smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCC[NH2+]C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C(C)(C)C ZINC001332859793 1149905889 /nfs/dbraw/zinc/90/58/89/1149905889.db2.gz KCKPMFWDYUAQGJ-DLBZAZTESA-N 1 3 321.509 2.395 20 30 DEEDHO C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291724 776948318 /nfs/dbraw/zinc/94/83/18/776948318.db2.gz SFIYKPMKXZVPMU-KBAYOESNSA-N 1 3 321.509 2.367 20 30 DEEDHO C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001104346766 777089426 /nfs/dbraw/zinc/08/94/26/777089426.db2.gz IWRNLWIAOYSUTJ-BPLDGKMQSA-N 1 3 315.889 2.153 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107114 779705629 /nfs/dbraw/zinc/70/56/29/779705629.db2.gz HMEVEGIRMASBHY-SJORKVTESA-N 1 3 319.493 2.075 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107114 779705636 /nfs/dbraw/zinc/70/56/36/779705636.db2.gz HMEVEGIRMASBHY-SJORKVTESA-N 1 3 319.493 2.075 20 30 DEEDHO C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCN2CCC)C1 ZINC001088323396 779952095 /nfs/dbraw/zinc/95/20/95/779952095.db2.gz NDIWDDHPTYCXGA-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001075876226 780041710 /nfs/dbraw/zinc/04/17/10/780041710.db2.gz MSMYUOCIOKNNKB-RCCFBDPRSA-N 1 3 319.493 2.073 20 30 DEEDHO C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001075876226 780041717 /nfs/dbraw/zinc/04/17/17/780041717.db2.gz MSMYUOCIOKNNKB-RCCFBDPRSA-N 1 3 319.493 2.073 20 30 DEEDHO C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC000968855777 784621012 /nfs/dbraw/zinc/62/10/12/784621012.db2.gz AHHZILIVDMBILG-MSOLQXFVSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC000968855777 784621018 /nfs/dbraw/zinc/62/10/18/784621018.db2.gz AHHZILIVDMBILG-MSOLQXFVSA-N 1 3 319.493 2.243 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001007334945 784890867 /nfs/dbraw/zinc/89/08/67/784890867.db2.gz YDYSNHPBWMOHHJ-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001007334945 784890874 /nfs/dbraw/zinc/89/08/74/784890874.db2.gz YDYSNHPBWMOHHJ-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCN1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001007751407 784991965 /nfs/dbraw/zinc/99/19/65/784991965.db2.gz ZHGBGKNCLDFXOX-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCN1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001007751407 784991968 /nfs/dbraw/zinc/99/19/68/784991968.db2.gz ZHGBGKNCLDFXOX-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108831696 785559353 /nfs/dbraw/zinc/55/93/53/785559353.db2.gz IZWDBBOEZPUMIR-KKUMJFAQSA-N 1 3 313.873 2.048 20 30 DEEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001109463939 785888264 /nfs/dbraw/zinc/88/82/64/785888264.db2.gz DRXGLQONLLHDIE-PMPSAXMXSA-N 1 3 307.482 2.404 20 30 DEEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001109463939 785888268 /nfs/dbraw/zinc/88/82/68/785888268.db2.gz DRXGLQONLLHDIE-PMPSAXMXSA-N 1 3 307.482 2.404 20 30 DEEDHO C=CCC[C@H](C)N1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001113676556 786755855 /nfs/dbraw/zinc/75/58/55/786755855.db2.gz XCCIUQSXZUPIJM-KRWDZBQOSA-N 1 3 307.482 2.361 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001015060041 786882209 /nfs/dbraw/zinc/88/22/09/786882209.db2.gz RMFQHMGBEQIZTM-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001015060041 786882219 /nfs/dbraw/zinc/88/22/19/786882219.db2.gz RMFQHMGBEQIZTM-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C ZINC001133121760 788288045 /nfs/dbraw/zinc/28/80/45/788288045.db2.gz KZCCXBPCCGAPPL-DLBZAZTESA-N 1 3 321.509 2.369 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1C ZINC001133197538 788313956 /nfs/dbraw/zinc/31/39/56/788313956.db2.gz ZLUFUOSWRIUJIH-QZTJIDSGSA-N 1 3 321.509 2.369 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001147725072 791607199 /nfs/dbraw/zinc/60/71/99/791607199.db2.gz RIMJEXCCHQQEBO-MRXNPFEDSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001147725072 791607205 /nfs/dbraw/zinc/60/72/05/791607205.db2.gz RIMJEXCCHQQEBO-MRXNPFEDSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@]2(C)C1 ZINC001091673077 791686393 /nfs/dbraw/zinc/68/63/93/791686393.db2.gz XZOMBXOZSDWJOE-APWZRJJASA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@]2(C)C1 ZINC001091673077 791686400 /nfs/dbraw/zinc/68/64/00/791686400.db2.gz XZOMBXOZSDWJOE-APWZRJJASA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091758656 791813505 /nfs/dbraw/zinc/81/35/05/791813505.db2.gz HOEGNYKMEFUXJD-AOIWGVFYSA-N 1 3 321.509 2.319 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091758656 791813509 /nfs/dbraw/zinc/81/35/09/791813509.db2.gz HOEGNYKMEFUXJD-AOIWGVFYSA-N 1 3 321.509 2.319 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@]2(C)C1 ZINC001091780500 791886478 /nfs/dbraw/zinc/88/64/78/791886478.db2.gz MZPKRTFXCIAMFV-NUJGCVRESA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@]2(C)C1 ZINC001091780500 791886484 /nfs/dbraw/zinc/88/64/84/791886484.db2.gz MZPKRTFXCIAMFV-NUJGCVRESA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013195 791922699 /nfs/dbraw/zinc/92/26/99/791922699.db2.gz LNBVBLXMBSEOFK-SCTDSRPQSA-N 1 3 319.493 2.075 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013195 791922703 /nfs/dbraw/zinc/92/27/03/791922703.db2.gz LNBVBLXMBSEOFK-SCTDSRPQSA-N 1 3 319.493 2.075 20 30 DEEDHO C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001101550578 793226047 /nfs/dbraw/zinc/22/60/47/793226047.db2.gz PDGOYCCLBFRWKR-QGZVFWFLSA-N 1 3 321.509 2.204 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001103443713 794093495 /nfs/dbraw/zinc/09/34/95/794093495.db2.gz IIPNUFRFYKLGES-ZACQAIPSSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001103443713 794093502 /nfs/dbraw/zinc/09/35/02/794093502.db2.gz IIPNUFRFYKLGES-ZACQAIPSSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755484 794214660 /nfs/dbraw/zinc/21/46/60/794214660.db2.gz IRBBSAUEPBHJKO-IAGOWNOFSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755484 794214666 /nfs/dbraw/zinc/21/46/66/794214666.db2.gz IRBBSAUEPBHJKO-IAGOWNOFSA-N 1 3 309.498 2.367 20 30 DEEDHO CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001176760104 794498563 /nfs/dbraw/zinc/49/85/63/794498563.db2.gz QAXPKXOPVGGYEG-DLBZAZTESA-N 1 3 307.482 2.149 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001120440899 795460957 /nfs/dbraw/zinc/46/09/57/795460957.db2.gz UXJMUOQBGQOBES-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001120440899 795460963 /nfs/dbraw/zinc/46/09/63/795460963.db2.gz UXJMUOQBGQOBES-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001120470195 795467255 /nfs/dbraw/zinc/46/72/55/795467255.db2.gz PAYWHMNJAZKNNG-IAGOWNOFSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001120470195 795467261 /nfs/dbraw/zinc/46/72/61/795467261.db2.gz PAYWHMNJAZKNNG-IAGOWNOFSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCC[NH2+]C[C@]1(C)CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001182623284 795713562 /nfs/dbraw/zinc/71/35/62/795713562.db2.gz GFOPKAKTKNHHNV-VQIMIIECSA-N 1 3 321.509 2.369 20 30 DEEDHO C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001182614984 795722313 /nfs/dbraw/zinc/72/23/13/795722313.db2.gz SXYYUJLYKIKEOH-SOLBZPMBSA-N 1 3 307.482 2.121 20 30 DEEDHO C#CCN1CCC(C(=O)NCC[NH2+]CC2CCCCCC2)CC1 ZINC001152324385 797171484 /nfs/dbraw/zinc/17/14/84/797171484.db2.gz SZEXBXIJJRUWKM-UHFFFAOYSA-N 1 3 319.493 2.008 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CCC(=C)C)CC1 ZINC001157092063 798142226 /nfs/dbraw/zinc/14/22/26/798142226.db2.gz IHJPWBIYUYHFON-QGZVFWFLSA-N 1 3 319.493 2.124 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CCC(=C)C)CC1 ZINC001157092063 798142231 /nfs/dbraw/zinc/14/22/31/798142231.db2.gz IHJPWBIYUYHFON-QGZVFWFLSA-N 1 3 319.493 2.124 20 30 DEEDHO C=CCN1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001160986027 798774797 /nfs/dbraw/zinc/77/47/97/798774797.db2.gz KYCNZTKIHVLOGP-GOSISDBHSA-N 1 3 319.493 2.433 20 30 DEEDHO C=CCN1CC=C(CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001160986027 798774801 /nfs/dbraw/zinc/77/48/01/798774801.db2.gz KYCNZTKIHVLOGP-GOSISDBHSA-N 1 3 319.493 2.433 20 30 DEEDHO C=C(C)C[N@H+]1CC=C(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001161214251 798811707 /nfs/dbraw/zinc/81/17/07/798811707.db2.gz WBKBBCYCHLODMG-MRXNPFEDSA-N 1 3 305.466 2.043 20 30 DEEDHO C=C(C)C[N@@H+]1CC=C(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001161214251 798811712 /nfs/dbraw/zinc/81/17/12/798811712.db2.gz WBKBBCYCHLODMG-MRXNPFEDSA-N 1 3 305.466 2.043 20 30 DEEDHO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203651173 800099074 /nfs/dbraw/zinc/09/90/74/800099074.db2.gz LWQVCIVBHDTMDB-HOTGVXAUSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203649318 800099356 /nfs/dbraw/zinc/09/93/56/800099356.db2.gz AJRCLHOOMXRZRH-HOTGVXAUSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(Cl)C[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001205457633 800359016 /nfs/dbraw/zinc/35/90/16/800359016.db2.gz HXBSUELSYUAHGI-UHFFFAOYSA-N 1 3 313.873 2.051 20 30 DEEDHO C=C(C)C[NH2+]CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001206288512 800502487 /nfs/dbraw/zinc/50/24/87/800502487.db2.gz UNEYJKWFINOZBK-UHFFFAOYSA-N 1 3 307.482 2.123 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001209950268 801312033 /nfs/dbraw/zinc/31/20/33/801312033.db2.gz DMKZEYRUMIWQDB-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1C ZINC001214611186 801739213 /nfs/dbraw/zinc/73/92/13/801739213.db2.gz SGTHUQJHTGGYHQ-ZACQAIPSSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001214634229 801742481 /nfs/dbraw/zinc/74/24/81/801742481.db2.gz GDFKMUHTXWIOSV-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCC[NH+]1CCC(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001223203412 802773330 /nfs/dbraw/zinc/77/33/30/802773330.db2.gz XHXQWVCVADZBCI-UHFFFAOYSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001223466380 802792158 /nfs/dbraw/zinc/79/21/58/802792158.db2.gz RKGQGCLSDVGGJS-QGZVFWFLSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCCC[NH+]1CCC(CNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001223472946 802792811 /nfs/dbraw/zinc/79/28/11/802792811.db2.gz YLSDRBOFHVOHPD-KRWDZBQOSA-N 1 3 307.482 2.121 20 30 DEEDHO C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)N(CC)CC)C[C@@H]21 ZINC001223489275 802795141 /nfs/dbraw/zinc/79/51/41/802795141.db2.gz LPVGJSXOPQAINX-SQNIBIBYSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)N(CC)CC)C[C@@H]21 ZINC001223489275 802795146 /nfs/dbraw/zinc/79/51/46/802795146.db2.gz LPVGJSXOPQAINX-SQNIBIBYSA-N 1 3 319.493 2.053 20 30 DEEDHO C=C(C)CC[NH+]1CCC(C)(NC(=O)CN(C)C2CCC2)CC1 ZINC001499985412 1058416378 /nfs/dbraw/zinc/41/63/78/1058416378.db2.gz RXFYGVMRXMHHTE-UHFFFAOYSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[NH2+]C[C@H](NC(=O)Cc1nc[nH]c1C)C1CCCC1 ZINC001500123364 1058505754 /nfs/dbraw/zinc/50/57/54/1058505754.db2.gz WTFSUEYKCLTKRW-INIZCTEOSA-N 1 3 304.438 2.101 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C1CCC1 ZINC001479565857 1061507107 /nfs/dbraw/zinc/50/71/07/1061507107.db2.gz VZUVRFXXUVWHTD-WBVHZDCISA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H](CC)N(C)C ZINC001479600039 1061517140 /nfs/dbraw/zinc/51/71/40/1061517140.db2.gz LGERAUSIAPCDPL-KZNAEPCWSA-N 1 3 321.509 2.347 20 30 DEEDHO C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H](CC)N(C)C ZINC001479600037 1061517793 /nfs/dbraw/zinc/51/77/93/1061517793.db2.gz LGERAUSIAPCDPL-FGTMMUONSA-N 1 3 321.509 2.347 20 30 DEEDHO C#CC[NH2+]CC1(NC(=O)[C@H](C)N2CCCCCC2)CCCCC1 ZINC001506522680 1062078388 /nfs/dbraw/zinc/07/83/88/1062078388.db2.gz VXGDFTHKKZMSJJ-KRWDZBQOSA-N 1 3 319.493 2.293 20 30 DEEDHO C=CCC[NH2+][C@H](CNC(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC001480049351 1062240774 /nfs/dbraw/zinc/24/07/74/1062240774.db2.gz BQCAZPPOKGHBNC-DOTOQJQBSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCC[NH2+][C@H](CNC(=O)[C@@H](C)N1CCCCCC1)C1CC1 ZINC001480049352 1062240939 /nfs/dbraw/zinc/24/09/39/1062240939.db2.gz BQCAZPPOKGHBNC-NVXWUHKLSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCCC[N@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001506866309 1062448621 /nfs/dbraw/zinc/44/86/21/1062448621.db2.gz ULSQLFHMUJAJLW-QGZVFWFLSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCCC[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001506866309 1062448629 /nfs/dbraw/zinc/44/86/29/1062448629.db2.gz ULSQLFHMUJAJLW-QGZVFWFLSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001480385271 1062772389 /nfs/dbraw/zinc/77/23/89/1062772389.db2.gz ZMCANHLFJYEELH-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001480385271 1062772409 /nfs/dbraw/zinc/77/24/09/1062772409.db2.gz ZMCANHLFJYEELH-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCCN1C(C)C)C(C)(C)C ZINC001508020134 1063499932 /nfs/dbraw/zinc/49/99/32/1063499932.db2.gz FNSZEDUTLBRYER-SJORKVTESA-N 1 3 321.509 2.393 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001493206129 1063635014 /nfs/dbraw/zinc/63/50/14/1063635014.db2.gz DVXBPYMFXZZPDO-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001493206129 1063635009 /nfs/dbraw/zinc/63/50/09/1063635009.db2.gz DVXBPYMFXZZPDO-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCN[C@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)c1ccccc1 ZINC001567660317 1064325963 /nfs/dbraw/zinc/32/59/63/1064325963.db2.gz YDXMLQXWVDOFJH-QZTJIDSGSA-N 1 3 315.461 2.494 20 30 DEEDHO C=CCN[C@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)c1ccccc1 ZINC001567660317 1064325972 /nfs/dbraw/zinc/32/59/72/1064325972.db2.gz YDXMLQXWVDOFJH-QZTJIDSGSA-N 1 3 315.461 2.494 20 30 DEEDHO C=CCN[C@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)c1ccccc1 ZINC001567660316 1064326129 /nfs/dbraw/zinc/32/61/29/1064326129.db2.gz YDXMLQXWVDOFJH-MSOLQXFVSA-N 1 3 315.461 2.494 20 30 DEEDHO C=CCN[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)c1ccccc1 ZINC001567660316 1064326143 /nfs/dbraw/zinc/32/61/43/1064326143.db2.gz YDXMLQXWVDOFJH-MSOLQXFVSA-N 1 3 315.461 2.494 20 30 DEEDHO C#CCC[NH2+]C[C@]1(NC(=O)CN(C)C(C)C)CCCC[C@H]1C ZINC001568043885 1064614647 /nfs/dbraw/zinc/61/46/47/1064614647.db2.gz QEVFAFQCGMPICH-SJLPKXTDSA-N 1 3 307.482 2.005 20 30 DEEDHO C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@H](CC)N(C)C)cc1 ZINC001568121700 1064657989 /nfs/dbraw/zinc/65/79/89/1064657989.db2.gz LBDUWMKUGDVQLO-KRWDZBQOSA-N 1 3 303.450 2.309 20 30 DEEDHO C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H](CC)N(C)C)cc1 ZINC001568121701 1064658788 /nfs/dbraw/zinc/65/87/88/1064658788.db2.gz LBDUWMKUGDVQLO-QGZVFWFLSA-N 1 3 303.450 2.309 20 30 DEEDHO C=CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001568424572 1064861811 /nfs/dbraw/zinc/86/18/11/1064861811.db2.gz SOJUAPHWOQAWBL-RDJZCZTQSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001569247393 1065393840 /nfs/dbraw/zinc/39/38/40/1065393840.db2.gz NOUDERPQNGYIPI-LSDHHAIUSA-N 1 3 313.873 2.194 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001569247393 1065393847 /nfs/dbraw/zinc/39/38/47/1065393847.db2.gz NOUDERPQNGYIPI-LSDHHAIUSA-N 1 3 313.873 2.194 20 30 DEEDHO C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001569477908 1065533422 /nfs/dbraw/zinc/53/34/22/1065533422.db2.gz OITPLRWEIRNQSO-SFHVURJKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001569477908 1065533438 /nfs/dbraw/zinc/53/34/38/1065533438.db2.gz OITPLRWEIRNQSO-SFHVURJKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@@H+](C)CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001496782196 1065709777 /nfs/dbraw/zinc/70/97/77/1065709777.db2.gz WVDNXUUMXKCHDE-QGZVFWFLSA-N 1 3 313.461 2.165 20 30 DEEDHO C=CCC[N@H+](C)CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001496782196 1065709793 /nfs/dbraw/zinc/70/97/93/1065709793.db2.gz WVDNXUUMXKCHDE-QGZVFWFLSA-N 1 3 313.461 2.165 20 30 DEEDHO C=CCN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001569802691 1065725839 /nfs/dbraw/zinc/72/58/39/1065725839.db2.gz YWSCEQMESOGBIP-AEFFLSMTSA-N 1 3 315.461 2.134 20 30 DEEDHO C=CCN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001569802691 1065725848 /nfs/dbraw/zinc/72/58/48/1065725848.db2.gz YWSCEQMESOGBIP-AEFFLSMTSA-N 1 3 315.461 2.134 20 30 DEEDHO C=CCCC[NH2+]CC[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001570005678 1065876611 /nfs/dbraw/zinc/87/66/11/1065876611.db2.gz MJSAIPSICNNBBW-SJORKVTESA-N 1 3 307.482 2.123 20 30 DEEDHO CC#CCNC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001570090968 1065919953 /nfs/dbraw/zinc/91/99/53/1065919953.db2.gz LCNDHNHYKDRLLY-ZWKOTPCHSA-N 1 3 319.493 2.245 20 30 DEEDHO CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C)N1CCCCCC1 ZINC001570090968 1065919963 /nfs/dbraw/zinc/91/99/63/1065919963.db2.gz LCNDHNHYKDRLLY-ZWKOTPCHSA-N 1 3 319.493 2.245 20 30 DEEDHO C=C(C)C[NH2+]C1(CNC(=O)[C@H](C(C)C)N2CCCCC2)CC1 ZINC001499458523 1067227905 /nfs/dbraw/zinc/22/79/05/1067227905.db2.gz HGHRLOIAOGUGQC-INIZCTEOSA-N 1 3 307.482 2.311 20 30 DEEDHO C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267460459 1078870008 /nfs/dbraw/zinc/87/00/08/1078870008.db2.gz VUMJCVACXNNPBI-MSOLQXFVSA-N 1 3 319.493 2.195 20 30 DEEDHO C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001267460459 1078870015 /nfs/dbraw/zinc/87/00/15/1078870015.db2.gz VUMJCVACXNNPBI-MSOLQXFVSA-N 1 3 319.493 2.195 20 30 DEEDHO C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCN1C ZINC001483803922 1079133909 /nfs/dbraw/zinc/13/39/09/1079133909.db2.gz CHCGVEJFJYVFDK-NPYXIHBLSA-N 1 3 305.466 2.158 20 30 DEEDHO C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001483849491 1079150070 /nfs/dbraw/zinc/15/00/70/1079150070.db2.gz WXCQDALDPJKFAQ-WMZOPIPTSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001483849491 1079150073 /nfs/dbraw/zinc/15/00/73/1079150073.db2.gz WXCQDALDPJKFAQ-WMZOPIPTSA-N 1 3 307.482 2.217 20 30 DEEDHO C#CCN(C(=O)CN1[C@H](C)CC[C@@H]1C)C1CC[NH+](CCC)CC1 ZINC001483989600 1079227873 /nfs/dbraw/zinc/22/78/73/1079227873.db2.gz PODFJZKPDWONQB-CALCHBBNSA-N 1 3 319.493 2.195 20 30 DEEDHO C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001484124925 1079314213 /nfs/dbraw/zinc/31/42/13/1079314213.db2.gz KPBDKVHJSAIWSA-SJLPKXTDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001484160430 1079335441 /nfs/dbraw/zinc/33/54/41/1079335441.db2.gz FXIHHYQZQFRFQA-FUHWJXTLSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001484160430 1079335447 /nfs/dbraw/zinc/33/54/47/1079335447.db2.gz FXIHHYQZQFRFQA-FUHWJXTLSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CN(C)CCC)C2)CC1 ZINC001565921526 1075077637 /nfs/dbraw/zinc/07/76/37/1075077637.db2.gz HNJFNKZFGCATBC-KRWDZBQOSA-N 1 3 319.493 2.055 20 30 DEEDHO C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001567054173 1075423893 /nfs/dbraw/zinc/42/38/93/1075423893.db2.gz LSCWLGBVDUQVJO-RHSMWYFYSA-N 1 3 313.461 2.259 20 30 DEEDHO C=C(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001484339102 1079549624 /nfs/dbraw/zinc/54/96/24/1079549624.db2.gz STMRKCXKDWWDGG-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001657101722 1080156791 /nfs/dbraw/zinc/15/67/91/1080156791.db2.gz GMESRFBAFVUERZ-HOTGVXAUSA-N 1 3 309.498 2.365 20 30 DEEDHO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001657101722 1080156793 /nfs/dbraw/zinc/15/67/93/1080156793.db2.gz GMESRFBAFVUERZ-HOTGVXAUSA-N 1 3 309.498 2.365 20 30 DEEDHO C=CCCC[NH+]1CC(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001481660670 1080265317 /nfs/dbraw/zinc/26/53/17/1080265317.db2.gz LGALMOKJWOEIHQ-UHFFFAOYSA-N 1 3 315.461 2.376 20 30 DEEDHO C=C(C)C[NH2+]Cc1ccc(CNC(=O)CN(C)C2CCC2)cc1 ZINC001482031333 1080710461 /nfs/dbraw/zinc/71/04/61/1080710461.db2.gz JUWMZQLOPPQISO-UHFFFAOYSA-N 1 3 315.461 2.453 20 30 DEEDHO C=CCN1CCC[C@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001671916103 1081550399 /nfs/dbraw/zinc/55/03/99/1081550399.db2.gz FABNCHXPROIXDL-GOSISDBHSA-N 1 3 307.482 2.267 20 30 DEEDHO CC#CCN1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001674154776 1081849699 /nfs/dbraw/zinc/84/96/99/1081849699.db2.gz MJVVRWWUGZADND-QZTJIDSGSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001271741076 1082143741 /nfs/dbraw/zinc/14/37/41/1082143741.db2.gz WARCLNHABSKGKQ-GDBMZVCRSA-N 1 3 304.438 2.135 20 30 DEEDHO C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001409444821 1082891734 /nfs/dbraw/zinc/89/17/34/1082891734.db2.gz KCFNRGDZYAASCO-ZDUSSCGKSA-N 1 3 315.889 2.155 20 30 DEEDHO C=CC[NH2+]CCN1CCN[C@H](c2cccc(Br)c2)C1 ZINC001235794219 1084531428 /nfs/dbraw/zinc/53/14/28/1084531428.db2.gz KFYYRTXJAJSJIL-HNNXBMFYSA-N 1 3 324.266 2.171 20 30 DEEDHO C=C(C)C[NH2+]C1CC2(CC(NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000965933262 1085701526 /nfs/dbraw/zinc/70/15/26/1085701526.db2.gz WFPYFGFOXOCYFA-WLOQGADPSA-N 1 3 319.493 2.452 20 30 DEEDHO C=CC[NH+]1CCC2(CCN(C(=O)C3(N(C)C)CCC3)CC2)CC1 ZINC000957559105 1088406562 /nfs/dbraw/zinc/40/65/62/1088406562.db2.gz BNIVZMAUTUTGEB-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC000957612056 1088458827 /nfs/dbraw/zinc/45/88/27/1088458827.db2.gz HPCUHUHMHCPJGO-UHFFFAOYSA-N 1 3 316.449 2.233 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)C[C@@H]21 ZINC001084938732 1090530978 /nfs/dbraw/zinc/53/09/78/1090530978.db2.gz COBZTGRLDLQVII-KURKYZTESA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)C[C@@H]21 ZINC001084938732 1090530983 /nfs/dbraw/zinc/53/09/83/1090530983.db2.gz COBZTGRLDLQVII-KURKYZTESA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957744 1090546481 /nfs/dbraw/zinc/54/64/81/1090546481.db2.gz UJJMWSSBANMRRM-KURKYZTESA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957744 1090546484 /nfs/dbraw/zinc/54/64/84/1090546484.db2.gz UJJMWSSBANMRRM-KURKYZTESA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@@H]21 ZINC001084977853 1090556756 /nfs/dbraw/zinc/55/67/56/1090556756.db2.gz IOUIGSZKKMJLOS-SQNIBIBYSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@@H]21 ZINC001084977853 1090556765 /nfs/dbraw/zinc/55/67/65/1090556765.db2.gz IOUIGSZKKMJLOS-SQNIBIBYSA-N 1 3 319.493 2.216 20 30 DEEDHO CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCCCN1CC)C(C)C ZINC001276146730 1091597553 /nfs/dbraw/zinc/59/75/53/1091597553.db2.gz JAWABXBEIYLURJ-ZWKOTPCHSA-N 1 3 321.509 2.347 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001493125940 1092300070 /nfs/dbraw/zinc/30/00/70/1092300070.db2.gz WXIIXZDBLGWZFG-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001493125940 1092300083 /nfs/dbraw/zinc/30/00/83/1092300083.db2.gz WXIIXZDBLGWZFG-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001488916312 1092815931 /nfs/dbraw/zinc/81/59/31/1092815931.db2.gz QTIOKQPVEKIWNR-UONOGXRCSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(C)CN1CC[C@H](N(CC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001318490831 1140347361 /nfs/dbraw/zinc/34/73/61/1140347361.db2.gz DKKFYMJQDBGYHO-KRWDZBQOSA-N 1 3 307.482 2.361 20 30 DEEDHO CC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001322347743 1141539011 /nfs/dbraw/zinc/53/90/11/1141539011.db2.gz VJISFAPZBRPXIR-SJORKVTESA-N 1 3 319.493 2.149 20 30 DEEDHO C=C[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001252571758 1142767988 /nfs/dbraw/zinc/76/79/88/1142767988.db2.gz JSKJYNARNBDTJQ-OKYOBFRVSA-N 1 3 300.446 2.424 20 30 DEEDHO C=CCC[C@@H](O)C[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001252619344 1142791244 /nfs/dbraw/zinc/79/12/44/1142791244.db2.gz LTTUCWIIJOVZSS-GOSISDBHSA-N 1 3 303.450 2.210 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCCCCCC1CC[NH2+]CC1 ZINC001342545497 1143822836 /nfs/dbraw/zinc/82/28/36/1143822836.db2.gz VNVQWCXXJZBJHZ-CQSZACIVSA-N 1 3 301.862 2.133 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCCCCN(C(=O)CN(C)C2CCC2)C1 ZINC001264677531 1144591544 /nfs/dbraw/zinc/59/15/44/1144591544.db2.gz CHCCIUDGFPIDCG-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCCCC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001265910757 1144755876 /nfs/dbraw/zinc/75/58/76/1144755876.db2.gz NLMSZCNGQVODFU-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266116928 1144807103 /nfs/dbraw/zinc/80/71/03/1144807103.db2.gz OXABMKFHFMSOBZ-IAGOWNOFSA-N 1 3 309.498 2.462 20 30 DEEDHO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266116928 1144807104 /nfs/dbraw/zinc/80/71/04/1144807104.db2.gz OXABMKFHFMSOBZ-IAGOWNOFSA-N 1 3 309.498 2.462 20 30 DEEDHO C=CC[NH2+]CCN(Cc1ccccc1)C(=O)CN1CC[C@H](C)C1 ZINC001279318794 1144820686 /nfs/dbraw/zinc/82/06/86/1144820686.db2.gz QPBVCZFXSPYPIC-KRWDZBQOSA-N 1 3 315.461 2.133 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001280455594 1144840685 /nfs/dbraw/zinc/84/06/85/1144840685.db2.gz RKEDJOJFKBFUFT-QGZVFWFLSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001366424585 1147264573 /nfs/dbraw/zinc/26/45/73/1147264573.db2.gz HBUJSMDOMTXXJF-ZIAGYGMSSA-N 1 3 301.862 2.096 20 30 DEEDHO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001316812476 1147583261 /nfs/dbraw/zinc/58/32/61/1147583261.db2.gz WVRGRFPFWBGEBC-DLBZAZTESA-N 1 3 321.509 2.203 20 30 DEEDHO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001316812476 1147583264 /nfs/dbraw/zinc/58/32/64/1147583264.db2.gz WVRGRFPFWBGEBC-DLBZAZTESA-N 1 3 321.509 2.203 20 30 DEEDHO C=CCC[NH+]1CCC(N(CCC)C(=O)Cc2c[nH]cn2)CC1 ZINC001317005139 1147647337 /nfs/dbraw/zinc/64/73/37/1147647337.db2.gz DLXAKQZLKHZRJS-UHFFFAOYSA-N 1 3 304.438 2.231 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001367186978 1147661838 /nfs/dbraw/zinc/66/18/38/1147661838.db2.gz LMAFUIJFLMTQNI-HDJSIYSDSA-N 1 3 313.873 2.240 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001317294733 1147686561 /nfs/dbraw/zinc/68/65/61/1147686561.db2.gz PWZWLNCRNKCTDL-IRXDYDNUSA-N 1 3 321.509 2.108 20 30 DEEDHO C=C(C)CC[N@H+](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001317461826 1147712129 /nfs/dbraw/zinc/71/21/29/1147712129.db2.gz RPHOUFUMUIELCC-QGZVFWFLSA-N 1 3 313.461 2.213 20 30 DEEDHO C=C(C)CC[N@@H+](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001317461826 1147712130 /nfs/dbraw/zinc/71/21/30/1147712130.db2.gz RPHOUFUMUIELCC-QGZVFWFLSA-N 1 3 313.461 2.213 20 30 DEEDHO CN1CCN(CC2(C)CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC000339089340 530071722 /nfs/dbraw/zinc/07/17/22/530071722.db2.gz RSAIEODOAODKEW-SJORKVTESA-N 1 3 304.482 2.028 20 30 DEEDHO CN(Cc1cc(C#N)cs1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000589195638 357454711 /nfs/dbraw/zinc/45/47/11/357454711.db2.gz OIBXDNPXARNIKG-MRXNPFEDSA-N 1 3 318.490 2.220 20 30 DEEDHO C[C@@H](NC1CCN(Cc2cccc(C#N)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000593321948 358054620 /nfs/dbraw/zinc/05/46/20/358054620.db2.gz JZTLPHOFXCNMOQ-BEFAXECRSA-N 1 3 312.461 2.253 20 30 DEEDHO C=CCOc1ccc(CN[C@H]2CC23CC[NH2+]CC3)cc1OC ZINC000666950806 540368914 /nfs/dbraw/zinc/36/89/14/540368914.db2.gz JHXUGAQSEAISIK-KRWDZBQOSA-N 1 3 302.418 2.492 20 30 DEEDHO N#Cc1ccc(CN2CCC(NCC3([NH3+])CCCC3)CC2)cc1 ZINC000596648014 358732259 /nfs/dbraw/zinc/73/22/59/358732259.db2.gz FWHNZUYEXURCHJ-UHFFFAOYSA-N 1 3 312.461 2.384 20 30 DEEDHO N#Cc1ccc(CN2CCC([NH2+]CC3(N)CCCC3)CC2)cc1 ZINC000596648014 358732262 /nfs/dbraw/zinc/73/22/62/358732262.db2.gz FWHNZUYEXURCHJ-UHFFFAOYSA-N 1 3 312.461 2.384 20 30 DEEDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(C#N)cc1 ZINC000181857010 299297165 /nfs/dbraw/zinc/29/71/65/299297165.db2.gz ZOMBBSZIWHLSCC-HNNXBMFYSA-N 1 3 300.450 2.235 20 30 DEEDHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(C#N)c(F)c1 ZINC000537406661 284992493 /nfs/dbraw/zinc/99/24/93/284992493.db2.gz GAKSEZXXIQLDLJ-HNNXBMFYSA-N 1 3 318.440 2.376 20 30 DEEDHO CC(C)c1cccc(NC(=[NH2+])NCCN2CCCN(C)CC2)c1 ZINC000104175092 402199745 /nfs/dbraw/zinc/19/97/45/402199745.db2.gz MKWMYCZZUHHBIP-UHFFFAOYSA-N 1 3 317.481 2.174 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000171592868 402598365 /nfs/dbraw/zinc/59/83/65/402598365.db2.gz SGCWHVJVQFRJRX-UHFFFAOYSA-N 1 3 322.497 2.202 20 30 DEEDHO N#Cc1ccc(CC(C#N)C(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000280977628 403056191 /nfs/dbraw/zinc/05/61/91/403056191.db2.gz ZSJFTQYIZQLNLI-SFHVURJKSA-N 1 3 324.428 2.233 20 30 DEEDHO CN(CC1CC[NH+](C)CC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281065274 403057819 /nfs/dbraw/zinc/05/78/19/403057819.db2.gz ZJXDZPWOJLANJD-SFHVURJKSA-N 1 3 324.428 2.041 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000292408166 403359593 /nfs/dbraw/zinc/35/95/93/403359593.db2.gz YECOBWLVOIAYGC-DJIMGWMZSA-N 1 3 318.440 2.460 20 30 DEEDHO C=CCN1CCC(NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000358798292 404776103 /nfs/dbraw/zinc/77/61/03/404776103.db2.gz ZTKGTUUCCSFHFD-INIZCTEOSA-N 1 3 322.497 2.201 20 30 DEEDHO C=CCN1CCC(NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000358798292 404776106 /nfs/dbraw/zinc/77/61/06/404776106.db2.gz ZTKGTUUCCSFHFD-INIZCTEOSA-N 1 3 322.497 2.201 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)C(C)C ZINC000417059221 405022514 /nfs/dbraw/zinc/02/25/14/405022514.db2.gz HUQMNUHRBVFKOU-BRWVUGGUSA-N 1 3 322.497 2.112 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)C(C)C ZINC000417059222 405022593 /nfs/dbraw/zinc/02/25/93/405022593.db2.gz HUQMNUHRBVFKOU-GVDBMIGSSA-N 1 3 322.497 2.112 20 30 DEEDHO CC[NH+](CC)[C@H](CNC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424058599 404988803 /nfs/dbraw/zinc/98/88/03/404988803.db2.gz LREXOQJHIRMVPY-IAGOWNOFSA-N 1 3 316.449 2.207 20 30 DEEDHO C#CCN1CCC(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)CC1 ZINC000491818804 406735658 /nfs/dbraw/zinc/73/56/58/406735658.db2.gz MAIRZWOXSACCPO-UHFFFAOYSA-N 1 3 313.445 2.340 20 30 DEEDHO C=CC[C@H]1CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000661379747 425395512 /nfs/dbraw/zinc/39/55/12/425395512.db2.gz ICQOQYCJTASOGH-INIZCTEOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[C@]1(C(=O)NCC(C)(C)N2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000662694698 425714832 /nfs/dbraw/zinc/71/48/32/425714832.db2.gz BGYOJQGKEYPIAY-MAUKXSAKSA-N 1 3 307.482 2.311 20 30 DEEDHO C[NH+]=C(NCCOC1CCCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262499902 276842131 /nfs/dbraw/zinc/84/21/31/276842131.db2.gz XYJSIDNBXNHOLO-MRXNPFEDSA-N 1 3 322.497 2.081 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C)C[NH+](CC)CC)CC1 ZINC000358303083 277775806 /nfs/dbraw/zinc/77/58/06/277775806.db2.gz VEVCWTSDKRRECV-HNNXBMFYSA-N 1 3 310.486 2.056 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@]1(CC)CC[NH2+]C1)C(C)C ZINC000370846157 277851934 /nfs/dbraw/zinc/85/19/34/277851934.db2.gz KMRIDLZAQMJDGR-AEFFLSMTSA-N 1 3 307.482 2.191 20 30 DEEDHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](N)CCCC#N)c1 ZINC000424140001 279137808 /nfs/dbraw/zinc/13/78/08/279137808.db2.gz VYDLPEKFJITFGB-KRWDZBQOSA-N 1 3 316.449 2.166 20 30 DEEDHO C[C@@H]1CN(CC2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)C[C@H](C)O1 ZINC000429684903 288153375 /nfs/dbraw/zinc/15/33/75/288153375.db2.gz NSELJFHWVRXRJG-CIRFHOKZSA-N 1 3 305.466 2.500 20 30 DEEDHO C=CCN1CCC(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)CC1 ZINC000185386405 337204632 /nfs/dbraw/zinc/20/46/32/337204632.db2.gz BKHHYXVIDKRUME-MRXNPFEDSA-N 1 3 322.497 2.201 20 30 DEEDHO N#Cc1ccc(N2CCC[C@H](N[C@H]3CCC[NH2+]CC3)C2)c(F)c1 ZINC000583078910 337236569 /nfs/dbraw/zinc/23/65/69/337236569.db2.gz ZGRZJDIYZVDLOS-HOTGVXAUSA-N 1 3 316.424 2.398 20 30 DEEDHO N#C[C@@H]1CCC[C@H](NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000248869444 341389029 /nfs/dbraw/zinc/38/90/29/341389029.db2.gz QKGUZYBZWMIHPB-LAVFITLUSA-N 1 3 305.466 2.426 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001397079439 1159950940 /nfs/dbraw/zinc/95/09/40/1159950940.db2.gz IRIKYTFIFUXGKB-OKILXGFUSA-N 1 3 313.873 2.098 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3CCC)[C@@H]2C1 ZINC001330296235 1149087983 /nfs/dbraw/zinc/08/79/83/1149087983.db2.gz KSIHNTPTNFZLMI-FJIDUMEYSA-N 1 3 319.493 2.121 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3CCC)[C@@H]2C1 ZINC001330296235 1149087993 /nfs/dbraw/zinc/08/79/93/1149087993.db2.gz KSIHNTPTNFZLMI-FJIDUMEYSA-N 1 3 319.493 2.121 20 30 DEEDHO C[NH+]=C(NCC1(N(C)C)CCCCCC1)N1CC[C@H](COC)C1 ZINC000262501073 526350601 /nfs/dbraw/zinc/35/06/01/526350601.db2.gz YJVSMKLUTDVCSC-INIZCTEOSA-N 1 3 324.513 2.185 20 30 DEEDHO C=CCNC(NC[C@@H]1CCCN(C)[C@H]1c1cccs1)=[NH+]C ZINC000262420258 526386960 /nfs/dbraw/zinc/38/69/60/526386960.db2.gz QVJULMZOROZZNE-DZGCQCFKSA-N 1 3 306.479 2.482 20 30 DEEDHO C=CC[C@@H](CC)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000341425633 527039047 /nfs/dbraw/zinc/03/90/47/527039047.db2.gz BAQKNQDGSAMHIQ-IAGOWNOFSA-N 1 3 324.513 2.399 20 30 DEEDHO C=CC[C@@H](CC)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000341425633 527039050 /nfs/dbraw/zinc/03/90/50/527039050.db2.gz BAQKNQDGSAMHIQ-IAGOWNOFSA-N 1 3 324.513 2.399 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CSc2ccccc21 ZINC000263123953 529073970 /nfs/dbraw/zinc/07/39/70/529073970.db2.gz MIAUENJAJRMVRT-UONOGXRCSA-N 1 3 318.490 2.265 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000193301812 529100646 /nfs/dbraw/zinc/10/06/46/529100646.db2.gz UDTUKYVISGJCPE-HRCADAONSA-N 1 3 304.413 2.070 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CSc2ccccc21 ZINC000263123946 529100830 /nfs/dbraw/zinc/10/08/30/529100830.db2.gz MIAUENJAJRMVRT-KBPBESRZSA-N 1 3 318.490 2.265 20 30 DEEDHO C=C(Cl)CNC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001382518588 1153460943 /nfs/dbraw/zinc/46/09/43/1153460943.db2.gz FLRLFSXLKSLCDZ-UONOGXRCSA-N 1 3 317.905 2.446 20 30 DEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000970918394 623790660 /nfs/dbraw/zinc/79/06/60/623790660.db2.gz UOADLKZYWXJMDS-OAHLLOKOSA-N 1 3 315.461 2.374 20 30 DEEDHO C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000971542154 624184979 /nfs/dbraw/zinc/18/49/79/624184979.db2.gz ZLOHOIQNEQZWBY-SJLPKXTDSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000971542154 624184980 /nfs/dbraw/zinc/18/49/80/624184980.db2.gz ZLOHOIQNEQZWBY-SJLPKXTDSA-N 1 3 319.493 2.360 20 30 DEEDHO C[C@@H](CNC(=[NH2+])NCCc1ccccc1)N1CCC(C)CC1 ZINC000104181342 624783496 /nfs/dbraw/zinc/78/34/96/624783496.db2.gz CXKZOQBJTCCMRZ-INIZCTEOSA-N 1 3 302.466 2.254 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001022806874 624937456 /nfs/dbraw/zinc/93/74/56/624937456.db2.gz COWGILAESLZFBS-ZNMIVQPWSA-N 1 3 313.873 2.239 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001022806874 624937457 /nfs/dbraw/zinc/93/74/57/624937457.db2.gz COWGILAESLZFBS-ZNMIVQPWSA-N 1 3 313.873 2.239 20 30 DEEDHO CC#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000997613765 633900749 /nfs/dbraw/zinc/90/07/49/633900749.db2.gz MQDVKBLJFXHZKJ-WMZOPIPTSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000997613765 633900762 /nfs/dbraw/zinc/90/07/62/633900762.db2.gz MQDVKBLJFXHZKJ-WMZOPIPTSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001027925536 634981785 /nfs/dbraw/zinc/98/17/85/634981785.db2.gz UBDKTIULJJVTDB-DLBZAZTESA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001027925536 634981788 /nfs/dbraw/zinc/98/17/88/634981788.db2.gz UBDKTIULJJVTDB-DLBZAZTESA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001027925537 634981804 /nfs/dbraw/zinc/98/18/04/634981804.db2.gz UBDKTIULJJVTDB-IAGOWNOFSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001027925537 634981805 /nfs/dbraw/zinc/98/18/05/634981805.db2.gz UBDKTIULJJVTDB-IAGOWNOFSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC000981091784 635304484 /nfs/dbraw/zinc/30/44/84/635304484.db2.gz QSKOFJBDIJSVPS-CVEARBPZSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CCN1CCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028045699 635362993 /nfs/dbraw/zinc/36/29/93/635362993.db2.gz OMGQCSFVOJHNHN-KRWDZBQOSA-N 1 3 315.461 2.171 20 30 DEEDHO C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC000982163854 635890440 /nfs/dbraw/zinc/89/04/40/635890440.db2.gz ZQRQLMRBMRVTRT-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC000982163854 635890442 /nfs/dbraw/zinc/89/04/42/635890442.db2.gz ZQRQLMRBMRVTRT-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982558051 636265719 /nfs/dbraw/zinc/26/57/19/636265719.db2.gz YDBGVMUJKZZHTD-YTQUADARSA-N 1 3 319.493 2.075 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982558051 636265722 /nfs/dbraw/zinc/26/57/22/636265722.db2.gz YDBGVMUJKZZHTD-YTQUADARSA-N 1 3 319.493 2.075 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004375753 636403321 /nfs/dbraw/zinc/40/33/21/636403321.db2.gz SKGWIZZQONCFIF-ZWKOTPCHSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004375753 636403326 /nfs/dbraw/zinc/40/33/26/636403326.db2.gz SKGWIZZQONCFIF-ZWKOTPCHSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946623743 636476573 /nfs/dbraw/zinc/47/65/73/636476573.db2.gz PGFNGIZQWXJEEI-CALCHBBNSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946623743 636476575 /nfs/dbraw/zinc/47/65/75/636476575.db2.gz PGFNGIZQWXJEEI-CALCHBBNSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946624014 636477288 /nfs/dbraw/zinc/47/72/88/636477288.db2.gz YNZHWAPBRQQMQT-FGTMMUONSA-N 1 3 319.493 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ZINC001006283186 637321965 /nfs/dbraw/zinc/32/19/65/637321965.db2.gz JSDOYWVYOAMCKW-WBVHZDCISA-N 1 3 307.482 2.216 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000900333571 642323726 /nfs/dbraw/zinc/32/37/26/642323726.db2.gz BXPONDIJYYPRQO-WMZOPIPTSA-N 1 3 315.461 2.446 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000901337187 642628038 /nfs/dbraw/zinc/62/80/38/642628038.db2.gz MRVSXMILTNGDIM-MRXNPFEDSA-N 1 3 303.450 2.131 20 30 DEEDHO C=CCN1CC[C@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC000992365819 646959442 /nfs/dbraw/zinc/95/94/42/646959442.db2.gz DIZZPBXPEWZIFQ-IEBWSBKVSA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)CN1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993480597 647684016 /nfs/dbraw/zinc/68/40/16/647684016.db2.gz QGLRGGBQAJTCQH-DLBZAZTESA-N 1 3 319.493 2.408 20 30 DEEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC000940944329 648975099 /nfs/dbraw/zinc/97/50/99/648975099.db2.gz QRYFHBAXHJNJJJ-MRXNPFEDSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC000940944329 648975102 /nfs/dbraw/zinc/97/51/02/648975102.db2.gz QRYFHBAXHJNJJJ-MRXNPFEDSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCN1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941079031 649000337 /nfs/dbraw/zinc/00/03/37/649000337.db2.gz KWXDSFWQIXUWCD-MRXNPFEDSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054197939 693879493 /nfs/dbraw/zinc/87/94/93/693879493.db2.gz LZXYETNYJREAPQ-MJGOQNOKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054197939 693879495 /nfs/dbraw/zinc/87/94/95/693879495.db2.gz LZXYETNYJREAPQ-MJGOQNOKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001054245494 693899045 /nfs/dbraw/zinc/89/90/45/693899045.db2.gz UFFCCLLPDIAFFI-IEBWSBKVSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001054245494 693899052 /nfs/dbraw/zinc/89/90/52/693899052.db2.gz UFFCCLLPDIAFFI-IEBWSBKVSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001028845559 688544911 /nfs/dbraw/zinc/54/49/11/688544911.db2.gz MLWJBYZXWGQRSP-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001028845559 688544914 /nfs/dbraw/zinc/54/49/14/688544914.db2.gz MLWJBYZXWGQRSP-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[NH+]1CC(CNC(=O)c2ccccc2CN(C)C)C1 ZINC001032206443 689082808 /nfs/dbraw/zinc/08/28/08/689082808.db2.gz AGCJUGUFGNXZMW-UHFFFAOYSA-N 1 3 315.461 2.376 20 30 DEEDHO C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033143816 689402629 /nfs/dbraw/zinc/40/26/29/689402629.db2.gz MJXALEGFYZKLRV-IRXDYDNUSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033143816 689402631 /nfs/dbraw/zinc/40/26/31/689402631.db2.gz MJXALEGFYZKLRV-IRXDYDNUSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000876718178 689914060 /nfs/dbraw/zinc/91/40/60/689914060.db2.gz MSNCKQDNQBYTCA-CQSZACIVSA-N 1 3 311.813 2.035 20 30 DEEDHO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000876732415 689920011 /nfs/dbraw/zinc/92/00/11/689920011.db2.gz VMLMAZVRPVQHJS-GJZGRUSLSA-N 1 3 309.841 2.184 20 30 DEEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000876776060 689934575 /nfs/dbraw/zinc/93/45/75/689934575.db2.gz DRYBXPBHDGMTQK-BPUTZDHNSA-N 1 3 321.852 2.236 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000876877077 689961709 /nfs/dbraw/zinc/96/17/09/689961709.db2.gz NCBCHXWXJCCBPF-AJNGGQMLSA-N 1 3 313.873 2.320 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000876884443 689963890 /nfs/dbraw/zinc/96/38/90/689963890.db2.gz JCFVSHBYQWCPDP-CYBMUJFWSA-N 1 3 315.870 2.108 20 30 DEEDHO N#CCCC[C@H](N)C(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877447648 690115999 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DEEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001038443124 690825154 /nfs/dbraw/zinc/82/51/54/690825154.db2.gz GEILTDUDIMYRIB-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001038443124 690825158 /nfs/dbraw/zinc/82/51/58/690825158.db2.gz GEILTDUDIMYRIB-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040423057 691245283 /nfs/dbraw/zinc/24/52/83/691245283.db2.gz QYGYNPCERJYEOX-SFHVURJKSA-N 1 3 316.449 2.233 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040423057 691245286 /nfs/dbraw/zinc/24/52/86/691245286.db2.gz QYGYNPCERJYEOX-SFHVURJKSA-N 1 3 316.449 2.233 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040423056 691245458 /nfs/dbraw/zinc/24/54/58/691245458.db2.gz QYGYNPCERJYEOX-GOSISDBHSA-N 1 3 316.449 2.233 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040423056 691245461 /nfs/dbraw/zinc/24/54/61/691245461.db2.gz QYGYNPCERJYEOX-GOSISDBHSA-N 1 3 316.449 2.233 20 30 DEEDHO C=CCC[C@@H]([NH2+]CCCN1CCN(CC)CC1)[C@@H]1CCCO1 ZINC000883172302 691447653 /nfs/dbraw/zinc/44/76/53/691447653.db2.gz CWQOWXTXRYISFF-MSOLQXFVSA-N 1 3 309.498 2.117 20 30 DEEDHO C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001045438126 691980641 /nfs/dbraw/zinc/98/06/41/691980641.db2.gz JUTSVDPEKXWIRE-INIZCTEOSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCN1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001045458781 691984270 /nfs/dbraw/zinc/98/42/70/691984270.db2.gz ODQMRAFATQEDLV-MRXNPFEDSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCN1CCC(C)(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001045458781 691984273 /nfs/dbraw/zinc/98/42/73/691984273.db2.gz ODQMRAFATQEDLV-MRXNPFEDSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001045948152 692060661 /nfs/dbraw/zinc/06/06/61/692060661.db2.gz WNXIEECKCFQVDA-AEFFLSMTSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001045948152 692060665 /nfs/dbraw/zinc/06/06/65/692060665.db2.gz WNXIEECKCFQVDA-AEFFLSMTSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001045963613 692063545 /nfs/dbraw/zinc/06/35/45/692063545.db2.gz LTMPZCGGGNRMOA-MJGOQNOKSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001045963613 692063548 /nfs/dbraw/zinc/06/35/48/692063548.db2.gz LTMPZCGGGNRMOA-MJGOQNOKSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001052367843 693516290 /nfs/dbraw/zinc/51/62/90/693516290.db2.gz BYVSQJGYHCQKIO-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001052367843 693516294 /nfs/dbraw/zinc/51/62/94/693516294.db2.gz BYVSQJGYHCQKIO-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO CC(C)(C)N1CCC([NH2+]CCNc2ccc(C#N)cn2)CC1 ZINC000927164857 693563827 /nfs/dbraw/zinc/56/38/27/693563827.db2.gz NVJKLDCHBZQGMG-UHFFFAOYSA-N 1 3 301.438 2.218 20 30 DEEDHO C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001402321997 1162324442 /nfs/dbraw/zinc/32/44/42/1162324442.db2.gz WBDXMZVPWOKSQM-CABCVRRESA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001402321997 1162324447 /nfs/dbraw/zinc/32/44/47/1162324447.db2.gz WBDXMZVPWOKSQM-CABCVRRESA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(Cl)CN(CC)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001402882368 1162514685 /nfs/dbraw/zinc/51/46/85/1162514685.db2.gz HBVVBZGGEGOIMC-UHFFFAOYSA-N 1 3 315.889 2.251 20 30 DEEDHO C=C(Cl)CNC[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001382543942 1153467534 /nfs/dbraw/zinc/46/75/34/1153467534.db2.gz XOBFYVOEUYCPIH-ZIAGYGMSSA-N 1 3 315.889 2.201 20 30 DEEDHO C=C(Cl)CNC[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001382543942 1153467538 /nfs/dbraw/zinc/46/75/38/1153467538.db2.gz XOBFYVOEUYCPIH-ZIAGYGMSSA-N 1 3 315.889 2.201 20 30 DEEDHO C=C(Cl)CN[C@H](CNC(=O)CC[NH+]1CCCCC1)C(C)C ZINC001422135445 1172332382 /nfs/dbraw/zinc/33/23/82/1172332382.db2.gz MUUNGUQLWFGQQJ-OAHLLOKOSA-N 1 3 315.889 2.345 20 30 DEEDHO C=C(Cl)CNC1CC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001426225580 1174659265 /nfs/dbraw/zinc/65/92/65/1174659265.db2.gz LFTOFVKTIDVMNF-SHARSMKWSA-N 1 3 313.873 2.192 20 30 DEEDHO C=C(Cl)CNC1CC(N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001426225580 1174659269 /nfs/dbraw/zinc/65/92/69/1174659269.db2.gz LFTOFVKTIDVMNF-SHARSMKWSA-N 1 3 313.873 2.192 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001370566570 1149811277 /nfs/dbraw/zinc/81/12/77/1149811277.db2.gz VBVPDOYWBRYGKZ-KKUMJFAQSA-N 1 3 313.873 2.096 20 30 DEEDHO C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]21 ZINC001332143606 1149825319 /nfs/dbraw/zinc/82/53/19/1149825319.db2.gz BOGXPGOBWNLGNY-IXDOHACOSA-N 1 3 321.509 2.367 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001370667866 1149826356 /nfs/dbraw/zinc/82/63/56/1149826356.db2.gz CBIFBCGOUJYRHE-HZSPNIEDSA-N 1 3 301.862 2.096 20 30 DEEDHO CC#CC[N@@H+]1CC[C@@H](NC(=O)CN2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493158 783160099 /nfs/dbraw/zinc/16/00/99/783160099.db2.gz UOAWKFUXKXMXBM-IAGOWNOFSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493158 783160106 /nfs/dbraw/zinc/16/01/06/783160106.db2.gz UOAWKFUXKXMXBM-IAGOWNOFSA-N 1 3 319.493 2.101 20 30 DEEDHO CCC#C[C@H](C)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC001167469574 777118912 /nfs/dbraw/zinc/11/89/12/777118912.db2.gz ZRFASEZPGROCNC-INIZCTEOSA-N 1 3 321.509 2.204 20 30 DEEDHO C=CCC[NH2+]C1CC(CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001100731936 777972959 /nfs/dbraw/zinc/97/29/59/777972959.db2.gz MFJWENRLRCOYCC-KLAILNCOSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001104676530 778015553 /nfs/dbraw/zinc/01/55/53/778015553.db2.gz NZNWRJJUUXCURN-IXDOHACOSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104832500 778205146 /nfs/dbraw/zinc/20/51/46/778205146.db2.gz DLMUJBOWMFSCQA-QZTJIDSGSA-N 1 3 321.509 2.369 20 30 DEEDHO C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001112529600 778606762 /nfs/dbraw/zinc/60/67/62/778606762.db2.gz HEOCDMFMQICZIZ-AOIWGVFYSA-N 1 3 319.493 2.123 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087602619 779374243 /nfs/dbraw/zinc/37/42/43/779374243.db2.gz WSFPMGKXXBXIDN-IXDOHACOSA-N 1 3 307.482 2.404 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087602619 779374248 /nfs/dbraw/zinc/37/42/48/779374248.db2.gz WSFPMGKXXBXIDN-IXDOHACOSA-N 1 3 307.482 2.404 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001088381248 780050134 /nfs/dbraw/zinc/05/01/34/780050134.db2.gz AIWNVOFMUISSMU-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076324441 781217960 /nfs/dbraw/zinc/21/79/60/781217960.db2.gz SOXRBXRHHMOCCS-FGTMMUONSA-N 1 3 319.493 2.360 20 30 DEEDHO C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001089664162 783336148 /nfs/dbraw/zinc/33/61/48/783336148.db2.gz DFTFWHOAUPKBBQ-MRXNPFEDSA-N 1 3 324.428 2.188 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001086364746 784626618 /nfs/dbraw/zinc/62/66/18/784626618.db2.gz PMUZJRBHZPVJQY-RBSFLKMASA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001086364746 784626620 /nfs/dbraw/zinc/62/66/20/784626620.db2.gz PMUZJRBHZPVJQY-RBSFLKMASA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001007327440 784888917 /nfs/dbraw/zinc/88/89/17/784888917.db2.gz NUUBVDDCMOMPRV-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001007327440 784888924 /nfs/dbraw/zinc/88/89/24/784888924.db2.gz NUUBVDDCMOMPRV-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001108704329 785495516 /nfs/dbraw/zinc/49/55/16/785495516.db2.gz IJDAPJZWGQTJQS-UXLLHSPISA-N 1 3 305.466 2.016 20 30 DEEDHO C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)(C)C1)C2 ZINC001108765907 785532889 /nfs/dbraw/zinc/53/28/89/785532889.db2.gz UKPPGOUPOQPDEV-ULQDDVLXSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001109464206 785888120 /nfs/dbraw/zinc/88/81/20/785888120.db2.gz QNGUMGHROTUOPL-PMPSAXMXSA-N 1 3 307.482 2.404 20 30 DEEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001109464206 785888127 /nfs/dbraw/zinc/88/81/27/785888127.db2.gz QNGUMGHROTUOPL-PMPSAXMXSA-N 1 3 307.482 2.404 20 30 DEEDHO C=CCN1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132210875 787967015 /nfs/dbraw/zinc/96/70/15/787967015.db2.gz KMZKNMSBLLPNHE-HOTGVXAUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCN1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132210877 787968005 /nfs/dbraw/zinc/96/80/05/787968005.db2.gz KMZKNMSBLLPNHE-JKSUJKDBSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C ZINC001133274072 788346508 /nfs/dbraw/zinc/34/65/08/788346508.db2.gz AVZOZDULJKIKCK-DLBZAZTESA-N 1 3 309.498 2.369 20 30 DEEDHO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134370100 788900753 /nfs/dbraw/zinc/90/07/53/788900753.db2.gz XLCUVHBWPDTPNB-HZPDHXFCSA-N 1 3 307.482 2.147 20 30 DEEDHO C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001134608679 789003858 /nfs/dbraw/zinc/00/38/58/789003858.db2.gz YZJVZLQLCMQWBL-CHWSQXEVSA-N 1 3 301.862 2.096 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148292897 791730911 /nfs/dbraw/zinc/73/09/11/791730911.db2.gz ZKOOVXIHTYKSTF-DLBZAZTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148292897 791730915 /nfs/dbraw/zinc/73/09/15/791730915.db2.gz ZKOOVXIHTYKSTF-DLBZAZTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148838933 791809344 /nfs/dbraw/zinc/80/93/44/791809344.db2.gz IPOJRUGWCSTJMN-MRXNPFEDSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148838933 791809346 /nfs/dbraw/zinc/80/93/46/791809346.db2.gz IPOJRUGWCSTJMN-MRXNPFEDSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001086907875 791846397 /nfs/dbraw/zinc/84/63/97/791846397.db2.gz GERCJXKYCZXAJH-DLBZAZTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001099101313 792095511 /nfs/dbraw/zinc/09/55/11/792095511.db2.gz SFMSZYKMOSFDLO-HKUYNNGSSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N1CCCC1)C2 ZINC001111467878 792112594 /nfs/dbraw/zinc/11/25/94/792112594.db2.gz ZOUUNJAVCXSEQQ-BDXSIMOUSA-N 1 3 319.493 2.404 20 30 DEEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N1CCCC1)C2 ZINC001111467878 792112602 /nfs/dbraw/zinc/11/26/02/792112602.db2.gz ZOUUNJAVCXSEQQ-BDXSIMOUSA-N 1 3 319.493 2.404 20 30 DEEDHO C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001094922412 793443488 /nfs/dbraw/zinc/44/34/88/793443488.db2.gz CRABQCKKKIPCLM-ULQDDVLXSA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CCC ZINC001176278945 794389306 /nfs/dbraw/zinc/38/93/06/794389306.db2.gz KTQQTZTXAPWPCT-CQSZACIVSA-N 1 3 303.878 2.345 20 30 DEEDHO CC#CC[NH2+][C@H]1CCN(C(=O)CN(C)CCCCCC)[C@H]1C ZINC001179749090 795172285 /nfs/dbraw/zinc/17/22/85/795172285.db2.gz WUCQVEZCHRAMTJ-IRXDYDNUSA-N 1 3 307.482 2.101 20 30 DEEDHO C=CC[NH2+]C[C@]1(C)CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001182623991 795714703 /nfs/dbraw/zinc/71/47/03/795714703.db2.gz XKUHRUOKHOCERD-CRAIPNDOSA-N 1 3 309.498 2.225 20 30 DEEDHO C=CCCC[NH2+]C[C@]1(C)CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001183516842 795879862 /nfs/dbraw/zinc/87/98/62/795879862.db2.gz BDEYOEBFUPYYEM-SJLPKXTDSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185762139 796312007 /nfs/dbraw/zinc/31/20/07/796312007.db2.gz MRQCAMZHKVDQQE-DLBZAZTESA-N 1 3 309.498 2.367 20 30 DEEDHO C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001158480388 798413788 /nfs/dbraw/zinc/41/37/88/798413788.db2.gz LHGPBNULXQLPDL-MRXNPFEDSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001158480388 798413790 /nfs/dbraw/zinc/41/37/90/798413790.db2.gz LHGPBNULXQLPDL-MRXNPFEDSA-N 1 3 309.498 2.463 20 30 DEEDHO C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001158534340 798423035 /nfs/dbraw/zinc/42/30/35/798423035.db2.gz VABWBEFVOPRBKM-MRXNPFEDSA-N 1 3 304.438 2.231 20 30 DEEDHO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001158534340 798423038 /nfs/dbraw/zinc/42/30/38/798423038.db2.gz VABWBEFVOPRBKM-MRXNPFEDSA-N 1 3 304.438 2.231 20 30 DEEDHO C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159629100 798590907 /nfs/dbraw/zinc/59/09/07/798590907.db2.gz UGLZBOCELQVXGJ-KRWDZBQOSA-N 1 3 305.466 2.185 20 30 DEEDHO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159629100 798590909 /nfs/dbraw/zinc/59/09/09/798590909.db2.gz UGLZBOCELQVXGJ-KRWDZBQOSA-N 1 3 305.466 2.185 20 30 DEEDHO C=CCN1CC=C(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001160400377 798683679 /nfs/dbraw/zinc/68/36/79/798683679.db2.gz PADGGBNBHNYZGS-KRWDZBQOSA-N 1 3 305.466 2.185 20 30 DEEDHO C=CCN1CC=C(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001160400377 798683681 /nfs/dbraw/zinc/68/36/81/798683681.db2.gz PADGGBNBHNYZGS-KRWDZBQOSA-N 1 3 305.466 2.185 20 30 DEEDHO C#CCN1CC=C(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001161397985 798846421 /nfs/dbraw/zinc/84/64/21/798846421.db2.gz LVKUHBHJHYPJJE-KRWDZBQOSA-N 1 3 317.477 2.023 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001202495561 798980257 /nfs/dbraw/zinc/98/02/57/798980257.db2.gz GKBLLKQDDOHUFY-CVEARBPZSA-N 1 3 307.482 2.406 20 30 DEEDHO CN(C)C1(CNc2cccc(F)c2CC#N)CC[NH+](C)CC1 ZINC001164217546 799542648 /nfs/dbraw/zinc/54/26/48/799542648.db2.gz WPNWVNIYOLKDBJ-UHFFFAOYSA-N 1 3 304.413 2.330 20 30 DEEDHO C=CCC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001203259356 800026830 /nfs/dbraw/zinc/02/68/30/800026830.db2.gz WMCVBRYXRUPHIA-CVEARBPZSA-N 1 3 319.493 2.454 20 30 DEEDHO C=C(Cl)CN[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203316659 800036714 /nfs/dbraw/zinc/03/67/14/800036714.db2.gz IJISLKHKHMJTQW-KGLIPLIRSA-N 1 3 313.873 2.098 20 30 DEEDHO C=CCCC[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001206274836 800500427 /nfs/dbraw/zinc/50/04/27/800500427.db2.gz LOLHRYCAZFIYEA-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCCCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001209423850 801190219 /nfs/dbraw/zinc/19/02/19/801190219.db2.gz FHDWIDDWRGZVHX-SQNIBIBYSA-N 1 3 317.481 2.419 20 30 DEEDHO C=CCCCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001209423850 801190220 /nfs/dbraw/zinc/19/02/20/801190220.db2.gz FHDWIDDWRGZVHX-SQNIBIBYSA-N 1 3 317.481 2.419 20 30 DEEDHO C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CCCCCC ZINC001229180353 801236975 /nfs/dbraw/zinc/23/69/75/801236975.db2.gz HAKUKJONFNOZPZ-IAGOWNOFSA-N 1 3 307.482 2.149 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230611660 801436761 /nfs/dbraw/zinc/43/67/61/801436761.db2.gz XFIPMPAIEXYAQR-GOSISDBHSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230611660 801436765 /nfs/dbraw/zinc/43/67/65/801436765.db2.gz XFIPMPAIEXYAQR-GOSISDBHSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1C ZINC001214610873 801739115 /nfs/dbraw/zinc/73/91/15/801739115.db2.gz GXNPSKFSMXFXDW-BRWVUGGUSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001215778574 801903905 /nfs/dbraw/zinc/90/39/05/801903905.db2.gz SMDBUDBLGAFEIL-ZACQAIPSSA-N 1 3 307.482 2.262 20 30 DEEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cccc(CC#N)c1 ZINC001218988139 802270059 /nfs/dbraw/zinc/27/00/59/802270059.db2.gz RTXRATJWCDCRMQ-INIZCTEOSA-N 1 3 302.422 2.187 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001226932598 803177308 /nfs/dbraw/zinc/17/73/08/803177308.db2.gz MDVRNTVRRZRZDQ-KFWWJZLASA-N 1 3 315.889 2.342 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CCC)C2CCCC2)CC1 ZINC001500130070 1058510737 /nfs/dbraw/zinc/51/07/37/1058510737.db2.gz AGWKJESUCYBJSH-SFHVURJKSA-N 1 3 319.493 2.006 20 30 DEEDHO C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001500381763 1058737032 /nfs/dbraw/zinc/73/70/32/1058737032.db2.gz DQLSTWOPSXSXQE-HKUYNNGSSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001501118256 1059300053 /nfs/dbraw/zinc/30/00/53/1059300053.db2.gz IUKUBKUAJLCKPH-HOTGVXAUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001506677780 1062269919 /nfs/dbraw/zinc/26/99/19/1062269919.db2.gz GZBHSQYFRIYVCS-DOTOQJQBSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001480267766 1062570528 /nfs/dbraw/zinc/57/05/28/1062570528.db2.gz REBKMJDCYQZLBZ-DLBZAZTESA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001480267766 1062570551 /nfs/dbraw/zinc/57/05/51/1062570551.db2.gz REBKMJDCYQZLBZ-DLBZAZTESA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCCC[NH2+]C1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001480408375 1062818219 /nfs/dbraw/zinc/81/82/19/1062818219.db2.gz RGYSFKYGVHQCRM-KLAILNCOSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001493206128 1063636933 /nfs/dbraw/zinc/63/69/33/1063636933.db2.gz DVXBPYMFXZZPDO-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001493206128 1063636947 /nfs/dbraw/zinc/63/69/47/1063636947.db2.gz DVXBPYMFXZZPDO-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=CC[NH2+][C@@H](C)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001493837284 1063984592 /nfs/dbraw/zinc/98/45/92/1063984592.db2.gz RYLOBKXFPSOZAR-HNNXBMFYSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCN[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001493893441 1064014401 /nfs/dbraw/zinc/01/44/01/1064014401.db2.gz UPCYWOZMQLBLAU-KRWDZBQOSA-N 1 3 315.461 2.494 20 30 DEEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001568357922 1064802352 /nfs/dbraw/zinc/80/23/52/1064802352.db2.gz NLIFMBPUWLBAEF-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001569246584 1065392045 /nfs/dbraw/zinc/39/20/45/1065392045.db2.gz IJWLIUXCJZSTHR-HNNXBMFYSA-N 1 3 315.889 2.442 20 30 DEEDHO C#CCN(C(=O)[C@H](CC)N(C)C)C1CC[NH+](CCC(=C)C)CC1 ZINC001569593006 1065612835 /nfs/dbraw/zinc/61/28/35/1065612835.db2.gz JNEFMRFOTOCXFN-SFHVURJKSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001499516754 1067243506 /nfs/dbraw/zinc/24/35/06/1067243506.db2.gz ZQVCJLADMDBZKO-SJORKVTESA-N 1 3 305.466 2.114 20 30 DEEDHO C[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]1CC[NH3+] ZINC001579441771 1067342110 /nfs/dbraw/zinc/34/21/10/1067342110.db2.gz RXQLQNRXXSDYCA-IUODEOHRSA-N 1 3 311.389 2.025 20 30 DEEDHO C#CCN1CCC([C@H](C)NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001571651640 1068459777 /nfs/dbraw/zinc/45/97/77/1068459777.db2.gz ZHWULNUWAZUUKV-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483698690 1078818862 /nfs/dbraw/zinc/81/88/62/1078818862.db2.gz UNXWIDPFFRXESC-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCN(C(=O)CC[C@H]([NH3+])c1ccccc1)C1CCN(C)CC1 ZINC001574583099 1069241185 /nfs/dbraw/zinc/24/11/85/1069241185.db2.gz DVBZHMQYQBUDTI-SFHVURJKSA-N 1 3 313.445 2.023 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)C[C@@H]2C1 ZINC001649433696 1079117434 /nfs/dbraw/zinc/11/74/34/1079117434.db2.gz LVVMLUHDFGRDSB-SJORKVTESA-N 1 3 307.482 2.075 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)C[C@@H]2C1 ZINC001649433696 1079117436 /nfs/dbraw/zinc/11/74/36/1079117436.db2.gz LVVMLUHDFGRDSB-SJORKVTESA-N 1 3 307.482 2.075 20 30 DEEDHO CC#CCN1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001484161192 1079335847 /nfs/dbraw/zinc/33/58/47/1079335847.db2.gz OFIQKHRNVRFZBI-IEBWSBKVSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CCN1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001484161192 1079335848 /nfs/dbraw/zinc/33/58/48/1079335848.db2.gz OFIQKHRNVRFZBI-IEBWSBKVSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001566963811 1075401726 /nfs/dbraw/zinc/40/17/26/1075401726.db2.gz ZRMBBFDQVYTCMD-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001566963811 1075401731 /nfs/dbraw/zinc/40/17/31/1075401731.db2.gz ZRMBBFDQVYTCMD-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001566963813 1075402237 /nfs/dbraw/zinc/40/22/37/1075402237.db2.gz ZRMBBFDQVYTCMD-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001566963813 1075402240 /nfs/dbraw/zinc/40/22/40/1075402240.db2.gz ZRMBBFDQVYTCMD-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001567054174 1075423862 /nfs/dbraw/zinc/42/38/62/1075423862.db2.gz LSCWLGBVDUQVJO-WMLDXEAASA-N 1 3 313.461 2.259 20 30 DEEDHO CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001656108944 1080046803 /nfs/dbraw/zinc/04/68/03/1080046803.db2.gz AOHYDLMOVLUHMI-IRXDYDNUSA-N 1 3 309.498 2.441 20 30 DEEDHO CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001656108944 1080046811 /nfs/dbraw/zinc/04/68/11/1080046811.db2.gz AOHYDLMOVLUHMI-IRXDYDNUSA-N 1 3 309.498 2.441 20 30 DEEDHO CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001279262500 1080093504 /nfs/dbraw/zinc/09/35/04/1080093504.db2.gz PIDCTYYRMOYPNZ-QAQDUYKDSA-N 1 3 319.493 2.006 20 30 DEEDHO C=CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001272699272 1080150597 /nfs/dbraw/zinc/15/05/97/1080150597.db2.gz FHKXAMMKZUVJNC-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001272699272 1080150599 /nfs/dbraw/zinc/15/05/99/1080150599.db2.gz FHKXAMMKZUVJNC-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCN[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC001664587645 1080928638 /nfs/dbraw/zinc/92/86/38/1080928638.db2.gz DNYMDXOCXFGXGF-DLBZAZTESA-N 1 3 303.450 2.206 20 30 DEEDHO C=C(C)CN[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001664599518 1080931821 /nfs/dbraw/zinc/93/18/21/1080931821.db2.gz SHEMCDWOYPDXOW-AEFFLSMTSA-N 1 3 315.461 2.351 20 30 DEEDHO C=C(C)CN[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001664599518 1080931827 /nfs/dbraw/zinc/93/18/27/1080931827.db2.gz SHEMCDWOYPDXOW-AEFFLSMTSA-N 1 3 315.461 2.351 20 30 DEEDHO C=CCCC[NH+]1CC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001666829764 1081184935 /nfs/dbraw/zinc/18/49/35/1081184935.db2.gz UBFONYZQBTVCCH-KRWDZBQOSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)CC[C@H]21 ZINC001667695471 1081274979 /nfs/dbraw/zinc/27/49/79/1081274979.db2.gz XMPPZHRWFRRHHI-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)CC[C@H]21 ZINC001667695471 1081274982 /nfs/dbraw/zinc/27/49/82/1081274982.db2.gz XMPPZHRWFRRHHI-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C#CC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001269731372 1081349020 /nfs/dbraw/zinc/34/90/20/1081349020.db2.gz ZINJIKUCMBDCLJ-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCC[NH+]1CCC(C)(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001671854239 1081543497 /nfs/dbraw/zinc/54/34/97/1081543497.db2.gz PBERXLBTUCJTNH-MRXNPFEDSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001270788263 1081713221 /nfs/dbraw/zinc/71/32/21/1081713221.db2.gz IAOFJHRXVLNMSK-SJLPKXTDSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001271777089 1082151772 /nfs/dbraw/zinc/15/17/72/1082151772.db2.gz FEHQORFPFAVRCP-BRWVUGGUSA-N 1 3 307.482 2.026 20 30 DEEDHO C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001482678798 1082469757 /nfs/dbraw/zinc/46/97/57/1082469757.db2.gz SWDAZZDTYJWQMH-IAGOWNOFSA-N 1 3 319.493 2.149 20 30 DEEDHO CC#CCNC/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001483051710 1082663840 /nfs/dbraw/zinc/66/38/40/1082663840.db2.gz XCLUFWLZGALBLQ-LKGOPFMKSA-N 1 3 317.477 2.069 20 30 DEEDHO CC#CCNC/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001483051710 1082663842 /nfs/dbraw/zinc/66/38/42/1082663842.db2.gz XCLUFWLZGALBLQ-LKGOPFMKSA-N 1 3 317.477 2.069 20 30 DEEDHO C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001409443324 1082891624 /nfs/dbraw/zinc/89/16/24/1082891624.db2.gz KCFNRGDZYAASCO-CYBMUJFWSA-N 1 3 315.889 2.155 20 30 DEEDHO C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001277053540 1083749823 /nfs/dbraw/zinc/74/98/23/1083749823.db2.gz LOTWHWNXNCRQOD-ULQDDVLXSA-N 1 3 307.482 2.310 20 30 DEEDHO C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC1(C)C ZINC001486232535 1085139794 /nfs/dbraw/zinc/13/97/94/1085139794.db2.gz YFLCIOJOXXWWMD-MRXNPFEDSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCN1CC=C(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001486515854 1085400428 /nfs/dbraw/zinc/40/04/28/1085400428.db2.gz RYGVYOKTPFDLCF-GOSISDBHSA-N 1 3 323.456 2.133 20 30 DEEDHO C=CCN1CC=C(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001486515854 1085400431 /nfs/dbraw/zinc/40/04/31/1085400431.db2.gz RYGVYOKTPFDLCF-GOSISDBHSA-N 1 3 323.456 2.133 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC000961379908 1085712203 /nfs/dbraw/zinc/71/22/03/1085712203.db2.gz WREFQBZFCNZUKZ-QZTJIDSGSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC000961379908 1085712209 /nfs/dbraw/zinc/71/22/09/1085712209.db2.gz WREFQBZFCNZUKZ-QZTJIDSGSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[N@@H+](C)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001494206705 1085836110 /nfs/dbraw/zinc/83/61/10/1085836110.db2.gz QUEZHFFRCAVREX-INIZCTEOSA-N 1 3 307.482 2.075 20 30 DEEDHO C=C(C)C[N@H+](C)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001494206705 1085836113 /nfs/dbraw/zinc/83/61/13/1085836113.db2.gz QUEZHFFRCAVREX-INIZCTEOSA-N 1 3 307.482 2.075 20 30 DEEDHO C#CC[NH2+]C1CCC(N(C)C(=O)C(C)(C)N2CCCCC2)CC1 ZINC000963327268 1086409585 /nfs/dbraw/zinc/40/95/85/1086409585.db2.gz WXPMZRRFFMIXRE-UHFFFAOYSA-N 1 3 319.493 2.243 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001084701375 1090402779 /nfs/dbraw/zinc/40/27/79/1090402779.db2.gz ASJMSOSWMONJIV-KZNAEPCWSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001084701375 1090402782 /nfs/dbraw/zinc/40/27/82/1090402782.db2.gz ASJMSOSWMONJIV-KZNAEPCWSA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(Cl)CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001411208161 1091418554 /nfs/dbraw/zinc/41/85/54/1091418554.db2.gz GHKFNZLXGGDQOL-MGPQQGTHSA-N 1 3 315.889 2.200 20 30 DEEDHO C=C(Cl)CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)(C)C ZINC001411208161 1091418562 /nfs/dbraw/zinc/41/85/62/1091418562.db2.gz GHKFNZLXGGDQOL-MGPQQGTHSA-N 1 3 315.889 2.200 20 30 DEEDHO C=CCCC[NH+]1CCC2(CCCN(CC(=O)N(C)C)C2)CC1 ZINC001274961769 1091487906 /nfs/dbraw/zinc/48/79/06/1091487906.db2.gz ADOGXHJEOWMEDG-UHFFFAOYSA-N 1 3 307.482 2.219 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001275036393 1091523916 /nfs/dbraw/zinc/52/39/16/1091523916.db2.gz UZIZAZUVJBCIQA-KRWDZBQOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001275189881 1091608652 /nfs/dbraw/zinc/60/86/52/1091608652.db2.gz BRDQCODAHAJSFV-SFHVURJKSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001275189881 1091608658 /nfs/dbraw/zinc/60/86/58/1091608658.db2.gz BRDQCODAHAJSFV-SFHVURJKSA-N 1 3 321.509 2.465 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000948766419 1091923257 /nfs/dbraw/zinc/92/32/57/1091923257.db2.gz JZEVTWCDTDXENV-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000948766419 1091923262 /nfs/dbraw/zinc/92/32/62/1091923262.db2.gz JZEVTWCDTDXENV-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001488771973 1092743091 /nfs/dbraw/zinc/74/30/91/1092743091.db2.gz JNLSEEUTQJXTER-LUKYLMHMSA-N 1 3 307.482 2.167 20 30 DEEDHO C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001490409514 1093368123 /nfs/dbraw/zinc/36/81/23/1093368123.db2.gz LNHUBJUPLKUJDU-MRXNPFEDSA-N 1 3 313.461 2.165 20 30 DEEDHO CC#CCNC[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001278004937 1138406598 /nfs/dbraw/zinc/40/65/98/1138406598.db2.gz HVIGIHBDESYENI-MSOLQXFVSA-N 1 3 319.493 2.101 20 30 DEEDHO CCCCCCCNC(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239216312 1138991412 /nfs/dbraw/zinc/99/14/12/1138991412.db2.gz NNXHRXMCFMQMKF-OAHLLOKOSA-N 1 3 310.486 2.130 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1CC ZINC001319133126 1140510295 /nfs/dbraw/zinc/51/02/95/1140510295.db2.gz ZTTZSJIJTAGIOV-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@H](C)[N@H+](C)CCC(C)(C)C)CC1 ZINC001329625588 1148944041 /nfs/dbraw/zinc/94/40/41/1148944041.db2.gz XPFZXCDHQKQZOZ-INIZCTEOSA-N 1 3 321.509 2.204 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@H](C)[N@@H+](C)CCC(C)(C)C)CC1 ZINC001329625588 1148944058 /nfs/dbraw/zinc/94/40/58/1148944058.db2.gz XPFZXCDHQKQZOZ-INIZCTEOSA-N 1 3 321.509 2.204 20 30 DEEDHO C=CC[NH2+][C@@H](CNC(=O)c1cccc(CN(C)C)c1)C(C)C ZINC001319967276 1140807817 /nfs/dbraw/zinc/80/78/17/1140807817.db2.gz CXBRZNWKLFCUTN-KRWDZBQOSA-N 1 3 303.450 2.278 20 30 DEEDHO CCCCCCC[C@@H](C)[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246624045 1141009744 /nfs/dbraw/zinc/00/97/44/1141009744.db2.gz DGPJHBRVNYLNOR-QAPCUYQASA-N 1 3 307.482 2.147 20 30 DEEDHO CCCCCCC[C@@H](C)[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246624045 1141009753 /nfs/dbraw/zinc/00/97/53/1141009753.db2.gz DGPJHBRVNYLNOR-QAPCUYQASA-N 1 3 307.482 2.147 20 30 DEEDHO N#Cc1ccc(C2CCC(N3CCN[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246645371 1141023354 /nfs/dbraw/zinc/02/33/54/1141023354.db2.gz UPOITQADDZIFFY-SOAGJPPSSA-N 1 3 324.472 2.222 20 30 DEEDHO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@H]1CCN[C@H](C)C1)C2 ZINC001246719890 1141044110 /nfs/dbraw/zinc/04/41/10/1141044110.db2.gz HMXUCLXOFYRCTE-VSZNYVQBSA-N 1 3 308.466 2.201 20 30 DEEDHO C=CCOC[C@]12CCCO[C@H]1CC[N@H+]([C@H]1CCN[C@H](C)C1)C2 ZINC001246719890 1141044119 /nfs/dbraw/zinc/04/41/19/1141044119.db2.gz HMXUCLXOFYRCTE-VSZNYVQBSA-N 1 3 308.466 2.201 20 30 DEEDHO C=CCOC[C@]12CCCO[C@H]1CCN([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246719890 1141044131 /nfs/dbraw/zinc/04/41/31/1141044131.db2.gz HMXUCLXOFYRCTE-VSZNYVQBSA-N 1 3 308.466 2.201 20 30 DEEDHO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@@H]1CCN[C@H](C)C1)C2 ZINC001246719902 1141045065 /nfs/dbraw/zinc/04/50/65/1141045065.db2.gz HMXUCLXOFYRCTE-ZJPYXAASSA-N 1 3 308.466 2.201 20 30 DEEDHO C=CCOC[C@]12CCCO[C@H]1CC[N@H+]([C@@H]1CCN[C@H](C)C1)C2 ZINC001246719902 1141045075 /nfs/dbraw/zinc/04/50/75/1141045075.db2.gz HMXUCLXOFYRCTE-ZJPYXAASSA-N 1 3 308.466 2.201 20 30 DEEDHO C=CCOC[C@]12CCCO[C@H]1CCN([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246719902 1141045087 /nfs/dbraw/zinc/04/50/87/1141045087.db2.gz HMXUCLXOFYRCTE-ZJPYXAASSA-N 1 3 308.466 2.201 20 30 DEEDHO C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001323568761 1141865826 /nfs/dbraw/zinc/86/58/26/1141865826.db2.gz WQTKKYWUJRILKG-MRXNPFEDSA-N 1 3 307.482 2.454 20 30 DEEDHO C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001323640244 1141872893 /nfs/dbraw/zinc/87/28/93/1141872893.db2.gz CQITWIQAXYCBBR-MSOLQXFVSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CCN1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001324558191 1142102126 /nfs/dbraw/zinc/10/21/26/1142102126.db2.gz YUJOHQMNAPDVCZ-IBGZPJMESA-N 1 3 319.493 2.056 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001278564618 1142178546 /nfs/dbraw/zinc/17/85/46/1142178546.db2.gz JLSRAWSFEKUJMQ-JKSUJKDBSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001278582914 1142239817 /nfs/dbraw/zinc/23/98/17/1142239817.db2.gz RVZJHNMDSVWCMY-AEFFLSMTSA-N 1 3 307.482 2.265 20 30 DEEDHO C#C[C@](C)(CC)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254050377 1143031735 /nfs/dbraw/zinc/03/17/35/1143031735.db2.gz KYOZYNFJYXUBHU-GOSISDBHSA-N 1 3 300.446 2.405 20 30 DEEDHO C=CCN1C(=O)CCC12CCN([C@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254857013 1143340260 /nfs/dbraw/zinc/34/02/60/1143340260.db2.gz NAZKICWORCBUOF-KRWDZBQOSA-N 1 3 317.477 2.114 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CCC=C)C(C)(C)C)CC1 ZINC001279033830 1143948814 /nfs/dbraw/zinc/94/88/14/1143948814.db2.gz FYKQWAQUNAQJAA-KRWDZBQOSA-N 1 3 319.493 2.028 20 30 DEEDHO CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001264023674 1144443162 /nfs/dbraw/zinc/44/31/62/1144443162.db2.gz BPNKJQQIHQSYAL-QZTJIDSGSA-N 1 3 321.509 2.347 20 30 DEEDHO C#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001264518028 1144557003 /nfs/dbraw/zinc/55/70/03/1144557003.db2.gz NVTKITACLZXLIW-IAGOWNOFSA-N 1 3 321.509 2.204 20 30 DEEDHO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001317172796 1147670514 /nfs/dbraw/zinc/67/05/14/1147670514.db2.gz FBOPQWPGBJOHCZ-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001317172796 1147670516 /nfs/dbraw/zinc/67/05/16/1147670516.db2.gz FBOPQWPGBJOHCZ-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[NH2+][C@@H](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001317406420 1147702231 /nfs/dbraw/zinc/70/22/31/1147702231.db2.gz SETGAIVKHBMDSP-WMLDXEAASA-N 1 3 313.461 2.259 20 30 DEEDHO C=CCC[NH2+][C@@H](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001317406422 1147702473 /nfs/dbraw/zinc/70/24/73/1147702473.db2.gz SETGAIVKHBMDSP-YOEHRIQHSA-N 1 3 313.461 2.259 20 30 DEEDHO C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+]1CCC2 ZINC001318204931 1147795751 /nfs/dbraw/zinc/79/57/51/1147795751.db2.gz VVBRGFRCSJDBRQ-ULQDDVLXSA-N 1 3 317.477 2.255 20 30 DEEDHO CC#CCN1CCC[C@](C)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001324943144 1147860607 /nfs/dbraw/zinc/86/06/07/1147860607.db2.gz DPTHFBPGAARGAH-IEBWSBKVSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CCN1CCC[C@](C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001324943144 1147860605 /nfs/dbraw/zinc/86/06/05/1147860605.db2.gz DPTHFBPGAARGAH-IEBWSBKVSA-N 1 3 319.493 2.102 20 30 DEEDHO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)CN(C)C ZINC000291659148 404467661 /nfs/dbraw/zinc/46/76/61/404467661.db2.gz DURXUEUTWXMART-CQSZACIVSA-N 1 3 311.433 2.246 20 30 DEEDHO CCOCCCN1CC[C@H]([NH2+]Cc2ccnc(C#N)c2)[C@H](C)C1 ZINC000615796993 362705323 /nfs/dbraw/zinc/70/53/23/362705323.db2.gz JVHHHNXQMOOKCP-QAPCUYQASA-N 1 3 316.449 2.180 20 30 DEEDHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccnc(C#N)c2)[C@H](C)C1 ZINC000615796985 362705507 /nfs/dbraw/zinc/70/55/07/362705507.db2.gz JVHHHNXQMOOKCP-CRAIPNDOSA-N 1 3 316.449 2.180 20 30 DEEDHO CC[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)N1CCCC1 ZINC000083031389 355462485 /nfs/dbraw/zinc/46/24/85/355462485.db2.gz ZBWXZAFJQRXBAE-HOCLYGCPSA-N 1 3 316.449 2.289 20 30 DEEDHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000346146117 146023998 /nfs/dbraw/zinc/02/39/98/146023998.db2.gz VPRAZFUELLMUFZ-LSDHHAIUSA-N 1 3 318.440 2.374 20 30 DEEDHO CN(CCC(=O)Nc1ccc(C#N)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000118841309 401911898 /nfs/dbraw/zinc/91/18/98/401911898.db2.gz ZUNVHKHVCXBBMB-INIZCTEOSA-N 1 3 314.433 2.160 20 30 DEEDHO CN(CCC(=O)Nc1ccc(C#N)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841309 401911900 /nfs/dbraw/zinc/91/19/00/401911900.db2.gz ZUNVHKHVCXBBMB-INIZCTEOSA-N 1 3 314.433 2.160 20 30 DEEDHO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000248837244 402610395 /nfs/dbraw/zinc/61/03/95/402610395.db2.gz NEIVTSZYCVXKRZ-ATZDWAIDSA-N 1 3 313.445 2.425 20 30 DEEDHO CC(C)N1CCC([NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000173617141 402704609 /nfs/dbraw/zinc/70/46/09/402704609.db2.gz MMTPSENCFJAOAK-OAHLLOKOSA-N 1 3 320.481 2.180 20 30 DEEDHO CN(CCCN(C)Cc1cccc(C#N)c1F)CC[NH+](C)C ZINC000344013796 403844984 /nfs/dbraw/zinc/84/49/84/403844984.db2.gz CSNBCHONGVDZSQ-UHFFFAOYSA-N 1 3 306.429 2.013 20 30 DEEDHO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+]CC1(N)CCC1 ZINC000342143331 404397470 /nfs/dbraw/zinc/39/74/70/404397470.db2.gz SMMAAIFGGSMBKS-ZDUSSCGKSA-N 1 3 307.463 2.122 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CCC)CC1 ZINC000352822440 404647334 /nfs/dbraw/zinc/64/73/34/404647334.db2.gz YERBNIKRWDUKQM-QGZVFWFLSA-N 1 3 322.497 2.201 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000352822440 404647337 /nfs/dbraw/zinc/64/73/37/404647337.db2.gz YERBNIKRWDUKQM-QGZVFWFLSA-N 1 3 322.497 2.201 20 30 DEEDHO N#CCCC[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000424129995 405016487 /nfs/dbraw/zinc/01/64/87/405016487.db2.gz DUVORUMPKNOXNH-ZIAGYGMSSA-N 1 3 320.462 2.022 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCCC[C@@H]1C[NH3+])C(C)C ZINC000417061751 405023562 /nfs/dbraw/zinc/02/35/62/405023562.db2.gz LETMOPGISFWKNZ-SJORKVTESA-N 1 3 322.497 2.208 20 30 DEEDHO [NH2+]=C(NCC1(N2CCCC2)CCOCC1)NC1CCCCCC1 ZINC000261985426 225262507 /nfs/dbraw/zinc/26/25/07/225262507.db2.gz JQTGMFURVIQBAG-UHFFFAOYSA-N 1 3 322.497 2.259 20 30 DEEDHO C=CCN1CCC(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000074132533 341129582 /nfs/dbraw/zinc/12/95/82/341129582.db2.gz RJJKCRBOJJXWKC-KRWDZBQOSA-N 1 3 322.497 2.153 20 30 DEEDHO C=CCN1CCC(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000074132533 341129583 /nfs/dbraw/zinc/12/95/83/341129583.db2.gz RJJKCRBOJJXWKC-KRWDZBQOSA-N 1 3 322.497 2.153 20 30 DEEDHO C[NH+]=C(NCc1cccs1)N1CC[C@H](N2CCCCC2)C1 ZINC000262494968 526386704 /nfs/dbraw/zinc/38/67/04/526386704.db2.gz WCXAKICSAAQVFV-AWEZNQCLSA-N 1 3 306.479 2.384 20 30 DEEDHO C[NH+]=C(NCc1nc(C)cs1)N1CC[C@H](N2CCCCC2)C1 ZINC000262500404 526389803 /nfs/dbraw/zinc/38/98/03/526389803.db2.gz YDMBZJSXUAYMIW-AWEZNQCLSA-N 1 3 321.494 2.087 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000337638159 526590259 /nfs/dbraw/zinc/59/02/59/526590259.db2.gz DFDCDCKPHUOBMB-INIZCTEOSA-N 1 3 322.497 2.058 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000337638159 526590267 /nfs/dbraw/zinc/59/02/67/526590267.db2.gz DFDCDCKPHUOBMB-INIZCTEOSA-N 1 3 322.497 2.058 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)C[C@H]1CCC[C@H]1[NH3+])C(C)C ZINC000340120146 527648897 /nfs/dbraw/zinc/64/88/97/527648897.db2.gz HFABJPJUYCSELK-BRWVUGGUSA-N 1 3 307.482 2.319 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCC(F)(F)C1 ZINC000261899600 529072881 /nfs/dbraw/zinc/07/28/81/529072881.db2.gz WJQPGYYNJKUZII-CHWSQXEVSA-N 1 3 302.413 2.201 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCCC1(F)F ZINC000263025728 529073272 /nfs/dbraw/zinc/07/32/72/529073272.db2.gz AORJJXLOLYARNL-QWHCGFSZSA-N 1 3 302.413 2.201 20 30 DEEDHO C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001023633504 625363401 /nfs/dbraw/zinc/36/34/01/625363401.db2.gz ZGUYFFNOOHWBTK-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001023633504 625363407 /nfs/dbraw/zinc/36/34/07/625363407.db2.gz ZGUYFFNOOHWBTK-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCCN1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC000970719257 623639344 /nfs/dbraw/zinc/63/93/44/623639344.db2.gz PGTXXMUDXQKVBJ-FUHWJXTLSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCCN1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970719257 623639347 /nfs/dbraw/zinc/63/93/47/623639347.db2.gz PGTXXMUDXQKVBJ-FUHWJXTLSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCN1CCC(NC(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000891522505 624467451 /nfs/dbraw/zinc/46/74/51/624467451.db2.gz QYHDZTPXBVSQTF-GOSISDBHSA-N 1 3 322.497 2.043 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001022201157 624497213 /nfs/dbraw/zinc/49/72/13/624497213.db2.gz FRBHCKUDNNPLSX-ZNMIVQPWSA-N 1 3 313.873 2.239 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001022201157 624497214 /nfs/dbraw/zinc/49/72/14/624497214.db2.gz FRBHCKUDNNPLSX-ZNMIVQPWSA-N 1 3 313.873 2.239 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001022807706 624937444 /nfs/dbraw/zinc/93/74/44/624937444.db2.gz LPHWPSLUKJTSJM-SOUVJXGZSA-N 1 3 313.873 2.240 20 30 DEEDHO CCOCCC1(CNC(=[NH2+])NC[C@H]2CCCN2CC)CCCC1 ZINC000156935076 625176129 /nfs/dbraw/zinc/17/61/29/625176129.db2.gz DUHBOLAIYHBBQT-MRXNPFEDSA-N 1 3 324.513 2.362 20 30 DEEDHO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001027692535 634447013 /nfs/dbraw/zinc/44/70/13/634447013.db2.gz LLHYUFVTKUEAGF-GOSISDBHSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001027692535 634447014 /nfs/dbraw/zinc/44/70/14/634447014.db2.gz LLHYUFVTKUEAGF-GOSISDBHSA-N 1 3 315.461 2.471 20 30 DEEDHO C#CCN(C)[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001027469631 633841866 /nfs/dbraw/zinc/84/18/66/633841866.db2.gz GYVULKSZADQFCY-KRWDZBQOSA-N 1 3 319.493 2.195 20 30 DEEDHO C#CCN(C)[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001027469631 633841873 /nfs/dbraw/zinc/84/18/73/633841873.db2.gz GYVULKSZADQFCY-KRWDZBQOSA-N 1 3 319.493 2.195 20 30 DEEDHO CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCCN2CC)CC1 ZINC000997874405 634017808 /nfs/dbraw/zinc/01/78/08/634017808.db2.gz LXMQCGWEMXGVKG-WMZOPIPTSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980144781 634862139 /nfs/dbraw/zinc/86/21/39/634862139.db2.gz BNEOYZGNCDMGPP-YESZJQIVSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980144781 634862140 /nfs/dbraw/zinc/86/21/40/634862140.db2.gz BNEOYZGNCDMGPP-YESZJQIVSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001000993026 635384817 /nfs/dbraw/zinc/38/48/17/635384817.db2.gz PLEZKUJMNPPFCJ-INIZCTEOSA-N 1 3 301.434 2.128 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000981269142 635416430 /nfs/dbraw/zinc/41/64/30/635416430.db2.gz UHPKFBVAWDHFIX-CVEARBPZSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CCC[NH+]1CCC(CNC(=O)[C@H]2CCCN2CCC)CC1 ZINC001001466467 635501838 /nfs/dbraw/zinc/50/18/38/635501838.db2.gz HSUQHSGNEPVQMR-QGZVFWFLSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCN1CC=C(CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001001467917 635503485 /nfs/dbraw/zinc/50/34/85/635503485.db2.gz OVOAQZDWWGOOOJ-UHFFFAOYSA-N 1 3 313.445 2.296 20 30 DEEDHO C=CC[N@H+]1CC=C(CNC(=O)c2ccccc2CN(C)C)CC1 ZINC001001467917 635503490 /nfs/dbraw/zinc/50/34/90/635503490.db2.gz OVOAQZDWWGOOOJ-UHFFFAOYSA-N 1 3 313.445 2.296 20 30 DEEDHO C=CC[N@@H+]1CC=C(CNC(=O)c2ccccc2CN(C)C)CC1 ZINC001001467917 635503495 /nfs/dbraw/zinc/50/34/95/635503495.db2.gz OVOAQZDWWGOOOJ-UHFFFAOYSA-N 1 3 313.445 2.296 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000981812184 635666610 /nfs/dbraw/zinc/66/66/10/635666610.db2.gz ILZOEULXQUVPFO-QGZVFWFLSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981812184 635666611 /nfs/dbraw/zinc/66/66/11/635666611.db2.gz ILZOEULXQUVPFO-QGZVFWFLSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[NH+]1CCC(NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001002813940 635805555 /nfs/dbraw/zinc/80/55/55/635805555.db2.gz AQQAZVRVRUAUOX-UHFFFAOYSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001028204673 635822274 /nfs/dbraw/zinc/82/22/74/635822274.db2.gz BAOWUIIPCLDNIT-QGZVFWFLSA-N 1 3 301.434 2.128 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001004546085 636483675 /nfs/dbraw/zinc/48/36/75/636483675.db2.gz GGMQXBLNJLEUIO-IRXDYDNUSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001004546085 636483677 /nfs/dbraw/zinc/48/36/77/636483677.db2.gz GGMQXBLNJLEUIO-IRXDYDNUSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]21 ZINC000992859049 647308793 /nfs/dbraw/zinc/30/87/93/647308793.db2.gz LXZXRRCUXWCEEW-RCCFBDPRSA-N 1 3 319.493 2.121 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1C ZINC000993534460 647692254 /nfs/dbraw/zinc/69/22/54/647692254.db2.gz YJANBJPHBWLIEM-CVEARBPZSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1C ZINC000993534460 647692257 /nfs/dbraw/zinc/69/22/57/647692257.db2.gz YJANBJPHBWLIEM-CVEARBPZSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCN1CCC[C@H](NC(=O)c2occc2CN(C)C)[C@@H]1C ZINC000993699829 647734155 /nfs/dbraw/zinc/73/41/55/647734155.db2.gz ATBCNWSBDSPXNP-ZFWWWQNUSA-N 1 3 305.422 2.110 20 30 DEEDHO C=CC[N@H+]1CCC[C@H](NC(=O)c2occc2CN(C)C)[C@@H]1C ZINC000993699829 647734157 /nfs/dbraw/zinc/73/41/57/647734157.db2.gz ATBCNWSBDSPXNP-ZFWWWQNUSA-N 1 3 305.422 2.110 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H](NC(=O)c2occc2CN(C)C)[C@@H]1C ZINC000993699829 647734161 /nfs/dbraw/zinc/73/41/61/647734161.db2.gz ATBCNWSBDSPXNP-ZFWWWQNUSA-N 1 3 305.422 2.110 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](C)C1 ZINC000942555230 649246036 /nfs/dbraw/zinc/24/60/36/649246036.db2.gz GRZBPQHMOKXSHU-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](C)C1 ZINC000942555230 649246038 /nfs/dbraw/zinc/24/60/38/649246038.db2.gz GRZBPQHMOKXSHU-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945092272 649611254 /nfs/dbraw/zinc/61/12/54/649611254.db2.gz QCZOEXONTYFAGN-QAPCUYQASA-N 1 3 315.461 2.374 20 30 DEEDHO C=CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945092272 649611257 /nfs/dbraw/zinc/61/12/57/649611257.db2.gz QCZOEXONTYFAGN-QAPCUYQASA-N 1 3 315.461 2.374 20 30 DEEDHO C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001392197052 1156888136 /nfs/dbraw/zinc/88/81/36/1156888136.db2.gz VDZGLTXMCWDRLP-CABCVRRESA-N 1 3 315.889 2.297 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCSc1ccccc1 ZINC000104156750 684058611 /nfs/dbraw/zinc/05/86/11/684058611.db2.gz LEAVGCIPOSMOAM-CQSZACIVSA-N 1 3 306.479 2.167 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054143949 693860471 /nfs/dbraw/zinc/86/04/71/693860471.db2.gz MSRJETIHSBNMOV-GOSISDBHSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054143949 693860474 /nfs/dbraw/zinc/86/04/74/693860474.db2.gz MSRJETIHSBNMOV-GOSISDBHSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001054191938 693876138 /nfs/dbraw/zinc/87/61/38/693876138.db2.gz PDTRJKYTAOWKLH-MJGOQNOKSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001054191938 693876144 /nfs/dbraw/zinc/87/61/44/693876144.db2.gz PDTRJKYTAOWKLH-MJGOQNOKSA-N 1 3 321.509 2.463 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOc1cc(C)cc(C)c1 ZINC000303873841 685236350 /nfs/dbraw/zinc/23/63/50/685236350.db2.gz GXNAPLUWLFBWQD-INIZCTEOSA-N 1 3 318.465 2.071 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCc2ccccc21 ZINC000303909305 685240284 /nfs/dbraw/zinc/24/02/84/685240284.db2.gz YCBJOHZHLWKVNX-IAGOWNOFSA-N 1 3 314.477 2.495 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001015978278 687489431 /nfs/dbraw/zinc/48/94/31/687489431.db2.gz YNVNLJIMDJYUJC-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001015978278 687489435 /nfs/dbraw/zinc/48/94/35/687489435.db2.gz YNVNLJIMDJYUJC-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001016761543 687697248 /nfs/dbraw/zinc/69/72/48/687697248.db2.gz MPVSCYQJWFUVQJ-INIZCTEOSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCN1CCC(NC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868185766 687940133 /nfs/dbraw/zinc/94/01/33/687940133.db2.gz BBQRVIXDMDOMNR-DLBZAZTESA-N 1 3 314.433 2.273 20 30 DEEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001017834938 687969120 /nfs/dbraw/zinc/96/91/20/687969120.db2.gz AZUQQQZLAHKNFM-KURKYZTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001017834938 687969125 /nfs/dbraw/zinc/96/91/25/687969125.db2.gz AZUQQQZLAHKNFM-KURKYZTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001032799770 689263802 /nfs/dbraw/zinc/26/38/02/689263802.db2.gz LJYYTCIWTFUYGF-ROUUACIJSA-N 1 3 313.445 2.223 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)N2CCCCCC2)C1 ZINC001033466009 689510916 /nfs/dbraw/zinc/51/09/16/689510916.db2.gz BNUVRYXPRKKONL-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)N2CCCCCC2)C1 ZINC001033466009 689510919 /nfs/dbraw/zinc/51/09/19/689510919.db2.gz BNUVRYXPRKKONL-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001034204704 689761951 /nfs/dbraw/zinc/76/19/51/689761951.db2.gz PGFAGKGBDDVCGF-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001034204704 689761952 /nfs/dbraw/zinc/76/19/52/689761952.db2.gz PGFAGKGBDDVCGF-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000876714102 689912524 /nfs/dbraw/zinc/91/25/24/689912524.db2.gz WQAIQSHPWCRWOG-CYBMUJFWSA-N 1 3 301.862 2.227 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000876913984 689971742 /nfs/dbraw/zinc/97/17/42/689971742.db2.gz AOQUXEYVLAVUPV-JTQLQIEISA-N 1 3 314.842 2.019 20 30 DEEDHO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035194230 690056154 /nfs/dbraw/zinc/05/61/54/690056154.db2.gz WSLIKWURXQMMBS-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035194230 690056159 /nfs/dbraw/zinc/05/61/59/690056159.db2.gz WSLIKWURXQMMBS-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035194260 690056610 /nfs/dbraw/zinc/05/66/10/690056610.db2.gz XYAOPHSCSBHVMD-KRWDZBQOSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035194260 690056612 /nfs/dbraw/zinc/05/66/12/690056612.db2.gz XYAOPHSCSBHVMD-KRWDZBQOSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001036055656 690248125 /nfs/dbraw/zinc/24/81/25/690248125.db2.gz QQZCDBMFKSOWTC-JSGCOSHPSA-N 1 3 313.873 2.050 20 30 DEEDHO C=CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001036306752 690316043 /nfs/dbraw/zinc/31/60/43/690316043.db2.gz YMDQEUCDJZQORH-YJBOKZPZSA-N 1 3 315.461 2.374 20 30 DEEDHO C=CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001036716533 690443249 /nfs/dbraw/zinc/44/32/49/690443249.db2.gz HLEIMENLWLUHAZ-IRXDYDNUSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001036716533 690443252 /nfs/dbraw/zinc/44/32/52/690443252.db2.gz HLEIMENLWLUHAZ-IRXDYDNUSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038246088 690755371 /nfs/dbraw/zinc/75/53/71/690755371.db2.gz BOPGUIASWQRGFG-AEFFLSMTSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038246088 690755375 /nfs/dbraw/zinc/75/53/75/690755375.db2.gz BOPGUIASWQRGFG-AEFFLSMTSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCCN1CC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038554551 690855381 /nfs/dbraw/zinc/85/53/81/690855381.db2.gz GOUCUBSBNDEESM-KRWDZBQOSA-N 1 3 315.461 2.171 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039116091 691024164 /nfs/dbraw/zinc/02/41/64/691024164.db2.gz QLYFZTQBXNSLQD-MSOLQXFVSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039116091 691024166 /nfs/dbraw/zinc/02/41/66/691024166.db2.gz QLYFZTQBXNSLQD-MSOLQXFVSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001040251357 691221060 /nfs/dbraw/zinc/22/10/60/691221060.db2.gz XHMXGFNDGYNCNT-PKOBYXMFSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001040251357 691221063 /nfs/dbraw/zinc/22/10/63/691221063.db2.gz XHMXGFNDGYNCNT-PKOBYXMFSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H](C)C1 ZINC001044794649 691888473 /nfs/dbraw/zinc/88/84/73/691888473.db2.gz XNPJTVQISSKEKJ-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049845621 693020194 /nfs/dbraw/zinc/02/01/94/693020194.db2.gz BDQDPDUOJXHYME-CABCVRRESA-N 1 3 316.449 2.329 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049845621 693020199 /nfs/dbraw/zinc/02/01/99/693020199.db2.gz BDQDPDUOJXHYME-CABCVRRESA-N 1 3 316.449 2.329 20 30 DEEDHO C=CCN1C[C@@H]2CCCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001050157391 693124282 /nfs/dbraw/zinc/12/42/82/693124282.db2.gz DDCNVOVAIQVMSD-FGTMMUONSA-N 1 3 319.493 2.360 20 30 DEEDHO N#Cc1cccc(CN2CCC([NH2+][C@H]3C[C@@H](N)C34CCC4)CC2)c1 ZINC000925702138 693326455 /nfs/dbraw/zinc/32/64/55/693326455.db2.gz LZLITPOYJWDAFP-MOPGFXCFSA-N 1 3 324.472 2.382 20 30 DEEDHO N#Cc1cccc(CN2CCC([NH2+][C@@H]3C[C@@H](N)C34CCC4)CC2)c1 ZINC000925702141 693326850 /nfs/dbraw/zinc/32/68/50/693326850.db2.gz LZLITPOYJWDAFP-RTBURBONSA-N 1 3 324.472 2.382 20 30 DEEDHO CC1(C)[NH2+]CC[C@@H]1NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000925704493 693327301 /nfs/dbraw/zinc/32/73/01/693327301.db2.gz XNBLOCHFZNGNHH-SFHVURJKSA-N 1 3 312.461 2.253 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001052764686 693614515 /nfs/dbraw/zinc/61/45/15/693614515.db2.gz QRUYOFNGLMNEJV-QZTJIDSGSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001052764686 693614518 /nfs/dbraw/zinc/61/45/18/693614518.db2.gz QRUYOFNGLMNEJV-QZTJIDSGSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001052859270 693634594 /nfs/dbraw/zinc/63/45/94/693634594.db2.gz KRDAKAYAQCYJAS-MSOLQXFVSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001052859270 693634598 /nfs/dbraw/zinc/63/45/98/693634598.db2.gz KRDAKAYAQCYJAS-MSOLQXFVSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCCN(C)CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C(C)C ZINC001332736102 1149886210 /nfs/dbraw/zinc/88/62/10/1149886210.db2.gz WCVRDHQBNOBKAK-MSOLQXFVSA-N 1 3 319.493 2.195 20 30 DEEDHO C#CCCN(C)CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C(C)C ZINC001332736102 1149886212 /nfs/dbraw/zinc/88/62/12/1149886212.db2.gz WCVRDHQBNOBKAK-MSOLQXFVSA-N 1 3 319.493 2.195 20 30 DEEDHO C=C(Cl)CNCC1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001381343987 1153012137 /nfs/dbraw/zinc/01/21/37/1153012137.db2.gz VSNKBDMHGRKACH-UHFFFAOYSA-N 1 3 313.873 2.099 20 30 DEEDHO C=C(Cl)CNCC(C)(C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001447965847 1184981196 /nfs/dbraw/zinc/98/11/96/1184981196.db2.gz SBJHGXBALBEKPF-UHFFFAOYSA-N 1 3 315.889 2.155 20 30 DEEDHO C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001099225189 782701111 /nfs/dbraw/zinc/70/11/11/782701111.db2.gz OALOJFDSRKUSCM-DLBZAZTESA-N 1 3 321.509 2.203 20 30 DEEDHO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001099225189 782701119 /nfs/dbraw/zinc/70/11/19/782701119.db2.gz OALOJFDSRKUSCM-DLBZAZTESA-N 1 3 321.509 2.203 20 30 DEEDHO C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106783068 782932772 /nfs/dbraw/zinc/93/27/72/782932772.db2.gz GFGHBGFLJAESMJ-IXDOHACOSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089493458 783158666 /nfs/dbraw/zinc/15/86/66/783158666.db2.gz XBEFTUNHICGCHD-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089493458 783158671 /nfs/dbraw/zinc/15/86/71/783158671.db2.gz XBEFTUNHICGCHD-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1ccccc1 ZINC001211680075 778561375 /nfs/dbraw/zinc/56/13/75/778561375.db2.gz GAUIEVSBEJMGRS-ZWKOTPCHSA-N 1 3 324.428 2.113 20 30 DEEDHO CC#CCN1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087602681 779373831 /nfs/dbraw/zinc/37/38/31/779373831.db2.gz ZUBCQNKNIHKKLB-OKZBNKHCSA-N 1 3 319.493 2.242 20 30 DEEDHO CC#CCN1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087602681 779373835 /nfs/dbraw/zinc/37/38/35/779373835.db2.gz ZUBCQNKNIHKKLB-OKZBNKHCSA-N 1 3 319.493 2.242 20 30 DEEDHO C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203426396 780120083 /nfs/dbraw/zinc/12/00/83/780120083.db2.gz JPYIKCKIVLORMH-HZPDHXFCSA-N 1 3 319.493 2.005 20 30 DEEDHO C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H](CC)N(C)C)CCC1 ZINC001105544262 780747390 /nfs/dbraw/zinc/74/73/90/780747390.db2.gz FYGCRGVDSCAWBR-IAGOWNOFSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(Cl)CNC1CC(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001091057915 790872920 /nfs/dbraw/zinc/87/29/20/790872920.db2.gz GNZSADUMJSMAIX-YMAMQOFZSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CNC1CC(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001091057915 790872935 /nfs/dbraw/zinc/87/29/35/790872935.db2.gz GNZSADUMJSMAIX-YMAMQOFZSA-N 1 3 313.873 2.098 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC)[C@H](C)C2)CC1 ZINC000948069522 783311515 /nfs/dbraw/zinc/31/15/15/783311515.db2.gz IGUWHHNCPUSZIU-AEFFLSMTSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCC)[C@H](C)C2)CC1 ZINC000948069522 783311524 /nfs/dbraw/zinc/31/15/24/783311524.db2.gz IGUWHHNCPUSZIU-AEFFLSMTSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948244722 783391457 /nfs/dbraw/zinc/39/14/57/783391457.db2.gz IYSIAIMGCJTLDE-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948244722 783391466 /nfs/dbraw/zinc/39/14/66/783391466.db2.gz IYSIAIMGCJTLDE-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967205552 783906146 /nfs/dbraw/zinc/90/61/46/783906146.db2.gz LFRSVFKDCAHSSE-IAGOWNOFSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967205552 783906147 /nfs/dbraw/zinc/90/61/47/783906147.db2.gz LFRSVFKDCAHSSE-IAGOWNOFSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001085668884 783943423 /nfs/dbraw/zinc/94/34/23/783943423.db2.gz MUIDLXTVPHUENJ-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001008052745 785092712 /nfs/dbraw/zinc/09/27/12/785092712.db2.gz OPCKOOMASSXALS-IRXDYDNUSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001008052745 785092724 /nfs/dbraw/zinc/09/27/24/785092724.db2.gz OPCKOOMASSXALS-IRXDYDNUSA-N 1 3 305.466 2.018 20 30 DEEDHO C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171247580 791122617 /nfs/dbraw/zinc/12/26/17/791122617.db2.gz MKYSYJCVSCUEQI-DZGCQCFKSA-N 1 3 315.889 2.344 20 30 DEEDHO C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C(C)C)C2 ZINC001112586253 786165238 /nfs/dbraw/zinc/16/52/38/786165238.db2.gz POYFLCGUMAQWSU-WMZOPIPTSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCCN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001014731177 786730375 /nfs/dbraw/zinc/73/03/75/786730375.db2.gz ZNVYYYWKUZJBFO-DOTOQJQBSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCCN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001014731177 786730383 /nfs/dbraw/zinc/73/03/83/786730383.db2.gz ZNVYYYWKUZJBFO-DOTOQJQBSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](F)CN(CC)CC ZINC001158029667 787453295 /nfs/dbraw/zinc/45/32/95/787453295.db2.gz LKHJBQVOCKTOJM-HZPDHXFCSA-N 1 3 313.461 2.165 20 30 DEEDHO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](F)CN(CC)CC ZINC001158029667 787453301 /nfs/dbraw/zinc/45/33/01/787453301.db2.gz LKHJBQVOCKTOJM-HZPDHXFCSA-N 1 3 313.461 2.165 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001096104192 787506877 /nfs/dbraw/zinc/50/68/77/787506877.db2.gz FJYAAOUYFCIKDT-IKGGRYGDSA-N 1 3 305.466 2.016 20 30 DEEDHO C=CCN1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132141217 787945969 /nfs/dbraw/zinc/94/59/69/787945969.db2.gz PRDBQICFLSYNDC-JKSUJKDBSA-N 1 3 316.449 2.063 20 30 DEEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1CC(C)C)C2 ZINC001097405947 788096863 /nfs/dbraw/zinc/09/68/63/788096863.db2.gz RXAFAEMPABWMLR-BDXSIMOUSA-N 1 3 319.493 2.404 20 30 DEEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1CC(C)C)C2 ZINC001097405947 788096873 /nfs/dbraw/zinc/09/68/73/788096873.db2.gz RXAFAEMPABWMLR-BDXSIMOUSA-N 1 3 319.493 2.404 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133850956 788632821 /nfs/dbraw/zinc/63/28/21/788632821.db2.gz SHQOBLKFSASSKG-PBHICJAKSA-N 1 3 313.461 2.259 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC2CC2)CC1 ZINC001146610941 791322911 /nfs/dbraw/zinc/32/29/11/791322911.db2.gz LBXFCNJDYFSERX-HOTGVXAUSA-N 1 3 319.493 2.005 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCC)CC1 ZINC001146614612 791323868 /nfs/dbraw/zinc/32/38/68/791323868.db2.gz ZATWKJJADDXXMT-IRXDYDNUSA-N 1 3 321.509 2.395 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001147772772 791611827 /nfs/dbraw/zinc/61/18/27/791611827.db2.gz CKRVGZLGTLPRBE-HZPDHXFCSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001147772772 791611834 /nfs/dbraw/zinc/61/18/34/791611834.db2.gz CKRVGZLGTLPRBE-HZPDHXFCSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)CN(CC)CC)C2)C1 ZINC001148469063 791750900 /nfs/dbraw/zinc/75/09/00/791750900.db2.gz BDCHCLKTHVDFEA-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CN(CC)CC)C2)C1 ZINC001148469063 791750905 /nfs/dbraw/zinc/75/09/05/791750905.db2.gz BDCHCLKTHVDFEA-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001086943350 791858011 /nfs/dbraw/zinc/85/80/11/791858011.db2.gz RQOHASGZKTXOED-HOTGVXAUSA-N 1 3 307.482 2.216 20 30 DEEDHO C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)N(C)CC ZINC001099130716 792108775 /nfs/dbraw/zinc/10/87/75/792108775.db2.gz QMVMPFMRWTZCLK-INIZCTEOSA-N 1 3 321.509 2.347 20 30 DEEDHO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)N(C)CC ZINC001099130716 792108780 /nfs/dbraw/zinc/10/87/80/792108780.db2.gz QMVMPFMRWTZCLK-INIZCTEOSA-N 1 3 321.509 2.347 20 30 DEEDHO C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001099130716 792108785 /nfs/dbraw/zinc/10/87/85/792108785.db2.gz QMVMPFMRWTZCLK-INIZCTEOSA-N 1 3 321.509 2.347 20 30 DEEDHO C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[N@H+](C)CC ZINC001099130716 792108790 /nfs/dbraw/zinc/10/87/90/792108790.db2.gz QMVMPFMRWTZCLK-INIZCTEOSA-N 1 3 321.509 2.347 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001103088427 793935799 /nfs/dbraw/zinc/93/57/99/793935799.db2.gz AMTCGXSHHLGIGA-NXHRZFHOSA-N 1 3 321.509 2.367 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001103088427 793935806 /nfs/dbraw/zinc/93/58/06/793935806.db2.gz AMTCGXSHHLGIGA-NXHRZFHOSA-N 1 3 321.509 2.367 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550407 794141140 /nfs/dbraw/zinc/14/11/40/794141140.db2.gz ODPOFFYQLKZJAY-IAGOWNOFSA-N 1 3 309.498 2.369 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550407 794141143 /nfs/dbraw/zinc/14/11/43/794141143.db2.gz ODPOFFYQLKZJAY-IAGOWNOFSA-N 1 3 309.498 2.369 20 30 DEEDHO C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001112399485 794622564 /nfs/dbraw/zinc/62/25/64/794622564.db2.gz WDGPFBQEEGTZGZ-SCTDSRPQSA-N 1 3 319.493 2.121 20 30 DEEDHO C=CC[NH2+]C1(CNC(=O)[C@H]2CCCN2CCC)CCCCC1 ZINC001115562747 794823152 /nfs/dbraw/zinc/82/31/52/794823152.db2.gz IQIFLNSNPNQMDZ-MRXNPFEDSA-N 1 3 307.482 2.456 20 30 DEEDHO C=CCC[NH2+]C[C@]1(C)CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001182614141 795721804 /nfs/dbraw/zinc/72/18/04/795721804.db2.gz CBOCNOVSDUBBOA-SOLBZPMBSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001184565554 796084423 /nfs/dbraw/zinc/08/44/23/796084423.db2.gz JWEVRUDNGTYOGI-JKSUJKDBSA-N 1 3 307.482 2.121 20 30 DEEDHO C#CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCCCCC)C[C@@H]1C ZINC001185316929 796228153 /nfs/dbraw/zinc/22/81/53/796228153.db2.gz KVCCPHQZFDPJID-ROUUACIJSA-N 1 3 321.509 2.206 20 30 DEEDHO C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001194266361 797702541 /nfs/dbraw/zinc/70/25/41/797702541.db2.gz QBTVRENUFYPQFR-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001194266361 797702543 /nfs/dbraw/zinc/70/25/43/797702543.db2.gz QBTVRENUFYPQFR-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196023854 797995435 /nfs/dbraw/zinc/99/54/35/797995435.db2.gz DGQLTNBJMDMFHP-INIZCTEOSA-N 1 3 313.461 2.167 20 30 DEEDHO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196023854 797995440 /nfs/dbraw/zinc/99/54/40/797995440.db2.gz DGQLTNBJMDMFHP-INIZCTEOSA-N 1 3 313.461 2.167 20 30 DEEDHO C#CCN1CCC(C(=O)N2CCC[N@@H+](CCCCC)CC2)CC1 ZINC001198236428 798301462 /nfs/dbraw/zinc/30/14/62/798301462.db2.gz LAKPZFWJZRXHPM-UHFFFAOYSA-N 1 3 319.493 2.056 20 30 DEEDHO C#CCN1CCC(C(=O)N2CCC[N@H+](CCCCC)CC2)CC1 ZINC001198236428 798301467 /nfs/dbraw/zinc/30/14/67/798301467.db2.gz LAKPZFWJZRXHPM-UHFFFAOYSA-N 1 3 319.493 2.056 20 30 DEEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001158289391 798376894 /nfs/dbraw/zinc/37/68/94/798376894.db2.gz GRZZUOGOPUGFQR-MSOLQXFVSA-N 1 3 319.493 2.360 20 30 DEEDHO CCCCCCCCCCN(C)C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001161221497 798812450 /nfs/dbraw/zinc/81/24/50/798812450.db2.gz SCXKXNGLBRZREZ-INIZCTEOSA-N 1 3 309.498 2.395 20 30 DEEDHO C#CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001161953351 798978715 /nfs/dbraw/zinc/97/87/15/798978715.db2.gz SYRCOQQISXDODD-GOSISDBHSA-N 1 3 317.477 2.023 20 30 DEEDHO C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001161953351 798978720 /nfs/dbraw/zinc/97/87/20/798978720.db2.gz SYRCOQQISXDODD-GOSISDBHSA-N 1 3 317.477 2.023 20 30 DEEDHO CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(CC)CC ZINC001115001421 799080897 /nfs/dbraw/zinc/08/08/97/799080897.db2.gz XVXRWGXDVYSXOK-VQFNDLOPSA-N 1 3 309.498 2.345 20 30 DEEDHO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(CC)CC ZINC001115001421 799080908 /nfs/dbraw/zinc/08/09/08/799080908.db2.gz XVXRWGXDVYSXOK-VQFNDLOPSA-N 1 3 309.498 2.345 20 30 DEEDHO C=CCCC[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166686996 799921487 /nfs/dbraw/zinc/92/14/87/799921487.db2.gz GMOAZWOQYPSZGC-KRWDZBQOSA-N 1 3 313.461 2.261 20 30 DEEDHO C=CCCC[NH+]1CCC(NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001230334038 801389579 /nfs/dbraw/zinc/38/95/79/801389579.db2.gz DJIWPMGRLCSHDF-HZPDHXFCSA-N 1 3 307.482 2.406 20 30 DEEDHO N#Cc1c(NC(=O)[C@@H]([NH3+])CC2CCCC2)sc2c1CCNC2 ZINC001218553247 802204158 /nfs/dbraw/zinc/20/41/58/802204158.db2.gz OIRWKWAIVGQCLS-ZDUSSCGKSA-N 1 3 318.446 2.112 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N(C)CC)[C@@H]2C1 ZINC001221657020 802602135 /nfs/dbraw/zinc/60/21/35/802602135.db2.gz FWUREDVLHCDSKS-HZPDHXFCSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N(C)CC)[C@@H]2C1 ZINC001221657020 802602138 /nfs/dbraw/zinc/60/21/38/802602138.db2.gz FWUREDVLHCDSKS-HZPDHXFCSA-N 1 3 307.482 2.216 20 30 DEEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222027453 802634270 /nfs/dbraw/zinc/63/42/70/802634270.db2.gz WPLZDNANIGBWFT-QZTJIDSGSA-N 1 3 319.493 2.361 20 30 DEEDHO CC#CC[NH+]1CCC(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001223202580 802772890 /nfs/dbraw/zinc/77/28/90/802772890.db2.gz IHGINUTWDKKGJF-UHFFFAOYSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(C)CC[NH+]1CCC(CNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001223466377 802792291 /nfs/dbraw/zinc/79/22/91/802792291.db2.gz RKGQGCLSDVGGJS-KRWDZBQOSA-N 1 3 307.482 2.121 20 30 DEEDHO CC#CCN[C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001331529540 1149513877 /nfs/dbraw/zinc/51/38/77/1149513877.db2.gz KVEQPIJSIKJOAR-WMZOPIPTSA-N 1 3 319.493 2.243 20 30 DEEDHO CC#CCN[C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001331529540 1149513908 /nfs/dbraw/zinc/51/39/08/1149513908.db2.gz KVEQPIJSIKJOAR-WMZOPIPTSA-N 1 3 319.493 2.243 20 30 DEEDHO C[C@@H](CNCCC(=O)Nc1cccc(C#N)c1)C[NH+]1CCCC1 ZINC001345607422 1150898772 /nfs/dbraw/zinc/89/87/72/1150898772.db2.gz XVENXRUOAKVDDL-HNNXBMFYSA-N 1 3 314.433 2.208 20 30 DEEDHO C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001328787697 1148835421 /nfs/dbraw/zinc/83/54/21/1148835421.db2.gz XVLCRUOQSCZICZ-SJORKVTESA-N 1 3 309.498 2.462 20 30 DEEDHO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001328787697 1148835422 /nfs/dbraw/zinc/83/54/22/1148835422.db2.gz XVLCRUOQSCZICZ-SJORKVTESA-N 1 3 309.498 2.462 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001500546611 1058910476 /nfs/dbraw/zinc/91/04/76/1058910476.db2.gz DIVSCOSEGGJFDQ-GOSISDBHSA-N 1 3 318.465 2.445 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001500546611 1058910488 /nfs/dbraw/zinc/91/04/88/1058910488.db2.gz DIVSCOSEGGJFDQ-GOSISDBHSA-N 1 3 318.465 2.445 20 30 DEEDHO C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001505473813 1060643617 /nfs/dbraw/zinc/64/36/17/1060643617.db2.gz YQRZAKBHKFYSPV-IRXDYDNUSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001505473813 1060643623 /nfs/dbraw/zinc/64/36/23/1060643623.db2.gz YQRZAKBHKFYSPV-IRXDYDNUSA-N 1 3 307.482 2.075 20 30 DEEDHO CC#CCN(C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001479791772 1061774447 /nfs/dbraw/zinc/77/44/47/1061774447.db2.gz SGMOYRWADOQCIZ-SFHVURJKSA-N 1 3 319.493 2.245 20 30 DEEDHO CC#CCN(C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001479791772 1061774466 /nfs/dbraw/zinc/77/44/66/1061774466.db2.gz SGMOYRWADOQCIZ-SFHVURJKSA-N 1 3 319.493 2.245 20 30 DEEDHO CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001507027623 1062692072 /nfs/dbraw/zinc/69/20/72/1062692072.db2.gz RKLOFCOTRZSCPZ-MSOLQXFVSA-N 1 3 319.493 2.099 20 30 DEEDHO C=C(C)C[NH+]1CCC([C@H](C)NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001508081618 1063541585 /nfs/dbraw/zinc/54/15/85/1063541585.db2.gz PHZBXSMVOPFUQI-CVEARBPZSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001567742937 1064397634 /nfs/dbraw/zinc/39/76/34/1064397634.db2.gz VODWPWJTGKKJNJ-DLBZAZTESA-N 1 3 309.498 2.462 20 30 DEEDHO C=CCC[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001567742937 1064397637 /nfs/dbraw/zinc/39/76/37/1064397637.db2.gz VODWPWJTGKKJNJ-DLBZAZTESA-N 1 3 309.498 2.462 20 30 DEEDHO C=CCC[NH2+][C@@H](CC)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001567976831 1064574852 /nfs/dbraw/zinc/57/48/52/1064574852.db2.gz KQGSLOPWSNDOJW-YOEHRIQHSA-N 1 3 313.461 2.259 20 30 DEEDHO C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001568067560 1064630167 /nfs/dbraw/zinc/63/01/67/1064630167.db2.gz DRNLHLGKEZOLPE-DLBZAZTESA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001611434436 1078101567 /nfs/dbraw/zinc/10/15/67/1078101567.db2.gz VIFRDJSEBSDUDP-SFHVURJKSA-N 1 3 315.461 2.448 20 30 DEEDHO C=C(Cl)CNCC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001568695261 1065056124 /nfs/dbraw/zinc/05/61/24/1065056124.db2.gz ZOYJHPKTJRZEDP-CQSZACIVSA-N 1 3 315.889 2.344 20 30 DEEDHO C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H](C)N1CCCCCC1 ZINC001496297124 1065391935 /nfs/dbraw/zinc/39/19/35/1065391935.db2.gz SIBPNVVISXOYQZ-QZTJIDSGSA-N 1 3 321.509 2.395 20 30 DEEDHO C#CCN1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001569715321 1065687594 /nfs/dbraw/zinc/68/75/94/1065687594.db2.gz MOONNQRNJRNFCJ-IBGZPJMESA-N 1 3 319.493 2.102 20 30 DEEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1CC ZINC001498897380 1066945246 /nfs/dbraw/zinc/94/52/46/1066945246.db2.gz CXNDJTYSVIYFOM-CVEARBPZSA-N 1 3 309.498 2.367 20 30 DEEDHO CCCCCCCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001498978312 1066998646 /nfs/dbraw/zinc/99/86/46/1066998646.db2.gz AWHHXJKWOARILN-BRWVUGGUSA-N 1 3 309.498 2.488 20 30 DEEDHO CCCCCCCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001498978312 1066998650 /nfs/dbraw/zinc/99/86/50/1066998650.db2.gz AWHHXJKWOARILN-BRWVUGGUSA-N 1 3 309.498 2.488 20 30 DEEDHO CC#CCN1CCC2(CCN(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001499585343 1067267856 /nfs/dbraw/zinc/26/78/56/1067267856.db2.gz UFKUELRSZQBQJJ-UHFFFAOYSA-N 1 3 319.493 2.056 20 30 DEEDHO CC#CCN1CCC2(CCN(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001499585343 1067267865 /nfs/dbraw/zinc/26/78/65/1067267865.db2.gz UFKUELRSZQBQJJ-UHFFFAOYSA-N 1 3 319.493 2.056 20 30 DEEDHO CC#CCN1CCCCC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001570825553 1068131317 /nfs/dbraw/zinc/13/13/17/1068131317.db2.gz UVHLIFKPLYRWTC-ROUUACIJSA-N 1 3 321.509 2.491 20 30 DEEDHO C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001570841398 1068136714 /nfs/dbraw/zinc/13/67/14/1068136714.db2.gz LOHXUYDJXGKWBL-RDJZCZTQSA-N 1 3 307.482 2.262 20 30 DEEDHO CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001267568717 1079004469 /nfs/dbraw/zinc/00/44/69/1079004469.db2.gz XDAKXXYUEONHPT-QZTJIDSGSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001267568717 1079004475 /nfs/dbraw/zinc/00/44/75/1079004475.db2.gz XDAKXXYUEONHPT-QZTJIDSGSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+](CCNC(=O)CN(C)C(C)C)C1CCCCCC1 ZINC001483814858 1079139106 /nfs/dbraw/zinc/13/91/06/1079139106.db2.gz FNXCUEKZSCFKHC-UHFFFAOYSA-N 1 3 321.509 2.491 20 30 DEEDHO C#CCC[N@H+](CCNC(=O)CN(C)C(C)C)C1CCCCCC1 ZINC001483814858 1079139113 /nfs/dbraw/zinc/13/91/13/1079139113.db2.gz FNXCUEKZSCFKHC-UHFFFAOYSA-N 1 3 321.509 2.491 20 30 DEEDHO C#CCC[NH2+]C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1CCCC1 ZINC001484009511 1079239798 /nfs/dbraw/zinc/23/97/98/1079239798.db2.gz OJWOFHZGMPPPFT-QGZVFWFLSA-N 1 3 321.509 2.252 20 30 DEEDHO C#CCN(CCC)CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001481140219 1079247160 /nfs/dbraw/zinc/24/71/60/1079247160.db2.gz KVMDPTHIFGIUGO-UHFFFAOYSA-N 1 3 307.482 2.101 20 30 DEEDHO C#CCN(CCC)CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001481140219 1079247163 /nfs/dbraw/zinc/24/71/63/1079247163.db2.gz KVMDPTHIFGIUGO-UHFFFAOYSA-N 1 3 307.482 2.101 20 30 DEEDHO C#CCC[NH+]1CCC(N(CCC)C(=O)CN(C)C2CCC2)CC1 ZINC001566697887 1075320136 /nfs/dbraw/zinc/32/01/36/1075320136.db2.gz ROQCPZNWFIEMEO-UHFFFAOYSA-N 1 3 319.493 2.197 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCN2CCC)C1 ZINC001267764744 1079469088 /nfs/dbraw/zinc/46/90/88/1079469088.db2.gz YMDKGQXAZNYKSH-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCN2CCC)C1 ZINC001267764744 1079469090 /nfs/dbraw/zinc/46/90/90/1079469090.db2.gz YMDKGQXAZNYKSH-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCCCC[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001484900097 1079843990 /nfs/dbraw/zinc/84/39/90/1079843990.db2.gz REXFIHCZCJWNRV-ZBFHGGJFSA-N 1 3 304.438 2.135 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN(C)CCC ZINC001485045220 1079928258 /nfs/dbraw/zinc/92/82/58/1079928258.db2.gz PMPPZAGLGLQLAC-IEBWSBKVSA-N 1 3 315.461 2.276 20 30 DEEDHO C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2 ZINC001268045868 1079936651 /nfs/dbraw/zinc/93/66/51/1079936651.db2.gz LKTMHATZIXHRIQ-QGZVFWFLSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001481510580 1079973681 /nfs/dbraw/zinc/97/36/81/1079973681.db2.gz YZYOTECHKBCPSK-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001481510580 1079973685 /nfs/dbraw/zinc/97/36/85/1079973685.db2.gz YZYOTECHKBCPSK-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@@H+](C)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001481521903 1079992406 /nfs/dbraw/zinc/99/24/06/1079992406.db2.gz WVROSYMBPAYKES-UHFFFAOYSA-N 1 3 309.498 2.463 20 30 DEEDHO C=C(C)CC[N@H+](C)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001481521903 1079992413 /nfs/dbraw/zinc/99/24/13/1079992413.db2.gz WVROSYMBPAYKES-UHFFFAOYSA-N 1 3 309.498 2.463 20 30 DEEDHO C=C(Cl)CN[C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001485144951 1080011857 /nfs/dbraw/zinc/01/18/57/1080011857.db2.gz AQUHXABCUQWSLO-ZIAGYGMSSA-N 1 3 315.889 2.486 20 30 DEEDHO C#CCN1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CCCCC)CC1 ZINC001656108946 1080048163 /nfs/dbraw/zinc/04/81/63/1080048163.db2.gz ARTYAJVEBZJYQN-GOSISDBHSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCN1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CCCCC)CC1 ZINC001656108946 1080048171 /nfs/dbraw/zinc/04/81/71/1080048171.db2.gz ARTYAJVEBZJYQN-GOSISDBHSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001656909881 1080138240 /nfs/dbraw/zinc/13/82/40/1080138240.db2.gz SIPPSGMVSQHFTH-QZTJIDSGSA-N 1 3 319.493 2.245 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001485706477 1080372670 /nfs/dbraw/zinc/37/26/70/1080372670.db2.gz HMHWHCMEPPNFGL-BRWVUGGUSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCCCC1 ZINC001115662001 1080613319 /nfs/dbraw/zinc/61/33/19/1080613319.db2.gz YTAYNRHNHUOZLY-UHFFFAOYSA-N 1 3 307.482 2.456 20 30 DEEDHO C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001662863826 1080669352 /nfs/dbraw/zinc/66/93/52/1080669352.db2.gz ZPNCXFDUEWYPDD-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001662863826 1080669359 /nfs/dbraw/zinc/66/93/59/1080669359.db2.gz ZPNCXFDUEWYPDD-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001662863825 1080670037 /nfs/dbraw/zinc/67/00/37/1080670037.db2.gz ZPNCXFDUEWYPDD-IRXDYDNUSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001662863825 1080670044 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/nfs/dbraw/zinc/88/36/33/1081883633.db2.gz FYZAZWMKCFIYRZ-IRXDYDNUSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001271717912 1082118561 /nfs/dbraw/zinc/11/85/61/1082118561.db2.gz YAYOTEAQWGSENJ-DOTOQJQBSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCN(C(=O)CN(C)C(C)C)C1CC[NH+](CCCC=C)CC1 ZINC001671507702 1082165802 /nfs/dbraw/zinc/16/58/02/1082165802.db2.gz GTNOLANHRFEMQG-UHFFFAOYSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266752774 1082322952 /nfs/dbraw/zinc/32/29/52/1082322952.db2.gz WRGJPWHWNYGOAX-IRXDYDNUSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266752774 1082322959 /nfs/dbraw/zinc/32/29/59/1082322959.db2.gz WRGJPWHWNYGOAX-IRXDYDNUSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCCN1CC ZINC001266884061 1082427930 /nfs/dbraw/zinc/42/79/30/1082427930.db2.gz KOHTUJJTALWJHQ-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCNC[C@@]3(CCCC(=O)N3)C2)CC1 ZINC001235174315 1084336109 /nfs/dbraw/zinc/33/61/09/1084336109.db2.gz GVLOMVMIEYHWTD-MJGOQNOKSA-N 1 3 317.477 2.233 20 30 DEEDHO C=C(C)[C@@H]1CC=C(C[N@H+]2CCNC[C@@]3(CCCC(=O)N3)C2)CC1 ZINC001235174315 1084336119 /nfs/dbraw/zinc/33/61/19/1084336119.db2.gz GVLOMVMIEYHWTD-MJGOQNOKSA-N 1 3 317.477 2.233 20 30 DEEDHO C=C(C)CN1CCC2(CCN(CC(C)(C)C[NH+](C)C)CC2)C1=O ZINC001272870174 1084400382 /nfs/dbraw/zinc/40/03/82/1084400382.db2.gz JPOZTISXIVHRIR-UHFFFAOYSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCCCN1CC[C@@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001235722017 1084512846 /nfs/dbraw/zinc/51/28/46/1084512846.db2.gz HZJORSRWQSWPFT-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCN(C)CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C(C)C ZINC001486376477 1085248134 /nfs/dbraw/zinc/24/81/34/1085248134.db2.gz FSMNFOFGJWVEBK-DLBZAZTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCN(C)CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C(C)C ZINC001486376477 1085248140 /nfs/dbraw/zinc/24/81/40/1085248140.db2.gz FSMNFOFGJWVEBK-DLBZAZTESA-N 1 3 307.482 2.358 20 30 DEEDHO C#CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C(C)(C)C ZINC001486423328 1085296809 /nfs/dbraw/zinc/29/68/09/1085296809.db2.gz FZGHLQQHAOZRDS-SJORKVTESA-N 1 3 321.509 2.251 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001276070849 1091507400 /nfs/dbraw/zinc/50/74/00/1091507400.db2.gz OJNZTSBYRLMBJX-CABCVRRESA-N 1 3 313.873 2.194 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001276070849 1091507409 /nfs/dbraw/zinc/50/74/09/1091507409.db2.gz OJNZTSBYRLMBJX-CABCVRRESA-N 1 3 313.873 2.194 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)CC(C)(C)C1 ZINC001489342568 1093030350 /nfs/dbraw/zinc/03/03/50/1093030350.db2.gz QHCZEOSRUCCUOV-OAHLLOKOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)CC(C)(C)C1 ZINC001489342568 1093030357 /nfs/dbraw/zinc/03/03/57/1093030357.db2.gz QHCZEOSRUCCUOV-OAHLLOKOSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCN(C(=O)[C@H](CC)N(C)C)C1CC[NH+](CCCC)CC1 ZINC001278185105 1138820741 /nfs/dbraw/zinc/82/07/41/1138820741.db2.gz XYOPBDDFBZEOKC-KRWDZBQOSA-N 1 3 307.482 2.053 20 30 DEEDHO C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001316661049 1139834812 /nfs/dbraw/zinc/83/48/12/1139834812.db2.gz ZEKWZTKXUHKHME-IXDOHACOSA-N 1 3 307.482 2.169 20 30 DEEDHO C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001319394156 1140561792 /nfs/dbraw/zinc/56/17/92/1140561792.db2.gz CGKCWWAMYIHVOR-DLBZAZTESA-N 1 3 319.493 2.360 20 30 DEEDHO N#C[C@@H]1C[C@@H](N[C@H](c2ccccc2F)C2CC[NH2+]CC2)CCN1 ZINC001246402402 1140894287 /nfs/dbraw/zinc/89/42/87/1140894287.db2.gz YDVYSEJEJMWQOQ-MPGHIAIKSA-N 1 3 316.424 2.100 20 30 DEEDHO C=CC[N@H+]1CC[C@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001323860196 1141894204 /nfs/dbraw/zinc/89/42/04/1141894204.db2.gz OQVIDTZNUXKYQK-SFHVURJKSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001323860196 1141894206 /nfs/dbraw/zinc/89/42/06/1141894206.db2.gz OQVIDTZNUXKYQK-SFHVURJKSA-N 1 3 307.482 2.075 20 30 DEEDHO CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)CC1(C)C ZINC001278673803 1142774808 /nfs/dbraw/zinc/77/48/08/1142774808.db2.gz VWIUQVXCRNOPFH-DLBZAZTESA-N 1 3 319.493 2.099 20 30 DEEDHO C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001340882336 1143480462 /nfs/dbraw/zinc/48/04/62/1143480462.db2.gz XTAYWBDDYOJBGR-JQHSSLGASA-N 1 3 315.461 2.449 20 30 DEEDHO C=CCCC[C@H](N)C(=O)N(CC(C)C)CC1CC[NH+](C)CC1 ZINC001342318107 1143810902 /nfs/dbraw/zinc/81/09/02/1143810902.db2.gz ICUZCHTVERGASH-KRWDZBQOSA-N 1 3 309.498 2.496 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001264390761 1144525898 /nfs/dbraw/zinc/52/58/98/1144525898.db2.gz GJOSAMQIICSUFM-IYBDPMFKSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001265217520 1144669707 /nfs/dbraw/zinc/66/97/07/1144669707.db2.gz XUOMHIWIWDUHND-JKSUJKDBSA-N 1 3 313.461 2.213 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001265217520 1144669709 /nfs/dbraw/zinc/66/97/09/1144669709.db2.gz XUOMHIWIWDUHND-JKSUJKDBSA-N 1 3 313.461 2.213 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001266219132 1144815565 /nfs/dbraw/zinc/81/55/65/1144815565.db2.gz WEFHKVKMOPMVFZ-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001266219132 1144815566 /nfs/dbraw/zinc/81/55/66/1144815566.db2.gz WEFHKVKMOPMVFZ-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCC[NH+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001280394304 1144837801 /nfs/dbraw/zinc/83/78/01/1144837801.db2.gz ILLQWUJZJWMIOS-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCCN1CC ZINC001492176948 1147117879 /nfs/dbraw/zinc/11/78/79/1147117879.db2.gz BHCGSVSAHXZEDJ-MSOLQXFVSA-N 1 3 319.493 2.245 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCCN1CC ZINC001492176948 1147117881 /nfs/dbraw/zinc/11/78/81/1147117881.db2.gz BHCGSVSAHXZEDJ-MSOLQXFVSA-N 1 3 319.493 2.245 20 30 DEEDHO C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001316999310 1147646774 /nfs/dbraw/zinc/64/67/74/1147646774.db2.gz WFBQKFDMWMRUHI-MRXNPFEDSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(Cl)CNCC1(NC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001367157331 1147657889 /nfs/dbraw/zinc/65/78/89/1147657889.db2.gz ORHYFJKTAKFMIY-UHFFFAOYSA-N 1 3 313.873 2.099 20 30 DEEDHO C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)CC[NH+](C)C ZINC001317434517 1147707907 /nfs/dbraw/zinc/70/79/07/1147707907.db2.gz JCJVMLDMXUPZFE-AWEZNQCLSA-N 1 3 301.862 2.051 20 30 DEEDHO C=C(C)CN1CC[C@](C)(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001324681862 1147830927 /nfs/dbraw/zinc/83/09/27/1147830927.db2.gz XHQVMABHAXAWAK-SFHVURJKSA-N 1 3 307.482 2.409 20 30 DEEDHO C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001325655097 1147976458 /nfs/dbraw/zinc/97/64/58/1147976458.db2.gz AYUPUHIPWDBSDV-BZSNNMDCSA-N 1 3 319.493 2.006 20 30 DEEDHO CCC[N@@H+]1CC[C@H](CNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001325839795 1148006998 /nfs/dbraw/zinc/00/69/98/1148006998.db2.gz GHKKBSCUVTZPHB-MRXNPFEDSA-N 1 3 314.433 2.208 20 30 DEEDHO CCC[N@H+]1CC[C@H](CNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001325839795 1148007003 /nfs/dbraw/zinc/00/70/03/1148007003.db2.gz GHKKBSCUVTZPHB-MRXNPFEDSA-N 1 3 314.433 2.208 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CN(C)CCC)[C@@H](C)C1 ZINC001368101034 1148224371 /nfs/dbraw/zinc/22/43/71/1148224371.db2.gz DVXFVDOUPODUPZ-KBPBESRZSA-N 1 3 301.862 2.050 20 30 DEEDHO CN1CCC(N2CC[C@H]([N@H+](C)CC(C)(C)CCC#N)C2)CC1 ZINC000377633086 529844344 /nfs/dbraw/zinc/84/43/44/529844344.db2.gz USUDWSMCAHEKKX-KRWDZBQOSA-N 1 3 306.498 2.417 20 30 DEEDHO CN1CCC(N2CC[C@H]([N@@H+](C)CC(C)(C)CCC#N)C2)CC1 ZINC000377633086 529844345 /nfs/dbraw/zinc/84/43/45/529844345.db2.gz USUDWSMCAHEKKX-KRWDZBQOSA-N 1 3 306.498 2.417 20 30 DEEDHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000181500949 356083157 /nfs/dbraw/zinc/08/31/57/356083157.db2.gz XMKIEHLZOZNWER-CVEARBPZSA-N 1 3 300.450 2.235 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000660598508 540309908 /nfs/dbraw/zinc/30/99/08/540309908.db2.gz ZSXVPSZHYYAKPT-MRXNPFEDSA-N 1 3 322.497 2.199 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000660598508 540309911 /nfs/dbraw/zinc/30/99/11/540309911.db2.gz ZSXVPSZHYYAKPT-MRXNPFEDSA-N 1 3 322.497 2.199 20 30 DEEDHO N#Cc1ccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)o1 ZINC000600770130 359824158 /nfs/dbraw/zinc/82/41/58/359824158.db2.gz VGWNJHXURPBORR-UHFFFAOYSA-N 1 3 324.428 2.234 20 30 DEEDHO N#Cc1cccc(C[NH2+]CC2CCN(c3ccncc3)CC2)n1 ZINC000602583550 360444004 /nfs/dbraw/zinc/44/40/04/360444004.db2.gz YTJYSFIUSUXXTK-UHFFFAOYSA-N 1 3 307.401 2.354 20 30 DEEDHO C[C@H](CCC#N)C[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000602593570 360448366 /nfs/dbraw/zinc/44/83/66/360448366.db2.gz JWBWILXRNAEBBQ-OAHLLOKOSA-N 1 3 316.449 2.007 20 30 DEEDHO C[N@@H+]1CCC[C@H](CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000458238527 248223406 /nfs/dbraw/zinc/22/34/06/248223406.db2.gz ZYOQZFBKKZQVCQ-QZTJIDSGSA-N 1 3 324.428 2.089 20 30 DEEDHO C[N@H+]1CCC[C@H](CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000458238527 248223409 /nfs/dbraw/zinc/22/34/09/248223409.db2.gz ZYOQZFBKKZQVCQ-QZTJIDSGSA-N 1 3 324.428 2.089 20 30 DEEDHO N#Cc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000268961691 207126475 /nfs/dbraw/zinc/12/64/75/207126475.db2.gz JAOBETMVMGCYGV-MOPGFXCFSA-N 1 3 313.445 2.416 20 30 DEEDHO C[NH+]=C(NCc1ccc(C)s1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000158470657 402306577 /nfs/dbraw/zinc/30/65/77/402306577.db2.gz AVUVUPNYPYHIBM-SWLSCSKDSA-N 1 3 308.495 2.450 20 30 DEEDHO CCCCCCNC(=[NH2+])NCc1ccnc(OCCN(C)C)c1 ZINC000270544749 403199643 /nfs/dbraw/zinc/19/96/43/403199643.db2.gz DHRNIWBRMCUHFX-UHFFFAOYSA-N 1 3 321.469 2.007 20 30 DEEDHO Cc1cc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1C#N ZINC000332348536 403557776 /nfs/dbraw/zinc/55/77/76/403557776.db2.gz ALRPQALHRJNFEZ-OALUTQOASA-N 1 3 313.445 2.334 20 30 DEEDHO C[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)CN(C)C ZINC000291965307 404602529 /nfs/dbraw/zinc/60/25/29/404602529.db2.gz SCNJGXLKJDUKMU-LLVKDONJSA-N 1 3 316.371 2.307 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C)C[N@@H+](C)CCCC)CC1 ZINC000357753986 404742818 /nfs/dbraw/zinc/74/28/18/404742818.db2.gz YBHVYEUTVYVRBV-MRXNPFEDSA-N 1 3 324.513 2.447 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C)C[N@H+](C)CCCC)CC1 ZINC000357753986 404742822 /nfs/dbraw/zinc/74/28/22/404742822.db2.gz YBHVYEUTVYVRBV-MRXNPFEDSA-N 1 3 324.513 2.447 20 30 DEEDHO C=CCN1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000357823484 404745021 /nfs/dbraw/zinc/74/50/21/404745021.db2.gz VQRGJMPRZNUYKT-QGZVFWFLSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCC[N@@H+](CC)C(C)C)CC1 ZINC000358205739 404756582 /nfs/dbraw/zinc/75/65/82/404756582.db2.gz RPCZSYPGWLSKDJ-UHFFFAOYSA-N 1 3 310.486 2.056 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCC[N@H+](CC)C(C)C)CC1 ZINC000358205739 404756586 /nfs/dbraw/zinc/75/65/86/404756586.db2.gz RPCZSYPGWLSKDJ-UHFFFAOYSA-N 1 3 310.486 2.056 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000358319102 404760062 /nfs/dbraw/zinc/76/00/62/404760062.db2.gz NHCHDJDVXOFIJU-UHFFFAOYSA-N 1 3 322.497 2.201 20 30 DEEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN[C@@H](C)[C@H]1C)C(C)C ZINC000417064457 405024907 /nfs/dbraw/zinc/02/49/07/405024907.db2.gz OQKYXVSSNJTZSA-GVDBMIGSSA-N 1 3 322.497 2.077 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCCCC[NH2+]1)C(C)C ZINC000515654267 406074700 /nfs/dbraw/zinc/07/47/00/406074700.db2.gz KTXGJEIPMARVRQ-DLBZAZTESA-N 1 3 307.482 2.333 20 30 DEEDHO CC[NH+]1CCC(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000570770996 406435429 /nfs/dbraw/zinc/43/54/29/406435429.db2.gz TUFMLVUFBPVCJD-GOSISDBHSA-N 1 3 324.428 2.089 20 30 DEEDHO CC#CC[C@H](CO)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000641767586 406887923 /nfs/dbraw/zinc/88/79/23/406887923.db2.gz MBKMQJFYPDXASD-BHIYHBOVSA-N 1 3 300.446 2.403 20 30 DEEDHO CC#CC[C@H](CO)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000641767586 406887925 /nfs/dbraw/zinc/88/79/25/406887925.db2.gz MBKMQJFYPDXASD-BHIYHBOVSA-N 1 3 300.446 2.403 20 30 DEEDHO N#Cc1cccnc1OC1CCC([NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000571550762 292556238 /nfs/dbraw/zinc/55/62/38/292556238.db2.gz WVTQSJFTYCCPCP-MFNRNEDNSA-N 1 3 314.433 2.360 20 30 DEEDHO C=CC[C@@]1(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CCC[NH2+]1 ZINC000662730907 425723925 /nfs/dbraw/zinc/72/39/25/425723925.db2.gz URQGBHUUJWGWHU-LPHOPBHVSA-N 1 3 315.461 2.321 20 30 DEEDHO C[NH+]=C(NC[C@@H]1CCCS1)NCC1(N(C)C)CCCCC1 ZINC000262026543 277751813 /nfs/dbraw/zinc/75/18/13/277751813.db2.gz ZVFNRIKYCZNVJN-AWEZNQCLSA-N 1 3 312.527 2.312 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(C[NH3+])CC1)C(C)C ZINC000417062880 277848196 /nfs/dbraw/zinc/84/81/96/277848196.db2.gz MOCFWZFATMEHNJ-KRWDZBQOSA-N 1 3 322.497 2.065 20 30 DEEDHO CC[NH+](CC)C[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349856068 279132210 /nfs/dbraw/zinc/13/22/10/279132210.db2.gz YSMGNVFVIMVLLZ-YOEHRIQHSA-N 1 3 312.417 2.087 20 30 DEEDHO C[NH+]=C(NCCOC1CCCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000262499900 526361855 /nfs/dbraw/zinc/36/18/55/526361855.db2.gz XYJSIDNBXNHOLO-INIZCTEOSA-N 1 3 322.497 2.081 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N2CCC(CC[NH2+]C)CC2)CC1 ZINC000417541372 526585028 /nfs/dbraw/zinc/58/50/28/526585028.db2.gz QSDTXFJGIJBEOS-UHFFFAOYSA-N 1 3 322.497 2.058 20 30 DEEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC000947310300 625403232 /nfs/dbraw/zinc/40/32/32/625403232.db2.gz OYXZLGWWMPOUMB-IAGOWNOFSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC000947310300 625403233 /nfs/dbraw/zinc/40/32/33/625403233.db2.gz OYXZLGWWMPOUMB-IAGOWNOFSA-N 1 3 319.493 2.243 20 30 DEEDHO C=CC[NH2+]C1CCC(NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001026572037 625531569 /nfs/dbraw/zinc/53/15/69/625531569.db2.gz ZJZZKRWNLTXYEH-OFLPRAFFSA-N 1 3 307.482 2.452 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001020587547 622925926 /nfs/dbraw/zinc/92/59/26/622925926.db2.gz KCCDWSHQSHKNGI-CKEIUWERSA-N 1 3 311.445 2.012 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001021093671 623337281 /nfs/dbraw/zinc/33/72/81/623337281.db2.gz GEGPFTBUYMCHMK-SHTZXODSSA-N 1 3 321.852 2.351 20 30 DEEDHO CC(C)[NH+]1CCN(CCCN(C)Cc2cc(C#N)cs2)CC1 ZINC000933773904 624619417 /nfs/dbraw/zinc/61/94/17/624619417.db2.gz SRADPEOQSLNWSE-UHFFFAOYSA-N 1 3 320.506 2.468 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978793944 634419801 /nfs/dbraw/zinc/41/98/01/634419801.db2.gz DBLPGDSTRWLMSM-ZJPYXAASSA-N 1 3 319.493 2.119 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978793944 634419804 /nfs/dbraw/zinc/41/98/04/634419804.db2.gz DBLPGDSTRWLMSM-ZJPYXAASSA-N 1 3 319.493 2.119 20 30 DEEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000999292980 634552835 /nfs/dbraw/zinc/55/28/35/634552835.db2.gz IYKVEROGWLMNIA-HESLUPGFSA-N 1 3 313.873 2.048 20 30 DEEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000999292980 634552843 /nfs/dbraw/zinc/55/28/43/634552843.db2.gz IYKVEROGWLMNIA-HESLUPGFSA-N 1 3 313.873 2.048 20 30 DEEDHO CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000997120114 633602904 /nfs/dbraw/zinc/60/29/04/633602904.db2.gz MQDVKBLJFXHZKJ-AEFFLSMTSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000997120114 633602913 /nfs/dbraw/zinc/60/29/13/633602913.db2.gz MQDVKBLJFXHZKJ-AEFFLSMTSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCN2C)CC1 ZINC000997951772 634073420 /nfs/dbraw/zinc/07/34/20/634073420.db2.gz ZSOCWYRHGONGPP-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCN2C)CC1 ZINC000997951772 634073425 /nfs/dbraw/zinc/07/34/25/634073425.db2.gz ZSOCWYRHGONGPP-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO CC#CCN1CCC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998098965 634140074 /nfs/dbraw/zinc/14/00/74/634140074.db2.gz RHPCJSXBFNWHEP-SFHVURJKSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3nc[nH]c3C)C[C@H]2C1 ZINC000980235119 634903822 /nfs/dbraw/zinc/90/38/22/634903822.db2.gz ZOULYOCRFBQQCV-HRCADAONSA-N 1 3 316.449 2.053 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3nc[nH]c3C)C[C@H]2C1 ZINC000980235119 634903825 /nfs/dbraw/zinc/90/38/25/634903825.db2.gz ZOULYOCRFBQQCV-HRCADAONSA-N 1 3 316.449 2.053 20 30 DEEDHO C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000981535889 635520701 /nfs/dbraw/zinc/52/07/01/635520701.db2.gz WSHQSIOHAYIGRS-QZTJIDSGSA-N 1 3 313.445 2.012 20 30 DEEDHO C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000981540781 635523039 /nfs/dbraw/zinc/52/30/39/635523039.db2.gz GCUUWXQBEMKVAA-SJORKVTESA-N 1 3 313.445 2.012 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982296401 635954971 /nfs/dbraw/zinc/95/49/71/635954971.db2.gz RYWGRQVJHZLPTE-QRQLOZEOSA-N 1 3 319.493 2.073 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982296401 635954972 /nfs/dbraw/zinc/95/49/72/635954972.db2.gz RYWGRQVJHZLPTE-QRQLOZEOSA-N 1 3 319.493 2.073 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)N(C)C)C[C@@]2(C)C1 ZINC000982306830 635960454 /nfs/dbraw/zinc/96/04/54/635960454.db2.gz ZPOUDVYHQBZMIT-NXHRZFHOSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)N(C)C)C[C@@]2(C)C1 ZINC000982306830 635960455 /nfs/dbraw/zinc/96/04/55/635960455.db2.gz ZPOUDVYHQBZMIT-NXHRZFHOSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCN1CCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001028335464 636135877 /nfs/dbraw/zinc/13/58/77/636135877.db2.gz VVNJTMMOMNINGG-MRXNPFEDSA-N 1 3 301.434 2.128 20 30 DEEDHO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982557170 636264487 /nfs/dbraw/zinc/26/44/87/636264487.db2.gz MYWVGSZFGRMCRH-YTQUADARSA-N 1 3 319.493 2.075 20 30 DEEDHO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982557170 636264492 /nfs/dbraw/zinc/26/44/92/636264492.db2.gz MYWVGSZFGRMCRH-YTQUADARSA-N 1 3 319.493 2.075 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004375749 636403179 /nfs/dbraw/zinc/40/31/79/636403179.db2.gz SKGWIZZQONCFIF-MSOLQXFVSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004375749 636403185 /nfs/dbraw/zinc/40/31/85/636403185.db2.gz SKGWIZZQONCFIF-MSOLQXFVSA-N 1 3 319.493 2.360 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)c1ccc(C)cc1 ZINC000304750108 685258729 /nfs/dbraw/zinc/25/87/29/685258729.db2.gz IDWMBZIENFTLPO-WBVHZDCISA-N 1 3 302.466 2.487 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccc(C)cc1 ZINC000304764026 685260863 /nfs/dbraw/zinc/26/08/63/685260863.db2.gz XLARDARTSLFJBY-HOTGVXAUSA-N 1 3 318.465 2.151 20 30 DEEDHO C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001016611595 687665085 /nfs/dbraw/zinc/66/50/85/687665085.db2.gz DTLCRPCOSLKMDR-SJORKVTESA-N 1 3 319.493 2.406 20 30 DEEDHO C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001016611590 687665111 /nfs/dbraw/zinc/66/51/11/687665111.db2.gz DTLCRPCOSLKMDR-IAGOWNOFSA-N 1 3 319.493 2.406 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001016862125 687721130 /nfs/dbraw/zinc/72/11/30/687721130.db2.gz RUKXVHQORSYBJZ-IRXDYDNUSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001032684475 689224659 /nfs/dbraw/zinc/22/46/59/689224659.db2.gz RALWSAAZTGWORT-ROUUACIJSA-N 1 3 313.445 2.223 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001033294637 689451854 /nfs/dbraw/zinc/45/18/54/689451854.db2.gz CFBGFMPPIWIJQE-MSOLQXFVSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001033294637 689451857 /nfs/dbraw/zinc/45/18/57/689451857.db2.gz CFBGFMPPIWIJQE-MSOLQXFVSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001034748785 689939877 /nfs/dbraw/zinc/93/98/77/689939877.db2.gz CPUZJUNYDDWYMY-ULQDDVLXSA-N 1 3 307.482 2.454 20 30 DEEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000876875743 689960857 /nfs/dbraw/zinc/96/08/57/689960857.db2.gz YYHWHJIBADKTSB-JKSUJKDBSA-N 1 3 321.852 2.189 20 30 DEEDHO C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)N(C)C)CC2 ZINC001035197416 690057150 /nfs/dbraw/zinc/05/71/50/690057150.db2.gz MTKPGDOHDKCULG-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)N(C)C)CC2 ZINC001035197416 690057154 /nfs/dbraw/zinc/05/71/54/690057154.db2.gz MTKPGDOHDKCULG-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035238800 690069955 /nfs/dbraw/zinc/06/99/55/690069955.db2.gz GWDYBQDBOPZIMR-UHFFFAOYSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035238800 690069958 /nfs/dbraw/zinc/06/99/58/690069958.db2.gz GWDYBQDBOPZIMR-UHFFFAOYSA-N 1 3 319.493 2.219 20 30 DEEDHO N#CCCC[C@H](N)C(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877447647 690116062 /nfs/dbraw/zinc/11/60/62/690116062.db2.gz ZNUCMXBXMWIHBP-HYVNUMGLSA-N 1 3 320.481 2.154 20 30 DEEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001038343270 690788719 /nfs/dbraw/zinc/78/87/19/690788719.db2.gz YOIYEDDKBLVAGI-IRXDYDNUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001038343270 690788721 /nfs/dbraw/zinc/78/87/21/690788721.db2.gz YOIYEDDKBLVAGI-IRXDYDNUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039134006 691029797 /nfs/dbraw/zinc/02/97/97/691029797.db2.gz NQYUESBPMABGIB-ROUUACIJSA-N 1 3 319.493 2.073 20 30 DEEDHO C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039134006 691029798 /nfs/dbraw/zinc/02/97/98/691029798.db2.gz NQYUESBPMABGIB-ROUUACIJSA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040241440 691219340 /nfs/dbraw/zinc/21/93/40/691219340.db2.gz OVKSYCIXRBJFEH-SFHVURJKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040241440 691219341 /nfs/dbraw/zinc/21/93/41/691219341.db2.gz OVKSYCIXRBJFEH-SFHVURJKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041353852 691366030 /nfs/dbraw/zinc/36/60/30/691366030.db2.gz KOXFZZHMRLAESY-SFHVURJKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041353852 691366033 /nfs/dbraw/zinc/36/60/33/691366033.db2.gz KOXFZZHMRLAESY-SFHVURJKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001049509407 692904687 /nfs/dbraw/zinc/90/46/87/692904687.db2.gz UCBQDZZLQGKOIY-BBWFWOEESA-N 1 3 305.466 2.112 20 30 DEEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001049509407 692904688 /nfs/dbraw/zinc/90/46/88/692904688.db2.gz UCBQDZZLQGKOIY-BBWFWOEESA-N 1 3 305.466 2.112 20 30 DEEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049637944 692948048 /nfs/dbraw/zinc/94/80/48/692948048.db2.gz JCHHKORSLYXAHX-JKSUJKDBSA-N 1 3 305.466 2.112 20 30 DEEDHO C=CCN1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001050122323 693114109 /nfs/dbraw/zinc/11/41/09/693114109.db2.gz QVDXVDBFCSUZCN-OKZBNKHCSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCN1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001050122323 693114111 /nfs/dbraw/zinc/11/41/11/693114111.db2.gz QVDXVDBFCSUZCN-OKZBNKHCSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001052376875 693518960 /nfs/dbraw/zinc/51/89/60/693518960.db2.gz KFNBPZMKJCRKGI-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001052376875 693518963 /nfs/dbraw/zinc/51/89/63/693518963.db2.gz KFNBPZMKJCRKGI-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001052897891 693643880 /nfs/dbraw/zinc/64/38/80/693643880.db2.gz OCIMNFMMLHNBQM-HNNXBMFYSA-N 1 3 304.438 2.198 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001052897891 693643883 /nfs/dbraw/zinc/64/38/83/693643883.db2.gz OCIMNFMMLHNBQM-HNNXBMFYSA-N 1 3 304.438 2.198 20 30 DEEDHO C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001402831496 1162488084 /nfs/dbraw/zinc/48/80/84/1162488084.db2.gz UVDNKZYFYFRNFL-JXQTWKCFSA-N 1 3 301.862 2.096 20 30 DEEDHO CCN1CC[C@H]([N@H+](C)C[C@@H](O)c2cccc(C#N)c2)[C@@H](C)C1 ZINC001363200607 1153265534 /nfs/dbraw/zinc/26/55/34/1153265534.db2.gz XMDOESCLKZTDMR-JCGIZDLHSA-N 1 3 301.434 2.254 20 30 DEEDHO CCN1CC[C@H]([N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)[C@@H](C)C1 ZINC001363200607 1153265536 /nfs/dbraw/zinc/26/55/36/1153265536.db2.gz XMDOESCLKZTDMR-JCGIZDLHSA-N 1 3 301.434 2.254 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001406706720 1164804648 /nfs/dbraw/zinc/80/46/48/1164804648.db2.gz BIAQTZUKACVDIW-HUUCEWRRSA-N 1 3 315.889 2.344 20 30 DEEDHO C=C(Cl)C[NH2+]C1(C)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001424475995 1173802769 /nfs/dbraw/zinc/80/27/69/1173802769.db2.gz PTCZNFOLXVPJDL-UHFFFAOYSA-N 1 3 313.873 2.194 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001436925785 1179304595 /nfs/dbraw/zinc/30/45/95/1179304595.db2.gz ALLHDBLHQPIPCF-SHTZXODSSA-N 1 3 313.873 2.242 20 30 DEEDHO C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291725 776948344 /nfs/dbraw/zinc/94/83/44/776948344.db2.gz SFIYKPMKXZVPMU-NXHRZFHOSA-N 1 3 321.509 2.367 20 30 DEEDHO C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001104809498 778191602 /nfs/dbraw/zinc/19/16/02/778191602.db2.gz IEVLJUGFESQODI-UKRRQHHQSA-N 1 3 315.889 2.155 20 30 DEEDHO C=CC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)N2CCCC2)C1 ZINC001088358691 780025690 /nfs/dbraw/zinc/02/56/90/780025690.db2.gz ICLASCZLOOZCNE-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001076161973 781152396 /nfs/dbraw/zinc/15/23/96/781152396.db2.gz XMBYMUMUZQAQSO-OKZBNKHCSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001076161973 781152400 /nfs/dbraw/zinc/15/24/00/781152400.db2.gz XMBYMUMUZQAQSO-OKZBNKHCSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001085688588 783967038 /nfs/dbraw/zinc/96/70/38/783967038.db2.gz NQCXXYIYUUVTER-IAGOWNOFSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001085688588 783967045 /nfs/dbraw/zinc/96/70/45/783967045.db2.gz NQCXXYIYUUVTER-IAGOWNOFSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917773 784212772 /nfs/dbraw/zinc/21/27/72/784212772.db2.gz KGMMVHLGMPEYCB-GOSISDBHSA-N 1 3 319.493 2.217 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@H](NC(=O)c2sccc2CN(C)C)C1 ZINC001007439947 784919427 /nfs/dbraw/zinc/91/94/27/784919427.db2.gz GMBJCRIKSVKDFP-OAHLLOKOSA-N 1 3 319.474 2.027 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2CN(C)C)C1 ZINC001007439947 784919431 /nfs/dbraw/zinc/91/94/31/784919431.db2.gz GMBJCRIKSVKDFP-OAHLLOKOSA-N 1 3 319.474 2.027 20 30 DEEDHO C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001108704263 785495422 /nfs/dbraw/zinc/49/54/22/785495422.db2.gz GKMOEAGAGGOWPM-BQFCYCMXSA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C ZINC001132892618 788219741 /nfs/dbraw/zinc/21/97/41/788219741.db2.gz HCJSJXGEXNDTIR-JKSUJKDBSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C ZINC001132889239 788220134 /nfs/dbraw/zinc/22/01/34/788220134.db2.gz YPAUFWRQDFNDRQ-CVEARBPZSA-N 1 3 307.482 2.121 20 30 DEEDHO C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001170750738 788918312 /nfs/dbraw/zinc/91/83/12/788918312.db2.gz MOVNILMHMPVJAJ-IRXDYDNUSA-N 1 3 307.482 2.147 20 30 DEEDHO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CCCCCC ZINC001135691196 789451360 /nfs/dbraw/zinc/45/13/60/789451360.db2.gz PUZFIBALZDEGFP-IRXDYDNUSA-N 1 3 309.498 2.395 20 30 DEEDHO C=C(C)CN1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001071600043 789803935 /nfs/dbraw/zinc/80/39/35/789803935.db2.gz FERLHGRTXHXIID-DLBZAZTESA-N 1 3 319.493 2.408 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCCC)C2)CC1 ZINC001072096007 790050423 /nfs/dbraw/zinc/05/04/23/790050423.db2.gz RYTLJSOFQCUFKP-AEFFLSMTSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCCC)C2)CC1 ZINC001072096007 790050425 /nfs/dbraw/zinc/05/04/25/790050425.db2.gz RYTLJSOFQCUFKP-AEFFLSMTSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC(=C)C)CC1 ZINC001146612052 791322335 /nfs/dbraw/zinc/32/23/35/791322335.db2.gz PDHSWMFUUGNLLM-IAGOWNOFSA-N 1 3 319.493 2.171 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC2CC2)CC1 ZINC001146610942 791322756 /nfs/dbraw/zinc/32/27/56/791322756.db2.gz LBXFCNJDYFSERX-HZPDHXFCSA-N 1 3 319.493 2.005 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001148291798 791731501 /nfs/dbraw/zinc/73/15/01/791731501.db2.gz CKRVGZLGTLPRBE-HOTGVXAUSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001148291798 791731505 /nfs/dbraw/zinc/73/15/05/791731505.db2.gz CKRVGZLGTLPRBE-HOTGVXAUSA-N 1 3 307.482 2.216 20 30 DEEDHO COCCC[NH+]1CCC(NCCOc2cccc(C#N)c2)CC1 ZINC001172247086 793386214 /nfs/dbraw/zinc/38/62/14/793386214.db2.gz CYAUAXYKQYQUSD-UHFFFAOYSA-N 1 3 317.433 2.028 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102368131 793587675 /nfs/dbraw/zinc/58/76/75/793587675.db2.gz GJNKGLMBAVXCQX-BRWVUGGUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102368131 793587681 /nfs/dbraw/zinc/58/76/81/793587681.db2.gz GJNKGLMBAVXCQX-BRWVUGGUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001175263466 794171911 /nfs/dbraw/zinc/17/19/11/794171911.db2.gz PXIXXBQQTHCJRI-ZFWWWQNUSA-N 1 3 315.889 2.345 20 30 DEEDHO CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CN(CC)CC ZINC001177445237 794678131 /nfs/dbraw/zinc/67/81/31/794678131.db2.gz DUJWQKJQCZXBBG-UHFFFAOYSA-N 1 3 321.509 2.350 20 30 DEEDHO C=CC[NH2+]C1(CNC(=O)[C@@H](C2CC2)N2CCCC2)CCCCC1 ZINC001115648300 794858936 /nfs/dbraw/zinc/85/89/36/794858936.db2.gz KCMAXCRZQFNDMR-QGZVFWFLSA-N 1 3 319.493 2.456 20 30 DEEDHO C=CCCCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001179617703 795144056 /nfs/dbraw/zinc/14/40/56/795144056.db2.gz MBIZEVKMJKTRDT-HOCLYGCPSA-N 1 3 304.438 2.278 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)N(C)CC)C[C@@H]1C ZINC001184714337 796108900 /nfs/dbraw/zinc/10/89/00/796108900.db2.gz XMDBFRQUBRIJOI-JKSUJKDBSA-N 1 3 309.498 2.367 20 30 DEEDHO C#CCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001185171771 796202164 /nfs/dbraw/zinc/20/21/64/796202164.db2.gz XYXPPFSJBOANTN-SJORKVTESA-N 1 3 321.509 2.062 20 30 DEEDHO C=CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001185170484 796202210 /nfs/dbraw/zinc/20/22/10/796202210.db2.gz PWIMLBFHQFSJDS-CVEARBPZSA-N 1 3 309.498 2.225 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001185379259 796244400 /nfs/dbraw/zinc/24/44/00/796244400.db2.gz AZWRKRQYFYSNQU-QZTJIDSGSA-N 1 3 321.509 2.369 20 30 DEEDHO C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203792342 797708456 /nfs/dbraw/zinc/70/84/56/797708456.db2.gz OSSASHFPWMLTIL-HZPDHXFCSA-N 1 3 307.482 2.310 20 30 DEEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001157086361 798141187 /nfs/dbraw/zinc/14/11/87/798141187.db2.gz PXBXWACJCWLNMI-MRXNPFEDSA-N 1 3 315.461 2.212 20 30 DEEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001157086361 798141190 /nfs/dbraw/zinc/14/11/90/798141190.db2.gz PXBXWACJCWLNMI-MRXNPFEDSA-N 1 3 315.461 2.212 20 30 DEEDHO C=CC[NH2+]CCN(CCc1ccccc1)C(=O)CN(CC)CC ZINC001162960155 799208294 /nfs/dbraw/zinc/20/82/94/799208294.db2.gz MNBMUBCSEOIIRU-UHFFFAOYSA-N 1 3 317.477 2.175 20 30 DEEDHO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203651175 800099270 /nfs/dbraw/zinc/09/92/70/800099270.db2.gz LWQVCIVBHDTMDB-JKSUJKDBSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203649321 800099537 /nfs/dbraw/zinc/09/95/37/800099537.db2.gz AJRCLHOOMXRZRH-JKSUJKDBSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCCCCC[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203708640 800109947 /nfs/dbraw/zinc/10/99/47/800109947.db2.gz BLJVBNHTCNNYEJ-UHFFFAOYSA-N 1 3 307.482 2.409 20 30 DEEDHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1c(C#N)oc2ccccc21 ZINC001218627500 802217498 /nfs/dbraw/zinc/21/74/98/802217498.db2.gz FFGXMAPFIDWJMR-ZDUSSCGKSA-N 1 3 314.389 2.302 20 30 DEEDHO C=CCCCCC[C@H](N)C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220159071 802417326 /nfs/dbraw/zinc/41/73/26/802417326.db2.gz MEDXCHNRRDSSCK-BQFCYCMXSA-N 1 3 307.482 2.489 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](F)CN(CC)CC ZINC001234642792 802439628 /nfs/dbraw/zinc/43/96/28/802439628.db2.gz KWWOPERXFYTIKG-HZPDHXFCSA-N 1 3 313.461 2.165 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](F)CN(CC)CC ZINC001234642792 802439634 /nfs/dbraw/zinc/43/96/34/802439634.db2.gz KWWOPERXFYTIKG-HZPDHXFCSA-N 1 3 313.461 2.165 20 30 DEEDHO CC#CCN1CCC(CNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001223945488 802824956 /nfs/dbraw/zinc/82/49/56/802824956.db2.gz SVVOSWHOGYLPOJ-UHFFFAOYSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCC[NH+]1CCC(CNC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001224739489 802900051 /nfs/dbraw/zinc/90/00/51/802900051.db2.gz NWRXHZRTRJBECI-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001368335769 1148416969 /nfs/dbraw/zinc/41/69/69/1148416969.db2.gz JDLQDSKBMYKAQT-UONOGXRCSA-N 1 3 313.873 2.050 20 30 DEEDHO C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CCCC1 ZINC001500088060 1058483780 /nfs/dbraw/zinc/48/37/80/1058483780.db2.gz IPLQPURUOKYUDC-IRXDYDNUSA-N 1 3 307.482 2.310 20 30 DEEDHO C#CC[NH2+][C@H](C)c1ccc(CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001501677236 1059629494 /nfs/dbraw/zinc/62/94/94/1059629494.db2.gz VEJCEYCAGGAQKU-OAHLLOKOSA-N 1 3 313.445 2.071 20 30 DEEDHO C#CCN1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001502953292 1060409029 /nfs/dbraw/zinc/40/90/29/1060409029.db2.gz VLYDHACQSGWOIW-SJORKVTESA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCN1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001502953292 1060409036 /nfs/dbraw/zinc/40/90/36/1060409036.db2.gz VLYDHACQSGWOIW-SJORKVTESA-N 1 3 319.493 2.243 20 30 DEEDHO CC(C)CCN1CCC([NH2+]CCNc2ncccc2C#N)CC1 ZINC001474761149 1060935051 /nfs/dbraw/zinc/93/50/51/1060935051.db2.gz CXENFAIBOSUZRH-UHFFFAOYSA-N 1 3 315.465 2.465 20 30 DEEDHO C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001480381526 1062759995 /nfs/dbraw/zinc/75/99/95/1062759995.db2.gz CTPPQZKNBMKCAO-SJORKVTESA-N 1 3 321.509 2.204 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001480381526 1062760008 /nfs/dbraw/zinc/76/00/08/1062760008.db2.gz CTPPQZKNBMKCAO-SJORKVTESA-N 1 3 321.509 2.204 20 30 DEEDHO C=CCN[C@@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001493894213 1064013869 /nfs/dbraw/zinc/01/38/69/1064013869.db2.gz JJOVJAHKKOUFTR-KRWDZBQOSA-N 1 3 313.445 2.248 20 30 DEEDHO C=CCC[N@@H+](C)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001494195613 1064167876 /nfs/dbraw/zinc/16/78/76/1064167876.db2.gz IAWLGWBNPGMQJR-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@H+](C)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001494195613 1064167881 /nfs/dbraw/zinc/16/78/81/1064167881.db2.gz IAWLGWBNPGMQJR-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO C#CCN1CCC(C(=O)N(CCC)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001567692492 1064349166 /nfs/dbraw/zinc/34/91/66/1064349166.db2.gz BTKSTKQZLSAASZ-GOSISDBHSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCN1CCC(C(=O)N(CCC)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001567692492 1064349173 /nfs/dbraw/zinc/34/91/73/1064349173.db2.gz BTKSTKQZLSAASZ-GOSISDBHSA-N 1 3 319.493 2.053 20 30 DEEDHO CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001568112459 1064652594 /nfs/dbraw/zinc/65/25/94/1064652594.db2.gz ZANSNENYGPEHCW-BZSNNMDCSA-N 1 3 319.493 2.290 20 30 DEEDHO C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001568387337 1064829372 /nfs/dbraw/zinc/82/93/72/1064829372.db2.gz UWKLSYDPYMMUHM-HUUCEWRRSA-N 1 3 315.889 2.440 20 30 DEEDHO C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H](C)N1CCCCCC1 ZINC001496297125 1065391224 /nfs/dbraw/zinc/39/12/24/1065391224.db2.gz SIBPNVVISXOYQZ-ROUUACIJSA-N 1 3 321.509 2.395 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001496338112 1065414438 /nfs/dbraw/zinc/41/44/38/1065414438.db2.gz AWJLRHVWXSQTOH-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@H+](CC1CC1)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001569451562 1065515300 /nfs/dbraw/zinc/51/53/00/1065515300.db2.gz CDBUZMXSPMBRNE-UHFFFAOYSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@@H+](CC1CC1)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001569451562 1065515311 /nfs/dbraw/zinc/51/53/11/1065515311.db2.gz CDBUZMXSPMBRNE-UHFFFAOYSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001569828218 1065750014 /nfs/dbraw/zinc/75/00/14/1065750014.db2.gz HRCQMUSMGLBGDN-YJBOKZPZSA-N 1 3 315.461 2.374 20 30 DEEDHO C=CCCC[NH+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001570055027 1065905497 /nfs/dbraw/zinc/90/54/97/1065905497.db2.gz LUSSJNGRAUKKDC-KRWDZBQOSA-N 1 3 319.493 2.219 20 30 DEEDHO N#Cc1cccc(NC(=O)CC[N@H+]2CCCCC[C@H](N)C2)c1 ZINC001580076223 1067490591 /nfs/dbraw/zinc/49/05/91/1067490591.db2.gz RJNFTSJCPBXWID-HNNXBMFYSA-N 1 3 300.406 2.090 20 30 DEEDHO N#Cc1cccc(NC(=O)CC[N@@H+]2CCCCC[C@H](N)C2)c1 ZINC001580076223 1067490594 /nfs/dbraw/zinc/49/05/94/1067490594.db2.gz RJNFTSJCPBXWID-HNNXBMFYSA-N 1 3 300.406 2.090 20 30 DEEDHO C=CCN(C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001570710069 1068084571 /nfs/dbraw/zinc/08/45/71/1068084571.db2.gz ASXDWQVIIAAVQX-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN(C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001570710069 1068084584 /nfs/dbraw/zinc/08/45/84/1068084584.db2.gz ASXDWQVIIAAVQX-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001571017376 1068174558 /nfs/dbraw/zinc/17/45/58/1068174558.db2.gz ZBKZLZQLPWPGPS-GVDBMIGSSA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001571017376 1068174567 /nfs/dbraw/zinc/17/45/67/1068174567.db2.gz ZBKZLZQLPWPGPS-GVDBMIGSSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCCN1CC ZINC001571373882 1068256596 /nfs/dbraw/zinc/25/65/96/1068256596.db2.gz QJUDRJZCKFLTOG-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCCN1CC ZINC001571373883 1068257813 /nfs/dbraw/zinc/25/78/13/1068257813.db2.gz QJUDRJZCKFLTOG-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO CC#CCN1CC[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001481098606 1079181782 /nfs/dbraw/zinc/18/17/82/1079181782.db2.gz CUIZCRKUUYCQKJ-MRXNPFEDSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CC[C@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001481098606 1079181788 /nfs/dbraw/zinc/18/17/88/1079181788.db2.gz CUIZCRKUUYCQKJ-MRXNPFEDSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[NH+]1CCC(C)(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001484147727 1079324541 /nfs/dbraw/zinc/32/45/41/1079324541.db2.gz XCAIBQHCRJSJED-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)CCC)C2)CC1 ZINC001565921527 1075077690 /nfs/dbraw/zinc/07/76/90/1075077690.db2.gz HNJFNKZFGCATBC-QGZVFWFLSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001567155161 1075447023 /nfs/dbraw/zinc/44/70/23/1075447023.db2.gz MZCNSABAIUPBCT-QGZVFWFLSA-N 1 3 315.461 2.376 20 30 DEEDHO C#CCCN1CC[C@H](N(CC)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001267790527 1079498013 /nfs/dbraw/zinc/49/80/13/1079498013.db2.gz QDUAUIMXBVBAFK-SFHVURJKSA-N 1 3 319.493 2.199 20 30 DEEDHO C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001484900095 1079843325 /nfs/dbraw/zinc/84/33/25/1079843325.db2.gz REXFIHCZCJWNRV-GOEBONIOSA-N 1 3 304.438 2.135 20 30 DEEDHO C=CC[N@@H+](CC)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001485031543 1079924977 /nfs/dbraw/zinc/92/49/77/1079924977.db2.gz QCIXYNNXKOYWKK-KRWDZBQOSA-N 1 3 309.498 2.319 20 30 DEEDHO C=CC[N@H+](CC)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001485031543 1079924982 /nfs/dbraw/zinc/92/49/82/1079924982.db2.gz QCIXYNNXKOYWKK-KRWDZBQOSA-N 1 3 309.498 2.319 20 30 DEEDHO C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001485230264 1080078243 /nfs/dbraw/zinc/07/82/43/1080078243.db2.gz RPLBJUCQQZGKHU-HUUCEWRRSA-N 1 3 303.450 2.421 20 30 DEEDHO CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001656909882 1080138792 /nfs/dbraw/zinc/13/87/92/1080138792.db2.gz SIPPSGMVSQHFTH-ROUUACIJSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001494054529 1080371362 /nfs/dbraw/zinc/37/13/62/1080371362.db2.gz KMNPSTYBGUGCIQ-IRXDYDNUSA-N 1 3 307.482 2.123 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001494054529 1080371367 /nfs/dbraw/zinc/37/13/67/1080371367.db2.gz KMNPSTYBGUGCIQ-IRXDYDNUSA-N 1 3 307.482 2.123 20 30 DEEDHO C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001661216477 1080459299 /nfs/dbraw/zinc/45/92/99/1080459299.db2.gz QTCCXLCBLLZVMH-IAGOWNOFSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001661216477 1080459306 /nfs/dbraw/zinc/45/93/06/1080459306.db2.gz QTCCXLCBLLZVMH-IAGOWNOFSA-N 1 3 309.498 2.463 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001662426472 1080607812 /nfs/dbraw/zinc/60/78/12/1080607812.db2.gz XUMXOAKLNHYXMM-INIZCTEOSA-N 1 3 319.493 2.006 20 30 DEEDHO C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001662863824 1080668999 /nfs/dbraw/zinc/66/89/99/1080668999.db2.gz ZPNCXFDUEWYPDD-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001662863824 1080669001 /nfs/dbraw/zinc/66/90/01/1080669001.db2.gz ZPNCXFDUEWYPDD-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268988055 1081077144 /nfs/dbraw/zinc/07/71/44/1081077144.db2.gz KPHGUZJJPCNAKO-ULQDDVLXSA-N 1 3 307.482 2.194 20 30 DEEDHO CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268988055 1081077150 /nfs/dbraw/zinc/07/71/50/1081077150.db2.gz KPHGUZJJPCNAKO-ULQDDVLXSA-N 1 3 307.482 2.194 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCCCC)C2)CC1 ZINC001269097141 1081115154 /nfs/dbraw/zinc/11/51/54/1081115154.db2.gz RHRUICSKLLLSAL-SFHVURJKSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCCCC)C2)CC1 ZINC001269097141 1081115158 /nfs/dbraw/zinc/11/51/58/1081115158.db2.gz RHRUICSKLLLSAL-SFHVURJKSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001666347595 1081147053 /nfs/dbraw/zinc/14/70/53/1081147053.db2.gz PCJWMYVFLLATBN-QGZVFWFLSA-N 1 3 303.450 2.165 20 30 DEEDHO CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCCN1C(C)C)C(C)C ZINC001667498154 1081258281 /nfs/dbraw/zinc/25/82/81/1081258281.db2.gz IORSDEWXCSBIGJ-SJORKVTESA-N 1 3 307.482 2.003 20 30 DEEDHO C#CCCN(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001667566699 1081264372 /nfs/dbraw/zinc/26/43/72/1081264372.db2.gz TVZVWAJDZSPMSE-KRWDZBQOSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCCN(C)CCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001667566699 1081264376 /nfs/dbraw/zinc/26/43/76/1081264376.db2.gz TVZVWAJDZSPMSE-KRWDZBQOSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCN(C(=O)[C@H]1CCCN1C(C)C)C1CC[NH+](CCC)CC1 ZINC001671476916 1081518916 /nfs/dbraw/zinc/51/89/16/1081518916.db2.gz ATZMJZFNUAOCSJ-GOSISDBHSA-N 1 3 319.493 2.195 20 30 DEEDHO C#CCC[NH2+]C1(CNC(=O)[C@H](C(C)C)N2CCCCC2)CCC1 ZINC001673242195 1081748987 /nfs/dbraw/zinc/74/89/87/1081748987.db2.gz SMAZJUIWCSHEAD-KRWDZBQOSA-N 1 3 319.493 2.149 20 30 DEEDHO C#CCC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1CCCCC1 ZINC001482411732 1081800442 /nfs/dbraw/zinc/80/04/42/1081800442.db2.gz AAECLBWSIKLVLM-MSOLQXFVSA-N 1 3 321.509 2.251 20 30 DEEDHO C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001271665633 1082104718 /nfs/dbraw/zinc/10/47/18/1082104718.db2.gz MAIYQSVJOZDENU-DLBZAZTESA-N 1 3 307.482 2.121 20 30 DEEDHO CC#CC[NH2+][C@H](CNC(=O)[C@@H](C)N1CCCCCC1)C(C)C ZINC001271907186 1082188769 /nfs/dbraw/zinc/18/87/69/1082188769.db2.gz CBJLGUMJQOLMIW-IAGOWNOFSA-N 1 3 307.482 2.005 20 30 DEEDHO CC#CCNC/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001483051708 1082663825 /nfs/dbraw/zinc/66/38/25/1082663825.db2.gz XCLUFWLZGALBLQ-JTHGQSKGSA-N 1 3 317.477 2.069 20 30 DEEDHO CC#CCNC/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001483051708 1082663826 /nfs/dbraw/zinc/66/38/26/1082663826.db2.gz XCLUFWLZGALBLQ-JTHGQSKGSA-N 1 3 317.477 2.069 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107439057 1083395207 /nfs/dbraw/zinc/39/52/07/1083395207.db2.gz PWNQMYYSHZTTEA-ZIFCJYIRSA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107439057 1083395217 /nfs/dbraw/zinc/39/52/17/1083395217.db2.gz PWNQMYYSHZTTEA-ZIFCJYIRSA-N 1 3 319.493 2.264 20 30 DEEDHO C#CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001670924370 1084147365 /nfs/dbraw/zinc/14/73/65/1084147365.db2.gz XELXSEPMTYFYCZ-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001670924370 1084147367 /nfs/dbraw/zinc/14/73/67/1084147367.db2.gz XELXSEPMTYFYCZ-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[NH2+]C[C@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)C ZINC001486412567 1085281671 /nfs/dbraw/zinc/28/16/71/1085281671.db2.gz WRLDIXZIAKZIIX-HNNXBMFYSA-N 1 3 309.498 2.108 20 30 DEEDHO C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961180379 1085627038 /nfs/dbraw/zinc/62/70/38/1085627038.db2.gz GRZMAHPWJCAIFC-SJORKVTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961180379 1085627043 /nfs/dbraw/zinc/62/70/43/1085627043.db2.gz GRZMAHPWJCAIFC-SJORKVTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCN1CC[C@@]2(CCC[N@H+]2CC2(CN(C)C)CCCC2)C1=O ZINC001273128138 1086290427 /nfs/dbraw/zinc/29/04/27/1086290427.db2.gz OSYUTYHPYNDEGR-IBGZPJMESA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCN1CC[C@@]2(CCC[N@@H+]2CC2(CN(C)C)CCCC2)C1=O ZINC001273128138 1086290438 /nfs/dbraw/zinc/29/04/38/1086290438.db2.gz OSYUTYHPYNDEGR-IBGZPJMESA-N 1 3 319.493 2.361 20 30 DEEDHO CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCCCN1CC)C(C)C ZINC001276146729 1091597509 /nfs/dbraw/zinc/59/75/09/1091597509.db2.gz JAWABXBEIYLURJ-ROUUACIJSA-N 1 3 321.509 2.347 20 30 DEEDHO C#CCN1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001273475816 1091868871 /nfs/dbraw/zinc/86/88/71/1091868871.db2.gz UAZPDXXMNADLQO-QZTJIDSGSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@H]1CCN[C@H](C)C1)C2 ZINC001246719898 1141044706 /nfs/dbraw/zinc/04/47/06/1141044706.db2.gz HMXUCLXOFYRCTE-XMTFNYHQSA-N 1 3 308.466 2.201 20 30 DEEDHO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@H]1CCN[C@H](C)C1)C2 ZINC001246719898 1141044720 /nfs/dbraw/zinc/04/47/20/1141044720.db2.gz HMXUCLXOFYRCTE-XMTFNYHQSA-N 1 3 308.466 2.201 20 30 DEEDHO C=CCOC[C@]12CCCO[C@@H]1CCN([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246719898 1141044729 /nfs/dbraw/zinc/04/47/29/1141044729.db2.gz HMXUCLXOFYRCTE-XMTFNYHQSA-N 1 3 308.466 2.201 20 30 DEEDHO C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001278582916 1142241840 /nfs/dbraw/zinc/24/18/40/1142241840.db2.gz RVZJHNMDSVWCMY-SJLPKXTDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCN1CCC(NC(=O)N2CC[C@@H](C[NH+](CC)CC)C2)CC1 ZINC001262360233 1144309194 /nfs/dbraw/zinc/30/91/94/1144309194.db2.gz ZZMBFDFFMDIGOQ-INIZCTEOSA-N 1 3 322.497 2.010 20 30 DEEDHO C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)CC(C)(C)C ZINC001264002004 1144440216 /nfs/dbraw/zinc/44/02/16/1144440216.db2.gz QLONUAJJOIXCBL-CVEARBPZSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001264479038 1144545433 /nfs/dbraw/zinc/54/54/33/1144545433.db2.gz ZENXCDWSDBUNAU-YESZJQIVSA-N 1 3 307.482 2.169 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001264713217 1144599690 /nfs/dbraw/zinc/59/96/90/1144599690.db2.gz UETSTJCBPWLYFS-WBVHZDCISA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001264713217 1144599695 /nfs/dbraw/zinc/59/96/95/1144599695.db2.gz UETSTJCBPWLYFS-WBVHZDCISA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001266041449 1144798517 /nfs/dbraw/zinc/79/85/17/1144798517.db2.gz VRJWKCCBHFBDSN-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001365924963 1146913005 /nfs/dbraw/zinc/91/30/05/1146913005.db2.gz MZRVYCBSMRXDQE-KGLIPLIRSA-N 1 3 301.862 2.050 20 30 DEEDHO C#CCNC[C@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001317200600 1147675395 /nfs/dbraw/zinc/67/53/95/1147675395.db2.gz RZRBQBDWXBTSEN-MSOLQXFVSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CC[NH+]1CCC(C)(CNC(=O)C(C)(C)N2CCCC2)CC1 ZINC001324880245 1147855331 /nfs/dbraw/zinc/85/53/31/1147855331.db2.gz MCLFPNPZHZDELP-UHFFFAOYSA-N 1 3 307.482 2.265 20 30 DEEDHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000442713327 529774554 /nfs/dbraw/zinc/77/45/54/529774554.db2.gz ISVBNYVSLXWVOP-OALUTQOASA-N 1 3 312.461 2.216 20 30 DEEDHO C#CCOc1ccccc1C[NH2+]C1CCN(CCCOC)CC1 ZINC000237202287 202188752 /nfs/dbraw/zinc/18/87/52/202188752.db2.gz RYVFSFACIQLXBJ-UHFFFAOYSA-N 1 3 316.445 2.289 20 30 DEEDHO CC1(C#N)CCC([NH2+]CC(=O)NCCN2CCCCCC2)CC1 ZINC000581766736 357245335 /nfs/dbraw/zinc/24/53/35/357245335.db2.gz SAQQBWQUZHGEAX-UHFFFAOYSA-N 1 3 320.481 2.041 20 30 DEEDHO C[C@H](CCC#N)C[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000602535744 360422522 /nfs/dbraw/zinc/42/25/22/360422522.db2.gz RKGYCSQIPFMDLB-OAHLLOKOSA-N 1 3 316.449 2.007 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000606682182 361032148 /nfs/dbraw/zinc/03/21/48/361032148.db2.gz TUCMMQNWOMGUGL-OAHLLOKOSA-N 1 3 322.497 2.056 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000176154419 402284937 /nfs/dbraw/zinc/28/49/37/402284937.db2.gz ZMPJOCAMECKZRL-IAGOWNOFSA-N 1 3 322.497 2.199 20 30 DEEDHO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000248837245 402610439 /nfs/dbraw/zinc/61/04/39/402610439.db2.gz NEIVTSZYCVXKRZ-AYOQOUSVSA-N 1 3 313.445 2.425 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000171726590 402614956 /nfs/dbraw/zinc/61/49/56/402614956.db2.gz VUACJQZWZSIETE-INIZCTEOSA-N 1 3 322.497 2.056 20 30 DEEDHO CC(C)CNC(=[NH2+])NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000284176350 403251281 /nfs/dbraw/zinc/25/12/81/403251281.db2.gz XGLSTLLFVQFPAL-UHFFFAOYSA-N 1 3 318.465 2.220 20 30 DEEDHO C=CCOCCC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000348047935 404022751 /nfs/dbraw/zinc/02/27/51/404022751.db2.gz LWQGGYRAOGDSSJ-CALCHBBNSA-N 1 3 310.482 2.400 20 30 DEEDHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424143875 405020980 /nfs/dbraw/zinc/02/09/80/405020980.db2.gz GSQCUWJCJNYSAU-IXDOHACOSA-N 1 3 320.481 2.121 20 30 DEEDHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424143875 405020987 /nfs/dbraw/zinc/02/09/87/405020987.db2.gz GSQCUWJCJNYSAU-IXDOHACOSA-N 1 3 320.481 2.121 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]([NH2+]C)C1)C(C)C ZINC000417072229 405026780 /nfs/dbraw/zinc/02/67/80/405026780.db2.gz XAWQUCJVPLLTNU-IAGOWNOFSA-N 1 3 322.497 2.078 20 30 DEEDHO C=CCN1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000426350516 405353263 /nfs/dbraw/zinc/35/32/63/405353263.db2.gz HNPXSKRRHPPSJS-UHFFFAOYSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCCCC[NH2+]1)C(C)C ZINC000515654269 406074513 /nfs/dbraw/zinc/07/45/13/406074513.db2.gz KTXGJEIPMARVRQ-IRXDYDNUSA-N 1 3 307.482 2.333 20 30 DEEDHO C#CCN1CCC(C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000490574286 406471552 /nfs/dbraw/zinc/47/15/52/406471552.db2.gz NFSGPUVSKGCMRL-UHFFFAOYSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCN1CCC(C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000490574286 406471558 /nfs/dbraw/zinc/47/15/58/406471558.db2.gz NFSGPUVSKGCMRL-UHFFFAOYSA-N 1 3 319.493 2.102 20 30 DEEDHO N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000571550763 406535234 /nfs/dbraw/zinc/53/52/34/406535234.db2.gz WVTQSJFTYCCPCP-YJNKEBTESA-N 1 3 314.433 2.360 20 30 DEEDHO [NH2+]=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1CCCCC1 ZINC000195291608 225201803 /nfs/dbraw/zinc/20/18/03/225201803.db2.gz SJZDZRFBCUHAGD-QGZVFWFLSA-N 1 3 300.450 2.309 20 30 DEEDHO CN(C)CCCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000264067967 225300167 /nfs/dbraw/zinc/30/01/67/225300167.db2.gz FLPXGSVYLRBPCA-UHFFFAOYSA-N 1 3 304.316 2.264 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001423327154 1173241758 /nfs/dbraw/zinc/24/17/58/1173241758.db2.gz RXEJFPLCFRUOGV-UONOGXRCSA-N 1 3 315.889 2.296 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC000648782401 424905180 /nfs/dbraw/zinc/90/51/80/424905180.db2.gz GHJGYPCYSUXJTJ-BRWVUGGUSA-N 1 3 307.482 2.141 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC000648782401 424905182 /nfs/dbraw/zinc/90/51/82/424905182.db2.gz GHJGYPCYSUXJTJ-BRWVUGGUSA-N 1 3 307.482 2.141 20 30 DEEDHO C=CC[C@@H]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000651830451 425149107 /nfs/dbraw/zinc/14/91/07/425149107.db2.gz UGZQRUXDDYPBBO-MSOLQXFVSA-N 1 3 321.509 2.117 20 30 DEEDHO C=CC[C@H]1CCCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000661379144 425394176 /nfs/dbraw/zinc/39/41/76/425394176.db2.gz USNBBHSSGYBYTE-HNNXBMFYSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CC[C@@]1(C(=O)NC[C@@H](c2ccccc2)N(C)C)CCC[NH2+]1 ZINC000662661885 425706555 /nfs/dbraw/zinc/70/65/55/425706555.db2.gz WIYSMTAGEWAMRE-WMZOPIPTSA-N 1 3 301.434 2.104 20 30 DEEDHO CC#CC[NH2+][C@@H](CCN(C)C(=O)CN(C)CC(C)(C)C)C(C)C ZINC001329761027 1148989850 /nfs/dbraw/zinc/98/98/50/1148989850.db2.gz KFRGDOKNKIYMHQ-KRWDZBQOSA-N 1 3 323.525 2.450 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@H](C[N@@H+](C)CC)C2)CC1 ZINC000177872804 337160876 /nfs/dbraw/zinc/16/08/76/337160876.db2.gz YBMYOPIPJPBRQN-MRXNPFEDSA-N 1 3 322.497 2.010 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@H](C[N@H+](C)CC)C2)CC1 ZINC000177872804 337160877 /nfs/dbraw/zinc/16/08/77/337160877.db2.gz YBMYOPIPJPBRQN-MRXNPFEDSA-N 1 3 322.497 2.010 20 30 DEEDHO C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001442335369 1182424365 /nfs/dbraw/zinc/42/43/65/1182424365.db2.gz GNUIYKUCSMOLST-ZIAGYGMSSA-N 1 3 301.862 2.098 20 30 DEEDHO C=CC[C@@H](CO)C[NH2+]Cc1ccccc1N1CCN(CC)CC1 ZINC000341296346 527080235 /nfs/dbraw/zinc/08/02/35/527080235.db2.gz JJONVQNHWSTRTR-QGZVFWFLSA-N 1 3 317.477 2.103 20 30 DEEDHO C=CC[C@H](CC)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000375640500 527151765 /nfs/dbraw/zinc/15/17/65/527151765.db2.gz BLIGJUCVYAYKCD-HNNXBMFYSA-N 1 3 322.497 2.199 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)C[C@@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000340120148 527648303 /nfs/dbraw/zinc/64/83/03/527648303.db2.gz HFABJPJUYCSELK-YESZJQIVSA-N 1 3 307.482 2.319 20 30 DEEDHO CCCNc1ccc(CNC(=[NH2+])NC[C@@H]2CCCN2CC)cc1 ZINC000193062572 528563022 /nfs/dbraw/zinc/56/30/22/528563022.db2.gz YGEWTLVMKBXCDN-KRWDZBQOSA-N 1 3 317.481 2.397 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCCC1(F)F ZINC000263025725 529100585 /nfs/dbraw/zinc/10/05/85/529100585.db2.gz AORJJXLOLYARNL-OLZOCXBDSA-N 1 3 302.413 2.201 20 30 DEEDHO C#CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001327499632 1148570835 /nfs/dbraw/zinc/57/08/35/1148570835.db2.gz KNRAAAOIYMFDRA-SFHVURJKSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001020673551 623059452 /nfs/dbraw/zinc/05/94/52/623059452.db2.gz LPHWPSLUKJTSJM-KKUMJFAQSA-N 1 3 313.873 2.240 20 30 DEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970529846 623523534 /nfs/dbraw/zinc/52/35/34/623523534.db2.gz TYUQJLXHPBOUAU-WBVHZDCISA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000970529846 623523536 /nfs/dbraw/zinc/52/35/36/623523536.db2.gz TYUQJLXHPBOUAU-WBVHZDCISA-N 1 3 307.482 2.262 20 30 DEEDHO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H](O)CN1CCCCC1 ZINC000921585948 633736207 /nfs/dbraw/zinc/73/62/07/633736207.db2.gz HBCIGYMLFJVFOL-KRWDZBQOSA-N 1 3 301.434 2.112 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3CCC)[C@@H]2C1 ZINC000978229544 634249493 /nfs/dbraw/zinc/24/94/93/634249493.db2.gz JODMXQIZKKLHHT-ZJPYXAASSA-N 1 3 319.493 2.121 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3CCC)[C@@H]2C1 ZINC000978229544 634249501 /nfs/dbraw/zinc/24/95/01/634249501.db2.gz JODMXQIZKKLHHT-ZJPYXAASSA-N 1 3 319.493 2.121 20 30 DEEDHO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001027602064 634255913 /nfs/dbraw/zinc/25/59/13/634255913.db2.gz KQGKXKMRRMCICJ-IRXDYDNUSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001027602064 634255916 /nfs/dbraw/zinc/25/59/16/634255916.db2.gz KQGKXKMRRMCICJ-IRXDYDNUSA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001027628659 634334086 /nfs/dbraw/zinc/33/40/86/634334086.db2.gz HOWVTUUECPGNNF-KRWDZBQOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001027628659 634334090 /nfs/dbraw/zinc/33/40/90/634334090.db2.gz HOWVTUUECPGNNF-KRWDZBQOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027877711 634846145 /nfs/dbraw/zinc/84/61/45/634846145.db2.gz ABTFLZQJRKIDRI-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027877711 634846147 /nfs/dbraw/zinc/84/61/47/634846147.db2.gz ABTFLZQJRKIDRI-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027877709 634846165 /nfs/dbraw/zinc/84/61/65/634846165.db2.gz ABTFLZQJRKIDRI-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027877709 634846168 /nfs/dbraw/zinc/84/61/68/634846168.db2.gz ABTFLZQJRKIDRI-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC001027985572 635169075 /nfs/dbraw/zinc/16/90/75/635169075.db2.gz LEOVVMFMFJPQAB-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC001027985572 635169078 /nfs/dbraw/zinc/16/90/78/635169078.db2.gz LEOVVMFMFJPQAB-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN1CC=C(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001001370155 635480285 /nfs/dbraw/zinc/48/02/85/635480285.db2.gz HLRDZZXZFNDAOK-IAGOWNOFSA-N 1 3 305.466 2.041 20 30 DEEDHO C=CCCN1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000981438171 635483528 /nfs/dbraw/zinc/48/35/28/635483528.db2.gz KGVMEFNZMRLUIE-SJORKVTESA-N 1 3 305.466 2.114 20 30 DEEDHO C=CCCN1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000981438171 635483530 /nfs/dbraw/zinc/48/35/30/635483530.db2.gz KGVMEFNZMRLUIE-SJORKVTESA-N 1 3 305.466 2.114 20 30 DEEDHO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@@]2(C)C1 ZINC000982295957 635953384 /nfs/dbraw/zinc/95/33/84/635953384.db2.gz HJXGDSDJBMHVEN-HDICACEKSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@@]2(C)C1 ZINC000982295957 635953386 /nfs/dbraw/zinc/95/33/86/635953386.db2.gz HJXGDSDJBMHVEN-HDICACEKSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)N(C)C)C[C@@]2(C)C1 ZINC000982561726 636267685 /nfs/dbraw/zinc/26/76/85/636267685.db2.gz ZPOUDVYHQBZMIT-RYQLBKOJSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)N(C)C)C[C@@]2(C)C1 ZINC000982561726 636267690 /nfs/dbraw/zinc/26/76/90/636267690.db2.gz ZPOUDVYHQBZMIT-RYQLBKOJSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001004462478 636460405 /nfs/dbraw/zinc/46/04/05/636460405.db2.gz DIFOTLFLMNTQHU-ROUUACIJSA-N 1 3 321.509 2.462 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001004462478 636460407 /nfs/dbraw/zinc/46/04/07/636460407.db2.gz DIFOTLFLMNTQHU-ROUUACIJSA-N 1 3 321.509 2.462 20 30 DEEDHO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982831672 636495932 /nfs/dbraw/zinc/49/59/32/636495932.db2.gz PSTVTIFMMPLJOP-RWQQGDIJSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982831672 636495935 /nfs/dbraw/zinc/49/59/35/636495935.db2.gz PSTVTIFMMPLJOP-RWQQGDIJSA-N 1 3 319.493 2.216 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004617125 636502965 /nfs/dbraw/zinc/50/29/65/636502965.db2.gz OSGXXQQAMBQQEW-SFHVURJKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004617125 636502970 /nfs/dbraw/zinc/50/29/70/636502970.db2.gz OSGXXQQAMBQQEW-SFHVURJKSA-N 1 3 319.493 2.361 20 30 DEEDHO Cc1ccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)cc1C#N ZINC000896880801 638755794 /nfs/dbraw/zinc/75/57/94/638755794.db2.gz OWTHHGWUQSVOKY-UHFFFAOYSA-N 1 3 301.434 2.192 20 30 DEEDHO C=CCC[N@H+]1CCCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000989737736 641215094 /nfs/dbraw/zinc/21/50/94/641215094.db2.gz XPOPZPITCHJUCD-UHFFFAOYSA-N 1 3 315.461 2.472 20 30 DEEDHO C=CCC[N@@H+]1CCCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000989737736 641215096 /nfs/dbraw/zinc/21/50/96/641215096.db2.gz XPOPZPITCHJUCD-UHFFFAOYSA-N 1 3 315.461 2.472 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000901075657 642561189 /nfs/dbraw/zinc/56/11/89/642561189.db2.gz MNVMGVCFEZIFRR-SFHVURJKSA-N 1 3 315.461 2.227 20 30 DEEDHO C#CCN1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000948829234 646695830 /nfs/dbraw/zinc/69/58/30/646695830.db2.gz HHTMKRYVUXVZNB-ROUUACIJSA-N 1 3 319.493 2.195 20 30 DEEDHO C#CCN1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829234 646695833 /nfs/dbraw/zinc/69/58/33/646695833.db2.gz HHTMKRYVUXVZNB-ROUUACIJSA-N 1 3 319.493 2.195 20 30 DEEDHO C#CCCN1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000994134670 647791551 /nfs/dbraw/zinc/79/15/51/647791551.db2.gz PORDLELOVZQWKD-SJLPKXTDSA-N 1 3 319.493 2.099 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Cl)cc1OC ZINC000304746577 685258922 /nfs/dbraw/zinc/25/89/22/685258922.db2.gz FXNAVVWYTUXSJC-AWEZNQCLSA-N 1 3 324.856 2.237 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000104153998 684058391 /nfs/dbraw/zinc/05/83/91/684058391.db2.gz XVCGZEBVPGZWIO-CQSZACIVSA-N 1 3 318.421 2.059 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001054646675 694014634 /nfs/dbraw/zinc/01/46/34/694014634.db2.gz CIQJQWPXZLTNBV-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[NH+]1CCC2(C[C@H]2NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001016828056 687711955 /nfs/dbraw/zinc/71/19/55/687711955.db2.gz CEQUQWMCRYYUDY-JKSUJKDBSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001017611712 687924592 /nfs/dbraw/zinc/92/45/92/687924592.db2.gz VYAJZCWPYXIWJI-KURKYZTESA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001017611712 687924596 /nfs/dbraw/zinc/92/45/96/687924596.db2.gz VYAJZCWPYXIWJI-KURKYZTESA-N 1 3 319.493 2.216 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001033083707 689381586 /nfs/dbraw/zinc/38/15/86/689381586.db2.gz WZNWSRDGFGNYRY-IAGOWNOFSA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001033083707 689381589 /nfs/dbraw/zinc/38/15/89/689381589.db2.gz WZNWSRDGFGNYRY-IAGOWNOFSA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000876709385 689911730 /nfs/dbraw/zinc/91/17/30/689911730.db2.gz QIZAQZVKAACQHG-JKSUJKDBSA-N 1 3 321.852 2.410 20 30 DEEDHO C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCCN2CCCC)CC1 ZINC001034775410 689945462 /nfs/dbraw/zinc/94/54/62/689945462.db2.gz OEEFCYCMWXUUAJ-KZNAEPCWSA-N 1 3 319.493 2.291 20 30 DEEDHO C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2 ZINC001035226958 690067226 /nfs/dbraw/zinc/06/72/26/690067226.db2.gz PDWFWDHFCBDZMU-MRXNPFEDSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2 ZINC001035226958 690067232 /nfs/dbraw/zinc/06/72/32/690067232.db2.gz PDWFWDHFCBDZMU-MRXNPFEDSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039134004 691030289 /nfs/dbraw/zinc/03/02/89/691030289.db2.gz NQYUESBPMABGIB-MSOLQXFVSA-N 1 3 319.493 2.073 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039134004 691030291 /nfs/dbraw/zinc/03/02/91/691030291.db2.gz NQYUESBPMABGIB-MSOLQXFVSA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001039159427 691035171 /nfs/dbraw/zinc/03/51/71/691035171.db2.gz NGYKCYSGTBCILK-ROUUACIJSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001039159427 691035176 /nfs/dbraw/zinc/03/51/76/691035176.db2.gz NGYKCYSGTBCILK-ROUUACIJSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039216240 691057713 /nfs/dbraw/zinc/05/77/13/691057713.db2.gz ZATXDFKPFSPTJO-AEFFLSMTSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039216240 691057714 /nfs/dbraw/zinc/05/77/14/691057714.db2.gz ZATXDFKPFSPTJO-AEFFLSMTSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039239649 691064543 /nfs/dbraw/zinc/06/45/43/691064543.db2.gz UGUJNJGEXCJVCL-NVXWUHKLSA-N 1 3 316.449 2.231 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039239649 691064544 /nfs/dbraw/zinc/06/45/44/691064544.db2.gz UGUJNJGEXCJVCL-NVXWUHKLSA-N 1 3 316.449 2.231 20 30 DEEDHO C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C(C)C)N(C)C ZINC001039280823 691074191 /nfs/dbraw/zinc/07/41/91/691074191.db2.gz FVYWYEVNFDSIEZ-HMQMGEFJSA-N 1 3 307.482 2.260 20 30 DEEDHO C=CCN1CCC(C)(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001045438275 691981329 /nfs/dbraw/zinc/98/13/29/691981329.db2.gz NFJASTJWJKQCOB-HZPDHXFCSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CCN1CCC(C)(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001045438275 691981332 /nfs/dbraw/zinc/98/13/32/691981332.db2.gz NFJASTJWJKQCOB-HZPDHXFCSA-N 1 3 305.466 2.018 20 30 DEEDHO CC#CCN1CCC(C)(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001045619379 692006476 /nfs/dbraw/zinc/00/64/76/692006476.db2.gz FJFDGWLNIHOKPB-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049232367 692795799 /nfs/dbraw/zinc/79/57/99/692795799.db2.gz UEQUERMTDORLHC-XLAORIBOSA-N 1 3 319.493 2.216 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049232367 692795801 /nfs/dbraw/zinc/79/58/01/692795801.db2.gz UEQUERMTDORLHC-XLAORIBOSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049713552 692973072 /nfs/dbraw/zinc/97/30/72/692973072.db2.gz ZGXFRJNHUXBAJC-IXDOHACOSA-N 1 3 307.482 2.214 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049713552 692973075 /nfs/dbraw/zinc/97/30/75/692973075.db2.gz ZGXFRJNHUXBAJC-IXDOHACOSA-N 1 3 307.482 2.214 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001050047278 693091619 /nfs/dbraw/zinc/09/16/19/693091619.db2.gz VKAKOQHDVNABGD-RCCFBDPRSA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001050047278 693091620 /nfs/dbraw/zinc/09/16/20/693091620.db2.gz VKAKOQHDVNABGD-RCCFBDPRSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCC[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001050651917 693224493 /nfs/dbraw/zinc/22/44/93/693224493.db2.gz NSAHAUYDYINOBX-MRXNPFEDSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)CC1 ZINC001050686866 693232248 /nfs/dbraw/zinc/23/22/48/693232248.db2.gz FNLMVVUQODQCDD-QGZVFWFLSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H](C(C)C)N(C)C)c(F)c1 ZINC001333480121 1150055739 /nfs/dbraw/zinc/05/57/39/1150055739.db2.gz PJHNVVNOVLFUMF-QGZVFWFLSA-N 1 3 321.440 2.304 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001375577431 1158818630 /nfs/dbraw/zinc/81/86/30/1158818630.db2.gz KIPVUKBZNDFHTO-ZNMIVQPWSA-N 1 3 315.889 2.200 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001397120477 1160001815 /nfs/dbraw/zinc/00/18/15/1160001815.db2.gz GRXLFAKUWXWUFQ-RBSFLKMASA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001397120477 1160001823 /nfs/dbraw/zinc/00/18/23/1160001823.db2.gz GRXLFAKUWXWUFQ-RBSFLKMASA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001423327154 1173241738 /nfs/dbraw/zinc/24/17/38/1173241738.db2.gz RXEJFPLCFRUOGV-UONOGXRCSA-N 1 3 315.889 2.296 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106282095 782613113 /nfs/dbraw/zinc/61/31/13/782613113.db2.gz UFPHYNMTMUWDHM-ZACQAIPSSA-N 1 3 309.498 2.223 20 30 DEEDHO CC#CC[N@@H+]1CC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493149 783159824 /nfs/dbraw/zinc/15/98/24/783159824.db2.gz UOAWKFUXKXMXBM-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493149 783159828 /nfs/dbraw/zinc/15/98/28/783159828.db2.gz UOAWKFUXKXMXBM-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001104676376 778015372 /nfs/dbraw/zinc/01/53/72/778015372.db2.gz HHQCWYOJDCWZGO-BRWVUGGUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H]1CC ZINC001087696903 779414988 /nfs/dbraw/zinc/41/49/88/779414988.db2.gz RWNXADOPUCBUQH-YESZJQIVSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H]1CC ZINC001087696903 779414991 /nfs/dbraw/zinc/41/49/91/779414991.db2.gz RWNXADOPUCBUQH-YESZJQIVSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001101571067 780413989 /nfs/dbraw/zinc/41/39/89/780413989.db2.gz HAOHDHBBJAUQPD-QGZVFWFLSA-N 1 3 321.509 2.060 20 30 DEEDHO C#CCN1CCC(C(=O)NCC2CC([NH2+]CCCCC)C2)CC1 ZINC001101025119 780918257 /nfs/dbraw/zinc/91/82/57/780918257.db2.gz WNDUVGOUWJWNMH-UHFFFAOYSA-N 1 3 319.493 2.006 20 30 DEEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001089642054 783314411 /nfs/dbraw/zinc/31/44/11/783314411.db2.gz AELAIWMFSXXULP-OWCLPIDISA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001089642054 783314422 /nfs/dbraw/zinc/31/44/22/783314422.db2.gz AELAIWMFSXXULP-OWCLPIDISA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001085639223 783915045 /nfs/dbraw/zinc/91/50/45/783915045.db2.gz KVEIOCANFYTRJC-IRXDYDNUSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001085639223 783915048 /nfs/dbraw/zinc/91/50/48/783915048.db2.gz KVEIOCANFYTRJC-IRXDYDNUSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000967709217 784098927 /nfs/dbraw/zinc/09/89/27/784098927.db2.gz XLRTXYWQDJOUKK-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000967709217 784098934 /nfs/dbraw/zinc/09/89/34/784098934.db2.gz XLRTXYWQDJOUKK-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001007500171 784936571 /nfs/dbraw/zinc/93/65/71/784936571.db2.gz RAQBTQKNKWTSIP-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CN1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007500171 784936579 /nfs/dbraw/zinc/93/65/79/784936579.db2.gz RAQBTQKNKWTSIP-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001091318880 791087306 /nfs/dbraw/zinc/08/73/06/791087306.db2.gz UBLUNQMGSMGFON-JCYILVPMSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)N(C)CC)C2 ZINC001108717767 785503455 /nfs/dbraw/zinc/50/34/55/785503455.db2.gz UPSGSERXDCWYNU-XHSDSOJGSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108830236 785557990 /nfs/dbraw/zinc/55/79/90/785557990.db2.gz GQSNMGFBOUYVBE-BBWFWOEESA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001100320854 787438198 /nfs/dbraw/zinc/43/81/98/787438198.db2.gz VRWNMNQBHCTJBZ-OFLPRAFFSA-N 1 3 307.482 2.310 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C ZINC001132892615 788220103 /nfs/dbraw/zinc/22/01/03/788220103.db2.gz HCJSJXGEXNDTIR-CVEARBPZSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)CC[C@H]1C ZINC001133190252 788312446 /nfs/dbraw/zinc/31/24/46/788312446.db2.gz FSBRBODQIBTABX-UKRRQHHQSA-N 1 3 315.889 2.155 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C ZINC001133274073 788346375 /nfs/dbraw/zinc/34/63/75/788346375.db2.gz AVZOZDULJKIKCK-IAGOWNOFSA-N 1 3 309.498 2.369 20 30 DEEDHO C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369906 788900301 /nfs/dbraw/zinc/90/03/01/788900301.db2.gz USLJCTUUHJXSNB-CVEARBPZSA-N 1 3 307.482 2.147 20 30 DEEDHO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146583522 791316746 /nfs/dbraw/zinc/31/67/46/791316746.db2.gz MHMDOBPDARCLCJ-HOTGVXAUSA-N 1 3 315.461 2.258 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001148226511 791715963 /nfs/dbraw/zinc/71/59/63/791715963.db2.gz HQVPMWMFXMAJRX-DLBZAZTESA-N 1 3 321.509 2.462 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001148226511 791715972 /nfs/dbraw/zinc/71/59/72/791715972.db2.gz HQVPMWMFXMAJRX-DLBZAZTESA-N 1 3 321.509 2.462 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148292898 791731063 /nfs/dbraw/zinc/73/10/63/791731063.db2.gz ZKOOVXIHTYKSTF-IAGOWNOFSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148292898 791731068 /nfs/dbraw/zinc/73/10/68/791731068.db2.gz ZKOOVXIHTYKSTF-IAGOWNOFSA-N 1 3 319.493 2.217 20 30 DEEDHO CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001086928899 791859447 /nfs/dbraw/zinc/85/94/47/791859447.db2.gz RKWIXVFCUGLVDS-DLBZAZTESA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001101591058 793253682 /nfs/dbraw/zinc/25/36/82/793253682.db2.gz CNTPKQJLFBPVPZ-UHFFFAOYSA-N 1 3 321.509 2.206 20 30 DEEDHO C=CC[NH2+]CC(C)(C)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001101591327 793254517 /nfs/dbraw/zinc/25/45/17/793254517.db2.gz SLPWOVUFZBUEBB-UHFFFAOYSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330211 793578019 /nfs/dbraw/zinc/57/80/19/793578019.db2.gz JBMCELBIAXZDNI-BRWVUGGUSA-N 1 3 309.498 2.223 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330211 793578023 /nfs/dbraw/zinc/57/80/23/793578023.db2.gz JBMCELBIAXZDNI-BRWVUGGUSA-N 1 3 309.498 2.223 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102531990 793643895 /nfs/dbraw/zinc/64/38/95/793643895.db2.gz OVIZSNCUCGAIFI-IIAWOOMASA-N 1 3 318.465 2.299 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102531990 793643901 /nfs/dbraw/zinc/64/39/01/793643901.db2.gz OVIZSNCUCGAIFI-IIAWOOMASA-N 1 3 318.465 2.299 20 30 DEEDHO CCOC(=O)CC1(N)CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173332864 793679991 /nfs/dbraw/zinc/67/99/91/793679991.db2.gz VEONODVUVGAURF-UHFFFAOYSA-N 1 3 307.438 2.205 20 30 DEEDHO N#CCC1CCC(N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC001173337767 793681809 /nfs/dbraw/zinc/68/18/09/793681809.db2.gz SQKWCLHRMHBDMT-UHFFFAOYSA-N 1 3 304.482 2.172 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103436337 794092197 /nfs/dbraw/zinc/09/21/97/794092197.db2.gz UJLUAWWSVGTODJ-KZNAEPCWSA-N 1 3 321.509 2.369 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103436337 794092204 /nfs/dbraw/zinc/09/22/04/794092204.db2.gz UJLUAWWSVGTODJ-KZNAEPCWSA-N 1 3 321.509 2.369 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755992 794214200 /nfs/dbraw/zinc/21/42/00/794214200.db2.gz TUHUYHLQTZNOAL-IAGOWNOFSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755992 794214206 /nfs/dbraw/zinc/21/42/06/794214206.db2.gz TUHUYHLQTZNOAL-IAGOWNOFSA-N 1 3 309.498 2.367 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CC(=C)C)CC1 ZINC001176737661 794484143 /nfs/dbraw/zinc/48/41/43/794484143.db2.gz MGKFWGPMNMPOQQ-KRWDZBQOSA-N 1 3 319.493 2.172 20 30 DEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CC/C=C\CCC)CC1 ZINC001176925861 794530388 /nfs/dbraw/zinc/53/03/88/794530388.db2.gz CUWQIVPXIBEBHU-SREVYHEPSA-N 1 3 319.493 2.174 20 30 DEEDHO C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001178360947 794908645 /nfs/dbraw/zinc/90/86/45/794908645.db2.gz SXWFLHYJAHCJCQ-ULQDDVLXSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001121267823 795609885 /nfs/dbraw/zinc/60/98/85/795609885.db2.gz VXKJCZCPNMKKQK-HVEGKCCWSA-N 1 3 307.482 2.166 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)N(C)CC)C[C@@H]1C ZINC001184714335 796109348 /nfs/dbraw/zinc/10/93/48/796109348.db2.gz XMDBFRQUBRIJOI-HOTGVXAUSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001185551327 796281506 /nfs/dbraw/zinc/28/15/06/796281506.db2.gz ZDBGCFFAHCQXLN-SJORKVTESA-N 1 3 309.498 2.369 20 30 DEEDHO CCCCCCC[NH2+][C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001185660020 796301173 /nfs/dbraw/zinc/30/11/73/796301173.db2.gz VNWVGBKZNHOBEJ-DLBZAZTESA-N 1 3 309.498 2.489 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185749542 796309924 /nfs/dbraw/zinc/30/99/24/796309924.db2.gz CJMWQCZGFVMIFT-IRXDYDNUSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCC[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203028399 796515240 /nfs/dbraw/zinc/51/52/40/796515240.db2.gz NJOCXMLELXFAPA-GJZGRUSLSA-N 1 3 305.466 2.064 20 30 DEEDHO C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192385158 797377911 /nfs/dbraw/zinc/37/79/11/797377911.db2.gz FDGCLEUGTPCLSD-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192385158 797377919 /nfs/dbraw/zinc/37/79/19/797377919.db2.gz FDGCLEUGTPCLSD-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO CC#CCN(CC)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156961211 798117172 /nfs/dbraw/zinc/11/71/72/798117172.db2.gz IAXSAGGKUXRLFD-QGZVFWFLSA-N 1 3 307.482 2.102 20 30 DEEDHO C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001158472950 798412199 /nfs/dbraw/zinc/41/21/99/798412199.db2.gz GXSSPXYHFOEJAB-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001158472950 798412203 /nfs/dbraw/zinc/41/22/03/798412203.db2.gz GXSSPXYHFOEJAB-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160367224 798679990 /nfs/dbraw/zinc/67/99/90/798679990.db2.gz FQEISXLOJKONQA-SFHVURJKSA-N 1 3 319.493 2.431 20 30 DEEDHO C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160367224 798679993 /nfs/dbraw/zinc/67/99/93/798679993.db2.gz FQEISXLOJKONQA-SFHVURJKSA-N 1 3 319.493 2.431 20 30 DEEDHO C#CCN1CC=C(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001161993635 798987098 /nfs/dbraw/zinc/98/70/98/798987098.db2.gz FYETZOKODVUNED-UHFFFAOYSA-N 1 3 317.477 2.024 20 30 DEEDHO CCN(CC)CCNC(=[NH2+])Nc1nccc2ccc(C#N)cc21 ZINC001163125776 799251558 /nfs/dbraw/zinc/25/15/58/799251558.db2.gz JUUZCXRPVDVJGG-UHFFFAOYSA-N 1 3 310.405 2.385 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203514890 800066718 /nfs/dbraw/zinc/06/67/18/800066718.db2.gz PHLTXYGIDYAYIY-ZIAGYGMSSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203660038 800102591 /nfs/dbraw/zinc/10/25/91/800102591.db2.gz NUDZKTVMKJVCQR-HOTGVXAUSA-N 1 3 316.449 2.244 20 30 DEEDHO C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001205490498 800363445 /nfs/dbraw/zinc/36/34/45/800363445.db2.gz JJNOJPVARPEJGK-KRWDZBQOSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCCC[NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001206275710 800501352 /nfs/dbraw/zinc/50/13/52/800501352.db2.gz ZGMLMYJZCFHSAD-INIZCTEOSA-N 1 3 307.482 2.123 20 30 DEEDHO C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001209950265 801311769 /nfs/dbraw/zinc/31/17/69/801311769.db2.gz DMKZEYRUMIWQDB-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230629278 801440958 /nfs/dbraw/zinc/44/09/58/801440958.db2.gz NDEZETUKVMUOTI-QGZVFWFLSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230629278 801440960 /nfs/dbraw/zinc/44/09/60/801440960.db2.gz NDEZETUKVMUOTI-QGZVFWFLSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCCCCC[C@H](N)C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220159077 802417314 /nfs/dbraw/zinc/41/73/14/802417314.db2.gz MEDXCHNRRDSSCK-RYRKJORJSA-N 1 3 307.482 2.489 20 30 DEEDHO C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001225278628 802950778 /nfs/dbraw/zinc/95/07/78/802950778.db2.gz VQNZLJNPNIOHJR-CQSZACIVSA-N 1 3 318.465 2.444 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1C(C)C ZINC001226170998 803065285 /nfs/dbraw/zinc/06/52/85/803065285.db2.gz USQMZNTUBPGVMP-ZACQAIPSSA-N 1 3 307.482 2.452 20 30 DEEDHO C=CCCC[NH+]1CCC(NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001228568859 803375858 /nfs/dbraw/zinc/37/58/58/803375858.db2.gz DFHXVPOSVWWOCW-UHFFFAOYSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001500546612 1058910887 /nfs/dbraw/zinc/91/08/87/1058910887.db2.gz DIVSCOSEGGJFDQ-SFHVURJKSA-N 1 3 318.465 2.445 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001500546612 1058910901 /nfs/dbraw/zinc/91/09/01/1058910901.db2.gz DIVSCOSEGGJFDQ-SFHVURJKSA-N 1 3 318.465 2.445 20 30 DEEDHO CC#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001479519466 1061488566 /nfs/dbraw/zinc/48/85/66/1061488566.db2.gz LPWYCBWUGWORRD-AEFFLSMTSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001479747350 1061675962 /nfs/dbraw/zinc/67/59/62/1061675962.db2.gz XQUFKOQJWXOAFL-OAHLLOKOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001479747350 1061675977 /nfs/dbraw/zinc/67/59/77/1061675977.db2.gz XQUFKOQJWXOAFL-OAHLLOKOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001480161538 1062408856 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DEEDHO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001275928561 1092324287 /nfs/dbraw/zinc/32/42/87/1092324287.db2.gz OCIGKKRDIVAGMZ-YOEHRIQHSA-N 1 3 313.461 2.212 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)CCC=C)CC1 ZINC001276011052 1092504719 /nfs/dbraw/zinc/50/47/19/1092504719.db2.gz KZYHYBVHJFXQDG-DLBZAZTESA-N 1 3 319.493 2.123 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)CCC=C)CC1 ZINC001276011052 1092504732 /nfs/dbraw/zinc/50/47/32/1092504732.db2.gz KZYHYBVHJFXQDG-DLBZAZTESA-N 1 3 319.493 2.123 20 30 DEEDHO C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001488912373 1092813510 /nfs/dbraw/zinc/81/35/10/1092813510.db2.gz MZCUKQNFYPSFGA-DLBZAZTESA-N 1 3 319.493 2.149 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1CC ZINC001278007996 1138419448 /nfs/dbraw/zinc/41/94/48/1138419448.db2.gz ZEKDPNSJNGAKKG-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001278308532 1139256730 /nfs/dbraw/zinc/25/67/30/1139256730.db2.gz OPBWROHMESYYEV-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]21 ZINC001278496202 1141650101 /nfs/dbraw/zinc/65/01/01/1141650101.db2.gz YNFIHHUURUMKGU-BRWVUGGUSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001323860195 1141894016 /nfs/dbraw/zinc/89/40/16/1141894016.db2.gz OQVIDTZNUXKYQK-GOSISDBHSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001323860195 1141894017 /nfs/dbraw/zinc/89/40/17/1141894017.db2.gz OQVIDTZNUXKYQK-GOSISDBHSA-N 1 3 307.482 2.075 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001323873523 1141895536 /nfs/dbraw/zinc/89/55/36/1141895536.db2.gz PEXVNAGHWISDNO-GOSISDBHSA-N 1 3 307.482 2.219 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001323873523 1141895537 /nfs/dbraw/zinc/89/55/37/1141895537.db2.gz PEXVNAGHWISDNO-GOSISDBHSA-N 1 3 307.482 2.219 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001278685529 1142827704 /nfs/dbraw/zinc/82/77/04/1142827704.db2.gz AEYGEHCOSLVGPU-AEFFLSMTSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001278685529 1142827705 /nfs/dbraw/zinc/82/77/05/1142827705.db2.gz AEYGEHCOSLVGPU-AEFFLSMTSA-N 1 3 309.498 2.367 20 30 DEEDHO N#CC1(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC001254047027 1143030505 /nfs/dbraw/zinc/03/05/05/1143030505.db2.gz HDGXYNPNDDEKCB-UHFFFAOYSA-N 1 3 313.445 2.297 20 30 DEEDHO C#CC1CC[NH+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254041465 1143031227 /nfs/dbraw/zinc/03/12/27/1143031227.db2.gz KFBPDPAWRIVBPO-UHFFFAOYSA-N 1 3 312.457 2.359 20 30 DEEDHO C#CCCN(C)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001278911502 1143830246 /nfs/dbraw/zinc/83/02/46/1143830246.db2.gz BDFNUDQDWBXITC-KRWDZBQOSA-N 1 3 307.482 2.053 20 30 DEEDHO C#CCCN(C)CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC001278911502 1143830247 /nfs/dbraw/zinc/83/02/47/1143830247.db2.gz BDFNUDQDWBXITC-KRWDZBQOSA-N 1 3 307.482 2.053 20 30 DEEDHO CCCCCCCC[C@@H](N)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001263238850 1144362738 /nfs/dbraw/zinc/36/27/38/1144362738.db2.gz VKVBKLBSIQTFJM-OAHLLOKOSA-N 1 3 313.486 2.031 20 30 DEEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001264380953 1144522280 /nfs/dbraw/zinc/52/22/80/1144522280.db2.gz UITPFWMMZZPLMH-DLBZAZTESA-N 1 3 307.482 2.216 20 30 DEEDHO CC#CCN1CC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001281559634 1144897369 /nfs/dbraw/zinc/89/73/69/1144897369.db2.gz XYXCFRFOZFXZCS-IAGOWNOFSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001281559634 1144897370 /nfs/dbraw/zinc/89/73/70/1144897370.db2.gz XYXCFRFOZFXZCS-IAGOWNOFSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)CCC)C[C@H]21 ZINC001284104932 1145800107 /nfs/dbraw/zinc/80/01/07/1145800107.db2.gz ZXIRSEKEZLFZOL-BRWVUGGUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCCC[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001284976726 1146000534 /nfs/dbraw/zinc/00/05/34/1146000534.db2.gz NQHIKIMLPAVJCR-KRWDZBQOSA-N 1 3 307.482 2.287 20 30 DEEDHO C=CCCC[N@@H+]1CC=C(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001284976726 1146000539 /nfs/dbraw/zinc/00/05/39/1146000539.db2.gz NQHIKIMLPAVJCR-KRWDZBQOSA-N 1 3 307.482 2.287 20 30 DEEDHO C#CCC[NH2+][C@H]1CCCCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001316773736 1147577974 /nfs/dbraw/zinc/57/79/74/1147577974.db2.gz PAMBBKTXDDJKNQ-KRWDZBQOSA-N 1 3 321.509 2.348 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001317201944 1147675596 /nfs/dbraw/zinc/67/55/96/1147675596.db2.gz DPQROPZZXKZDNU-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001317201944 1147675598 /nfs/dbraw/zinc/67/55/98/1147675598.db2.gz DPQROPZZXKZDNU-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)CN(C)C ZINC000291663579 404469400 /nfs/dbraw/zinc/46/94/00/404469400.db2.gz FKICVKOUMIUNQQ-OAHLLOKOSA-N 1 3 300.450 2.314 20 30 DEEDHO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3CN)CC2)nc1 ZINC000591570862 357736518 /nfs/dbraw/zinc/73/65/18/357736518.db2.gz XUMYRZSCYPLSFH-NVXWUHKLSA-N 1 3 313.449 2.029 20 30 DEEDHO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H](N)CCCCC#N ZINC000594436635 358270376 /nfs/dbraw/zinc/27/03/76/358270376.db2.gz PALBODIEGXIFBF-MRXNPFEDSA-N 1 3 308.470 2.121 20 30 DEEDHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H](N)CCCCC#N ZINC000594436635 358270378 /nfs/dbraw/zinc/27/03/78/358270378.db2.gz PALBODIEGXIFBF-MRXNPFEDSA-N 1 3 308.470 2.121 20 30 DEEDHO CN(C)CCOc1ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598721198 359305584 /nfs/dbraw/zinc/30/55/84/359305584.db2.gz UDABVWMAYLQJEQ-INIZCTEOSA-N 1 3 319.449 2.017 20 30 DEEDHO C[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CN1 ZINC000600707346 359803458 /nfs/dbraw/zinc/80/34/58/359803458.db2.gz AXOPUIJZTZCYRK-HNAYVOBHSA-N 1 3 312.461 2.253 20 30 DEEDHO C[C@H]1CC[C@@H](NC2CCN(Cc3ccc(C#N)cc3)CC2)C[NH2+]1 ZINC000600707346 359803464 /nfs/dbraw/zinc/80/34/64/359803464.db2.gz AXOPUIJZTZCYRK-HNAYVOBHSA-N 1 3 312.461 2.253 20 30 DEEDHO C[C@@H](CCC#N)C[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000602535743 360422573 /nfs/dbraw/zinc/42/25/73/360422573.db2.gz RKGYCSQIPFMDLB-HNNXBMFYSA-N 1 3 316.449 2.007 20 30 DEEDHO CN(C)C(=[NH+]C[C@@H]1CCCN(Cc2cccs2)C1)N(C)C ZINC000104180778 402199683 /nfs/dbraw/zinc/19/96/83/402199683.db2.gz RLWQHPYEYAXVLD-AWEZNQCLSA-N 1 3 308.495 2.439 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000106272042 402212382 /nfs/dbraw/zinc/21/23/82/402212382.db2.gz UCXDMIXZOVXINX-UHFFFAOYSA-N 1 3 322.497 2.201 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000106272042 402212386 /nfs/dbraw/zinc/21/23/86/402212386.db2.gz UCXDMIXZOVXINX-UHFFFAOYSA-N 1 3 322.497 2.201 20 30 DEEDHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cccc(C#N)c1 ZINC000177380476 402395846 /nfs/dbraw/zinc/39/58/46/402395846.db2.gz VQQQVTADFXSGJL-UHFFFAOYSA-N 1 3 300.450 2.016 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000262334889 402724574 /nfs/dbraw/zinc/72/45/74/402724574.db2.gz ZANUKXNTOANBPX-IXDOHACOSA-N 1 3 307.482 2.319 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000280548639 403011738 /nfs/dbraw/zinc/01/17/38/403011738.db2.gz IXHKGBWEMVQJLA-XIRDDKMYSA-N 1 3 318.440 2.460 20 30 DEEDHO CCN(CC)C(=[NH2+])NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000284061172 403241961 /nfs/dbraw/zinc/24/19/61/403241961.db2.gz PZJPGORIFLYYST-UHFFFAOYSA-N 1 3 318.465 2.316 20 30 DEEDHO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(C#N)CCc3ccccc3)C2)C1 ZINC000346314944 403584379 /nfs/dbraw/zinc/58/43/79/403584379.db2.gz HMWORZYGDKICFX-PKOBYXMFSA-N 1 3 311.429 2.313 20 30 DEEDHO C[N@H+]1CC[C@@]2(CCN(C(=O)C(C#N)CCc3ccccc3)C2)C1 ZINC000346314944 403584385 /nfs/dbraw/zinc/58/43/85/403584385.db2.gz HMWORZYGDKICFX-PKOBYXMFSA-N 1 3 311.429 2.313 20 30 DEEDHO CC(C#N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000347101144 403614919 /nfs/dbraw/zinc/61/49/19/403614919.db2.gz GMUYHAZRZBSBMD-GJZGRUSLSA-N 1 3 315.417 2.162 20 30 DEEDHO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@H]1N1CCN(C)CC1 ZINC000343922864 403792738 /nfs/dbraw/zinc/79/27/38/403792738.db2.gz LEYJNNIKSRXOLY-QFBILLFUSA-N 1 3 312.461 2.016 20 30 DEEDHO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H]1N1CCN(C)CC1 ZINC000343922864 403792742 /nfs/dbraw/zinc/79/27/42/403792742.db2.gz LEYJNNIKSRXOLY-QFBILLFUSA-N 1 3 312.461 2.016 20 30 DEEDHO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000343924296 403794554 /nfs/dbraw/zinc/79/45/54/403794554.db2.gz MVONHOPJXYOJNG-VQIMIIECSA-N 1 3 312.461 2.016 20 30 DEEDHO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000343924296 403794558 /nfs/dbraw/zinc/79/45/58/403794558.db2.gz MVONHOPJXYOJNG-VQIMIIECSA-N 1 3 312.461 2.016 20 30 DEEDHO C=CCN1CC[C@H](N2CCC(C[N@@H+](C)CCCC)CC2)C1=O ZINC000337129333 403967446 /nfs/dbraw/zinc/96/74/46/403967446.db2.gz IKRIIAYXKAZZHT-KRWDZBQOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCN1CC[C@H](N2CCC(C[N@H+](C)CCCC)CC2)C1=O ZINC000337129333 403967455 /nfs/dbraw/zinc/96/74/55/403967455.db2.gz IKRIIAYXKAZZHT-KRWDZBQOSA-N 1 3 307.482 2.217 20 30 DEEDHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](N)CCCC#N ZINC000424136614 405017873 /nfs/dbraw/zinc/01/78/73/405017873.db2.gz RADGFBOVDDMNML-QGZVFWFLSA-N 1 3 316.449 2.164 20 30 DEEDHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](N)CCCC#N ZINC000424136614 405017875 /nfs/dbraw/zinc/01/78/75/405017875.db2.gz RADGFBOVDDMNML-QGZVFWFLSA-N 1 3 316.449 2.164 20 30 DEEDHO N#CCCC[C@H](N)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000424140076 405020292 /nfs/dbraw/zinc/02/02/92/405020292.db2.gz AZDUBLSBOBTAFA-KRWDZBQOSA-N 1 3 314.433 2.285 20 30 DEEDHO C[C@@H](CCNC(=O)[C@@H](N)CCCC#N)[N@H+](C)Cc1ccccc1 ZINC000424155989 405025586 /nfs/dbraw/zinc/02/55/86/405025586.db2.gz OMLRALODKHCEAC-RDJZCZTQSA-N 1 3 316.449 2.034 20 30 DEEDHO C[C@@H](CCNC(=O)[C@@H](N)CCCC#N)[N@@H+](C)Cc1ccccc1 ZINC000424155989 405025588 /nfs/dbraw/zinc/02/55/88/405025588.db2.gz OMLRALODKHCEAC-RDJZCZTQSA-N 1 3 316.449 2.034 20 30 DEEDHO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCCC[C@H]3N)CC2)cc1 ZINC000424370197 405075672 /nfs/dbraw/zinc/07/56/72/405075672.db2.gz DHZOQBYAFHVVMO-RTBURBONSA-N 1 3 312.461 2.382 20 30 DEEDHO N#Cc1ccc(CN2CCC(N[C@@H]3CCCC[C@H]3[NH3+])CC2)cc1 ZINC000424370197 405075679 /nfs/dbraw/zinc/07/56/79/405075679.db2.gz DHZOQBYAFHVVMO-RTBURBONSA-N 1 3 312.461 2.382 20 30 DEEDHO CC(C)[NH+]1CCC(O)(CNCc2ccc(C#N)c(F)c2)CC1 ZINC000421368395 405476589 /nfs/dbraw/zinc/47/65/89/405476589.db2.gz UOJGCQOBBXKPCT-UHFFFAOYSA-N 1 3 305.397 2.022 20 30 DEEDHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)C(C)C#N)C2)s1 ZINC000566802044 406091067 /nfs/dbraw/zinc/09/10/67/406091067.db2.gz TUIOOTOZEXDVPI-GXTWGEPZSA-N 1 3 305.447 2.497 20 30 DEEDHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)C(C)C#N)C2)s1 ZINC000566802044 406091073 /nfs/dbraw/zinc/09/10/73/406091073.db2.gz TUIOOTOZEXDVPI-GXTWGEPZSA-N 1 3 305.447 2.497 20 30 DEEDHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422982181 230303436 /nfs/dbraw/zinc/30/34/36/230303436.db2.gz VVZNVTMFEHMFDD-KCQAQPDRSA-N 1 3 304.413 2.382 20 30 DEEDHO C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665763419 425640582 /nfs/dbraw/zinc/64/05/82/425640582.db2.gz AAQLQOITFKRMMV-DLBZAZTESA-N 1 3 324.513 2.256 20 30 DEEDHO C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665763419 425640585 /nfs/dbraw/zinc/64/05/85/425640585.db2.gz AAQLQOITFKRMMV-DLBZAZTESA-N 1 3 324.513 2.256 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)CC[C@H]1CC[NH2+]C1)C(C)C ZINC000270360936 277850143 /nfs/dbraw/zinc/85/01/43/277850143.db2.gz XOJUVQXANMMIJD-DLBZAZTESA-N 1 3 307.482 2.191 20 30 DEEDHO N#C[C@@H]1CCC[C@H](NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000248869452 341388948 /nfs/dbraw/zinc/38/89/48/341388948.db2.gz QKGUZYBZWMIHPB-UBDQQSCGSA-N 1 3 305.466 2.426 20 30 DEEDHO N#Cc1ccc(N2CCC[C@@H](NC3CC[NH2+]CC3)C2)c(F)c1 ZINC000422976699 534789290 /nfs/dbraw/zinc/78/92/90/534789290.db2.gz ISKANDGCBCARKF-OAHLLOKOSA-N 1 3 302.397 2.008 20 30 DEEDHO N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CCNCC3)C2)c(F)c1 ZINC000422976699 534789293 /nfs/dbraw/zinc/78/92/93/534789293.db2.gz ISKANDGCBCARKF-OAHLLOKOSA-N 1 3 302.397 2.008 20 30 DEEDHO C#CCN(C)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000294869028 526828115 /nfs/dbraw/zinc/82/81/15/526828115.db2.gz CONRVJMEGXCPIX-UYAOXDASSA-N 1 3 313.489 2.442 20 30 DEEDHO C#CCN1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001023696939 625392893 /nfs/dbraw/zinc/39/28/93/625392893.db2.gz YZJDZMUUZUVCHC-QZTJIDSGSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCN1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023696939 625392894 /nfs/dbraw/zinc/39/28/94/625392894.db2.gz YZJDZMUUZUVCHC-QZTJIDSGSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000970788910 623682749 /nfs/dbraw/zinc/68/27/49/623682749.db2.gz RANBCKULLJYJEJ-MRXNPFEDSA-N 1 3 301.434 2.128 20 30 DEEDHO C=CCN1CC=C(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001001370160 635480097 /nfs/dbraw/zinc/48/00/97/635480097.db2.gz HLRDZZXZFNDAOK-IRXDYDNUSA-N 1 3 305.466 2.041 20 30 DEEDHO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982296118 635953552 /nfs/dbraw/zinc/95/35/52/635953552.db2.gz JXSWVWFAXYFHCP-QRQLOZEOSA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982296118 635953556 /nfs/dbraw/zinc/95/35/56/635953556.db2.gz JXSWVWFAXYFHCP-QRQLOZEOSA-N 1 3 319.493 2.073 20 30 DEEDHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccc(C#N)s1)C2 ZINC000922386579 636151817 /nfs/dbraw/zinc/15/18/17/636151817.db2.gz GKIXFEJXKFYEBU-QBPKDAKJSA-N 1 3 319.474 2.189 20 30 DEEDHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccc(C#N)s1)C2 ZINC000922386579 636151819 /nfs/dbraw/zinc/15/18/19/636151819.db2.gz GKIXFEJXKFYEBU-QBPKDAKJSA-N 1 3 319.474 2.189 20 30 DEEDHO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)N(C)C)C[C@@]2(C)C1 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/nfs/dbraw/zinc/65/62/73/693656273.db2.gz MUEWSBXSKIZAIC-GOSISDBHSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCC)CC2)CC1 ZINC001052954312 693656276 /nfs/dbraw/zinc/65/62/76/693656276.db2.gz MUEWSBXSKIZAIC-GOSISDBHSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001402286633 1162315470 /nfs/dbraw/zinc/31/54/70/1162315470.db2.gz CWVWQOTYXAEVTK-CABCVRRESA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001402286633 1162315475 /nfs/dbraw/zinc/31/54/75/1162315475.db2.gz CWVWQOTYXAEVTK-CABCVRRESA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001402322001 1162324740 /nfs/dbraw/zinc/32/47/40/1162324740.db2.gz WBDXMZVPWOKSQM-GJZGRUSLSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001402322001 1162324744 /nfs/dbraw/zinc/32/47/44/1162324744.db2.gz WBDXMZVPWOKSQM-GJZGRUSLSA-N 1 3 313.873 2.096 20 30 DEEDHO C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC001357428313 1152297631 /nfs/dbraw/zinc/29/76/31/1152297631.db2.gz LSBAZCHHCDFJIR-CABCVRRESA-N 1 3 317.433 2.026 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001391818722 1156809617 /nfs/dbraw/zinc/80/96/17/1156809617.db2.gz GOHLWNSHGFOWSJ-KKUMJFAQSA-N 1 3 315.889 2.342 20 30 DEEDHO C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H](CC)N(C)C)CC1 ZINC001377911089 1160869027 /nfs/dbraw/zinc/86/90/27/1160869027.db2.gz ASHGFEZIHFNFMF-YMAMQOFZSA-N 1 3 315.889 2.438 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN(C)C1CCC1 ZINC001420087189 1169152860 /nfs/dbraw/zinc/15/28/60/1169152860.db2.gz MILIVWVNDDPYRM-ZFWWWQNUSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CNC[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001423013480 1173015664 /nfs/dbraw/zinc/01/56/64/1173015664.db2.gz ZEMLXFYFOOGZQY-GJZGRUSLSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(Cl)CNC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001423013480 1173015667 /nfs/dbraw/zinc/01/56/67/1173015667.db2.gz ZEMLXFYFOOGZQY-GJZGRUSLSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001444310972 1183341501 /nfs/dbraw/zinc/34/15/01/1183341501.db2.gz QOYJWGPODHVPKG-ZDUSSCGKSA-N 1 3 315.889 2.345 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001445471239 1183881576 /nfs/dbraw/zinc/88/15/76/1183881576.db2.gz URWZANDJMUSDBC-SFHVURJKSA-N 1 3 315.461 2.227 20 30 DEEDHO C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)N(C)CC ZINC001099130717 782255467 /nfs/dbraw/zinc/25/54/67/782255467.db2.gz QMVMPFMRWTZCLK-MRXNPFEDSA-N 1 3 321.509 2.347 20 30 DEEDHO C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)N(C)CC ZINC001099130717 782255469 /nfs/dbraw/zinc/25/54/69/782255469.db2.gz QMVMPFMRWTZCLK-MRXNPFEDSA-N 1 3 321.509 2.347 20 30 DEEDHO C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001099130717 782255477 /nfs/dbraw/zinc/25/54/77/782255477.db2.gz QMVMPFMRWTZCLK-MRXNPFEDSA-N 1 3 321.509 2.347 20 30 DEEDHO C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)CC ZINC001099130717 782255483 /nfs/dbraw/zinc/25/54/83/782255483.db2.gz QMVMPFMRWTZCLK-MRXNPFEDSA-N 1 3 321.509 2.347 20 30 DEEDHO C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001104938570 778266411 /nfs/dbraw/zinc/26/64/11/778266411.db2.gz VRUTVYKRNYECJZ-IAGOWNOFSA-N 1 3 309.498 2.369 20 30 DEEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)[C@H]1CC ZINC001087749640 779436956 /nfs/dbraw/zinc/43/69/56/779436956.db2.gz SRKFJWGUGCQYSM-FGTMMUONSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)[C@H]1CC ZINC001087749640 779436959 /nfs/dbraw/zinc/43/69/59/779436959.db2.gz SRKFJWGUGCQYSM-FGTMMUONSA-N 1 3 319.493 2.243 20 30 DEEDHO C=CCC[NH2+]C1CC(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001101026737 780921057 /nfs/dbraw/zinc/92/10/57/780921057.db2.gz XAYWFTYSIJVNDZ-UHFFFAOYSA-N 1 3 315.461 2.422 20 30 DEEDHO CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001089659077 783330115 /nfs/dbraw/zinc/33/01/15/783330115.db2.gz SBJOHQPVDQOINY-SJORKVTESA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001089659077 783330126 /nfs/dbraw/zinc/33/01/26/783330126.db2.gz SBJOHQPVDQOINY-SJORKVTESA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966905027 783811045 /nfs/dbraw/zinc/81/10/45/783811045.db2.gz WVCBGJRCVAHHBP-DLBZAZTESA-N 1 3 319.493 2.265 20 30 DEEDHO C=CCN1CCCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968914584 784646890 /nfs/dbraw/zinc/64/68/90/784646890.db2.gz XLMDQZABSHAEGN-KRWDZBQOSA-N 1 3 319.493 2.409 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001007327445 784889980 /nfs/dbraw/zinc/88/99/80/784889980.db2.gz NUUBVDDCMOMPRV-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001007327445 784889988 /nfs/dbraw/zinc/88/99/88/784889988.db2.gz NUUBVDDCMOMPRV-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001097718340 788195407 /nfs/dbraw/zinc/19/54/07/788195407.db2.gz GDJQGUVDJANGGR-SIRPWMCASA-N 1 3 305.466 2.014 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001097718340 788195409 /nfs/dbraw/zinc/19/54/09/788195409.db2.gz GDJQGUVDJANGGR-SIRPWMCASA-N 1 3 305.466 2.014 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C ZINC001132894061 788221024 /nfs/dbraw/zinc/22/10/24/788221024.db2.gz WMXXPJJOOZXYMT-HOTGVXAUSA-N 1 3 307.482 2.121 20 30 DEEDHO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001146584694 791309380 /nfs/dbraw/zinc/30/93/80/791309380.db2.gz UMHKARHWOLRVOH-HZPDHXFCSA-N 1 3 315.461 2.258 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001086926587 791853787 /nfs/dbraw/zinc/85/37/87/791853787.db2.gz CQCGKXGHKIMNJF-MRXNPFEDSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(CC)CC ZINC001099536271 792233190 /nfs/dbraw/zinc/23/31/90/792233190.db2.gz KVKZYJXCBOGAMG-MHORFTMASA-N 1 3 319.493 2.073 20 30 DEEDHO C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(CC)CC ZINC001099536271 792233195 /nfs/dbraw/zinc/23/31/95/792233195.db2.gz KVKZYJXCBOGAMG-MHORFTMASA-N 1 3 319.493 2.073 20 30 DEEDHO CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001101550735 793226357 /nfs/dbraw/zinc/22/63/57/793226357.db2.gz XDBYNLODLSSDTM-QGZVFWFLSA-N 1 3 321.509 2.204 20 30 DEEDHO C=CC[NH2+]CC(C)(C)C1CCN(C(=O)CN(CC)CC)CC1 ZINC001101583482 793246452 /nfs/dbraw/zinc/24/64/52/793246452.db2.gz ZYOZUDMFCUBBGP-UHFFFAOYSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC001102213447 793531697 /nfs/dbraw/zinc/53/16/97/793531697.db2.gz GNLQXOOFRPSOGJ-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC001102213447 793531704 /nfs/dbraw/zinc/53/17/04/793531704.db2.gz GNLQXOOFRPSOGJ-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366894 793587635 /nfs/dbraw/zinc/58/76/35/793587635.db2.gz UDQVAJBKWPVQHL-IXDOHACOSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366894 793587637 /nfs/dbraw/zinc/58/76/37/793587637.db2.gz UDQVAJBKWPVQHL-IXDOHACOSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)CC1)C2 ZINC001095026045 793592261 /nfs/dbraw/zinc/59/22/61/793592261.db2.gz XADGZQXOLPINQJ-KSZLIROESA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001103111772 793944924 /nfs/dbraw/zinc/94/49/24/793944924.db2.gz NVWXETJRFUAGKL-ZACQAIPSSA-N 1 3 309.498 2.223 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001103111772 793944930 /nfs/dbraw/zinc/94/49/30/793944930.db2.gz NVWXETJRFUAGKL-ZACQAIPSSA-N 1 3 309.498 2.223 20 30 DEEDHO C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001112425246 794631452 /nfs/dbraw/zinc/63/14/52/794631452.db2.gz DBTFPQSTTNPREJ-JZXOWHBKSA-N 1 3 307.482 2.121 20 30 DEEDHO CC#CC[NH2+]C1(CNC(=O)[C@H](C(C)C)N(C)C)CCCCC1 ZINC001115582293 794829144 /nfs/dbraw/zinc/82/91/44/794829144.db2.gz UNXFNDZUJHTBFD-INIZCTEOSA-N 1 3 307.482 2.005 20 30 DEEDHO CC#CC[NH2+]CCCCCCNC(=O)CN1CCC(C)(C)C1 ZINC001179592782 795139576 /nfs/dbraw/zinc/13/95/76/795139576.db2.gz OAWFMFHJBWKHEM-UHFFFAOYSA-N 1 3 307.482 2.008 20 30 DEEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+]CC(C)C)CC1 ZINC001180360630 795281888 /nfs/dbraw/zinc/28/18/88/795281888.db2.gz KVBKASCCTSTUBP-UHFFFAOYSA-N 1 3 321.509 2.254 20 30 DEEDHO C=CC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001120189399 795419901 /nfs/dbraw/zinc/41/99/01/795419901.db2.gz IYKWGIJZGVGDIH-IYBDPMFKSA-N 1 3 307.482 2.454 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001120469198 795466570 /nfs/dbraw/zinc/46/65/70/795466570.db2.gz IFLIOGZNAHNGAW-ZWKOTPCHSA-N 1 3 319.493 2.053 20 30 DEEDHO CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001120469198 795466577 /nfs/dbraw/zinc/46/65/77/795466577.db2.gz IFLIOGZNAHNGAW-ZWKOTPCHSA-N 1 3 319.493 2.053 20 30 DEEDHO C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001121302287 795614487 /nfs/dbraw/zinc/61/44/87/795614487.db2.gz VYQDPOWPXMJCAT-LMBQMVEXSA-N 1 3 307.482 2.310 20 30 DEEDHO C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001121709238 795677964 /nfs/dbraw/zinc/67/79/64/795677964.db2.gz VXKJCZCPNMKKQK-LMBQMVEXSA-N 1 3 307.482 2.166 20 30 DEEDHO C=CCCCCC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183288308 795852202 /nfs/dbraw/zinc/85/22/02/795852202.db2.gz CGKNMISXSCPDNJ-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001185535430 796286617 /nfs/dbraw/zinc/28/66/17/796286617.db2.gz DRTQTNIOZHVDFZ-HIFRSBDPSA-N 1 3 315.889 2.155 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203640462 796414927 /nfs/dbraw/zinc/41/49/27/796414927.db2.gz CDLQZJUTTHUEKI-UONOGXRCSA-N 1 3 313.873 2.098 20 30 DEEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001155612513 797806010 /nfs/dbraw/zinc/80/60/10/797806010.db2.gz XDKUMNPFSRLYBC-IAGOWNOFSA-N 1 3 307.482 2.101 20 30 DEEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001155612513 797806016 /nfs/dbraw/zinc/80/60/16/797806016.db2.gz XDKUMNPFSRLYBC-IAGOWNOFSA-N 1 3 307.482 2.101 20 30 DEEDHO CC#CCN1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001160285901 798670685 /nfs/dbraw/zinc/67/06/85/798670685.db2.gz KRLLCWIGYLUFGO-SFHVURJKSA-N 1 3 317.477 2.023 20 30 DEEDHO CC#CCN1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001160285901 798670687 /nfs/dbraw/zinc/67/06/87/798670687.db2.gz KRLLCWIGYLUFGO-SFHVURJKSA-N 1 3 317.477 2.023 20 30 DEEDHO C=CC[N@H+]1CC=C(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001161220184 798812595 /nfs/dbraw/zinc/81/25/95/798812595.db2.gz XZVNVNUPYBQQPM-UHFFFAOYSA-N 1 3 305.466 2.043 20 30 DEEDHO C=CC[N@@H+]1CC=C(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001161220184 798812596 /nfs/dbraw/zinc/81/25/96/798812596.db2.gz XZVNVNUPYBQQPM-UHFFFAOYSA-N 1 3 305.466 2.043 20 30 DEEDHO C=C(Cl)CNCCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001163297003 799303208 /nfs/dbraw/zinc/30/32/08/799303208.db2.gz ANAUSRFIBWLUPI-UHFFFAOYSA-N 1 3 301.862 2.099 20 30 DEEDHO C=C(Cl)CNCC1(CCNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001165809918 799777782 /nfs/dbraw/zinc/77/77/82/799777782.db2.gz TXLVEYQZHMOZKE-UHFFFAOYSA-N 1 3 315.889 2.345 20 30 DEEDHO C=C(Cl)CNCC1(CCNC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001165809918 799777788 /nfs/dbraw/zinc/77/77/88/799777788.db2.gz TXLVEYQZHMOZKE-UHFFFAOYSA-N 1 3 315.889 2.345 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203524055 800069148 /nfs/dbraw/zinc/06/91/48/800069148.db2.gz SXQAHYJFKVOJPU-HZPDHXFCSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203659846 800101732 /nfs/dbraw/zinc/10/17/32/800101732.db2.gz MKXNQYRWXHDQJH-HZPDHXFCSA-N 1 3 316.449 2.244 20 30 DEEDHO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230610461 801435531 /nfs/dbraw/zinc/43/55/31/801435531.db2.gz BNTNZCDEWAMWOY-GOSISDBHSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230610461 801435534 /nfs/dbraw/zinc/43/55/34/801435534.db2.gz BNTNZCDEWAMWOY-GOSISDBHSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCCCCCCCC[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222521574 802700263 /nfs/dbraw/zinc/70/02/63/802700263.db2.gz WJGILXZSCOGVBW-LJQANCHMSA-N 1 3 319.493 2.315 20 30 DEEDHO C=CCCCCCCCC[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222521574 802700265 /nfs/dbraw/zinc/70/02/65/802700265.db2.gz WJGILXZSCOGVBW-LJQANCHMSA-N 1 3 319.493 2.315 20 30 DEEDHO C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)N(CC)CC)C[C@@H]21 ZINC001223489274 802795180 /nfs/dbraw/zinc/79/51/80/802795180.db2.gz LPVGJSXOPQAINX-KURKYZTESA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)N(CC)CC)C[C@@H]21 ZINC001223489274 802795184 /nfs/dbraw/zinc/79/51/84/802795184.db2.gz LPVGJSXOPQAINX-KURKYZTESA-N 1 3 319.493 2.053 20 30 DEEDHO C=C(C)CC[NH+]1CCC(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001224559035 802881776 /nfs/dbraw/zinc/88/17/76/802881776.db2.gz LUNSRHBXDGSWRA-MRXNPFEDSA-N 1 3 307.482 2.123 20 30 DEEDHO C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001420122583 1169175818 /nfs/dbraw/zinc/17/58/18/1169175818.db2.gz IRRKTJAIZFZFDX-CABCVRRESA-N 1 3 315.889 2.345 20 30 DEEDHO C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001420122583 1169175833 /nfs/dbraw/zinc/17/58/33/1169175833.db2.gz IRRKTJAIZFZFDX-CABCVRRESA-N 1 3 315.889 2.345 20 30 DEEDHO C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001368335766 1148417346 /nfs/dbraw/zinc/41/73/46/1148417346.db2.gz JDLQDSKBMYKAQT-KGLIPLIRSA-N 1 3 313.873 2.050 20 30 DEEDHO C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001500381766 1058738916 /nfs/dbraw/zinc/73/89/16/1058738916.db2.gz DQLSTWOPSXSXQE-PKOBYXMFSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CC[NH2+]C[C@H](CCCC)NC(=O)C(C)(C)N1CCCCC1 ZINC001506546867 1062111622 /nfs/dbraw/zinc/11/16/22/1062111622.db2.gz ZOVKCUGXLWBOOJ-INIZCTEOSA-N 1 3 307.482 2.149 20 30 DEEDHO CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001507027626 1062692507 /nfs/dbraw/zinc/69/25/07/1062692507.db2.gz RKLOFCOTRZSCPZ-ZWKOTPCHSA-N 1 3 319.493 2.099 20 30 DEEDHO C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001493817391 1063974875 /nfs/dbraw/zinc/97/48/75/1063974875.db2.gz BCKAJIUJYDKSPF-WBVHZDCISA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]21 ZINC001568514916 1064929171 /nfs/dbraw/zinc/92/91/71/1064929171.db2.gz DNAMSTKLWUAAMU-SJORKVTESA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]21 ZINC001568514916 1064929179 /nfs/dbraw/zinc/92/91/79/1064929179.db2.gz DNAMSTKLWUAAMU-SJORKVTESA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[NH+]1CC2(C1)CCN(C(=O)CN(C)CC(C)(C)C)CC2 ZINC001495978298 1065203853 /nfs/dbraw/zinc/20/38/53/1065203853.db2.gz LPMNQDKSUCXXBU-UHFFFAOYSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001569436664 1065507884 /nfs/dbraw/zinc/50/78/84/1065507884.db2.gz KKYFRHBPPYFZAI-SFHVURJKSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001569436664 1065507891 /nfs/dbraw/zinc/50/78/91/1065507891.db2.gz KKYFRHBPPYFZAI-SFHVURJKSA-N 1 3 321.509 2.465 20 30 DEEDHO CC#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001569452696 1065517782 /nfs/dbraw/zinc/51/77/82/1065517782.db2.gz XTNNBMOUWYJYBJ-GOSISDBHSA-N 1 3 319.493 2.053 20 30 DEEDHO CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001569452696 1065517792 /nfs/dbraw/zinc/51/77/92/1065517792.db2.gz XTNNBMOUWYJYBJ-GOSISDBHSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CC[NH+]1CCC2(CN(C(=O)CN(C)CCCCCC)C2)CC1 ZINC001570056458 1065904900 /nfs/dbraw/zinc/90/49/00/1065904900.db2.gz QLMSHPKVPVXSKU-UHFFFAOYSA-N 1 3 319.493 2.056 20 30 DEEDHO CC#CCNC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001570090967 1065920444 /nfs/dbraw/zinc/92/04/44/1065920444.db2.gz LCNDHNHYKDRLLY-QZTJIDSGSA-N 1 3 319.493 2.245 20 30 DEEDHO CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C)N1CCCCCC1 ZINC001570090967 1065920451 /nfs/dbraw/zinc/92/04/51/1065920451.db2.gz LCNDHNHYKDRLLY-QZTJIDSGSA-N 1 3 319.493 2.245 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001498379670 1066667519 /nfs/dbraw/zinc/66/75/19/1066667519.db2.gz ATILBOQXRLMNAB-YOEHRIQHSA-N 1 3 313.461 2.212 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001498379670 1066667523 /nfs/dbraw/zinc/66/75/23/1066667523.db2.gz ATILBOQXRLMNAB-YOEHRIQHSA-N 1 3 313.461 2.212 20 30 DEEDHO C=C(C)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)N2CCCCC2)CC1 ZINC001499458525 1067227721 /nfs/dbraw/zinc/22/77/21/1067227721.db2.gz HGHRLOIAOGUGQC-MRXNPFEDSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001570682806 1068066385 /nfs/dbraw/zinc/06/63/85/1068066385.db2.gz DRLXPIUTRHIWRI-MRXNPFEDSA-N 1 3 309.498 2.369 20 30 DEEDHO CC#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001483800908 1079129036 /nfs/dbraw/zinc/12/90/36/1079129036.db2.gz FDXRHJNKDABBBF-ROUUACIJSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001483800908 1079129037 /nfs/dbraw/zinc/12/90/37/1079129037.db2.gz FDXRHJNKDABBBF-ROUUACIJSA-N 1 3 319.493 2.055 20 30 DEEDHO C=C(C)CC[N@@H+](C)CC1CCN(C(=O)CN(C)CCC)CC1 ZINC001267604076 1079172405 /nfs/dbraw/zinc/17/24/05/1079172405.db2.gz JAFKPECXMNVMGB-UHFFFAOYSA-N 1 3 309.498 2.465 20 30 DEEDHO C=C(C)CC[N@H+](C)CC1CCN(C(=O)CN(C)CCC)CC1 ZINC001267604076 1079172406 /nfs/dbraw/zinc/17/24/06/1079172406.db2.gz JAFKPECXMNVMGB-UHFFFAOYSA-N 1 3 309.498 2.465 20 30 DEEDHO CC[C@H](C[NH+]1CCCC1)NCCC(=O)Nc1cccc(C#N)c1 ZINC001649844059 1079259372 /nfs/dbraw/zinc/25/93/72/1079259372.db2.gz UAZKLQIXVYBCAM-MRXNPFEDSA-N 1 3 314.433 2.351 20 30 DEEDHO C=C(C)CN(CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CC1 ZINC001481174570 1079291653 /nfs/dbraw/zinc/29/16/53/1079291653.db2.gz RGAQNJLCSIOGDX-DLBZAZTESA-N 1 3 305.466 2.160 20 30 DEEDHO C=C(C)CN(CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CC1 ZINC001481174570 1079291656 /nfs/dbraw/zinc/29/16/56/1079291656.db2.gz RGAQNJLCSIOGDX-DLBZAZTESA-N 1 3 305.466 2.160 20 30 DEEDHO C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001484160432 1079334463 /nfs/dbraw/zinc/33/44/63/1079334463.db2.gz FXIHHYQZQFRFQA-WMZOPIPTSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001484160432 1079334468 /nfs/dbraw/zinc/33/44/68/1079334468.db2.gz FXIHHYQZQFRFQA-WMZOPIPTSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001267683644 1079371935 /nfs/dbraw/zinc/37/19/35/1079371935.db2.gz SHCZTCSTLRLCOX-WBVHZDCISA-N 1 3 307.482 2.264 20 30 DEEDHO CCCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001567116304 1075435610 /nfs/dbraw/zinc/43/56/10/1075435610.db2.gz MXXJZEKXHPQUIT-SJORKVTESA-N 1 3 309.498 2.489 20 30 DEEDHO C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001484339103 1079549313 /nfs/dbraw/zinc/54/93/13/1079549313.db2.gz STMRKCXKDWWDGG-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001268084447 1080040190 /nfs/dbraw/zinc/04/01/90/1080040190.db2.gz FVNSMNBMIZZDFQ-RHSMWYFYSA-N 1 3 313.461 2.212 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001656833429 1080127783 /nfs/dbraw/zinc/12/77/83/1080127783.db2.gz QILLOAGGRNYTCC-SJORKVTESA-N 1 3 321.509 2.321 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001656833429 1080127785 /nfs/dbraw/zinc/12/77/85/1080127785.db2.gz QILLOAGGRNYTCC-SJORKVTESA-N 1 3 321.509 2.321 20 30 DEEDHO CC#CCNC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001661950292 1080548847 /nfs/dbraw/zinc/54/88/47/1080548847.db2.gz LCNDHNHYKDRLLY-ROUUACIJSA-N 1 3 319.493 2.245 20 30 DEEDHO CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C)N1CCCCCC1 ZINC001661950292 1080548853 /nfs/dbraw/zinc/54/88/53/1080548853.db2.gz LCNDHNHYKDRLLY-ROUUACIJSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001482010765 1080686399 /nfs/dbraw/zinc/68/63/99/1080686399.db2.gz VXIFKUSLTLSZBQ-GOSISDBHSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CC[NH2+]CC1(NC(=O)[C@@H](C)N2CCCCCC2)CCCC1 ZINC001665951140 1081102005 /nfs/dbraw/zinc/10/20/05/1081102005.db2.gz DLZNEAKFBBYFIJ-QGZVFWFLSA-N 1 3 319.493 2.293 20 30 DEEDHO C=CCC[NH2+]C[C@]1(NC(=O)Cc2nc[nH]c2C)CCCC[C@@H]1C ZINC001666069315 1081119273 /nfs/dbraw/zinc/11/92/73/1081119273.db2.gz SLZASJBFLQMHJS-KBXCAEBGSA-N 1 3 318.465 2.491 20 30 DEEDHO C=CCCCN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001269254642 1081185575 /nfs/dbraw/zinc/18/55/75/1081185575.db2.gz CWXKENOJPACXRX-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCCN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001269254642 1081185576 /nfs/dbraw/zinc/18/55/76/1081185576.db2.gz CWXKENOJPACXRX-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CCCC1 ZINC001482219508 1081251749 /nfs/dbraw/zinc/25/17/49/1081251749.db2.gz KLKRENPODUIKON-INIZCTEOSA-N 1 3 307.482 2.454 20 30 DEEDHO C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCN1CCC)C1CCCC1 ZINC001671536215 1081521943 /nfs/dbraw/zinc/52/19/43/1081521943.db2.gz MGMGYUFPVUFWJO-ZWKOTPCHSA-N 1 3 319.493 2.149 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001271673541 1082105179 /nfs/dbraw/zinc/10/51/79/1082105179.db2.gz IPZYBVAJMWBLFH-JKSUJKDBSA-N 1 3 309.498 2.225 20 30 DEEDHO C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001482495845 1082121034 /nfs/dbraw/zinc/12/10/34/1082121034.db2.gz SWHLRFKYIVKTST-IRXDYDNUSA-N 1 3 321.509 2.204 20 30 DEEDHO C=CC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107438462 1083395609 /nfs/dbraw/zinc/39/56/09/1083395609.db2.gz BCDSYKDVUOMFBQ-SJLPKXTDSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CC[N@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107438462 1083395619 /nfs/dbraw/zinc/39/56/19/1083395619.db2.gz BCDSYKDVUOMFBQ-SJLPKXTDSA-N 1 3 305.466 2.018 20 30 DEEDHO C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C1CC1 ZINC001276672481 1083542933 /nfs/dbraw/zinc/54/29/33/1083542933.db2.gz IQRSQZDQSOLJIJ-WBVHZDCISA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(CC)CC ZINC001114998368 1083694542 /nfs/dbraw/zinc/69/45/42/1083694542.db2.gz QOFJUUPHFCPDOE-VQFNDLOPSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(CC)CC ZINC001114998368 1083694545 /nfs/dbraw/zinc/69/45/45/1083694545.db2.gz QOFJUUPHFCPDOE-VQFNDLOPSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001670919468 1084142965 /nfs/dbraw/zinc/14/29/65/1084142965.db2.gz ULYGGTPCLBFJPM-QGZVFWFLSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001670919468 1084142971 /nfs/dbraw/zinc/14/29/71/1084142971.db2.gz ULYGGTPCLBFJPM-QGZVFWFLSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001235007887 1084270262 /nfs/dbraw/zinc/27/02/62/1084270262.db2.gz RWGWPIGMVLYMQX-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001235007887 1084270275 /nfs/dbraw/zinc/27/02/75/1084270275.db2.gz RWGWPIGMVLYMQX-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCN1CCC ZINC001235007887 1084270288 /nfs/dbraw/zinc/27/02/88/1084270288.db2.gz RWGWPIGMVLYMQX-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCN1CCC ZINC001235007887 1084270302 /nfs/dbraw/zinc/27/03/02/1084270302.db2.gz RWGWPIGMVLYMQX-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCN(CCN1CCC([C@@H]2CCCC[NH2+]2)CC1)C(=O)OCC ZINC001235232036 1084353052 /nfs/dbraw/zinc/35/30/52/1084353052.db2.gz GONMYRNOJICUOY-KRWDZBQOSA-N 1 3 323.481 2.485 20 30 DEEDHO C=CCN1CC[C@]2(NC(=O)[C@H](CC)[NH+](CC)CC)CCC[C@H]12 ZINC001486146253 1085090738 /nfs/dbraw/zinc/09/07/38/1085090738.db2.gz MKQNYRVMWQLEQO-XYJFISCASA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963366079 1086429007 /nfs/dbraw/zinc/42/90/07/1086429007.db2.gz JEEWSJYUBOVHFO-RDJZCZTQSA-N 1 3 316.449 2.231 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963366079 1086429014 /nfs/dbraw/zinc/42/90/14/1086429014.db2.gz JEEWSJYUBOVHFO-RDJZCZTQSA-N 1 3 316.449 2.231 20 30 DEEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001079848536 1088471553 /nfs/dbraw/zinc/47/15/53/1088471553.db2.gz ATRXTQRQUVIKFG-BRWVUGGUSA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079848536 1088471562 /nfs/dbraw/zinc/47/15/62/1088471562.db2.gz ATRXTQRQUVIKFG-BRWVUGGUSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC001079850190 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/nfs/dbraw/zinc/41/45/74/1092414574.db2.gz APSJHJKYJTWJFY-KDURUIRLSA-N 1 3 324.472 2.454 20 30 DEEDHO C=CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001488993086 1092871991 /nfs/dbraw/zinc/87/19/91/1092871991.db2.gz VXVXOPSTKMTYJP-RDJZCZTQSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCCN1CC ZINC001319133125 1140510615 /nfs/dbraw/zinc/51/06/15/1140510615.db2.gz ZTTZSJIJTAGIOV-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCC[NH2+]C[C@@H](NC(=O)[C@@H](CC)N(C)C)C1CCCCC1 ZINC001319654144 1140643684 /nfs/dbraw/zinc/64/36/84/1140643684.db2.gz CQLTYAHDHSFUEB-IAGOWNOFSA-N 1 3 307.482 2.005 20 30 DEEDHO C=CCOC(=O)N1CCC[C@]2(CCN([C@@H]3CC[NH2+][C@H](C)C3)C2)C1 ZINC001246550197 1140953272 /nfs/dbraw/zinc/95/32/72/1140953272.db2.gz MGRMNWHIRBEMGG-JFIYKMOQSA-N 1 3 321.465 2.237 20 30 DEEDHO C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001323860712 1141894382 /nfs/dbraw/zinc/89/43/82/1141894382.db2.gz UNNDZHWOWJOUIK-HKUYNNGSSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001323860712 1141894383 /nfs/dbraw/zinc/89/43/83/1141894383.db2.gz UNNDZHWOWJOUIK-HKUYNNGSSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001278550618 1142078015 /nfs/dbraw/zinc/07/80/15/1142078015.db2.gz VTMQOKMEAOGMEL-AEFFLSMTSA-N 1 3 309.498 2.367 20 30 DEEDHO CN1CCN(Cc2ccccc2C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC001254635630 1143292477 /nfs/dbraw/zinc/29/24/77/1143292477.db2.gz HFZCWYBDOKLHLS-LPHOPBHVSA-N 1 3 312.461 2.216 20 30 DEEDHO C=CCCC[C@H](N)C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001342082146 1143784228 /nfs/dbraw/zinc/78/42/28/1143784228.db2.gz UEYXNEBDCPIPSC-KRWDZBQOSA-N 1 3 315.461 2.189 20 30 DEEDHO C#CCC[NH+]1CCC(NC[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC001262567703 1144319786 /nfs/dbraw/zinc/31/97/86/1144319786.db2.gz ASJPUBBPMQLSDX-QGZVFWFLSA-N 1 3 308.372 2.076 20 30 DEEDHO C=CCN1CCC(NC(=O)N[C@@H](C)CC[NH+](CC)CC)CC1 ZINC001263298449 1144366986 /nfs/dbraw/zinc/36/69/86/1144366986.db2.gz WYPWPBCHSACOBX-HNNXBMFYSA-N 1 3 310.486 2.056 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001264090745 1144461926 /nfs/dbraw/zinc/46/19/26/1144461926.db2.gz BSQJJGZDFJHSPU-SQNIBIBYSA-N 1 3 321.509 2.319 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001264090745 1144461937 /nfs/dbraw/zinc/46/19/37/1144461937.db2.gz BSQJJGZDFJHSPU-SQNIBIBYSA-N 1 3 321.509 2.319 20 30 DEEDHO C#CCN1CC[C@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001264755369 1144607562 /nfs/dbraw/zinc/60/75/62/1144607562.db2.gz OMXXYXYPVJZHPS-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001265217517 1144669491 /nfs/dbraw/zinc/66/94/91/1144669491.db2.gz XUOMHIWIWDUHND-CVEARBPZSA-N 1 3 313.461 2.213 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001265217517 1144669494 /nfs/dbraw/zinc/66/94/94/1144669494.db2.gz XUOMHIWIWDUHND-CVEARBPZSA-N 1 3 313.461 2.213 20 30 DEEDHO C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001265396699 1144702063 /nfs/dbraw/zinc/70/20/63/1144702063.db2.gz JRZYRDUBQSSIEF-QGZVFWFLSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001265396699 1144702064 /nfs/dbraw/zinc/70/20/64/1144702064.db2.gz JRZYRDUBQSSIEF-QGZVFWFLSA-N 1 3 307.482 2.075 20 30 DEEDHO CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001266068943 1144802409 /nfs/dbraw/zinc/80/24/09/1144802409.db2.gz RWLSBINIAIYKME-HZPDHXFCSA-N 1 3 307.482 2.005 20 30 DEEDHO CC#CCN1C[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001279624395 1144826391 /nfs/dbraw/zinc/82/63/91/1144826391.db2.gz JGBIXNBPJNEYSU-OKZBNKHCSA-N 1 3 319.493 2.053 20 30 DEEDHO C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001280308902 1144835309 /nfs/dbraw/zinc/83/53/09/1144835309.db2.gz WNHBTVHYWUWQET-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001282959589 1145213831 /nfs/dbraw/zinc/21/38/31/1145213831.db2.gz VOFTVHOBWCIRJD-GVDBMIGSSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001282959589 1145213837 /nfs/dbraw/zinc/21/38/37/1145213837.db2.gz VOFTVHOBWCIRJD-GVDBMIGSSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001283557118 1145518030 /nfs/dbraw/zinc/51/80/30/1145518030.db2.gz OOGJKPQZGPPTCE-GOSISDBHSA-N 1 3 315.461 2.374 20 30 DEEDHO C#CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001316680193 1147300053 /nfs/dbraw/zinc/30/00/53/1147300053.db2.gz PTDXXNFXQNODTJ-AEFFLSMTSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCOc1cccc(C[NH2+]C[C@H](C)N2CCN(CC)CC2)c1 ZINC001308198964 1147454405 /nfs/dbraw/zinc/45/44/05/1147454405.db2.gz FXGRRXRHZRXOBN-KRWDZBQOSA-N 1 3 317.477 2.367 20 30 DEEDHO C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001317313110 1147689485 /nfs/dbraw/zinc/68/94/85/1147689485.db2.gz NPSJKUBPFFUAPT-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001317852830 1147757766 /nfs/dbraw/zinc/75/77/66/1147757766.db2.gz INRAPQLFXRALPG-IRXDYDNUSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001317852830 1147757768 /nfs/dbraw/zinc/75/77/68/1147757768.db2.gz INRAPQLFXRALPG-IRXDYDNUSA-N 1 3 307.482 2.075 20 30 DEEDHO CC#CCN1CCC[C@@](C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001324943145 1147860723 /nfs/dbraw/zinc/86/07/23/1147860723.db2.gz DPTHFBPGAARGAH-MJGOQNOKSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CCN1CCC[C@@](C)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001324943145 1147860725 /nfs/dbraw/zinc/86/07/25/1147860725.db2.gz DPTHFBPGAARGAH-MJGOQNOKSA-N 1 3 319.493 2.102 20 30 DEEDHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000442713326 529774386 /nfs/dbraw/zinc/77/43/86/529774386.db2.gz ISVBNYVSLXWVOP-MOPGFXCFSA-N 1 3 312.461 2.216 20 30 DEEDHO C=CCN1CCC(NC(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000080674708 192180488 /nfs/dbraw/zinc/18/04/88/192180488.db2.gz HZIQCOZVZMMKRN-UHFFFAOYSA-N 1 3 324.513 2.445 20 30 DEEDHO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3CN)C2)c(F)c1 ZINC000581720265 357236406 /nfs/dbraw/zinc/23/64/06/357236406.db2.gz BXYPZRAFULQTJB-YQQAZPJKSA-N 1 3 316.424 2.383 20 30 DEEDHO N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCC[C@H]3C[NH3+])C2)c(F)c1 ZINC000581720265 357236407 /nfs/dbraw/zinc/23/64/07/357236407.db2.gz BXYPZRAFULQTJB-YQQAZPJKSA-N 1 3 316.424 2.383 20 30 DEEDHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(F)c(C#N)c1 ZINC000180931692 199229643 /nfs/dbraw/zinc/22/96/43/199229643.db2.gz HDXXCXNVXXWVKG-UHFFFAOYSA-N 1 3 318.440 2.155 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000106333580 194198592 /nfs/dbraw/zinc/19/85/92/194198592.db2.gz HYGCSIGCPRYGMU-MRXNPFEDSA-N 1 3 322.497 2.058 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000236687869 402374661 /nfs/dbraw/zinc/37/46/61/402374661.db2.gz ZANUKXNTOANBPX-GVDBMIGSSA-N 1 3 307.482 2.319 20 30 DEEDHO C=CCN1CCC(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000171723078 402615010 /nfs/dbraw/zinc/61/50/10/402615010.db2.gz RASMFLQOEFRPFQ-HZPDHXFCSA-N 1 3 322.497 2.056 20 30 DEEDHO C=CCN1CCC(NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000171723078 402615011 /nfs/dbraw/zinc/61/50/11/402615011.db2.gz RASMFLQOEFRPFQ-HZPDHXFCSA-N 1 3 322.497 2.056 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCC[N@@H+](CC)CCC)CC1 ZINC000175474493 402809526 /nfs/dbraw/zinc/80/95/26/402809526.db2.gz PLDRMBDWEMZIQQ-UHFFFAOYSA-N 1 3 310.486 2.058 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCC[N@H+](CC)CCC)CC1 ZINC000175474493 402809527 /nfs/dbraw/zinc/80/95/27/402809527.db2.gz PLDRMBDWEMZIQQ-UHFFFAOYSA-N 1 3 310.486 2.058 20 30 DEEDHO CC(C)[NH+]1CCC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280582358 403015797 /nfs/dbraw/zinc/01/57/97/403015797.db2.gz DGLYWVZDFWZQEC-QGZVFWFLSA-N 1 3 324.428 2.230 20 30 DEEDHO CN(CCC[NH+]1CCCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281662431 403079581 /nfs/dbraw/zinc/07/95/81/403079581.db2.gz JAPPSKZZSGMHLG-GOSISDBHSA-N 1 3 324.428 2.185 20 30 DEEDHO N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000424129989 405016873 /nfs/dbraw/zinc/01/68/73/405016873.db2.gz DUVORUMPKNOXNH-KGLIPLIRSA-N 1 3 320.462 2.022 20 30 DEEDHO C=CCc1ccccc1OC[C@H](O)CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000569803959 406304699 /nfs/dbraw/zinc/30/46/99/406304699.db2.gz GTCPLBAIUWYVEC-CGTJXYLNSA-N 1 3 318.461 2.227 20 30 DEEDHO C=CCc1ccccc1OC[C@H](O)CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000569803959 406304703 /nfs/dbraw/zinc/30/47/03/406304703.db2.gz GTCPLBAIUWYVEC-CGTJXYLNSA-N 1 3 318.461 2.227 20 30 DEEDHO C=CCN1CCC(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000571535635 406534113 /nfs/dbraw/zinc/53/41/13/406534113.db2.gz QRPSUTWIQLYUIF-UHFFFAOYSA-N 1 3 315.461 2.171 20 30 DEEDHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422982179 230302903 /nfs/dbraw/zinc/30/29/03/230302903.db2.gz VVZNVTMFEHMFDD-GUTXKFCHSA-N 1 3 304.413 2.382 20 30 DEEDHO C=CC[C@@H]1CC[C@@H]([NH2+]CC(=O)NCCN2CCCCCC2)C1 ZINC000651816078 425148357 /nfs/dbraw/zinc/14/83/57/425148357.db2.gz ATTOKJMOIISCGZ-IAGOWNOFSA-N 1 3 307.482 2.313 20 30 DEEDHO CC1(C)CC([NH+]=C([O-])N[C@H]2CCn3ccnc3C2)CC(C)(C)[NH2+]1 ZINC000330172209 278189296 /nfs/dbraw/zinc/18/92/96/278189296.db2.gz GFDZDHXJCIZEIG-LBPRGKRZSA-N 1 3 319.453 2.011 20 30 DEEDHO COc1ccc(NC(=[NH2+])NCCN2CCC[C@@H](C)C2)cc1OC ZINC000264100083 533988098 /nfs/dbraw/zinc/98/80/98/533988098.db2.gz NVOSUSLDQKWYDR-CYBMUJFWSA-N 1 3 320.437 2.162 20 30 DEEDHO C[NH+]=C(NCc1nc(C)cs1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262500405 526390550 /nfs/dbraw/zinc/39/05/50/526390550.db2.gz YDMBZJSXUAYMIW-CQSZACIVSA-N 1 3 321.494 2.087 20 30 DEEDHO C=CCN1CC[C@@H](N2CCC(CCC[NH+]3CCCC3)CC2)C1=O ZINC000337171108 526476360 /nfs/dbraw/zinc/47/63/60/526476360.db2.gz DLFIGWPUPGTCQK-GOSISDBHSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000340123914 527650219 /nfs/dbraw/zinc/65/02/19/527650219.db2.gz ZNNACLBCAJSSDM-IXDOHACOSA-N 1 3 307.482 2.176 20 30 DEEDHO C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001327528613 1148579797 /nfs/dbraw/zinc/57/97/97/1148579797.db2.gz BOVKDVINOIJAPU-PKOBYXMFSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC000947310601 625436661 /nfs/dbraw/zinc/43/66/61/625436661.db2.gz UOHGOJIOFDWBJM-HZPDHXFCSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC000947310601 625436664 /nfs/dbraw/zinc/43/66/64/625436664.db2.gz UOHGOJIOFDWBJM-HZPDHXFCSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021090909 623336385 /nfs/dbraw/zinc/33/63/85/623336385.db2.gz NSGRZSVPRVWWOB-WKILWMFISA-N 1 3 321.852 2.351 20 30 DEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000970712646 623635864 /nfs/dbraw/zinc/63/58/64/623635864.db2.gz AGQYDZUUQDIKFC-OAHLLOKOSA-N 1 3 319.493 2.121 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000891520123 624467174 /nfs/dbraw/zinc/46/71/74/624467174.db2.gz DROOUPVMQPJAPV-MRXNPFEDSA-N 1 3 322.497 2.104 20 30 DEEDHO C=CC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC1(C)C ZINC000996663444 633338620 /nfs/dbraw/zinc/33/86/20/633338620.db2.gz OQEOYRRHBKJFIV-QGZVFWFLSA-N 1 3 315.461 2.374 20 30 DEEDHO C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980144762 634861668 /nfs/dbraw/zinc/86/16/68/634861668.db2.gz BNEOYZGNCDMGPP-BBWFWOEESA-N 1 3 319.493 2.264 20 30 DEEDHO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980144762 634861671 /nfs/dbraw/zinc/86/16/71/634861671.db2.gz BNEOYZGNCDMGPP-BBWFWOEESA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001027919016 634966082 /nfs/dbraw/zinc/96/60/82/634966082.db2.gz SFAOGQAXQRMTOR-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001027919016 634966084 /nfs/dbraw/zinc/96/60/84/634966084.db2.gz SFAOGQAXQRMTOR-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCC3)C[C@@]2(C)C1 ZINC000982430377 636020634 /nfs/dbraw/zinc/02/06/34/636020634.db2.gz YILXTHNLNOZJRY-KDURUIRLSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCC3)C[C@@]2(C)C1 ZINC000982430377 636020635 /nfs/dbraw/zinc/02/06/35/636020635.db2.gz YILXTHNLNOZJRY-KDURUIRLSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001028579550 636371657 /nfs/dbraw/zinc/37/16/57/636371657.db2.gz GVXBKDKFHHTEJT-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001028579550 636371663 /nfs/dbraw/zinc/37/16/63/636371663.db2.gz GVXBKDKFHHTEJT-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000989825581 641248280 /nfs/dbraw/zinc/24/82/80/641248280.db2.gz HRXBSGFHDXJMAX-YOEHRIQHSA-N 1 3 301.434 2.127 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000901233437 642601412 /nfs/dbraw/zinc/60/14/12/642601412.db2.gz LYKUPKIBLFSJAT-IRXDYDNUSA-N 1 3 301.434 2.056 20 30 DEEDHO C=CCN(Cc1ccc(OC)cc1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722524 643438956 /nfs/dbraw/zinc/43/89/56/643438956.db2.gz MAFQYMPBIMMYMY-RTBURBONSA-N 1 3 316.445 2.452 20 30 DEEDHO C=CCN1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CCC[C@H]12 ZINC000991044938 643621660 /nfs/dbraw/zinc/62/16/60/643621660.db2.gz SENJBIKSXWOVBZ-JENIJYKNSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCN1CC[C@]2(NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)CCC[C@H]12 ZINC000991044938 643621665 /nfs/dbraw/zinc/62/16/65/643621665.db2.gz SENJBIKSXWOVBZ-JENIJYKNSA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000908230550 644788545 /nfs/dbraw/zinc/78/85/45/644788545.db2.gz PCCKNMIOFWIHMD-FUHWJXTLSA-N 1 3 315.461 2.274 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000819335600 647638695 /nfs/dbraw/zinc/63/86/95/647638695.db2.gz MJIBRJCUCJYPPR-MRXNPFEDSA-N 1 3 321.490 2.245 20 30 DEEDHO CC#CCN1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940943284 648975000 /nfs/dbraw/zinc/97/50/00/648975000.db2.gz KRWSYWCPKYYNFD-MRXNPFEDSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940980855 648978719 /nfs/dbraw/zinc/97/87/19/648978719.db2.gz ZVLQGJXYGZKYMF-JYJNAYRXSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940980855 648978724 /nfs/dbraw/zinc/97/87/24/648978724.db2.gz ZVLQGJXYGZKYMF-JYJNAYRXSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC000942052288 649142843 /nfs/dbraw/zinc/14/28/43/649142843.db2.gz DVUNPHUYXSRTSV-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC000942052288 649142844 /nfs/dbraw/zinc/14/28/44/649142844.db2.gz DVUNPHUYXSRTSV-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCOc1ccccc1C ZINC000304750470 685258841 /nfs/dbraw/zinc/25/88/41/685258841.db2.gz ILVBQWVKCFBIPT-MRXNPFEDSA-N 1 3 318.465 2.153 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)c1ccc(C)cc1 ZINC000304750106 685258931 /nfs/dbraw/zinc/25/89/31/685258931.db2.gz IDWMBZIENFTLPO-NVXWUHKLSA-N 1 3 302.466 2.487 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000193302328 685037057 /nfs/dbraw/zinc/03/70/57/685037057.db2.gz LBLCXPCJDHFCNO-OWCLPIDISA-N 1 3 304.413 2.070 20 30 DEEDHO C[C@H](CNC(=[NH2+])NCCc1ccccc1)N1CCC[C@@H](C)C1 ZINC000303880304 685237581 /nfs/dbraw/zinc/23/75/81/685237581.db2.gz HCJZYORYYZUHIW-HZPDHXFCSA-N 1 3 302.466 2.254 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccccc2C)CC1 ZINC000303982547 685242440 /nfs/dbraw/zinc/24/24/40/685242440.db2.gz QHJYIZACXLJALC-MRXNPFEDSA-N 1 3 314.477 2.415 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000784 688548271 /nfs/dbraw/zinc/54/82/71/688548271.db2.gz JMQNXIYTDMEUBZ-MRXNPFEDSA-N 1 3 315.461 2.376 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000784 688548272 /nfs/dbraw/zinc/54/82/72/688548272.db2.gz JMQNXIYTDMEUBZ-MRXNPFEDSA-N 1 3 315.461 2.376 20 30 DEEDHO C=CCNC(=O)[C@H](C)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872155967 688940190 /nfs/dbraw/zinc/94/01/90/688940190.db2.gz BPKKXIQWZKDNHG-YQQAZPJKSA-N 1 3 307.482 2.297 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN2CCC)C1 ZINC001033125432 689398102 /nfs/dbraw/zinc/39/81/02/689398102.db2.gz DSBPMUADQVQTRN-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN2CCC)C1 ZINC001033125432 689398105 /nfs/dbraw/zinc/39/81/05/689398105.db2.gz DSBPMUADQVQTRN-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C#CCCN1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034285372 689795321 /nfs/dbraw/zinc/79/53/21/689795321.db2.gz CMRXWWSEAFSBLN-ZWKOTPCHSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCCN1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034285372 689795331 /nfs/dbraw/zinc/79/53/31/689795331.db2.gz CMRXWWSEAFSBLN-ZWKOTPCHSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034328815 689810281 /nfs/dbraw/zinc/81/02/81/689810281.db2.gz DUPYUSFSELJMQU-QZTJIDSGSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000876728771 689918197 /nfs/dbraw/zinc/91/81/97/689918197.db2.gz VDUQUWWNCQOUNO-LBPRGKRZSA-N 1 3 311.813 2.165 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000876728770 689918402 /nfs/dbraw/zinc/91/84/02/689918402.db2.gz VDUQUWWNCQOUNO-GFCCVEGCSA-N 1 3 311.813 2.165 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCCC[N@H+]1CCCC ZINC000876740352 689923268 /nfs/dbraw/zinc/92/32/68/689923268.db2.gz LTCQWBBZOOHOKU-ZIAGYGMSSA-N 1 3 301.862 2.227 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC000876740352 689923271 /nfs/dbraw/zinc/92/32/71/689923271.db2.gz LTCQWBBZOOHOKU-ZIAGYGMSSA-N 1 3 301.862 2.227 20 30 DEEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000876776062 689933975 /nfs/dbraw/zinc/93/39/75/689933975.db2.gz DRYBXPBHDGMTQK-KBMXLJTQSA-N 1 3 321.852 2.236 20 30 DEEDHO N#CCCC[C@H](N)C(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877447646 690115934 /nfs/dbraw/zinc/11/59/34/690115934.db2.gz ZNUCMXBXMWIHBP-BHYGNILZSA-N 1 3 320.481 2.154 20 30 DEEDHO C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035721196 690161126 /nfs/dbraw/zinc/16/11/26/690161126.db2.gz SCVYDVCRSAZLHB-KRWDZBQOSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001035727227 690162475 /nfs/dbraw/zinc/16/24/75/690162475.db2.gz ROBZNOCNGKBPML-INIZCTEOSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001035794662 690178268 /nfs/dbraw/zinc/17/82/68/690178268.db2.gz IPRPFOBTLMRFOD-KRWDZBQOSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001036027446 690238812 /nfs/dbraw/zinc/23/88/12/690238812.db2.gz BGFSJSRNSGZHIV-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001036852676 690499335 /nfs/dbraw/zinc/49/93/35/690499335.db2.gz HVOJRAWQTBZDNG-QZTJIDSGSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001036852676 690499337 /nfs/dbraw/zinc/49/93/37/690499337.db2.gz HVOJRAWQTBZDNG-QZTJIDSGSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001038863765 690948561 /nfs/dbraw/zinc/94/85/61/690948561.db2.gz NKBFNGROFUNFEJ-QGZVFWFLSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039163332 691036621 /nfs/dbraw/zinc/03/66/21/691036621.db2.gz AKIUPDXFIUAVFH-SJLPKXTDSA-N 1 3 319.493 2.075 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039163332 691036625 /nfs/dbraw/zinc/03/66/25/691036625.db2.gz AKIUPDXFIUAVFH-SJLPKXTDSA-N 1 3 319.493 2.075 20 30 DEEDHO C=CC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039163416 691037094 /nfs/dbraw/zinc/03/70/94/691037094.db2.gz CPMQTBTVJZDCAG-AEFFLSMTSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039163416 691037095 /nfs/dbraw/zinc/03/70/95/691037095.db2.gz CPMQTBTVJZDCAG-AEFFLSMTSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001039447741 691108394 /nfs/dbraw/zinc/10/83/94/691108394.db2.gz IDGMUVAFBAVKPL-MSOLQXFVSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001045438127 691980625 /nfs/dbraw/zinc/98/06/25/691980625.db2.gz JUTSVDPEKXWIRE-MRXNPFEDSA-N 1 3 307.482 2.406 20 30 DEEDHO CC#CCN1CCC(C)(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001045608332 692004362 /nfs/dbraw/zinc/00/43/62/692004362.db2.gz MPYWRTYGFJHALT-UHFFFAOYSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046315240 692150533 /nfs/dbraw/zinc/15/05/33/692150533.db2.gz IJIOZXWHHJNBDN-WMZOPIPTSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046315240 692150538 /nfs/dbraw/zinc/15/05/38/692150538.db2.gz IJIOZXWHHJNBDN-WMZOPIPTSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001049514814 692907375 /nfs/dbraw/zinc/90/73/75/692907375.db2.gz JHCVNUGXQWGHHR-KZNAEPCWSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001049514814 692907377 /nfs/dbraw/zinc/90/73/77/692907377.db2.gz JHCVNUGXQWGHHR-KZNAEPCWSA-N 1 3 319.493 2.216 20 30 DEEDHO C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001402322009 1162324280 /nfs/dbraw/zinc/32/42/80/1162324280.db2.gz WBDXMZVPWOKSQM-LSDHHAIUSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001402322009 1162324287 /nfs/dbraw/zinc/32/42/87/1162324287.db2.gz WBDXMZVPWOKSQM-LSDHHAIUSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(Cl)CN[C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001400861701 1161836848 /nfs/dbraw/zinc/83/68/48/1161836848.db2.gz XEWJYVSWXGBTDU-GJZGRUSLSA-N 1 3 315.889 2.486 20 30 DEEDHO C=C(Cl)CN[C@@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001400861701 1161836850 /nfs/dbraw/zinc/83/68/50/1161836850.db2.gz XEWJYVSWXGBTDU-GJZGRUSLSA-N 1 3 315.889 2.486 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001419518101 1168565831 /nfs/dbraw/zinc/56/58/31/1168565831.db2.gz XKOUSHLDBYISEY-LBPRGKRZSA-N 1 3 303.878 2.059 20 30 DEEDHO C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001420122586 1169176705 /nfs/dbraw/zinc/17/67/05/1169176705.db2.gz IRRKTJAIZFZFDX-HUUCEWRRSA-N 1 3 315.889 2.345 20 30 DEEDHO C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001420122586 1169176708 /nfs/dbraw/zinc/17/67/08/1169176708.db2.gz IRRKTJAIZFZFDX-HUUCEWRRSA-N 1 3 315.889 2.345 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)CCC)C1 ZINC001437333670 1179732054 /nfs/dbraw/zinc/73/20/54/1179732054.db2.gz QBVIWGJXBUFXQQ-KGLIPLIRSA-N 1 3 301.862 2.098 20 30 DEEDHO C=C(Cl)C[NH2+][C@H](CCNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001441412801 1181982694 /nfs/dbraw/zinc/98/26/94/1181982694.db2.gz CHZDEENHMGDYSK-UKRRQHHQSA-N 1 3 315.889 2.201 20 30 DEEDHO C=CCN1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001332221221 1149837623 /nfs/dbraw/zinc/83/76/23/1149837623.db2.gz WZZYUCNBWYAKJT-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCCCN1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001209266837 776684718 /nfs/dbraw/zinc/68/47/18/776684718.db2.gz DPVOISLZNBAARD-UHFFFAOYSA-N 1 3 300.450 2.264 20 30 DEEDHO C#CCCCN1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001209266837 776684723 /nfs/dbraw/zinc/68/47/23/776684723.db2.gz DPVOISLZNBAARD-UHFFFAOYSA-N 1 3 300.450 2.264 20 30 DEEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1CC ZINC001087636519 779389078 /nfs/dbraw/zinc/38/90/78/779389078.db2.gz VMNUOLMMXDKLPW-RCCFBDPRSA-N 1 3 319.493 2.099 20 30 DEEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1CC ZINC001087636519 779389081 /nfs/dbraw/zinc/38/90/81/779389081.db2.gz VMNUOLMMXDKLPW-RCCFBDPRSA-N 1 3 319.493 2.099 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671711 779405833 /nfs/dbraw/zinc/40/58/33/779405833.db2.gz MCEWYEZNTHJEFH-GVDBMIGSSA-N 1 3 305.466 2.016 20 30 DEEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085876156 784167150 /nfs/dbraw/zinc/16/71/50/784167150.db2.gz SQNOWHPAWLVHRO-GOSISDBHSA-N 1 3 315.461 2.471 20 30 DEEDHO C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968378115 784339213 /nfs/dbraw/zinc/33/92/13/784339213.db2.gz NTOWEZJNUAOCIV-RDJZCZTQSA-N 1 3 307.482 2.121 20 30 DEEDHO C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC000968882750 784635680 /nfs/dbraw/zinc/63/56/80/784635680.db2.gz TYSOAXHPPYNLHO-ROUUACIJSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC000968882750 784635687 /nfs/dbraw/zinc/63/56/87/784635687.db2.gz TYSOAXHPPYNLHO-ROUUACIJSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001007334948 784891552 /nfs/dbraw/zinc/89/15/52/784891552.db2.gz YDYSNHPBWMOHHJ-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001007334948 784891561 /nfs/dbraw/zinc/89/15/61/784891561.db2.gz YDYSNHPBWMOHHJ-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(CC)CC)C2 ZINC001108786275 785533804 /nfs/dbraw/zinc/53/38/04/785533804.db2.gz WBAUMBKTQBKYDK-BBWFWOEESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)N(CC)CC)C2 ZINC001109714357 785996297 /nfs/dbraw/zinc/99/62/97/785996297.db2.gz HQTFDBBZRIVWED-TWMKSMIVSA-N 1 3 307.482 2.404 20 30 DEEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)N(CC)CC)C2 ZINC001109714357 785996301 /nfs/dbraw/zinc/99/63/01/785996301.db2.gz HQTFDBBZRIVWED-TWMKSMIVSA-N 1 3 307.482 2.404 20 30 DEEDHO C=CCN1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132141216 787947040 /nfs/dbraw/zinc/94/70/40/787947040.db2.gz PRDBQICFLSYNDC-HZPDHXFCSA-N 1 3 316.449 2.063 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C ZINC001133121962 788287834 /nfs/dbraw/zinc/28/78/34/788287834.db2.gz MUTDIHIDDNYOBF-IRXDYDNUSA-N 1 3 321.509 2.369 20 30 DEEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C ZINC001133123050 788288728 /nfs/dbraw/zinc/28/87/28/788288728.db2.gz XYZUPKQGHLBJRA-JKSUJKDBSA-N 1 3 309.498 2.225 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1C ZINC001133197540 788313933 /nfs/dbraw/zinc/31/39/33/788313933.db2.gz ZLUFUOSWRIUJIH-ROUUACIJSA-N 1 3 321.509 2.369 20 30 DEEDHO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CCCCCC ZINC001135690898 789451119 /nfs/dbraw/zinc/45/11/19/789451119.db2.gz LOWTZKXIAOFAPI-DLBZAZTESA-N 1 3 309.498 2.395 20 30 DEEDHO C=CC[N@H+]1C[C@H](NC(=O)c2occc2CN(C)C)CC[C@@H]1C ZINC001071776543 789914504 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2.310 20 30 DEEDHO C=C(C)CC[NH2+]C1CC(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001100562313 792721456 /nfs/dbraw/zinc/72/14/56/792721456.db2.gz ISERGMWUTDWYMA-UHFFFAOYSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001175263462 794171981 /nfs/dbraw/zinc/17/19/81/794171981.db2.gz PXIXXBQQTHCJRI-DZGCQCFKSA-N 1 3 315.889 2.345 20 30 DEEDHO C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176351443 794411355 /nfs/dbraw/zinc/41/13/55/794411355.db2.gz UFMXDHZVOVHNNR-CQSZACIVSA-N 1 3 306.454 2.491 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CCC=C)CC1 ZINC001176738174 794484037 /nfs/dbraw/zinc/48/40/37/794484037.db2.gz PJMAUJQGXFLZDP-KRWDZBQOSA-N 1 3 319.493 2.172 20 30 DEEDHO C=C(Cl)C[NH2+]C1(CNC(=O)CN(C)C(C)C)CCCCC1 ZINC001120208057 795422209 /nfs/dbraw/zinc/42/22/09/795422209.db2.gz SOBWFBVXJOKNIS-UHFFFAOYSA-N 1 3 315.889 2.488 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001120458661 795464553 /nfs/dbraw/zinc/46/45/53/795464553.db2.gz IEDCFQHHCLUECR-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001120458661 795464558 /nfs/dbraw/zinc/46/45/58/795464558.db2.gz IEDCFQHHCLUECR-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO CN(C)CC#CC[NH2+]CC1(O)CCC(c2ccccc2)CC1 ZINC001120583216 795491021 /nfs/dbraw/zinc/49/10/21/795491021.db2.gz OFRMGOMQKJQDAK-UHFFFAOYSA-N 1 3 300.446 2.230 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001184714336 796109497 /nfs/dbraw/zinc/10/94/97/796109497.db2.gz XMDBFRQUBRIJOI-HZPDHXFCSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCc1cccc(CN2CCN(CCC[NH+](C)C)CC2)c1O ZINC001138628374 796245921 /nfs/dbraw/zinc/24/59/21/796245921.db2.gz TZQQQCVHSBPQBR-UHFFFAOYSA-N 1 3 317.477 2.190 20 30 DEEDHO C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203027103 796513262 /nfs/dbraw/zinc/51/32/62/796513262.db2.gz CMYPBGVGHGJGCP-CVEARBPZSA-N 1 3 319.493 2.454 20 30 DEEDHO C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189111194 796765093 /nfs/dbraw/zinc/76/50/93/796765093.db2.gz XCLARRJZCNTADD-YESZJQIVSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCCC[N@H+]1CCCN(C(=O)[C@H]2CCCN2CCC)CC1 ZINC001196059982 797997451 /nfs/dbraw/zinc/99/74/51/797997451.db2.gz BVWGQOJYLOPXPN-QGZVFWFLSA-N 1 3 307.482 2.361 20 30 DEEDHO C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2CCCN2CCC)CC1 ZINC001196059982 797997454 /nfs/dbraw/zinc/99/74/54/797997454.db2.gz BVWGQOJYLOPXPN-QGZVFWFLSA-N 1 3 307.482 2.361 20 30 DEEDHO C=CCCCN1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001196417597 798057554 /nfs/dbraw/zinc/05/75/54/798057554.db2.gz WZUFDBDITZDRIK-UHFFFAOYSA-N 1 3 305.466 2.115 20 30 DEEDHO N#Cc1ccccc1CNc1cccc(N2CCC([NH3+])CC2)n1 ZINC001156786602 798081892 /nfs/dbraw/zinc/08/18/92/798081892.db2.gz HWBKROUQQPHYRK-UHFFFAOYSA-N 1 3 307.401 2.493 20 30 DEEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001158555659 798427785 /nfs/dbraw/zinc/42/77/85/798427785.db2.gz WLFGHQHWPAJLCQ-QGZVFWFLSA-N 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1092075742 /nfs/dbraw/zinc/07/57/42/1092075742.db2.gz SJUXDCKRXJKHJB-HUUCEWRRSA-N 1 3 315.889 2.296 20 30 DEEDHO C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCCN2CC)CC1 ZINC001006441863 1092119600 /nfs/dbraw/zinc/11/96/00/1092119600.db2.gz GEFQAPFNEMDLML-QGZVFWFLSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001488996051 1092874870 /nfs/dbraw/zinc/87/48/70/1092874870.db2.gz DHWXTQAHJRHGJI-ZBFHGGJFSA-N 1 3 304.438 2.135 20 30 DEEDHO C=CCCC[NH+]1CCC(N(C)C(=O)CN(C)C2CCC2)CC1 ZINC001490410043 1093368938 /nfs/dbraw/zinc/36/89/38/1093368938.db2.gz WTTKCOHHDDWYJT-UHFFFAOYSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC001296066295 1139702297 /nfs/dbraw/zinc/70/22/97/1139702297.db2.gz WVIXQDBPWJKCRJ-SFHVURJKSA-N 1 3 315.461 2.227 20 30 DEEDHO C=CCC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001319693331 1140666175 /nfs/dbraw/zinc/66/61/75/1140666175.db2.gz BPQFVBIJBXWIGP-CVEARBPZSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCCCCCC[C@H](O)CN1CCNC[C@@]2(CCCC[NH2+]2)C1 ZINC001246031282 1140849722 /nfs/dbraw/zinc/84/97/22/1140849722.db2.gz VSMCOQNLNAXCMB-OALUTQOASA-N 1 3 323.525 2.291 20 30 DEEDHO C[NH+](C)CC#CCNC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001336784772 1142570573 /nfs/dbraw/zinc/57/05/73/1142570573.db2.gz TUMGDAOWLKIJAT-CQSZACIVSA-N 1 3 301.217 2.181 20 30 DEEDHO OC1(C[NH+]2CCC(S)CC2)CCN(Cc2ccccc2)CC1 ZINC001254040118 1143030963 /nfs/dbraw/zinc/03/09/63/1143030963.db2.gz OQLAYINBMZFURV-UHFFFAOYSA-N 1 3 320.502 2.408 20 30 DEEDHO CN1CCN(Cc2cccc(C[NH2+][C@H]3CC[C@H](C#N)C3)c2)CC1 ZINC001254638768 1143293240 /nfs/dbraw/zinc/29/32/40/1143293240.db2.gz QLWXXHCMKSLDDG-LPHOPBHVSA-N 1 3 312.461 2.216 20 30 DEEDHO C=CCCC[C@@H](N)C(=O)N(CC(C)C)CC1CC[NH+](C)CC1 ZINC001342318108 1143810999 /nfs/dbraw/zinc/81/09/99/1143810999.db2.gz ICUZCHTVERGASH-QGZVFWFLSA-N 1 3 309.498 2.496 20 30 DEEDHO CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001265626105 1144719232 /nfs/dbraw/zinc/71/92/32/1144719232.db2.gz OCGXEQNDYXOKNT-ZWKOTPCHSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001265626102 1144719281 /nfs/dbraw/zinc/71/92/81/1144719281.db2.gz OCGXEQNDYXOKNT-MSOLQXFVSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001282959590 1145213738 /nfs/dbraw/zinc/21/37/38/1145213738.db2.gz VOFTVHOBWCIRJD-ULQDDVLXSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001282959590 1145213747 /nfs/dbraw/zinc/21/37/47/1145213747.db2.gz VOFTVHOBWCIRJD-ULQDDVLXSA-N 1 3 307.482 2.119 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001317203863 1147273939 /nfs/dbraw/zinc/27/39/39/1147273939.db2.gz APIQINQMPZNLOM-ZWKOTPCHSA-N 1 3 319.493 2.195 20 30 DEEDHO CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001317203863 1147273943 /nfs/dbraw/zinc/27/39/43/1147273943.db2.gz APIQINQMPZNLOM-ZWKOTPCHSA-N 1 3 319.493 2.195 20 30 DEEDHO CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001317330640 1147342595 /nfs/dbraw/zinc/34/25/95/1147342595.db2.gz MXXJZEKXHPQUIT-DLBZAZTESA-N 1 3 309.498 2.489 20 30 DEEDHO C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001317407847 1147702431 /nfs/dbraw/zinc/70/24/31/1147702431.db2.gz ZGPJJMQGWCTIFM-YOEHRIQHSA-N 1 3 313.461 2.259 20 30 DEEDHO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCC[C@@H](N)C3)CC2)cc1 ZINC000423386634 283139702 /nfs/dbraw/zinc/13/97/02/283139702.db2.gz MDEHFBHGJKIMBS-IEBWSBKVSA-N 1 3 312.461 2.382 20 30 DEEDHO CN1CCC(N2CC[C@@H]([NH2+]C3CCC(C)(C#N)CC3)C2)CC1 ZINC000590645236 357572952 /nfs/dbraw/zinc/57/29/52/357572952.db2.gz DVFVSSNYKUWCDI-UPTPFMHGSA-N 1 3 304.482 2.217 20 30 DEEDHO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCCNCC3)CC2)cc1 ZINC000591578407 357738064 /nfs/dbraw/zinc/73/80/64/357738064.db2.gz ZTMMXFNFCFQHGK-GOSISDBHSA-N 1 3 312.461 2.254 20 30 DEEDHO C=CC[C@]1(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CCC[NH2+]1 ZINC000662689127 540333670 /nfs/dbraw/zinc/33/36/70/540333670.db2.gz DYRDWVDQPDADDI-PKOBYXMFSA-N 1 3 315.461 2.412 20 30 DEEDHO CN(CC#CC[N@@H+](C)CCc1ccncc1)CCc1ccncc1 ZINC000276613770 213000588 /nfs/dbraw/zinc/00/05/88/213000588.db2.gz SVQSOZWLKVYJLY-UHFFFAOYSA-N 1 3 322.456 2.129 20 30 DEEDHO CN(CC#CC[N@H+](C)CCc1ccncc1)CCc1ccncc1 ZINC000276613770 213000584 /nfs/dbraw/zinc/00/05/84/213000584.db2.gz SVQSOZWLKVYJLY-UHFFFAOYSA-N 1 3 322.456 2.129 20 30 DEEDHO C[C@H](CCC#N)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000602515553 360413968 /nfs/dbraw/zinc/41/39/68/360413968.db2.gz PMETXUBKAXWCHF-QGZVFWFLSA-N 1 3 314.477 2.463 20 30 DEEDHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271908099 209315537 /nfs/dbraw/zinc/31/55/37/209315537.db2.gz CRZDPTPCNWJTQY-OAHLLOKOSA-N 1 3 318.440 2.376 20 30 DEEDHO C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000619374699 363774875 /nfs/dbraw/zinc/77/48/75/363774875.db2.gz VRWWFEWHIJFHSI-KDOFPFPSSA-N 1 3 324.428 2.087 20 30 DEEDHO C[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)CN(C)C ZINC000291686218 404478616 /nfs/dbraw/zinc/47/86/16/404478616.db2.gz IKQCFMIFLXLMQO-MRXNPFEDSA-N 1 3 314.477 2.310 20 30 DEEDHO CC1CCN(C(=[NH2+])NCc2ccccc2OCCN(C)C)CC1 ZINC000122483178 402080307 /nfs/dbraw/zinc/08/03/07/402080307.db2.gz XZCFSOYSUVKPPA-UHFFFAOYSA-N 1 3 318.465 2.174 20 30 DEEDHO C=CCN1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000294099140 403647791 /nfs/dbraw/zinc/64/77/91/403647791.db2.gz BUZLZKXDOGHBED-UHFFFAOYSA-N 1 3 300.450 2.290 20 30 DEEDHO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000343924290 403794368 /nfs/dbraw/zinc/79/43/68/403794368.db2.gz MVONHOPJXYOJNG-APWZRJJASA-N 1 3 312.461 2.016 20 30 DEEDHO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000343924290 403794371 /nfs/dbraw/zinc/79/43/71/403794371.db2.gz MVONHOPJXYOJNG-APWZRJJASA-N 1 3 312.461 2.016 20 30 DEEDHO C[N@H+](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000349665369 404172810 /nfs/dbraw/zinc/17/28/10/404172810.db2.gz IOCPAKOUYGRXED-QGZVFWFLSA-N 1 3 324.428 2.231 20 30 DEEDHO C[N@@H+](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000349665369 404172820 /nfs/dbraw/zinc/17/28/20/404172820.db2.gz IOCPAKOUYGRXED-QGZVFWFLSA-N 1 3 324.428 2.231 20 30 DEEDHO C[NH+](C)CC(C)(C)CNC(=O)C(C#N)CCc1ccccc1 ZINC000357342533 404733066 /nfs/dbraw/zinc/73/30/66/404733066.db2.gz IIXDAICMLBTTFK-INIZCTEOSA-N 1 3 301.434 2.463 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1)C(C)C ZINC000417059883 405023379 /nfs/dbraw/zinc/02/33/79/405023379.db2.gz IXWMQLVAMBWAQW-YESZJQIVSA-N 1 3 322.497 2.064 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)C(C)C ZINC000436285433 405067206 /nfs/dbraw/zinc/06/72/06/405067206.db2.gz OUXPXKNUCPYHIF-ZHALLVOQSA-N 1 3 319.493 2.191 20 30 DEEDHO CC1(C)CCC[N@@H+]1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000457063451 405676164 /nfs/dbraw/zinc/67/61/64/405676164.db2.gz VQFYDHQPCUJCDN-QGZVFWFLSA-N 1 3 324.428 2.231 20 30 DEEDHO CC1(C)CCC[N@H+]1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000457063451 405676174 /nfs/dbraw/zinc/67/61/74/405676174.db2.gz VQFYDHQPCUJCDN-QGZVFWFLSA-N 1 3 324.428 2.231 20 30 DEEDHO C=CCCOCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423012966 405695030 /nfs/dbraw/zinc/69/50/30/405695030.db2.gz LRJVHEHANJHQKT-SJLPKXTDSA-N 1 3 302.418 2.425 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1C ZINC001423327159 1173242048 /nfs/dbraw/zinc/24/20/48/1173242048.db2.gz RXEJFPLCFRUOGV-ZIAGYGMSSA-N 1 3 315.889 2.296 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1C ZINC001423327159 1173242067 /nfs/dbraw/zinc/24/20/67/1173242067.db2.gz RXEJFPLCFRUOGV-ZIAGYGMSSA-N 1 3 315.889 2.296 20 30 DEEDHO C=CC[C@H]1CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)C1 ZINC000651746388 425145610 /nfs/dbraw/zinc/14/56/10/425145610.db2.gz PELHMKQPQMDRSH-ULQDDVLXSA-N 1 3 309.498 2.413 20 30 DEEDHO C=CCN1CCC(NC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000660703453 425212462 /nfs/dbraw/zinc/21/24/62/425212462.db2.gz CTTFCNMAVGKSNI-MRXNPFEDSA-N 1 3 322.497 2.056 20 30 DEEDHO C=CCN(Cc1ccc(OC)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252775 425602170 /nfs/dbraw/zinc/60/21/70/425602170.db2.gz OOQQZZYVVGLUBE-QGZVFWFLSA-N 1 3 302.418 2.204 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)C(C)C ZINC000236687330 277852405 /nfs/dbraw/zinc/85/24/05/277852405.db2.gz HIMOSHODQBGTOE-IAGOWNOFSA-N 1 3 319.493 2.191 20 30 DEEDHO N#C[C@@H]1CC[C@@H](NCc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000583360688 332352748 /nfs/dbraw/zinc/35/27/48/332352748.db2.gz DKMMMIKSVONKTM-LZQZEXGQSA-N 1 3 313.445 2.425 20 30 DEEDHO N#C[C@@H]1CC[C@@H](NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000583360688 332352749 /nfs/dbraw/zinc/35/27/49/332352749.db2.gz DKMMMIKSVONKTM-LZQZEXGQSA-N 1 3 313.445 2.425 20 30 DEEDHO CN1CCC(N2CCC([NH2+]CC(C)(C)CCC#N)CC2)CC1 ZINC000174325764 337140784 /nfs/dbraw/zinc/14/07/84/337140784.db2.gz VUVQKFJLLAQGMO-UHFFFAOYSA-N 1 3 306.498 2.465 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N(CCC)CCC[NH+](C)C)CC1 ZINC000189391950 340535045 /nfs/dbraw/zinc/53/50/45/340535045.db2.gz YHFPELLIFSDRJE-UHFFFAOYSA-N 1 3 324.513 2.400 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCCC[C@H]1C[NH3+])C(C)C ZINC000417061748 500577699 /nfs/dbraw/zinc/57/76/99/500577699.db2.gz LETMOPGISFWKNZ-DLBZAZTESA-N 1 3 322.497 2.208 20 30 DEEDHO CC[NH2+][C@H](C)CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423375370 528421133 /nfs/dbraw/zinc/42/11/33/528421133.db2.gz IUKKUCGZDZPBOW-OAHLLOKOSA-N 1 3 300.450 2.110 20 30 DEEDHO CCN[C@H](C)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423375370 528421139 /nfs/dbraw/zinc/42/11/39/528421139.db2.gz IUKKUCGZDZPBOW-OAHLLOKOSA-N 1 3 300.450 2.110 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCc1cccc(OC)c1 ZINC000264255647 529100637 /nfs/dbraw/zinc/10/06/37/529100637.db2.gz IDKGTNMUHKATBF-INIZCTEOSA-N 1 3 318.465 2.016 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001330467971 1149150474 /nfs/dbraw/zinc/15/04/74/1149150474.db2.gz OBWBAKXVAQARRF-ULQDDVLXSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001330467971 1149150488 /nfs/dbraw/zinc/15/04/88/1149150488.db2.gz OBWBAKXVAQARRF-ULQDDVLXSA-N 1 3 319.493 2.264 20 30 DEEDHO CC#CCN1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947311118 625446991 /nfs/dbraw/zinc/44/69/91/625446991.db2.gz YGFKSEPNIGYPNI-SJORKVTESA-N 1 3 319.493 2.243 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001020673552 623058948 /nfs/dbraw/zinc/05/89/48/623058948.db2.gz LPHWPSLUKJTSJM-RBSFLKMASA-N 1 3 313.873 2.240 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001020927283 623191628 /nfs/dbraw/zinc/19/16/28/623191628.db2.gz KWBCOUCJIPSCFL-KBUPBQIOSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000970319076 623400930 /nfs/dbraw/zinc/40/09/30/623400930.db2.gz RBKLFILCNGYYEQ-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000970319076 623400935 /nfs/dbraw/zinc/40/09/35/623400935.db2.gz RBKLFILCNGYYEQ-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604154 623818998 /nfs/dbraw/zinc/81/89/98/623818998.db2.gz BGIIBEKBEZRWEG-FUHWJXTLSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604154 623819004 /nfs/dbraw/zinc/81/90/04/623819004.db2.gz BGIIBEKBEZRWEG-FUHWJXTLSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCN(C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000971542156 624185021 /nfs/dbraw/zinc/18/50/21/624185021.db2.gz ZLOHOIQNEQZWBY-WMZOPIPTSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCN(C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000971542156 624185022 /nfs/dbraw/zinc/18/50/22/624185022.db2.gz ZLOHOIQNEQZWBY-WMZOPIPTSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023126115 625164065 /nfs/dbraw/zinc/16/40/65/625164065.db2.gz ILNVABAFSZCANE-CALCHBBNSA-N 1 3 301.434 2.175 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001023402032 625254225 /nfs/dbraw/zinc/25/42/25/625254225.db2.gz DJMMQVGRNKAFEX-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001023402032 625254227 /nfs/dbraw/zinc/25/42/27/625254227.db2.gz DJMMQVGRNKAFEX-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001024436907 625771010 /nfs/dbraw/zinc/77/10/10/625771010.db2.gz JZFBHCGFBUEBFH-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001024436907 625771016 /nfs/dbraw/zinc/77/10/16/625771016.db2.gz JZFBHCGFBUEBFH-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974864835 633339845 /nfs/dbraw/zinc/33/98/45/633339845.db2.gz RNOHFDJSABAUIJ-DLBZAZTESA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCC[N@H+]1C[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974864835 633339847 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C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001001471970 635504355 /nfs/dbraw/zinc/50/43/55/635504355.db2.gz PMJOBJMEXQFMJK-QGZVFWFLSA-N 1 3 305.466 2.185 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001005871158 636920738 /nfs/dbraw/zinc/92/07/38/636920738.db2.gz LIZUTZINIOCHMN-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001005871158 636920740 /nfs/dbraw/zinc/92/07/40/636920740.db2.gz LIZUTZINIOCHMN-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCN1CC[C@@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990759595 641946237 /nfs/dbraw/zinc/94/62/37/641946237.db2.gz DQHUJRKLTSUDTL-LHHMISFZSA-N 1 3 305.466 2.016 20 30 DEEDHO C=CCN1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990759595 641946239 /nfs/dbraw/zinc/94/62/39/641946239.db2.gz DQHUJRKLTSUDTL-LHHMISFZSA-N 1 3 305.466 2.016 20 30 DEEDHO Cc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cc1C#N ZINC000903506712 643365737 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C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CCC[C@H]2C)CC1 ZINC001016828197 687711558 /nfs/dbraw/zinc/71/15/58/687711558.db2.gz DLOTVFPLKGBYDT-SJORKVTESA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001016830422 687712038 /nfs/dbraw/zinc/71/20/38/687712038.db2.gz SCNNKNKXECMQNS-HOTGVXAUSA-N 1 3 305.466 2.018 20 30 DEEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001032581303 689193506 /nfs/dbraw/zinc/19/35/06/689193506.db2.gz PTKGPXAPFRJGFB-SQNIBIBYSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001032581303 689193509 /nfs/dbraw/zinc/19/35/09/689193509.db2.gz PTKGPXAPFRJGFB-SQNIBIBYSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCN1CCCC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034251010 689781944 /nfs/dbraw/zinc/78/19/44/689781944.db2.gz USHLZYIWFWBMDC-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCN1CCCC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034251010 689781946 /nfs/dbraw/zinc/78/19/46/689781946.db2.gz USHLZYIWFWBMDC-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCN1CCCC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034251015 689782444 /nfs/dbraw/zinc/78/24/44/689782444.db2.gz USHLZYIWFWBMDC-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCN1CCCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034251015 689782447 /nfs/dbraw/zinc/78/24/47/689782447.db2.gz USHLZYIWFWBMDC-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCN1CCCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034260305 689785132 /nfs/dbraw/zinc/78/51/32/689785132.db2.gz IDWWECPXOMWYLL-INIZCTEOSA-N 1 3 305.466 2.019 20 30 DEEDHO C=C(C)CN1CCCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034290307 689796986 /nfs/dbraw/zinc/79/69/86/689796986.db2.gz IBGPNXNZCSKAAM-INIZCTEOSA-N 1 3 305.466 2.162 20 30 DEEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001034364862 689824063 /nfs/dbraw/zinc/82/40/63/689824063.db2.gz WXFWBSFIOJRNGA-YESZJQIVSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001034364862 689824066 /nfs/dbraw/zinc/82/40/66/689824066.db2.gz WXFWBSFIOJRNGA-YESZJQIVSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000876709382 689911525 /nfs/dbraw/zinc/91/15/25/689911525.db2.gz QIZAQZVKAACQHG-CVEARBPZSA-N 1 3 321.852 2.410 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000876711934 689912428 /nfs/dbraw/zinc/91/24/28/689912428.db2.gz JIPIXHCVVUEZFQ-OAHLLOKOSA-N 1 3 309.841 2.095 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000876711934 689912432 /nfs/dbraw/zinc/91/24/32/689912432.db2.gz JIPIXHCVVUEZFQ-OAHLLOKOSA-N 1 3 309.841 2.095 20 30 DEEDHO COCCN(Cc1cc(C#N)cs1)CC1CC[NH+](C)CC1 ZINC000877665339 690183356 /nfs/dbraw/zinc/18/33/56/690183356.db2.gz RMQXOXORTUOLCB-UHFFFAOYSA-N 1 3 307.463 2.410 20 30 DEEDHO C=CCN(CC(=O)NC1CC[NH+](C)CC1)CC1CCCCC1 ZINC000878097464 690308394 /nfs/dbraw/zinc/30/83/94/690308394.db2.gz CYJXVWJNTALLOY-UHFFFAOYSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CC(C)(C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000878552249 690440019 /nfs/dbraw/zinc/44/00/19/690440019.db2.gz BJAIVSJGGMPFII-UHFFFAOYSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCN1CC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001039049240 691003297 /nfs/dbraw/zinc/00/32/97/691003297.db2.gz JWGOWNIZNBBDOR-MRXNPFEDSA-N 1 3 301.434 2.128 20 30 DEEDHO C=CCC[NH+]1CCC2(CCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001040729644 691282953 /nfs/dbraw/zinc/28/29/53/691282953.db2.gz KKTLXPGGLHZBGM-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045942811 692058838 /nfs/dbraw/zinc/05/88/38/692058838.db2.gz AFLUHOYTQRHABV-HKUYNNGSSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045942811 692058840 /nfs/dbraw/zinc/05/88/40/692058840.db2.gz AFLUHOYTQRHABV-HKUYNNGSSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C(C)C 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693601112 /nfs/dbraw/zinc/60/11/12/693601112.db2.gz CMGDDFGBVSDTFZ-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052712001 693601113 /nfs/dbraw/zinc/60/11/13/693601113.db2.gz CMGDDFGBVSDTFZ-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001052712292 693601329 /nfs/dbraw/zinc/60/13/29/693601329.db2.gz GRJGUGLEVOOJQS-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001052712292 693601332 /nfs/dbraw/zinc/60/13/32/693601332.db2.gz GRJGUGLEVOOJQS-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(Cl)C[NH2+]C1(C)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001393737542 1157941554 /nfs/dbraw/zinc/94/15/54/1157941554.db2.gz RLOYLNVRNZTJOP-ZDUSSCGKSA-N 1 3 313.873 2.051 20 30 DEEDHO C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001394032771 1158181371 /nfs/dbraw/zinc/18/13/71/1158181371.db2.gz HCIGQZCKGAJFPR-AWEZNQCLSA-N 1 3 317.905 2.399 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001377524528 1160489055 /nfs/dbraw/zinc/48/90/55/1160489055.db2.gz GNUIYKUCSMOLST-UONOGXRCSA-N 1 3 301.862 2.098 20 30 DEEDHO C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001400075948 1161647580 /nfs/dbraw/zinc/64/75/80/1161647580.db2.gz BEYWWLUNMRTHTP-CQSZACIVSA-N 1 3 315.889 2.297 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001437836859 1180023000 /nfs/dbraw/zinc/02/30/00/1180023000.db2.gz AUWCWYJSOYZLBS-DZGCQCFKSA-N 1 3 313.873 2.050 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106282182 782612787 /nfs/dbraw/zinc/61/27/87/782612787.db2.gz XJVZOCKMJUHNOY-YUELXQCFSA-N 1 3 315.889 2.009 20 30 DEEDHO C=CC[NH2+]Cc1ccc(CNC(=O)[C@H](CC)N(C)C)c(F)c1 ZINC001333479529 1150055093 /nfs/dbraw/zinc/05/50/93/1150055093.db2.gz KTJBRBFDWPZNLJ-INIZCTEOSA-N 1 3 307.413 2.058 20 30 DEEDHO C=CCCC[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167224253 776779935 /nfs/dbraw/zinc/77/99/35/776779935.db2.gz IBCBWTXPGVHPMB-MRXNPFEDSA-N 1 3 307.482 2.313 20 30 DEEDHO CCC#C[C@@H](C)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC001167469575 777118805 /nfs/dbraw/zinc/11/88/05/777118805.db2.gz ZRFASEZPGROCNC-MRXNPFEDSA-N 1 3 321.509 2.204 20 30 DEEDHO COCC[NH+]1CCC(NCc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000237109446 778777709 /nfs/dbraw/zinc/77/77/09/778777709.db2.gz VGOIJPWXQSXTFQ-HNNXBMFYSA-N 1 3 317.433 2.178 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001076324694 781218488 /nfs/dbraw/zinc/21/84/88/781218488.db2.gz YIAFBHLQFDFPKV-FGTMMUONSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001076324694 781218490 /nfs/dbraw/zinc/21/84/90/781218490.db2.gz YIAFBHLQFDFPKV-FGTMMUONSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001085295593 783625864 /nfs/dbraw/zinc/62/58/64/783625864.db2.gz OQDWXDVPHRNBPE-HZPDHXFCSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001085855962 784151315 /nfs/dbraw/zinc/15/13/15/784151315.db2.gz NPUQJYAPALYDOE-DLBZAZTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001085855962 784151322 /nfs/dbraw/zinc/15/13/22/784151322.db2.gz NPUQJYAPALYDOE-DLBZAZTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCN1CCC ZINC000968882038 784636232 /nfs/dbraw/zinc/63/62/32/784636232.db2.gz FWNWMNIRZFYUHC-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCN1CCC ZINC000968882038 784636235 /nfs/dbraw/zinc/63/62/35/784636235.db2.gz FWNWMNIRZFYUHC-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC000968882038 784636238 /nfs/dbraw/zinc/63/62/38/784636238.db2.gz FWNWMNIRZFYUHC-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000968882038 784636243 /nfs/dbraw/zinc/63/62/43/784636243.db2.gz FWNWMNIRZFYUHC-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001008052743 785091478 /nfs/dbraw/zinc/09/14/78/785091478.db2.gz OPCKOOMASSXALS-DLBZAZTESA-N 1 3 305.466 2.018 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001008052743 785091488 /nfs/dbraw/zinc/09/14/88/785091488.db2.gz OPCKOOMASSXALS-DLBZAZTESA-N 1 3 305.466 2.018 20 30 DEEDHO C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(CC)CC)C2 ZINC001112548760 786157280 /nfs/dbraw/zinc/15/72/80/786157280.db2.gz QDBUXJJBIGZBGJ-WMZOPIPTSA-N 1 3 307.482 2.123 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C ZINC001133121763 788287583 /nfs/dbraw/zinc/28/75/83/788287583.db2.gz KZCCXBPCCGAPPL-SJORKVTESA-N 1 3 321.509 2.369 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133345578 788375763 /nfs/dbraw/zinc/37/57/63/788375763.db2.gz DVXOUZGFKLHHFR-DZGCQCFKSA-N 1 3 315.889 2.153 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133345363 788376707 /nfs/dbraw/zinc/37/67/07/788376707.db2.gz BDLKUNZLCHVDLB-IAGOWNOFSA-N 1 3 309.498 2.367 20 30 DEEDHO CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001086943343 791857537 /nfs/dbraw/zinc/85/75/37/791857537.db2.gz RKWIXVFCUGLVDS-IRXDYDNUSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001086929052 791859307 /nfs/dbraw/zinc/85/93/07/791859307.db2.gz VMPAUVBJRWONIO-IAGOWNOFSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)[C@H](C)C1 ZINC001092603042 792082447 /nfs/dbraw/zinc/08/24/47/792082447.db2.gz RYMJSXZNQFBGFG-ZACQAIPSSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)[C@H](C)C1 ZINC001092603042 792082457 /nfs/dbraw/zinc/08/24/57/792082457.db2.gz RYMJSXZNQFBGFG-ZACQAIPSSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001103677345 794188470 /nfs/dbraw/zinc/18/84/70/794188470.db2.gz YGPFOJHWVZDGLS-GDBMZVCRSA-N 1 3 318.465 2.301 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001103677345 794188474 /nfs/dbraw/zinc/18/84/74/794188474.db2.gz YGPFOJHWVZDGLS-GDBMZVCRSA-N 1 3 318.465 2.301 20 30 DEEDHO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001103755403 794213851 /nfs/dbraw/zinc/21/38/51/794213851.db2.gz GBYXBHQDITWZKJ-BRWVUGGUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001103755403 794213857 /nfs/dbraw/zinc/21/38/57/794213857.db2.gz GBYXBHQDITWZKJ-BRWVUGGUSA-N 1 3 307.482 2.121 20 30 DEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CCCCCC)CC1 ZINC001176926650 794530107 /nfs/dbraw/zinc/53/01/07/794530107.db2.gz RKUNIWMNFIZRNJ-UHFFFAOYSA-N 1 3 307.482 2.008 20 30 DEEDHO C#CCC[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCCCC1 ZINC001115661867 794866636 /nfs/dbraw/zinc/86/66/36/794866636.db2.gz SKQBPXMHUWTDJN-UHFFFAOYSA-N 1 3 319.493 2.293 20 30 DEEDHO C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H](CC)N(C)C ZINC001178815368 795013553 /nfs/dbraw/zinc/01/35/53/795013553.db2.gz ATBSFQLUFQEQGS-CQSZACIVSA-N 1 3 303.878 2.345 20 30 DEEDHO C#CC[NH2+]CCCCCCNC(=O)c1ccccc1CN(C)C ZINC001180365897 795291672 /nfs/dbraw/zinc/29/16/72/795291672.db2.gz NRYGEAPTNXKGSR-UHFFFAOYSA-N 1 3 315.461 2.261 20 30 DEEDHO C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001181736188 795536434 /nfs/dbraw/zinc/53/64/34/795536434.db2.gz JGYDWTNJECQWPL-CRAIPNDOSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203576547 795925914 /nfs/dbraw/zinc/92/59/14/795925914.db2.gz FXIQACKLGOWPDD-ZIAGYGMSSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203576547 795925917 /nfs/dbraw/zinc/92/59/17/795925917.db2.gz FXIQACKLGOWPDD-ZIAGYGMSSA-N 1 3 313.873 2.098 20 30 DEEDHO C#CCC[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001185171768 796202128 /nfs/dbraw/zinc/20/21/28/796202128.db2.gz XYXPPFSJBOANTN-DLBZAZTESA-N 1 3 321.509 2.062 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001185359973 796238825 /nfs/dbraw/zinc/23/88/25/796238825.db2.gz MTETYYXCFIZBQU-MSOLQXFVSA-N 1 3 321.509 2.369 20 30 DEEDHO C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190646139 797047422 /nfs/dbraw/zinc/04/74/22/797047422.db2.gz XWRBNEPWLXAMIV-HZPDHXFCSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190646139 797047427 /nfs/dbraw/zinc/04/74/27/797047427.db2.gz XWRBNEPWLXAMIV-HZPDHXFCSA-N 1 3 307.482 2.358 20 30 DEEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001153400617 797335380 /nfs/dbraw/zinc/33/53/80/797335380.db2.gz QPEMNAFVYQNLJR-SJORKVTESA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001153400617 797335387 /nfs/dbraw/zinc/33/53/87/797335387.db2.gz QPEMNAFVYQNLJR-SJORKVTESA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001161238876 798814955 /nfs/dbraw/zinc/81/49/55/798814955.db2.gz BJUDBMJWBYQWBJ-KRWDZBQOSA-N 1 3 307.482 2.431 20 30 DEEDHO C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001161238876 798814959 /nfs/dbraw/zinc/81/49/59/798814959.db2.gz BJUDBMJWBYQWBJ-KRWDZBQOSA-N 1 3 307.482 2.431 20 30 DEEDHO C=CCN1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161699553 798915014 /nfs/dbraw/zinc/91/50/14/798915014.db2.gz UGNIEHAAOGOFFJ-QZTJIDSGSA-N 1 3 319.493 2.431 20 30 DEEDHO CC#CCN1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001161924471 798968663 /nfs/dbraw/zinc/96/86/63/798968663.db2.gz DNEGJFWWAWABLN-IAGOWNOFSA-N 1 3 317.477 2.021 20 30 DEEDHO CC#CCN1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161938904 798972916 /nfs/dbraw/zinc/97/29/16/798972916.db2.gz ZRSBMFUJVUOUJH-UHFFFAOYSA-N 1 3 317.477 2.024 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001202495987 798985496 /nfs/dbraw/zinc/98/54/96/798985496.db2.gz LWSIHAWKMMXABN-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)C(C)C ZINC001163006272 799221471 /nfs/dbraw/zinc/22/14/71/799221471.db2.gz BNCIKIBPXCUUNF-UHFFFAOYSA-N 1 3 317.477 2.174 20 30 DEEDHO Cc1cc(CC#N)ccc1NCC1(N(C)C)CC[NH+](C)CC1 ZINC001164213102 799540383 /nfs/dbraw/zinc/54/03/83/799540383.db2.gz OKECSJPXNMYNTA-UHFFFAOYSA-N 1 3 300.450 2.499 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001095525406 799647900 /nfs/dbraw/zinc/64/79/00/799647900.db2.gz PDZXRIOXUUDDGK-BDXSIMOUSA-N 1 3 319.493 2.262 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001095525406 799647903 /nfs/dbraw/zinc/64/79/03/799647903.db2.gz PDZXRIOXUUDDGK-BDXSIMOUSA-N 1 3 319.493 2.262 20 30 DEEDHO C=C(C)C[NH2+]CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001206302155 800505283 /nfs/dbraw/zinc/50/52/83/800505283.db2.gz UIMPKSHBQKCYOI-UHFFFAOYSA-N 1 3 309.498 2.369 20 30 DEEDHO Cn1cc(CN2CCC(C3CC[NH+](C)CC3)CC2)cc1C#N ZINC001207106885 800684411 /nfs/dbraw/zinc/68/44/11/800684411.db2.gz WLTMIRBVNIPLHD-UHFFFAOYSA-N 1 3 300.450 2.451 20 30 DEEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208340994 800960040 /nfs/dbraw/zinc/96/00/40/800960040.db2.gz SPPJILYYDHGLJY-JKSUJKDBSA-N 1 3 307.482 2.406 20 30 DEEDHO C#CCC[NH2+][C@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC001210183934 801348422 /nfs/dbraw/zinc/34/84/22/801348422.db2.gz UVHQZUMDYQICOR-KRWDZBQOSA-N 1 3 307.482 2.102 20 30 DEEDHO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230610462 801435440 /nfs/dbraw/zinc/43/54/40/801435440.db2.gz BNTNZCDEWAMWOY-SFHVURJKSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230610462 801435443 /nfs/dbraw/zinc/43/54/43/801435443.db2.gz BNTNZCDEWAMWOY-SFHVURJKSA-N 1 3 319.493 2.055 20 30 DEEDHO C[C@H](C#N)c1ccc(NC(=O)[C@@H](N)CCCC[NH+](C)C)cc1 ZINC001218871243 802252316 /nfs/dbraw/zinc/25/23/16/802252316.db2.gz JPKHYIXBNNKUCS-CJNGLKHVSA-N 1 3 302.422 2.311 20 30 DEEDHO Cc1cc(C#N)c(F)cc1NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001219112656 802284196 /nfs/dbraw/zinc/28/41/96/802284196.db2.gz PLZDSAWIEVBWMR-AWEZNQCLSA-N 1 3 306.385 2.004 20 30 DEEDHO C=CCCCCC[C@H](N)C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220799801 802499529 /nfs/dbraw/zinc/49/95/29/802499529.db2.gz HHQMWAWQQFZRFP-AGIUHOORSA-N 1 3 321.387 2.107 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001227899618 803293165 /nfs/dbraw/zinc/29/31/65/803293165.db2.gz AJVNSYIOWZDSPC-HZPDHXFCSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CC[C@@H](C)C1 ZINC001479572745 1061509239 /nfs/dbraw/zinc/50/92/39/1061509239.db2.gz QTYIJUMGIHHVGV-ZACQAIPSSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001480349917 1062696610 /nfs/dbraw/zinc/69/66/10/1062696610.db2.gz MVXCXRIRGOTCGC-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001494082459 1064118227 /nfs/dbraw/zinc/11/82/27/1064118227.db2.gz GXUGNTMIVXCBAV-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001494082459 1064118230 /nfs/dbraw/zinc/11/82/30/1064118230.db2.gz GXUGNTMIVXCBAV-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCC[N@@H+](C)CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001494205179 1064173469 /nfs/dbraw/zinc/17/34/69/1064173469.db2.gz ARECGSWNFIHDFZ-UHFFFAOYSA-N 1 3 321.509 2.158 20 30 DEEDHO C#CCC[N@H+](C)CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001494205179 1064173473 /nfs/dbraw/zinc/17/34/73/1064173473.db2.gz ARECGSWNFIHDFZ-UHFFFAOYSA-N 1 3 321.509 2.158 20 30 DEEDHO C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2CCCN2C(C)C)CCCC1 ZINC001567998349 1064585823 /nfs/dbraw/zinc/58/58/23/1064585823.db2.gz JCQYVGHPMLIXMM-INIZCTEOSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001568106226 1064649400 /nfs/dbraw/zinc/64/94/00/1064649400.db2.gz ORHGIAXUHROIKU-WKILWMFISA-N 1 3 307.482 2.454 20 30 DEEDHO CC#CC[NH2+]C[C@](C)(NC(=O)[C@@H](C)N1CCCCCC1)C1CC1 ZINC001495283112 1064807684 /nfs/dbraw/zinc/80/76/84/1064807684.db2.gz WBYCPIPUNPHHSG-APWZRJJASA-N 1 3 319.493 2.149 20 30 DEEDHO C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001569321524 1065427770 /nfs/dbraw/zinc/42/77/70/1065427770.db2.gz QMCFXTKFPDPZTM-IRXDYDNUSA-N 1 3 307.482 2.310 20 30 DEEDHO C#CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001569715731 1065687047 /nfs/dbraw/zinc/68/70/47/1065687047.db2.gz QCYNQOVRKYEKKH-IEBWSBKVSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001569715731 1065687051 /nfs/dbraw/zinc/68/70/51/1065687051.db2.gz QCYNQOVRKYEKKH-IEBWSBKVSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CCC(C(=O)NCC2([NH2+]CCC(C)C)CCC2)CC1 ZINC001570127759 1065934067 /nfs/dbraw/zinc/93/40/67/1065934067.db2.gz SBARONSURATXJV-UHFFFAOYSA-N 1 3 319.493 2.006 20 30 DEEDHO CC#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001327309152 1148520517 /nfs/dbraw/zinc/52/05/17/1148520517.db2.gz UJFMJVWMICSRDM-MSOLQXFVSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[NH2+]CC(C)(C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001329334906 1148885329 /nfs/dbraw/zinc/88/53/29/1148885329.db2.gz GGSUJKZIKPWZMK-UHFFFAOYSA-N 1 3 309.498 2.062 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001481112764 1079196801 /nfs/dbraw/zinc/19/68/01/1079196801.db2.gz RYUFLZXMNOSOPB-MRXNPFEDSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001481112764 1079196804 /nfs/dbraw/zinc/19/68/04/1079196804.db2.gz RYUFLZXMNOSOPB-MRXNPFEDSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001566623003 1075299608 /nfs/dbraw/zinc/29/96/08/1075299608.db2.gz FMQLYIZYLOEFHK-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001566623003 1075299612 /nfs/dbraw/zinc/29/96/12/1075299612.db2.gz FMQLYIZYLOEFHK-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO CC#CCN[C@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001284001295 1079682867 /nfs/dbraw/zinc/68/28/67/1079682867.db2.gz PVGVKKZSQGVFCM-SJORKVTESA-N 1 3 319.493 2.243 20 30 DEEDHO CC#CCN[C@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001284001295 1079682871 /nfs/dbraw/zinc/68/28/71/1079682871.db2.gz PVGVKKZSQGVFCM-SJORKVTESA-N 1 3 319.493 2.243 20 30 DEEDHO C=CCC[N@@H+](CC)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001485033402 1079929720 /nfs/dbraw/zinc/92/97/20/1079929720.db2.gz GFTRPBMQBQWEFX-UHFFFAOYSA-N 1 3 307.482 2.219 20 30 DEEDHO C=CCC[N@H+](CC)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001485033402 1079929724 /nfs/dbraw/zinc/92/97/24/1079929724.db2.gz GFTRPBMQBQWEFX-UHFFFAOYSA-N 1 3 307.482 2.219 20 30 DEEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001485081990 1079971105 /nfs/dbraw/zinc/97/11/05/1079971105.db2.gz AAMBCAGDBZNPFK-SFHVURJKSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001485081990 1079971107 /nfs/dbraw/zinc/97/11/07/1079971107.db2.gz AAMBCAGDBZNPFK-SFHVURJKSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[NH2+]C1CCC(N(C)C(=O)CN(C)C2CCC2)CC1 ZINC001485238969 1080089452 /nfs/dbraw/zinc/08/94/52/1080089452.db2.gz UPMATCOMPZFLQO-UHFFFAOYSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCCN2CC)C1 ZINC001279328930 1080456882 /nfs/dbraw/zinc/45/68/82/1080456882.db2.gz MYKNBNLIPIQUCQ-JCYILVPMSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCN1CC[C@H](N(CC)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001481783666 1080503017 /nfs/dbraw/zinc/50/30/17/1080503017.db2.gz YFHVNNZDOQAPRC-KRWDZBQOSA-N 1 3 307.482 2.361 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001279169802 1080550551 /nfs/dbraw/zinc/55/05/51/1080550551.db2.gz JGNBGIURDNXHKH-MSOLQXFVSA-N 1 3 321.509 2.369 20 30 DEEDHO C=C(C)CC[NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001482008586 1080683634 /nfs/dbraw/zinc/68/36/34/1080683634.db2.gz ZJXZUUFLEIPULU-UHFFFAOYSA-N 1 3 307.482 2.267 20 30 DEEDHO C#CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001482010766 1080685904 /nfs/dbraw/zinc/68/59/04/1080685904.db2.gz VXIFKUSLTLSZBQ-SFHVURJKSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCC[NH+]1CCC(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001482050133 1080748450 /nfs/dbraw/zinc/74/84/50/1080748450.db2.gz STYZCQPTVJQVTM-QGZVFWFLSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CC[NH2+]C[C@](C)(NC(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC001666027170 1081112619 /nfs/dbraw/zinc/11/26/19/1081112619.db2.gz WUNSCUKJNZZIMZ-YJBOKZPZSA-N 1 3 307.482 2.311 20 30 DEEDHO CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)C(C)C ZINC001667498153 1081258367 /nfs/dbraw/zinc/25/83/67/1081258367.db2.gz IORSDEWXCSBIGJ-IRXDYDNUSA-N 1 3 307.482 2.003 20 30 DEEDHO C#CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001482420768 1081809834 /nfs/dbraw/zinc/80/98/34/1081809834.db2.gz FNMGALHLEGYHOG-SJORKVTESA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001674499218 1081883974 /nfs/dbraw/zinc/88/39/74/1081883974.db2.gz FOICPXIKRUGCHC-DLBZAZTESA-N 1 3 307.482 2.216 20 30 DEEDHO CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001266465923 1082054444 /nfs/dbraw/zinc/05/44/44/1082054444.db2.gz FSJCTLGKWILQMR-KRWDZBQOSA-N 1 3 321.509 2.158 20 30 DEEDHO CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001266465923 1082054450 /nfs/dbraw/zinc/05/44/50/1082054450.db2.gz FSJCTLGKWILQMR-KRWDZBQOSA-N 1 3 321.509 2.158 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCCN1CC ZINC001266884060 1082428049 /nfs/dbraw/zinc/42/80/49/1082428049.db2.gz KOHTUJJTALWJHQ-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001283297350 1082469512 /nfs/dbraw/zinc/46/95/12/1082469512.db2.gz XZTLMYSIBMIIOA-DOTOQJQBSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001283297350 1082469515 /nfs/dbraw/zinc/46/95/15/1082469515.db2.gz XZTLMYSIBMIIOA-DOTOQJQBSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001277937459 1084387990 /nfs/dbraw/zinc/38/79/90/1084387990.db2.gz FCNCTDVRAJSVBM-YOEHRIQHSA-N 1 3 313.461 2.212 20 30 DEEDHO C=CCN1CC2(CCC1=O)CCN(CC(C)(C)C[NH+](C)C)CC2 ZINC001272871427 1084398383 /nfs/dbraw/zinc/39/83/83/1084398383.db2.gz WWESJRKZLYBDQS-UHFFFAOYSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCOCc1nn(CC2CC2)c2c1CN(CCCC[NH3+])CC2 ZINC001235492944 1084444820 /nfs/dbraw/zinc/44/48/20/1084444820.db2.gz JQVKVDUGIIGUOO-UHFFFAOYSA-N 1 3 318.465 2.093 20 30 DEEDHO C=CCN(C)CCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C(C)C ZINC001486373844 1085246724 /nfs/dbraw/zinc/24/67/24/1085246724.db2.gz FKAASADPTFQZAQ-KRWDZBQOSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCN(C)CCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C(C)C ZINC001486373844 1085246729 /nfs/dbraw/zinc/24/67/29/1085246729.db2.gz FKAASADPTFQZAQ-KRWDZBQOSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1c1ccccc1 ZINC001081179764 1089368870 /nfs/dbraw/zinc/36/88/70/1089368870.db2.gz JERANIXWPVSSNP-KSZLIROESA-N 1 3 315.461 2.097 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC000959876567 1089812640 /nfs/dbraw/zinc/81/26/40/1089812640.db2.gz QFJYJJRLOPOWNC-FVQHAEBGSA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC000959876567 1089812663 /nfs/dbraw/zinc/81/26/63/1089812663.db2.gz QFJYJJRLOPOWNC-FVQHAEBGSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCCN1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853207 1090476568 /nfs/dbraw/zinc/47/65/68/1090476568.db2.gz VPPBSVUUQJJPHB-KURKYZTESA-N 1 3 319.493 2.216 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)C[C@@H]21 ZINC001084938954 1090530776 /nfs/dbraw/zinc/53/07/76/1090530776.db2.gz MKZQRZIVVZLASU-KURKYZTESA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)C[C@@H]21 ZINC001084938954 1090530781 /nfs/dbraw/zinc/53/07/81/1090530781.db2.gz MKZQRZIVVZLASU-KURKYZTESA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001274446613 1091250363 /nfs/dbraw/zinc/25/03/63/1091250363.db2.gz RIUVKULQQVYHDQ-JKSUJKDBSA-N 1 3 309.498 2.365 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001274446613 1091250373 /nfs/dbraw/zinc/25/03/73/1091250373.db2.gz RIUVKULQQVYHDQ-JKSUJKDBSA-N 1 3 309.498 2.365 20 30 DEEDHO C=C(Cl)CNC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001411213352 1091428709 /nfs/dbraw/zinc/42/87/09/1091428709.db2.gz FLRLFSXLKSLCDZ-KBPBESRZSA-N 1 3 317.905 2.446 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN(C)C(C)C ZINC001275081573 1091543975 /nfs/dbraw/zinc/54/39/75/1091543975.db2.gz WNIOOMHIDIOJHI-IEBWSBKVSA-N 1 3 315.461 2.275 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001489325455 1093021902 /nfs/dbraw/zinc/02/19/02/1093021902.db2.gz FWYCPHVKFXAFEY-KRWDZBQOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001489325455 1093021909 /nfs/dbraw/zinc/02/19/09/1093021909.db2.gz FWYCPHVKFXAFEY-KRWDZBQOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001490772716 1093521272 /nfs/dbraw/zinc/52/12/72/1093521272.db2.gz QTCCXLCBLLZVMH-IRXDYDNUSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001490772716 1093521278 /nfs/dbraw/zinc/52/12/78/1093521278.db2.gz QTCCXLCBLLZVMH-IRXDYDNUSA-N 1 3 309.498 2.463 20 30 DEEDHO C#CCN(C(=O)CN(C)CC(C)(C)C)C1CC[NH+](CCC)CC1 ZINC001278184543 1138820292 /nfs/dbraw/zinc/82/02/92/1138820292.db2.gz OANZJLGUFWYBNC-UHFFFAOYSA-N 1 3 321.509 2.301 20 30 DEEDHO C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001318804425 1140424407 /nfs/dbraw/zinc/42/44/07/1140424407.db2.gz JCPQQQSYABYGHZ-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001318851598 1140438124 /nfs/dbraw/zinc/43/81/24/1140438124.db2.gz TXMZJOHSUVBJTC-IRXDYDNUSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001322843625 1141740144 /nfs/dbraw/zinc/74/01/44/1141740144.db2.gz DRBNVLISQUONJE-ZIAGYGMSSA-N 1 3 301.862 2.050 20 30 DEEDHO C=CCO[C@H]1CO[C@]2(C1)CCCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001256627133 1143858423 /nfs/dbraw/zinc/85/84/23/1143858423.db2.gz ZSGYRZKXJBLRGB-VEHMJYNQSA-N 1 3 320.477 2.438 20 30 DEEDHO C=CCO[C@H]1CO[C@]2(C1)CCCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001256627133 1143858424 /nfs/dbraw/zinc/85/84/24/1143858424.db2.gz ZSGYRZKXJBLRGB-VEHMJYNQSA-N 1 3 320.477 2.438 20 30 DEEDHO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001265571764 1144712789 /nfs/dbraw/zinc/71/27/89/1144712789.db2.gz ZMFKBYZRZRQGLN-CALCHBBNSA-N 1 3 301.434 2.175 20 30 DEEDHO C=CCN1C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001279630503 1144826338 /nfs/dbraw/zinc/82/63/38/1144826338.db2.gz CYFJFRPWIOMHEC-ZWKOTPCHSA-N 1 3 319.493 2.361 20 30 DEEDHO C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001280889899 1144861553 /nfs/dbraw/zinc/86/15/53/1144861553.db2.gz RWFGWCPCJFCRJD-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO C=C(C)C[NH2+]CC1CC(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001282083874 1144963214 /nfs/dbraw/zinc/96/32/14/1144963214.db2.gz IMPFVLSGETWRKB-UHFFFAOYSA-N 1 3 315.461 2.422 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@H](C)[N@@H+](C)CC/C=C/CC)CC1 ZINC001282497412 1145080392 /nfs/dbraw/zinc/08/03/92/1145080392.db2.gz OFSORSUHFUMLFH-OZSKJFCKSA-N 1 3 319.493 2.124 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@H](C)[N@H+](C)CC/C=C/CC)CC1 ZINC001282497412 1145080399 /nfs/dbraw/zinc/08/03/99/1145080399.db2.gz OFSORSUHFUMLFH-OZSKJFCKSA-N 1 3 319.493 2.124 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CC1(C)C ZINC001284292331 1145831406 /nfs/dbraw/zinc/83/14/06/1145831406.db2.gz REILPMJBUUDDII-CVEARBPZSA-N 1 3 309.498 2.365 20 30 DEEDHO CCCN1CCC([N@H+](C)C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001365288445 1145838217 /nfs/dbraw/zinc/83/82/17/1145838217.db2.gz WOBMICAZSKBEHE-SFHVURJKSA-N 1 3 301.434 2.398 20 30 DEEDHO CCCN1CCC([N@@H+](C)C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001365288445 1145838218 /nfs/dbraw/zinc/83/82/18/1145838218.db2.gz WOBMICAZSKBEHE-SFHVURJKSA-N 1 3 301.434 2.398 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN(C)CCC)C2)CC1 ZINC001316668996 1146916187 /nfs/dbraw/zinc/91/61/87/1146916187.db2.gz KVEFOGKXUFRKHH-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001491874231 1146944068 /nfs/dbraw/zinc/94/40/68/1146944068.db2.gz MKVKVWQICXDYJR-UONOGXRCSA-N 1 3 313.873 2.240 20 30 DEEDHO C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001317852832 1147758017 /nfs/dbraw/zinc/75/80/17/1147758017.db2.gz INRAPQLFXRALPG-SJORKVTESA-N 1 3 307.482 2.075 20 30 DEEDHO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001317852832 1147758018 /nfs/dbraw/zinc/75/80/18/1147758018.db2.gz INRAPQLFXRALPG-SJORKVTESA-N 1 3 307.482 2.075 20 30 DEEDHO CC#CCN1CCC[C@](C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001324943146 1147860667 /nfs/dbraw/zinc/86/06/67/1147860667.db2.gz DPTHFBPGAARGAH-PKOBYXMFSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CCN1CCC[C@](C)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001324943146 1147860668 /nfs/dbraw/zinc/86/06/68/1147860668.db2.gz DPTHFBPGAARGAH-PKOBYXMFSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCCC[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCC1 ZINC001326863322 1148273263 /nfs/dbraw/zinc/27/32/63/1148273263.db2.gz DHSNNBGMYQUWJX-UHFFFAOYSA-N 1 3 307.482 2.456 20 30 DEEDHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000072858154 191238836 /nfs/dbraw/zinc/23/88/36/191238836.db2.gz GWKSDNANYYBWPN-OAHLLOKOSA-N 1 3 314.433 2.160 20 30 DEEDHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000072858154 191238838 /nfs/dbraw/zinc/23/88/38/191238838.db2.gz GWKSDNANYYBWPN-OAHLLOKOSA-N 1 3 314.433 2.160 20 30 DEEDHO CN(Cc1cc(C#N)cs1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000589195637 357454676 /nfs/dbraw/zinc/45/46/76/357454676.db2.gz OIBXDNPXARNIKG-INIZCTEOSA-N 1 3 318.490 2.220 20 30 DEEDHO CC(C)(O)CN1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000602683296 360497249 /nfs/dbraw/zinc/49/72/49/360497249.db2.gz WOJFPRGQEZVXBC-UHFFFAOYSA-N 1 3 305.397 2.022 20 30 DEEDHO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000442781326 238075572 /nfs/dbraw/zinc/07/55/72/238075572.db2.gz ILPFNJUDWVXIMA-ROUUACIJSA-N 1 3 313.445 2.425 20 30 DEEDHO N#Cc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000268961692 207127073 /nfs/dbraw/zinc/12/70/73/207127073.db2.gz JAOBETMVMGCYGV-OALUTQOASA-N 1 3 313.445 2.416 20 30 DEEDHO C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001327434664 1148553531 /nfs/dbraw/zinc/55/35/31/1148553531.db2.gz BVYUUKGLVQKJQY-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO CN(CCCN(C)Cc1ccc(C#N)cc1F)CC[NH+](C)C ZINC000289585959 221085987 /nfs/dbraw/zinc/08/59/87/221085987.db2.gz ZGRZBTQWMYHIPC-UHFFFAOYSA-N 1 3 306.429 2.013 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000085403138 401915457 /nfs/dbraw/zinc/91/54/57/401915457.db2.gz SWOCHVZHAQPPGB-WBVHZDCISA-N 1 3 322.497 2.009 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000085403138 401915459 /nfs/dbraw/zinc/91/54/59/401915459.db2.gz SWOCHVZHAQPPGB-WBVHZDCISA-N 1 3 322.497 2.009 20 30 DEEDHO CN1CCC([NH+]2CCC(NCc3ccc(C#N)cc3)CC2)CC1 ZINC000051189678 402032838 /nfs/dbraw/zinc/03/28/38/402032838.db2.gz QPVUSGRQTFUAPX-UHFFFAOYSA-N 1 3 312.461 2.206 20 30 DEEDHO CN1CCC(N2CCC([NH2+][C@H]3CCC[C@H](C#N)C3)CC2)CC1 ZINC000192787200 402749923 /nfs/dbraw/zinc/74/99/23/402749923.db2.gz MDJKLTUUSMKLQK-RDJZCZTQSA-N 1 3 304.482 2.217 20 30 DEEDHO CN(C(=[NH2+])NC[C@@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000273347894 402996516 /nfs/dbraw/zinc/99/65/16/402996516.db2.gz PEVSJFDCYHNDBU-ZDUSSCGKSA-N 1 3 306.479 2.369 20 30 DEEDHO C=CCC[C@@H](CC)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414201128 404547236 /nfs/dbraw/zinc/54/72/36/404547236.db2.gz SNHGPKCMXQTIQC-QGZVFWFLSA-N 1 3 309.498 2.117 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000352822439 404646486 /nfs/dbraw/zinc/64/64/86/404646486.db2.gz YERBNIKRWDUKQM-KRWDZBQOSA-N 1 3 322.497 2.201 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000352822439 404646493 /nfs/dbraw/zinc/64/64/93/404646493.db2.gz YERBNIKRWDUKQM-KRWDZBQOSA-N 1 3 322.497 2.201 20 30 DEEDHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424149559 405022938 /nfs/dbraw/zinc/02/29/38/405022938.db2.gz WRIDPHAQTSUVDV-JYJNAYRXSA-N 1 3 308.470 2.024 20 30 DEEDHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421327019 405464217 /nfs/dbraw/zinc/46/42/17/405464217.db2.gz PHHYYTYENUGTFV-OAHLLOKOSA-N 1 3 318.440 2.061 20 30 DEEDHO CCN1CCN(CCCC[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421324999 405464243 /nfs/dbraw/zinc/46/42/43/405464243.db2.gz JBZBLECAMKWMRI-UHFFFAOYSA-N 1 3 318.440 2.205 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1)C(C)C ZINC000423330760 405764145 /nfs/dbraw/zinc/76/41/45/405764145.db2.gz GEWQWUKYSQYXRZ-YESZJQIVSA-N 1 3 307.482 2.189 20 30 DEEDHO CC[N@@H+]1CCC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000471949758 406131221 /nfs/dbraw/zinc/13/12/21/406131221.db2.gz YHPNUTVRLAQLRK-ROUUACIJSA-N 1 3 324.428 2.089 20 30 DEEDHO CC[N@H+]1CCC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000471949758 406131227 /nfs/dbraw/zinc/13/12/27/406131227.db2.gz YHPNUTVRLAQLRK-ROUUACIJSA-N 1 3 324.428 2.089 20 30 DEEDHO C#C[C@@H](NC(=[NH2+])NC[C@H]1CCCN1CC)c1ccc(F)cc1 ZINC000491523828 406610997 /nfs/dbraw/zinc/61/09/97/406610997.db2.gz HNQYFCLTPQPZKP-HZPDHXFCSA-N 1 3 302.397 2.098 20 30 DEEDHO C=CCN1CCC(NC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000660703452 425211682 /nfs/dbraw/zinc/21/16/82/425211682.db2.gz CTTFCNMAVGKSNI-INIZCTEOSA-N 1 3 322.497 2.056 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1[NH2+]CCC1(C)C)C(C)C ZINC000662681614 425712090 /nfs/dbraw/zinc/71/20/90/425712090.db2.gz KEZXHABDHQPMPH-HZPDHXFCSA-N 1 3 307.482 2.189 20 30 DEEDHO CCO[C@H](CC[NH+](C)C)CN[C@H]1CCc2ccc(C#N)cc21 ZINC000353241162 276357882 /nfs/dbraw/zinc/35/78/82/276357882.db2.gz LBFXGWRLSITUIG-AEFFLSMTSA-N 1 3 301.434 2.492 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)C(C)C ZINC000180989493 277849152 /nfs/dbraw/zinc/84/91/52/277849152.db2.gz LGHPEGYVZSPVIQ-FUHWJXTLSA-N 1 3 307.482 2.333 20 30 DEEDHO C=CCN1CCC(NC(=O)[C@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC001357395394 1152295920 /nfs/dbraw/zinc/29/59/20/1152295920.db2.gz DPMPEVBHSXLCIE-QGZVFWFLSA-N 1 3 319.493 2.313 20 30 DEEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001357582486 1152315726 /nfs/dbraw/zinc/31/57/26/1152315726.db2.gz WTHVJRQTTYAEMX-XIRDDKMYSA-N 1 3 305.466 2.145 20 30 DEEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001357582486 1152315731 /nfs/dbraw/zinc/31/57/31/1152315731.db2.gz WTHVJRQTTYAEMX-XIRDDKMYSA-N 1 3 305.466 2.145 20 30 DEEDHO C=CC[C@H](CC)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000341425636 527146458 /nfs/dbraw/zinc/14/64/58/527146458.db2.gz BAQKNQDGSAMHIQ-IRXDYDNUSA-N 1 3 324.513 2.399 20 30 DEEDHO C=CC[C@H](CC)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000341425636 527146463 /nfs/dbraw/zinc/14/64/63/527146463.db2.gz BAQKNQDGSAMHIQ-IRXDYDNUSA-N 1 3 324.513 2.399 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1cccnc1)C(C)C ZINC000267595752 529074704 /nfs/dbraw/zinc/07/47/04/529074704.db2.gz VZEDGSNCWQRILI-SJORKVTESA-N 1 3 317.481 2.210 20 30 DEEDHO C#CC[NH2+]C1CCC(NC(=O)c2ccccc2CN(C)C)CC1 ZINC001026610568 625564105 /nfs/dbraw/zinc/56/41/05/625564105.db2.gz MTLLZTLKVFUTSA-UHFFFAOYSA-N 1 3 313.445 2.012 20 30 DEEDHO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001024469518 625799957 /nfs/dbraw/zinc/79/99/57/625799957.db2.gz SBARDBMMEHPACM-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001024469518 625799961 /nfs/dbraw/zinc/79/99/61/625799961.db2.gz SBARDBMMEHPACM-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000999875934 634697739 /nfs/dbraw/zinc/69/77/39/634697739.db2.gz FEXLXJNNDNTXHM-YMAMQOFZSA-N 1 3 313.873 2.192 20 30 DEEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000999875934 634697742 /nfs/dbraw/zinc/69/77/42/634697742.db2.gz FEXLXJNNDNTXHM-YMAMQOFZSA-N 1 3 313.873 2.192 20 30 DEEDHO C=CC[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC1(C)C ZINC000996672834 633345909 /nfs/dbraw/zinc/34/59/09/633345909.db2.gz RBDIBBOOIAFMIK-QGZVFWFLSA-N 1 3 315.461 2.374 20 30 DEEDHO C=CCN1CC=C(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001001070029 635396997 /nfs/dbraw/zinc/39/69/97/635396997.db2.gz OIGVHDFOWYOXAR-QGZVFWFLSA-N 1 3 305.466 2.043 20 30 DEEDHO C=CCN1CC=C(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001001070029 635397003 /nfs/dbraw/zinc/39/70/03/635397003.db2.gz OIGVHDFOWYOXAR-QGZVFWFLSA-N 1 3 305.466 2.043 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)C1 ZINC000981841419 635683575 /nfs/dbraw/zinc/68/35/75/635683575.db2.gz BZAWXNOSCFCHMR-DLBZAZTESA-N 1 3 317.477 2.114 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)C1 ZINC000981841419 635683579 /nfs/dbraw/zinc/68/35/79/635683579.db2.gz BZAWXNOSCFCHMR-DLBZAZTESA-N 1 3 317.477 2.114 20 30 DEEDHO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](CC[NH3+])C1 ZINC000923487089 637201685 /nfs/dbraw/zinc/20/16/85/637201685.db2.gz WSMUAZYVZADKST-GJZGRUSLSA-N 1 3 321.490 2.322 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001006117229 637215289 /nfs/dbraw/zinc/21/52/89/637215289.db2.gz UYIISXHYUZHAHM-DLBZAZTESA-N 1 3 305.466 2.112 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001006117229 637215294 /nfs/dbraw/zinc/21/52/94/637215294.db2.gz UYIISXHYUZHAHM-DLBZAZTESA-N 1 3 305.466 2.112 20 30 DEEDHO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000903458912 643352015 /nfs/dbraw/zinc/35/20/15/643352015.db2.gz MXKUMVADNJRSIM-QGZVFWFLSA-N 1 3 324.432 2.062 20 30 DEEDHO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000903458912 643352021 /nfs/dbraw/zinc/35/20/21/643352021.db2.gz MXKUMVADNJRSIM-QGZVFWFLSA-N 1 3 324.432 2.062 20 30 DEEDHO CCCCCCNC(=O)C(C#N)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000805852270 643538904 /nfs/dbraw/zinc/53/89/04/643538904.db2.gz YWKBPVHCIITEFV-INIZCTEOSA-N 1 3 319.449 2.266 20 30 DEEDHO C#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000948829232 646696195 /nfs/dbraw/zinc/69/61/95/646696195.db2.gz HHTMKRYVUXVZNB-MSOLQXFVSA-N 1 3 319.493 2.195 20 30 DEEDHO C#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829232 646696198 /nfs/dbraw/zinc/69/61/98/646696198.db2.gz HHTMKRYVUXVZNB-MSOLQXFVSA-N 1 3 319.493 2.195 20 30 DEEDHO C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C(C)(C)C1 ZINC000940737355 648935280 /nfs/dbraw/zinc/93/52/80/648935280.db2.gz NXLDKYLNNDOCRG-CVEARBPZSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C(C)(C)C1 ZINC000940737355 648935283 /nfs/dbraw/zinc/93/52/83/648935283.db2.gz NXLDKYLNNDOCRG-CVEARBPZSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC000942558225 649244700 /nfs/dbraw/zinc/24/47/00/649244700.db2.gz TZXUZRRAMKOIJJ-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC000942558225 649244702 /nfs/dbraw/zinc/24/47/02/649244702.db2.gz TZXUZRRAMKOIJJ-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCC[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603666 651957193 /nfs/dbraw/zinc/95/71/93/651957193.db2.gz OAVHIGOMMIBFRP-GOSISDBHSA-N 1 3 301.434 2.398 20 30 DEEDHO C#CCC[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603666 651957199 /nfs/dbraw/zinc/95/71/99/651957199.db2.gz OAVHIGOMMIBFRP-GOSISDBHSA-N 1 3 301.434 2.398 20 30 DEEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054144969 693862389 /nfs/dbraw/zinc/86/23/89/693862389.db2.gz GBIDCERMYAKERU-IEBWSBKVSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054144969 693862391 /nfs/dbraw/zinc/86/23/91/693862391.db2.gz GBIDCERMYAKERU-IEBWSBKVSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001375515502 1158795737 /nfs/dbraw/zinc/79/57/37/1158795737.db2.gz KYNOTFMQCPOOJV-TUVASFSCSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001015840113 687438940 /nfs/dbraw/zinc/43/89/40/687438940.db2.gz TUSFVUSLPRZJGB-QGZVFWFLSA-N 1 3 301.434 2.128 20 30 DEEDHO N#Cc1cc(F)ccc1N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000866704708 687659720 /nfs/dbraw/zinc/65/97/20/687659720.db2.gz XDCAILZHCAEMRY-UHFFFAOYSA-N 1 3 316.424 2.209 20 30 DEEDHO C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CCC[C@H]2C)CC1 ZINC001016828051 687711744 /nfs/dbraw/zinc/71/17/44/687711744.db2.gz CEQUQWMCRYYUDY-CVEARBPZSA-N 1 3 305.466 2.018 20 30 DEEDHO CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)[C@@H](N)CCCCC#N ZINC000867988194 687863121 /nfs/dbraw/zinc/86/31/21/687863121.db2.gz WIUMIUGLWPYDGN-ZFWWWQNUSA-N 1 3 300.406 2.223 20 30 DEEDHO 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C=C(C)CN1CC2(C1)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001035725089 690161748 /nfs/dbraw/zinc/16/17/48/690161748.db2.gz FPRPNKKAUXRHLD-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001036222964 690295150 /nfs/dbraw/zinc/29/51/50/690295150.db2.gz CTMIAPBSFJGMPY-DLBZAZTESA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036852677 690498972 /nfs/dbraw/zinc/49/89/72/690498972.db2.gz HVOJRAWQTBZDNG-ROUUACIJSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036852677 690498975 /nfs/dbraw/zinc/49/89/75/690498975.db2.gz HVOJRAWQTBZDNG-ROUUACIJSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001039161033 691036175 /nfs/dbraw/zinc/03/61/75/691036175.db2.gz GOLSOWPCFOZWDD-MRXNPFEDSA-N 1 3 316.449 2.089 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001039161033 691036177 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DEEDHO C=CCN1CCC(C)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001045478989 691987320 /nfs/dbraw/zinc/98/73/20/691987320.db2.gz LVDWCEFPEUPKOK-JKSUJKDBSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCN1CCC(C)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001045478989 691987323 /nfs/dbraw/zinc/98/73/23/691987323.db2.gz LVDWCEFPEUPKOK-JKSUJKDBSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCN1CCC(C)(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001045585147 692001295 /nfs/dbraw/zinc/00/12/95/692001295.db2.gz NZJQUVUYFLKXJS-JKSUJKDBSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCN1CCC(C)(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001045585147 692001297 /nfs/dbraw/zinc/00/12/97/692001297.db2.gz NZJQUVUYFLKXJS-JKSUJKDBSA-N 1 3 305.466 2.160 20 30 DEEDHO C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001045948171 692060753 /nfs/dbraw/zinc/06/07/53/692060753.db2.gz WUIWMRGPVLUWPL-MJGOQNOKSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001045948171 692060756 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C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053043272 693676130 /nfs/dbraw/zinc/67/61/30/693676130.db2.gz GLWNBTCNLCBNDA-HZPDHXFCSA-N 1 3 316.449 2.089 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001370667869 1149826449 /nfs/dbraw/zinc/82/64/49/1149826449.db2.gz CBIFBCGOUJYRHE-MJBXVCDLSA-N 1 3 301.862 2.096 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001420087187 1169152510 /nfs/dbraw/zinc/15/25/10/1169152510.db2.gz MILIVWVNDDPYRM-UKRRQHHQSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CN[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001444880883 1183617493 /nfs/dbraw/zinc/61/74/93/1183617493.db2.gz AJBZHYCZAJVTPI-CABCVRRESA-N 1 3 315.889 2.344 20 30 DEEDHO C=C(Cl)CN[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C(C)C ZINC001444880883 1183617496 /nfs/dbraw/zinc/61/74/96/1183617496.db2.gz AJBZHYCZAJVTPI-CABCVRRESA-N 1 3 315.889 2.344 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001333398525 1150045438 /nfs/dbraw/zinc/04/54/38/1150045438.db2.gz AHJQIHNFERVFHO-SJORKVTESA-N 1 3 319.493 2.431 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001333398525 1150045441 /nfs/dbraw/zinc/04/54/41/1150045441.db2.gz AHJQIHNFERVFHO-SJORKVTESA-N 1 3 319.493 2.431 20 30 DEEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCCCCC)C[C@H]1C ZINC001106772884 782928781 /nfs/dbraw/zinc/92/87/81/782928781.db2.gz XNQAMUHEUIGBTB-IAGOWNOFSA-N 1 3 309.498 2.369 20 30 DEEDHO CC#CC[N@@H+]1CC[C@H](NC(=O)CN2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493166 783159186 /nfs/dbraw/zinc/15/91/86/783159186.db2.gz UOAWKFUXKXMXBM-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[N@H+]1CC[C@H](NC(=O)CN2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493166 783159192 /nfs/dbraw/zinc/15/91/92/783159192.db2.gz UOAWKFUXKXMXBM-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@@H]2C1 ZINC001088109673 779706961 /nfs/dbraw/zinc/70/69/61/779706961.db2.gz RQWDATIJLXPABA-IKGGRYGDSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@@H]2C1 ZINC001088109673 779706968 /nfs/dbraw/zinc/70/69/68/779706968.db2.gz RQWDATIJLXPABA-IKGGRYGDSA-N 1 3 307.482 2.073 20 30 DEEDHO C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001088395046 780067752 /nfs/dbraw/zinc/06/77/52/780067752.db2.gz WBHNVYQNTNOZDU-QZTJIDSGSA-N 1 3 319.493 2.243 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001088424670 780107002 /nfs/dbraw/zinc/10/70/02/780107002.db2.gz CLDZQDXHFCPINF-LSDHHAIUSA-N 1 3 313.873 2.051 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001088424670 780107008 /nfs/dbraw/zinc/10/70/08/780107008.db2.gz CLDZQDXHFCPINF-LSDHHAIUSA-N 1 3 313.873 2.051 20 30 DEEDHO C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001088429957 780113763 /nfs/dbraw/zinc/11/37/63/780113763.db2.gz DZGSEVHANPTTMP-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203426397 780119600 /nfs/dbraw/zinc/11/96/00/780119600.db2.gz JPYIKCKIVLORMH-JKSUJKDBSA-N 1 3 319.493 2.005 20 30 DEEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001089642053 783313179 /nfs/dbraw/zinc/31/31/79/783313179.db2.gz AELAIWMFSXXULP-BZUAXINKSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001089642053 783313189 /nfs/dbraw/zinc/31/31/89/783313189.db2.gz AELAIWMFSXXULP-BZUAXINKSA-N 1 3 307.482 2.119 20 30 DEEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C ZINC001133123043 788287928 /nfs/dbraw/zinc/28/79/28/788287928.db2.gz XYZDCMADVARUMQ-DLBZAZTESA-N 1 3 321.509 2.062 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C ZINC001133275142 788346475 /nfs/dbraw/zinc/34/64/75/788346475.db2.gz PYDFZMGELREGFD-UKRRQHHQSA-N 1 3 315.889 2.155 20 30 DEEDHO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369908 788900709 /nfs/dbraw/zinc/90/07/09/788900709.db2.gz USLJCTUUHJXSNB-HZPDHXFCSA-N 1 3 307.482 2.147 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134584787 788989430 /nfs/dbraw/zinc/98/94/30/788989430.db2.gz XAXFRIYBGFQREO-STQMWFEESA-N 1 3 301.862 2.096 20 30 DEEDHO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001146582404 791315603 /nfs/dbraw/zinc/31/56/03/791315603.db2.gz HCMXWVOZFJWWMP-GJZGRUSLSA-N 1 3 303.450 2.421 20 30 DEEDHO C=CC[N@@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001093218235 792293601 /nfs/dbraw/zinc/29/36/01/792293601.db2.gz PDUBNTZVOWJPBG-CRAIPNDOSA-N 1 3 315.461 2.232 20 30 DEEDHO C=CC[N@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001093218235 792293606 /nfs/dbraw/zinc/29/36/06/792293606.db2.gz PDUBNTZVOWJPBG-CRAIPNDOSA-N 1 3 315.461 2.232 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101400358 793144681 /nfs/dbraw/zinc/14/46/81/793144681.db2.gz SOZUXUTYTJPDFC-AEFFLSMTSA-N 1 3 307.482 2.075 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101400358 793144683 /nfs/dbraw/zinc/14/46/83/793144683.db2.gz SOZUXUTYTJPDFC-AEFFLSMTSA-N 1 3 307.482 2.075 20 30 DEEDHO C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001103439668 794094142 /nfs/dbraw/zinc/09/41/42/794094142.db2.gz NXDVJJBWOMERCB-IAGOWNOFSA-N 1 3 321.509 2.062 20 30 DEEDHO C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001103439668 794094153 /nfs/dbraw/zinc/09/41/53/794094153.db2.gz NXDVJJBWOMERCB-IAGOWNOFSA-N 1 3 321.509 2.062 20 30 DEEDHO C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)CN(CC)CC ZINC001175767763 794284651 /nfs/dbraw/zinc/28/46/51/794284651.db2.gz JJVBBVQUXXFJTP-AWEZNQCLSA-N 1 3 303.878 2.345 20 30 DEEDHO C#CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC001176746896 794486050 /nfs/dbraw/zinc/48/60/50/794486050.db2.gz OXWMCVQAJCGXHS-MRXNPFEDSA-N 1 3 315.461 2.260 20 30 DEEDHO C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C(C)C)N(C)C ZINC001177341826 794644512 /nfs/dbraw/zinc/64/45/12/794644512.db2.gz CHNASKLXSNJPKN-SFHVURJKSA-N 1 3 321.509 2.204 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001120469194 795466793 /nfs/dbraw/zinc/46/67/93/795466793.db2.gz IFLIOGZNAHNGAW-MSOLQXFVSA-N 1 3 319.493 2.053 20 30 DEEDHO CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001120469194 795466794 /nfs/dbraw/zinc/46/67/94/795466794.db2.gz IFLIOGZNAHNGAW-MSOLQXFVSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001120470996 795467345 /nfs/dbraw/zinc/46/73/45/795467345.db2.gz VEPGDOZPGAOTPK-QZTJIDSGSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001120470996 795467351 /nfs/dbraw/zinc/46/73/51/795467351.db2.gz VEPGDOZPGAOTPK-QZTJIDSGSA-N 1 3 319.493 2.053 20 30 DEEDHO C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001121245542 795607095 /nfs/dbraw/zinc/60/70/95/795607095.db2.gz HEWLOUOQNANOPC-RFSHTEQGSA-N 1 3 319.493 2.310 20 30 DEEDHO C=CCC[NH2+]C[C@]1(C)CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001182614140 795722508 /nfs/dbraw/zinc/72/25/08/795722508.db2.gz CBOCNOVSDUBBOA-JFIYKMOQSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001182932588 795785996 /nfs/dbraw/zinc/78/59/96/795785996.db2.gz BMJXQFPRHKSPFL-SJLPKXTDSA-N 1 3 309.498 2.369 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C12CCC2 ZINC001203026686 796511762 /nfs/dbraw/zinc/51/17/62/796511762.db2.gz AMBXPDVIJJNXQT-HOTGVXAUSA-N 1 3 305.466 2.064 20 30 DEEDHO C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203027105 796513045 /nfs/dbraw/zinc/51/30/45/796513045.db2.gz CMYPBGVGHGJGCP-HZPDHXFCSA-N 1 3 319.493 2.454 20 30 DEEDHO CSc1nc(CN(C)CC2CC[NH+](C)CC2)ccc1C#N ZINC001141938884 796699110 /nfs/dbraw/zinc/69/91/10/796699110.db2.gz JSHGPXRULVGFLN-UHFFFAOYSA-N 1 3 304.463 2.449 20 30 DEEDHO CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)N(C)C ZINC001114409228 799093451 /nfs/dbraw/zinc/09/34/51/799093451.db2.gz IIPHFNDKJWTBSI-VSZNYVQBSA-N 1 3 321.509 2.343 20 30 DEEDHO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)N(C)C ZINC001114409228 799093458 /nfs/dbraw/zinc/09/34/58/799093458.db2.gz IIPHFNDKJWTBSI-VSZNYVQBSA-N 1 3 321.509 2.343 20 30 DEEDHO CSc1nc(CN2CC[C@@H](C)[C@H](C[NH3+])CC2)ccc1C#N ZINC001205627576 800390138 /nfs/dbraw/zinc/39/01/38/800390138.db2.gz QXQVFGPOIXQZAY-OLZOCXBDSA-N 1 3 304.463 2.482 20 30 DEEDHO C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001206176245 800484831 /nfs/dbraw/zinc/48/48/31/800484831.db2.gz JJNOJPVARPEJGK-QGZVFWFLSA-N 1 3 309.498 2.367 20 30 DEEDHO C#Cc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000934922396 800499071 /nfs/dbraw/zinc/49/90/71/800499071.db2.gz JRPFIGQHNBJLQN-HNNXBMFYSA-N 1 3 316.449 2.061 20 30 DEEDHO C#Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000934922396 800499073 /nfs/dbraw/zinc/49/90/73/800499073.db2.gz JRPFIGQHNBJLQN-HNNXBMFYSA-N 1 3 316.449 2.061 20 30 DEEDHO C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206929184 800631691 /nfs/dbraw/zinc/63/16/91/800631691.db2.gz XWTVPPVIHZPTTA-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO CC[NH+]1CCC(CN2CCN(c3cccc(C#N)c3)CC2)CC1 ZINC001208601944 801025196 /nfs/dbraw/zinc/02/51/96/801025196.db2.gz UHRSFKCQKQQDNW-UHFFFAOYSA-N 1 3 312.461 2.412 20 30 DEEDHO C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001209950267 801312114 /nfs/dbraw/zinc/31/21/14/801312114.db2.gz DMKZEYRUMIWQDB-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[C@@H](C)[NH+]1CCC(NC(=O)Cc2nc[nH]c2C)CC1 ZINC001230125603 801363608 /nfs/dbraw/zinc/36/36/08/801363608.db2.gz YHYRPWSKFFBYFD-CYBMUJFWSA-N 1 3 304.438 2.196 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001230618402 801438147 /nfs/dbraw/zinc/43/81/47/801438147.db2.gz MMDDBBIYZXLFBS-GOSISDBHSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001230618402 801438151 /nfs/dbraw/zinc/43/81/51/801438151.db2.gz MMDDBBIYZXLFBS-GOSISDBHSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001211375838 801556841 /nfs/dbraw/zinc/55/68/41/801556841.db2.gz AWKSDPXNHVOWKK-BRWVUGGUSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001211375838 801556851 /nfs/dbraw/zinc/55/68/51/801556851.db2.gz AWKSDPXNHVOWKK-BRWVUGGUSA-N 1 3 307.482 2.119 20 30 DEEDHO Cc1cc(C#N)c(F)cc1NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001219112879 802284023 /nfs/dbraw/zinc/28/40/23/802284023.db2.gz YKTYEZDMEDRHSK-HNNXBMFYSA-N 1 3 320.412 2.440 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N(C)CC)C[C@@H]21 ZINC001223024152 802759517 /nfs/dbraw/zinc/75/95/17/802759517.db2.gz SULSIZDEPZMHPP-CVEARBPZSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N(C)CC)C[C@@H]21 ZINC001223024152 802759520 /nfs/dbraw/zinc/75/95/20/802759520.db2.gz SULSIZDEPZMHPP-CVEARBPZSA-N 1 3 307.482 2.216 20 30 DEEDHO C#C[C@@H](C)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227160248 803209871 /nfs/dbraw/zinc/20/98/71/803209871.db2.gz DTJNACZNVPNVMW-OAHLLOKOSA-N 1 3 317.477 2.272 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001227703944 803268426 /nfs/dbraw/zinc/26/84/26/803268426.db2.gz OXIIJCGTZNNWQQ-KURKYZTESA-N 1 3 319.493 2.454 20 30 DEEDHO C=CCC[C@H](C)[NH+]1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC001227833167 803286057 /nfs/dbraw/zinc/28/60/57/803286057.db2.gz UXVJSOXBMZNVEX-HNNXBMFYSA-N 1 3 307.482 2.406 20 30 DEEDHO CC#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCCCN1CC)C(C)C ZINC001331226192 1149399524 /nfs/dbraw/zinc/39/95/24/1149399524.db2.gz OSPKZBLMGKZCKH-SJORKVTESA-N 1 3 307.482 2.005 20 30 DEEDHO C#CCN(C)CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001327252413 1148405235 /nfs/dbraw/zinc/40/52/35/1148405235.db2.gz OXDQLTCNGHZGTQ-SFHVURJKSA-N 1 3 319.493 2.197 20 30 DEEDHO C#CCN(C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001327252413 1148405239 /nfs/dbraw/zinc/40/52/39/1148405239.db2.gz OXDQLTCNGHZGTQ-SFHVURJKSA-N 1 3 319.493 2.197 20 30 DEEDHO C=C(C)C[NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C1CCCC1 ZINC001500094606 1058487360 /nfs/dbraw/zinc/48/73/60/1058487360.db2.gz DAHIFWXVGAWRMP-KRWDZBQOSA-N 1 3 307.482 2.311 20 30 DEEDHO C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)C(C)C)C2 ZINC001500163265 1058535283 /nfs/dbraw/zinc/53/52/83/1058535283.db2.gz UOFXGAUVXHCHPQ-LJQANCHMSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)C(C)C)C2 ZINC001500163265 1058535299 /nfs/dbraw/zinc/53/52/99/1058535299.db2.gz UOFXGAUVXHCHPQ-LJQANCHMSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCC[N@H+]1CCC[C@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001500501533 1058858906 /nfs/dbraw/zinc/85/89/06/1058858906.db2.gz BFFSWPFYKLFOOL-GOSISDBHSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001500501533 1058858932 /nfs/dbraw/zinc/85/89/32/1058858932.db2.gz BFFSWPFYKLFOOL-GOSISDBHSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001501182076 1059357097 /nfs/dbraw/zinc/35/70/97/1059357097.db2.gz ZZUJHVUVJSTWNF-BZSNNMDCSA-N 1 3 321.509 2.108 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001502829014 1060335525 /nfs/dbraw/zinc/33/55/25/1060335525.db2.gz LXCKVTXGDKRHBF-HOTGVXAUSA-N 1 3 309.498 2.365 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001502829014 1060335546 /nfs/dbraw/zinc/33/55/46/1060335546.db2.gz LXCKVTXGDKRHBF-HOTGVXAUSA-N 1 3 309.498 2.365 20 30 DEEDHO CC#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001479519467 1061487655 /nfs/dbraw/zinc/48/76/55/1061487655.db2.gz LPWYCBWUGWORRD-FUHWJXTLSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN(C)CCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001327271666 1148509245 /nfs/dbraw/zinc/50/92/45/1148509245.db2.gz RWXWGQWQLAWPOE-QGZVFWFLSA-N 1 3 307.482 2.055 20 30 DEEDHO C=CCN1CC=C(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001508231300 1063624460 /nfs/dbraw/zinc/62/44/60/1063624460.db2.gz XSMDMLRUCDGFQD-SFHVURJKSA-N 1 3 319.493 2.431 20 30 DEEDHO C=C(C)CN(CCNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001493381046 1063759144 /nfs/dbraw/zinc/75/91/44/1063759144.db2.gz MBBUUGUXMRSBBF-UHFFFAOYSA-N 1 3 305.466 2.019 20 30 DEEDHO C#CCC[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CCCCC1 ZINC001568344206 1064793422 /nfs/dbraw/zinc/79/34/22/1064793422.db2.gz WXWXOGGULFYJND-QGZVFWFLSA-N 1 3 319.493 2.149 20 30 DEEDHO C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001495388553 1064874156 /nfs/dbraw/zinc/87/41/56/1064874156.db2.gz RKVKRWPCETWCEE-IAGOWNOFSA-N 1 3 307.482 2.123 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001568535575 1064947217 /nfs/dbraw/zinc/94/72/17/1064947217.db2.gz FQRVDRHVOACOAB-HZPDHXFCSA-N 1 3 309.498 2.415 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001568542140 1064954096 /nfs/dbraw/zinc/95/40/96/1064954096.db2.gz ZMMNFZDIAKHKBR-LSDHHAIUSA-N 1 3 304.438 2.101 20 30 DEEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001569386058 1065482634 /nfs/dbraw/zinc/48/26/34/1065482634.db2.gz IYGASXUBDZCEMX-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN1C[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001569920497 1065824033 /nfs/dbraw/zinc/82/40/33/1065824033.db2.gz QXTREOWRIUUURN-GVDBMIGSSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCCC[NH+]1CCC2(CN(C(=O)CN(C)CCC)C2)CC1 ZINC001570056167 1065905564 /nfs/dbraw/zinc/90/55/64/1065905564.db2.gz GLHXCMWNUVPFTE-UHFFFAOYSA-N 1 3 307.482 2.219 20 30 DEEDHO CC#CC[N@H+]1CCC[C@H](NC(=O)CN(C)CCCCCC)CC1 ZINC001570184940 1065960477 /nfs/dbraw/zinc/96/04/77/1065960477.db2.gz BAKCQUYLKQITKM-SFHVURJKSA-N 1 3 321.509 2.493 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@H](NC(=O)CN(C)CCCCCC)CC1 ZINC001570184940 1065960485 /nfs/dbraw/zinc/96/04/85/1065960485.db2.gz BAKCQUYLKQITKM-SFHVURJKSA-N 1 3 321.509 2.493 20 30 DEEDHO C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001499370849 1067199757 /nfs/dbraw/zinc/19/97/57/1067199757.db2.gz CQRALZBSTIFYTK-MRXNPFEDSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CCC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC ZINC001483615251 1078628032 /nfs/dbraw/zinc/62/80/32/1078628032.db2.gz LLJQKDWWNXIREW-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001571118717 1068183143 /nfs/dbraw/zinc/18/31/43/1068183143.db2.gz XKKXKKYXFVUCNU-ULQDDVLXSA-N 1 3 307.482 2.310 20 30 DEEDHO C#CCC[NH2+][C@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CC1(C)C ZINC001571565297 1068423663 /nfs/dbraw/zinc/42/36/63/1068423663.db2.gz WBWLMFQAZKSMNE-SJORKVTESA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001267293144 1078739661 /nfs/dbraw/zinc/73/96/61/1078739661.db2.gz MNMHDLRKPWFTAK-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001267293144 1078739667 /nfs/dbraw/zinc/73/96/67/1078739667.db2.gz MNMHDLRKPWFTAK-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO CCCCCCC[N@@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001272477701 1078912227 /nfs/dbraw/zinc/91/22/27/1078912227.db2.gz AFHYQBHQWDPEKP-SFHVURJKSA-N 1 3 309.498 2.443 20 30 DEEDHO CCCCCCC[N@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001272477701 1078912232 /nfs/dbraw/zinc/91/22/32/1078912232.db2.gz AFHYQBHQWDPEKP-SFHVURJKSA-N 1 3 309.498 2.443 20 30 DEEDHO C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001566878166 1075371755 /nfs/dbraw/zinc/37/17/55/1075371755.db2.gz NBSVGMBQECXAMI-QZTJIDSGSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001566878166 1075371758 /nfs/dbraw/zinc/37/17/58/1075371758.db2.gz NBSVGMBQECXAMI-QZTJIDSGSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001566966333 1075403019 /nfs/dbraw/zinc/40/30/19/1075403019.db2.gz UFNQJXCYUDWBIB-JKSUJKDBSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001566966333 1075403022 /nfs/dbraw/zinc/40/30/22/1075403022.db2.gz UFNQJXCYUDWBIB-JKSUJKDBSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCCC[N@@H+](C)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001267745679 1079445483 /nfs/dbraw/zinc/44/54/83/1079445483.db2.gz BDOPVGSAIMSCTH-QGZVFWFLSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCCC[N@H+](C)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001267745679 1079445488 /nfs/dbraw/zinc/44/54/88/1079445488.db2.gz BDOPVGSAIMSCTH-QGZVFWFLSA-N 1 3 321.509 2.465 20 30 DEEDHO CC(C)(C)N1CCC([NH2+]CCNc2ncccc2C#N)CC1 ZINC001653287939 1079923971 /nfs/dbraw/zinc/92/39/71/1079923971.db2.gz MCMZMYGJXVKWSQ-UHFFFAOYSA-N 1 3 301.438 2.218 20 30 DEEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001485045473 1079928474 /nfs/dbraw/zinc/92/84/74/1079928474.db2.gz YRRSXYVTTWWMLU-IEBWSBKVSA-N 1 3 315.461 2.276 20 30 DEEDHO C=C(C)C[N@H+](CC)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001485034351 1079929578 /nfs/dbraw/zinc/92/95/78/1079929578.db2.gz XAOSKBPUUNFOGW-UHFFFAOYSA-N 1 3 309.498 2.463 20 30 DEEDHO C=C(C)C[N@@H+](CC)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001485034351 1079929586 /nfs/dbraw/zinc/92/95/86/1079929586.db2.gz XAOSKBPUUNFOGW-UHFFFAOYSA-N 1 3 309.498 2.463 20 30 DEEDHO C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481489335 1079947429 /nfs/dbraw/zinc/94/74/29/1079947429.db2.gz PKXLNUFMMITTSY-IRXDYDNUSA-N 1 3 309.498 2.319 20 30 DEEDHO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481489335 1079947435 /nfs/dbraw/zinc/94/74/35/1079947435.db2.gz PKXLNUFMMITTSY-IRXDYDNUSA-N 1 3 309.498 2.319 20 30 DEEDHO C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001268173973 1080164272 /nfs/dbraw/zinc/16/42/72/1080164272.db2.gz GOOVSDKAPGCNCF-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001494054526 1080371105 /nfs/dbraw/zinc/37/11/05/1080371105.db2.gz KMNPSTYBGUGCIQ-IAGOWNOFSA-N 1 3 307.482 2.123 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001494054526 1080371116 /nfs/dbraw/zinc/37/11/16/1080371116.db2.gz KMNPSTYBGUGCIQ-IAGOWNOFSA-N 1 3 307.482 2.123 20 30 DEEDHO CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001485740143 1080402295 /nfs/dbraw/zinc/40/22/95/1080402295.db2.gz HYQVTDYIMRZOLD-SJORKVTESA-N 1 3 307.482 2.147 20 30 DEEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(CC)CC)C1 ZINC001099539149 1080464819 /nfs/dbraw/zinc/46/48/19/1080464819.db2.gz ZJIIKLWMTNWINW-XSLAGTTESA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(CC)CC)C1 ZINC001099539149 1080464821 /nfs/dbraw/zinc/46/48/21/1080464821.db2.gz ZJIIKLWMTNWINW-XSLAGTTESA-N 1 3 319.493 2.073 20 30 DEEDHO C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001664677398 1080940348 /nfs/dbraw/zinc/94/03/48/1080940348.db2.gz ADYAVHMFAXAHAM-OKZBNKHCSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001664677398 1080940353 /nfs/dbraw/zinc/94/03/53/1080940353.db2.gz ADYAVHMFAXAHAM-OKZBNKHCSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)CN2CC[C@H](C)C2)C1 ZINC001665731375 1081072462 /nfs/dbraw/zinc/07/24/62/1081072462.db2.gz LFZWVEXMUFAANN-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)CN2CC[C@H](C)C2)C1 ZINC001665731375 1081072468 /nfs/dbraw/zinc/07/24/68/1081072468.db2.gz LFZWVEXMUFAANN-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CN(C)CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001667648195 1081271759 /nfs/dbraw/zinc/27/17/59/1081271759.db2.gz YCRGLMIYRVIHFT-UHFFFAOYSA-N 1 3 307.482 2.075 20 30 DEEDHO C#CC[N@@H+](CCNC(=O)CN(C)C1CCC1)C1CCCCCC1 ZINC001269611577 1081309646 /nfs/dbraw/zinc/30/96/46/1081309646.db2.gz MXVCCBALIFWRCZ-UHFFFAOYSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CC[N@H+](CCNC(=O)CN(C)C1CCC1)C1CCCCCC1 ZINC001269611577 1081309652 /nfs/dbraw/zinc/30/96/52/1081309652.db2.gz MXVCCBALIFWRCZ-UHFFFAOYSA-N 1 3 319.493 2.245 20 30 DEEDHO C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001668321109 1081341286 /nfs/dbraw/zinc/34/12/86/1081341286.db2.gz WRQUUJMURYLQHE-ZIAGYGMSSA-N 1 3 301.862 2.098 20 30 DEEDHO C=CCCN1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001266251637 1081917941 /nfs/dbraw/zinc/91/79/41/1081917941.db2.gz DTNNUOAYKIEJPF-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001266513973 1082095580 /nfs/dbraw/zinc/09/55/80/1082095580.db2.gz JTJRODFFMVJMTI-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001266513973 1082095588 /nfs/dbraw/zinc/09/55/88/1082095588.db2.gz JTJRODFFMVJMTI-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001283297351 1082469217 /nfs/dbraw/zinc/46/92/17/1082469217.db2.gz XZTLMYSIBMIIOA-NVXWUHKLSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001283297351 1082469220 /nfs/dbraw/zinc/46/92/20/1082469220.db2.gz XZTLMYSIBMIIOA-NVXWUHKLSA-N 1 3 307.482 2.358 20 30 DEEDHO C#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCCCN1C(C)C)C(C)C ZINC001277592274 1084048261 /nfs/dbraw/zinc/04/82/61/1084048261.db2.gz XZHUYLDDCCQHBB-SJORKVTESA-N 1 3 307.482 2.003 20 30 DEEDHO C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001486129614 1085078776 /nfs/dbraw/zinc/07/87/76/1085078776.db2.gz NKVBHEJKDVOUJL-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963366076 1086427770 /nfs/dbraw/zinc/42/77/70/1086427770.db2.gz JEEWSJYUBOVHFO-DOTOQJQBSA-N 1 3 316.449 2.231 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963366076 1086427774 /nfs/dbraw/zinc/42/77/74/1086427774.db2.gz JEEWSJYUBOVHFO-DOTOQJQBSA-N 1 3 316.449 2.231 20 30 DEEDHO C=C(C)CN1C[C@]2(CC1=O)CCCCN2C[C@@H]1CCC[N@@H+](C)C1 ZINC001273143220 1086664630 /nfs/dbraw/zinc/66/46/30/1086664630.db2.gz DEJXMMURIBEQHY-IEBWSBKVSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CN1C[C@]2(CC1=O)CCCCN2C[C@@H]1CCC[N@H+](C)C1 ZINC001273143220 1086664634 /nfs/dbraw/zinc/66/46/34/1086664634.db2.gz DEJXMMURIBEQHY-IEBWSBKVSA-N 1 3 319.493 2.361 20 30 DEEDHO C[NH+]1CCC(CN2CCN(Cc3ccccc3C#N)CC2)CC1 ZINC001204372315 1088633239 /nfs/dbraw/zinc/63/32/39/1088633239.db2.gz BRKDAAGUNMHMIM-UHFFFAOYSA-N 1 3 312.461 2.018 20 30 DEEDHO CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001114835711 1088962786 /nfs/dbraw/zinc/96/27/86/1088962786.db2.gz OUQXCKZKJITSLK-VXNCWWDNSA-N 1 3 321.509 2.345 20 30 DEEDHO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001114835711 1088962790 /nfs/dbraw/zinc/96/27/90/1088962790.db2.gz OUQXCKZKJITSLK-VXNCWWDNSA-N 1 3 321.509 2.345 20 30 DEEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001080456174 1088968428 /nfs/dbraw/zinc/96/84/28/1088968428.db2.gz RDWRDPJPGNDJLL-CRAIPNDOSA-N 1 3 315.461 2.027 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114840423 1089028792 /nfs/dbraw/zinc/02/87/92/1089028792.db2.gz KLZMGOJWHIOXBY-LISAXSMJSA-N 1 3 321.509 2.365 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114840423 1089028807 /nfs/dbraw/zinc/02/88/07/1089028807.db2.gz KLZMGOJWHIOXBY-LISAXSMJSA-N 1 3 321.509 2.365 20 30 DEEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001080999723 1089272680 /nfs/dbraw/zinc/27/26/80/1089272680.db2.gz FOZVCKJAZWQOBA-CRAIPNDOSA-N 1 3 315.461 2.374 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001080999723 1089272692 /nfs/dbraw/zinc/27/26/92/1089272692.db2.gz FOZVCKJAZWQOBA-CRAIPNDOSA-N 1 3 315.461 2.374 20 30 DEEDHO C=CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001084476378 1090308402 /nfs/dbraw/zinc/30/84/02/1090308402.db2.gz WAORNWKAMTXAKG-FGTMMUONSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001084476378 1090308405 /nfs/dbraw/zinc/30/84/05/1090308405.db2.gz WAORNWKAMTXAKG-FGTMMUONSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCCN1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853208 1090476466 /nfs/dbraw/zinc/47/64/66/1090476466.db2.gz VPPBSVUUQJJPHB-KZNAEPCWSA-N 1 3 319.493 2.216 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3CCC)C[C@@H]21 ZINC001084953533 1090543602 /nfs/dbraw/zinc/54/36/02/1090543602.db2.gz SJMWAGKOGQSGDB-KURKYZTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3CCC)C[C@@H]21 ZINC001084953533 1090543607 /nfs/dbraw/zinc/54/36/07/1090543607.db2.gz SJMWAGKOGQSGDB-KURKYZTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001410319071 1090549606 /nfs/dbraw/zinc/54/96/06/1090549606.db2.gz XQRNPGYHGDYACP-CABCVRRESA-N 1 3 315.889 2.152 20 30 DEEDHO C=CCC[NH2+]C/C=C/CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001274369464 1091210998 /nfs/dbraw/zinc/21/09/98/1091210998.db2.gz QMNDMMPBUACVBW-OZSKJFCKSA-N 1 3 311.445 2.037 20 30 DEEDHO C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCCN1C(C)C ZINC001274412534 1091230852 /nfs/dbraw/zinc/23/08/52/1091230852.db2.gz GUAUBQSKJWWEBE-JTGQJZMRSA-N 1 3 307.482 2.478 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001274434308 1091242680 /nfs/dbraw/zinc/24/26/80/1091242680.db2.gz CZLVBZIFBSILOP-MRXNPFEDSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001274434308 1091242684 /nfs/dbraw/zinc/24/26/84/1091242684.db2.gz CZLVBZIFBSILOP-MRXNPFEDSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001275144330 1091581719 /nfs/dbraw/zinc/58/17/19/1091581719.db2.gz XVLCRUOQSCZICZ-DLBZAZTESA-N 1 3 309.498 2.462 20 30 DEEDHO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001275144330 1091581726 /nfs/dbraw/zinc/58/17/26/1091581726.db2.gz XVLCRUOQSCZICZ-DLBZAZTESA-N 1 3 309.498 2.462 20 30 DEEDHO C=CCCC[NH2+]C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001275309917 1091663893 /nfs/dbraw/zinc/66/38/93/1091663893.db2.gz QTWMZAKPHXCZAV-WMLDXEAASA-N 1 3 313.461 2.259 20 30 DEEDHO C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001275928560 1092324080 /nfs/dbraw/zinc/32/40/80/1092324080.db2.gz OCIGKKRDIVAGMZ-WMLDXEAASA-N 1 3 313.461 2.212 20 30 DEEDHO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001275928560 1092324089 /nfs/dbraw/zinc/32/40/89/1092324089.db2.gz OCIGKKRDIVAGMZ-WMLDXEAASA-N 1 3 313.461 2.212 20 30 DEEDHO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001275928559 1092325043 /nfs/dbraw/zinc/32/50/43/1092325043.db2.gz OCIGKKRDIVAGMZ-RHSMWYFYSA-N 1 3 313.461 2.212 20 30 DEEDHO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001275928559 1092325055 /nfs/dbraw/zinc/32/50/55/1092325055.db2.gz OCIGKKRDIVAGMZ-RHSMWYFYSA-N 1 3 313.461 2.212 20 30 DEEDHO C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001488915964 1092815637 /nfs/dbraw/zinc/81/56/37/1092815637.db2.gz LPZYDNODFJCBNN-JKSUJKDBSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001488993085 1092872098 /nfs/dbraw/zinc/87/20/98/1092872098.db2.gz VXVXOPSTKMTYJP-NVXWUHKLSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001319786768 1140714956 /nfs/dbraw/zinc/71/49/56/1140714956.db2.gz BOCOZLCIWQXZPZ-HNNXBMFYSA-N 1 3 315.889 2.442 20 30 DEEDHO C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001319786768 1140714962 /nfs/dbraw/zinc/71/49/62/1140714962.db2.gz BOCOZLCIWQXZPZ-HNNXBMFYSA-N 1 3 315.889 2.442 20 30 DEEDHO C#CCN1CCC2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001323832222 1141891142 /nfs/dbraw/zinc/89/11/42/1141891142.db2.gz LUZBSYYGMUEYNN-KRWDZBQOSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001323860715 1141894346 /nfs/dbraw/zinc/89/43/46/1141894346.db2.gz UNNDZHWOWJOUIK-PKOBYXMFSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001323860715 1141894348 /nfs/dbraw/zinc/89/43/48/1141894348.db2.gz UNNDZHWOWJOUIK-PKOBYXMFSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CC[NH2+]C[C@@]1(C)CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001278582959 1142241915 /nfs/dbraw/zinc/24/19/15/1142241915.db2.gz SMHYWYFZMGODPS-LJQANCHMSA-N 1 3 315.461 2.376 20 30 DEEDHO C=C[C@](C)(O)C[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001252552531 1142760136 /nfs/dbraw/zinc/76/01/36/1142760136.db2.gz XKFFASVYKZBENP-SFHVURJKSA-N 1 3 315.461 2.307 20 30 DEEDHO CN1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254635631 1143290884 /nfs/dbraw/zinc/29/08/84/1143290884.db2.gz HFZCWYBDOKLHLS-QFBILLFUSA-N 1 3 312.461 2.216 20 30 DEEDHO CN1CCN(Cc2ccccc2C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254635629 1143292814 /nfs/dbraw/zinc/29/28/14/1143292814.db2.gz HFZCWYBDOKLHLS-APWZRJJASA-N 1 3 312.461 2.216 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001258727253 1144036023 /nfs/dbraw/zinc/03/60/23/1144036023.db2.gz CXKZDEOMQXVIAG-NCOADZHNSA-N 1 3 303.454 2.027 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001258727253 1144036025 /nfs/dbraw/zinc/03/60/25/1144036025.db2.gz CXKZDEOMQXVIAG-NCOADZHNSA-N 1 3 303.454 2.027 20 30 DEEDHO C=CCCC[C@@H](N)C(=O)N1CCCc2cc(CC[NH3+])ccc21 ZINC001263259137 1144363886 /nfs/dbraw/zinc/36/38/86/1144363886.db2.gz OGLSXILVRIRZTG-MRXNPFEDSA-N 1 3 301.434 2.151 20 30 DEEDHO CC#CC[NH2+][C@@H](CCN(C)C(=O)CN1CCC(C)CC1)C(C)C ZINC001282567162 1145087923 /nfs/dbraw/zinc/08/79/23/1145087923.db2.gz HDFWILJFQCODPN-SFHVURJKSA-N 1 3 321.509 2.204 20 30 DEEDHO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](F)CN(CC)CC ZINC001282667256 1145117957 /nfs/dbraw/zinc/11/79/57/1145117957.db2.gz PHOOMLPDRXMQJM-HOTGVXAUSA-N 1 3 313.461 2.213 20 30 DEEDHO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](F)CN(CC)CC ZINC001282667256 1145117966 /nfs/dbraw/zinc/11/79/66/1145117966.db2.gz PHOOMLPDRXMQJM-HOTGVXAUSA-N 1 3 313.461 2.213 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)CCC)C[C@@]2(C)C1 ZINC001282996174 1145229470 /nfs/dbraw/zinc/22/94/70/1145229470.db2.gz KCDMEKPIBVGRAL-HDICACEKSA-N 1 3 307.482 2.075 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)CCC)C[C@@]2(C)C1 ZINC001282996174 1145229477 /nfs/dbraw/zinc/22/94/77/1145229477.db2.gz KCDMEKPIBVGRAL-HDICACEKSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CC[NH2+]Cc1ccc(CNC(=O)C2(N(C)C)CCC2)c(F)c1 ZINC001285004278 1146006535 /nfs/dbraw/zinc/00/65/35/1146006535.db2.gz MESPYDUVHZNONR-UHFFFAOYSA-N 1 3 319.424 2.202 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001366424581 1147264733 /nfs/dbraw/zinc/26/47/33/1147264733.db2.gz HBUJSMDOMTXXJF-UONOGXRCSA-N 1 3 301.862 2.096 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001366424570 1147265217 /nfs/dbraw/zinc/26/52/17/1147265217.db2.gz HBUJSMDOMTXXJF-KBPBESRZSA-N 1 3 301.862 2.096 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)C[C@@H]2C1 ZINC001316758925 1147594778 /nfs/dbraw/zinc/59/47/78/1147594778.db2.gz QOPCDJSGGSVKBG-KSZLIROESA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)C[C@@H]2C1 ZINC001316758925 1147594783 /nfs/dbraw/zinc/59/47/83/1147594783.db2.gz QOPCDJSGGSVKBG-KSZLIROESA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001317046238 1147652807 /nfs/dbraw/zinc/65/28/07/1147652807.db2.gz ZHVIFDNLFNIBJY-IAGOWNOFSA-N 1 3 309.498 2.319 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001317046238 1147652809 /nfs/dbraw/zinc/65/28/09/1147652809.db2.gz ZHVIFDNLFNIBJY-IAGOWNOFSA-N 1 3 309.498 2.319 20 30 DEEDHO C=C(Cl)CN1CCC[C@H]1CCCNC(=O)CC[NH+](C)C ZINC001317434518 1147707647 /nfs/dbraw/zinc/70/76/47/1147707647.db2.gz JCJVMLDMXUPZFE-CQSZACIVSA-N 1 3 301.862 2.051 20 30 DEEDHO C=CCCC[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001325766275 1147997057 /nfs/dbraw/zinc/99/70/57/1147997057.db2.gz KDXZUYUEPXOPCB-HDICACEKSA-N 1 3 319.493 2.075 20 30 DEEDHO C=CCCC[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001325766275 1147997058 /nfs/dbraw/zinc/99/70/58/1147997058.db2.gz KDXZUYUEPXOPCB-HDICACEKSA-N 1 3 319.493 2.075 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001326540894 1148135697 /nfs/dbraw/zinc/13/56/97/1148135697.db2.gz OAGMYFFNOJTKIT-BRWVUGGUSA-N 1 3 309.498 2.413 20 30 DEEDHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(C#N)c1 ZINC000181467882 199301898 /nfs/dbraw/zinc/30/18/98/199301898.db2.gz CGWZPUWBWPPHLS-HNNXBMFYSA-N 1 3 300.450 2.235 20 30 DEEDHO CN(CCCC#N)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377266667 529878647 /nfs/dbraw/zinc/87/86/47/529878647.db2.gz LTEKWEOWOYSVQD-UHFFFAOYSA-N 1 3 306.498 2.418 20 30 DEEDHO CN(C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000277046031 213259924 /nfs/dbraw/zinc/25/99/24/213259924.db2.gz CCKCWHFGSVMJCK-KRWDZBQOSA-N 1 3 314.433 2.303 20 30 DEEDHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000277046031 213259926 /nfs/dbraw/zinc/25/99/26/213259926.db2.gz CCKCWHFGSVMJCK-KRWDZBQOSA-N 1 3 314.433 2.303 20 30 DEEDHO C=CCCCNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000581953069 357275358 /nfs/dbraw/zinc/27/53/58/357275358.db2.gz DNWIHHKRZVDLMZ-UHFFFAOYSA-N 1 3 307.482 2.265 20 30 DEEDHO CN1CCC(N2CC[C@@H]([NH2+][C@@H]3CCc4ccc(C#N)cc43)C2)CC1 ZINC000589341647 357465782 /nfs/dbraw/zinc/46/57/82/357465782.db2.gz CBXBJHRGDOCDAZ-YLJYHZDGSA-N 1 3 324.472 2.304 20 30 DEEDHO N#Cc1ccc(CCN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000595893102 358574233 /nfs/dbraw/zinc/57/42/33/358574233.db2.gz PFEIHUYLBVSICR-RBUKOAKNSA-N 1 3 313.445 2.319 20 30 DEEDHO CN(C)CCOc1cccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)c1 ZINC000598719819 359304086 /nfs/dbraw/zinc/30/40/86/359304086.db2.gz JHCYVKUGJZIIDP-MRXNPFEDSA-N 1 3 319.449 2.017 20 30 DEEDHO CN(CCCC[NH+](C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000619376547 363775061 /nfs/dbraw/zinc/77/50/61/363775061.db2.gz BHDWVUVWRLELEV-KRWDZBQOSA-N 1 3 312.417 2.041 20 30 DEEDHO N#Cc1cccc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000268953760 207119752 /nfs/dbraw/zinc/11/97/52/207119752.db2.gz FPENTORKPFHHDB-RTBURBONSA-N 1 3 313.445 2.416 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)C(C)C ZINC000236667033 402372691 /nfs/dbraw/zinc/37/26/91/402372691.db2.gz HIMOSHODQBGTOE-SJORKVTESA-N 1 3 319.493 2.191 20 30 DEEDHO C[NH+](C)C1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCC1 ZINC000280801598 403038500 /nfs/dbraw/zinc/03/85/00/403038500.db2.gz LVOXLGAUENGYKL-KRWDZBQOSA-N 1 3 324.428 2.231 20 30 DEEDHO CC(C)c1cccc(NC(=[NH2+])NCCCN(C)CCN(C)C)c1 ZINC000288633552 403760455 /nfs/dbraw/zinc/76/04/55/403760455.db2.gz BJVLKUWUCDKQRO-UHFFFAOYSA-N 1 3 319.497 2.420 20 30 DEEDHO CCN(CC)[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)c1ccsc1 ZINC000424126953 405015709 /nfs/dbraw/zinc/01/57/09/405015709.db2.gz CIVQDZWMSRDSFM-LSDHHAIUSA-N 1 3 322.478 2.268 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)C(C)C ZINC000417059881 405023582 /nfs/dbraw/zinc/02/35/82/405023582.db2.gz IXWMQLVAMBWAQW-GVDBMIGSSA-N 1 3 322.497 2.064 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H]1C[NH2+]C)C(C)C ZINC000417063859 405024920 /nfs/dbraw/zinc/02/49/20/405024920.db2.gz NWVGEJGFBZDHQV-IRXDYDNUSA-N 1 3 322.497 2.078 20 30 DEEDHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H](N)CCCC#N)c1 ZINC000424157163 405025489 /nfs/dbraw/zinc/02/54/89/405025489.db2.gz PKXCWAZFXHGCLT-KRWDZBQOSA-N 1 3 316.449 2.164 20 30 DEEDHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](N)CCCC#N)c1 ZINC000424157163 405025491 /nfs/dbraw/zinc/02/54/91/405025491.db2.gz PKXCWAZFXHGCLT-KRWDZBQOSA-N 1 3 316.449 2.164 20 30 DEEDHO N#CCCC[C@H](N)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000424079577 404998044 /nfs/dbraw/zinc/99/80/44/404998044.db2.gz RHVVLSZJDLTHHD-INIZCTEOSA-N 1 3 320.481 2.313 20 30 DEEDHO C=CCN1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000439844178 405294283 /nfs/dbraw/zinc/29/42/83/405294283.db2.gz TZFYNSURQWYMFK-QGZVFWFLSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCN1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000439844178 405294285 /nfs/dbraw/zinc/29/42/85/405294285.db2.gz TZFYNSURQWYMFK-QGZVFWFLSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CCCCC[NH2+]1)C(C)C ZINC000515654270 406074505 /nfs/dbraw/zinc/07/45/05/406074505.db2.gz KTXGJEIPMARVRQ-SJORKVTESA-N 1 3 307.482 2.333 20 30 DEEDHO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000527163117 406590931 /nfs/dbraw/zinc/59/09/31/406590931.db2.gz RNLMMDHRFGUQER-QZTJIDSGSA-N 1 3 324.428 2.087 20 30 DEEDHO CC(C)[N@H+]1CC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000527163117 406590937 /nfs/dbraw/zinc/59/09/37/406590937.db2.gz RNLMMDHRFGUQER-QZTJIDSGSA-N 1 3 324.428 2.087 20 30 DEEDHO C=C(C)C[NH+]1CCC(NC(=O)N(CCC)[C@@H]2CCN(C)C2)CC1 ZINC000645264952 407255815 /nfs/dbraw/zinc/25/58/15/407255815.db2.gz QDRXSLLKIGGUTP-QGZVFWFLSA-N 1 3 322.497 2.153 20 30 DEEDHO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)C1 ZINC000651746389 425145639 /nfs/dbraw/zinc/14/56/39/425145639.db2.gz PELHMKQPQMDRSH-ZACQAIPSSA-N 1 3 309.498 2.413 20 30 DEEDHO C=CCC1([NH2+]CC(=O)NC2CCN(C3CC3)CC2)CCCC1 ZINC000661847954 425514034 /nfs/dbraw/zinc/51/40/34/425514034.db2.gz GHDWPTDAGLFDQZ-UHFFFAOYSA-N 1 3 305.466 2.208 20 30 DEEDHO C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665762544 425639883 /nfs/dbraw/zinc/63/98/83/425639883.db2.gz ICFAJSDVTVYMRW-JKSUJKDBSA-N 1 3 310.486 2.009 20 30 DEEDHO C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665762544 425639885 /nfs/dbraw/zinc/63/98/85/425639885.db2.gz ICFAJSDVTVYMRW-JKSUJKDBSA-N 1 3 310.486 2.009 20 30 DEEDHO C=CC[C@]1(C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)CCC[NH2+]1 ZINC000662695976 425715163 /nfs/dbraw/zinc/71/51/63/425715163.db2.gz RSJINNMWRNHOKJ-YFHUEUNASA-N 1 3 307.482 2.167 20 30 DEEDHO C=C(Cl)CNC[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001378930291 1152495051 /nfs/dbraw/zinc/49/50/51/1152495051.db2.gz WJOGQRZEQUFGJD-DZGCQCFKSA-N 1 3 315.889 2.297 20 30 DEEDHO C=C(Cl)CNC[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001378930291 1152495054 /nfs/dbraw/zinc/49/50/54/1152495054.db2.gz WJOGQRZEQUFGJD-DZGCQCFKSA-N 1 3 315.889 2.297 20 30 DEEDHO C[NH+]=C(NCC1CCOCC1)NCC1(N(C)C)CCCCCC1 ZINC000262767654 526352810 /nfs/dbraw/zinc/35/28/10/526352810.db2.gz GSQGTCVHKBIRPX-UHFFFAOYSA-N 1 3 324.513 2.233 20 30 DEEDHO CCNC(=[NH2+])NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000267429228 528942214 /nfs/dbraw/zinc/94/22/14/528942214.db2.gz MGTFVRQWPRFIHI-UHFFFAOYSA-N 1 3 308.857 2.476 20 30 DEEDHO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001024436909 625770173 /nfs/dbraw/zinc/77/01/73/625770173.db2.gz JZFBHCGFBUEBFH-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001024436909 625770179 /nfs/dbraw/zinc/77/01/79/625770179.db2.gz JZFBHCGFBUEBFH-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[C@H]1C ZINC000947615269 625864423 /nfs/dbraw/zinc/86/44/23/625864423.db2.gz HBSWICWKWCJMDU-HZPDHXFCSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[C@H]1C ZINC000947615269 625864427 /nfs/dbraw/zinc/86/44/27/625864427.db2.gz HBSWICWKWCJMDU-HZPDHXFCSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CN1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974598373 633173548 /nfs/dbraw/zinc/17/35/48/633173548.db2.gz HFTFXWRWHPNYOQ-XHSDSOJGSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)CN1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974598373 633173549 /nfs/dbraw/zinc/17/35/49/633173549.db2.gz HFTFXWRWHPNYOQ-XHSDSOJGSA-N 1 3 307.482 2.119 20 30 DEEDHO C#CCCN1C[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974686889 633236080 /nfs/dbraw/zinc/23/60/80/633236080.db2.gz YJRKMNUVAXDHDJ-IRXDYDNUSA-N 1 3 319.493 2.099 20 30 DEEDHO C#CCCN1C[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974686889 633236096 /nfs/dbraw/zinc/23/60/96/633236096.db2.gz YJRKMNUVAXDHDJ-IRXDYDNUSA-N 1 3 319.493 2.099 20 30 DEEDHO C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC000997588037 633887807 /nfs/dbraw/zinc/88/78/07/633887807.db2.gz URCXDKVPMMRKHL-DOTOQJQBSA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000980479170 635016841 /nfs/dbraw/zinc/01/68/41/635016841.db2.gz UEMCYFKYOLXVPJ-KRWDZBQOSA-N 1 3 315.461 2.471 20 30 DEEDHO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000980479170 635016845 /nfs/dbraw/zinc/01/68/45/635016845.db2.gz UEMCYFKYOLXVPJ-KRWDZBQOSA-N 1 3 315.461 2.471 20 30 DEEDHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1csc(C#N)c1)C2 ZINC000922384562 636151414 /nfs/dbraw/zinc/15/14/14/636151414.db2.gz DFXUSAMUWSPCJC-QBPKDAKJSA-N 1 3 319.474 2.189 20 30 DEEDHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1csc(C#N)c1)C2 ZINC000922384562 636151416 /nfs/dbraw/zinc/15/14/16/636151416.db2.gz DFXUSAMUWSPCJC-QBPKDAKJSA-N 1 3 319.474 2.189 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001004575212 636490081 /nfs/dbraw/zinc/49/00/81/636490081.db2.gz BAEKESVPISBZQB-KRWDZBQOSA-N 1 3 316.449 2.231 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001004575212 636490082 /nfs/dbraw/zinc/49/00/82/636490082.db2.gz BAEKESVPISBZQB-KRWDZBQOSA-N 1 3 316.449 2.231 20 30 DEEDHO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000989825579 641248675 /nfs/dbraw/zinc/24/86/75/641248675.db2.gz HRXBSGFHDXJMAX-RHSMWYFYSA-N 1 3 301.434 2.127 20 30 DEEDHO C=CCN(Cc1ccc(OC)cc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722521 643438996 /nfs/dbraw/zinc/43/89/96/643438996.db2.gz MAFQYMPBIMMYMY-MOPGFXCFSA-N 1 3 316.445 2.452 20 30 DEEDHO Cc1c(C[C@H](C[NH3+])CN[C@H](C)c2cccc(C#N)c2)cnn1C ZINC000903950821 643526787 /nfs/dbraw/zinc/52/67/87/643526787.db2.gz RNFXNHZVCFXXIN-CZUORRHYSA-N 1 3 311.433 2.068 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC000913100096 646269120 /nfs/dbraw/zinc/26/91/20/646269120.db2.gz PMWUPVBDOGKSSI-MAUKXSAKSA-N 1 3 315.461 2.131 20 30 DEEDHO COc1ccccc1CNC(=[NH2+])NCC(C)(C)N1CCCCC1 ZINC000170906375 646674600 /nfs/dbraw/zinc/67/46/00/646674600.db2.gz WHVGMWOGXSPMSX-UHFFFAOYSA-N 1 3 318.465 2.364 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945092268 649611413 /nfs/dbraw/zinc/61/14/13/649611413.db2.gz QCZOEXONTYFAGN-CRAIPNDOSA-N 1 3 315.461 2.374 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945092268 649611414 /nfs/dbraw/zinc/61/14/14/649611414.db2.gz QCZOEXONTYFAGN-CRAIPNDOSA-N 1 3 315.461 2.374 20 30 DEEDHO C=CCOc1ccc(CNC(=[NH2+])NC[C@@H]2CCCN2CC)cc1 ZINC000849026932 651586940 /nfs/dbraw/zinc/58/69/40/651586940.db2.gz NIILVPHYAAHXBB-INIZCTEOSA-N 1 3 316.449 2.350 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054197909 693878676 /nfs/dbraw/zinc/87/86/76/693878676.db2.gz LNUKSHSIIQTEKC-MJGOQNOKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054197909 693878680 /nfs/dbraw/zinc/87/86/80/693878680.db2.gz LNUKSHSIIQTEKC-MJGOQNOKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054197884 693879228 /nfs/dbraw/zinc/87/92/28/693879228.db2.gz KVMVPRJCVKDBAY-PKOBYXMFSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054197884 693879231 /nfs/dbraw/zinc/87/92/31/693879231.db2.gz KVMVPRJCVKDBAY-PKOBYXMFSA-N 1 3 319.493 2.219 20 30 DEEDHO C[C@@H](CNC(=[NH2+])NCCc1ccccc1)N1CCCC[C@@H]1C ZINC000303877669 685236277 /nfs/dbraw/zinc/23/62/77/685236277.db2.gz FMYSXLPBUNEIHA-HOTGVXAUSA-N 1 3 302.466 2.396 20 30 DEEDHO CCN(CC)[C@@H](C[NH+]=C(N(C)C)N(C)C)Cc1ccccc1 ZINC000303901266 685238900 /nfs/dbraw/zinc/23/89/00/685238900.db2.gz SPCNHMISKOXROY-QGZVFWFLSA-N 1 3 304.482 2.419 20 30 DEEDHO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000866590243 687622646 /nfs/dbraw/zinc/62/26/46/687622646.db2.gz PHALOJXRIVIWQP-MRXNPFEDSA-N 1 3 312.461 2.331 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001016618217 687666120 /nfs/dbraw/zinc/66/61/20/687666120.db2.gz QUBVPJIYPULHBN-HZPDHXFCSA-N 1 3 305.466 2.016 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001033825588 689627995 /nfs/dbraw/zinc/62/79/95/689627995.db2.gz FPPNHQBFHDUGDJ-IRXDYDNUSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001033825588 689628000 /nfs/dbraw/zinc/62/80/00/689628000.db2.gz FPPNHQBFHDUGDJ-IRXDYDNUSA-N 1 3 307.482 2.358 20 30 DEEDHO C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001034439261 689851127 /nfs/dbraw/zinc/85/11/27/689851127.db2.gz SSRAQDNSZFCMRK-MSOLQXFVSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001034439261 689851131 /nfs/dbraw/zinc/85/11/31/689851131.db2.gz SSRAQDNSZFCMRK-MSOLQXFVSA-N 1 3 319.493 2.245 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000876723815 689915825 /nfs/dbraw/zinc/91/58/25/689915825.db2.gz XVRZEMCPDUDVSE-KGLIPLIRSA-N 1 3 301.862 2.083 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000876723741 689915953 /nfs/dbraw/zinc/91/59/53/689915953.db2.gz GNBGQKNMTQUSIL-INIZCTEOSA-N 1 3 321.852 2.021 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000876723741 689915955 /nfs/dbraw/zinc/91/59/55/689915955.db2.gz GNBGQKNMTQUSIL-INIZCTEOSA-N 1 3 321.852 2.021 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000876724336 689916139 /nfs/dbraw/zinc/91/61/39/689916139.db2.gz UKHKKRZKZPHNDJ-AWEZNQCLSA-N 1 3 301.862 2.037 20 30 DEEDHO C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001035794664 690178126 /nfs/dbraw/zinc/17/81/26/690178126.db2.gz IPRPFOBTLMRFOD-QGZVFWFLSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001036306746 690315940 /nfs/dbraw/zinc/31/59/40/690315940.db2.gz YMDQEUCDJZQORH-MAUKXSAKSA-N 1 3 315.461 2.374 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820582 690485969 /nfs/dbraw/zinc/48/59/69/690485969.db2.gz LHKYGCIBNGHRFR-SJORKVTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820582 690485972 /nfs/dbraw/zinc/48/59/72/690485972.db2.gz LHKYGCIBNGHRFR-SJORKVTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1CC ZINC001037925086 690641821 /nfs/dbraw/zinc/64/18/21/690641821.db2.gz JYVGBQLCMHQSCJ-HOTGVXAUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001038624896 690879237 /nfs/dbraw/zinc/87/92/37/690879237.db2.gz OWZSKTVQRGWZBF-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001038624896 690879241 /nfs/dbraw/zinc/87/92/41/690879241.db2.gz OWZSKTVQRGWZBF-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001039159453 691035473 /nfs/dbraw/zinc/03/54/73/691035473.db2.gz OHJFSZMROBODFH-ROUUACIJSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001039159453 691035475 /nfs/dbraw/zinc/03/54/75/691035475.db2.gz OHJFSZMROBODFH-ROUUACIJSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC001039301573 691077525 /nfs/dbraw/zinc/07/75/25/691077525.db2.gz KZRIOPUTGVMHAR-VHRNVKJDSA-N 1 3 302.422 2.030 20 30 DEEDHO C=CC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040391647 691241679 /nfs/dbraw/zinc/24/16/79/691241679.db2.gz QUSUAHYPOQCRNB-IBGZPJMESA-N 1 3 319.493 2.219 20 30 DEEDHO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040391647 691241682 /nfs/dbraw/zinc/24/16/82/691241682.db2.gz QUSUAHYPOQCRNB-IBGZPJMESA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001041647634 691405002 /nfs/dbraw/zinc/40/50/02/691405002.db2.gz ZUARFIPDHLYSRN-AEFFLSMTSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001041647634 691405004 /nfs/dbraw/zinc/40/50/04/691405004.db2.gz ZUARFIPDHLYSRN-AEFFLSMTSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001041675726 691408659 /nfs/dbraw/zinc/40/86/59/691408659.db2.gz RQQFFWVQBUPGHQ-IEBWSBKVSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001041675726 691408661 /nfs/dbraw/zinc/40/86/61/691408661.db2.gz RQQFFWVQBUPGHQ-IEBWSBKVSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCN1CCC(C)(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001045619198 692006507 /nfs/dbraw/zinc/00/65/07/692006507.db2.gz CFFCFWAXMKXDML-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO N#Cc1ccc(NCCN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)nc1 ZINC000925894257 693361393 /nfs/dbraw/zinc/36/13/93/693361393.db2.gz VPVVTJHYXNQNDC-ROUUACIJSA-N 1 3 321.428 2.448 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053043270 693675982 /nfs/dbraw/zinc/67/59/82/693675982.db2.gz GLWNBTCNLCBNDA-HOTGVXAUSA-N 1 3 316.449 2.089 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053043270 693675985 /nfs/dbraw/zinc/67/59/85/693675985.db2.gz GLWNBTCNLCBNDA-HOTGVXAUSA-N 1 3 316.449 2.089 20 30 DEEDHO CCN1CC[C@H]([N@H+](C)C[C@H](O)c2cccc(C#N)c2)[C@@H](C)C1 ZINC001363200718 1153265133 /nfs/dbraw/zinc/26/51/33/1153265133.db2.gz XMDOESCLKZTDMR-WBAXXEDZSA-N 1 3 301.434 2.254 20 30 DEEDHO CCN1CC[C@H]([N@@H+](C)C[C@H](O)c2cccc(C#N)c2)[C@@H](C)C1 ZINC001363200718 1153265139 /nfs/dbraw/zinc/26/51/39/1153265139.db2.gz XMDOESCLKZTDMR-WBAXXEDZSA-N 1 3 301.434 2.254 20 30 DEEDHO C=C(Cl)CNC[C@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001370963460 1155653710 /nfs/dbraw/zinc/65/37/10/1155653710.db2.gz NBCCTOTXMQWCNJ-HUUCEWRRSA-N 1 3 315.889 2.296 20 30 DEEDHO C=C(Cl)CNCC1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001424724491 1173888152 /nfs/dbraw/zinc/88/81/52/1173888152.db2.gz HNBLIOSEFHJZBE-YMAMQOFZSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CNCC1CC(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001424724491 1173888156 /nfs/dbraw/zinc/88/81/56/1173888156.db2.gz HNBLIOSEFHJZBE-YMAMQOFZSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001437836870 1180022845 /nfs/dbraw/zinc/02/28/45/1180022845.db2.gz AUWCWYJSOYZLBS-UKRRQHHQSA-N 1 3 313.873 2.050 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](NC(=O)CN2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492247 783156891 /nfs/dbraw/zinc/15/68/91/783156891.db2.gz GCJBJVCLOGZUNB-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)CN2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492247 783156900 /nfs/dbraw/zinc/15/69/00/783156900.db2.gz GCJBJVCLOGZUNB-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492248 783157460 /nfs/dbraw/zinc/15/74/60/783157460.db2.gz GCJBJVCLOGZUNB-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492248 783157463 /nfs/dbraw/zinc/15/74/63/783157463.db2.gz GCJBJVCLOGZUNB-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCC[NH2+]C1(CNC(=O)C(C)(C)N(C)CC)CCCCC1 ZINC001115601777 777310912 /nfs/dbraw/zinc/31/09/12/777310912.db2.gz QTMZWZHIBVDHSI-UHFFFAOYSA-N 1 3 307.482 2.149 20 30 DEEDHO C=CCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104832748 778203999 /nfs/dbraw/zinc/20/39/99/778203999.db2.gz RERXWRRFRFYSFB-QZTJIDSGSA-N 1 3 321.509 2.369 20 30 DEEDHO C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001104936388 778264176 /nfs/dbraw/zinc/26/41/76/778264176.db2.gz QZHHSDDXPJTIJA-UKRRQHHQSA-N 1 3 315.889 2.155 20 30 DEEDHO C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105064313 778320278 /nfs/dbraw/zinc/32/02/78/778320278.db2.gz JAKSFTYRMYZYHL-UKRRQHHQSA-N 1 3 315.889 2.153 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001088424669 780106771 /nfs/dbraw/zinc/10/67/71/780106771.db2.gz CLDZQDXHFCPINF-HUUCEWRRSA-N 1 3 313.873 2.051 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001088424669 780106775 /nfs/dbraw/zinc/10/67/75/780106775.db2.gz CLDZQDXHFCPINF-HUUCEWRRSA-N 1 3 313.873 2.051 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H]1C ZINC001088692931 780828418 /nfs/dbraw/zinc/82/84/18/780828418.db2.gz DSVXJJJLNPBRPB-IKGGRYGDSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H]1C ZINC001088692931 780828424 /nfs/dbraw/zinc/82/84/24/780828424.db2.gz DSVXJJJLNPBRPB-IKGGRYGDSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001008751160 785294432 /nfs/dbraw/zinc/29/44/32/785294432.db2.gz ZARATFKEWRJPLH-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001008751160 785294435 /nfs/dbraw/zinc/29/44/35/785294435.db2.gz ZARATFKEWRJPLH-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CC(C)(C)C)C2 ZINC001108764315 785531829 /nfs/dbraw/zinc/53/18/29/785531829.db2.gz IGHAMINPOACPIR-JYJNAYRXSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171247582 791122372 /nfs/dbraw/zinc/12/23/72/791122372.db2.gz MKYSYJCVSCUEQI-UKRRQHHQSA-N 1 3 315.889 2.344 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001097104354 787981670 /nfs/dbraw/zinc/98/16/70/787981670.db2.gz RIXITVGELXEKFV-JJTUDDRGSA-N 1 3 305.466 2.014 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001097104354 787981675 /nfs/dbraw/zinc/98/16/75/787981675.db2.gz RIXITVGELXEKFV-JJTUDDRGSA-N 1 3 305.466 2.014 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001097694909 788183008 /nfs/dbraw/zinc/18/30/08/788183008.db2.gz KGJLUIYWXATARA-MLHJIOFPSA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001097694909 788183014 /nfs/dbraw/zinc/18/30/14/788183014.db2.gz KGJLUIYWXATARA-MLHJIOFPSA-N 1 3 319.493 2.406 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)CC[C@H]1C ZINC001133181866 788308906 /nfs/dbraw/zinc/30/89/06/788308906.db2.gz JXUCZRFLJWAPGG-IAGOWNOFSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133345362 788375803 /nfs/dbraw/zinc/37/58/03/788375803.db2.gz BDLKUNZLCHVDLB-DLBZAZTESA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)CN1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071871191 789951262 /nfs/dbraw/zinc/95/12/62/789951262.db2.gz GNHFXKDQULXWCX-DOTOQJQBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001147724652 791605761 /nfs/dbraw/zinc/60/57/61/791605761.db2.gz LRLCJPQNLSRUNL-MRXNPFEDSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001147724652 791605766 /nfs/dbraw/zinc/60/57/66/791605766.db2.gz LRLCJPQNLSRUNL-MRXNPFEDSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147725726 791607457 /nfs/dbraw/zinc/60/74/57/791607457.db2.gz YZFQKLOYLHTSPT-RDJZCZTQSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147725726 791607463 /nfs/dbraw/zinc/60/74/63/791607463.db2.gz YZFQKLOYLHTSPT-RDJZCZTQSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001100918509 792918518 /nfs/dbraw/zinc/91/85/18/792918518.db2.gz ZQDJJDYLDRONDJ-GRTSSRMGSA-N 1 3 304.438 2.100 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101477552 793174061 /nfs/dbraw/zinc/17/40/61/793174061.db2.gz ZRNJLABXSFBLBU-LMMKCTJWSA-N 1 3 321.509 2.462 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101477552 793174073 /nfs/dbraw/zinc/17/40/73/793174073.db2.gz ZRNJLABXSFBLBU-LMMKCTJWSA-N 1 3 321.509 2.462 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001103140000 793954414 /nfs/dbraw/zinc/95/44/14/793954414.db2.gz IIPNUFRFYKLGES-BRWVUGGUSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001103140000 793954417 /nfs/dbraw/zinc/95/44/17/793954417.db2.gz IIPNUFRFYKLGES-BRWVUGGUSA-N 1 3 309.498 2.367 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)CCCC[NH2+]CCCC)CC1 ZINC001176737863 794484072 /nfs/dbraw/zinc/48/40/72/794484072.db2.gz NQZVRKNIMOXBNF-QGZVFWFLSA-N 1 3 321.509 2.396 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC001179546626 795135416 /nfs/dbraw/zinc/13/54/16/795135416.db2.gz ZHFSMVKIBMRRAU-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(Cl)C[NH2+]CCCCCCNC(=O)CN1CCC[C@H]1C ZINC001179580319 795144835 /nfs/dbraw/zinc/14/48/35/795144835.db2.gz DNCUDTKSAFIGFA-OAHLLOKOSA-N 1 3 315.889 2.489 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001120448886 795461785 /nfs/dbraw/zinc/46/17/85/795461785.db2.gz HYPPAFYAWXUTCH-ZWKOTPCHSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001120448886 795461792 /nfs/dbraw/zinc/46/17/92/795461792.db2.gz HYPPAFYAWXUTCH-ZWKOTPCHSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCCC[C@H](N)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC001121996977 795714635 /nfs/dbraw/zinc/71/46/35/795714635.db2.gz QGPVHXYIEHTVKF-KRWDZBQOSA-N 1 3 307.482 2.441 20 30 DEEDHO C=CCCC[NH2+]C1CC2(CC(NC(=O)CN(C)C(C)C)C2)C1 ZINC001122242557 795739248 /nfs/dbraw/zinc/73/92/48/795739248.db2.gz IUZBBXGFKNRCAL-UHFFFAOYSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)N(C)CC)C12CCC2 ZINC001203105814 796651579 /nfs/dbraw/zinc/65/15/79/796651579.db2.gz YKCREUHVZQIGOR-HUUCEWRRSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N(C)CC)C12CCC2 ZINC001203105815 796652156 /nfs/dbraw/zinc/65/21/56/796652156.db2.gz YKCREUHVZQIGOR-LSDHHAIUSA-N 1 3 307.482 2.310 20 30 DEEDHO C=C(C)CC[N@H+]1CC=C(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001161219520 796693199 /nfs/dbraw/zinc/69/31/99/796693199.db2.gz JBCUGBBDDVULFO-KRWDZBQOSA-N 1 3 319.493 2.433 20 30 DEEDHO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001161219520 796693202 /nfs/dbraw/zinc/69/32/02/796693202.db2.gz JBCUGBBDDVULFO-KRWDZBQOSA-N 1 3 319.493 2.433 20 30 DEEDHO C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001194265255 797702226 /nfs/dbraw/zinc/70/22/26/797702226.db2.gz COLPZFQJJBOCAK-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001194265255 797702230 /nfs/dbraw/zinc/70/22/30/797702230.db2.gz COLPZFQJJBOCAK-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001110738728 799002493 /nfs/dbraw/zinc/00/24/93/799002493.db2.gz QNGUMGHROTUOPL-OAGGEKHMSA-N 1 3 307.482 2.404 20 30 DEEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001110738728 799002502 /nfs/dbraw/zinc/00/25/02/799002502.db2.gz QNGUMGHROTUOPL-OAGGEKHMSA-N 1 3 307.482 2.404 20 30 DEEDHO C=CCCCCC[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202667263 799354080 /nfs/dbraw/zinc/35/40/80/799354080.db2.gz GQVVWFWZRNHOLC-UHFFFAOYSA-N 1 3 304.438 2.279 20 30 DEEDHO C=CC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203420791 800044961 /nfs/dbraw/zinc/04/49/61/800044961.db2.gz XDVYDXQMZXQFEM-LSDHHAIUSA-N 1 3 307.482 2.167 20 30 DEEDHO C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208340992 800959556 /nfs/dbraw/zinc/95/95/56/800959556.db2.gz SPPJILYYDHGLJY-HOTGVXAUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[C@H](C)[NH+]1CCC(NC(=O)Cc2nc[nH]c2C)CC1 ZINC001230125605 801363746 /nfs/dbraw/zinc/36/37/46/801363746.db2.gz YHYRPWSKFFBYFD-ZDUSSCGKSA-N 1 3 304.438 2.196 20 30 DEEDHO C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001211257309 801537452 /nfs/dbraw/zinc/53/74/52/801537452.db2.gz QJOPJWYFIJBTST-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001234265709 802336824 /nfs/dbraw/zinc/33/68/24/802336824.db2.gz KYYUBBWSWZHPPQ-IAGOWNOFSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001234265709 802336830 /nfs/dbraw/zinc/33/68/30/802336830.db2.gz KYYUBBWSWZHPPQ-IAGOWNOFSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCN1C(C)C ZINC001234265709 802336837 /nfs/dbraw/zinc/33/68/37/802336837.db2.gz KYYUBBWSWZHPPQ-IAGOWNOFSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCN1C(C)C ZINC001234265709 802336840 /nfs/dbraw/zinc/33/68/40/802336840.db2.gz KYYUBBWSWZHPPQ-IAGOWNOFSA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001330822547 1149307454 /nfs/dbraw/zinc/30/74/54/1149307454.db2.gz UCMCLWBBAMTUCB-SOUVJXGZSA-N 1 3 315.889 2.344 20 30 DEEDHO C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001330822547 1149307465 /nfs/dbraw/zinc/30/74/65/1149307465.db2.gz UCMCLWBBAMTUCB-SOUVJXGZSA-N 1 3 315.889 2.344 20 30 DEEDHO C#CCC[NH+]1CCC(NC[C@H](O)c2ccc(Cl)cc2)CC1 ZINC001346251342 1150959532 /nfs/dbraw/zinc/95/95/32/1150959532.db2.gz MAOHZUGIZNXJCX-KRWDZBQOSA-N 1 3 306.837 2.451 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001502126514 1059965303 /nfs/dbraw/zinc/96/53/03/1059965303.db2.gz ZZVSXJNXLVNZOM-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001502126514 1059965321 /nfs/dbraw/zinc/96/53/21/1059965321.db2.gz ZZVSXJNXLVNZOM-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCN1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001502953280 1060409295 /nfs/dbraw/zinc/40/92/95/1060409295.db2.gz VLYDHACQSGWOIW-DLBZAZTESA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCN1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001502953280 1060409299 /nfs/dbraw/zinc/40/92/99/1060409299.db2.gz VLYDHACQSGWOIW-DLBZAZTESA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCN1CCC(C(=O)NC2(C[NH2+]CCC)CCCCC2)CC1 ZINC001506534384 1062095571 /nfs/dbraw/zinc/09/55/71/1062095571.db2.gz XSTXVEFAEVUSCD-UHFFFAOYSA-N 1 3 319.493 2.150 20 30 DEEDHO CC#CC[NH2+]C1CCC(NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001480408734 1062819458 /nfs/dbraw/zinc/81/94/58/1062819458.db2.gz UEEYMLRSZVTCPP-UHFFFAOYSA-N 1 3 307.482 2.005 20 30 DEEDHO C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001493817388 1063975083 /nfs/dbraw/zinc/97/50/83/1063975083.db2.gz BCKAJIUJYDKSPF-RDJZCZTQSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001567409686 1064187519 /nfs/dbraw/zinc/18/75/19/1064187519.db2.gz MKCVURTVJKXWOZ-MRXNPFEDSA-N 1 3 309.498 2.369 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001567409686 1064187521 /nfs/dbraw/zinc/18/75/21/1064187521.db2.gz MKCVURTVJKXWOZ-MRXNPFEDSA-N 1 3 309.498 2.369 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC001568117767 1064654696 /nfs/dbraw/zinc/65/46/96/1064654696.db2.gz WLDUOAPRUZMGBG-HNNXBMFYSA-N 1 3 309.841 2.177 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]CCC(=C)C)C(C)C)CC1 ZINC001568470727 1064892779 /nfs/dbraw/zinc/89/27/79/1064892779.db2.gz UIFHBYFUWQMYQE-GOSISDBHSA-N 1 3 319.493 2.028 20 30 DEEDHO C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCN1C(C)C)C1CCCCC1 ZINC001496316112 1065404697 /nfs/dbraw/zinc/40/46/97/1065404697.db2.gz YBWSQAIVNHCFLX-ZWKOTPCHSA-N 1 3 319.493 2.147 20 30 DEEDHO C=CCCCN1CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001569376281 1065473145 /nfs/dbraw/zinc/47/31/45/1065473145.db2.gz IJXVDFXEVKDKBY-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCCN1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001569386855 1065484368 /nfs/dbraw/zinc/48/43/68/1065484368.db2.gz WZDXBBSGTCDAPE-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001569436662 1065505548 /nfs/dbraw/zinc/50/55/48/1065505548.db2.gz KKYFRHBPPYFZAI-GOSISDBHSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001569436662 1065505561 /nfs/dbraw/zinc/50/55/61/1065505561.db2.gz KKYFRHBPPYFZAI-GOSISDBHSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCCC[NH2+]CC[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001570005676 1065878022 /nfs/dbraw/zinc/87/80/22/1065878022.db2.gz MJSAIPSICNNBBW-IRXDYDNUSA-N 1 3 307.482 2.123 20 30 DEEDHO C=C(C)CC[NH2+]C1(C)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001570373896 1066038339 /nfs/dbraw/zinc/03/83/39/1066038339.db2.gz DIRVMIALDRLJRB-UHFFFAOYSA-N 1 3 307.482 2.408 20 30 DEEDHO C[C@H]1CC2(CN1Cc1ccc(C#N)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001576639295 1066652349 /nfs/dbraw/zinc/65/23/49/1066652349.db2.gz ZXXJUAMFKHUYSO-ZDUSSCGKSA-N 1 3 314.389 2.430 20 30 DEEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001499835749 1067353281 /nfs/dbraw/zinc/35/32/81/1067353281.db2.gz PEFNDWCADDURPH-HZPDHXFCSA-N 1 3 307.482 2.406 20 30 DEEDHO N#Cc1cccc(NC(=O)CC[N@H+]2CCCCC[C@@H](N)C2)c1 ZINC001580076224 1067490811 /nfs/dbraw/zinc/49/08/11/1067490811.db2.gz RJNFTSJCPBXWID-OAHLLOKOSA-N 1 3 300.406 2.090 20 30 DEEDHO N#Cc1cccc(NC(=O)CC[N@@H+]2CCCCC[C@@H](N)C2)c1 ZINC001580076224 1067490816 /nfs/dbraw/zinc/49/08/16/1067490816.db2.gz RJNFTSJCPBXWID-OAHLLOKOSA-N 1 3 300.406 2.090 20 30 DEEDHO C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001571534894 1068402907 /nfs/dbraw/zinc/40/29/07/1068402907.db2.gz USPYMALPHFPTOM-IRXDYDNUSA-N 1 3 319.493 2.149 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001483849490 1079149444 /nfs/dbraw/zinc/14/94/44/1079149444.db2.gz WXCQDALDPJKFAQ-FUHWJXTLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001483849490 1079149450 /nfs/dbraw/zinc/14/94/50/1079149450.db2.gz WXCQDALDPJKFAQ-FUHWJXTLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@@H+](C)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001267603580 1079164369 /nfs/dbraw/zinc/16/43/69/1079164369.db2.gz VALKZPREDMLJOS-QGZVFWFLSA-N 1 3 321.509 2.465 20 30 DEEDHO C=C(C)CC[N@H+](C)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001267603580 1079164371 /nfs/dbraw/zinc/16/43/71/1079164371.db2.gz VALKZPREDMLJOS-QGZVFWFLSA-N 1 3 321.509 2.465 20 30 DEEDHO CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCN1C(C)C)C1CCCC1 ZINC001484002320 1079237809 /nfs/dbraw/zinc/23/78/09/1079237809.db2.gz URYGMZLCOHXIPN-ZWKOTPCHSA-N 1 3 319.493 2.147 20 30 DEEDHO C=C(C)CC[N@@H+](C)CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001267733374 1079425898 /nfs/dbraw/zinc/42/58/98/1079425898.db2.gz MGSNVZIPJQGQDC-QGZVFWFLSA-N 1 3 309.498 2.463 20 30 DEEDHO C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001267733374 1079425900 /nfs/dbraw/zinc/42/59/00/1079425900.db2.gz MGSNVZIPJQGQDC-QGZVFWFLSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCCC[N@@H+](C)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001267745678 1079445444 /nfs/dbraw/zinc/44/54/44/1079445444.db2.gz BDOPVGSAIMSCTH-KRWDZBQOSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCCC[N@H+](C)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001267745678 1079445446 /nfs/dbraw/zinc/44/54/46/1079445446.db2.gz BDOPVGSAIMSCTH-KRWDZBQOSA-N 1 3 321.509 2.465 20 30 DEEDHO C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)CN(C)C(C)C)cc1 ZINC001484563002 1079662341 /nfs/dbraw/zinc/66/23/41/1079662341.db2.gz IOINFBYQEXXSPL-MRXNPFEDSA-N 1 3 315.461 2.317 20 30 DEEDHO C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001484771962 1079787947 /nfs/dbraw/zinc/78/79/47/1079787947.db2.gz JDFKJSUOKKWKDQ-MSOLQXFVSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001484771962 1079787949 /nfs/dbraw/zinc/78/79/49/1079787949.db2.gz JDFKJSUOKKWKDQ-MSOLQXFVSA-N 1 3 319.493 2.053 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001481510581 1079973361 /nfs/dbraw/zinc/97/33/61/1079973361.db2.gz YZYOTECHKBCPSK-IRXDYDNUSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001481510581 1079973367 /nfs/dbraw/zinc/97/33/67/1079973367.db2.gz YZYOTECHKBCPSK-IRXDYDNUSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@H]21 ZINC001656653187 1080109909 /nfs/dbraw/zinc/10/99/09/1080109909.db2.gz WHOCMRUURDJGAF-NXHRZFHOSA-N 1 3 319.493 2.262 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@H]21 ZINC001656653187 1080109913 /nfs/dbraw/zinc/10/99/13/1080109913.db2.gz WHOCMRUURDJGAF-NXHRZFHOSA-N 1 3 319.493 2.262 20 30 DEEDHO C=C(C)C[NH2+][C@@H](CCN(C)C(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001485437659 1080207345 /nfs/dbraw/zinc/20/73/45/1080207345.db2.gz JKFXOVUDMNJGTP-SJORKVTESA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCCC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001485518971 1080277035 /nfs/dbraw/zinc/27/70/35/1080277035.db2.gz GFZSUSCQLPRLFT-OAHLLOKOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001662108193 1080570258 /nfs/dbraw/zinc/57/02/58/1080570258.db2.gz AFKHLXOVXOLUSI-JCYILVPMSA-N 1 3 307.482 2.452 20 30 DEEDHO C=CCC[NH2+][C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001666323452 1081144017 /nfs/dbraw/zinc/14/40/17/1081144017.db2.gz PFRHFBGBZGMXBH-DSPLQEQRSA-N 1 3 307.482 2.452 20 30 DEEDHO C=CCC[NH2+][C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001666323454 1081144198 /nfs/dbraw/zinc/14/41/98/1081144198.db2.gz PFRHFBGBZGMXBH-QBPKDAKJSA-N 1 3 307.482 2.452 20 30 DEEDHO C=CCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001666403582 1081150500 /nfs/dbraw/zinc/15/05/00/1081150500.db2.gz NFDLXMIDGKNLDR-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001269254644 1081185418 /nfs/dbraw/zinc/18/54/18/1081185418.db2.gz CWXKENOJPACXRX-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001269254644 1081185419 /nfs/dbraw/zinc/18/54/19/1081185419.db2.gz CWXKENOJPACXRX-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[NH2+]C1(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001269489273 1081263751 /nfs/dbraw/zinc/26/37/51/1081263751.db2.gz LVCMKTOFVBTHLZ-KRWDZBQOSA-N 1 3 311.445 2.013 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C1 ZINC001672419531 1081594399 /nfs/dbraw/zinc/59/43/99/1081594399.db2.gz LJPMGEJNWKHSRY-WCXIOVBPSA-N 1 3 307.482 2.072 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C1 ZINC001672419531 1081594404 /nfs/dbraw/zinc/59/44/04/1081594404.db2.gz LJPMGEJNWKHSRY-WCXIOVBPSA-N 1 3 307.482 2.072 20 30 DEEDHO C=CCCC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@H]2C)CCC1 ZINC001673238641 1081748774 /nfs/dbraw/zinc/74/87/74/1081748774.db2.gz WXMRPRCJCSNELJ-HZPDHXFCSA-N 1 3 307.482 2.454 20 30 DEEDHO CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001674352681 1081864019 /nfs/dbraw/zinc/86/40/19/1081864019.db2.gz GSEJHOFZRGWLKN-SFHVURJKSA-N 1 3 321.509 2.156 20 30 DEEDHO CC#CC[N@H+](CC)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001674352681 1081864030 /nfs/dbraw/zinc/86/40/30/1081864030.db2.gz GSEJHOFZRGWLKN-SFHVURJKSA-N 1 3 321.509 2.156 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001270991912 1081866984 /nfs/dbraw/zinc/86/69/84/1081866984.db2.gz QWOVWKWLSNRIDS-AEFFLSMTSA-N 1 3 307.482 2.123 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001270991912 1081866992 /nfs/dbraw/zinc/86/69/92/1081866992.db2.gz QWOVWKWLSNRIDS-AEFFLSMTSA-N 1 3 307.482 2.123 20 30 DEEDHO CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001271770381 1082149944 /nfs/dbraw/zinc/14/99/44/1082149944.db2.gz NKGCXBZITGBRJD-BZSNNMDCSA-N 1 3 321.509 2.108 20 30 DEEDHO C=C(C)CN(CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001266617668 1082220122 /nfs/dbraw/zinc/22/01/22/1082220122.db2.gz SCBGIOYXXQFPQX-NVXWUHKLSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001482685329 1082481159 /nfs/dbraw/zinc/48/11/59/1082481159.db2.gz OILVGCAVZYQRGL-JKSUJKDBSA-N 1 3 307.482 2.311 20 30 DEEDHO C#CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCCCCC)CC[C@H]21 ZINC001496862291 1083053789 /nfs/dbraw/zinc/05/37/89/1083053789.db2.gz IWPVJWOHCWAXQI-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCCCCC)CC[C@H]21 ZINC001496862291 1083053792 /nfs/dbraw/zinc/05/37/92/1083053792.db2.gz IWPVJWOHCWAXQI-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCN1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001281557314 1084088186 /nfs/dbraw/zinc/08/81/86/1084088186.db2.gz OKNFZJMSVOMYBB-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001281557314 1084088198 /nfs/dbraw/zinc/08/81/98/1084088198.db2.gz OKNFZJMSVOMYBB-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C(C)C ZINC001491247006 1084186198 /nfs/dbraw/zinc/18/61/98/1084186198.db2.gz IENKLQOOFYUOIZ-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCN(CCN1CCC([C@H]2CCCC[NH2+]2)CC1)C(=O)OCC ZINC001235232041 1084353962 /nfs/dbraw/zinc/35/39/62/1084353962.db2.gz GONMYRNOJICUOY-QGZVFWFLSA-N 1 3 323.481 2.485 20 30 DEEDHO C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001277937456 1084388536 /nfs/dbraw/zinc/38/85/36/1084388536.db2.gz FCNCTDVRAJSVBM-PBHICJAKSA-N 1 3 313.461 2.212 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)CN(C)C(C)C)CC1 ZINC001486521775 1085405033 /nfs/dbraw/zinc/40/50/33/1085405033.db2.gz MEWFVQOWNANPJZ-INIZCTEOSA-N 1 3 307.482 2.430 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)CN(C)C(C)C)CC1 ZINC001486521775 1085405037 /nfs/dbraw/zinc/40/50/37/1085405037.db2.gz MEWFVQOWNANPJZ-INIZCTEOSA-N 1 3 307.482 2.430 20 30 DEEDHO C=CC[NH2+]C1CC2(CC(NC(=O)CN3[C@H](C)CC[C@H]3C)C2)C1 ZINC000965933068 1085700425 /nfs/dbraw/zinc/70/04/25/1085700425.db2.gz LMIAWDSWCQPADF-ANUBTTBHSA-N 1 3 305.466 2.062 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC000961413015 1085723481 /nfs/dbraw/zinc/72/34/81/1085723481.db2.gz WREFQBZFCNZUKZ-MSOLQXFVSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC000961413015 1085723492 /nfs/dbraw/zinc/72/34/92/1085723492.db2.gz WREFQBZFCNZUKZ-MSOLQXFVSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963366761 1086428260 /nfs/dbraw/zinc/42/82/60/1086428260.db2.gz MTQFITHVFHJYGT-WBVHZDCISA-N 1 3 316.449 2.231 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963366761 1086428268 /nfs/dbraw/zinc/42/82/68/1086428268.db2.gz MTQFITHVFHJYGT-WBVHZDCISA-N 1 3 316.449 2.231 20 30 DEEDHO C=CC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)CC1 ZINC000957599076 1088448019 /nfs/dbraw/zinc/44/80/19/1088448019.db2.gz YIFDQPHDYAUUNB-QGZVFWFLSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001084598709 1090343432 /nfs/dbraw/zinc/34/34/32/1090343432.db2.gz BGHOTJDGQJEIAB-FGTMMUONSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001084598709 1090343441 /nfs/dbraw/zinc/34/34/41/1090343441.db2.gz BGHOTJDGQJEIAB-FGTMMUONSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001274434307 1091242541 /nfs/dbraw/zinc/24/25/41/1091242541.db2.gz CZLVBZIFBSILOP-INIZCTEOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001274434307 1091242545 /nfs/dbraw/zinc/24/25/45/1091242545.db2.gz CZLVBZIFBSILOP-INIZCTEOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC000948775638 1091928527 /nfs/dbraw/zinc/92/85/27/1091928527.db2.gz NOTPFKBURTZYLV-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC000948775638 1091928537 /nfs/dbraw/zinc/92/85/37/1091928537.db2.gz NOTPFKBURTZYLV-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001316664270 1140039499 /nfs/dbraw/zinc/03/94/99/1140039499.db2.gz NNUFWTPETSXFDV-GVDBMIGSSA-N 1 3 309.498 2.413 20 30 DEEDHO C=CCC[NH2+]Cc1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001319000132 1140488986 /nfs/dbraw/zinc/48/89/86/1140488986.db2.gz KRDQGEOAISPUQX-MRXNPFEDSA-N 1 3 315.461 2.310 20 30 DEEDHO C[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CN1 ZINC001246364916 1140888921 /nfs/dbraw/zinc/88/89/21/1140888921.db2.gz XBPTZJMVFZDBNQ-DNVCBOLYSA-N 1 3 312.461 2.253 20 30 DEEDHO CCCCCCC[C@H](C)[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246624046 1141009250 /nfs/dbraw/zinc/00/92/50/1141009250.db2.gz DGPJHBRVNYLNOR-YJBOKZPZSA-N 1 3 307.482 2.147 20 30 DEEDHO CCCCCCC[C@H](C)[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246624046 1141009258 /nfs/dbraw/zinc/00/92/58/1141009258.db2.gz DGPJHBRVNYLNOR-YJBOKZPZSA-N 1 3 307.482 2.147 20 30 DEEDHO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CCN[C@@H](C)C1)CC2 ZINC001246730683 1141046226 /nfs/dbraw/zinc/04/62/26/1141046226.db2.gz AEHLSSKYPSUMFG-JZXOWHBKSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CCN[C@@H](C)C1)CC2 ZINC001246730683 1141046236 /nfs/dbraw/zinc/04/62/36/1141046236.db2.gz AEHLSSKYPSUMFG-JZXOWHBKSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001278662479 1142694445 /nfs/dbraw/zinc/69/44/45/1142694445.db2.gz CGZYRANESALAND-RDJZCZTQSA-N 1 3 313.461 2.071 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001278662479 1142694455 /nfs/dbraw/zinc/69/44/55/1142694455.db2.gz CGZYRANESALAND-RDJZCZTQSA-N 1 3 313.461 2.071 20 30 DEEDHO C=CCO[C@@H]1CO[C@]2(C1)CCCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001256627134 1143858397 /nfs/dbraw/zinc/85/83/97/1143858397.db2.gz ZSGYRZKXJBLRGB-VUXNLXKLSA-N 1 3 320.477 2.438 20 30 DEEDHO C=CCO[C@@H]1CO[C@]2(C1)CCCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001256627134 1143858399 /nfs/dbraw/zinc/85/83/99/1143858399.db2.gz ZSGYRZKXJBLRGB-VUXNLXKLSA-N 1 3 320.477 2.438 20 30 DEEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC001263130054 1144357537 /nfs/dbraw/zinc/35/75/37/1144357537.db2.gz JCCOGKSYBJUGAJ-ZACQAIPSSA-N 1 3 319.424 2.153 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001264185816 1144501890 /nfs/dbraw/zinc/50/18/90/1144501890.db2.gz KRWDJRFNAQLSRL-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001264185816 1144501894 /nfs/dbraw/zinc/50/18/94/1144501894.db2.gz KRWDJRFNAQLSRL-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001265306047 1144688861 /nfs/dbraw/zinc/68/88/61/1144688861.db2.gz ISTGIHVYJHMEHE-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001265306047 1144688864 /nfs/dbraw/zinc/68/88/64/1144688864.db2.gz ISTGIHVYJHMEHE-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001265374498 1144699470 /nfs/dbraw/zinc/69/94/70/1144699470.db2.gz NTCLXELOLPTGJU-DLBZAZTESA-N 1 3 307.482 2.310 20 30 DEEDHO C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001281830666 1144915579 /nfs/dbraw/zinc/91/55/79/1144915579.db2.gz LDMYRZKVMYBKPA-KRWDZBQOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001281830666 1144915580 /nfs/dbraw/zinc/91/55/80/1144915580.db2.gz LDMYRZKVMYBKPA-KRWDZBQOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001316626738 1145404933 /nfs/dbraw/zinc/40/49/33/1145404933.db2.gz ZQDJJDYLDRONDJ-AEGPPILISA-N 1 3 304.438 2.100 20 30 DEEDHO C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001316996987 1147646693 /nfs/dbraw/zinc/64/66/93/1147646693.db2.gz BPBGZPFOIZSXAD-HOTGVXAUSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)Cc2nc[nH]c2C)CC1 ZINC001317008145 1147647622 /nfs/dbraw/zinc/64/76/22/1147647622.db2.gz UNTMQSCDEIJRCU-INIZCTEOSA-N 1 3 316.449 2.198 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001317064511 1147655321 /nfs/dbraw/zinc/65/53/21/1147655321.db2.gz RWZXJIOGYSRMDM-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001317158472 1147667952 /nfs/dbraw/zinc/66/79/52/1147667952.db2.gz UOVHJXBUVDJBHM-INIZCTEOSA-N 1 3 309.498 2.369 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001317203860 1147676116 /nfs/dbraw/zinc/67/61/16/1147676116.db2.gz APIQINQMPZNLOM-MSOLQXFVSA-N 1 3 319.493 2.195 20 30 DEEDHO CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001317203860 1147676117 /nfs/dbraw/zinc/67/61/17/1147676117.db2.gz APIQINQMPZNLOM-MSOLQXFVSA-N 1 3 319.493 2.195 20 30 DEEDHO C=C(C)C[NH2+][C@H](CNC(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC001317723398 1147747539 /nfs/dbraw/zinc/74/75/39/1147747539.db2.gz GNHOHVSAXHGBFG-SJLPKXTDSA-N 1 3 315.461 2.351 20 30 DEEDHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000181500667 356083280 /nfs/dbraw/zinc/08/32/80/356083280.db2.gz PPIXBTVNCCDQMA-HZPDHXFCSA-N 1 3 300.450 2.235 20 30 DEEDHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000181500610 356083901 /nfs/dbraw/zinc/08/39/01/356083901.db2.gz PPIXBTVNCCDQMA-HOTGVXAUSA-N 1 3 300.450 2.235 20 30 DEEDHO C=CC[C@@]1(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CCC[NH2+]1 ZINC000662689118 540333734 /nfs/dbraw/zinc/33/37/34/540333734.db2.gz DYRDWVDQPDADDI-HKUYNNGSSA-N 1 3 315.461 2.412 20 30 DEEDHO CC(C)(CC#N)CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601968205 360212992 /nfs/dbraw/zinc/21/29/92/360212992.db2.gz YLBLHDZOWIQUJR-SFHVURJKSA-N 1 3 301.434 2.153 20 30 DEEDHO CC(C)(CC#N)CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601968205 360212994 /nfs/dbraw/zinc/21/29/94/360212994.db2.gz YLBLHDZOWIQUJR-SFHVURJKSA-N 1 3 301.434 2.153 20 30 DEEDHO C[NH+]=C(NCc1ccco1)NCc1cccc(CN(C)C)c1 ZINC000103337843 402185423 /nfs/dbraw/zinc/18/54/23/402185423.db2.gz XDRZMJGEVCZTTN-UHFFFAOYSA-N 1 3 300.406 2.206 20 30 DEEDHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(C#N)cc1 ZINC000177383483 402396762 /nfs/dbraw/zinc/39/67/62/402396762.db2.gz FZFVPLDAZMONHJ-UHFFFAOYSA-N 1 3 300.450 2.016 20 30 DEEDHO CC(C)c1cccc(NC(=[NH2+])NC[C@@H](O)CN2CCCCC2)c1 ZINC000170913178 402541463 /nfs/dbraw/zinc/54/14/63/402541463.db2.gz ZRTYOGFNQMKKRU-QGZVFWFLSA-N 1 3 318.465 2.383 20 30 DEEDHO C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C[NH+]1CCCC1 ZINC000279617401 402960751 /nfs/dbraw/zinc/96/07/51/402960751.db2.gz UMCPZHDMVIEOQF-CRAIPNDOSA-N 1 3 324.428 2.089 20 30 DEEDHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280479491 403003908 /nfs/dbraw/zinc/00/39/08/403003908.db2.gz UTECBCVTWDWWRC-QZTJIDSGSA-N 1 3 324.428 2.041 20 30 DEEDHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280479491 403003910 /nfs/dbraw/zinc/00/39/10/403003910.db2.gz UTECBCVTWDWWRC-QZTJIDSGSA-N 1 3 324.428 2.041 20 30 DEEDHO CC(C#N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000347101135 403615535 /nfs/dbraw/zinc/61/55/35/403615535.db2.gz GMUYHAZRZBSBMD-CABCVRRESA-N 1 3 315.417 2.162 20 30 DEEDHO C=CCN1CCC(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000351902677 403996586 /nfs/dbraw/zinc/99/65/86/403996586.db2.gz VRFLCFBPMDPCAE-HNNXBMFYSA-N 1 3 322.497 2.009 20 30 DEEDHO CC[C@@H](NCC#CC[NH2+][C@@H](CC)[C@H]1CCCO1)[C@H]1CCCO1 ZINC000350725399 404450927 /nfs/dbraw/zinc/45/09/27/404450927.db2.gz WLBZBAPWBUVGCM-XMTFNYHQSA-N 1 3 308.466 2.084 20 30 DEEDHO CC[C@@H]([NH2+]CC#CCN[C@@H](CC)[C@H]1CCCO1)[C@H]1CCCO1 ZINC000350725399 404450936 /nfs/dbraw/zinc/45/09/36/404450936.db2.gz WLBZBAPWBUVGCM-XMTFNYHQSA-N 1 3 308.466 2.084 20 30 DEEDHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424154380 405024014 /nfs/dbraw/zinc/02/40/14/405024014.db2.gz LSFWELCAKWTGPE-GOEBONIOSA-N 1 3 316.449 2.253 20 30 DEEDHO C#CCNC(=O)[C@@H](C)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000490924195 406507968 /nfs/dbraw/zinc/50/79/68/406507968.db2.gz OERYGLOCNGBVKB-QGZVFWFLSA-N 1 3 321.509 2.204 20 30 DEEDHO C#CCNC(=O)[C@@H](C)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000490924195 406507970 /nfs/dbraw/zinc/50/79/70/406507970.db2.gz OERYGLOCNGBVKB-QGZVFWFLSA-N 1 3 321.509 2.204 20 30 DEEDHO C=CC[C@@]1(C(=O)N2CCCN(C3CCCC3)CC2)CCC[NH2+]1 ZINC000662707894 425719272 /nfs/dbraw/zinc/71/92/72/425719272.db2.gz OHCKMQJBBOOEOT-SFHVURJKSA-N 1 3 305.466 2.162 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N(CC)CCC[NH+](C)C)CC1 ZINC000189391568 340535063 /nfs/dbraw/zinc/53/50/63/340535063.db2.gz YFGCLTOHEAQDNL-UHFFFAOYSA-N 1 3 310.486 2.010 20 30 DEEDHO C[NH+]=C(NCC1(N(C)C)CCCCCC1)N(C)C[C@@H]1CCOC1 ZINC000261640062 526350784 /nfs/dbraw/zinc/35/07/84/526350784.db2.gz KSJGRAJNDXDAKU-INIZCTEOSA-N 1 3 324.513 2.185 20 30 DEEDHO C[NH+]=C(NC[C@]1(N(C)C)CCC[C@H](C)C1)N(C)C[C@H]1CCOC1 ZINC000261626093 526378383 /nfs/dbraw/zinc/37/83/83/526378383.db2.gz IPIGORJUEWULRT-JZXOWHBKSA-N 1 3 324.513 2.041 20 30 DEEDHO C#Cc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000377656267 527433603 /nfs/dbraw/zinc/43/36/03/527433603.db2.gz RVDMMUDUVNPGRY-YLJYHZDGSA-N 1 3 311.473 2.126 20 30 DEEDHO C#Cc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000377656267 527433608 /nfs/dbraw/zinc/43/36/08/527433608.db2.gz RVDMMUDUVNPGRY-YLJYHZDGSA-N 1 3 311.473 2.126 20 30 DEEDHO C#Cc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000377656267 527433613 /nfs/dbraw/zinc/43/36/13/527433613.db2.gz RVDMMUDUVNPGRY-YLJYHZDGSA-N 1 3 311.473 2.126 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1c(Cl)cccc1OC ZINC000191151842 529075137 /nfs/dbraw/zinc/07/51/37/529075137.db2.gz YQVKFVDZCGWCFD-GFCCVEGCSA-N 1 3 324.856 2.237 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001022807705 624937574 /nfs/dbraw/zinc/93/75/74/624937574.db2.gz LPHWPSLUKJTSJM-KFWWJZLASA-N 1 3 313.873 2.240 20 30 DEEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000998868705 634429344 /nfs/dbraw/zinc/42/93/44/634429344.db2.gz XQHXXQYGZCVDET-YMAMQOFZSA-N 1 3 313.873 2.192 20 30 DEEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000998868705 634429347 /nfs/dbraw/zinc/42/93/47/634429347.db2.gz XQHXXQYGZCVDET-YMAMQOFZSA-N 1 3 313.873 2.192 20 30 DEEDHO C=CC[NH2+]C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000997360250 633713268 /nfs/dbraw/zinc/71/32/68/633713268.db2.gz NBFMJYSFIVRYHN-UHFFFAOYSA-N 1 3 301.434 2.128 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004458817 636459204 /nfs/dbraw/zinc/45/92/04/636459204.db2.gz QWKSIFYPNHJZAM-ZWKOTPCHSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004458817 636459207 /nfs/dbraw/zinc/45/92/07/636459207.db2.gz QWKSIFYPNHJZAM-ZWKOTPCHSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001006141538 637241883 /nfs/dbraw/zinc/24/18/83/637241883.db2.gz UWXTXKHMLMJIDR-UHFFFAOYSA-N 1 3 315.461 2.471 20 30 DEEDHO C=C(C)C[NH+]1CCC(N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC001006185413 637269698 /nfs/dbraw/zinc/26/96/98/637269698.db2.gz WOOFNRBTZKBGIV-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO C#CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000928625134 638656043 /nfs/dbraw/zinc/65/60/43/638656043.db2.gz QROALNHPNVKUCG-UHFFFAOYSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CCN1CC[C@@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990759594 641945773 /nfs/dbraw/zinc/94/57/73/641945773.db2.gz DQHUJRKLTSUDTL-DFGXFYAUSA-N 1 3 305.466 2.016 20 30 DEEDHO C=CCN1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990759594 641945776 /nfs/dbraw/zinc/94/57/76/641945776.db2.gz DQHUJRKLTSUDTL-DFGXFYAUSA-N 1 3 305.466 2.016 20 30 DEEDHO C=C(C)C[NH+]1CCC(NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC000906597162 644298393 /nfs/dbraw/zinc/29/83/93/644298393.db2.gz JLOTYKJWYCATDF-UHFFFAOYSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000907403127 644532469 /nfs/dbraw/zinc/53/24/69/644532469.db2.gz DOZCWQLGVKSFAQ-SJLPKXTDSA-N 1 3 315.461 2.131 20 30 DEEDHO CC(C)CN1CCC([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000818981708 647556630 /nfs/dbraw/zinc/55/66/30/647556630.db2.gz XCYGPCWATKQFRY-SFHVURJKSA-N 1 3 301.434 2.302 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001054148808 693862998 /nfs/dbraw/zinc/86/29/98/693862998.db2.gz WNMIUPIWHXHLOX-PKOBYXMFSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001054148808 693863002 /nfs/dbraw/zinc/86/30/02/693863002.db2.gz WNMIUPIWHXHLOX-PKOBYXMFSA-N 1 3 321.509 2.463 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1csc(C(C)C)n1 ZINC000303983045 685241904 /nfs/dbraw/zinc/24/19/04/685241904.db2.gz QVKPGNFENZTTEI-CQSZACIVSA-N 1 3 323.510 2.198 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001016329685 687593052 /nfs/dbraw/zinc/59/30/52/687593052.db2.gz MGYAAWSKWMHTKM-INIZCTEOSA-N 1 3 301.434 2.128 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001016329685 687593056 /nfs/dbraw/zinc/59/30/56/687593056.db2.gz MGYAAWSKWMHTKM-INIZCTEOSA-N 1 3 301.434 2.128 20 30 DEEDHO C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001016652744 687674621 /nfs/dbraw/zinc/67/46/21/687674621.db2.gz WILUTYIDUQTKMD-SJORKVTESA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018176366 688071270 /nfs/dbraw/zinc/07/12/70/688071270.db2.gz HVYJAHMYICZMRI-XWTMOSNGSA-N 1 3 319.493 2.358 20 30 DEEDHO C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001033577089 689549369 /nfs/dbraw/zinc/54/93/69/689549369.db2.gz ZEAMEPOLQBINOA-QZTJIDSGSA-N 1 3 319.493 2.197 20 30 DEEDHO C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033577089 689549372 /nfs/dbraw/zinc/54/93/72/689549372.db2.gz ZEAMEPOLQBINOA-QZTJIDSGSA-N 1 3 319.493 2.197 20 30 DEEDHO C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033856722 689640555 /nfs/dbraw/zinc/64/05/55/689640555.db2.gz VYNAYYOAMGYKDU-ROUUACIJSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033856722 689640557 /nfs/dbraw/zinc/64/05/57/689640557.db2.gz VYNAYYOAMGYKDU-ROUUACIJSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001034204255 689761728 /nfs/dbraw/zinc/76/17/28/689761728.db2.gz LDKQVRNCSYVIHQ-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001034204255 689761731 /nfs/dbraw/zinc/76/17/31/689761731.db2.gz LDKQVRNCSYVIHQ-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001034330971 689811428 /nfs/dbraw/zinc/81/14/28/689811428.db2.gz QQBMOKJWOVCEGS-ROUUACIJSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001034330971 689811430 /nfs/dbraw/zinc/81/14/30/689811430.db2.gz QQBMOKJWOVCEGS-ROUUACIJSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000876709259 689910951 /nfs/dbraw/zinc/91/09/51/689910951.db2.gz NHGIACFLTFNXJQ-CVEARBPZSA-N 1 3 323.868 2.438 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000876707465 689910973 /nfs/dbraw/zinc/91/09/73/689910973.db2.gz HFEIVJHYZRVHIM-MRXNPFEDSA-N 1 3 321.852 2.237 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000876723544 689916222 /nfs/dbraw/zinc/91/62/22/689916222.db2.gz DPRRECGCRQVRFN-HZPDHXFCSA-N 1 3 321.852 2.410 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001034642761 689917132 /nfs/dbraw/zinc/91/71/32/689917132.db2.gz LAXLHUKFZOGTDN-ULQDDVLXSA-N 1 3 307.482 2.452 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000876773765 689933044 /nfs/dbraw/zinc/93/30/44/689933044.db2.gz DXSVUJUZBDZLHQ-OAHLLOKOSA-N 1 3 313.873 2.370 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000876773949 689933061 /nfs/dbraw/zinc/93/30/61/689933061.db2.gz ZGECCRFGUAJQGU-HZPDHXFCSA-N 1 3 321.852 2.189 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000876773949 689933064 /nfs/dbraw/zinc/93/30/64/689933064.db2.gz ZGECCRFGUAJQGU-HZPDHXFCSA-N 1 3 321.852 2.189 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000876773776 689933331 /nfs/dbraw/zinc/93/33/31/689933331.db2.gz FDPQCPDJGIDGBV-NRXISQOPSA-N 1 3 313.873 2.370 20 30 DEEDHO C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035721198 690161031 /nfs/dbraw/zinc/16/10/31/690161031.db2.gz SCVYDVCRSAZLHB-QGZVFWFLSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001035726489 690162319 /nfs/dbraw/zinc/16/23/19/690162319.db2.gz ASENIVDWJOSOKY-INIZCTEOSA-N 1 3 307.482 2.073 20 30 DEEDHO COCCN(Cc1ccc(C#N)s1)CC1CC[NH+](C)CC1 ZINC000877665428 690183377 /nfs/dbraw/zinc/18/33/77/690183377.db2.gz VBMDDOKEFRGFKL-UHFFFAOYSA-N 1 3 307.463 2.410 20 30 DEEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1CC ZINC001037951570 690647779 /nfs/dbraw/zinc/64/77/79/690647779.db2.gz SFLPOCQDWJSDSZ-IAGOWNOFSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039153632 691033993 /nfs/dbraw/zinc/03/39/93/691033993.db2.gz DHSGQBACNLNOFT-ZWKOTPCHSA-N 1 3 321.509 2.319 20 30 DEEDHO C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039153632 691033995 /nfs/dbraw/zinc/03/39/95/691033995.db2.gz DHSGQBACNLNOFT-ZWKOTPCHSA-N 1 3 321.509 2.319 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039173038 691039469 /nfs/dbraw/zinc/03/94/69/691039469.db2.gz LOPGHZVZDMIQJP-GOSISDBHSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039173038 691039472 /nfs/dbraw/zinc/03/94/72/691039472.db2.gz LOPGHZVZDMIQJP-GOSISDBHSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039216256 691057209 /nfs/dbraw/zinc/05/72/09/691057209.db2.gz ZATXDFKPFSPTJO-WMZOPIPTSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039216256 691057210 /nfs/dbraw/zinc/05/72/10/691057210.db2.gz ZATXDFKPFSPTJO-WMZOPIPTSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001040745094 691284613 /nfs/dbraw/zinc/28/46/13/691284613.db2.gz HTJUFZNPNYUJET-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[NH+]1CCC2(CCN(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001040853044 691292684 /nfs/dbraw/zinc/29/26/84/691292684.db2.gz HTJUFZNPNYUJET-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001050062232 693096517 /nfs/dbraw/zinc/09/65/17/693096517.db2.gz KPNYCALVAFDZHZ-RCCFBDPRSA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001050062232 693096519 /nfs/dbraw/zinc/09/65/19/693096519.db2.gz KPNYCALVAFDZHZ-RCCFBDPRSA-N 1 3 319.493 2.073 20 30 DEEDHO CC#CCN1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052515295 693554948 /nfs/dbraw/zinc/55/49/48/693554948.db2.gz CRGPGAFDAOLIPQ-ZWKOTPCHSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001052515295 693554951 /nfs/dbraw/zinc/55/49/51/693554951.db2.gz CRGPGAFDAOLIPQ-ZWKOTPCHSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CCC(C(=O)N(CC[N@H+](C)CC(=C)C)C(C)C)CC1 ZINC001332740167 1149886775 /nfs/dbraw/zinc/88/67/75/1149886775.db2.gz CWOHHGQCNPZVCB-UHFFFAOYSA-N 1 3 319.493 2.077 20 30 DEEDHO C#CCN1CCC(C(=O)N(CC[N@@H+](C)CC(=C)C)C(C)C)CC1 ZINC001332740167 1149886778 /nfs/dbraw/zinc/88/67/78/1149886778.db2.gz CWOHHGQCNPZVCB-UHFFFAOYSA-N 1 3 319.493 2.077 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001444310969 1183341122 /nfs/dbraw/zinc/34/11/22/1183341122.db2.gz QOYJWGPODHVPKG-CYBMUJFWSA-N 1 3 315.889 2.345 20 30 DEEDHO C=C(Cl)CN[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001444880888 1183617272 /nfs/dbraw/zinc/61/72/72/1183617272.db2.gz AJBZHYCZAJVTPI-HUUCEWRRSA-N 1 3 315.889 2.344 20 30 DEEDHO C=C(Cl)CN[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C(C)C ZINC001444880888 1183617277 /nfs/dbraw/zinc/61/72/77/1183617277.db2.gz AJBZHYCZAJVTPI-HUUCEWRRSA-N 1 3 315.889 2.344 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001446579456 1184425425 /nfs/dbraw/zinc/42/54/25/1184425425.db2.gz HFCHBDRLECLYMX-INIZCTEOSA-N 1 3 313.873 2.051 20 30 DEEDHO C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001112506766 777176495 /nfs/dbraw/zinc/17/64/95/777176495.db2.gz DJVZXCHWCCZRTO-LPHOPBHVSA-N 1 3 319.493 2.265 20 30 DEEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001104599956 777961868 /nfs/dbraw/zinc/96/18/68/777961868.db2.gz MQKVADVRUPTMSB-UKRRQHHQSA-N 1 3 315.889 2.155 20 30 DEEDHO C=CC[N@H+]1CCC2(CN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001073458997 790667554 /nfs/dbraw/zinc/66/75/54/790667554.db2.gz FRDLWNQVTFIGTP-UHFFFAOYSA-N 1 3 313.445 2.082 20 30 DEEDHO C=CC[N@@H+]1CCC2(CN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001073458997 790667557 /nfs/dbraw/zinc/66/75/57/790667557.db2.gz FRDLWNQVTFIGTP-UHFFFAOYSA-N 1 3 313.445 2.082 20 30 DEEDHO C=CC[NH2+]CC1(CCNC(=O)c2ccccc2CN(C)C)CC1 ZINC001168320795 780837510 /nfs/dbraw/zinc/83/75/10/780837510.db2.gz QDXZPPDQCJXGGU-UHFFFAOYSA-N 1 3 315.461 2.424 20 30 DEEDHO C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001168335249 780851504 /nfs/dbraw/zinc/85/15/04/780851504.db2.gz DMUXUTNFNYYAML-INIZCTEOSA-N 1 3 307.482 2.313 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001076324696 781217681 /nfs/dbraw/zinc/21/76/81/781217681.db2.gz YIAFBHLQFDFPKV-OKZBNKHCSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001076324696 781217684 /nfs/dbraw/zinc/21/76/84/781217684.db2.gz YIAFBHLQFDFPKV-OKZBNKHCSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001091377161 791122178 /nfs/dbraw/zinc/12/21/78/791122178.db2.gz BXKCPUYGVGSTGI-YMAMQOFZSA-N 1 3 313.873 2.098 20 30 DEEDHO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC001114285443 787197792 /nfs/dbraw/zinc/19/77/92/787197792.db2.gz NIEPBEQPAOZONM-FVQHAEBGSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC001114285443 787197801 /nfs/dbraw/zinc/19/78/01/787197801.db2.gz NIEPBEQPAOZONM-FVQHAEBGSA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)N(C)CC)CC[C@@H]1C ZINC001132937038 788231126 /nfs/dbraw/zinc/23/11/26/788231126.db2.gz FVKZDHJTQYXTGV-HOTGVXAUSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CC[C@@H]1C ZINC001133190254 788313041 /nfs/dbraw/zinc/31/30/41/788313041.db2.gz FSBRBODQIBTABX-ZFWWWQNUSA-N 1 3 315.889 2.155 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133345927 788375332 /nfs/dbraw/zinc/37/53/32/788375332.db2.gz IHABEUKTCLYWJQ-IAGOWNOFSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCN1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001072813375 790256651 /nfs/dbraw/zinc/25/66/51/790256651.db2.gz PEXDKKCGIZDWNK-QGZVFWFLSA-N 1 3 317.477 2.114 20 30 DEEDHO C=CCN1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001072813375 790256656 /nfs/dbraw/zinc/25/66/56/790256656.db2.gz PEXDKKCGIZDWNK-QGZVFWFLSA-N 1 3 317.477 2.114 20 30 DEEDHO C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001147747888 791617358 /nfs/dbraw/zinc/61/73/58/791617358.db2.gz IOBAJHUNFPUVMJ-INIZCTEOSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001147747888 791617365 /nfs/dbraw/zinc/61/73/65/791617365.db2.gz IOBAJHUNFPUVMJ-INIZCTEOSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092010904 791923087 /nfs/dbraw/zinc/92/30/87/791923087.db2.gz NRVRPJZJPXGTJM-LMMKCTJWSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092010904 791923091 /nfs/dbraw/zinc/92/30/91/791923091.db2.gz NRVRPJZJPXGTJM-LMMKCTJWSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013194 791923414 /nfs/dbraw/zinc/92/34/14/791923414.db2.gz LNBVBLXMBSEOFK-LMMKCTJWSA-N 1 3 319.493 2.075 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013194 791923416 /nfs/dbraw/zinc/92/34/16/791923416.db2.gz LNBVBLXMBSEOFK-LMMKCTJWSA-N 1 3 319.493 2.075 20 30 DEEDHO C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001099059531 792067208 /nfs/dbraw/zinc/06/72/08/792067208.db2.gz KXTFMEPGDNHUEK-LNLFQRSKSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001099059531 792067220 /nfs/dbraw/zinc/06/72/20/792067220.db2.gz KXTFMEPGDNHUEK-LNLFQRSKSA-N 1 3 319.493 2.408 20 30 DEEDHO C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001100848477 792880999 /nfs/dbraw/zinc/88/09/99/792880999.db2.gz OPSQMVOEZLKIRV-DAWZGUTISA-N 1 3 319.493 2.149 20 30 DEEDHO C=CCCCCC[NH2+]C1CC(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001100918371 792918795 /nfs/dbraw/zinc/91/87/95/792918795.db2.gz RTMBHOHJZDAQAD-UHFFFAOYSA-N 1 3 318.465 2.491 20 30 DEEDHO C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001101549210 793225665 /nfs/dbraw/zinc/22/56/65/793225665.db2.gz HAOHDHBBJAUQPD-KRWDZBQOSA-N 1 3 321.509 2.060 20 30 DEEDHO C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001101575970 793241725 /nfs/dbraw/zinc/24/17/25/793241725.db2.gz PDGOYCCLBFRWKR-KRWDZBQOSA-N 1 3 321.509 2.204 20 30 DEEDHO C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001112350107 794610264 /nfs/dbraw/zinc/61/02/64/794610264.db2.gz HQMNBXJHPAKWHZ-SCTDSRPQSA-N 1 3 319.493 2.264 20 30 DEEDHO CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](CC)N(C)C ZINC001177415531 794665884 /nfs/dbraw/zinc/66/58/84/794665884.db2.gz BEBOYDGLQDTKQZ-SFHVURJKSA-N 1 3 321.509 2.348 20 30 DEEDHO C#CCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CCCCC1 ZINC001115715733 794893102 /nfs/dbraw/zinc/89/31/02/794893102.db2.gz TZRFLMPYNUJTHL-MRXNPFEDSA-N 1 3 307.482 2.005 20 30 DEEDHO C=C(Cl)C[NH2+]C1(CNC(=O)CN(CC)CC)CCCCC1 ZINC001115777436 794916798 /nfs/dbraw/zinc/91/67/98/794916798.db2.gz ZWGXFNDPXMDUHT-UHFFFAOYSA-N 1 3 315.889 2.489 20 30 DEEDHO C=C(Cl)C[NH2+]CCCCCCNC(=O)CN1CC[C@@H](C)C1 ZINC001179585231 795146023 /nfs/dbraw/zinc/14/60/23/795146023.db2.gz DNPSWUJAUNTMFH-CQSZACIVSA-N 1 3 315.889 2.347 20 30 DEEDHO C=CCC[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CCCCC1 ZINC001120069240 795401599 /nfs/dbraw/zinc/40/15/99/795401599.db2.gz YZJHBAUIRVAZMU-UHFFFAOYSA-N 1 3 304.438 2.245 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001120440642 795461349 /nfs/dbraw/zinc/46/13/49/795461349.db2.gz QHSZUOBGJHISEJ-ZWKOTPCHSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001120440642 795461353 /nfs/dbraw/zinc/46/13/53/795461353.db2.gz QHSZUOBGJHISEJ-ZWKOTPCHSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCCC[NH2+]C1CC2(CC(NC(=O)CN3CCC[C@H]3C)C2)C1 ZINC001121768077 795684433 /nfs/dbraw/zinc/68/44/33/795684433.db2.gz YOLHOXQQWPIAMD-FIXVGMIGSA-N 1 3 319.493 2.454 20 30 DEEDHO C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001182623754 795714885 /nfs/dbraw/zinc/71/48/85/795714885.db2.gz VNQJGBIAALSROU-VQIMIIECSA-N 1 3 321.509 2.369 20 30 DEEDHO C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001183267813 795842829 /nfs/dbraw/zinc/84/28/29/795842829.db2.gz NTPPRMHEOLUZQG-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185762141 796311813 /nfs/dbraw/zinc/31/18/13/796311813.db2.gz MRQCAMZHKVDQQE-IRXDYDNUSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001189389237 796816442 /nfs/dbraw/zinc/81/64/42/796816442.db2.gz IWYUDRCEBVSOAA-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001189389237 796816446 /nfs/dbraw/zinc/81/64/46/796816446.db2.gz IWYUDRCEBVSOAA-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CN1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001198364018 798322430 /nfs/dbraw/zinc/32/24/30/798322430.db2.gz KECPOYQTUUOKEF-UHFFFAOYSA-N 1 3 307.482 2.363 20 30 DEEDHO C#CCN1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001160126020 798650616 /nfs/dbraw/zinc/65/06/16/798650616.db2.gz RLLSQZGGMZXOKZ-UHFFFAOYSA-N 1 3 317.477 2.023 20 30 DEEDHO C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001160478853 798694193 /nfs/dbraw/zinc/69/41/93/798694193.db2.gz BJUDBMJWBYQWBJ-QGZVFWFLSA-N 1 3 307.482 2.431 20 30 DEEDHO C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001160478853 798694195 /nfs/dbraw/zinc/69/41/95/798694195.db2.gz BJUDBMJWBYQWBJ-QGZVFWFLSA-N 1 3 307.482 2.431 20 30 DEEDHO C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001201053747 798711342 /nfs/dbraw/zinc/71/13/42/798711342.db2.gz WGPWPIPUVQFYRN-WMLDXEAASA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCCC[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001205469374 800361280 /nfs/dbraw/zinc/36/12/80/800361280.db2.gz AYXQONFFAWPLDH-UHFFFAOYSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001205490355 800363193 /nfs/dbraw/zinc/36/31/93/800363193.db2.gz BFCCEOPWMOOXML-HNNXBMFYSA-N 1 3 315.889 2.153 20 30 DEEDHO CC#CC[NH2+]CC1CCN(C(=O)CN(C)CCCCCC)CC1 ZINC001206621746 800567028 /nfs/dbraw/zinc/56/70/28/800567028.db2.gz FUEOEXJPOJUAME-UHFFFAOYSA-N 1 3 321.509 2.350 20 30 DEEDHO C=CCC[C@@H](C)[NH+]1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001229186657 801238775 /nfs/dbraw/zinc/23/87/75/801238775.db2.gz XMIFWLLCZJXZMM-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001216844872 802032419 /nfs/dbraw/zinc/03/24/19/802032419.db2.gz MOQDKJZMEQBITE-BRWVUGGUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001234265710 802338005 /nfs/dbraw/zinc/33/80/05/802338005.db2.gz KYYUBBWSWZHPPQ-IRXDYDNUSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001234265710 802338014 /nfs/dbraw/zinc/33/80/14/802338014.db2.gz KYYUBBWSWZHPPQ-IRXDYDNUSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCN1C(C)C ZINC001234265710 802338019 /nfs/dbraw/zinc/33/80/19/802338019.db2.gz KYYUBBWSWZHPPQ-IRXDYDNUSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCN1C(C)C ZINC001234265710 802338027 /nfs/dbraw/zinc/33/80/27/802338027.db2.gz KYYUBBWSWZHPPQ-IRXDYDNUSA-N 1 3 307.482 2.358 20 30 DEEDHO C#CCN1CC[C@]2(C1)CCCCN(C(=O)CCCC[NH+](C)C)C2 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C=CCN1CC[C@]2(NC(=O)[C@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001486146247 1085090551 /nfs/dbraw/zinc/09/05/51/1085090551.db2.gz MKQNYRVMWQLEQO-LZLYRXPVSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCC[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CC1(C)C ZINC001486246931 1085163702 /nfs/dbraw/zinc/16/37/02/1085163702.db2.gz VHLSUIQRPINGOG-JKSUJKDBSA-N 1 3 309.498 2.365 20 30 DEEDHO C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)Cc2nc[nH]c2C)CC1 ZINC001486441939 1085327132 /nfs/dbraw/zinc/32/71/32/1085327132.db2.gz VXBZJKOSJOYOBR-CQSZACIVSA-N 1 3 318.465 2.444 20 30 DEEDHO CC#CCN1CCC(C2(NC(=O)CCCC[NH+](C)C)CC2)CC1 ZINC001486490302 1085369504 /nfs/dbraw/zinc/36/95/04/1085369504.db2.gz KUCRSFFRNWNJBG-UHFFFAOYSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(C)C[NH2+]C1CC2(CC(NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000965037408 1085505173 /nfs/dbraw/zinc/50/51/73/1085505173.db2.gz WXZMXFODTPVGLX-UHFFFAOYSA-N 1 3 319.493 2.311 20 30 DEEDHO C=C(C)C[NH2+]C1CC2(CC(NC(=O)CN3CCC[C@H]3C)C2)C1 ZINC000965061230 1085511193 /nfs/dbraw/zinc/51/11/93/1085511193.db2.gz AUTADTYDEZGPHQ-XOGYLQAWSA-N 1 3 305.466 2.064 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961235272 1085648239 /nfs/dbraw/zinc/64/82/39/1085648239.db2.gz WIILHMQBLPSRPL-CVEARBPZSA-N 1 3 316.449 2.089 20 30 DEEDHO C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961235272 1085648246 /nfs/dbraw/zinc/64/82/46/1085648246.db2.gz WIILHMQBLPSRPL-CVEARBPZSA-N 1 3 316.449 2.089 20 30 DEEDHO C=C(Cl)CNCC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001273205102 1089979159 /nfs/dbraw/zinc/97/91/59/1089979159.db2.gz SXPFXGOVUIKNJU-AWEZNQCLSA-N 1 3 301.862 2.099 20 30 DEEDHO C=CCCCC[NH+]1CCC2(CCN(CC(=O)N(C)C)C2)CC1 ZINC001274974260 1091496735 /nfs/dbraw/zinc/49/67/35/1091496735.db2.gz FRSRYZATBVNRRT-UHFFFAOYSA-N 1 3 307.482 2.219 20 30 DEEDHO C=CCCCC[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001274974788 1091497188 /nfs/dbraw/zinc/49/71/88/1091497188.db2.gz RFPAATRKJKKDHO-CALCHBBNSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CCCCC[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001274974788 1091497192 /nfs/dbraw/zinc/49/71/92/1091497192.db2.gz RFPAATRKJKKDHO-CALCHBBNSA-N 1 3 307.482 2.075 20 30 DEEDHO C#CCN1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001273475817 1091869109 /nfs/dbraw/zinc/86/91/09/1091869109.db2.gz UAZPDXXMNADLQO-ROUUACIJSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001273802304 1092062083 /nfs/dbraw/zinc/06/20/83/1092062083.db2.gz UONNRKWBEDHUGG-QGZVFWFLSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CCCC1 ZINC001278259187 1138862503 /nfs/dbraw/zinc/86/25/03/1138862503.db2.gz LUQVIRMTHKMTPP-INIZCTEOSA-N 1 3 307.482 2.311 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCCCC)C2)CC1 ZINC001278449643 1140915317 /nfs/dbraw/zinc/91/53/17/1140915317.db2.gz GJJDDRLYUHEFBN-LJQANCHMSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@H+](CCCCC)C2)CC1 ZINC001278449643 1140915327 /nfs/dbraw/zinc/91/53/27/1140915327.db2.gz GJJDDRLYUHEFBN-LJQANCHMSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCOC(=O)N1CCC[C@@]2(CCN([C@@H]3CC[NH2+][C@H](C)C3)C2)C1 ZINC001246550202 1140955884 /nfs/dbraw/zinc/95/58/84/1140955884.db2.gz MGRMNWHIRBEMGG-NUJGCVRESA-N 1 3 321.465 2.237 20 30 DEEDHO C=CCOC[C@]12CCCO[C@@H]1CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246724001 1141045399 /nfs/dbraw/zinc/04/53/99/1141045399.db2.gz SVQGRYIISBQRIB-YZYRWKSTSA-N 1 3 320.477 2.343 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001322843623 1141739251 /nfs/dbraw/zinc/73/92/51/1141739251.db2.gz DRBNVLISQUONJE-KBPBESRZSA-N 1 3 301.862 2.050 20 30 DEEDHO C=CCN1CCC(NC(=O)N2CC[C@H](C[NH+](CC)CC)C2)CC1 ZINC001262360234 1144309131 /nfs/dbraw/zinc/30/91/31/1144309131.db2.gz ZZMBFDFFMDIGOQ-MRXNPFEDSA-N 1 3 322.497 2.010 20 30 DEEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001263170022 1144359435 /nfs/dbraw/zinc/35/94/35/1144359435.db2.gz FPMLOXZPCWWMLV-ROUUACIJSA-N 1 3 315.461 2.308 20 30 DEEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001263170022 1144359438 /nfs/dbraw/zinc/35/94/38/1144359438.db2.gz FPMLOXZPCWWMLV-ROUUACIJSA-N 1 3 315.461 2.308 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001264682128 1144592049 /nfs/dbraw/zinc/59/20/49/1144592049.db2.gz QNWUVMIFKGNHTM-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001266062720 1144801735 /nfs/dbraw/zinc/80/17/35/1144801735.db2.gz CBMNVPFEJPUGBH-CVEARBPZSA-N 1 3 307.482 2.454 20 30 DEEDHO C=C(C)C[N@H+]1CC=C(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001279636081 1144826377 /nfs/dbraw/zinc/82/63/77/1144826377.db2.gz HJIGVERFXQJFAB-UHFFFAOYSA-N 1 3 307.482 2.289 20 30 DEEDHO C=C(C)C[N@@H+]1CC=C(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001279636081 1144826379 /nfs/dbraw/zinc/82/63/79/1144826379.db2.gz HJIGVERFXQJFAB-UHFFFAOYSA-N 1 3 307.482 2.289 20 30 DEEDHO C#CCN(C)[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001480732032 1147168238 /nfs/dbraw/zinc/16/82/38/1147168238.db2.gz ZUXQHFJFIQEZOT-GOSISDBHSA-N 1 3 319.493 2.197 20 30 DEEDHO C#CCN(C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001480732032 1147168243 /nfs/dbraw/zinc/16/82/43/1147168243.db2.gz ZUXQHFJFIQEZOT-GOSISDBHSA-N 1 3 319.493 2.197 20 30 DEEDHO C#CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001316680195 1147300502 /nfs/dbraw/zinc/30/05/02/1147300502.db2.gz PTDXXNFXQNODTJ-SJLPKXTDSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001316690038 1147319378 /nfs/dbraw/zinc/31/93/78/1147319378.db2.gz ZMHAUWOBDHOBOH-DZGCQCFKSA-N 1 3 315.889 2.297 20 30 DEEDHO C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001316999309 1147646799 /nfs/dbraw/zinc/64/67/99/1147646799.db2.gz WFBQKFDMWMRUHI-INIZCTEOSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001326419827 1148097083 /nfs/dbraw/zinc/09/70/83/1148097083.db2.gz SEYBXRVBOHSWHX-SJORKVTESA-N 1 3 309.498 2.367 20 30 DEEDHO CN1CCN(CC2(C)CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC000339089339 530071818 /nfs/dbraw/zinc/07/18/18/530071818.db2.gz RSAIEODOAODKEW-IRXDYDNUSA-N 1 3 304.482 2.028 20 30 DEEDHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000277033658 213252057 /nfs/dbraw/zinc/25/20/57/213252057.db2.gz BGRYZCHGGKBUAR-MRXNPFEDSA-N 1 3 314.433 2.303 20 30 DEEDHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000277033658 213252058 /nfs/dbraw/zinc/25/20/58/213252058.db2.gz BGRYZCHGGKBUAR-MRXNPFEDSA-N 1 3 314.433 2.303 20 30 DEEDHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(C#N)c(F)c1 ZINC000282242047 403135535 /nfs/dbraw/zinc/13/55/35/403135535.db2.gz JCVGRLSBYZOBSV-AWEZNQCLSA-N 1 3 318.440 2.374 20 30 DEEDHO CC[NH+](CC)CCOc1ccccc1CNC(=O)C(C)C#N ZINC000345821131 403498200 /nfs/dbraw/zinc/49/82/00/403498200.db2.gz VOUCWULTQRZBBV-CQSZACIVSA-N 1 3 303.406 2.183 20 30 DEEDHO Cc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1C#N ZINC000332348535 403557307 /nfs/dbraw/zinc/55/73/07/403557307.db2.gz ALRPQALHRJNFEZ-MOPGFXCFSA-N 1 3 313.445 2.334 20 30 DEEDHO C=CCN1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000363661084 404215313 /nfs/dbraw/zinc/21/53/13/404215313.db2.gz PFVBHTREBMNGRG-MRXNPFEDSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCN1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000363661084 404215319 /nfs/dbraw/zinc/21/53/19/404215319.db2.gz PFVBHTREBMNGRG-MRXNPFEDSA-N 1 3 319.493 2.408 20 30 DEEDHO C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1=CCN(C)CC1 ZINC000329529771 404366294 /nfs/dbraw/zinc/36/62/94/404366294.db2.gz VHXUSEOUGPGSMI-ZDUSSCGKSA-N 1 3 322.497 2.450 20 30 DEEDHO N#CCCC[C@@H](N)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000424178848 405031465 /nfs/dbraw/zinc/03/14/65/405031465.db2.gz XOJYNBTUAHZVMG-QGZVFWFLSA-N 1 3 320.481 2.122 20 30 DEEDHO C=CCN1CCC([NH2+][C@@H]2CCN(CCCOCC)C[C@H]2C)CC1 ZINC000361226919 404982369 /nfs/dbraw/zinc/98/23/69/404982369.db2.gz DFQCPNHLSDAQFU-IEBWSBKVSA-N 1 3 323.525 2.363 20 30 DEEDHO C[N@H+](CCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000457172248 405737259 /nfs/dbraw/zinc/73/72/59/405737259.db2.gz UFGDMMFADYVXAH-KRWDZBQOSA-N 1 3 324.428 2.231 20 30 DEEDHO C[N@@H+](CCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000457172248 405737264 /nfs/dbraw/zinc/73/72/64/405737264.db2.gz UFGDMMFADYVXAH-KRWDZBQOSA-N 1 3 324.428 2.231 20 30 DEEDHO C[N@H+](CCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000457172250 405737376 /nfs/dbraw/zinc/73/73/76/405737376.db2.gz UFGDMMFADYVXAH-QGZVFWFLSA-N 1 3 324.428 2.231 20 30 DEEDHO C[N@@H+](CCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000457172250 405737379 /nfs/dbraw/zinc/73/73/79/405737379.db2.gz UFGDMMFADYVXAH-QGZVFWFLSA-N 1 3 324.428 2.231 20 30 DEEDHO C=C(C)CCNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000566469003 406089061 /nfs/dbraw/zinc/08/90/61/406089061.db2.gz SFXMNEDLHSBPQX-UHFFFAOYSA-N 1 3 307.482 2.265 20 30 DEEDHO N#C[C@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C1 ZINC000571624053 406544411 /nfs/dbraw/zinc/54/44/11/406544411.db2.gz HUQJAXXXKZYOSX-YJBOKZPZSA-N 1 3 313.445 2.425 20 30 DEEDHO [NH2+]=C(NCc1ccccn1)NC1CCN(Cc2ccccc2)CC1 ZINC000262333738 225269438 /nfs/dbraw/zinc/26/94/38/225269438.db2.gz RWZKYBKLHNTFCK-UHFFFAOYSA-N 1 3 323.444 2.151 20 30 DEEDHO C=CC[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)CCC[NH2+]1 ZINC000662792630 425736783 /nfs/dbraw/zinc/73/67/83/425736783.db2.gz GRQHGOHBUKJGOV-RYRKJORJSA-N 1 3 305.466 2.158 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)C(C)C ZINC000417059164 277848543 /nfs/dbraw/zinc/84/85/43/277848543.db2.gz HLXVGOXVROZKBO-FUHWJXTLSA-N 1 3 322.497 2.065 20 30 DEEDHO CC#CCCCC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000362299351 333046717 /nfs/dbraw/zinc/04/67/17/333046717.db2.gz HDUYRKGILQDCNB-KRWDZBQOSA-N 1 3 307.482 2.055 20 30 DEEDHO CC#CCCCC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000362299351 333046719 /nfs/dbraw/zinc/04/67/19/333046719.db2.gz HDUYRKGILQDCNB-KRWDZBQOSA-N 1 3 307.482 2.055 20 30 DEEDHO CC1C(NNc2cccc[nH+]2)=CC(=O)N1C(=O)OC(C)(C)C ZINC000496986267 340017594 /nfs/dbraw/zinc/01/75/94/340017594.db2.gz ZAZPAPPLFILWQZ-SNVBAGLBSA-N 1 3 304.350 2.405 20 30 DEEDHO C=CCO[C@@H]1CCN(C/C=C/C[N@@H+]2CC[C@H](OCC=C)C2)C1 ZINC001329878027 1149008526 /nfs/dbraw/zinc/00/85/26/1149008526.db2.gz KNDMTZLLEIEQSD-FBLDJFESSA-N 1 3 306.450 2.096 20 30 DEEDHO C=CCO[C@@H]1CCN(C/C=C/C[N@H+]2CC[C@H](OCC=C)C2)C1 ZINC001329878027 1149008529 /nfs/dbraw/zinc/00/85/29/1149008529.db2.gz KNDMTZLLEIEQSD-FBLDJFESSA-N 1 3 306.450 2.096 20 30 DEEDHO C=CCO[C@@H]1CC[N@@H+](C/C=C/CN2CC[C@H](OCC=C)C2)C1 ZINC001329878027 1149008535 /nfs/dbraw/zinc/00/85/35/1149008535.db2.gz KNDMTZLLEIEQSD-FBLDJFESSA-N 1 3 306.450 2.096 20 30 DEEDHO C=CCO[C@@H]1CC[N@H+](C/C=C/CN2CC[C@H](OCC=C)C2)C1 ZINC001329878027 1149008539 /nfs/dbraw/zinc/00/85/39/1149008539.db2.gz KNDMTZLLEIEQSD-FBLDJFESSA-N 1 3 306.450 2.096 20 30 DEEDHO COc1ccccc1CNC(=[NH2+])NC[C@@H](C)N1CCC(C)CC1 ZINC000170912014 534074856 /nfs/dbraw/zinc/07/48/56/534074856.db2.gz RJPJTDKRJLSUJT-OAHLLOKOSA-N 1 3 318.465 2.220 20 30 DEEDHO C[NH+]=C(NCc1cnc(C)s1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262425608 526389106 /nfs/dbraw/zinc/38/91/06/526389106.db2.gz CJMNNANLUVZERW-CQSZACIVSA-N 1 3 321.494 2.087 20 30 DEEDHO C[NH+]=C(NCc1sccc1C)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000261996000 526393379 /nfs/dbraw/zinc/39/33/79/526393379.db2.gz SLAHEKBOPRNRLR-KGLIPLIRSA-N 1 3 308.495 2.450 20 30 DEEDHO CCOc1ccc(CNC(=[NH2+])NC[C@H]2CCCN2CC)cc1F ZINC000267458872 528413241 /nfs/dbraw/zinc/41/32/41/528413241.db2.gz UITJKJPLCAFJPI-CQSZACIVSA-N 1 3 322.428 2.113 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCCC1(F)F ZINC000263025722 529074160 /nfs/dbraw/zinc/07/41/60/529074160.db2.gz AORJJXLOLYARNL-CHWSQXEVSA-N 1 3 302.413 2.201 20 30 DEEDHO CCO[C@@H](CNC(=[NH2+])NC[C@@H]1CCCN1CC)c1ccccc1 ZINC000194581319 529112258 /nfs/dbraw/zinc/11/22/58/529112258.db2.gz AEJNCCZMWSKMGO-IRXDYDNUSA-N 1 3 318.465 2.153 20 30 DEEDHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000346146114 535741402 /nfs/dbraw/zinc/74/14/02/535741402.db2.gz VPRAZFUELLMUFZ-HUUCEWRRSA-N 1 3 318.440 2.374 20 30 DEEDHO C=C(Cl)CNCC1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001368825537 1148692772 /nfs/dbraw/zinc/69/27/72/1148692772.db2.gz NNSDMMBYOZMKFY-UHFFFAOYSA-N 1 3 313.873 2.099 20 30 DEEDHO C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC000947310302 625403684 /nfs/dbraw/zinc/40/36/84/625403684.db2.gz OYXZLGWWMPOUMB-SJORKVTESA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC000947310302 625403687 /nfs/dbraw/zinc/40/36/87/625403687.db2.gz OYXZLGWWMPOUMB-SJORKVTESA-N 1 3 319.493 2.243 20 30 DEEDHO C=CCC[NH+]1CC([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC000970930301 623798377 /nfs/dbraw/zinc/79/83/77/623798377.db2.gz YEUUUBUHCZSKMM-HNNXBMFYSA-N 1 3 315.461 2.374 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604156 623818104 /nfs/dbraw/zinc/81/81/04/623818104.db2.gz BGIIBEKBEZRWEG-SJLPKXTDSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604156 623818112 /nfs/dbraw/zinc/81/81/12/623818112.db2.gz BGIIBEKBEZRWEG-SJLPKXTDSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978793936 634419545 /nfs/dbraw/zinc/41/95/45/634419545.db2.gz DBLPGDSTRWLMSM-FJIDUMEYSA-N 1 3 319.493 2.119 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978793936 634419552 /nfs/dbraw/zinc/41/95/52/634419552.db2.gz DBLPGDSTRWLMSM-FJIDUMEYSA-N 1 3 319.493 2.119 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[C@@H]1C ZINC000947615268 625863119 /nfs/dbraw/zinc/86/31/19/625863119.db2.gz HBSWICWKWCJMDU-HOTGVXAUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[C@@H]1C ZINC000947615268 625863122 /nfs/dbraw/zinc/86/31/22/625863122.db2.gz HBSWICWKWCJMDU-HOTGVXAUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974864837 633339937 /nfs/dbraw/zinc/33/99/37/633339937.db2.gz 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N#CC1(CCCC[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)CCC1 ZINC000903759996 643451945 /nfs/dbraw/zinc/45/19/45/643451945.db2.gz DNCDAXJINUEABW-MRXNPFEDSA-N 1 3 316.453 2.238 20 30 DEEDHO N#CC1(CCCC[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)CCC1 ZINC000903759996 643451949 /nfs/dbraw/zinc/45/19/49/643451949.db2.gz DNCDAXJINUEABW-MRXNPFEDSA-N 1 3 316.453 2.238 20 30 DEEDHO CC#CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940736141 648934828 /nfs/dbraw/zinc/93/48/28/648934828.db2.gz AGUHQUWOGXOREE-IRXDYDNUSA-N 1 3 319.493 2.099 20 30 DEEDHO CC#CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940736141 648934830 /nfs/dbraw/zinc/93/48/30/648934830.db2.gz AGUHQUWOGXOREE-IRXDYDNUSA-N 1 3 319.493 2.099 20 30 DEEDHO C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)C(C)(C)C1 ZINC000940790032 648941817 /nfs/dbraw/zinc/94/18/17/648941817.db2.gz SFIYNBKMIYGYNP-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)C(C)(C)C1 ZINC000940790032 648941821 /nfs/dbraw/zinc/94/18/21/648941821.db2.gz SFIYNBKMIYGYNP-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945028577 649600276 /nfs/dbraw/zinc/60/02/76/649600276.db2.gz JTYLEOXMSVDVAT-MAUKXSAKSA-N 1 3 315.461 2.374 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945028577 649600277 /nfs/dbraw/zinc/60/02/77/649600277.db2.gz JTYLEOXMSVDVAT-MAUKXSAKSA-N 1 3 315.461 2.374 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945092270 649611358 /nfs/dbraw/zinc/61/13/58/649611358.db2.gz QCZOEXONTYFAGN-MAUKXSAKSA-N 1 3 315.461 2.374 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945092270 649611359 /nfs/dbraw/zinc/61/13/59/649611359.db2.gz QCZOEXONTYFAGN-MAUKXSAKSA-N 1 3 315.461 2.374 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000854413198 652696016 /nfs/dbraw/zinc/69/60/16/652696016.db2.gz OLBMKCHYWIALRR-UHFFFAOYSA-N 1 3 324.428 2.001 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001375515505 1158796319 /nfs/dbraw/zinc/79/63/19/1158796319.db2.gz KYNOTFMQCPOOJV-ZQDZILKHSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001016651657 687675067 /nfs/dbraw/zinc/67/50/67/687675067.db2.gz JRRLNSQDVDUKSP-SJORKVTESA-N 1 3 319.493 2.408 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001016860958 687720516 /nfs/dbraw/zinc/72/05/16/687720516.db2.gz LHKDQHMREYLXFX-IAGOWNOFSA-N 1 3 319.493 2.406 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001033466011 689510983 /nfs/dbraw/zinc/51/09/83/689510983.db2.gz BNUVRYXPRKKONL-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001033466011 689510984 /nfs/dbraw/zinc/51/09/84/689510984.db2.gz BNUVRYXPRKKONL-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033504132 689524326 /nfs/dbraw/zinc/52/43/26/689524326.db2.gz DGVSKOPMSHFRIV-GOSISDBHSA-N 1 3 315.461 2.471 20 30 DEEDHO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001034204254 689761223 /nfs/dbraw/zinc/76/12/23/689761223.db2.gz LDKQVRNCSYVIHQ-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001034204254 689761225 /nfs/dbraw/zinc/76/12/25/689761225.db2.gz LDKQVRNCSYVIHQ-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001034204700 689762042 /nfs/dbraw/zinc/76/20/42/689762042.db2.gz PGFAGKGBDDVCGF-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001034204700 689762043 /nfs/dbraw/zinc/76/20/43/689762043.db2.gz PGFAGKGBDDVCGF-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000876723742 689916127 /nfs/dbraw/zinc/91/61/27/689916127.db2.gz GNBGQKNMTQUSIL-MRXNPFEDSA-N 1 3 321.852 2.021 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000876723742 689916129 /nfs/dbraw/zinc/91/61/29/689916129.db2.gz GNBGQKNMTQUSIL-MRXNPFEDSA-N 1 3 321.852 2.021 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000876723816 689916207 /nfs/dbraw/zinc/91/62/07/689916207.db2.gz XVRZEMCPDUDVSE-UONOGXRCSA-N 1 3 301.862 2.083 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000876725807 689916797 /nfs/dbraw/zinc/91/67/97/689916797.db2.gz XXGOSJXVBXROOE-OCCSQVGLSA-N 1 3 301.862 2.085 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000876725807 689916799 /nfs/dbraw/zinc/91/67/99/689916799.db2.gz XXGOSJXVBXROOE-OCCSQVGLSA-N 1 3 301.862 2.085 20 30 DEEDHO C=CC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001034645217 689917867 /nfs/dbraw/zinc/91/78/67/689917867.db2.gz SNIWOWOBZIEOPW-WKILWMFISA-N 1 3 307.482 2.454 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000876769663 689931615 /nfs/dbraw/zinc/93/16/15/689931615.db2.gz 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ZINC000878302574 690372893 /nfs/dbraw/zinc/37/28/93/690372893.db2.gz QXFPNBXEHMDPPD-DFNIBXOVSA-N 1 3 303.494 2.423 20 30 DEEDHO C#CCCCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000878302574 690372894 /nfs/dbraw/zinc/37/28/94/690372894.db2.gz QXFPNBXEHMDPPD-DFNIBXOVSA-N 1 3 303.494 2.423 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036853987 690499814 /nfs/dbraw/zinc/49/98/14/690499814.db2.gz CHNBQLIHGPXXMF-MSOLQXFVSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036853987 690499816 /nfs/dbraw/zinc/49/98/16/690499816.db2.gz CHNBQLIHGPXXMF-MSOLQXFVSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CCN1CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001038405555 690809215 /nfs/dbraw/zinc/80/92/15/690809215.db2.gz OUMFAZCKWFIGCT-INIZCTEOSA-N 1 3 305.466 2.019 20 30 DEEDHO C=CCC[NH+]1CCC2(CCN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001040849429 691292832 /nfs/dbraw/zinc/29/28/32/691292832.db2.gz REVIFXUYEHTODR-KRWDZBQOSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001041723557 691417493 /nfs/dbraw/zinc/41/74/93/691417493.db2.gz IVSFNQNVZCNQDC-HKUYNNGSSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001041723557 691417496 /nfs/dbraw/zinc/41/74/96/691417496.db2.gz IVSFNQNVZCNQDC-HKUYNNGSSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001044630267 691861489 /nfs/dbraw/zinc/86/14/89/691861489.db2.gz UMWRUKKNKJVJOT-UONOGXRCSA-N 1 3 313.873 2.192 20 30 DEEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049819750 693011266 /nfs/dbraw/zinc/01/12/66/693011266.db2.gz HUNDVRRMSWSNPV-QZTJIDSGSA-N 1 3 319.493 2.358 20 30 DEEDHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(OCC#N)cc1 ZINC000925786164 693342219 /nfs/dbraw/zinc/34/22/19/693342219.db2.gz WKBRUHXHSYAODV-OCCSQVGLSA-N 1 3 309.360 2.484 20 30 DEEDHO C=CC[NH2+]Cc1ccc(CNC(=O)CN(C)C2CCC2)c(F)c1 ZINC001333473940 1150055259 /nfs/dbraw/zinc/05/52/59/1150055259.db2.gz SOFRBKRKLKNLKM-UHFFFAOYSA-N 1 3 319.424 2.202 20 30 DEEDHO C=C(Cl)CNC[C@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001392764926 1157395903 /nfs/dbraw/zinc/39/59/03/1157395903.db2.gz MZNYLMYZUDGPBT-GJZGRUSLSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CNC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001392764926 1157395909 /nfs/dbraw/zinc/39/59/09/1157395909.db2.gz MZNYLMYZUDGPBT-GJZGRUSLSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CN[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001401340135 1161938419 /nfs/dbraw/zinc/93/84/19/1161938419.db2.gz TYUGMEHIRYOUTI-SOUVJXGZSA-N 1 3 315.889 2.200 20 30 DEEDHO C=C(Cl)CN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC001401340135 1161938421 /nfs/dbraw/zinc/93/84/21/1161938421.db2.gz TYUGMEHIRYOUTI-SOUVJXGZSA-N 1 3 315.889 2.200 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001406706711 1164804488 /nfs/dbraw/zinc/80/44/88/1164804488.db2.gz BIAQTZUKACVDIW-GJZGRUSLSA-N 1 3 315.889 2.344 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001436473481 1179127072 /nfs/dbraw/zinc/12/70/72/1179127072.db2.gz DOBMRYDEUSWBFV-OAHLLOKOSA-N 1 3 315.889 2.442 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001436473481 1179127080 /nfs/dbraw/zinc/12/70/80/1179127080.db2.gz DOBMRYDEUSWBFV-OAHLLOKOSA-N 1 3 315.889 2.442 20 30 DEEDHO CCCCCCCC[C@@H](N)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001122157646 782462673 /nfs/dbraw/zinc/46/26/73/782462673.db2.gz RDRFMPZUZXXGNH-JHJVBQTASA-N 1 3 323.403 2.412 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255725 782580002 /nfs/dbraw/zinc/58/00/02/782580002.db2.gz FHXRNAOZXPSRLU-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001106664965 782839995 /nfs/dbraw/zinc/83/99/95/782839995.db2.gz DHMPIDYIGASHBA-IXDOHACOSA-N 1 3 307.482 2.121 20 30 DEEDHO C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2CC)CC(C)(C)C1 ZINC001089565438 783213744 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DEEDHO C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968378114 784338757 /nfs/dbraw/zinc/33/87/57/784338757.db2.gz NTOWEZJNUAOCIV-NVXWUHKLSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001112586348 786165447 /nfs/dbraw/zinc/16/54/47/786165447.db2.gz VIOIESTUGQEYRC-SCTDSRPQSA-N 1 3 319.493 2.265 20 30 DEEDHO C=CCN1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132493586 788104765 /nfs/dbraw/zinc/10/47/65/788104765.db2.gz MGPQCTGPYCHETR-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)CC[C@@H]1C ZINC001132937252 788231652 /nfs/dbraw/zinc/23/16/52/788231652.db2.gz IZMFQMRKKBNELJ-JKSUJKDBSA-N 1 3 309.498 2.367 20 30 DEEDHO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CCCCCC ZINC001135691194 789451311 /nfs/dbraw/zinc/45/13/11/789451311.db2.gz PUZFIBALZDEGFP-DLBZAZTESA-N 1 3 309.498 2.395 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091666529 791636627 /nfs/dbraw/zinc/63/66/27/791636627.db2.gz AYPBJIDGYWUECQ-AOIWGVFYSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091666529 791636632 /nfs/dbraw/zinc/63/66/32/791636632.db2.gz AYPBJIDGYWUECQ-AOIWGVFYSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001148277657 791728224 /nfs/dbraw/zinc/72/82/24/791728224.db2.gz JZNINVPRXFCDBH-DLBZAZTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001148277657 791728227 /nfs/dbraw/zinc/72/82/27/791728227.db2.gz JZNINVPRXFCDBH-DLBZAZTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCN1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477209 791752343 /nfs/dbraw/zinc/75/23/43/791752343.db2.gz MPLPFUOPKRCCGQ-MRXNPFEDSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001086907739 791845063 /nfs/dbraw/zinc/84/50/63/791845063.db2.gz AGYIOXGLHBEFJO-DLBZAZTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001086907741 791845370 /nfs/dbraw/zinc/84/53/70/791845370.db2.gz AGYIOXGLHBEFJO-IRXDYDNUSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101364080 793133969 /nfs/dbraw/zinc/13/39/69/793133969.db2.gz MOODZVICQNNRKV-LMMKCTJWSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101364080 793133972 /nfs/dbraw/zinc/13/39/72/793133972.db2.gz MOODZVICQNNRKV-LMMKCTJWSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103088426 793936005 /nfs/dbraw/zinc/93/60/05/793936005.db2.gz AMTCGXSHHLGIGA-KBAYOESNSA-N 1 3 321.509 2.367 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103088426 793936009 /nfs/dbraw/zinc/93/60/09/793936009.db2.gz AMTCGXSHHLGIGA-KBAYOESNSA-N 1 3 321.509 2.367 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001103677007 794188140 /nfs/dbraw/zinc/18/81/40/794188140.db2.gz FOYXGDRCPVQYHC-GDBMZVCRSA-N 1 3 318.465 2.301 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001103677007 794188144 /nfs/dbraw/zinc/18/81/44/794188144.db2.gz FOYXGDRCPVQYHC-GDBMZVCRSA-N 1 3 318.465 2.301 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)CCCC[NH2+]CC(=C)C)CC1 ZINC001176737662 794483906 /nfs/dbraw/zinc/48/39/06/794483906.db2.gz MGKFWGPMNMPOQQ-QGZVFWFLSA-N 1 3 319.493 2.172 20 30 DEEDHO C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CCC[C@H]1C ZINC001177415544 794665986 /nfs/dbraw/zinc/66/59/86/794665986.db2.gz BOYQWPZMGKPAAG-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCC[NH2+]C1(CNC(=O)[C@H](C2CC2)N(C)C)CCCCC1 ZINC001115573113 794826473 /nfs/dbraw/zinc/82/64/73/794826473.db2.gz INSOPXQFHBHODF-INIZCTEOSA-N 1 3 307.482 2.311 20 30 DEEDHO CC#CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCCCC1 ZINC001115661490 794867055 /nfs/dbraw/zinc/86/70/55/794867055.db2.gz BWBXOQGTGOUSHE-UHFFFAOYSA-N 1 3 319.493 2.293 20 30 DEEDHO CC#CC[NH2+]C[C@]1(C)CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001182623981 795715196 /nfs/dbraw/zinc/71/51/96/795715196.db2.gz WYECGTSAJQHXOV-VQIMIIECSA-N 1 3 321.509 2.062 20 30 DEEDHO C=CCCC[NH2+]C[C@]1(C)CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001183228653 795828059 /nfs/dbraw/zinc/82/80/59/795828059.db2.gz OSYXANCVBOKTBU-SJLPKXTDSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)N(CC)CC)[C@@H]2C1 ZINC001189111268 796764530 /nfs/dbraw/zinc/76/45/30/796764530.db2.gz XWKRXMWCKJTESK-GVDBMIGSSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)N(CC)CC)[C@@H]2C1 ZINC001189111268 796764532 /nfs/dbraw/zinc/76/45/32/796764532.db2.gz XWKRXMWCKJTESK-GVDBMIGSSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190646138 797048136 /nfs/dbraw/zinc/04/81/36/797048136.db2.gz XWRBNEPWLXAMIV-HOTGVXAUSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190646138 797048144 /nfs/dbraw/zinc/04/81/44/797048144.db2.gz XWRBNEPWLXAMIV-HOTGVXAUSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192407166 797386506 /nfs/dbraw/zinc/38/65/06/797386506.db2.gz RYRZWOPJUGCCJG-INIZCTEOSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192407166 797386513 /nfs/dbraw/zinc/38/65/13/797386513.db2.gz RYRZWOPJUGCCJG-INIZCTEOSA-N 1 3 309.498 2.463 20 30 DEEDHO C#CCCN1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001196641620 798082321 /nfs/dbraw/zinc/08/23/21/798082321.db2.gz JJHORZMXXYZYQS-UHFFFAOYSA-N 1 3 319.493 2.199 20 30 DEEDHO C#CCCN1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001196641620 798082327 /nfs/dbraw/zinc/08/23/27/798082327.db2.gz JJHORZMXXYZYQS-UHFFFAOYSA-N 1 3 319.493 2.199 20 30 DEEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001158067268 798336159 /nfs/dbraw/zinc/33/61/59/798336159.db2.gz ZHALIGHYONFMAY-QZTJIDSGSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001158067268 798336164 /nfs/dbraw/zinc/33/61/64/798336164.db2.gz ZHALIGHYONFMAY-QZTJIDSGSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(Cl)CNCCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001159900937 798623666 /nfs/dbraw/zinc/62/36/66/798623666.db2.gz DTOPFILKZJUATG-CQSZACIVSA-N 1 3 301.862 2.098 20 30 DEEDHO C=C(Cl)CNCCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001159900937 798623669 /nfs/dbraw/zinc/62/36/69/798623669.db2.gz DTOPFILKZJUATG-CQSZACIVSA-N 1 3 301.862 2.098 20 30 DEEDHO C=C(C)C[N@H+]1CC=C(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001160380222 798681538 /nfs/dbraw/zinc/68/15/38/798681538.db2.gz VNPFAZKQGCHYJD-UHFFFAOYSA-N 1 3 305.466 2.185 20 30 DEEDHO C=C(C)C[N@@H+]1CC=C(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001160380222 798681541 /nfs/dbraw/zinc/68/15/41/798681541.db2.gz VNPFAZKQGCHYJD-UHFFFAOYSA-N 1 3 305.466 2.185 20 30 DEEDHO C=CCC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001160406346 798684345 /nfs/dbraw/zinc/68/43/45/798684345.db2.gz NYVIYCDESKBDAB-KRWDZBQOSA-N 1 3 307.482 2.287 20 30 DEEDHO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001160406346 798684348 /nfs/dbraw/zinc/68/43/48/798684348.db2.gz NYVIYCDESKBDAB-KRWDZBQOSA-N 1 3 307.482 2.287 20 30 DEEDHO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114406343 799090322 /nfs/dbraw/zinc/09/03/22/799090322.db2.gz AJSJNFQSCMVPNS-FVQHAEBGSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114406343 799090330 /nfs/dbraw/zinc/09/03/30/799090330.db2.gz AJSJNFQSCMVPNS-FVQHAEBGSA-N 1 3 319.493 2.264 20 30 DEEDHO CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)N(C)C ZINC001114463019 799128902 /nfs/dbraw/zinc/12/89/02/799128902.db2.gz CRCNXLSOVBPGIC-TWMKSMIVSA-N 1 3 309.498 2.343 20 30 DEEDHO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)N(C)C ZINC001114463019 799128905 /nfs/dbraw/zinc/12/89/05/799128905.db2.gz CRCNXLSOVBPGIC-TWMKSMIVSA-N 1 3 309.498 2.343 20 30 DEEDHO COc1ccc(NCC2(N(C)C)CC[NH+](C)CC2)c(CC#N)c1 ZINC001164213596 799540550 /nfs/dbraw/zinc/54/05/50/799540550.db2.gz XULHPGXUCRWRAY-UHFFFAOYSA-N 1 3 316.449 2.199 20 30 DEEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1CCC)C2 ZINC001095498778 799632779 /nfs/dbraw/zinc/63/27/79/799632779.db2.gz DRBMZIFQRMRIMW-LTIDMASMSA-N 1 3 305.466 2.158 20 30 DEEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1CCC)C2 ZINC001095498778 799632783 /nfs/dbraw/zinc/63/27/83/799632783.db2.gz DRBMZIFQRMRIMW-LTIDMASMSA-N 1 3 305.466 2.158 20 30 DEEDHO C=C(Cl)C[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001205469564 800361559 /nfs/dbraw/zinc/36/15/59/800361559.db2.gz MMPUSWSRRVCIGZ-UHFFFAOYSA-N 1 3 313.873 2.051 20 30 DEEDHO C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001208014488 800893362 /nfs/dbraw/zinc/89/33/62/800893362.db2.gz QRXJUPNUTBHXHK-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3cnccc3N)C2)c1 ZINC001209738289 801270723 /nfs/dbraw/zinc/27/07/23/801270723.db2.gz XVQZGDYAGTVBFA-KRWDZBQOSA-N 1 3 308.385 2.409 20 30 DEEDHO N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3cnccc3N)C2)c1 ZINC001209738289 801270726 /nfs/dbraw/zinc/27/07/26/801270726.db2.gz XVQZGDYAGTVBFA-KRWDZBQOSA-N 1 3 308.385 2.409 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CCCCC)C2)CC1 ZINC001330708506 1149264261 /nfs/dbraw/zinc/26/42/61/1149264261.db2.gz NRSRQTHKZWNGJF-SAABIXHNSA-N 1 3 319.493 2.006 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)CN(C)CC(C)(C)C ZINC001328764264 1148832501 /nfs/dbraw/zinc/83/25/01/1148832501.db2.gz JUFOEFWGKPPJTM-MRXNPFEDSA-N 1 3 309.498 2.463 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)CN(C)CC(C)(C)C ZINC001328764264 1148832504 /nfs/dbraw/zinc/83/25/04/1148832504.db2.gz JUFOEFWGKPPJTM-MRXNPFEDSA-N 1 3 309.498 2.463 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CCC)C2CCCC2)CC1 ZINC001500130068 1058511560 /nfs/dbraw/zinc/51/15/60/1058511560.db2.gz AGWKJESUCYBJSH-GOSISDBHSA-N 1 3 319.493 2.006 20 30 DEEDHO C#CCN1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001502129492 1059969387 /nfs/dbraw/zinc/96/93/87/1059969387.db2.gz GVBQRMJMFHNPBI-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001505397410 1060525362 /nfs/dbraw/zinc/52/53/62/1060525362.db2.gz FDELSYVNMZKFCH-QGZVFWFLSA-N 1 3 309.498 2.463 20 30 DEEDHO C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001505397410 1060525380 /nfs/dbraw/zinc/52/53/80/1060525380.db2.gz FDELSYVNMZKFCH-QGZVFWFLSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CC[C@H](C)C1 ZINC001479572744 1061507692 /nfs/dbraw/zinc/50/76/92/1061507692.db2.gz QTYIJUMGIHHVGV-IKGGRYGDSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)CCC)C(C)(C)[C@H]21 ZINC001479613554 1061519753 /nfs/dbraw/zinc/51/97/53/1061519753.db2.gz NEZDYSPEIZNUAH-PVAVHDDUSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)CCC)C(C)(C)[C@H]21 ZINC001479613554 1061519767 /nfs/dbraw/zinc/51/97/67/1061519767.db2.gz NEZDYSPEIZNUAH-PVAVHDDUSA-N 1 3 307.482 2.119 20 30 DEEDHO C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCCCN1CC)C(C)C ZINC001506489107 1062037350 /nfs/dbraw/zinc/03/73/50/1062037350.db2.gz OHYQXZFXOCNCAQ-ROUUACIJSA-N 1 3 321.509 2.347 20 30 DEEDHO C=CCC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001506625772 1062208452 /nfs/dbraw/zinc/20/84/52/1062208452.db2.gz FKXICPRVXDZCCI-HUUCEWRRSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001567626714 1064290252 /nfs/dbraw/zinc/29/02/52/1064290252.db2.gz FXHBMCZOTCKBIQ-WBVHZDCISA-N 1 3 309.498 2.365 20 30 DEEDHO C=C(C)C[NH2+]CC1(NC(=O)[C@H]2CCCN2C(C)C)CCCC1 ZINC001567998350 1064585150 /nfs/dbraw/zinc/58/51/50/1064585150.db2.gz JCQYVGHPMLIXMM-MRXNPFEDSA-N 1 3 307.482 2.454 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001568357840 1064801959 /nfs/dbraw/zinc/80/19/59/1064801959.db2.gz MKRRVLMMTINCJE-WBVHZDCISA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001568393094 1064832493 /nfs/dbraw/zinc/83/24/93/1064832493.db2.gz CWSBHAJJQGEYHW-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001569386057 1065480850 /nfs/dbraw/zinc/48/08/50/1065480850.db2.gz IYGASXUBDZCEMX-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001569400279 1065489298 /nfs/dbraw/zinc/48/92/98/1065489298.db2.gz KQKCEVWLHAZHSY-JKSUJKDBSA-N 1 3 307.482 2.452 20 30 DEEDHO C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C(C)C)N(C)C ZINC001569442867 1065510076 /nfs/dbraw/zinc/51/00/76/1065510076.db2.gz MGVGQPAKWHAEEC-FBVQUNGASA-N 1 3 319.493 2.098 20 30 DEEDHO C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C(C)C)N(C)C ZINC001569442868 1065510590 /nfs/dbraw/zinc/51/05/90/1065510590.db2.gz MGVGQPAKWHAEEC-HQSKLWIPSA-N 1 3 319.493 2.098 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001569518693 1065562446 /nfs/dbraw/zinc/56/24/46/1065562446.db2.gz KVJIVJWPEGHKAA-CVEARBPZSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001569828215 1065749768 /nfs/dbraw/zinc/74/97/68/1065749768.db2.gz HRCQMUSMGLBGDN-CRAIPNDOSA-N 1 3 315.461 2.374 20 30 DEEDHO CC1CC[NH+](C2CCC(NC(=O)[C@@H](N)CCCC#N)CC2)CC1 ZINC001576728964 1066672514 /nfs/dbraw/zinc/67/25/14/1066672514.db2.gz AOYDTSRGRPUKLL-JCYILVPMSA-N 1 3 320.481 2.167 20 30 DEEDHO N#C[C@@H](c1ccccc1)N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC001580036092 1067477673 /nfs/dbraw/zinc/47/76/73/1067477673.db2.gz NHHBVYGSAYGDDI-IBGZPJMESA-N 1 3 312.461 2.259 20 30 DEEDHO N#Cc1cc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1F ZINC001580062418 1067485995 /nfs/dbraw/zinc/48/59/95/1067485995.db2.gz YLPLEAJMFFODOR-QILLFSRXSA-N 1 3 317.408 2.416 20 30 DEEDHO C#CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001570667273 1068060335 /nfs/dbraw/zinc/06/03/35/1068060335.db2.gz BMFXDQYCHFKKEA-ABHNRTSZSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCC[NH2+]CC1(NC(=O)[C@H]2CCCN2C(C)C)CCCCC1 ZINC001570796078 1068119961 /nfs/dbraw/zinc/11/99/61/1068119961.db2.gz CVSOECGRQFKDTA-QGZVFWFLSA-N 1 3 319.493 2.291 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001267267891 1078714761 /nfs/dbraw/zinc/71/47/61/1078714761.db2.gz TULGPYXNTGDKDZ-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001267267891 1078714765 /nfs/dbraw/zinc/71/47/65/1078714765.db2.gz TULGPYXNTGDKDZ-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C#CCC[NH+]1CCC([C@H](C)NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001571648746 1068458504 /nfs/dbraw/zinc/45/85/04/1068458504.db2.gz DMVJIXXMDVCSGV-INIZCTEOSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CC[N@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001483817519 1079131824 /nfs/dbraw/zinc/13/18/24/1079131824.db2.gz PDRFLXGMOXKCNK-INIZCTEOSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001483817519 1079131826 /nfs/dbraw/zinc/13/18/26/1079131826.db2.gz PDRFLXGMOXKCNK-INIZCTEOSA-N 1 3 319.493 2.217 20 30 DEEDHO C#CCN(C(=O)CN1[C@@H](C)CC[C@@H]1C)C1CC[NH+](CCC)CC1 ZINC001483989602 1079228195 /nfs/dbraw/zinc/22/81/95/1079228195.db2.gz PODFJZKPDWONQB-IRXDYDNUSA-N 1 3 319.493 2.195 20 30 DEEDHO C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001267707591 1079393507 /nfs/dbraw/zinc/39/35/07/1079393507.db2.gz BNYOLZVKBMNZCP-KRWDZBQOSA-N 1 3 315.461 2.328 20 30 DEEDHO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001267707591 1079393512 /nfs/dbraw/zinc/39/35/12/1079393512.db2.gz BNYOLZVKBMNZCP-KRWDZBQOSA-N 1 3 315.461 2.328 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001566875514 1075370782 /nfs/dbraw/zinc/37/07/82/1075370782.db2.gz WFLPHWKBBBKPAO-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001566875514 1075370784 /nfs/dbraw/zinc/37/07/84/1075370784.db2.gz WFLPHWKBBBKPAO-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001566967804 1075402945 /nfs/dbraw/zinc/40/29/45/1075402945.db2.gz WJIRLVZJNCGXFM-GDBMZVCRSA-N 1 3 318.465 2.444 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001566967804 1075402946 /nfs/dbraw/zinc/40/29/46/1075402946.db2.gz WJIRLVZJNCGXFM-GDBMZVCRSA-N 1 3 318.465 2.444 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1CCC ZINC001566972836 1075404190 /nfs/dbraw/zinc/40/41/90/1075404190.db2.gz NHUXMSYWIUWUMM-IECFSIQFSA-N 1 3 319.493 2.262 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1CCC ZINC001566972836 1075404196 /nfs/dbraw/zinc/40/41/96/1075404196.db2.gz NHUXMSYWIUWUMM-IECFSIQFSA-N 1 3 319.493 2.262 20 30 DEEDHO C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001567054172 1075423856 /nfs/dbraw/zinc/42/38/56/1075423856.db2.gz LSCWLGBVDUQVJO-PBHICJAKSA-N 1 3 313.461 2.259 20 30 DEEDHO C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001484393896 1079588586 /nfs/dbraw/zinc/58/85/86/1079588586.db2.gz DNIPJLOHHUJOSW-WKILWMFISA-N 1 3 307.482 2.169 20 30 DEEDHO C#CC[NH2+][C@@H]1CCN(C(=O)CN(C)CCCCCC)[C@@H](C)C1 ZINC001671250909 1079639416 /nfs/dbraw/zinc/63/94/16/1079639416.db2.gz GBLHJKAUGKTUPQ-DLBZAZTESA-N 1 3 307.482 2.101 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001484618740 1079690241 /nfs/dbraw/zinc/69/02/41/1079690241.db2.gz UZIZAZUVJBCIQA-QGZVFWFLSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CC[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCCC1 ZINC001268035295 1079862472 /nfs/dbraw/zinc/86/24/72/1079862472.db2.gz XYXBLEJSRNFRME-UHFFFAOYSA-N 1 3 307.482 2.456 20 30 DEEDHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]CCC(C)(C)C)CC1 ZINC001485002781 1079911314 /nfs/dbraw/zinc/91/13/14/1079911314.db2.gz ZAIBZFTVQCCDRC-INIZCTEOSA-N 1 3 321.509 2.252 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(CC)CC)CC1 ZINC001485229283 1080077077 /nfs/dbraw/zinc/07/70/77/1080077077.db2.gz IORJEZBQNOQETP-CVEARBPZSA-N 1 3 321.509 2.251 20 30 DEEDHO C#CCCN1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H]1C ZINC001657044112 1080149527 /nfs/dbraw/zinc/14/95/27/1080149527.db2.gz OKUFANYOOZZPIE-FGTMMUONSA-N 1 3 319.493 2.099 20 30 DEEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)[C@H]1C ZINC001657044112 1080149531 /nfs/dbraw/zinc/14/95/31/1080149531.db2.gz OKUFANYOOZZPIE-FGTMMUONSA-N 1 3 319.493 2.099 20 30 DEEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)[C@H]1C ZINC001657044112 1080149533 /nfs/dbraw/zinc/14/95/33/1080149533.db2.gz OKUFANYOOZZPIE-FGTMMUONSA-N 1 3 319.493 2.099 20 30 DEEDHO C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001268181453 1080171226 /nfs/dbraw/zinc/17/12/26/1080171226.db2.gz XSQHEQUGONSINH-JKSUJKDBSA-N 1 3 309.498 2.367 20 30 DEEDHO CN(CCC#N)c1ccc(CN[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC001658778261 1080217823 /nfs/dbraw/zinc/21/78/23/1080217823.db2.gz UUQKHGOPTQDWIG-YTQUADARSA-N 1 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1080809665 /nfs/dbraw/zinc/80/96/65/1080809665.db2.gz VLQQSLVFRXEQLY-KRWDZBQOSA-N 1 3 305.466 2.160 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001268810941 1081001901 /nfs/dbraw/zinc/00/19/01/1081001901.db2.gz CMMKXTWOGMTNRK-UHFFFAOYSA-N 1 3 301.862 2.051 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001269097283 1081114773 /nfs/dbraw/zinc/11/47/73/1081114773.db2.gz YSHPDURFKUFEHU-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001269097283 1081114774 /nfs/dbraw/zinc/11/47/74/1081114774.db2.gz YSHPDURFKUFEHU-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001269254643 1081185128 /nfs/dbraw/zinc/18/51/28/1081185128.db2.gz CWXKENOJPACXRX-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001269254643 1081185131 /nfs/dbraw/zinc/18/51/31/1081185131.db2.gz CWXKENOJPACXRX-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO 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C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)C1CC1 ZINC001265372388 1144699369 /nfs/dbraw/zinc/69/93/69/1144699369.db2.gz ICWSKGGCUQKOCX-WBVHZDCISA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCCCCC[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001265446754 1144704688 /nfs/dbraw/zinc/70/46/88/1144704688.db2.gz PSOFTDORFCVUNI-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001281839880 1144916114 /nfs/dbraw/zinc/91/61/14/1144916114.db2.gz GSEJHOFZRGWLKN-GOSISDBHSA-N 1 3 321.509 2.156 20 30 DEEDHO CC#CC[N@H+](CC)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001281839880 1144916116 /nfs/dbraw/zinc/91/61/16/1144916116.db2.gz GSEJHOFZRGWLKN-GOSISDBHSA-N 1 3 321.509 2.156 20 30 DEEDHO CC#CCN[C@@H]1C[C@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001284001292 1145745014 /nfs/dbraw/zinc/74/50/14/1145745014.db2.gz PVGVKKZSQGVFCM-DLBZAZTESA-N 1 3 319.493 2.243 20 30 DEEDHO CC#CCN[C@@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001284001292 1145745021 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319.493 2.357 20 30 DEEDHO C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317047067 1147653103 /nfs/dbraw/zinc/65/31/03/1147653103.db2.gz GROWYRLRDJJTOR-IGKNDFSCSA-N 1 3 319.493 2.357 20 30 DEEDHO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)CN(C)C ZINC000291659147 404467527 /nfs/dbraw/zinc/46/75/27/404467527.db2.gz DURXUEUTWXMART-AWEZNQCLSA-N 1 3 311.433 2.246 20 30 DEEDHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(C#N)cc1 ZINC000181467643 199302106 /nfs/dbraw/zinc/30/21/06/199302106.db2.gz YHJBMTWAYSGLMT-HNNXBMFYSA-N 1 3 300.450 2.235 20 30 DEEDHO CN1CCC(N2CCC([NH2+][C@@H]3CCC[C@H](C#N)C3)CC2)CC1 ZINC000192787187 282697497 /nfs/dbraw/zinc/69/74/97/282697497.db2.gz MDJKLTUUSMKLQK-DOTOQJQBSA-N 1 3 304.482 2.217 20 30 DEEDHO C[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CN1 ZINC000600707344 359803893 /nfs/dbraw/zinc/80/38/93/359803893.db2.gz AXOPUIJZTZCYRK-BEFAXECRSA-N 1 3 312.461 2.253 20 30 DEEDHO C[C@@H]1CC[C@H](NC2CCN(Cc3ccc(C#N)cc3)CC2)C[NH2+]1 ZINC000600707344 359803897 /nfs/dbraw/zinc/80/38/97/359803897.db2.gz AXOPUIJZTZCYRK-BEFAXECRSA-N 1 3 312.461 2.253 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000458319199 248261503 /nfs/dbraw/zinc/26/15/03/248261503.db2.gz KREGFQAPMGAWAR-KRWDZBQOSA-N 1 3 322.497 2.151 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000458319199 248261507 /nfs/dbraw/zinc/26/15/07/248261507.db2.gz KREGFQAPMGAWAR-KRWDZBQOSA-N 1 3 322.497 2.151 20 30 DEEDHO CCOc1cccc(CCNC(=[NH2+])NC[C@@H]2CCCN2CC)c1 ZINC000135114396 401927266 /nfs/dbraw/zinc/92/72/66/401927266.db2.gz JXQBUNSAYRJHHL-INIZCTEOSA-N 1 3 318.465 2.016 20 30 DEEDHO C[NH+]=C(NCc1ccc(C)s1)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000158470817 402306649 /nfs/dbraw/zinc/30/66/49/402306649.db2.gz AVUVUPNYPYHIBM-WFASDCNBSA-N 1 3 308.495 2.450 20 30 DEEDHO C=CCC[C@@H](O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000348332448 404060512 /nfs/dbraw/zinc/06/05/12/404060512.db2.gz UTTQMZAMWUOWMD-CEXWTWQISA-N 1 3 300.446 2.377 20 30 DEEDHO C=CCC[C@@H](O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000348332448 404060517 /nfs/dbraw/zinc/06/05/17/404060517.db2.gz UTTQMZAMWUOWMD-CEXWTWQISA-N 1 3 300.446 2.377 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000358797777 404776020 /nfs/dbraw/zinc/77/60/20/404776020.db2.gz XTXQLUZFVYDXRN-HOTGVXAUSA-N 1 3 322.497 2.199 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000358797777 404776023 /nfs/dbraw/zinc/77/60/23/404776023.db2.gz XTXQLUZFVYDXRN-HOTGVXAUSA-N 1 3 322.497 2.199 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCCC[C@H]1C[NH3+])C(C)C ZINC000417061750 405023087 /nfs/dbraw/zinc/02/30/87/405023087.db2.gz LETMOPGISFWKNZ-IRXDYDNUSA-N 1 3 322.497 2.208 20 30 DEEDHO N#CCCC[C@@H](N)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000424079579 404998512 /nfs/dbraw/zinc/99/85/12/404998512.db2.gz RHVVLSZJDLTHHD-MRXNPFEDSA-N 1 3 320.481 2.313 20 30 DEEDHO C=CC[C@H](CO)CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423018528 405695622 /nfs/dbraw/zinc/69/56/22/405695622.db2.gz RJPQACGURVOKOV-QILLFSRXSA-N 1 3 302.418 2.017 20 30 DEEDHO C[C@@H]1C[NH+]=C(NCC2CCN(Cc3ccccc3Cl)CC2)N1 ZINC000262477796 225272765 /nfs/dbraw/zinc/27/27/65/225272765.db2.gz CKQNUEGARDAFGY-CYBMUJFWSA-N 1 3 320.868 2.489 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000417538593 276862475 /nfs/dbraw/zinc/86/24/75/276862475.db2.gz NKOZTLSJWPXQLX-MRXNPFEDSA-N 1 3 322.497 2.104 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)C(C)C ZINC000291990218 277847675 /nfs/dbraw/zinc/84/76/75/277847675.db2.gz BBONVRPXOUZUNJ-IRXDYDNUSA-N 1 3 307.482 2.333 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000176154430 500572274 /nfs/dbraw/zinc/57/22/74/500572274.db2.gz ZMPJOCAMECKZRL-DLBZAZTESA-N 1 3 322.497 2.199 20 30 DEEDHO C[N@H+](CCCN1CCCC1)CCC(=O)Nc1ccccc1C#N ZINC000337267772 522745692 /nfs/dbraw/zinc/74/56/92/522745692.db2.gz JKJLRXLLJYOCOL-UHFFFAOYSA-N 1 3 314.433 2.305 20 30 DEEDHO C[N@@H+](CCCN1CCCC1)CCC(=O)Nc1ccccc1C#N ZINC000337267772 522745704 /nfs/dbraw/zinc/74/57/04/522745704.db2.gz JKJLRXLLJYOCOL-UHFFFAOYSA-N 1 3 314.433 2.305 20 30 DEEDHO C=C(Cl)CNC[C@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001378930301 1152494906 /nfs/dbraw/zinc/49/49/06/1152494906.db2.gz WJOGQRZEQUFGJD-ZFWWWQNUSA-N 1 3 315.889 2.297 20 30 DEEDHO C=C(Cl)CNC[C@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001378930301 1152494913 /nfs/dbraw/zinc/49/49/13/1152494913.db2.gz WJOGQRZEQUFGJD-ZFWWWQNUSA-N 1 3 315.889 2.297 20 30 DEEDHO C=CCN1CCC(NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423371231 526421107 /nfs/dbraw/zinc/42/11/07/526421107.db2.gz FFORZRWCQWZZNV-KRWDZBQOSA-N 1 3 315.461 2.479 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000358794904 526433646 /nfs/dbraw/zinc/43/36/46/526433646.db2.gz IZTYEHGQGOBCMA-HOTGVXAUSA-N 1 3 322.497 2.056 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000358794904 526433651 /nfs/dbraw/zinc/43/36/51/526433651.db2.gz IZTYEHGQGOBCMA-HOTGVXAUSA-N 1 3 322.497 2.056 20 30 DEEDHO C=CCOc1ccccc1CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000267454567 526930286 /nfs/dbraw/zinc/93/02/86/526930286.db2.gz SNEJEYZAVSGPOY-MRXNPFEDSA-N 1 3 316.449 2.140 20 30 DEEDHO CCOCc1ccc(CNC(=[NH2+])NC[C@@H]2CCCN2CC)cc1 ZINC000264127012 529034559 /nfs/dbraw/zinc/03/45/59/529034559.db2.gz WPZJRWCUIRMYLS-KRWDZBQOSA-N 1 3 318.465 2.112 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000193301798 529073910 /nfs/dbraw/zinc/07/39/10/529073910.db2.gz UDTUKYVISGJCPE-OWCLPIDISA-N 1 3 304.413 2.070 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCCc1nc(C)cs1 ZINC000264248213 529100197 /nfs/dbraw/zinc/10/01/97/529100197.db2.gz GNOKRFGDMSSFPC-AWEZNQCLSA-N 1 3 323.510 2.163 20 30 DEEDHO C=CC[C@@H]1CCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000890552601 622655528 /nfs/dbraw/zinc/65/55/28/622655528.db2.gz MRYGKXNPVSJJMM-GOSISDBHSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001023130412 625164902 /nfs/dbraw/zinc/16/49/02/625164902.db2.gz MURGLDICLKQMGW-IYBDPMFKSA-N 1 3 301.434 2.175 20 30 DEEDHO C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027886011 634874021 /nfs/dbraw/zinc/87/40/21/634874021.db2.gz MQKDOWWEURKZMB-AEFFLSMTSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027886011 634874024 /nfs/dbraw/zinc/87/40/24/634874024.db2.gz MQKDOWWEURKZMB-AEFFLSMTSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC000981958522 635764850 /nfs/dbraw/zinc/76/48/50/635764850.db2.gz MFLHVIYLQNVWCK-KRWDZBQOSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC000981958522 635764853 /nfs/dbraw/zinc/76/48/53/635764853.db2.gz MFLHVIYLQNVWCK-KRWDZBQOSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001002955311 635859991 /nfs/dbraw/zinc/85/99/91/635859991.db2.gz KITFFVPPDNWCAH-QGZVFWFLSA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001004547477 636484790 /nfs/dbraw/zinc/48/47/90/636484790.db2.gz NCYICDKDXFAEIX-ROUUACIJSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001004547477 636484794 /nfs/dbraw/zinc/48/47/94/636484794.db2.gz NCYICDKDXFAEIX-ROUUACIJSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831670 636495983 /nfs/dbraw/zinc/49/59/83/636495983.db2.gz PSTVTIFMMPLJOP-AMBYYYRHSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831670 636495986 /nfs/dbraw/zinc/49/59/86/636495986.db2.gz PSTVTIFMMPLJOP-AMBYYYRHSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001005586056 636789391 /nfs/dbraw/zinc/78/93/91/636789391.db2.gz UKBOUWDRVJLTIC-SJORKVTESA-N 1 3 305.466 2.112 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001005586056 636789399 /nfs/dbraw/zinc/78/93/99/636789399.db2.gz UKBOUWDRVJLTIC-SJORKVTESA-N 1 3 305.466 2.112 20 30 DEEDHO CC(C)(C)[C@]1(C[NH3+])CCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000923413231 637166936 /nfs/dbraw/zinc/16/69/36/637166936.db2.gz FAQPFEJXLBBZOY-WMZOPIPTSA-N 1 3 301.434 2.289 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000764578291 640657494 /nfs/dbraw/zinc/65/74/94/640657494.db2.gz RIMNCYFCHVUINL-KRWDZBQOSA-N 1 3 315.461 2.227 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000901026641 642547972 /nfs/dbraw/zinc/54/79/72/642547972.db2.gz VFFCYQYNNXIQFZ-AEFFLSMTSA-N 1 3 315.461 2.274 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC000992715131 647194324 /nfs/dbraw/zinc/19/43/24/647194324.db2.gz RRRMNOJMTPJUQF-CGTJXYLNSA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001015387493 647287833 /nfs/dbraw/zinc/28/78/33/647287833.db2.gz LVRRDYBOPCIVPO-IRXDYDNUSA-N 1 3 305.466 2.018 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001015387493 647287837 /nfs/dbraw/zinc/28/78/37/647287837.db2.gz LVRRDYBOPCIVPO-IRXDYDNUSA-N 1 3 305.466 2.018 20 30 DEEDHO CC#CCN1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947881711 648509405 /nfs/dbraw/zinc/50/94/05/648509405.db2.gz HNKLHESVMFLYFD-SJLPKXTDSA-N 1 3 319.493 2.099 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940863647 648957378 /nfs/dbraw/zinc/95/73/78/648957378.db2.gz FREQQDRJJRVJOR-HNNXBMFYSA-N 1 3 305.466 2.018 20 30 DEEDHO C#CCN1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000948372287 649096985 /nfs/dbraw/zinc/09/69/85/649096985.db2.gz BHNIIZPLDFJNEN-KRWDZBQOSA-N 1 3 319.493 2.197 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001390084909 1155522603 /nfs/dbraw/zinc/52/26/03/1155522603.db2.gz RFSHZZSMFSLWQT-CQSZACIVSA-N 1 3 313.873 2.051 20 30 DEEDHO C#CCCN(C)CCN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001568491588 1158262933 /nfs/dbraw/zinc/26/29/33/1158262933.db2.gz SETSXXBDHXETEQ-UHFFFAOYSA-N 1 3 307.482 2.055 20 30 DEEDHO C#CCCN(C)CCN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001568491588 1158262957 /nfs/dbraw/zinc/26/29/57/1158262957.db2.gz SETSXXBDHXETEQ-UHFFFAOYSA-N 1 3 307.482 2.055 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1C ZINC000304754371 685259979 /nfs/dbraw/zinc/25/99/79/685259979.db2.gz LVIJMMBIMGPTDV-HYVNUMGLSA-N 1 3 300.450 2.240 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001054199389 693880581 /nfs/dbraw/zinc/88/05/81/693880581.db2.gz VQZILXFAGXLUSN-FUHWJXTLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001054199389 693880583 /nfs/dbraw/zinc/88/05/83/693880583.db2.gz VQZILXFAGXLUSN-FUHWJXTLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033856719 689640260 /nfs/dbraw/zinc/64/02/60/689640260.db2.gz VYNAYYOAMGYKDU-MSOLQXFVSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033856719 689640264 /nfs/dbraw/zinc/64/02/64/689640264.db2.gz VYNAYYOAMGYKDU-MSOLQXFVSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000876523698 689846077 /nfs/dbraw/zinc/84/60/77/689846077.db2.gz BIWSFXQBBXHSNU-CABCVRRESA-N 1 3 309.841 2.396 20 30 DEEDHO C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001034439265 689851092 /nfs/dbraw/zinc/85/10/92/689851092.db2.gz SSRAQDNSZFCMRK-ROUUACIJSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001034439265 689851097 /nfs/dbraw/zinc/85/10/97/689851097.db2.gz SSRAQDNSZFCMRK-ROUUACIJSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001034750833 689940607 /nfs/dbraw/zinc/94/06/07/689940607.db2.gz ZJZZKRWNLTXYEH-BRWVUGGUSA-N 1 3 307.482 2.452 20 30 DEEDHO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)N(C)C)CC2 ZINC001035197992 690057677 /nfs/dbraw/zinc/05/76/77/690057677.db2.gz ZBDBTQYESDLORD-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)N(C)C)CC2 ZINC001035197992 690057678 /nfs/dbraw/zinc/05/76/78/690057678.db2.gz ZBDBTQYESDLORD-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001036055658 690247805 /nfs/dbraw/zinc/24/78/05/690247805.db2.gz QQZCDBMFKSOWTC-TZMCWYRMSA-N 1 3 313.873 2.050 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001039138264 691030534 /nfs/dbraw/zinc/03/05/34/691030534.db2.gz XBIKXAUNSILMME-IAGOWNOFSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001039138264 691030536 /nfs/dbraw/zinc/03/05/36/691030536.db2.gz XBIKXAUNSILMME-IAGOWNOFSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039153631 691033860 /nfs/dbraw/zinc/03/38/60/691033860.db2.gz DHSGQBACNLNOFT-QZTJIDSGSA-N 1 3 321.509 2.319 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039153631 691033862 /nfs/dbraw/zinc/03/38/62/691033862.db2.gz DHSGQBACNLNOFT-QZTJIDSGSA-N 1 3 321.509 2.319 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001039159452 691035491 /nfs/dbraw/zinc/03/54/91/691035491.db2.gz OHJFSZMROBODFH-MSOLQXFVSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001039159452 691035493 /nfs/dbraw/zinc/03/54/93/691035493.db2.gz OHJFSZMROBODFH-MSOLQXFVSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039163330 691037064 /nfs/dbraw/zinc/03/70/64/691037064.db2.gz AKIUPDXFIUAVFH-AEFFLSMTSA-N 1 3 319.493 2.075 20 30 DEEDHO C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039163330 691037066 /nfs/dbraw/zinc/03/70/66/691037066.db2.gz AKIUPDXFIUAVFH-AEFFLSMTSA-N 1 3 319.493 2.075 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039239648 691064683 /nfs/dbraw/zinc/06/46/83/691064683.db2.gz UGUJNJGEXCJVCL-DOTOQJQBSA-N 1 3 316.449 2.231 20 30 DEEDHO C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039239648 691064687 /nfs/dbraw/zinc/06/46/87/691064687.db2.gz UGUJNJGEXCJVCL-DOTOQJQBSA-N 1 3 316.449 2.231 20 30 DEEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001039379930 691092935 /nfs/dbraw/zinc/09/29/35/691092935.db2.gz CQQKHSMYIXSUPQ-VSZNYVQBSA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001039379930 691092938 /nfs/dbraw/zinc/09/29/38/691092938.db2.gz CQQKHSMYIXSUPQ-VSZNYVQBSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001040836583 691291711 /nfs/dbraw/zinc/29/17/11/691291711.db2.gz TUQPWKGOWGRBLE-MRXNPFEDSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001041723560 691417179 /nfs/dbraw/zinc/41/71/79/691417179.db2.gz IVSFNQNVZCNQDC-PKOBYXMFSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001041723560 691417181 /nfs/dbraw/zinc/41/71/81/691417181.db2.gz IVSFNQNVZCNQDC-PKOBYXMFSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049637941 692948461 /nfs/dbraw/zinc/94/84/61/692948461.db2.gz JCHHKORSLYXAHX-HZPDHXFCSA-N 1 3 305.466 2.112 20 30 DEEDHO C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049637934 692948563 /nfs/dbraw/zinc/94/85/63/692948563.db2.gz JCHHKORSLYXAHX-HOTGVXAUSA-N 1 3 305.466 2.112 20 30 DEEDHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(OCC#N)cc1 ZINC000925786162 693342233 /nfs/dbraw/zinc/34/22/33/693342233.db2.gz WKBRUHXHSYAODV-GXTWGEPZSA-N 1 3 309.360 2.484 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001052763284 693613998 /nfs/dbraw/zinc/61/39/98/693613998.db2.gz GCQAZEOIHYOIKM-ZWKOTPCHSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001052763284 693614000 /nfs/dbraw/zinc/61/40/00/693614000.db2.gz GCQAZEOIHYOIKM-ZWKOTPCHSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001052764416 693614545 /nfs/dbraw/zinc/61/45/45/693614545.db2.gz OUTYQYPMJJLDMH-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001052764416 693614547 /nfs/dbraw/zinc/61/45/47/693614547.db2.gz OUTYQYPMJJLDMH-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CN1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001332217566 1149836451 /nfs/dbraw/zinc/83/64/51/1149836451.db2.gz IHRRNEIQDYLNKI-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCC[NH2+]C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C(C)(C)C ZINC001332859794 1149905461 /nfs/dbraw/zinc/90/54/61/1149905461.db2.gz KCKPMFWDYUAQGJ-IAGOWNOFSA-N 1 3 321.509 2.395 20 30 DEEDHO C=CCCC[C@@H](N)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC001357620505 1152318835 /nfs/dbraw/zinc/31/88/35/1152318835.db2.gz VERCKVLPTMLRLI-GFCCVEGCSA-N 1 3 308.451 2.232 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001406706727 1164804605 /nfs/dbraw/zinc/80/46/05/1164804605.db2.gz BIAQTZUKACVDIW-LSDHHAIUSA-N 1 3 315.889 2.344 20 30 DEEDHO C=C(Cl)CN[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001438816679 1180821575 /nfs/dbraw/zinc/82/15/75/1180821575.db2.gz VTRHVTJNHIJCJE-AWEZNQCLSA-N 1 3 315.889 2.344 20 30 DEEDHO C=C(Cl)CN[C@@H](CNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001444883653 1183620349 /nfs/dbraw/zinc/62/03/49/1183620349.db2.gz SOUOEWLCTZXQPH-AWEZNQCLSA-N 1 3 313.873 2.098 20 30 DEEDHO C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001099116120 782226455 /nfs/dbraw/zinc/22/64/55/782226455.db2.gz OALOJFDSRKUSCM-IRXDYDNUSA-N 1 3 321.509 2.203 20 30 DEEDHO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001099116120 782226458 /nfs/dbraw/zinc/22/64/58/782226458.db2.gz OALOJFDSRKUSCM-IRXDYDNUSA-N 1 3 321.509 2.203 20 30 DEEDHO C=CCCC[C@@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001122210693 782477889 /nfs/dbraw/zinc/47/78/89/782477889.db2.gz OXPAWYPIVFVLFO-NVXWUHKLSA-N 1 3 307.482 2.298 20 30 DEEDHO C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001104319055 777042101 /nfs/dbraw/zinc/04/21/01/777042101.db2.gz ACZQQPCSUGKXON-ZACQAIPSSA-N 1 3 309.498 2.223 20 30 DEEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1ccccc1 ZINC001211729692 778789594 /nfs/dbraw/zinc/78/95/94/778789594.db2.gz GNPZGILYPAFXQF-ZWKOTPCHSA-N 1 3 315.461 2.097 20 30 DEEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001088617005 780624395 /nfs/dbraw/zinc/62/43/95/780624395.db2.gz UZUMWFLNDAPZRV-ZACQAIPSSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001088617005 780624398 /nfs/dbraw/zinc/62/43/98/780624398.db2.gz UZUMWFLNDAPZRV-ZACQAIPSSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1C ZINC001088692932 780827569 /nfs/dbraw/zinc/82/75/69/780827569.db2.gz DSVXJJJLNPBRPB-IXDOHACOSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1C ZINC001088692932 780827576 /nfs/dbraw/zinc/82/75/76/780827576.db2.gz DSVXJJJLNPBRPB-IXDOHACOSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000967709216 784098700 /nfs/dbraw/zinc/09/87/00/784098700.db2.gz XLRTXYWQDJOUKK-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000967709216 784098705 /nfs/dbraw/zinc/09/87/05/784098705.db2.gz XLRTXYWQDJOUKK-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[NH2+]C1CC(CNC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001091318881 791087965 /nfs/dbraw/zinc/08/79/65/791087965.db2.gz UBLUNQMGSMGFON-OFLPRAFFSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(CC)CC)C2 ZINC001108784702 785538417 /nfs/dbraw/zinc/53/84/17/785538417.db2.gz YHFMBGIFIODKLL-KKUMJFAQSA-N 1 3 313.873 2.050 20 30 DEEDHO C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(CC)CC)C2 ZINC001112548550 786157335 /nfs/dbraw/zinc/15/73/35/786157335.db2.gz FSLSGZPTLANPNI-WMZOPIPTSA-N 1 3 307.482 2.123 20 30 DEEDHO C=CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001086558508 786220502 /nfs/dbraw/zinc/22/05/02/786220502.db2.gz VZCXLPSWTKDAAF-KOMQPUFPSA-N 1 3 301.434 2.032 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001015387491 787027117 /nfs/dbraw/zinc/02/71/17/787027117.db2.gz LVRRDYBOPCIVPO-IAGOWNOFSA-N 1 3 305.466 2.018 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001015387491 787027122 /nfs/dbraw/zinc/02/71/22/787027122.db2.gz LVRRDYBOPCIVPO-IAGOWNOFSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](F)CN(CC)CC ZINC001158029658 787453667 /nfs/dbraw/zinc/45/36/67/787453667.db2.gz LKHJBQVOCKTOJM-CVEARBPZSA-N 1 3 313.461 2.165 20 30 DEEDHO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](F)CN(CC)CC ZINC001158029658 787453672 /nfs/dbraw/zinc/45/36/72/787453672.db2.gz LKHJBQVOCKTOJM-CVEARBPZSA-N 1 3 313.461 2.165 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)CC[C@H]1C ZINC001132937251 788231070 /nfs/dbraw/zinc/23/10/70/788231070.db2.gz IZMFQMRKKBNELJ-HZPDHXFCSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135467464 789356283 /nfs/dbraw/zinc/35/62/83/789356283.db2.gz GKKPIKUXURTJGQ-KBPBESRZSA-N 1 3 315.889 2.344 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC(C)C)CC1 ZINC001146610398 791323017 /nfs/dbraw/zinc/32/30/17/791323017.db2.gz JAJUMIWEHRMCJR-IRXDYDNUSA-N 1 3 321.509 2.251 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC=C)CC1 ZINC001146614573 791324625 /nfs/dbraw/zinc/32/46/25/791324625.db2.gz YPAJFVVZWMHUDD-SJORKVTESA-N 1 3 319.493 2.171 20 30 DEEDHO C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001086907742 791845508 /nfs/dbraw/zinc/84/55/08/791845508.db2.gz AGYIOXGLHBEFJO-SJORKVTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001086907877 791846305 /nfs/dbraw/zinc/84/63/05/791846305.db2.gz GERCJXKYCZXAJH-IRXDYDNUSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@]2(C)C1 ZINC001092302275 791973182 /nfs/dbraw/zinc/97/31/82/791973182.db2.gz WNTLZOHQNBPWTD-AOIWGVFYSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@]2(C)C1 ZINC001092302275 791973183 /nfs/dbraw/zinc/97/31/83/791973183.db2.gz WNTLZOHQNBPWTD-AOIWGVFYSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCC1)C2 ZINC001110161946 793043684 /nfs/dbraw/zinc/04/36/84/793043684.db2.gz ZOUUNJAVCXSEQQ-OWSLCNJRSA-N 1 3 319.493 2.404 20 30 DEEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCC1)C2 ZINC001110161946 793043699 /nfs/dbraw/zinc/04/36/99/793043699.db2.gz ZOUUNJAVCXSEQQ-OWSLCNJRSA-N 1 3 319.493 2.404 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001103087617 793934971 /nfs/dbraw/zinc/93/49/71/793934971.db2.gz JWSQDBVVXUNFFI-NXHRZFHOSA-N 1 3 321.509 2.367 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001103087617 793934978 /nfs/dbraw/zinc/93/49/78/793934978.db2.gz JWSQDBVVXUNFFI-NXHRZFHOSA-N 1 3 321.509 2.367 20 30 DEEDHO C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC001175317811 794181230 /nfs/dbraw/zinc/18/12/30/794181230.db2.gz QRWFCKKGGGACSG-KBPBESRZSA-N 1 3 303.878 2.344 20 30 DEEDHO C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001176760437 794499267 /nfs/dbraw/zinc/49/92/67/794499267.db2.gz WOPYXHUQJHLLSD-DLBZAZTESA-N 1 3 307.482 2.149 20 30 DEEDHO C=C(C)CC[NH2+]CCCNC(=O)c1ccccc1CN(C)C ZINC001176948242 794539035 /nfs/dbraw/zinc/53/90/35/794539035.db2.gz MJUXGYYOEGFXEK-UHFFFAOYSA-N 1 3 303.450 2.424 20 30 DEEDHO C=C(Cl)CNCCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177332299 794642851 /nfs/dbraw/zinc/64/28/51/794642851.db2.gz OVDIBJUAJDYNDO-UHFFFAOYSA-N 1 3 301.862 2.101 20 30 DEEDHO CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]c1C ZINC001115170065 794696032 /nfs/dbraw/zinc/69/60/32/794696032.db2.gz KTPDPKNZPUHHLC-HWWDLCQESA-N 1 3 318.465 2.277 20 30 DEEDHO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]c1C ZINC001115170065 794696037 /nfs/dbraw/zinc/69/60/37/794696037.db2.gz KTPDPKNZPUHHLC-HWWDLCQESA-N 1 3 318.465 2.277 20 30 DEEDHO C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H](CC)N(C)C ZINC001179608966 795143087 /nfs/dbraw/zinc/14/30/87/795143087.db2.gz ATBSFQLUFQEQGS-AWEZNQCLSA-N 1 3 303.878 2.345 20 30 DEEDHO C=C(C)C[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CCCCC1 ZINC001120069194 795401606 /nfs/dbraw/zinc/40/16/06/795401606.db2.gz XAEMDFJWCTWGEG-UHFFFAOYSA-N 1 3 304.438 2.245 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001120440901 795460940 /nfs/dbraw/zinc/46/09/40/795460940.db2.gz UXJMUOQBGQOBES-IRXDYDNUSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001120440901 795460944 /nfs/dbraw/zinc/46/09/44/795460944.db2.gz UXJMUOQBGQOBES-IRXDYDNUSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001120470196 795467685 /nfs/dbraw/zinc/46/76/85/795467685.db2.gz PAYWHMNJAZKNNG-IRXDYDNUSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001120470196 795467687 /nfs/dbraw/zinc/46/76/87/795467687.db2.gz PAYWHMNJAZKNNG-IRXDYDNUSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCC[NH2+]C[C@]1(C)CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001181746344 795531005 /nfs/dbraw/zinc/53/10/05/795531005.db2.gz QDAXGFPXLCDAKW-NVXWUHKLSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001182517027 795696809 /nfs/dbraw/zinc/69/68/09/795696809.db2.gz PKXRSVMDOAQZQL-JFIYKMOQSA-N 1 3 309.498 2.223 20 30 DEEDHO C=CCCC[NH2+]C1CC2(CC(NC(=O)CN(CC)CC)C2)C1 ZINC001121936083 795707117 /nfs/dbraw/zinc/70/71/17/795707117.db2.gz ZWIZWMAWPNCFKT-UHFFFAOYSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001185546400 796288933 /nfs/dbraw/zinc/28/89/33/796288933.db2.gz BLWAMPYJTQQCLO-SJORKVTESA-N 1 3 309.498 2.369 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N(C)CC)C12CCC2 ZINC001203103870 796649774 /nfs/dbraw/zinc/64/97/74/796649774.db2.gz NJCUASRBRQCHJZ-GJZGRUSLSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001158082322 798339909 /nfs/dbraw/zinc/33/99/09/798339909.db2.gz BRLYJQNIFBGLRY-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001158082322 798339917 /nfs/dbraw/zinc/33/99/17/798339917.db2.gz BRLYJQNIFBGLRY-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001158090356 798341221 /nfs/dbraw/zinc/34/12/21/798341221.db2.gz WYLDPMNPEMSLEO-QGZVFWFLSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001158090356 798341226 /nfs/dbraw/zinc/34/12/26/798341226.db2.gz WYLDPMNPEMSLEO-QGZVFWFLSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160353544 798678880 /nfs/dbraw/zinc/67/88/80/798678880.db2.gz XFIRFBCHOLKHEJ-KRWDZBQOSA-N 1 3 305.466 2.041 20 30 DEEDHO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160353544 798678884 /nfs/dbraw/zinc/67/88/84/798678884.db2.gz XFIRFBCHOLKHEJ-KRWDZBQOSA-N 1 3 305.466 2.041 20 30 DEEDHO C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001160406230 798684203 /nfs/dbraw/zinc/68/42/03/798684203.db2.gz KPZQNOOIORGULB-KRWDZBQOSA-N 1 3 307.482 2.287 20 30 DEEDHO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001160406230 798684205 /nfs/dbraw/zinc/68/42/05/798684205.db2.gz KPZQNOOIORGULB-KRWDZBQOSA-N 1 3 307.482 2.287 20 30 DEEDHO C#CCN1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001161491776 798869294 /nfs/dbraw/zinc/86/92/94/798869294.db2.gz ONDYBTYWOXUKLF-GOSISDBHSA-N 1 3 319.493 2.124 20 30 DEEDHO C=C(Cl)C[NH2+]CC1(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001165509356 799739744 /nfs/dbraw/zinc/73/97/44/799739744.db2.gz YSZHSPBWBUMLOM-UHFFFAOYSA-N 1 3 313.873 2.099 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203649317 800099336 /nfs/dbraw/zinc/09/93/36/800099336.db2.gz AJRCLHOOMXRZRH-CVEARBPZSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001203903048 800144776 /nfs/dbraw/zinc/14/47/76/800144776.db2.gz JNDUTKSGPOAUMK-KRWDZBQOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001204793842 800258017 /nfs/dbraw/zinc/25/80/17/800258017.db2.gz PHDFAJYUDGWVMW-NVXWUHKLSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001208050469 800902456 /nfs/dbraw/zinc/90/24/56/800902456.db2.gz YWGOXBYCWUAHKN-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209660627 801249149 /nfs/dbraw/zinc/24/91/49/801249149.db2.gz QZZJISKUYCVKSJ-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209836438 801293198 /nfs/dbraw/zinc/29/31/98/801293198.db2.gz KNJYPILDAAIIEX-OAHLLOKOSA-N 1 3 304.438 2.279 20 30 DEEDHO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001230618396 801438770 /nfs/dbraw/zinc/43/87/70/801438770.db2.gz MLCJUMIKUCORAY-GOSISDBHSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001230618396 801438774 /nfs/dbraw/zinc/43/87/74/801438774.db2.gz MLCJUMIKUCORAY-GOSISDBHSA-N 1 3 319.493 2.055 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001211256383 801537773 /nfs/dbraw/zinc/53/77/73/801537773.db2.gz FDWKTPCVNBZRDD-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C1CC[NH2+]C[C@H]1Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001218211154 802153879 /nfs/dbraw/zinc/15/38/79/802153879.db2.gz RNKQFLCQOVHMHS-GOSISDBHSA-N 1 3 301.434 2.125 20 30 DEEDHO C=CCCCCC[C@H](N)C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218533568 802201184 /nfs/dbraw/zinc/20/11/84/802201184.db2.gz POMSADKUPSRFAS-NEPJUHHUSA-N 1 3 322.478 2.361 20 30 DEEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc(F)c(C#N)c1F ZINC001218915757 802260301 /nfs/dbraw/zinc/26/03/01/802260301.db2.gz QWFGEZGASSZSAV-ZDUSSCGKSA-N 1 3 324.375 2.271 20 30 DEEDHO C=CCCCCCCCC[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222521573 802700555 /nfs/dbraw/zinc/70/05/55/802700555.db2.gz WJGILXZSCOGVBW-IBGZPJMESA-N 1 3 319.493 2.315 20 30 DEEDHO C=CCCCCCCCC[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222521573 802700561 /nfs/dbraw/zinc/70/05/61/802700561.db2.gz WJGILXZSCOGVBW-IBGZPJMESA-N 1 3 319.493 2.315 20 30 DEEDHO C=CCCC[NH+]1CCC(CNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001224538566 802880326 /nfs/dbraw/zinc/88/03/26/802880326.db2.gz XZIYENOLQUWSNA-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001227669051 803264832 /nfs/dbraw/zinc/26/48/32/803264832.db2.gz KHNYGSMKGMTRDB-KRWDZBQOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001328765705 1148833100 /nfs/dbraw/zinc/83/31/00/1148833100.db2.gz NPHJHCXQDPBDEM-HOCLYGCPSA-N 1 3 304.438 2.230 20 30 DEEDHO C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001328765705 1148833101 /nfs/dbraw/zinc/83/31/01/1148833101.db2.gz NPHJHCXQDPBDEM-HOCLYGCPSA-N 1 3 304.438 2.230 20 30 DEEDHO C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001479835598 1061867818 /nfs/dbraw/zinc/86/78/18/1061867818.db2.gz XWKCVJAOJMXHNZ-LSDHHAIUSA-N 1 3 315.889 2.440 20 30 DEEDHO C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001479835598 1061867827 /nfs/dbraw/zinc/86/78/27/1061867827.db2.gz XWKCVJAOJMXHNZ-LSDHHAIUSA-N 1 3 315.889 2.440 20 30 DEEDHO C=CC[NH2+][C@H](C)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001493837285 1063984471 /nfs/dbraw/zinc/98/44/71/1063984471.db2.gz RYLOBKXFPSOZAR-OAHLLOKOSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001494198738 1064169113 /nfs/dbraw/zinc/16/91/13/1064169113.db2.gz UAEJQFNJXNREJT-QGZVFWFLSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001494198738 1064169124 /nfs/dbraw/zinc/16/91/24/1064169124.db2.gz UAEJQFNJXNREJT-QGZVFWFLSA-N 1 3 309.498 2.463 20 30 DEEDHO C#CCC[NH2+]C[C@@]1(NC(=O)CN(C)C(C)C)CCCC[C@@H]1C ZINC001568043886 1064614687 /nfs/dbraw/zinc/61/46/87/1064614687.db2.gz QEVFAFQCGMPICH-WMZOPIPTSA-N 1 3 307.482 2.005 20 30 DEEDHO C#CCC[NH2+][C@H](CNC(=O)c1cccc(CN(C)C)c1)C(C)C ZINC001568470569 1064892580 /nfs/dbraw/zinc/89/25/80/1064892580.db2.gz QLHAWNGWJCQOEV-GOSISDBHSA-N 1 3 315.461 2.116 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001568542139 1064954603 /nfs/dbraw/zinc/95/46/03/1064954603.db2.gz ZMMNFZDIAKHKBR-HUUCEWRRSA-N 1 3 304.438 2.101 20 30 DEEDHO C#CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001569715736 1065688316 /nfs/dbraw/zinc/68/83/16/1065688316.db2.gz QCYNQOVRKYEKKH-PKOBYXMFSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001569715736 1065688320 /nfs/dbraw/zinc/68/83/20/1065688320.db2.gz QCYNQOVRKYEKKH-PKOBYXMFSA-N 1 3 319.493 2.101 20 30 DEEDHO N#Cc1ccc(N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)c(F)c1 ZINC001580069721 1067488821 /nfs/dbraw/zinc/48/88/21/1067488821.db2.gz FVKDKPVNSGKXNY-OAHLLOKOSA-N 1 3 316.424 2.209 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001267297645 1078743159 /nfs/dbraw/zinc/74/31/59/1078743159.db2.gz DYWMDDMLYAIDIK-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001267297645 1078743167 /nfs/dbraw/zinc/74/31/67/1078743167.db2.gz DYWMDDMLYAIDIK-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCN[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001267357863 1078790306 /nfs/dbraw/zinc/79/03/06/1078790306.db2.gz SQZVSYJVPPYPCO-MSOLQXFVSA-N 1 3 315.461 2.492 20 30 DEEDHO C=CCN[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001267357863 1078790308 /nfs/dbraw/zinc/79/03/08/1078790308.db2.gz SQZVSYJVPPYPCO-MSOLQXFVSA-N 1 3 315.461 2.492 20 30 DEEDHO C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001267591127 1079103735 /nfs/dbraw/zinc/10/37/35/1079103735.db2.gz AIVULHSOOYRDCW-GOSISDBHSA-N 1 3 321.509 2.465 20 30 DEEDHO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001267591127 1079103737 /nfs/dbraw/zinc/10/37/37/1079103737.db2.gz AIVULHSOOYRDCW-GOSISDBHSA-N 1 3 321.509 2.465 20 30 DEEDHO C=C(C)C[N@H+](C)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001566490801 1075259132 /nfs/dbraw/zinc/25/91/32/1075259132.db2.gz CYOGDQWTGFUJEQ-QGZVFWFLSA-N 1 3 313.461 2.213 20 30 DEEDHO C=C(C)C[N@@H+](C)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001566490801 1075259135 /nfs/dbraw/zinc/25/91/35/1075259135.db2.gz CYOGDQWTGFUJEQ-QGZVFWFLSA-N 1 3 313.461 2.213 20 30 DEEDHO C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001267697670 1079385072 /nfs/dbraw/zinc/38/50/72/1079385072.db2.gz TYSSJCCURUSZSM-GOSISDBHSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001267697670 1079385078 /nfs/dbraw/zinc/38/50/78/1079385078.db2.gz TYSSJCCURUSZSM-GOSISDBHSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267703649 1079391556 /nfs/dbraw/zinc/39/15/56/1079391556.db2.gz SOGNSBDRJHNOBP-IRXDYDNUSA-N 1 3 309.498 2.319 20 30 DEEDHO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267703649 1079391563 /nfs/dbraw/zinc/39/15/63/1079391563.db2.gz SOGNSBDRJHNOBP-IRXDYDNUSA-N 1 3 309.498 2.319 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001567155160 1075447122 /nfs/dbraw/zinc/44/71/22/1075447122.db2.gz MZCNSABAIUPBCT-KRWDZBQOSA-N 1 3 315.461 2.376 20 30 DEEDHO C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)C1CCC1)C2 ZINC001484388781 1079583902 /nfs/dbraw/zinc/58/39/02/1079583902.db2.gz KIHXLXNSRHFBKC-ACHSLPGTSA-N 1 3 305.466 2.016 20 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1080356120 /nfs/dbraw/zinc/35/61/20/1080356120.db2.gz LAIAPSHXQALXED-HDICACEKSA-N 1 3 316.449 2.089 20 30 DEEDHO C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC001485668936 1080356127 /nfs/dbraw/zinc/35/61/27/1080356127.db2.gz LAIAPSHXQALXED-HDICACEKSA-N 1 3 316.449 2.089 20 30 DEEDHO C#CCCN1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481753353 1080440915 /nfs/dbraw/zinc/44/09/15/1080440915.db2.gz SVYNURZWHOJDEC-QZTJIDSGSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001664462341 1080912331 /nfs/dbraw/zinc/91/23/31/1080912331.db2.gz FXHBMCZOTCKBIQ-NVXWUHKLSA-N 1 3 309.498 2.365 20 30 DEEDHO C#CCCN1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001665646628 1081056158 /nfs/dbraw/zinc/05/61/58/1081056158.db2.gz AZYNTKYGUHOLNT-KRWDZBQOSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)CN2CC[C@H](C)C2)C1 ZINC001665731378 1081072599 /nfs/dbraw/zinc/07/25/99/1081072599.db2.gz LFZWVEXMUFAANN-IRXDYDNUSA-N 1 3 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/nfs/dbraw/zinc/77/24/31/1081772431.db2.gz HGOPGZUHJUCZGP-UHFFFAOYSA-N 1 3 321.509 2.443 20 30 DEEDHO C=CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001270965106 1081856775 /nfs/dbraw/zinc/85/67/75/1081856775.db2.gz AEYGEHCOSLVGPU-FUHWJXTLSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001270965106 1081856782 /nfs/dbraw/zinc/85/67/82/1081856782.db2.gz AEYGEHCOSLVGPU-FUHWJXTLSA-N 1 3 309.498 2.367 20 30 DEEDHO CC#CC[N@H+](C)CCC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001271790158 1082154996 /nfs/dbraw/zinc/15/49/96/1082154996.db2.gz HHUHJDJWSGDQAO-GOSISDBHSA-N 1 3 321.509 2.156 20 30 DEEDHO CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001271790158 1082155002 /nfs/dbraw/zinc/15/50/02/1082155002.db2.gz HHUHJDJWSGDQAO-GOSISDBHSA-N 1 3 321.509 2.156 20 30 DEEDHO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)C(C)C)C2 ZINC001671599606 1082249039 /nfs/dbraw/zinc/24/90/39/1082249039.db2.gz ZCJVNVNRGFSCHC-SFHVURJKSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)C(C)C)C2 ZINC001671599606 1082249044 /nfs/dbraw/zinc/24/90/44/1082249044.db2.gz ZCJVNVNRGFSCHC-SFHVURJKSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001266663232 1082257537 /nfs/dbraw/zinc/25/75/37/1082257537.db2.gz MACCQBQKZYIJJC-IRXDYDNUSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001266663232 1082257546 /nfs/dbraw/zinc/25/75/46/1082257546.db2.gz MACCQBQKZYIJJC-IRXDYDNUSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001266662263 1082258105 /nfs/dbraw/zinc/25/81/05/1082258105.db2.gz DEKUVTIYBDAFSK-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001266662263 1082258109 /nfs/dbraw/zinc/25/81/09/1082258109.db2.gz DEKUVTIYBDAFSK-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CN(C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001480904486 1082470907 /nfs/dbraw/zinc/47/09/07/1082470907.db2.gz HVURHMSSYDXDAT-KRWDZBQOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CN(C)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001480904486 1082470909 /nfs/dbraw/zinc/47/09/09/1082470909.db2.gz HVURHMSSYDXDAT-KRWDZBQOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001276841764 1083641564 /nfs/dbraw/zinc/64/15/64/1083641564.db2.gz YFTDZVKESXMMRU-BBWFWOEESA-N 1 3 321.509 2.367 20 30 DEEDHO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001276841764 1083641570 /nfs/dbraw/zinc/64/15/70/1083641570.db2.gz YFTDZVKESXMMRU-BBWFWOEESA-N 1 3 321.509 2.367 20 30 DEEDHO C#CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001670924372 1084146893 /nfs/dbraw/zinc/14/68/93/1084146893.db2.gz XELXSEPMTYFYCZ-ZWKOTPCHSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001670924372 1084146898 /nfs/dbraw/zinc/14/68/98/1084146898.db2.gz XELXSEPMTYFYCZ-ZWKOTPCHSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961443854 1085735915 /nfs/dbraw/zinc/73/59/15/1085735915.db2.gz XJYZPVHGZOGKIE-GOSISDBHSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961443854 1085735922 /nfs/dbraw/zinc/73/59/22/1085735922.db2.gz XJYZPVHGZOGKIE-GOSISDBHSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CC[NH+]1CCC2(CCN(C(=O)CN(C)C3CCC3)CC2)CC1 ZINC000957560988 1088411119 /nfs/dbraw/zinc/41/11/19/1088411119.db2.gz CEZRNJOVTVKLPA-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001095903747 1089085462 /nfs/dbraw/zinc/08/54/62/1089085462.db2.gz KGJLUIYWXATARA-BDXSIMOUSA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001095903747 1089085479 /nfs/dbraw/zinc/08/54/79/1089085479.db2.gz KGJLUIYWXATARA-BDXSIMOUSA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001274437195 1091241246 /nfs/dbraw/zinc/24/12/46/1091241246.db2.gz RIUVKULQQVYHDQ-HOTGVXAUSA-N 1 3 309.498 2.365 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001274437195 1091241255 /nfs/dbraw/zinc/24/12/55/1091241255.db2.gz RIUVKULQQVYHDQ-HOTGVXAUSA-N 1 3 309.498 2.365 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC000948775711 1091928613 /nfs/dbraw/zinc/92/86/13/1091928613.db2.gz PCUPNPNQGDTURM-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC000948775711 1091928621 /nfs/dbraw/zinc/92/86/21/1091928621.db2.gz PCUPNPNQGDTURM-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001488996045 1092874576 /nfs/dbraw/zinc/87/45/76/1092874576.db2.gz DHWXTQAHJRHGJI-GDBMZVCRSA-N 1 3 304.438 2.135 20 30 DEEDHO C#CCN(C(=O)CN(C)CCC)C1CC[NH+](CCCC)CC1 ZINC001278194737 1138826901 /nfs/dbraw/zinc/82/69/01/1138826901.db2.gz SRYJLUXRCQAZRV-UHFFFAOYSA-N 1 3 307.482 2.055 20 30 DEEDHO C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001319394157 1140562290 /nfs/dbraw/zinc/56/22/90/1140562290.db2.gz CGKCWWAMYIHVOR-IAGOWNOFSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCN1C(=O)CCC[C@@]12CCCN([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246709184 1141039573 /nfs/dbraw/zinc/03/95/73/1141039573.db2.gz SIQNPVWSSXOJRL-NUJGCVRESA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCCC[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001340882338 1143480568 /nfs/dbraw/zinc/48/05/68/1143480568.db2.gz XTAYWBDDYOJBGR-NJAFHUGGSA-N 1 3 315.461 2.449 20 30 DEEDHO C=CCN(C)CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C(C)C ZINC001278911776 1143830299 /nfs/dbraw/zinc/83/02/99/1143830299.db2.gz DYGPGFRQQOZFJD-IRXDYDNUSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCN(C)CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C(C)C ZINC001278911776 1143830300 /nfs/dbraw/zinc/83/03/00/1143830300.db2.gz DYGPGFRQQOZFJD-IRXDYDNUSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001266041452 1144798911 /nfs/dbraw/zinc/79/89/11/1144798911.db2.gz VRJWKCCBHFBDSN-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO CC#CCN[C@H](C)c1ccc(CNC(=O)CC[N@@H+](C)CC)cc1 ZINC001280355236 1144836492 /nfs/dbraw/zinc/83/64/92/1144836492.db2.gz ZLKUQQQOJFBJGU-MRXNPFEDSA-N 1 3 315.461 2.319 20 30 DEEDHO CC#CCN[C@H](C)c1ccc(CNC(=O)CC[N@H+](C)CC)cc1 ZINC001280355236 1144836493 /nfs/dbraw/zinc/83/64/93/1144836493.db2.gz ZLKUQQQOJFBJGU-MRXNPFEDSA-N 1 3 315.461 2.319 20 30 DEEDHO CC#CCN(C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001491965898 1147023891 /nfs/dbraw/zinc/02/38/91/1147023891.db2.gz VLWWLYBUJUDZPS-GOSISDBHSA-N 1 3 319.493 2.199 20 30 DEEDHO C#CCN1CCC[C@H]([C@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317204303 1147675999 /nfs/dbraw/zinc/67/59/99/1147675999.db2.gz MGFLFQWUKNYBHP-ROUUACIJSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)CN1CC[C@H](C)C1 ZINC001317436460 1147708238 /nfs/dbraw/zinc/70/82/38/1147708238.db2.gz RMJNJFOURLMNKA-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)CN1CC[C@H](C)C1 ZINC001317436460 1147708239 /nfs/dbraw/zinc/70/82/39/1147708239.db2.gz RMJNJFOURLMNKA-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001317509299 1147717661 /nfs/dbraw/zinc/71/76/61/1147717661.db2.gz HTUVVFBDEVIOQJ-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001317509299 1147717662 /nfs/dbraw/zinc/71/76/62/1147717662.db2.gz HTUVVFBDEVIOQJ-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO N#CCCC[C@@H](N)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001326766707 1148237092 /nfs/dbraw/zinc/23/70/92/1148237092.db2.gz JANFYLCDDSUMHI-MRXNPFEDSA-N 1 3 300.406 2.242 20 30 DEEDHO C[C@H](CCC#N)CN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000602451872 360379215 /nfs/dbraw/zinc/37/92/15/360379215.db2.gz BJBTUJWCEMIXDX-KZNAEPCWSA-N 1 3 306.498 2.417 20 30 DEEDHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442781609 238075564 /nfs/dbraw/zinc/07/55/64/238075564.db2.gz JKZXMJQGCAWHIW-SJORKVTESA-N 1 3 301.434 2.451 20 30 DEEDHO COc1ccccc1CNC(=[NH2+])NC[C@H]1CCCN1CC(C)C ZINC000130836557 401840028 /nfs/dbraw/zinc/84/00/28/401840028.db2.gz POIPCKHFUANMMW-MRXNPFEDSA-N 1 3 318.465 2.220 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)c(Cl)c1 ZINC000153393398 402142292 /nfs/dbraw/zinc/14/22/92/402142292.db2.gz GTRIQELOUUHRJN-ZDUSSCGKSA-N 1 3 324.856 2.237 20 30 DEEDHO CN1CCC([NH+]2CCC(NCc3ccc(C#N)s3)CC2)CC1 ZINC000176958991 402354304 /nfs/dbraw/zinc/35/43/04/402354304.db2.gz UYHDHTXFBVBTNE-UHFFFAOYSA-N 1 3 318.490 2.268 20 30 DEEDHO CN1CCC(O)(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000330159176 404568587 /nfs/dbraw/zinc/56/85/87/404568587.db2.gz QSFUTOLPNVWIHB-OAHLLOKOSA-N 1 3 323.481 2.054 20 30 DEEDHO CN1CCC(O)(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000330159176 404568592 /nfs/dbraw/zinc/56/85/92/404568592.db2.gz QSFUTOLPNVWIHB-OAHLLOKOSA-N 1 3 323.481 2.054 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000357751052 404743108 /nfs/dbraw/zinc/74/31/08/404743108.db2.gz SQEFEJPLVIVAER-HNNXBMFYSA-N 1 3 310.486 2.055 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000357751052 404743109 /nfs/dbraw/zinc/74/31/09/404743109.db2.gz SQEFEJPLVIVAER-HNNXBMFYSA-N 1 3 310.486 2.055 20 30 DEEDHO C=CCN1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000357823483 404745501 /nfs/dbraw/zinc/74/55/01/404745501.db2.gz VQRGJMPRZNUYKT-KRWDZBQOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000358797775 404776262 /nfs/dbraw/zinc/77/62/62/404776262.db2.gz XTXQLUZFVYDXRN-CVEARBPZSA-N 1 3 322.497 2.199 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000358797775 404776265 /nfs/dbraw/zinc/77/62/65/404776265.db2.gz XTXQLUZFVYDXRN-CVEARBPZSA-N 1 3 322.497 2.199 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C)C(C)C ZINC000353454966 404835049 /nfs/dbraw/zinc/83/50/49/404835049.db2.gz WXFLYVXKBAOYQG-KSZLIROESA-N 1 3 321.509 2.435 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001328260215 1148756561 /nfs/dbraw/zinc/75/65/61/1148756561.db2.gz RUKIPJARYYJYBU-JKSUJKDBSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001328260215 1148756569 /nfs/dbraw/zinc/75/65/69/1148756569.db2.gz RUKIPJARYYJYBU-JKSUJKDBSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCN(CC)CC1 ZINC000661119987 425328901 /nfs/dbraw/zinc/32/89/01/425328901.db2.gz YMUQGNOJDDQMSJ-DOTOQJQBSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)CN(C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000654986653 425478473 /nfs/dbraw/zinc/47/84/73/425478473.db2.gz ODBZUOHUODDGFW-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO CC[NH+](CC)CCOCCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353678900 279109332 /nfs/dbraw/zinc/10/93/32/279109332.db2.gz PZPGDBJYPUHDSS-SFHVURJKSA-N 1 3 301.434 2.494 20 30 DEEDHO COc1ccccc1CNC(=[NH2+])NCC1(N(C)C)CCCCC1 ZINC000264093186 295362133 /nfs/dbraw/zinc/36/21/33/295362133.db2.gz LHNLPAKWSJGUNA-UHFFFAOYSA-N 1 3 318.465 2.364 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001330210463 1149070362 /nfs/dbraw/zinc/07/03/62/1149070362.db2.gz POPDXHXRNCLUJH-MRXNPFEDSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001330210463 1149070368 /nfs/dbraw/zinc/07/03/68/1149070368.db2.gz POPDXHXRNCLUJH-MRXNPFEDSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001330297934 1149088404 /nfs/dbraw/zinc/08/84/04/1149088404.db2.gz RJZWNHAECIBDCZ-ZJPYXAASSA-N 1 3 319.493 2.119 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001330297934 1149088414 /nfs/dbraw/zinc/08/84/14/1149088414.db2.gz RJZWNHAECIBDCZ-ZJPYXAASSA-N 1 3 319.493 2.119 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001379162042 1152583982 /nfs/dbraw/zinc/58/39/82/1152583982.db2.gz YXPUPMGHYIUVMT-ZIAGYGMSSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001020927284 623191337 /nfs/dbraw/zinc/19/13/37/623191337.db2.gz KWBCOUCJIPSCFL-TUVASFSCSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679937 623948677 /nfs/dbraw/zinc/94/86/77/623948677.db2.gz VCCIGISDDZKSSW-NVXWUHKLSA-N 1 3 316.449 2.231 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679937 623948682 /nfs/dbraw/zinc/94/86/82/623948682.db2.gz VCCIGISDDZKSSW-NVXWUHKLSA-N 1 3 316.449 2.231 20 30 DEEDHO C=CCN(C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000971681705 624503380 /nfs/dbraw/zinc/50/33/80/624503380.db2.gz FSGLSUVSJWPXBM-DLBZAZTESA-N 1 3 305.466 2.112 20 30 DEEDHO C=CCN(C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000971681705 624503383 /nfs/dbraw/zinc/50/33/83/624503383.db2.gz FSGLSUVSJWPXBM-DLBZAZTESA-N 1 3 305.466 2.112 20 30 DEEDHO C#CCC[N@H+]1C[C@H](NC(=O)[C@H](C)N2CCCCCC2)C(C)(C)C1 ZINC000977214369 633880334 /nfs/dbraw/zinc/88/03/34/633880334.db2.gz CPFGLKBJILWCGD-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1C[C@H](NC(=O)[C@H](C)N2CCCCCC2)C(C)(C)C1 ZINC000977214369 633880340 /nfs/dbraw/zinc/88/03/40/633880340.db2.gz CPFGLKBJILWCGD-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000998013178 634111822 /nfs/dbraw/zinc/11/18/22/634111822.db2.gz PTXRAQDSMTYPMH-FGTMMUONSA-N 1 3 319.493 2.053 20 30 DEEDHO CC#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000998013178 634111826 /nfs/dbraw/zinc/11/18/26/634111826.db2.gz PTXRAQDSMTYPMH-FGTMMUONSA-N 1 3 319.493 2.053 20 30 DEEDHO Cc1cc(C#N)cc(C)c1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000922098316 635863176 /nfs/dbraw/zinc/86/31/76/635863176.db2.gz JFCUFYGHNCIMBA-UHFFFAOYSA-N 1 3 314.477 2.291 20 30 DEEDHO C=C(C)CN1CCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028253922 635964485 /nfs/dbraw/zinc/96/44/85/635964485.db2.gz JHVBVGUHAYQAOZ-SFHVURJKSA-N 1 3 319.493 2.265 20 30 DEEDHO C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001004473894 636464079 /nfs/dbraw/zinc/46/40/79/636464079.db2.gz NCYICDKDXFAEIX-MSOLQXFVSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001004473894 636464081 /nfs/dbraw/zinc/46/40/81/636464081.db2.gz NCYICDKDXFAEIX-MSOLQXFVSA-N 1 3 319.493 2.053 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946642925 636517519 /nfs/dbraw/zinc/51/75/19/636517519.db2.gz VXEPOJHVBRBMNM-IXDOHACOSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946642925 636517523 /nfs/dbraw/zinc/51/75/23/636517523.db2.gz VXEPOJHVBRBMNM-IXDOHACOSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(Cl)CN[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H]1C ZINC000986956113 640024420 /nfs/dbraw/zinc/02/44/20/640024420.db2.gz JUEYZZHTDUFHEG-KGLIPLIRSA-N 1 3 313.873 2.050 20 30 DEEDHO C=C(Cl)CN[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@@H]1C ZINC000986956113 640024424 /nfs/dbraw/zinc/02/44/24/640024424.db2.gz JUEYZZHTDUFHEG-KGLIPLIRSA-N 1 3 313.873 2.050 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000900655410 642435249 /nfs/dbraw/zinc/43/52/49/642435249.db2.gz IZNHYXCSXHDDDT-MRXNPFEDSA-N 1 3 303.450 2.131 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000901233438 642601359 /nfs/dbraw/zinc/60/13/59/642601359.db2.gz LYKUPKIBLFSJAT-SJORKVTESA-N 1 3 301.434 2.056 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC000913100097 646268738 /nfs/dbraw/zinc/26/87/38/646268738.db2.gz PMWUPVBDOGKSSI-QAPCUYQASA-N 1 3 315.461 2.131 20 30 DEEDHO C#CCN1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000948372288 649096487 /nfs/dbraw/zinc/09/64/87/649096487.db2.gz BHNIIZPLDFJNEN-QGZVFWFLSA-N 1 3 319.493 2.197 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)c1cccc(C)c1 ZINC000304781494 685261184 /nfs/dbraw/zinc/26/11/84/685261184.db2.gz GITKTWUBPKABPB-DOTOQJQBSA-N 1 3 302.466 2.487 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccccc1C ZINC000304813451 685262256 /nfs/dbraw/zinc/26/22/56/685262256.db2.gz YZGUCZHSEAIORY-CVEARBPZSA-N 1 3 318.465 2.151 20 30 DEEDHO C[C@H](CNC(=[NH2+])NCCc1ccccc1)N1CCC(C)CC1 ZINC000104181347 684059321 /nfs/dbraw/zinc/05/93/21/684059321.db2.gz CXKZOQBJTCCMRZ-MRXNPFEDSA-N 1 3 302.466 2.254 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCC1Cc2ccccc2C1 ZINC000158317711 684297111 /nfs/dbraw/zinc/29/71/11/684297111.db2.gz TTZIPIJUSVJQFE-GOSISDBHSA-N 1 3 314.477 2.180 20 30 DEEDHO C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001016611592 687664601 /nfs/dbraw/zinc/66/46/01/687664601.db2.gz DTLCRPCOSLKMDR-IRXDYDNUSA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001016828195 687711899 /nfs/dbraw/zinc/71/18/99/687711899.db2.gz DLOTVFPLKGBYDT-IRXDYDNUSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCCC[N@H+]1CCCC ZINC000876740344 689923003 /nfs/dbraw/zinc/92/30/03/689923003.db2.gz LTCQWBBZOOHOKU-KBPBESRZSA-N 1 3 301.862 2.227 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC000876740344 689923005 /nfs/dbraw/zinc/92/30/05/689923005.db2.gz LTCQWBBZOOHOKU-KBPBESRZSA-N 1 3 301.862 2.227 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000876916726 689972366 /nfs/dbraw/zinc/97/23/66/689972366.db2.gz ZDDDQGXMISTVLT-JTQLQIEISA-N 1 3 314.842 2.019 20 30 DEEDHO CC(C)[NH+]1CCC(CCNC(=O)[C@H](N)CCCCC#N)CC1 ZINC000877200156 690043847 /nfs/dbraw/zinc/04/38/47/690043847.db2.gz GYKPONPVBUBXQS-MRXNPFEDSA-N 1 3 308.470 2.024 20 30 DEEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035708619 690157253 /nfs/dbraw/zinc/15/72/53/690157253.db2.gz XUWRXPCVPGEPJL-QGZVFWFLSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035708619 690157254 /nfs/dbraw/zinc/15/72/54/690157254.db2.gz XUWRXPCVPGEPJL-QGZVFWFLSA-N 1 3 319.493 2.360 20 30 DEEDHO COCCN(Cc1ccc(C#N)c(F)c1)CC1CC[NH+](C)CC1 ZINC000877663870 690182781 /nfs/dbraw/zinc/18/27/81/690182781.db2.gz CFTMUBIVZKTXFE-UHFFFAOYSA-N 1 3 319.424 2.488 20 30 DEEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1CC ZINC001037925085 690641830 /nfs/dbraw/zinc/64/18/30/690641830.db2.gz JYVGBQLCMHQSCJ-CVEARBPZSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001038905749 690962103 /nfs/dbraw/zinc/96/21/03/690962103.db2.gz QZTQGCZVLOFLEQ-GOSISDBHSA-N 1 3 319.493 2.265 20 30 DEEDHO C=CC[N@H+]1CC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039137109 691030556 /nfs/dbraw/zinc/03/05/56/691030556.db2.gz MKKNHEHGDBNQBO-KRWDZBQOSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039137109 691030559 /nfs/dbraw/zinc/03/05/59/691030559.db2.gz MKKNHEHGDBNQBO-KRWDZBQOSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001039136673 691030986 /nfs/dbraw/zinc/03/09/86/691030986.db2.gz NGYKCYSGTBCILK-QZTJIDSGSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001039136673 691030988 /nfs/dbraw/zinc/03/09/88/691030988.db2.gz NGYKCYSGTBCILK-QZTJIDSGSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCC[C@@H]1C ZINC001039297860 691076849 /nfs/dbraw/zinc/07/68/49/691076849.db2.gz BYIMPZIELXZZOF-XYTVBORESA-N 1 3 305.466 2.158 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241560 691219261 /nfs/dbraw/zinc/21/92/61/691219261.db2.gz PDKHARCWYJAAFW-IBGZPJMESA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241560 691219264 /nfs/dbraw/zinc/21/92/64/691219264.db2.gz PDKHARCWYJAAFW-IBGZPJMESA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041380555 691370126 /nfs/dbraw/zinc/37/01/26/691370126.db2.gz 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C#CCN1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001052859272 693634969 /nfs/dbraw/zinc/63/49/69/693634969.db2.gz KRDAKAYAQCYJAS-ROUUACIJSA-N 1 3 319.493 2.245 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001407688195 1165257064 /nfs/dbraw/zinc/25/70/64/1165257064.db2.gz GQJWTHMWVGNJHA-KKUMJFAQSA-N 1 3 315.889 2.344 20 30 DEEDHO C=CCC[NH+]1CCC(C2(NC(=O)CN(C)C(C)C)CC2)CC1 ZINC001333193341 1150013685 /nfs/dbraw/zinc/01/36/85/1150013685.db2.gz RFOSFKHOHJOBHT-UHFFFAOYSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[NH2+]CC1(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001167240389 776792834 /nfs/dbraw/zinc/79/28/34/776792834.db2.gz KGPSUDSYKQZOSL-UHFFFAOYSA-N 1 3 307.482 2.171 20 30 DEEDHO C=CC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001104682577 778020820 /nfs/dbraw/zinc/02/08/20/778020820.db2.gz WQOQFWUUAHNCPH-HZPDHXFCSA-N 1 3 309.498 2.225 20 30 DEEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1c1ccccc1 ZINC001211713433 778759730 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C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001120448884 795462328 /nfs/dbraw/zinc/46/23/28/795462328.db2.gz HYPPAFYAWXUTCH-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCCC[NH2+]C1CC2(CC(NC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001121238467 795606677 /nfs/dbraw/zinc/60/66/77/795606677.db2.gz PTUTVSMHWJMLAJ-UHFFFAOYSA-N 1 3 319.493 2.454 20 30 DEEDHO C=C(C)CC[NH2+]C1CC2(CC(NC(=O)CN(CC)CC)C2)C1 ZINC001121935107 795707072 /nfs/dbraw/zinc/70/70/72/795707072.db2.gz HIUUZVLPYPSRIJ-UHFFFAOYSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CN(CC)CC)C[C@H]1C ZINC001185348487 796236173 /nfs/dbraw/zinc/23/61/73/796236173.db2.gz QAUBENFMIVLOPF-UKRRQHHQSA-N 1 3 315.889 2.155 20 30 DEEDHO C=CCCC[N@H+]1CCCN(C(=O)C(C)(C)N2CCCC2)CC1 ZINC001196718100 798096060 /nfs/dbraw/zinc/09/60/60/798096060.db2.gz PSBUKTXCDQZXLY-UHFFFAOYSA-N 1 3 307.482 2.361 20 30 DEEDHO C=CCCC[N@@H+]1CCCN(C(=O)C(C)(C)N2CCCC2)CC1 ZINC001196718100 798096064 /nfs/dbraw/zinc/09/60/64/798096064.db2.gz PSBUKTXCDQZXLY-UHFFFAOYSA-N 1 3 307.482 2.361 20 30 DEEDHO C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160360637 798678941 /nfs/dbraw/zinc/67/89/41/798678941.db2.gz TZJYQDSFRKWUJV-SFHVURJKSA-N 1 3 319.493 2.431 20 30 DEEDHO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160360637 798678944 /nfs/dbraw/zinc/67/89/44/798678944.db2.gz TZJYQDSFRKWUJV-SFHVURJKSA-N 1 3 319.493 2.431 20 30 DEEDHO C=C(C)C[N@H+]1CC=C(CCNC(=O)C(C)(C)N(C)CC)CC1 ZINC001160519240 798698909 /nfs/dbraw/zinc/69/89/09/798698909.db2.gz XIPGNJBKWIDDQM-UHFFFAOYSA-N 1 3 307.482 2.431 20 30 DEEDHO C=C(C)C[N@@H+]1CC=C(CCNC(=O)C(C)(C)N(C)CC)CC1 ZINC001160519240 798698911 /nfs/dbraw/zinc/69/89/11/798698911.db2.gz XIPGNJBKWIDDQM-UHFFFAOYSA-N 1 3 307.482 2.431 20 30 DEEDHO C=CCN1CCC[C@H]1CNc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001160951530 798769065 /nfs/dbraw/zinc/76/90/65/798769065.db2.gz FZFUWAKXUZOANS-HNNXBMFYSA-N 1 3 311.433 2.051 20 30 DEEDHO C=CCCC[N@H+]1CC=C(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001161207245 798809174 /nfs/dbraw/zinc/80/91/74/798809174.db2.gz RFUGWFVLZFFFPF-KRWDZBQOSA-N 1 3 319.493 2.433 20 30 DEEDHO C=CCCC[N@@H+]1CC=C(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001161207245 798809177 /nfs/dbraw/zinc/80/91/77/798809177.db2.gz RFUGWFVLZFFFPF-KRWDZBQOSA-N 1 3 319.493 2.433 20 30 DEEDHO C=CC[NH2+]CC1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001206951394 800639621 /nfs/dbraw/zinc/63/96/21/800639621.db2.gz OQDFEMWYCAKYEI-UHFFFAOYSA-N 1 3 315.461 2.376 20 30 DEEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208328338 800955955 /nfs/dbraw/zinc/95/59/55/800955955.db2.gz CQVMMISKIYLYKT-HZPDHXFCSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCC[NH+]1CCC(NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001230334037 801389662 /nfs/dbraw/zinc/38/96/62/801389662.db2.gz DJIWPMGRLCSHDF-HOTGVXAUSA-N 1 3 307.482 2.406 20 30 DEEDHO CC#CCN[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001210585633 801426408 /nfs/dbraw/zinc/42/64/08/801426408.db2.gz RNQUMCYGWSAQAD-QZTJIDSGSA-N 1 3 319.493 2.245 20 30 DEEDHO CC#CCN[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210585633 801426412 /nfs/dbraw/zinc/42/64/12/801426412.db2.gz RNQUMCYGWSAQAD-QZTJIDSGSA-N 1 3 319.493 2.245 20 30 DEEDHO CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCCN2CCCC)C1 ZINC001210585633 801426415 /nfs/dbraw/zinc/42/64/15/801426415.db2.gz RNQUMCYGWSAQAD-QZTJIDSGSA-N 1 3 319.493 2.245 20 30 DEEDHO CCCCCCCCC[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222521339 802700332 /nfs/dbraw/zinc/70/03/32/802700332.db2.gz QTUGZHXFKTXZTG-GOSISDBHSA-N 1 3 307.482 2.149 20 30 DEEDHO CCCCCCCCC[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222521339 802700336 /nfs/dbraw/zinc/70/03/36/802700336.db2.gz QTUGZHXFKTXZTG-GOSISDBHSA-N 1 3 307.482 2.149 20 30 DEEDHO C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001505399696 1060529744 /nfs/dbraw/zinc/52/97/44/1060529744.db2.gz WKRCZZAJOMLOKD-UHFFFAOYSA-N 1 3 318.465 2.479 20 30 DEEDHO C=C(C)CC[N@H+](CC)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001505399696 1060529760 /nfs/dbraw/zinc/52/97/60/1060529760.db2.gz WKRCZZAJOMLOKD-UHFFFAOYSA-N 1 3 318.465 2.479 20 30 DEEDHO C#CC[NH2+]C[C@@H](CCCC)NC(=O)C(C)(C)N1CCCCC1 ZINC001506546869 1062112767 /nfs/dbraw/zinc/11/27/67/1062112767.db2.gz ZOVKCUGXLWBOOJ-MRXNPFEDSA-N 1 3 307.482 2.149 20 30 DEEDHO C=CCN1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001507386512 1063209411 /nfs/dbraw/zinc/20/94/11/1063209411.db2.gz LZSIESDYPVKJER-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001568139421 1064666806 /nfs/dbraw/zinc/66/68/06/1064666806.db2.gz YOZWRBIHXGTUSD-NVXWUHKLSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001495388555 1064874237 /nfs/dbraw/zinc/87/42/37/1064874237.db2.gz RKVKRWPCETWCEE-SJORKVTESA-N 1 3 307.482 2.123 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001568513432 1064925706 /nfs/dbraw/zinc/92/57/06/1064925706.db2.gz LFQDKXKGNAUDQM-WMZOPIPTSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001568513432 1064925717 /nfs/dbraw/zinc/92/57/17/1064925717.db2.gz LFQDKXKGNAUDQM-WMZOPIPTSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]21 ZINC001568514913 1064928367 /nfs/dbraw/zinc/92/83/67/1064928367.db2.gz DNAMSTKLWUAAMU-DLBZAZTESA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]21 ZINC001568514913 1064928379 /nfs/dbraw/zinc/92/83/79/1064928379.db2.gz DNAMSTKLWUAAMU-DLBZAZTESA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[NH2+]CCCN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001569268952 1065404404 /nfs/dbraw/zinc/40/44/04/1065404404.db2.gz NNCCUCNAFGFDNZ-UHFFFAOYSA-N 1 3 303.450 2.376 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)CN(C)C(C)C)CC1 ZINC001569866831 1065777953 /nfs/dbraw/zinc/77/79/53/1065777953.db2.gz HQSJZXMPNIDLTH-QAQDUYKDSA-N 1 3 309.498 2.415 20 30 DEEDHO C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001570005675 1065878141 /nfs/dbraw/zinc/87/81/41/1065878141.db2.gz MJSAIPSICNNBBW-IAGOWNOFSA-N 1 3 307.482 2.123 20 30 DEEDHO C#CCN1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001570179527 1065957055 /nfs/dbraw/zinc/95/70/55/1065957055.db2.gz PXHHQABKQFQPIB-INIZCTEOSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCN1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001570179527 1065957067 /nfs/dbraw/zinc/95/70/67/1065957067.db2.gz PXHHQABKQFQPIB-INIZCTEOSA-N 1 3 319.493 2.243 20 30 DEEDHO C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001571326725 1068222135 /nfs/dbraw/zinc/22/21/35/1068222135.db2.gz ZXVCXMIRTRCSPJ-LSDHHAIUSA-N 1 3 315.889 2.488 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001565873906 1075202222 /nfs/dbraw/zinc/20/22/22/1075202222.db2.gz OAWHDOYSSQUYHG-BRWVUGGUSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001566755975 1075337264 /nfs/dbraw/zinc/33/72/64/1075337264.db2.gz YCZCVGCPZPLSGE-XWTMOSNGSA-N 1 3 319.493 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/nfs/dbraw/zinc/39/65/92/1080396592.db2.gz LUJCRGQOTAASJZ-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001661236040 1080461942 /nfs/dbraw/zinc/46/19/42/1080461942.db2.gz SCLYJKFRMZSWSP-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001661236040 1080461948 /nfs/dbraw/zinc/46/19/48/1080461948.db2.gz SCLYJKFRMZSWSP-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCNC(=O)[C@@H]1CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001272717500 1080497002 /nfs/dbraw/zinc/49/70/02/1080497002.db2.gz VJRPTKCATLAASD-KRWDZBQOSA-N 1 3 319.493 2.267 20 30 DEEDHO C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001664894374 1080978052 /nfs/dbraw/zinc/97/80/52/1080978052.db2.gz UAEJQFNJXNREJT-KRWDZBQOSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCCC[N@H+](C)CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001664894374 1080978057 /nfs/dbraw/zinc/97/80/57/1080978057.db2.gz UAEJQFNJXNREJT-KRWDZBQOSA-N 1 3 309.498 2.463 20 30 DEEDHO CC#CC[N@@H+](CCNC(=O)CN(C)CCC)C1CCCCCC1 ZINC001269615848 1081308153 /nfs/dbraw/zinc/30/81/53/1081308153.db2.gz AEEOQYKYTIAEGZ-UHFFFAOYSA-N 1 3 321.509 2.493 20 30 DEEDHO CC#CC[N@H+](CCNC(=O)CN(C)CCC)C1CCCCCC1 ZINC001269615848 1081308157 /nfs/dbraw/zinc/30/81/57/1081308157.db2.gz AEEOQYKYTIAEGZ-UHFFFAOYSA-N 1 3 321.509 2.493 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001270991913 1081866721 /nfs/dbraw/zinc/86/67/21/1081866721.db2.gz QWOVWKWLSNRIDS-FUHWJXTLSA-N 1 3 307.482 2.123 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001270991913 1081866725 /nfs/dbraw/zinc/86/67/25/1081866725.db2.gz QWOVWKWLSNRIDS-FUHWJXTLSA-N 1 3 307.482 2.123 20 30 DEEDHO C=C(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001674611486 1081894021 /nfs/dbraw/zinc/89/40/21/1081894021.db2.gz HMHWHCMEPPNFGL-JCYILVPMSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)CN(C)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001266275410 1081933204 /nfs/dbraw/zinc/93/32/04/1081933204.db2.gz YDNBTWXQYBUCSK-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CN(C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001266275410 1081933209 /nfs/dbraw/zinc/93/32/09/1081933209.db2.gz YDNBTWXQYBUCSK-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001482507398 1082130631 /nfs/dbraw/zinc/13/06/31/1082130631.db2.gz BSGKGXUTAVVMNO-QGZVFWFLSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCC[N@H+](C)CCC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001482507398 1082130633 /nfs/dbraw/zinc/13/06/33/1082130633.db2.gz BSGKGXUTAVVMNO-QGZVFWFLSA-N 1 3 309.498 2.463 20 30 DEEDHO C#CCN(C(=O)CC[N@@H+](C)CC)C1CCN(CC=C(C)C)CC1 ZINC001671499810 1082160300 /nfs/dbraw/zinc/16/03/00/1082160300.db2.gz JQQORGXVLKFLPX-UHFFFAOYSA-N 1 3 319.493 2.221 20 30 DEEDHO C#CCN(C(=O)CC[N@H+](C)CC)C1CCN(CC=C(C)C)CC1 ZINC001671499810 1082160304 /nfs/dbraw/zinc/16/03/04/1082160304.db2.gz JQQORGXVLKFLPX-UHFFFAOYSA-N 1 3 319.493 2.221 20 30 DEEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001266860110 1082404580 /nfs/dbraw/zinc/40/45/80/1082404580.db2.gz XLCFZNZMRXNQLG-QGZVFWFLSA-N 1 3 307.482 2.409 20 30 DEEDHO CC#CC[NH2+]C1CCC(NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001266914552 1082450840 /nfs/dbraw/zinc/45/08/40/1082450840.db2.gz PQZXSQNBJDOJDT-WWDZGPRUSA-N 1 3 319.493 2.291 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CN(C)CCC)CCC[C@@H]12 ZINC001107614956 1083521872 /nfs/dbraw/zinc/52/18/72/1083521872.db2.gz OQQYHEPMYIDVLK-SJLPKXTDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CN(C)CCC)CCC[C@@H]12 ZINC001107614956 1083521879 /nfs/dbraw/zinc/52/18/79/1083521879.db2.gz OQQYHEPMYIDVLK-SJLPKXTDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001277053539 1083749659 /nfs/dbraw/zinc/74/96/59/1083749659.db2.gz LOTWHWNXNCRQOD-BRWVUGGUSA-N 1 3 307.482 2.310 20 30 DEEDHO C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001277702246 1084102972 /nfs/dbraw/zinc/10/29/72/1084102972.db2.gz JMTQYVPVSIJCAV-ROUUACIJSA-N 1 3 319.493 2.099 20 30 DEEDHO C=CCC[N@H+]1CC=C(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001486521048 1085404698 /nfs/dbraw/zinc/40/46/98/1085404698.db2.gz NIDSLNNUIXLIOZ-IYBDPMFKSA-N 1 3 305.466 2.184 20 30 DEEDHO C=CCC[N@@H+]1CC=C(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001486521048 1085404702 /nfs/dbraw/zinc/40/47/02/1085404702.db2.gz NIDSLNNUIXLIOZ-IYBDPMFKSA-N 1 3 305.466 2.184 20 30 DEEDHO C=C(C)C[NH2+]C1CC2(CC(NC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC000965933263 1085700026 /nfs/dbraw/zinc/70/00/26/1085700026.db2.gz WFPYFGFOXOCYFA-XLWKGDHDSA-N 1 3 319.493 2.452 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963315770 1086405427 /nfs/dbraw/zinc/40/54/27/1086405427.db2.gz YMKRXIRCSFUKBP-IRXDYDNUSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963315770 1086405431 /nfs/dbraw/zinc/40/54/31/1086405431.db2.gz YMKRXIRCSFUKBP-IRXDYDNUSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001080998689 1089272972 /nfs/dbraw/zinc/27/29/72/1089272972.db2.gz JCNCHVSYSRTIGN-CRAIPNDOSA-N 1 3 315.461 2.374 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001080998689 1089272980 /nfs/dbraw/zinc/27/29/80/1089272980.db2.gz JCNCHVSYSRTIGN-CRAIPNDOSA-N 1 3 315.461 2.374 20 30 DEEDHO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049129 1090614186 /nfs/dbraw/zinc/61/41/86/1090614186.db2.gz CXQHOQGVVRKNNQ-KURKYZTESA-N 1 3 319.493 2.358 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049129 1090614193 /nfs/dbraw/zinc/61/41/93/1090614193.db2.gz CXQHOQGVVRKNNQ-KURKYZTESA-N 1 3 319.493 2.358 20 30 DEEDHO CC#CCN1CCC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000948716800 1091898755 /nfs/dbraw/zinc/89/87/55/1091898755.db2.gz FRJGSVNYHUOFGX-BZSNNMDCSA-N 1 3 319.493 2.053 20 30 DEEDHO CC#CCN1CCC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000948716800 1091898765 /nfs/dbraw/zinc/89/87/65/1091898765.db2.gz FRJGSVNYHUOFGX-BZSNNMDCSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[N@H+]1CCC[C@H](N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000948769763 1091925293 /nfs/dbraw/zinc/92/52/93/1091925293.db2.gz DMZWHDCADJQHGJ-KRWDZBQOSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000948769763 1091925299 /nfs/dbraw/zinc/92/52/99/1091925299.db2.gz DMZWHDCADJQHGJ-KRWDZBQOSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CCN(C)CCCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001273591574 1091941264 /nfs/dbraw/zinc/94/12/64/1091941264.db2.gz WSJAQWTVHITIIU-UHFFFAOYSA-N 1 3 307.482 2.056 20 30 DEEDHO C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001488876975 1092819039 /nfs/dbraw/zinc/81/90/39/1092819039.db2.gz ZQDJJDYLDRONDJ-QEJZJMRPSA-N 1 3 304.438 2.100 20 30 DEEDHO CCCCCCC[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001491752208 1140296401 /nfs/dbraw/zinc/29/64/01/1140296401.db2.gz VNWVGBKZNHOBEJ-IRXDYDNUSA-N 1 3 309.498 2.489 20 30 DEEDHO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCCN2CCC)CC1 ZINC001318567477 1140365749 /nfs/dbraw/zinc/36/57/49/1140365749.db2.gz LNLIQPGGWFXLFR-QGZVFWFLSA-N 1 3 307.482 2.408 20 30 DEEDHO C[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CN1 ZINC001246364917 1140888688 /nfs/dbraw/zinc/88/86/88/1140888688.db2.gz XBPTZJMVFZDBNQ-HNAYVOBHSA-N 1 3 312.461 2.253 20 30 DEEDHO C=CCN1C(=O)CCC[C@]12CCCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246708573 1141041250 /nfs/dbraw/zinc/04/12/50/1141041250.db2.gz QETFJXALKFQBKP-SUTQANCOSA-N 1 3 317.477 2.303 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001321990295 1141377899 /nfs/dbraw/zinc/37/78/99/1141377899.db2.gz GKMYCUWHIGJBIV-YOEHRIQHSA-N 1 3 313.461 2.259 20 30 DEEDHO C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001323640247 1141873027 /nfs/dbraw/zinc/87/30/27/1141873027.db2.gz CQITWIQAXYCBBR-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)CC1(C)C ZINC001278639868 1142568015 /nfs/dbraw/zinc/56/80/15/1142568015.db2.gz MYTYNQWBVQXOLB-JKSUJKDBSA-N 1 3 307.482 2.262 20 30 DEEDHO C#C[C@H]1CCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254039443 1143030849 /nfs/dbraw/zinc/03/08/49/1143030849.db2.gz GRDMRFDKRRSMDJ-SFHVURJKSA-N 1 3 312.457 2.359 20 30 DEEDHO C#C[C@H]1CCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254039443 1143030855 /nfs/dbraw/zinc/03/08/55/1143030855.db2.gz GRDMRFDKRRSMDJ-SFHVURJKSA-N 1 3 312.457 2.359 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C)CC[NH+](CC)CC)CC1 ZINC001340666214 1143393877 /nfs/dbraw/zinc/39/38/77/1143393877.db2.gz VZSQIVXFZLTZOB-INIZCTEOSA-N 1 3 324.513 2.447 20 30 DEEDHO C=CCCC[C@@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC001341552949 1143628783 /nfs/dbraw/zinc/62/87/83/1143628783.db2.gz NOVVESMGTCZXGQ-MRXNPFEDSA-N 1 3 305.422 2.249 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001263835140 1144406038 /nfs/dbraw/zinc/40/60/38/1144406038.db2.gz HNRJXIDYMLGOAB-BBWFWOEESA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001265088996 1144640696 /nfs/dbraw/zinc/64/06/96/1144640696.db2.gz IMEBMHPPIIXQDX-GDBMZVCRSA-N 1 3 304.438 2.278 20 30 DEEDHO C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)CN(C)CCC)CC1 ZINC001265333729 1144694792 /nfs/dbraw/zinc/69/47/92/1144694792.db2.gz CIFWVQACFJUGPI-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001266177574 1144811752 /nfs/dbraw/zinc/81/17/52/1144811752.db2.gz HPDXHLPWLINEFJ-WBVHZDCISA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001266177573 1144811771 /nfs/dbraw/zinc/81/17/71/1144811771.db2.gz HPDXHLPWLINEFJ-RDJZCZTQSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001279410521 1144822235 /nfs/dbraw/zinc/82/22/35/1144822235.db2.gz ZIAUOTCASMFMJZ-BDXSIMOUSA-N 1 3 321.509 2.318 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001279410521 1144822237 /nfs/dbraw/zinc/82/22/37/1144822237.db2.gz ZIAUOTCASMFMJZ-BDXSIMOUSA-N 1 3 321.509 2.318 20 30 DEEDHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)[C@H]2C1 ZINC001364634614 1145392239 /nfs/dbraw/zinc/39/22/39/1145392239.db2.gz JCCDTGFICPIGAH-FFZOFVMBSA-N 1 3 324.472 2.457 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001284976995 1146000385 /nfs/dbraw/zinc/00/03/85/1146000385.db2.gz QJMHNHZFWDHZBM-DOTOQJQBSA-N 1 3 307.482 2.430 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001284976995 1146000381 /nfs/dbraw/zinc/00/03/81/1146000381.db2.gz QJMHNHZFWDHZBM-DOTOQJQBSA-N 1 3 307.482 2.430 20 30 DEEDHO C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001316996986 1147646561 /nfs/dbraw/zinc/64/65/61/1147646561.db2.gz BPBGZPFOIZSXAD-CVEARBPZSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001317436461 1147708005 /nfs/dbraw/zinc/70/80/05/1147708005.db2.gz RMJNJFOURLMNKA-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001317436461 1147708007 /nfs/dbraw/zinc/70/80/07/1147708007.db2.gz RMJNJFOURLMNKA-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001324802482 1147846921 /nfs/dbraw/zinc/84/69/21/1147846921.db2.gz FEZCEKMNHDLQHX-GOSISDBHSA-N 1 3 307.482 2.123 20 30 DEEDHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000277046037 213259748 /nfs/dbraw/zinc/25/97/48/213259748.db2.gz CCKCWHFGSVMJCK-QGZVFWFLSA-N 1 3 314.433 2.303 20 30 DEEDHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000277046037 213259750 /nfs/dbraw/zinc/25/97/50/213259750.db2.gz CCKCWHFGSVMJCK-QGZVFWFLSA-N 1 3 314.433 2.303 20 30 DEEDHO CCN1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180060202 199112794 /nfs/dbraw/zinc/11/27/94/199112794.db2.gz ZZLDXSYMOSVZOY-INIZCTEOSA-N 1 3 323.444 2.390 20 30 DEEDHO C[C@H]1CC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CN1 ZINC000600707347 359804008 /nfs/dbraw/zinc/80/40/08/359804008.db2.gz AXOPUIJZTZCYRK-KXBFYZLASA-N 1 3 312.461 2.253 20 30 DEEDHO C[C@H]1CC[C@H](NC2CCN(Cc3ccc(C#N)cc3)CC2)C[NH2+]1 ZINC000600707347 359804011 /nfs/dbraw/zinc/80/40/11/359804011.db2.gz AXOPUIJZTZCYRK-KXBFYZLASA-N 1 3 312.461 2.253 20 30 DEEDHO CN(Cc1ccc(C#N)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626218 133338126 /nfs/dbraw/zinc/33/81/26/133338126.db2.gz MBBYGAALUVBOET-HNNXBMFYSA-N 1 3 318.490 2.220 20 30 DEEDHO C=C(C)CN(CC)C(=O)CN1CCC(CCC[NH+](C)C)CC1 ZINC000123455750 402128635 /nfs/dbraw/zinc/12/86/35/402128635.db2.gz LRRGNJXUGYHWCR-UHFFFAOYSA-N 1 3 309.498 2.465 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176154388 402284369 /nfs/dbraw/zinc/28/43/69/402284369.db2.gz ZMPJOCAMECKZRL-SJORKVTESA-N 1 3 322.497 2.199 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000171734907 402616193 /nfs/dbraw/zinc/61/61/93/402616193.db2.gz XJMMKQGGQZLXSO-KRWDZBQOSA-N 1 3 322.497 2.056 20 30 DEEDHO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000343607982 403659901 /nfs/dbraw/zinc/65/99/01/403659901.db2.gz NHJYQRTYAYFFFA-ROUUACIJSA-N 1 3 324.428 2.231 20 30 DEEDHO CCC[N@H+]1CCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000343607982 403659905 /nfs/dbraw/zinc/65/99/05/403659905.db2.gz NHJYQRTYAYFFFA-ROUUACIJSA-N 1 3 324.428 2.231 20 30 DEEDHO C#CCN(C)CCC[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000295070478 403750615 /nfs/dbraw/zinc/75/06/15/403750615.db2.gz RZVPJWRHBHYGKJ-AZUAARDMSA-N 1 3 313.489 2.442 20 30 DEEDHO C=C(C)CCNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000459003092 405687815 /nfs/dbraw/zinc/68/78/15/405687815.db2.gz OJEZJTJBXSTRIW-INIZCTEOSA-N 1 3 310.486 2.010 20 30 DEEDHO C=C(C)CCNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000459003092 405687821 /nfs/dbraw/zinc/68/78/21/405687821.db2.gz OJEZJTJBXSTRIW-INIZCTEOSA-N 1 3 310.486 2.010 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1)C(C)C ZINC000423330757 405764126 /nfs/dbraw/zinc/76/41/26/405764126.db2.gz GEWQWUKYSQYXRZ-GVDBMIGSSA-N 1 3 307.482 2.189 20 30 DEEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCN(CC)CC1 ZINC000661119989 425328980 /nfs/dbraw/zinc/32/89/80/425328980.db2.gz YMUQGNOJDDQMSJ-NVXWUHKLSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]1C[NH2+]C)C(C)C ZINC000417063857 277850509 /nfs/dbraw/zinc/85/05/09/277850509.db2.gz NWVGEJGFBZDHQV-IAGOWNOFSA-N 1 3 322.497 2.078 20 30 DEEDHO N#C[C@@H]1CCC[C@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000248869441 341389040 /nfs/dbraw/zinc/38/90/40/341389040.db2.gz QKGUZYBZWMIHPB-BZZMCLGOSA-N 1 3 305.466 2.426 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCC[C@H]1C[NH3+])C(C)C ZINC000340123913 527650056 /nfs/dbraw/zinc/65/00/56/527650056.db2.gz ZNNACLBCAJSSDM-GVDBMIGSSA-N 1 3 307.482 2.176 20 30 DEEDHO CCCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000262680333 528232252 /nfs/dbraw/zinc/23/22/52/528232252.db2.gz VTMFNRZEKPONPW-GOEBONIOSA-N 1 3 316.449 2.289 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCCc1nc(C)cs1 ZINC000264248217 529070470 /nfs/dbraw/zinc/07/04/70/529070470.db2.gz GNOKRFGDMSSFPC-CQSZACIVSA-N 1 3 323.510 2.163 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCc1cccc(OC)c1 ZINC000264255650 529070674 /nfs/dbraw/zinc/07/06/74/529070674.db2.gz IDKGTNMUHKATBF-MRXNPFEDSA-N 1 3 318.465 2.016 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Cc1cccs1 ZINC000267436124 529100665 /nfs/dbraw/zinc/10/06/65/529100665.db2.gz NUWWQIIYHHYSKD-KGLIPLIRSA-N 1 3 308.495 2.315 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]12 ZINC001026359918 625352124 /nfs/dbraw/zinc/35/21/24/625352124.db2.gz HCPPSCRZXQHEIA-IXDOHACOSA-N 1 3 319.493 2.121 20 30 DEEDHO CC#CCN1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632384 625364870 /nfs/dbraw/zinc/36/48/70/625364870.db2.gz LLHQVZZMZGLQQX-ZWKOTPCHSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023632384 625364874 /nfs/dbraw/zinc/36/48/74/625364874.db2.gz LLHQVZZMZGLQQX-ZWKOTPCHSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001023632384 625364877 /nfs/dbraw/zinc/36/48/77/625364877.db2.gz LLHQVZZMZGLQQX-ZWKOTPCHSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001023632384 625364879 /nfs/dbraw/zinc/36/48/79/625364879.db2.gz LLHQVZZMZGLQQX-ZWKOTPCHSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)C[NH2+]C1CCC(NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001026540418 625508748 /nfs/dbraw/zinc/50/87/48/625508748.db2.gz LNGBYLPPUBNATK-UHFFFAOYSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CC[NH2+]C1CCC(NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001026571596 625531160 /nfs/dbraw/zinc/53/11/60/625531160.db2.gz CPUZJUNYDDWYMY-GTPINHCMSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CC[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC1(C)C ZINC000995820688 633127811 /nfs/dbraw/zinc/12/78/11/633127811.db2.gz HHCHPNNNUWXYAR-HNNXBMFYSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974864840 633339911 /nfs/dbraw/zinc/33/99/11/633339911.db2.gz RNOHFDJSABAUIJ-SJORKVTESA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974864840 633339915 /nfs/dbraw/zinc/33/99/15/633339915.db2.gz RNOHFDJSABAUIJ-SJORKVTESA-N 1 3 319.493 2.264 20 30 DEEDHO C#CCC[N@H+]1C[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C(C)(C)C1 ZINC000977214371 633880481 /nfs/dbraw/zinc/88/04/81/633880481.db2.gz CPFGLKBJILWCGD-SJORKVTESA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C(C)(C)C1 ZINC000977214371 633880483 /nfs/dbraw/zinc/88/04/83/633880483.db2.gz CPFGLKBJILWCGD-SJORKVTESA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCC[N@H+]1CCCN(C(=O)C(C)(C)N2CCCCC2)CC1 ZINC000981165084 635344430 /nfs/dbraw/zinc/34/44/30/635344430.db2.gz PXPFNWXGVCPHKY-UHFFFAOYSA-N 1 3 307.482 2.361 20 30 DEEDHO C=CCC[N@@H+]1CCCN(C(=O)C(C)(C)N2CCCCC2)CC1 ZINC000981165084 635344441 /nfs/dbraw/zinc/34/44/41/635344441.db2.gz PXPFNWXGVCPHKY-UHFFFAOYSA-N 1 3 307.482 2.361 20 30 DEEDHO C=CCCN1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000981165084 635344445 /nfs/dbraw/zinc/34/44/45/635344445.db2.gz PXPFNWXGVCPHKY-UHFFFAOYSA-N 1 3 307.482 2.361 20 30 DEEDHO C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001001472656 635504075 /nfs/dbraw/zinc/50/40/75/635504075.db2.gz UDUGUBRFTIFBGD-QGZVFWFLSA-N 1 3 305.466 2.185 20 30 DEEDHO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001001472656 635504079 /nfs/dbraw/zinc/50/40/79/635504079.db2.gz UDUGUBRFTIFBGD-QGZVFWFLSA-N 1 3 305.466 2.185 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC000982052482 635845728 /nfs/dbraw/zinc/84/57/28/635845728.db2.gz MDJOHDWGJJSMFT-KRWDZBQOSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC000982052482 635845735 /nfs/dbraw/zinc/84/57/35/635845735.db2.gz MDJOHDWGJJSMFT-KRWDZBQOSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982275928 635935511 /nfs/dbraw/zinc/93/55/11/635935511.db2.gz MWGAOLZZAWEUHM-QRQLOZEOSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982275928 635935512 /nfs/dbraw/zinc/93/55/12/635935512.db2.gz MWGAOLZZAWEUHM-QRQLOZEOSA-N 1 3 319.493 2.216 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)N(C)C)C[C@@]2(C)C1 ZINC000982306757 635960483 /nfs/dbraw/zinc/96/04/83/635960483.db2.gz XOHLZTYGPATMSC-QRQLOZEOSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)N(C)C)C[C@@]2(C)C1 ZINC000982306757 635960486 /nfs/dbraw/zinc/96/04/86/635960486.db2.gz XOHLZTYGPATMSC-QRQLOZEOSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004367423 636394657 /nfs/dbraw/zinc/39/46/57/636394657.db2.gz CMXOMSHXNSJOET-ROUUACIJSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004367423 636394659 /nfs/dbraw/zinc/39/46/59/636394659.db2.gz CMXOMSHXNSJOET-ROUUACIJSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CC[NH+]1CCC(N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC001005991548 637046020 /nfs/dbraw/zinc/04/60/20/637046020.db2.gz OUNDJLZZPGTLRM-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCN(CC=C)C(=O)CN1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923503941 637219116 /nfs/dbraw/zinc/21/91/16/637219116.db2.gz RDKNORIQCRJOHD-KRWDZBQOSA-N 1 3 319.493 2.289 20 30 DEEDHO C=CCC[NH+]1CCC(N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC001006183349 637269443 /nfs/dbraw/zinc/26/94/43/637269443.db2.gz MDPHWJSBYQQCTR-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO C[C@@H](CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)N(C)C ZINC000895297479 637901695 /nfs/dbraw/zinc/90/16/95/637901695.db2.gz WXZZJHHKTORQHG-INIZCTEOSA-N 1 3 314.477 2.452 20 30 DEEDHO C=C1CCC(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000896004920 638304774 /nfs/dbraw/zinc/30/47/74/638304774.db2.gz SZVQXSPVKDNIQJ-UHFFFAOYSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)C[N@@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000985713379 639596210 /nfs/dbraw/zinc/59/62/10/639596210.db2.gz VJTZCJLAUHPKMK-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000985713379 639596212 /nfs/dbraw/zinc/59/62/12/639596212.db2.gz VJTZCJLAUHPKMK-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO C#CCCCCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000780446624 642626787 /nfs/dbraw/zinc/62/67/87/642626787.db2.gz MZZMTSIWELRXFG-UHFFFAOYSA-N 1 3 319.493 2.245 20 30 DEEDHO CC1(C)C[NH2+]C[C@@H]1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000902448721 643044912 /nfs/dbraw/zinc/04/49/12/643044912.db2.gz HMYWPEDYNKBZEN-SFHVURJKSA-N 1 3 312.461 2.110 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(Cc2ccccc2)CC1 ZINC000151416348 646376151 /nfs/dbraw/zinc/37/61/51/646376151.db2.gz GXOLQAINDSYBNJ-KRWDZBQOSA-N 1 3 314.477 2.398 20 30 DEEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2CCC)C(C)(C)C1 ZINC000940785075 648941451 /nfs/dbraw/zinc/94/14/51/648941451.db2.gz HBFGFMLNZGVSJO-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2CCC)C(C)(C)C1 ZINC000940785075 648941454 /nfs/dbraw/zinc/94/14/54/648941454.db2.gz HBFGFMLNZGVSJO-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](C)C1 ZINC000942558224 649244291 /nfs/dbraw/zinc/24/42/91/649244291.db2.gz TZXUZRRAMKOIJJ-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](C)C1 ZINC000942558224 649244294 /nfs/dbraw/zinc/24/42/94/649244294.db2.gz TZXUZRRAMKOIJJ-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)[C@@H](C)C1 ZINC000944446752 649527492 /nfs/dbraw/zinc/52/74/92/649527492.db2.gz VBYIUVUHWOARID-DZGCQCFKSA-N 1 3 304.438 2.053 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)[C@@H](C)C1 ZINC000944446752 649527493 /nfs/dbraw/zinc/52/74/93/649527493.db2.gz VBYIUVUHWOARID-DZGCQCFKSA-N 1 3 304.438 2.053 20 30 DEEDHO C=C(Cl)CN[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001393747906 1157947086 /nfs/dbraw/zinc/94/70/86/1157947086.db2.gz KGKBJAFSEVTULN-JSGCOSHPSA-N 1 3 315.889 2.153 20 30 DEEDHO C=C(Cl)CN[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001393747906 1157947098 /nfs/dbraw/zinc/94/70/98/1157947098.db2.gz KGKBJAFSEVTULN-JSGCOSHPSA-N 1 3 315.889 2.153 20 30 DEEDHO CCO[C@@H]1C[C@@H](NC(=[NH2+])NC[C@H]2CCCN2CC)C12CCCC2 ZINC000304757956 685259796 /nfs/dbraw/zinc/25/97/96/685259796.db2.gz PLBDICHZYHPQOR-BZUAXINKSA-N 1 3 322.497 2.113 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1cc2ccccc2[nH]1 ZINC000305193764 685282783 /nfs/dbraw/zinc/28/27/83/685282783.db2.gz VRIWOOCVZRRIAP-INIZCTEOSA-N 1 3 313.449 2.099 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054198531 693879686 /nfs/dbraw/zinc/87/96/86/693879686.db2.gz ZEDIIAHDFVRSTN-PKOBYXMFSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054198531 693879691 /nfs/dbraw/zinc/87/96/91/693879691.db2.gz ZEDIIAHDFVRSTN-PKOBYXMFSA-N 1 3 319.493 2.219 20 30 DEEDHO C[C@@H](CNC(=[NH2+])NCCc1ccccc1)N1CCCC[C@H]1C ZINC000303877668 685236667 /nfs/dbraw/zinc/23/66/67/685236667.db2.gz FMYSXLPBUNEIHA-CVEARBPZSA-N 1 3 302.466 2.396 20 30 DEEDHO C=CCN1CCC(NC(=O)NC2CCC(C)([NH+](C)C)CC2)CC1 ZINC000868284102 687968609 /nfs/dbraw/zinc/96/86/09/687968609.db2.gz PFSYQXUYNTUHDH-UHFFFAOYSA-N 1 3 322.497 2.199 20 30 DEEDHO C=CC[NH2+]C1CCC(NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001026493935 688528568 /nfs/dbraw/zinc/52/85/68/688528568.db2.gz SNIWOWOBZIEOPW-UHFFFAOYSA-N 1 3 307.482 2.454 20 30 DEEDHO C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033504133 689523863 /nfs/dbraw/zinc/52/38/63/689523863.db2.gz DGVSKOPMSHFRIV-SFHVURJKSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CCC[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001034339437 689814721 /nfs/dbraw/zinc/81/47/21/689814721.db2.gz FRSJCFBFJGNWPW-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001034339437 689814723 /nfs/dbraw/zinc/81/47/23/689814723.db2.gz FRSJCFBFJGNWPW-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000876718177 689913885 /nfs/dbraw/zinc/91/38/85/689913885.db2.gz MSNCKQDNQBYTCA-AWEZNQCLSA-N 1 3 311.813 2.035 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000876765019 689930140 /nfs/dbraw/zinc/93/01/40/689930140.db2.gz YHVAAXMSWMOHTR-ZIAGYGMSSA-N 1 3 315.889 2.473 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000876765019 689930145 /nfs/dbraw/zinc/93/01/45/689930145.db2.gz YHVAAXMSWMOHTR-ZIAGYGMSSA-N 1 3 315.889 2.473 20 30 DEEDHO C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035194239 690056740 /nfs/dbraw/zinc/05/67/40/690056740.db2.gz XAOSQTUJPSSCTA-QGZVFWFLSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035194239 690056745 /nfs/dbraw/zinc/05/67/45/690056745.db2.gz XAOSQTUJPSSCTA-QGZVFWFLSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)N(CC(C)C)CC1CC[NH+](C)CC1 ZINC000877267605 690060917 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C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039238997 691064604 /nfs/dbraw/zinc/06/46/04/691064604.db2.gz PXOQPKQYGPHWAN-DOTOQJQBSA-N 1 3 316.449 2.231 20 30 DEEDHO C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCN1C ZINC001039269624 691072813 /nfs/dbraw/zinc/07/28/13/691072813.db2.gz TVLWSORIWKKZIB-NPYXIHBLSA-N 1 3 305.466 2.158 20 30 DEEDHO C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040241713 691219427 /nfs/dbraw/zinc/21/94/27/691219427.db2.gz RPLFHQKQFFKDFN-HKUYNNGSSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040241713 691219430 /nfs/dbraw/zinc/21/94/30/691219430.db2.gz RPLFHQKQFFKDFN-HKUYNNGSSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040394154 691241403 /nfs/dbraw/zinc/24/14/03/691241403.db2.gz IQYBGZBJDPZCER-MJGOQNOKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040394154 691241406 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C=CCC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@H]1CCCO1 ZINC000883220958 691459359 /nfs/dbraw/zinc/45/93/59/691459359.db2.gz RSAVYCIMIVXXSH-DLBZAZTESA-N 1 3 309.498 2.116 20 30 DEEDHO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001045966270 692064491 /nfs/dbraw/zinc/06/44/91/692064491.db2.gz SMKHZXBJXOTLKB-MJGOQNOKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001045966270 692064492 /nfs/dbraw/zinc/06/44/92/692064492.db2.gz SMKHZXBJXOTLKB-MJGOQNOKSA-N 1 3 319.493 2.361 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001052764684 693614994 /nfs/dbraw/zinc/61/49/94/693614994.db2.gz QRUYOFNGLMNEJV-MSOLQXFVSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001052764684 693614995 /nfs/dbraw/zinc/61/49/95/693614995.db2.gz QRUYOFNGLMNEJV-MSOLQXFVSA-N 1 3 319.493 2.243 20 30 DEEDHO C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001402286670 1162315135 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C=C(Cl)CNCC1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001424724486 1173888390 /nfs/dbraw/zinc/88/83/90/1173888390.db2.gz HNBLIOSEFHJZBE-NRXISQOPSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001437836866 1180023188 /nfs/dbraw/zinc/02/31/88/1180023188.db2.gz AUWCWYJSOYZLBS-HIFRSBDPSA-N 1 3 313.873 2.050 20 30 DEEDHO C=CCCC[N@H+]1CC=C(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001333354213 1150038481 /nfs/dbraw/zinc/03/84/81/1150038481.db2.gz FZIBOZADYKVGCH-UHFFFAOYSA-N 1 3 305.466 2.185 20 30 DEEDHO C=CCCC[N@@H+]1CC=C(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001333354213 1150038483 /nfs/dbraw/zinc/03/84/83/1150038483.db2.gz FZIBOZADYKVGCH-UHFFFAOYSA-N 1 3 305.466 2.185 20 30 DEEDHO C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CN(CC)CC)CCC1 ZINC001105568434 780767352 /nfs/dbraw/zinc/76/73/52/780767352.db2.gz PBUWCNRGIADENO-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001089690052 783355087 /nfs/dbraw/zinc/35/50/87/783355087.db2.gz KOAMPAHOKBQOFX-INIZCTEOSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001086278918 784538979 /nfs/dbraw/zinc/53/89/79/784538979.db2.gz VZCXLPSWTKDAAF-FZNQNYSPSA-N 1 3 301.434 2.032 20 30 DEEDHO C=CCO[C@@H]1CO[C@]2(C1)CCCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169142093 785061320 /nfs/dbraw/zinc/06/13/20/785061320.db2.gz ZSGYRZKXJBLRGB-PJVZLEMVSA-N 1 3 320.477 2.438 20 30 DEEDHO C=CCO[C@@H]1CO[C@]2(C1)CCCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169142093 785061326 /nfs/dbraw/zinc/06/13/26/785061326.db2.gz ZSGYRZKXJBLRGB-PJVZLEMVSA-N 1 3 320.477 2.438 20 30 DEEDHO C=C(C)CN1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015713273 787196413 /nfs/dbraw/zinc/19/64/13/787196413.db2.gz LVRHDSBSYMJGBQ-SFHVURJKSA-N 1 3 315.461 2.171 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCC)CC1 ZINC001146614613 791324048 /nfs/dbraw/zinc/32/40/48/791324048.db2.gz ZATWKJJADDXXMT-SJORKVTESA-N 1 3 321.509 2.395 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3CCC)C[C@]2(C)C1 ZINC001091716559 791741959 /nfs/dbraw/zinc/74/19/59/791741959.db2.gz SGAYOQMCRGDVMO-LMMKCTJWSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3CCC)C[C@]2(C)C1 ZINC001091716559 791741961 /nfs/dbraw/zinc/74/19/61/791741961.db2.gz SGAYOQMCRGDVMO-LMMKCTJWSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001099310550 792167343 /nfs/dbraw/zinc/16/73/43/792167343.db2.gz PHHSYYMUYFACPU-CVEARBPZSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001099310550 792167346 /nfs/dbraw/zinc/16/73/46/792167346.db2.gz PHHSYYMUYFACPU-CVEARBPZSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001100319487 792589871 /nfs/dbraw/zinc/58/98/71/792589871.db2.gz OGGSMCQLEWDPEX-JCYILVPMSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101443724 793164543 /nfs/dbraw/zinc/16/45/43/793164543.db2.gz PTBGFLXODJUQLR-LMMKCTJWSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101443724 793164547 /nfs/dbraw/zinc/16/45/47/793164547.db2.gz PTBGFLXODJUQLR-LMMKCTJWSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC001102213526 793531834 /nfs/dbraw/zinc/53/18/34/793531834.db2.gz JTNMFZOYZSHWRG-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC001102213526 793531838 /nfs/dbraw/zinc/53/18/38/793531838.db2.gz JTNMFZOYZSHWRG-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001175573946 794245526 /nfs/dbraw/zinc/24/55/26/794245526.db2.gz RPSUSQCUGYEMLS-SJORKVTESA-N 1 3 307.482 2.147 20 30 DEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CCCC2CCC2)CC1 ZINC001176926794 794529377 /nfs/dbraw/zinc/52/93/77/794529377.db2.gz VIPPAYJALCRCTJ-UHFFFAOYSA-N 1 3 319.493 2.008 20 30 DEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CCCCCC=C)CC1 ZINC001176926465 794529677 /nfs/dbraw/zinc/52/96/77/794529677.db2.gz NKQFWFJPVPHJHT-UHFFFAOYSA-N 1 3 319.493 2.174 20 30 DEEDHO C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001121245540 795606775 /nfs/dbraw/zinc/60/67/75/795606775.db2.gz HEWLOUOQNANOPC-APUKJBRXSA-N 1 3 319.493 2.310 20 30 DEEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001186082723 796357038 /nfs/dbraw/zinc/35/70/38/796357038.db2.gz NVOWFTAQPSOXJB-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001155883943 797873467 /nfs/dbraw/zinc/87/34/67/797873467.db2.gz RSXIRTSFFYQKPW-IAGOWNOFSA-N 1 3 309.498 2.203 20 30 DEEDHO C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001203901979 798318447 /nfs/dbraw/zinc/31/84/47/798318447.db2.gz ATBJOCWJWIITTB-KRWDZBQOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160353546 798679265 /nfs/dbraw/zinc/67/92/65/798679265.db2.gz XFIRFBCHOLKHEJ-QGZVFWFLSA-N 1 3 305.466 2.041 20 30 DEEDHO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160353546 798679269 /nfs/dbraw/zinc/67/92/69/798679269.db2.gz XFIRFBCHOLKHEJ-QGZVFWFLSA-N 1 3 305.466 2.041 20 30 DEEDHO C=CC[NH2+]CC1(CCNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001164536901 799619413 /nfs/dbraw/zinc/61/94/13/799619413.db2.gz UUBWEXNILWHHMM-UHFFFAOYSA-N 1 3 307.482 2.313 20 30 DEEDHO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203659847 800102338 /nfs/dbraw/zinc/10/23/38/800102338.db2.gz MKXNQYRWXHDQJH-JKSUJKDBSA-N 1 3 316.449 2.244 20 30 DEEDHO C=CCN(CC[NH+]1CCC2(CN(C)C2)CC1)C(=O)OC(C)(C)C ZINC001207203994 800708567 /nfs/dbraw/zinc/70/85/67/800708567.db2.gz YBGVUOFTAGQARI-UHFFFAOYSA-N 1 3 323.481 2.437 20 30 DEEDHO C=CCN(CCN1CCC2(C[NH+](C)C2)CC1)C(=O)OC(C)(C)C ZINC001207203994 800708572 /nfs/dbraw/zinc/70/85/72/800708572.db2.gz YBGVUOFTAGQARI-UHFFFAOYSA-N 1 3 323.481 2.437 20 30 DEEDHO C=CCCCCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209836437 801293433 /nfs/dbraw/zinc/29/34/33/801293433.db2.gz KNJYPILDAAIIEX-HNNXBMFYSA-N 1 3 304.438 2.279 20 30 DEEDHO C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230628932 801442058 /nfs/dbraw/zinc/44/20/58/801442058.db2.gz LHLVPUTUNLVEKN-SFHVURJKSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230628932 801442060 /nfs/dbraw/zinc/44/20/60/801442060.db2.gz LHLVPUTUNLVEKN-SFHVURJKSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CCCCCC[C@H](N)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220799802 802499050 /nfs/dbraw/zinc/49/90/50/802499050.db2.gz HHQMWAWQQFZRFP-AVGNSLFASA-N 1 3 321.387 2.107 20 30 DEEDHO C=CCCN1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877920 802623084 /nfs/dbraw/zinc/62/30/84/802623084.db2.gz QXOABPCXMGNHQO-KURKYZTESA-N 1 3 321.509 2.462 20 30 DEEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@@H]21 ZINC001223697746 802810096 /nfs/dbraw/zinc/81/00/96/802810096.db2.gz JUAGKJOXFRGLOE-FGTMMUONSA-N 1 3 321.509 2.462 20 30 DEEDHO C=C(C)CC[NH+]1CCC(CNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001224535192 802879748 /nfs/dbraw/zinc/87/97/48/802879748.db2.gz DQYNOFZJUVDBKQ-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001228646545 803386203 /nfs/dbraw/zinc/38/62/03/803386203.db2.gz HMQKSJUSYIDRMA-HZPDHXFCSA-N 1 3 307.482 2.005 20 30 DEEDHO CC(C)[N@@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001335395202 1150405408 /nfs/dbraw/zinc/40/54/08/1150405408.db2.gz RMMOSBYPHHANPZ-INIZCTEOSA-N 1 3 314.433 2.207 20 30 DEEDHO CC(C)[N@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001335395202 1150405413 /nfs/dbraw/zinc/40/54/13/1150405413.db2.gz RMMOSBYPHHANPZ-INIZCTEOSA-N 1 3 314.433 2.207 20 30 DEEDHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](CC2CCC2)CC1 ZINC001500041822 1058448115 /nfs/dbraw/zinc/44/81/15/1058448115.db2.gz DZASSNLGZCFLLL-GOSISDBHSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)N(CC)CC ZINC001501399191 1059489619 /nfs/dbraw/zinc/48/96/19/1059489619.db2.gz CMWUYMISPXBJMP-KZNAEPCWSA-N 1 3 319.493 2.195 20 30 DEEDHO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)N(CC)CC ZINC001501399191 1059489632 /nfs/dbraw/zinc/48/96/32/1059489632.db2.gz CMWUYMISPXBJMP-KZNAEPCWSA-N 1 3 319.493 2.195 20 30 DEEDHO C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCCCN2C(C)C)CCC1 ZINC001502004625 1059859052 /nfs/dbraw/zinc/85/90/52/1059859052.db2.gz AFAUZZZDRWGQCK-INIZCTEOSA-N 1 3 307.482 2.454 20 30 DEEDHO C=C(C)[C@@H](CO)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001473807160 1060730280 /nfs/dbraw/zinc/73/02/80/1060730280.db2.gz KETRZTZKZSBPRI-CEXWTWQISA-N 1 3 300.446 2.377 20 30 DEEDHO C=C(C)[C@@H](CO)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001473807160 1060730288 /nfs/dbraw/zinc/73/02/88/1060730288.db2.gz KETRZTZKZSBPRI-CEXWTWQISA-N 1 3 300.446 2.377 20 30 DEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001506677788 1062271777 /nfs/dbraw/zinc/27/17/77/1062271777.db2.gz GZBHSQYFRIYVCS-WBVHZDCISA-N 1 3 307.482 2.119 20 30 DEEDHO CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001480190348 1062442855 /nfs/dbraw/zinc/44/28/55/1062442855.db2.gz ZVJBHTKUQNHSTF-ZWKOTPCHSA-N 1 3 319.493 2.055 20 30 DEEDHO C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001480833876 1063426142 /nfs/dbraw/zinc/42/61/42/1063426142.db2.gz ZFXLMIHFLWAQFS-HUUCEWRRSA-N 1 3 313.873 2.051 20 30 DEEDHO C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480833876 1063426154 /nfs/dbraw/zinc/42/61/54/1063426154.db2.gz ZFXLMIHFLWAQFS-HUUCEWRRSA-N 1 3 313.873 2.051 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001494054938 1064106171 /nfs/dbraw/zinc/10/61/71/1064106171.db2.gz LRFMSJCJNWFVSE-SJORKVTESA-N 1 3 307.482 2.123 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001494054938 1064106174 /nfs/dbraw/zinc/10/61/74/1064106174.db2.gz LRFMSJCJNWFVSE-SJORKVTESA-N 1 3 307.482 2.123 20 30 DEEDHO C#CCN1CCC(C(=O)NCC[N@@H+](CC)CCC(C)(C)C)CC1 ZINC001567354245 1064154661 /nfs/dbraw/zinc/15/46/61/1064154661.db2.gz VXXYIUZSTJLHKK-UHFFFAOYSA-N 1 3 321.509 2.206 20 30 DEEDHO C#CCN1CCC(C(=O)NCC[N@H+](CC)CCC(C)(C)C)CC1 ZINC001567354245 1064154666 /nfs/dbraw/zinc/15/46/66/1064154666.db2.gz VXXYIUZSTJLHKK-UHFFFAOYSA-N 1 3 321.509 2.206 20 30 DEEDHO C=CCN[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccccc1 ZINC001567660101 1064324214 /nfs/dbraw/zinc/32/42/14/1064324214.db2.gz SWLXPWVGIDRCED-RCCFBDPRSA-N 1 3 315.461 2.350 20 30 DEEDHO C=CCN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1 ZINC001567660101 1064324238 /nfs/dbraw/zinc/32/42/38/1064324238.db2.gz SWLXPWVGIDRCED-RCCFBDPRSA-N 1 3 315.461 2.350 20 30 DEEDHO C#CCC[N@H+]1CC[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001567699478 1064355608 /nfs/dbraw/zinc/35/56/08/1064355608.db2.gz LXSBOLCDABOJGI-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001567699478 1064355615 /nfs/dbraw/zinc/35/56/15/1064355615.db2.gz LXSBOLCDABOJGI-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCC[NH+]1CCC(C)(CNC(=O)C(C)(C)N2CCCC2)CC1 ZINC001569703293 1065679562 /nfs/dbraw/zinc/67/95/62/1065679562.db2.gz POFXHZLFZOTZQQ-UHFFFAOYSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCN(C)CCN(CC)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001626751062 1078261509 /nfs/dbraw/zinc/26/15/09/1078261509.db2.gz RBICWBRSDXSORN-UHFFFAOYSA-N 1 3 303.450 2.328 20 30 DEEDHO C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H](CC)N(C)C)cc1 ZINC001570031330 1065894222 /nfs/dbraw/zinc/89/42/22/1065894222.db2.gz MDSLEMKCQFNQNN-WMLDXEAASA-N 1 3 303.450 2.480 20 30 DEEDHO C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001570039178 1065898773 /nfs/dbraw/zinc/89/87/73/1065898773.db2.gz HPWGQSMPFTUUPK-KZNAEPCWSA-N 1 3 319.493 2.147 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001570510502 1066101057 /nfs/dbraw/zinc/10/10/57/1066101057.db2.gz DCHJIEQBXHSCHL-KRWDZBQOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN(C)CCN(CC)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001634640331 1078434369 /nfs/dbraw/zinc/43/43/69/1078434369.db2.gz BJFFGRWKZKYJMT-QGZVFWFLSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCC[NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001499461755 1067228965 /nfs/dbraw/zinc/22/89/65/1067228965.db2.gz PBOVBKXLPMJFFA-UHFFFAOYSA-N 1 3 301.434 2.176 20 30 DEEDHO C#CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001499530212 1067248540 /nfs/dbraw/zinc/24/85/40/1067248540.db2.gz FWMYQNXTLTVMKW-GOSISDBHSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001499530212 1067248545 /nfs/dbraw/zinc/24/85/45/1067248545.db2.gz FWMYQNXTLTVMKW-GOSISDBHSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCCN1CC ZINC001267181745 1078646149 /nfs/dbraw/zinc/64/61/49/1078646149.db2.gz NBHXLRBAWRGYAT-ZWKOTPCHSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCCN1CC ZINC001267181745 1078646155 /nfs/dbraw/zinc/64/61/55/1078646155.db2.gz NBHXLRBAWRGYAT-ZWKOTPCHSA-N 1 3 319.493 2.245 20 30 DEEDHO C=C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccccc1 ZINC001520328772 1069120440 /nfs/dbraw/zinc/12/04/40/1069120440.db2.gz JXICCRXZEBDSIP-FUHWJXTLSA-N 1 3 317.477 2.344 20 30 DEEDHO C=C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccccc1 ZINC001520328772 1069120445 /nfs/dbraw/zinc/12/04/45/1069120445.db2.gz JXICCRXZEBDSIP-FUHWJXTLSA-N 1 3 317.477 2.344 20 30 DEEDHO C=C(C)C[NH+]1CCC(NC(=O)C[C@H]2NCc3ccccc32)CC1 ZINC001574836950 1069274423 /nfs/dbraw/zinc/27/44/23/1069274423.db2.gz XRIJDBHROOMEAH-GOSISDBHSA-N 1 3 313.445 2.378 20 30 DEEDHO C=CCCC1(C[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)CCCC1 ZINC001574901690 1069291449 /nfs/dbraw/zinc/29/14/49/1069291449.db2.gz PKLBVTWGPYQEOR-INIZCTEOSA-N 1 3 307.482 2.300 20 30 DEEDHO C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001483817079 1079131864 /nfs/dbraw/zinc/13/18/64/1079131864.db2.gz BTLGZCBIGRWILR-GOSISDBHSA-N 1 3 321.509 2.462 20 30 DEEDHO C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001483817079 1079131865 /nfs/dbraw/zinc/13/18/65/1079131865.db2.gz BTLGZCBIGRWILR-GOSISDBHSA-N 1 3 321.509 2.462 20 30 DEEDHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](CCC(=C)C)CC1 ZINC001483983665 1079226208 /nfs/dbraw/zinc/22/62/08/1079226208.db2.gz JNEFMRFOTOCXFN-GOSISDBHSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001267683643 1079371919 /nfs/dbraw/zinc/37/19/19/1079371919.db2.gz SHCZTCSTLRLCOX-RDJZCZTQSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[NH2+]CC1CC(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001485110912 1079988166 /nfs/dbraw/zinc/98/81/66/1079988166.db2.gz ZEPFTDFNWABREL-UHFFFAOYSA-N 1 3 301.434 2.032 20 30 DEEDHO CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001656108945 1080048000 /nfs/dbraw/zinc/04/80/00/1080048000.db2.gz AOHYDLMOVLUHMI-SJORKVTESA-N 1 3 309.498 2.441 20 30 DEEDHO CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001656108945 1080048008 /nfs/dbraw/zinc/04/80/08/1080048008.db2.gz AOHYDLMOVLUHMI-SJORKVTESA-N 1 3 309.498 2.441 20 30 DEEDHO CC#CCNC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001661950291 1080548795 /nfs/dbraw/zinc/54/87/95/1080548795.db2.gz LCNDHNHYKDRLLY-MSOLQXFVSA-N 1 3 319.493 2.245 20 30 DEEDHO CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCCCCC1 ZINC001661950291 1080548800 /nfs/dbraw/zinc/54/88/00/1080548800.db2.gz LCNDHNHYKDRLLY-MSOLQXFVSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001661977882 1080550964 /nfs/dbraw/zinc/55/09/64/1080550964.db2.gz PUKGSHGSCZKSEE-MSOLQXFVSA-N 1 3 319.493 2.197 20 30 DEEDHO C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001661977882 1080550970 /nfs/dbraw/zinc/55/09/70/1080550970.db2.gz PUKGSHGSCZKSEE-MSOLQXFVSA-N 1 3 319.493 2.197 20 30 DEEDHO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001662863786 1080670183 /nfs/dbraw/zinc/67/01/83/1080670183.db2.gz YYHQMRNJXOHTBM-GOEBONIOSA-N 1 3 304.438 2.230 20 30 DEEDHO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001662863786 1080670186 /nfs/dbraw/zinc/67/01/86/1080670186.db2.gz YYHQMRNJXOHTBM-GOEBONIOSA-N 1 3 304.438 2.230 20 30 DEEDHO C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001664884760 1080976572 /nfs/dbraw/zinc/97/65/72/1080976572.db2.gz XTEKDUCQVYODOO-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001664884760 1080976582 /nfs/dbraw/zinc/97/65/82/1080976582.db2.gz XTEKDUCQVYODOO-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO C#CCC[NH2+]CC1(NC(=O)[C@@H](C)N2CCCCCC2)CCCC1 ZINC001665951859 1081101647 /nfs/dbraw/zinc/10/16/47/1081101647.db2.gz NYTCSBSQBVIMPF-QGZVFWFLSA-N 1 3 319.493 2.293 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001671748315 1081536599 /nfs/dbraw/zinc/53/65/99/1081536599.db2.gz SIUKKSFHRZDJOO-GOSISDBHSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CC[NH2+]C1(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CCC1 ZINC001673238415 1081748817 /nfs/dbraw/zinc/74/88/17/1081748817.db2.gz RFPYAVCIPIQJEX-HOTGVXAUSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CC[N@H+]1CCC[C@](C)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001270991240 1081867927 /nfs/dbraw/zinc/86/79/27/1081867927.db2.gz MFHNALWJRFGTRN-GOSISDBHSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001270991240 1081867934 /nfs/dbraw/zinc/86/79/34/1081867934.db2.gz MFHNALWJRFGTRN-GOSISDBHSA-N 1 3 309.498 2.369 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](F)CN(CC)CC ZINC001674457809 1081875154 /nfs/dbraw/zinc/87/51/54/1081875154.db2.gz NRHVNKVLMAAJQK-CVEARBPZSA-N 1 3 313.461 2.165 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](F)CN(CC)CC ZINC001674457809 1081875166 /nfs/dbraw/zinc/87/51/66/1081875166.db2.gz NRHVNKVLMAAJQK-CVEARBPZSA-N 1 3 313.461 2.165 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001483198783 1082803787 /nfs/dbraw/zinc/80/37/87/1082803787.db2.gz ZUQFMPLXSPYCCG-OAHLLOKOSA-N 1 3 303.450 2.422 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001496869338 1083059141 /nfs/dbraw/zinc/05/91/41/1083059141.db2.gz PQEVOVVSILSPEH-SJORKVTESA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001496869338 1083059143 /nfs/dbraw/zinc/05/91/43/1083059143.db2.gz PQEVOVVSILSPEH-SJORKVTESA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C(C)C ZINC001491247005 1084185781 /nfs/dbraw/zinc/18/57/81/1084185781.db2.gz IENKLQOOFYUOIZ-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(Cl)CNCCCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001168666405 1084523654 /nfs/dbraw/zinc/52/36/54/1084523654.db2.gz FFONUSBSECSZJF-AWEZNQCLSA-N 1 3 303.878 2.201 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961415082 1085724560 /nfs/dbraw/zinc/72/45/60/1085724560.db2.gz LRPAISWTJPWPJR-INIZCTEOSA-N 1 3 316.449 2.089 20 30 DEEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961415082 1085724566 /nfs/dbraw/zinc/72/45/66/1085724566.db2.gz LRPAISWTJPWPJR-INIZCTEOSA-N 1 3 316.449 2.089 20 30 DEEDHO C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000963158227 1086318800 /nfs/dbraw/zinc/31/88/00/1086318800.db2.gz VDVNKZZDZNOERX-YMAMQOFZSA-N 1 3 313.873 2.192 20 30 DEEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001080017510 1088564596 /nfs/dbraw/zinc/56/45/96/1088564596.db2.gz MCMYFFNUJASQEU-ZACQAIPSSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001080017510 1088564608 /nfs/dbraw/zinc/56/46/08/1088564608.db2.gz MCMYFFNUJASQEU-ZACQAIPSSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCCCCCC[C@@H](O)C[NH2+]CCN1CCCN(C)CC1 ZINC001253250528 1093702003 /nfs/dbraw/zinc/70/20/03/1093702003.db2.gz BHTQTKVJASSQFC-GOSISDBHSA-N 1 3 311.514 2.101 20 30 DEEDHO C=CCC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001318684950 1140385652 /nfs/dbraw/zinc/38/56/52/1140385652.db2.gz CCLJPSCKAPHGRX-SJLPKXTDSA-N 1 3 307.482 2.310 20 30 DEEDHO CCCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@](O)(CN)C1 ZINC001246023349 1140848424 /nfs/dbraw/zinc/84/84/24/1140848424.db2.gz PLLVKXQGHIBWLA-SJORKVTESA-N 1 3 300.487 2.274 20 30 DEEDHO CCCCCCCC[C@@H](O)C[N@H+]1CCCC[C@](O)(CN)C1 ZINC001246023349 1140848430 /nfs/dbraw/zinc/84/84/30/1140848430.db2.gz PLLVKXQGHIBWLA-SJORKVTESA-N 1 3 300.487 2.274 20 30 DEEDHO CC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001322347741 1141537501 /nfs/dbraw/zinc/53/75/01/1141537501.db2.gz VJISFAPZBRPXIR-IAGOWNOFSA-N 1 3 319.493 2.149 20 30 DEEDHO CCCCCCCC[C@H](O)C[NH2+]CCN1CCCN(C)CC1 ZINC001252133313 1142651243 /nfs/dbraw/zinc/65/12/43/1142651243.db2.gz IFAWUJCSSMXNLS-SFHVURJKSA-N 1 3 313.530 2.325 20 30 DEEDHO C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001264127450 1144477141 /nfs/dbraw/zinc/47/71/41/1144477141.db2.gz FTURWJGQFNCRGN-ZWKOTPCHSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001265396698 1144702130 /nfs/dbraw/zinc/70/21/30/1144702130.db2.gz JRZYRDUBQSSIEF-KRWDZBQOSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001265396698 1144702131 /nfs/dbraw/zinc/70/21/31/1144702131.db2.gz JRZYRDUBQSSIEF-KRWDZBQOSA-N 1 3 307.482 2.075 20 30 DEEDHO CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001265526395 1144709121 /nfs/dbraw/zinc/70/91/21/1144709121.db2.gz ZOPTVIPJJLPEPN-ZWKOTPCHSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001265526395 1144709124 /nfs/dbraw/zinc/70/91/24/1144709124.db2.gz ZOPTVIPJJLPEPN-ZWKOTPCHSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001265526393 1144709256 /nfs/dbraw/zinc/70/92/56/1144709256.db2.gz ZOPTVIPJJLPEPN-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001265526393 1144709259 /nfs/dbraw/zinc/70/92/59/1144709259.db2.gz ZOPTVIPJJLPEPN-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001279396285 1144821786 /nfs/dbraw/zinc/82/17/86/1144821786.db2.gz RZXQPOSTUHCFCW-XLAORIBOSA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001279396285 1144821787 /nfs/dbraw/zinc/82/17/87/1144821787.db2.gz RZXQPOSTUHCFCW-XLAORIBOSA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCC[NH2+]C1(CC)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001281035503 1144869513 /nfs/dbraw/zinc/86/95/13/1144869513.db2.gz CULXTLAYONUULQ-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCC[NH+]1CCC(N(CCC)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001317005829 1147578342 /nfs/dbraw/zinc/57/83/42/1147578342.db2.gz LLJTVOXJYIZXTA-QGZVFWFLSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001317509297 1147717753 /nfs/dbraw/zinc/71/77/53/1147717753.db2.gz HTUVVFBDEVIOQJ-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001317509297 1147717755 /nfs/dbraw/zinc/71/77/55/1147717755.db2.gz HTUVVFBDEVIOQJ-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001324655932 1147826208 /nfs/dbraw/zinc/82/62/08/1147826208.db2.gz JVZYJVBBJQVKNG-WMZOPIPTSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001324655932 1147826211 /nfs/dbraw/zinc/82/62/11/1147826211.db2.gz JVZYJVBBJQVKNG-WMZOPIPTSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@H+]1CCC[C@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001324978420 1147863893 /nfs/dbraw/zinc/86/38/93/1147863893.db2.gz UCOIOFICFVILEY-QGZVFWFLSA-N 1 3 304.438 2.055 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001324978420 1147863896 /nfs/dbraw/zinc/86/38/96/1147863896.db2.gz UCOIOFICFVILEY-QGZVFWFLSA-N 1 3 304.438 2.055 20 30 DEEDHO CC[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)N1CCCC1 ZINC000083031387 355462557 /nfs/dbraw/zinc/46/25/57/355462557.db2.gz ZBWXZAFJQRXBAE-GDBMZVCRSA-N 1 3 316.449 2.289 20 30 DEEDHO C=CC[C@H](CO)[NH2+]Cc1ccccc1N1CCN(CCC)CC1 ZINC000680484247 542012243 /nfs/dbraw/zinc/01/22/43/542012243.db2.gz IBUIAHGMELAFJW-GOSISDBHSA-N 1 3 317.477 2.245 20 30 DEEDHO CN(C)Cc1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000104327297 402202966 /nfs/dbraw/zinc/20/29/66/402202966.db2.gz FCMAVWNADSTLGC-UHFFFAOYSA-N 1 3 316.449 2.056 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@H]([NH+](CC)CC)C2)CC1 ZINC000176500845 402315263 /nfs/dbraw/zinc/31/52/63/402315263.db2.gz NCRHRWDKWCJOSM-KRWDZBQOSA-N 1 3 322.497 2.153 20 30 DEEDHO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000185896104 402387113 /nfs/dbraw/zinc/38/71/13/402387113.db2.gz NEIVTSZYCVXKRZ-LZQZEXGQSA-N 1 3 313.445 2.425 20 30 DEEDHO Cc1cc(C#N)ccc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000186314445 402420327 /nfs/dbraw/zinc/42/03/27/402420327.db2.gz AXBZFCJQRJJIIU-UHFFFAOYSA-N 1 3 314.477 2.325 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)C(C)C ZINC000180989439 402631384 /nfs/dbraw/zinc/63/13/84/402631384.db2.gz LGHPEGYVZSPVIQ-AEFFLSMTSA-N 1 3 307.482 2.333 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc2[nH]ccc2c1 ZINC000281818712 403095065 /nfs/dbraw/zinc/09/50/65/403095065.db2.gz QWQGIIDVVWSLRU-MRXNPFEDSA-N 1 3 313.449 2.099 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc2[nH]c(C)cc2c1 ZINC000285153454 403278727 /nfs/dbraw/zinc/27/87/27/403278727.db2.gz RYRMSSTVCJRYME-INIZCTEOSA-N 1 3 313.449 2.365 20 30 DEEDHO C=CCCCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000364218458 404327850 /nfs/dbraw/zinc/32/78/50/404327850.db2.gz BPLAGORHKTWDSZ-UHFFFAOYSA-N 1 3 322.497 2.201 20 30 DEEDHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](N)CCCC#N ZINC000424194184 405036677 /nfs/dbraw/zinc/03/66/77/405036677.db2.gz RWSGGVVNQFHTSR-QGZVFWFLSA-N 1 3 316.449 2.118 20 30 DEEDHO CCN(CC)[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)c1ccsc1 ZINC000424126951 405015509 /nfs/dbraw/zinc/01/55/09/405015509.db2.gz CIVQDZWMSRDSFM-HUUCEWRRSA-N 1 3 322.478 2.268 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)C(C)C ZINC000417072803 405027085 /nfs/dbraw/zinc/02/70/85/405027085.db2.gz XHLUIINPPKBLNH-YESZJQIVSA-N 1 3 322.497 2.064 20 30 DEEDHO C=CCN1CCC([NH2+][C@H]2CCN(CCCOCC)C[C@@H]2C)CC1 ZINC000361226918 404982447 /nfs/dbraw/zinc/98/24/47/404982447.db2.gz DFQCPNHLSDAQFU-HKUYNNGSSA-N 1 3 323.525 2.363 20 30 DEEDHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000354098769 405044239 /nfs/dbraw/zinc/04/42/39/405044239.db2.gz ZSDUUTGBCPHZGV-GOSISDBHSA-N 1 3 301.434 2.491 20 30 DEEDHO COc1cc(C[NH2+]CCCN2CCCO[C@@H](C)C2)ccc1C#N ZINC000440624061 405319898 /nfs/dbraw/zinc/31/98/98/405319898.db2.gz MKMRKFQEISNKND-HNNXBMFYSA-N 1 3 317.433 2.157 20 30 DEEDHO C=CC[C@H](CO)CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423018630 405694829 /nfs/dbraw/zinc/69/48/29/405694829.db2.gz RJPQACGURVOKOV-ZVZYQTTQSA-N 1 3 302.418 2.017 20 30 DEEDHO C=CCCOCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423012964 405695081 /nfs/dbraw/zinc/69/50/81/405695081.db2.gz LRJVHEHANJHQKT-AEFFLSMTSA-N 1 3 302.418 2.425 20 30 DEEDHO N#Cc1ccc(CN2CCC(NCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000570792786 406438290 /nfs/dbraw/zinc/43/82/90/406438290.db2.gz SVDHSUMYIPXMMZ-GOSISDBHSA-N 1 3 312.461 2.254 20 30 DEEDHO C=CC[C@@]1(C(=O)Nc2ccc3c(c2F)CCNC3)CCC[NH2+]1 ZINC000662777621 425734327 /nfs/dbraw/zinc/73/43/27/425734327.db2.gz VRAFZTAIDGSLLZ-KRWDZBQOSA-N 1 3 303.381 2.108 20 30 DEEDHO CN(C)CCN1CCC([NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353430947 276761617 /nfs/dbraw/zinc/76/16/17/276761617.db2.gz XKJJGXPCSFLRPJ-LJQANCHMSA-N 1 3 312.461 2.161 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000106333578 277775486 /nfs/dbraw/zinc/77/54/86/277775486.db2.gz HYGCSIGCPRYGMU-INIZCTEOSA-N 1 3 322.497 2.058 20 30 DEEDHO C=C(C)CN1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001330260240 1149082276 /nfs/dbraw/zinc/08/22/76/1149082276.db2.gz BFUAGPXYESTJAO-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C[NH+]=C(NCC1(N(C)C)CCCCCC1)N1CC[C@@H](COC)C1 ZINC000262501075 526350381 /nfs/dbraw/zinc/35/03/81/526350381.db2.gz YJVSMKLUTDVCSC-MRXNPFEDSA-N 1 3 324.513 2.185 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000189818869 526583454 /nfs/dbraw/zinc/58/34/54/526583454.db2.gz BKAXVOOWYUQXJZ-UHFFFAOYSA-N 1 3 322.497 2.153 20 30 DEEDHO C#C[C@@H](NC(=[NH2+])NC[C@H]1CCCN1CC)c1ccc(Cl)cc1 ZINC000262231524 527195077 /nfs/dbraw/zinc/19/50/77/527195077.db2.gz ABOFHKGELCKRBL-HZPDHXFCSA-N 1 3 318.852 2.403 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccccc2)CC1 ZINC000264064986 529101561 /nfs/dbraw/zinc/10/15/61/529101561.db2.gz DVTWFAJZTXSHRE-INIZCTEOSA-N 1 3 300.450 2.107 20 30 DEEDHO C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001327528610 1148578411 /nfs/dbraw/zinc/57/84/11/1148578411.db2.gz BOVKDVINOIJAPU-HKUYNNGSSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001023632928 625364416 /nfs/dbraw/zinc/36/44/16/625364416.db2.gz RXEXBWROXDAGKX-QZTJIDSGSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001023632928 625364417 /nfs/dbraw/zinc/36/44/17/625364417.db2.gz RXEXBWROXDAGKX-QZTJIDSGSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC000969648417 622863598 /nfs/dbraw/zinc/86/35/98/622863598.db2.gz JNEGXPMHUMRZTF-RDJZCZTQSA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCN2CCC)C1 ZINC000969793398 622924275 /nfs/dbraw/zinc/92/42/75/622924275.db2.gz OHNZWANUHQKTGX-WBVHZDCISA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001027692536 634446969 /nfs/dbraw/zinc/44/69/69/634446969.db2.gz LLHYUFVTKUEAGF-SFHVURJKSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001027692536 634446970 /nfs/dbraw/zinc/44/69/70/634446970.db2.gz LLHYUFVTKUEAGF-SFHVURJKSA-N 1 3 315.461 2.471 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)CC1(C)C ZINC000995791505 633122420 /nfs/dbraw/zinc/12/24/20/633122420.db2.gz HXKQNYHWPRFBRR-HOTGVXAUSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974779753 633301285 /nfs/dbraw/zinc/30/12/85/633301285.db2.gz YOQWZUNKHOUIFU-OAHLLOKOSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CCC[N@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974779753 633301294 /nfs/dbraw/zinc/30/12/94/633301294.db2.gz YOQWZUNKHOUIFU-OAHLLOKOSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CCC[N@@H+]1C[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974864838 633339692 /nfs/dbraw/zinc/33/96/92/633339692.db2.gz RNOHFDJSABAUIJ-IRXDYDNUSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCC[N@H+]1C[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974864838 633339695 /nfs/dbraw/zinc/33/96/95/633339695.db2.gz RNOHFDJSABAUIJ-IRXDYDNUSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001027411321 633750601 /nfs/dbraw/zinc/75/06/01/633750601.db2.gz OZAFDFLQLLEQLE-MRXNPFEDSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001027411321 633750607 /nfs/dbraw/zinc/75/06/07/633750607.db2.gz OZAFDFLQLLEQLE-MRXNPFEDSA-N 1 3 307.482 2.360 20 30 DEEDHO C#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000998018604 634115139 /nfs/dbraw/zinc/11/51/39/634115139.db2.gz VUJAZCLTFMSLDC-ROUUACIJSA-N 1 3 319.493 2.195 20 30 DEEDHO C#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000998018604 634115145 /nfs/dbraw/zinc/11/51/45/634115145.db2.gz VUJAZCLTFMSLDC-ROUUACIJSA-N 1 3 319.493 2.195 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC000978149510 634226977 /nfs/dbraw/zinc/22/69/77/634226977.db2.gz RLXHZIHSFODCIU-FJIDUMEYSA-N 1 3 319.493 2.119 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC000978149510 634226982 /nfs/dbraw/zinc/22/69/82/634226982.db2.gz RLXHZIHSFODCIU-FJIDUMEYSA-N 1 3 319.493 2.119 20 30 DEEDHO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000980483705 635016526 /nfs/dbraw/zinc/01/65/26/635016526.db2.gz SCHPDJIVOHFASC-MRXNPFEDSA-N 1 3 301.434 2.081 20 30 DEEDHO C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000980483705 635016529 /nfs/dbraw/zinc/01/65/29/635016529.db2.gz SCHPDJIVOHFASC-MRXNPFEDSA-N 1 3 301.434 2.081 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004460046 636459233 /nfs/dbraw/zinc/45/92/33/636459233.db2.gz UHGOIEJMNSWNHM-GOSISDBHSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004460046 636459235 /nfs/dbraw/zinc/45/92/35/636459235.db2.gz UHGOIEJMNSWNHM-GOSISDBHSA-N 1 3 319.493 2.360 20 30 DEEDHO CC#CCN1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001028919363 636853494 /nfs/dbraw/zinc/85/34/94/636853494.db2.gz UOOHWMZEERBNAF-ROUUACIJSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CCN1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028919363 636853498 /nfs/dbraw/zinc/85/34/98/636853498.db2.gz UOOHWMZEERBNAF-ROUUACIJSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)CC3)CC[C@@H]2C1 ZINC000946834091 636866589 /nfs/dbraw/zinc/86/65/89/636866589.db2.gz XWUMEIGINWXKSW-HDICACEKSA-N 1 3 319.493 2.075 20 30 DEEDHO C=CC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)CC3)CC[C@@H]2C1 ZINC000946834091 636866599 /nfs/dbraw/zinc/86/65/99/636866599.db2.gz XWUMEIGINWXKSW-HDICACEKSA-N 1 3 319.493 2.075 20 30 DEEDHO CC(C)(C)[C@]1(C[NH3+])CCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000923413221 637166542 /nfs/dbraw/zinc/16/65/42/637166542.db2.gz FAQPFEJXLBBZOY-AEFFLSMTSA-N 1 3 301.434 2.289 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000763974733 640592127 /nfs/dbraw/zinc/59/21/27/640592127.db2.gz YQNFRVCVNPQZRA-AWEZNQCLSA-N 1 3 307.463 2.119 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000900333568 642323896 /nfs/dbraw/zinc/32/38/96/642323896.db2.gz BXPONDIJYYPRQO-AEFFLSMTSA-N 1 3 315.461 2.446 20 30 DEEDHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc(C#N)ccn1 ZINC000902871363 643165860 /nfs/dbraw/zinc/16/58/60/643165860.db2.gz MYAMRENZORUWFO-BZUAXINKSA-N 1 3 316.449 2.493 20 30 DEEDHO C=CCN1CC[C@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@H]12 ZINC000992365830 646959638 /nfs/dbraw/zinc/95/96/38/646959638.db2.gz DIZZPBXPEWZIFQ-PKOBYXMFSA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC000913709613 647013484 /nfs/dbraw/zinc/01/34/84/647013484.db2.gz RNZNZKNCOZXKPT-SFHVURJKSA-N 1 3 315.461 2.193 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCC)[C@@H]2C)CC1 ZINC000994491910 647969996 /nfs/dbraw/zinc/96/99/96/647969996.db2.gz AMQALEATFFVNDS-SJLPKXTDSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCC)[C@@H]2C)CC1 ZINC000994491910 647970000 /nfs/dbraw/zinc/97/00/00/647970000.db2.gz AMQALEATFFVNDS-SJLPKXTDSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C(C)(C)C1 ZINC000940738037 648935605 /nfs/dbraw/zinc/93/56/05/648935605.db2.gz VFTCBVLAHYKXER-DLBZAZTESA-N 1 3 319.493 2.099 20 30 DEEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C(C)(C)C1 ZINC000940738037 648935606 /nfs/dbraw/zinc/93/56/06/648935606.db2.gz VFTCBVLAHYKXER-DLBZAZTESA-N 1 3 319.493 2.099 20 30 DEEDHO C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C(C)(C)C1 ZINC000940737356 648935705 /nfs/dbraw/zinc/93/57/05/648935705.db2.gz NXLDKYLNNDOCRG-HOTGVXAUSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C(C)(C)C1 ZINC000940737356 648935706 /nfs/dbraw/zinc/93/57/06/648935706.db2.gz NXLDKYLNNDOCRG-HOTGVXAUSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941079030 649000329 /nfs/dbraw/zinc/00/03/29/649000329.db2.gz KWXDSFWQIXUWCD-INIZCTEOSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCOc1ccc(CNC(=[NH2+])NC[C@H]2CCCN2CC)cc1 ZINC000849026934 651587309 /nfs/dbraw/zinc/58/73/09/651587309.db2.gz NIILVPHYAAHXBB-MRXNPFEDSA-N 1 3 316.449 2.350 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054145485 693861589 /nfs/dbraw/zinc/86/15/89/693861589.db2.gz QRLGNRWDMBLVFH-PKOBYXMFSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054145485 693861593 /nfs/dbraw/zinc/86/15/93/693861593.db2.gz QRLGNRWDMBLVFH-PKOBYXMFSA-N 1 3 319.493 2.217 20 30 DEEDHO COc1ccc(OC)c(NC(=[NH2+])NCCN2CCCCCC2)c1 ZINC000303881917 685237870 /nfs/dbraw/zinc/23/78/70/685237870.db2.gz HXRZBHONGALMAW-UHFFFAOYSA-N 1 3 320.437 2.306 20 30 DEEDHO CC[C@@H](CNC(=[NH2+])Nc1cc(OC)ccc1OC)N1CCCC1 ZINC000303886575 685237986 /nfs/dbraw/zinc/23/79/86/685237986.db2.gz KFTXFAVIJATYOQ-ZDUSSCGKSA-N 1 3 320.437 2.305 20 30 DEEDHO C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001016652742 687674802 /nfs/dbraw/zinc/67/48/02/687674802.db2.gz WILUTYIDUQTKMD-IAGOWNOFSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001020238850 688489276 /nfs/dbraw/zinc/48/92/76/688489276.db2.gz FRBHCKUDNNPLSX-KKUMJFAQSA-N 1 3 313.873 2.239 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001020238850 688489278 /nfs/dbraw/zinc/48/92/78/688489278.db2.gz FRBHCKUDNNPLSX-KKUMJFAQSA-N 1 3 313.873 2.239 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000876722505 689915500 /nfs/dbraw/zinc/91/55/00/689915500.db2.gz WXZJFNXPDRJEKR-CABCVRRESA-N 1 3 315.889 2.329 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000876724337 689916216 /nfs/dbraw/zinc/91/62/16/689916216.db2.gz UKHKKRZKZPHNDJ-CQSZACIVSA-N 1 3 301.862 2.037 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000876763171 689929145 /nfs/dbraw/zinc/92/91/45/689929145.db2.gz IOMISWWRTXLYKX-UKRRQHHQSA-N 1 3 309.841 2.093 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000876763171 689929147 /nfs/dbraw/zinc/92/91/47/689929147.db2.gz IOMISWWRTXLYKX-UKRRQHHQSA-N 1 3 309.841 2.093 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000876762564 689929702 /nfs/dbraw/zinc/92/97/02/689929702.db2.gz CJTZWSOWWFLDIU-AWEZNQCLSA-N 1 3 301.862 2.229 20 30 DEEDHO C=CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035227770 690066997 /nfs/dbraw/zinc/06/69/97/690066997.db2.gz XXHCJSXZBGXLSM-UHFFFAOYSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035227770 690067000 /nfs/dbraw/zinc/06/70/00/690067000.db2.gz XXHCJSXZBGXLSM-UHFFFAOYSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001036716532 690443594 /nfs/dbraw/zinc/44/35/94/690443594.db2.gz HLEIMENLWLUHAZ-IAGOWNOFSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001036716532 690443595 /nfs/dbraw/zinc/44/35/95/690443595.db2.gz HLEIMENLWLUHAZ-IAGOWNOFSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036736274 690452235 /nfs/dbraw/zinc/45/22/35/690452235.db2.gz XNJMRPISLXHTQG-SJORKVTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036736274 690452239 /nfs/dbraw/zinc/45/22/39/690452239.db2.gz XNJMRPISLXHTQG-SJORKVTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCC[C@H]1C ZINC001039437574 691105558 /nfs/dbraw/zinc/10/55/58/691105558.db2.gz OTDHBDJIRABHFL-ZACQAIPSSA-N 1 3 305.466 2.112 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCC[C@H]1C ZINC001039437574 691105561 /nfs/dbraw/zinc/10/55/61/691105561.db2.gz OTDHBDJIRABHFL-ZACQAIPSSA-N 1 3 305.466 2.112 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001040261325 691222183 /nfs/dbraw/zinc/22/21/83/691222183.db2.gz MLUBHCCNODACKX-SJLPKXTDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001040261325 691222184 /nfs/dbraw/zinc/22/21/84/691222184.db2.gz MLUBHCCNODACKX-SJLPKXTDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[NH+]1CCC2(CCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001040727551 691283064 /nfs/dbraw/zinc/28/30/64/691283064.db2.gz SQUVRYNAIPSKJD-UHFFFAOYSA-N 1 3 319.493 2.361 20 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692064516 /nfs/dbraw/zinc/06/45/16/692064516.db2.gz WNXIEECKCFQVDA-FUHWJXTLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001049568762 692924138 /nfs/dbraw/zinc/92/41/38/692924138.db2.gz WERSTRCQAFESDE-KSZLIROESA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001049568762 692924142 /nfs/dbraw/zinc/92/41/42/692924142.db2.gz WERSTRCQAFESDE-KSZLIROESA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049713550 692972964 /nfs/dbraw/zinc/97/29/64/692972964.db2.gz ZGXFRJNHUXBAJC-BRWVUGGUSA-N 1 3 307.482 2.214 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049713550 692972969 /nfs/dbraw/zinc/97/29/69/692972969.db2.gz ZGXFRJNHUXBAJC-BRWVUGGUSA-N 1 3 307.482 2.214 20 30 DEEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049819752 693011438 /nfs/dbraw/zinc/01/14/38/693011438.db2.gz HUNDVRRMSWSNPV-ZWKOTPCHSA-N 1 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/nfs/dbraw/zinc/59/20/10/1150592010.db2.gz ISXDSMJXOGOCPQ-MRXNPFEDSA-N 1 3 314.433 2.208 20 30 DEEDHO CN1CCCC[C@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001336017608 1150592018 /nfs/dbraw/zinc/59/20/18/1150592018.db2.gz ISXDSMJXOGOCPQ-MRXNPFEDSA-N 1 3 314.433 2.208 20 30 DEEDHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001392009175 1156848344 /nfs/dbraw/zinc/84/83/44/1156848344.db2.gz TVGQEVLFVQVJSY-ZIAGYGMSSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001392009175 1156848345 /nfs/dbraw/zinc/84/83/45/1156848345.db2.gz TVGQEVLFVQVJSY-ZIAGYGMSSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)C[NH2+]C1(C)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001393737539 1157942394 /nfs/dbraw/zinc/94/23/94/1157942394.db2.gz RLOYLNVRNZTJOP-CYBMUJFWSA-N 1 3 313.873 2.051 20 30 DEEDHO C=C(Cl)CNC[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001375245624 1158399700 /nfs/dbraw/zinc/39/97/00/1158399700.db2.gz XKLCVXGLSCMNTJ-AWEZNQCLSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001400075505 1161647594 /nfs/dbraw/zinc/64/75/94/1161647594.db2.gz AEPXTBGOJSXLSN-ZFWWWQNUSA-N 1 3 315.889 2.296 20 30 DEEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001436473479 1179128960 /nfs/dbraw/zinc/12/89/60/1179128960.db2.gz DOBMRYDEUSWBFV-HNNXBMFYSA-N 1 3 315.889 2.442 20 30 DEEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001436473479 1179128969 /nfs/dbraw/zinc/12/89/69/1179128969.db2.gz DOBMRYDEUSWBFV-HNNXBMFYSA-N 1 3 315.889 2.442 20 30 DEEDHO N#CCCCC[C@H](N)C(=O)N(CC[NH3+])Cc1cccc(Cl)c1 ZINC001332110430 1149820449 /nfs/dbraw/zinc/82/04/49/1149820449.db2.gz HKYZWXYPXGHCGO-HNNXBMFYSA-N 1 3 322.840 2.039 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001106339459 782662185 /nfs/dbraw/zinc/66/21/85/782662185.db2.gz NABJPAQCGFUYIW-TZMCWYRMSA-N 1 3 315.889 2.153 20 30 DEEDHO C=CCCC[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232700 776786586 /nfs/dbraw/zinc/78/65/86/776786586.db2.gz MWSGCXPMZBXQAB-MRXNPFEDSA-N 1 3 307.482 2.171 20 30 DEEDHO C=C(C)C[NH2+]CC1(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001167240246 776792020 /nfs/dbraw/zinc/79/20/20/776792020.db2.gz GLLSBPVCQLWITD-UHFFFAOYSA-N 1 3 309.498 2.417 20 30 DEEDHO CC#CC[NH2+]C1(CNC(=O)C(C)(C)N(C)CC)CCCCC1 ZINC001115601631 777310433 /nfs/dbraw/zinc/31/04/33/777310433.db2.gz KWDQOLMFHCGKAY-UHFFFAOYSA-N 1 3 307.482 2.149 20 30 DEEDHO C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001167900839 778763566 /nfs/dbraw/zinc/76/35/66/778763566.db2.gz MZDCVWYDKTWBOD-AWEZNQCLSA-N 1 3 318.465 2.491 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)[C@H]1CC ZINC001087671955 779405511 /nfs/dbraw/zinc/40/55/11/779405511.db2.gz XBOWXIONXVCYKZ-RCCFBDPRSA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)[C@H]1CC ZINC001087671955 779405517 /nfs/dbraw/zinc/40/55/17/779405517.db2.gz XBOWXIONXVCYKZ-RCCFBDPRSA-N 1 3 319.493 2.406 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671710 779406229 /nfs/dbraw/zinc/40/62/29/779406229.db2.gz MCEWYEZNTHJEFH-BBWFWOEESA-N 1 3 305.466 2.016 20 30 DEEDHO CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203427031 780203672 /nfs/dbraw/zinc/20/36/72/780203672.db2.gz SDMPQNXLRDACMP-JKSUJKDBSA-N 1 3 319.493 2.005 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)[C@H]1C ZINC001088770327 780970133 /nfs/dbraw/zinc/97/01/33/780970133.db2.gz IZVRIWDDVCVRKY-BPQIPLTHSA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)[C@H]1C ZINC001088770327 780970137 /nfs/dbraw/zinc/97/01/37/780970137.db2.gz IZVRIWDDVCVRKY-BPQIPLTHSA-N 1 3 319.493 2.406 20 30 DEEDHO C=CCN1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001076365731 781235449 /nfs/dbraw/zinc/23/54/49/781235449.db2.gz LFJYIOISJNEZQX-ZWKOTPCHSA-N 1 3 313.445 2.081 20 30 DEEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085593384 783859914 /nfs/dbraw/zinc/85/99/14/783859914.db2.gz IKWNVQZULFXLIG-DLBZAZTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001085593384 783859920 /nfs/dbraw/zinc/85/99/20/783859920.db2.gz IKWNVQZULFXLIG-DLBZAZTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCN1C(C)C ZINC001085593384 783859931 /nfs/dbraw/zinc/85/99/31/783859931.db2.gz IKWNVQZULFXLIG-DLBZAZTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCN1C(C)C ZINC001085593384 783859939 /nfs/dbraw/zinc/85/99/39/783859939.db2.gz IKWNVQZULFXLIG-DLBZAZTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085593385 783860297 /nfs/dbraw/zinc/86/02/97/783860297.db2.gz IKWNVQZULFXLIG-IAGOWNOFSA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001085593385 783860305 /nfs/dbraw/zinc/86/03/05/783860305.db2.gz IKWNVQZULFXLIG-IAGOWNOFSA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCN1C(C)C ZINC001085593385 783860313 /nfs/dbraw/zinc/86/03/13/783860313.db2.gz IKWNVQZULFXLIG-IAGOWNOFSA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCN1C(C)C ZINC001085593385 783860318 /nfs/dbraw/zinc/86/03/18/783860318.db2.gz IKWNVQZULFXLIG-IAGOWNOFSA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001085629050 783904375 /nfs/dbraw/zinc/90/43/75/783904375.db2.gz KRVKCCNSHSYSKC-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001085629050 783904382 /nfs/dbraw/zinc/90/43/82/783904382.db2.gz KRVKCCNSHSYSKC-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCN1CCC ZINC001085629050 783904387 /nfs/dbraw/zinc/90/43/87/783904387.db2.gz KRVKCCNSHSYSKC-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCN1CCC ZINC001085629050 783904392 /nfs/dbraw/zinc/90/43/92/783904392.db2.gz KRVKCCNSHSYSKC-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001086250940 784523755 /nfs/dbraw/zinc/52/37/55/784523755.db2.gz UBLUNQMGSMGFON-BBWFWOEESA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001008751165 785295159 /nfs/dbraw/zinc/29/51/59/785295159.db2.gz ZARATFKEWRJPLH-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001008751165 785295168 /nfs/dbraw/zinc/29/51/68/785295168.db2.gz ZARATFKEWRJPLH-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(CC)CC)C2 ZINC001108785554 785533918 /nfs/dbraw/zinc/53/39/18/785533918.db2.gz INVAUPBNPVWVRJ-BBWFWOEESA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014430823 786584159 /nfs/dbraw/zinc/58/41/59/786584159.db2.gz HHTJCLNQHXQKMR-SJORKVTESA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014430823 786584166 /nfs/dbraw/zinc/58/41/66/786584166.db2.gz HHTJCLNQHXQKMR-SJORKVTESA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C ZINC001132892616 788220178 /nfs/dbraw/zinc/22/01/78/788220178.db2.gz HCJSJXGEXNDTIR-HOTGVXAUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C ZINC001132892617 788220208 /nfs/dbraw/zinc/22/02/08/788220208.db2.gz HCJSJXGEXNDTIR-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C ZINC001133275103 788346681 /nfs/dbraw/zinc/34/66/81/788346681.db2.gz PGONJTJEIMGIOT-SJORKVTESA-N 1 3 309.498 2.369 20 30 DEEDHO C=CC[N@H+]1CCC2(CN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001148458085 791749846 /nfs/dbraw/zinc/74/98/46/791749846.db2.gz IETJVZJACPKRON-UHFFFAOYSA-N 1 3 307.482 2.219 20 30 DEEDHO C=CC[N@@H+]1CCC2(CN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001148458085 791749849 /nfs/dbraw/zinc/74/98/49/791749849.db2.gz IETJVZJACPKRON-UHFFFAOYSA-N 1 3 307.482 2.219 20 30 DEEDHO C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001086881996 791835414 /nfs/dbraw/zinc/83/54/14/791835414.db2.gz VPDPFBWVOYERSM-MAUKXSAKSA-N 1 3 315.461 2.422 20 30 DEEDHO C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001101547780 793223880 /nfs/dbraw/zinc/22/38/80/793223880.db2.gz PFOAPAVPRWVEKU-KRWDZBQOSA-N 1 3 321.509 2.367 20 30 DEEDHO C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001101597388 793260109 /nfs/dbraw/zinc/26/01/09/793260109.db2.gz IWYCKIQVUUPGQU-UHFFFAOYSA-N 1 3 321.509 2.204 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103436101 794093091 /nfs/dbraw/zinc/09/30/91/794093091.db2.gz KKHPRLGEXUHMLY-RCCFBDPRSA-N 1 3 321.509 2.369 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103436101 794093093 /nfs/dbraw/zinc/09/30/93/794093093.db2.gz KKHPRLGEXUHMLY-RCCFBDPRSA-N 1 3 321.509 2.369 20 30 DEEDHO C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCCCCC)C1 ZINC001103541910 794138918 /nfs/dbraw/zinc/13/89/18/794138918.db2.gz AMGRWKYHQMNLKM-QZTJIDSGSA-N 1 3 321.509 2.206 20 30 DEEDHO C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCCCCC)C1 ZINC001103541910 794138925 /nfs/dbraw/zinc/13/89/25/794138925.db2.gz AMGRWKYHQMNLKM-QZTJIDSGSA-N 1 3 321.509 2.206 20 30 DEEDHO C=C(Cl)CNCCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176308965 794407831 /nfs/dbraw/zinc/40/78/31/794407831.db2.gz GPURTBSUMUIFRN-UHFFFAOYSA-N 1 3 301.862 2.101 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)CCCC[NH2+]CCC)CC1 ZINC001176738739 794484133 /nfs/dbraw/zinc/48/41/33/794484133.db2.gz SLCZMJLUMQNDTE-MRXNPFEDSA-N 1 3 307.482 2.006 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001179779426 795169829 /nfs/dbraw/zinc/16/98/29/795169829.db2.gz OPBWROHMESYYEV-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CC[NH2+]CCCCCCNC(=O)c1cccc(CN(C)C)c1 ZINC001180356622 795281318 /nfs/dbraw/zinc/28/13/18/795281318.db2.gz FHTDKBAMOFKAQH-UHFFFAOYSA-N 1 3 315.461 2.261 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001120440900 795460782 /nfs/dbraw/zinc/46/07/82/795460782.db2.gz UXJMUOQBGQOBES-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001120440900 795460785 /nfs/dbraw/zinc/46/07/85/795460785.db2.gz UXJMUOQBGQOBES-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001120448883 795462302 /nfs/dbraw/zinc/46/23/02/795462302.db2.gz HYPPAFYAWXUTCH-MSOLQXFVSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001120448883 795462305 /nfs/dbraw/zinc/46/23/05/795462305.db2.gz HYPPAFYAWXUTCH-MSOLQXFVSA-N 1 3 319.493 2.055 20 30 DEEDHO C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001182630499 795715122 /nfs/dbraw/zinc/71/51/22/795715122.db2.gz YAIYMWSDEASSOZ-YQVWRLOYSA-N 1 3 321.509 2.369 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001185168807 796201351 /nfs/dbraw/zinc/20/13/51/796201351.db2.gz JEVXOCVXOJQMAS-SJORKVTESA-N 1 3 321.509 2.369 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001185379260 796244372 /nfs/dbraw/zinc/24/43/72/796244372.db2.gz AZWRKRQYFYSNQU-ROUUACIJSA-N 1 3 321.509 2.369 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001185535429 796286380 /nfs/dbraw/zinc/28/63/80/796286380.db2.gz DRTQTNIOZHVDFZ-DZGCQCFKSA-N 1 3 315.889 2.155 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001185761565 796311855 /nfs/dbraw/zinc/31/18/55/796311855.db2.gz HSTLRNXXMFCXRT-UKRRQHHQSA-N 1 3 315.889 2.153 20 30 DEEDHO C=CCCC[NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001203046746 796539295 /nfs/dbraw/zinc/53/92/95/796539295.db2.gz ASRCFFBCJFMKEM-UHFFFAOYSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001189389235 796816410 /nfs/dbraw/zinc/81/64/10/796816410.db2.gz IWYUDRCEBVSOAA-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001189389235 796816412 /nfs/dbraw/zinc/81/64/12/796816412.db2.gz IWYUDRCEBVSOAA-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO N#Cc1ccc2ccnc(N3CCC([N@@H+]4CC[C@@H](N)C4)CC3)c2c1 ZINC001158260244 798369249 /nfs/dbraw/zinc/36/92/49/798369249.db2.gz ZFUIJPWASFVFOU-MRXNPFEDSA-N 1 3 321.428 2.108 20 30 DEEDHO N#Cc1ccc2ccnc(N3CCC([N@H+]4CC[C@@H](N)C4)CC3)c2c1 ZINC001158260244 798369254 /nfs/dbraw/zinc/36/92/54/798369254.db2.gz ZFUIJPWASFVFOU-MRXNPFEDSA-N 1 3 321.428 2.108 20 30 DEEDHO CC#CCN1CC=C(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001160399567 798683476 /nfs/dbraw/zinc/68/34/76/798683476.db2.gz AHEJUDJISMKOQM-SFHVURJKSA-N 1 3 317.477 2.023 20 30 DEEDHO CC#CCN1CC=C(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001160399567 798683479 /nfs/dbraw/zinc/68/34/79/798683479.db2.gz AHEJUDJISMKOQM-SFHVURJKSA-N 1 3 317.477 2.023 20 30 DEEDHO C=CCC[C@H](C)[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001202495985 798984650 /nfs/dbraw/zinc/98/46/50/798984650.db2.gz LWSIHAWKMMXABN-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001165484301 799735737 /nfs/dbraw/zinc/73/57/37/799735737.db2.gz CEZXHYRFFRPSDM-INIZCTEOSA-N 1 3 307.482 2.169 20 30 DEEDHO C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203651174 800100157 /nfs/dbraw/zinc/10/01/57/800100157.db2.gz LWQVCIVBHDTMDB-HZPDHXFCSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC001205526085 800370370 /nfs/dbraw/zinc/37/03/70/800370370.db2.gz CRSAHAJHBQIJBS-HNNXBMFYSA-N 1 3 313.873 2.051 20 30 DEEDHO C=CCC[C@H](C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001229185603 801239082 /nfs/dbraw/zinc/23/90/82/801239082.db2.gz OYOBQFMSNUPJPK-HOTGVXAUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001230618072 801438190 /nfs/dbraw/zinc/43/81/90/801438190.db2.gz JRHDKKYILVFHHT-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001230618072 801438194 /nfs/dbraw/zinc/43/81/94/801438194.db2.gz JRHDKKYILVFHHT-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211374996 801556602 /nfs/dbraw/zinc/55/66/02/801556602.db2.gz VKGSMKRUYVYXMB-BRWVUGGUSA-N 1 3 307.482 2.119 20 30 DEEDHO CCN1C[C@@H]2C[NH+](Cc3ccc(N(C)CCC#N)cc3)C[C@H]2C1 ZINC001231821964 801734486 /nfs/dbraw/zinc/73/44/86/801734486.db2.gz PUUVGMDVGGWXRW-QZTJIDSGSA-N 1 3 312.461 2.420 20 30 DEEDHO C=CC[C@@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)c1ccccc1 ZINC001221360130 802559556 /nfs/dbraw/zinc/55/95/56/802559556.db2.gz DXUZWBFJTFGUEO-IAGOWNOFSA-N 1 3 313.445 2.294 20 30 DEEDHO C=CC[C@@H](NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)c1ccccc1 ZINC001221360130 802559562 /nfs/dbraw/zinc/55/95/62/802559562.db2.gz DXUZWBFJTFGUEO-IAGOWNOFSA-N 1 3 313.445 2.294 20 30 DEEDHO C=C(C)C[NH+]1CCC(CNC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001225542722 802979561 /nfs/dbraw/zinc/97/95/61/802979561.db2.gz NNBFQZISSJZPKE-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001505837158 1061019316 /nfs/dbraw/zinc/01/93/16/1061019316.db2.gz PKVSYMHYIXJZMC-QGZVFWFLSA-N 1 3 321.509 2.347 20 30 DEEDHO CC#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001479519468 1061487874 /nfs/dbraw/zinc/48/78/74/1061487874.db2.gz LPWYCBWUGWORRD-SJLPKXTDSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCN(C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001569135707 1065312340 /nfs/dbraw/zinc/31/23/40/1065312340.db2.gz ZUGVHNVLKUCEDJ-NVXWUHKLSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCN(C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001569135707 1065312351 /nfs/dbraw/zinc/31/23/51/1065312351.db2.gz ZUGVHNVLKUCEDJ-NVXWUHKLSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001569386056 1065481606 /nfs/dbraw/zinc/48/16/06/1065481606.db2.gz IYGASXUBDZCEMX-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C(C)C ZINC001496563963 1065564405 /nfs/dbraw/zinc/56/44/05/1065564405.db2.gz AFUQVSIEKRTOTQ-GJZGRUSLSA-N 1 3 315.889 2.344 20 30 DEEDHO C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)C(C)C ZINC001496563963 1065564417 /nfs/dbraw/zinc/56/44/17/1065564417.db2.gz AFUQVSIEKRTOTQ-GJZGRUSLSA-N 1 3 315.889 2.344 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1CCCC1 ZINC001569609436 1065620415 /nfs/dbraw/zinc/62/04/15/1065620415.db2.gz FVVNGACTNZGZII-IAGOWNOFSA-N 1 3 309.498 2.413 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001569715733 1065688006 /nfs/dbraw/zinc/68/80/06/1065688006.db2.gz QCYNQOVRKYEKKH-MJGOQNOKSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001569715733 1065688012 /nfs/dbraw/zinc/68/80/12/1065688012.db2.gz QCYNQOVRKYEKKH-MJGOQNOKSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@H]2C1 ZINC001569884339 1065791384 /nfs/dbraw/zinc/79/13/84/1065791384.db2.gz QUJRBWOSJSCBDA-KSZLIROESA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@H]2C1 ZINC001569884339 1065791396 /nfs/dbraw/zinc/79/13/96/1065791396.db2.gz QUJRBWOSJSCBDA-KSZLIROESA-N 1 3 319.493 2.217 20 30 DEEDHO C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CN(C)CC(C)(C)C ZINC001498487423 1066740017 /nfs/dbraw/zinc/74/00/17/1066740017.db2.gz GHZLBVZGOYYHDQ-SJORKVTESA-N 1 3 321.509 2.252 20 30 DEEDHO C=CCN(C)CCN(CC)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001634640330 1078434130 /nfs/dbraw/zinc/43/41/30/1078434130.db2.gz BJFFGRWKZKYJMT-KRWDZBQOSA-N 1 3 309.498 2.463 20 30 DEEDHO C#CCCN1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267460462 1078869292 /nfs/dbraw/zinc/86/92/92/1078869292.db2.gz VUMJCVACXNNPBI-ZWKOTPCHSA-N 1 3 319.493 2.195 20 30 DEEDHO C#CCCN1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001267460462 1078869299 /nfs/dbraw/zinc/86/92/99/1078869299.db2.gz VUMJCVACXNNPBI-ZWKOTPCHSA-N 1 3 319.493 2.195 20 30 DEEDHO C=CCN1CCC[C@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001484163059 1079338037 /nfs/dbraw/zinc/33/80/37/1079338037.db2.gz GQYIJGOZJNWZCQ-GOSISDBHSA-N 1 3 319.493 2.267 20 30 DEEDHO C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001267703647 1079392334 /nfs/dbraw/zinc/39/23/34/1079392334.db2.gz SOGNSBDRJHNOBP-DLBZAZTESA-N 1 3 309.498 2.319 20 30 DEEDHO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001267703647 1079392339 /nfs/dbraw/zinc/39/23/39/1079392339.db2.gz SOGNSBDRJHNOBP-DLBZAZTESA-N 1 3 309.498 2.319 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001566854944 1075362678 /nfs/dbraw/zinc/36/26/78/1075362678.db2.gz QZZALGPULDWPPX-BBWFWOEESA-N 1 3 307.482 2.452 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001566963810 1075402016 /nfs/dbraw/zinc/40/20/16/1075402016.db2.gz ZRMBBFDQVYTCMD-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001566963810 1075402020 /nfs/dbraw/zinc/40/20/20/1075402020.db2.gz ZRMBBFDQVYTCMD-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001566967569 1075403043 /nfs/dbraw/zinc/40/30/43/1075403043.db2.gz PTNVUPMFAQJLIB-ZFWWWQNUSA-N 1 3 304.438 2.053 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001566967569 1075403048 /nfs/dbraw/zinc/40/30/48/1075403048.db2.gz PTNVUPMFAQJLIB-ZFWWWQNUSA-N 1 3 304.438 2.053 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)Cc1nc[nH]c1C ZINC001567266366 1075481805 /nfs/dbraw/zinc/48/18/05/1075481805.db2.gz LBXSDWWPYPKJEZ-OAHLLOKOSA-N 1 3 304.438 2.198 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1nc[nH]c1C ZINC001567266366 1075481809 /nfs/dbraw/zinc/48/18/09/1075481809.db2.gz LBXSDWWPYPKJEZ-OAHLLOKOSA-N 1 3 304.438 2.198 20 30 DEEDHO C#CCCN1CC[C@@H](N(CC)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001267790526 1079497985 /nfs/dbraw/zinc/49/79/85/1079497985.db2.gz QDUAUIMXBVBAFK-GOSISDBHSA-N 1 3 319.493 2.199 20 30 DEEDHO CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001484396741 1079584880 /nfs/dbraw/zinc/58/48/80/1079584880.db2.gz NKGCXBZITGBRJD-KZNAEPCWSA-N 1 3 321.509 2.108 20 30 DEEDHO C#CC[NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CCCC1 ZINC001268041711 1079910271 /nfs/dbraw/zinc/91/02/71/1079910271.db2.gz CBWDDJVBZHCZNQ-UHFFFAOYSA-N 1 3 313.445 2.014 20 30 DEEDHO C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)CN1CCC(C)CC1 ZINC001268252118 1080232762 /nfs/dbraw/zinc/23/27/62/1080232762.db2.gz PAEOEHLOBYMGRG-QGZVFWFLSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)CN1CCC(C)CC1 ZINC001268252118 1080232771 /nfs/dbraw/zinc/23/27/71/1080232771.db2.gz PAEOEHLOBYMGRG-QGZVFWFLSA-N 1 3 309.498 2.463 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001661788137 1080523615 /nfs/dbraw/zinc/52/36/15/1080523615.db2.gz JZCMHWHIDGTKSN-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001107030588 1080540233 /nfs/dbraw/zinc/54/02/33/1080540233.db2.gz NGNUEHDIGOIRCI-CRAIPNDOSA-N 1 3 315.461 2.232 20 30 DEEDHO C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481976102 1080663030 /nfs/dbraw/zinc/66/30/30/1080663030.db2.gz DRNLHLGKEZOLPE-IRXDYDNUSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481976103 1080663305 /nfs/dbraw/zinc/66/33/05/1080663305.db2.gz DRNLHLGKEZOLPE-SJORKVTESA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001268947458 1081059893 /nfs/dbraw/zinc/05/98/93/1081059893.db2.gz PTWLHFGZFMDYGG-IKGGRYGDSA-N 1 3 305.466 2.112 20 30 DEEDHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001268947458 1081059900 /nfs/dbraw/zinc/05/99/00/1081059900.db2.gz PTWLHFGZFMDYGG-IKGGRYGDSA-N 1 3 305.466 2.112 20 30 DEEDHO C=C(C)C[NH2+]CCN(CC)C(=O)c1cccc(CN(C)C)c1 ZINC001668652329 1081377324 /nfs/dbraw/zinc/37/73/24/1081377324.db2.gz MDZSDRSKOFXEEU-UHFFFAOYSA-N 1 3 303.450 2.376 20 30 DEEDHO C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001269838808 1081378412 /nfs/dbraw/zinc/37/84/12/1081378412.db2.gz QVHRJOVPDOLEDD-QGZVFWFLSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCN(C(=O)CCCC[NH+](C)C)C1CCN(CC(=C)C)CC1 ZINC001671504130 1081520053 /nfs/dbraw/zinc/52/00/53/1081520053.db2.gz PBIFZUPHHNELNT-UHFFFAOYSA-N 1 3 319.493 2.221 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001674135828 1081844180 /nfs/dbraw/zinc/84/41/80/1081844180.db2.gz SFCKTTNPCRIZSA-CVEARBPZSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001674135828 1081844189 /nfs/dbraw/zinc/84/41/89/1081844189.db2.gz SFCKTTNPCRIZSA-CVEARBPZSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001271783792 1082153110 /nfs/dbraw/zinc/15/31/10/1082153110.db2.gz GKSNRYKKIYEXDR-KRWDZBQOSA-N 1 3 309.498 2.463 20 30 DEEDHO C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001271783792 1082153111 /nfs/dbraw/zinc/15/31/11/1082153111.db2.gz GKSNRYKKIYEXDR-KRWDZBQOSA-N 1 3 309.498 2.463 20 30 DEEDHO C#CCC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1CC ZINC001670586986 1082189436 /nfs/dbraw/zinc/18/94/36/1082189436.db2.gz DHFAOKQVWOCXRM-IRXDYDNUSA-N 1 3 321.509 2.204 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001266893552 1082436203 /nfs/dbraw/zinc/43/62/03/1082436203.db2.gz CMJAZVSCHWTKEQ-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001266893552 1082436208 /nfs/dbraw/zinc/43/62/08/1082436208.db2.gz CMJAZVSCHWTKEQ-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001482678801 1082469777 /nfs/dbraw/zinc/46/97/77/1082469777.db2.gz SWDAZZDTYJWQMH-SJORKVTESA-N 1 3 319.493 2.149 20 30 DEEDHO C=CCN1CC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001281557308 1084088520 /nfs/dbraw/zinc/08/85/20/1084088520.db2.gz OKNFZJMSVOMYBB-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN1CC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001281557308 1084088531 /nfs/dbraw/zinc/08/85/31/1084088531.db2.gz OKNFZJMSVOMYBB-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001235007890 1084269951 /nfs/dbraw/zinc/26/99/51/1084269951.db2.gz RWGWPIGMVLYMQX-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001235007890 1084269964 /nfs/dbraw/zinc/26/99/64/1084269964.db2.gz RWGWPIGMVLYMQX-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCN1CCC ZINC001235007890 1084269976 /nfs/dbraw/zinc/26/99/76/1084269976.db2.gz RWGWPIGMVLYMQX-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCN1CCC ZINC001235007890 1084269986 /nfs/dbraw/zinc/26/99/86/1084269986.db2.gz RWGWPIGMVLYMQX-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCN(C)CCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C(C)C ZINC001486373845 1085246691 /nfs/dbraw/zinc/24/66/91/1085246691.db2.gz FKAASADPTFQZAQ-QGZVFWFLSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCN(C)CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C(C)C ZINC001486373845 1085246698 /nfs/dbraw/zinc/24/66/98/1085246698.db2.gz FKAASADPTFQZAQ-QGZVFWFLSA-N 1 3 309.498 2.463 20 30 DEEDHO C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCCN3CC)C2)C1 ZINC000965933110 1085701197 /nfs/dbraw/zinc/70/11/97/1085701197.db2.gz NSXZLMVNOKZMQG-APUKJBRXSA-N 1 3 319.493 2.454 20 30 DEEDHO C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC000957568684 1088417082 /nfs/dbraw/zinc/41/70/82/1088417082.db2.gz OLCORDRXPXTYAO-QGZVFWFLSA-N 1 3 319.493 2.055 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001095903748 1089085566 /nfs/dbraw/zinc/08/55/66/1089085566.db2.gz KGJLUIYWXATARA-MHORFTMASA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001095903748 1089085581 /nfs/dbraw/zinc/08/55/81/1089085581.db2.gz KGJLUIYWXATARA-MHORFTMASA-N 1 3 319.493 2.406 20 30 DEEDHO C=CC[N@@H+](C)CCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001273559879 1091922852 /nfs/dbraw/zinc/92/28/52/1091922852.db2.gz FODLDYRUQFWQSV-KRWDZBQOSA-N 1 3 313.461 2.165 20 30 DEEDHO C=CC[N@H+](C)CCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001273559879 1091922863 /nfs/dbraw/zinc/92/28/63/1091922863.db2.gz FODLDYRUQFWQSV-KRWDZBQOSA-N 1 3 313.461 2.165 20 30 DEEDHO C=CC[N@H+]1CCC[C@H](N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000948772283 1091927700 /nfs/dbraw/zinc/92/77/00/1091927700.db2.gz VIOKDUNFWVZQIO-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000948772283 1091927705 /nfs/dbraw/zinc/92/77/05/1091927705.db2.gz VIOKDUNFWVZQIO-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO CCCCCCC[C@H](C)[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246624044 1141009003 /nfs/dbraw/zinc/00/90/03/1141009003.db2.gz DGPJHBRVNYLNOR-MAUKXSAKSA-N 1 3 307.482 2.147 20 30 DEEDHO CCCCCCC[C@H](C)[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246624044 1141009013 /nfs/dbraw/zinc/00/90/13/1141009013.db2.gz DGPJHBRVNYLNOR-MAUKXSAKSA-N 1 3 307.482 2.147 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001278662465 1142693580 /nfs/dbraw/zinc/69/35/80/1142693580.db2.gz CCDRLEFEUIRFNF-KRWDZBQOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001278662465 1142693586 /nfs/dbraw/zinc/69/35/86/1142693586.db2.gz CCDRLEFEUIRFNF-KRWDZBQOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C[C@H](O)C[NH+]1CCC2(CC(N(C)Cc3ccncc3)C2)CC1 ZINC001253578134 1142882028 /nfs/dbraw/zinc/88/20/28/1142882028.db2.gz WDISGYMNFSYDOT-SFHVURJKSA-N 1 3 315.461 2.305 20 30 DEEDHO C=CCN1CCC(NC(=O)N[C@H](C)CC[NH+](CC)CC)CC1 ZINC001263298450 1144367023 /nfs/dbraw/zinc/36/70/23/1144367023.db2.gz WYPWPBCHSACOBX-OAHLLOKOSA-N 1 3 310.486 2.056 20 30 DEEDHO C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001263900710 1144421847 /nfs/dbraw/zinc/42/18/47/1144421847.db2.gz QWCMTANGPCFNQB-BBWFWOEESA-N 1 3 307.482 2.310 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)[C@@H]21 ZINC001264032291 1144445718 /nfs/dbraw/zinc/44/57/18/1144445718.db2.gz JRLFSQGINOOWOP-DJIMGWMZSA-N 1 3 307.482 2.118 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)[C@@H]21 ZINC001264032291 1144445721 /nfs/dbraw/zinc/44/57/21/1144445721.db2.gz JRLFSQGINOOWOP-DJIMGWMZSA-N 1 3 307.482 2.118 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001266219129 1144815489 /nfs/dbraw/zinc/81/54/89/1144815489.db2.gz WEFHKVKMOPMVFZ-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001266219129 1144815490 /nfs/dbraw/zinc/81/54/90/1144815490.db2.gz WEFHKVKMOPMVFZ-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)C1(N(C)C)CCC1 ZINC001266219737 1144815779 /nfs/dbraw/zinc/81/57/79/1144815779.db2.gz IYDFDWIPMLGKKM-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)C1(N(C)C)CCC1 ZINC001266219737 1144815780 /nfs/dbraw/zinc/81/57/80/1144815780.db2.gz IYDFDWIPMLGKKM-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO CC#CCN[C@@H](C)c1ccc(CNC(=O)CC[N@@H+](C)CC)cc1 ZINC001280355233 1144836456 /nfs/dbraw/zinc/83/64/56/1144836456.db2.gz ZLKUQQQOJFBJGU-INIZCTEOSA-N 1 3 315.461 2.319 20 30 DEEDHO CC#CCN[C@@H](C)c1ccc(CNC(=O)CC[N@H+](C)CC)cc1 ZINC001280355233 1144836457 /nfs/dbraw/zinc/83/64/57/1144836457.db2.gz ZLKUQQQOJFBJGU-INIZCTEOSA-N 1 3 315.461 2.319 20 30 DEEDHO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001316812479 1147583431 /nfs/dbraw/zinc/58/34/31/1147583431.db2.gz WVRGRFPFWBGEBC-SJORKVTESA-N 1 3 321.509 2.203 20 30 DEEDHO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001316812479 1147583434 /nfs/dbraw/zinc/58/34/34/1147583434.db2.gz WVRGRFPFWBGEBC-SJORKVTESA-N 1 3 321.509 2.203 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001317504199 1147716991 /nfs/dbraw/zinc/71/69/91/1147716991.db2.gz BIJAYLGQCXXELI-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001317504199 1147716993 /nfs/dbraw/zinc/71/69/93/1147716993.db2.gz BIJAYLGQCXXELI-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001324943161 1147860408 /nfs/dbraw/zinc/86/04/08/1147860408.db2.gz DVVWDKBDMIAENX-KRWDZBQOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001324943161 1147860409 /nfs/dbraw/zinc/86/04/09/1147860409.db2.gz DVVWDKBDMIAENX-KRWDZBQOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[NH2+]CC[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001326399180 1148092514 /nfs/dbraw/zinc/09/25/14/1148092514.db2.gz XFXZOGZOFMEXKZ-KRWDZBQOSA-N 1 3 307.482 2.123 20 30 DEEDHO N#CCCC[C@H](N)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001326766706 1148238381 /nfs/dbraw/zinc/23/83/81/1148238381.db2.gz JANFYLCDDSUMHI-INIZCTEOSA-N 1 3 300.406 2.242 20 30 DEEDHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(C#N)c1 ZINC000181467897 199301828 /nfs/dbraw/zinc/30/18/28/199301828.db2.gz CGWZPUWBWPPHLS-OAHLLOKOSA-N 1 3 300.450 2.235 20 30 DEEDHO C#CCN1CCC(C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000076158290 355131249 /nfs/dbraw/zinc/13/12/49/355131249.db2.gz NBQMBZWDBHHTPR-UHFFFAOYSA-N 1 3 313.445 2.074 20 30 DEEDHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCc4ccc(C#N)cc43)C2)CC1 ZINC000589341640 357465983 /nfs/dbraw/zinc/46/59/83/357465983.db2.gz CBXBJHRGDOCDAZ-FXAWDEMLSA-N 1 3 324.472 2.304 20 30 DEEDHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593322333 358054500 /nfs/dbraw/zinc/05/45/00/358054500.db2.gz MDVBLVIKIVAQJV-BEFAXECRSA-N 1 3 312.461 2.110 20 30 DEEDHO C[C@H](CCC#N)C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000602595872 360449087 /nfs/dbraw/zinc/44/90/87/360449087.db2.gz FKKASSPWPJQINC-QAPCUYQASA-N 1 3 301.434 2.283 20 30 DEEDHO C[N@H+](CCN1CCN(CCCCC#N)CC1)Cc1ccccc1 ZINC000066534555 402135730 /nfs/dbraw/zinc/13/57/30/402135730.db2.gz PSXWGYPUXHVSQB-UHFFFAOYSA-N 1 3 314.477 2.430 20 30 DEEDHO C[N@@H+](CCN1CCN(CCCCC#N)CC1)Cc1ccccc1 ZINC000066534555 402135732 /nfs/dbraw/zinc/13/57/32/402135732.db2.gz PSXWGYPUXHVSQB-UHFFFAOYSA-N 1 3 314.477 2.430 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nc(C(C)C)cs1 ZINC000123694674 402141809 /nfs/dbraw/zinc/14/18/09/402141809.db2.gz OHBQFFHKRZXVLT-LBPRGKRZSA-N 1 3 309.483 2.155 20 30 DEEDHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1ccc(C#N)cc1 ZINC000344145295 403937187 /nfs/dbraw/zinc/93/71/87/403937187.db2.gz OXBKDPQRGWXJCJ-UHFFFAOYSA-N 1 3 314.477 2.408 20 30 DEEDHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1ccc(C#N)cc1 ZINC000344145295 403937195 /nfs/dbraw/zinc/93/71/95/403937195.db2.gz OXBKDPQRGWXJCJ-UHFFFAOYSA-N 1 3 314.477 2.408 20 30 DEEDHO C=CCN1CCC(NC(=O)NCCC[NH2+]C2CCCCC2)CC1 ZINC000358833162 404777267 /nfs/dbraw/zinc/77/72/67/404777267.db2.gz SOCAMQXNJBOMRZ-UHFFFAOYSA-N 1 3 322.497 2.248 20 30 DEEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](C)NC[C@@H]1C)C(C)C ZINC000417072277 405026989 /nfs/dbraw/zinc/02/69/89/405026989.db2.gz XEDYXCFWSJMDJG-IXDOHACOSA-N 1 3 322.497 2.077 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457541526 405889682 /nfs/dbraw/zinc/88/96/82/405889682.db2.gz KRWLBJXROOTPKV-UHFFFAOYSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCN1CCC(NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000577045568 406834980 /nfs/dbraw/zinc/83/49/80/406834980.db2.gz WWPWILHDFKFDEE-UHFFFAOYSA-N 1 3 314.433 2.104 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000653110661 425407234 /nfs/dbraw/zinc/40/72/34/425407234.db2.gz PZMRQDIWECJCIR-IAGOWNOFSA-N 1 3 307.482 2.191 20 30 DEEDHO N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCC[NH2+]CC3)C2)c(F)c1 ZINC000583078909 337236669 /nfs/dbraw/zinc/23/66/69/337236669.db2.gz ZGRZJDIYZVDLOS-CVEARBPZSA-N 1 3 316.424 2.398 20 30 DEEDHO C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)[C@H]1CCCN1C)C(C)C ZINC001378378337 1152309844 /nfs/dbraw/zinc/30/98/44/1152309844.db2.gz HVXXWDMTFGSBJP-HUUCEWRRSA-N 1 3 315.889 2.296 20 30 DEEDHO C[NH+]=C(NCC(C)(C)N1CCC[C@H](C)C1)N(C)Cc1ccon1 ZINC000261795149 526349038 /nfs/dbraw/zinc/34/90/38/526349038.db2.gz QWEZRAZGWFXGTM-AWEZNQCLSA-N 1 3 321.469 2.192 20 30 DEEDHO C=CC[C@@H](CC)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000341425638 527039110 /nfs/dbraw/zinc/03/91/10/527039110.db2.gz BAQKNQDGSAMHIQ-SJORKVTESA-N 1 3 324.513 2.399 20 30 DEEDHO C=CC[C@@H](CC)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000341425638 527039112 /nfs/dbraw/zinc/03/91/12/527039112.db2.gz BAQKNQDGSAMHIQ-SJORKVTESA-N 1 3 324.513 2.399 20 30 DEEDHO C=CC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000248481381 527210524 /nfs/dbraw/zinc/21/05/24/527210524.db2.gz BEHRQUXHXZLWQE-NCXUSEDFSA-N 1 3 300.446 2.424 20 30 DEEDHO C=CC[C@H](CO)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248481383 527211180 /nfs/dbraw/zinc/21/11/80/527211180.db2.gz BEHRQUXHXZLWQE-WJFTUGDTSA-N 1 3 300.446 2.424 20 30 DEEDHO C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001368730519 1148622082 /nfs/dbraw/zinc/62/20/82/1148622082.db2.gz IRRKTJAIZFZFDX-LSDHHAIUSA-N 1 3 315.889 2.345 20 30 DEEDHO C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001368730519 1148622087 /nfs/dbraw/zinc/62/20/87/1148622087.db2.gz IRRKTJAIZFZFDX-LSDHHAIUSA-N 1 3 315.889 2.345 20 30 DEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000970319074 623400635 /nfs/dbraw/zinc/40/06/35/623400635.db2.gz RBKLFILCNGYYEQ-CVEARBPZSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000970319074 623400638 /nfs/dbraw/zinc/40/06/38/623400638.db2.gz RBKLFILCNGYYEQ-CVEARBPZSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CN1CC([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000970928085 623797155 /nfs/dbraw/zinc/79/71/55/623797155.db2.gz IQVXARUWMOHUJU-HNNXBMFYSA-N 1 3 315.461 2.374 20 30 DEEDHO C[NH+]1CCC(CN2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000891495597 624215336 /nfs/dbraw/zinc/21/53/36/624215336.db2.gz QLZYXDLHLTVIDP-UHFFFAOYSA-N 1 3 312.461 2.018 20 30 DEEDHO C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000972340379 624935133 /nfs/dbraw/zinc/93/51/33/624935133.db2.gz RWROXHGIVYSATI-GOSISDBHSA-N 1 3 315.461 2.123 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2CCC)CC1(C)C ZINC000995870575 633132356 /nfs/dbraw/zinc/13/23/56/633132356.db2.gz JCJBMSSRQJJZIG-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC000997079969 633567902 /nfs/dbraw/zinc/56/79/02/633567902.db2.gz URCXDKVPMMRKHL-NVXWUHKLSA-N 1 3 307.482 2.262 20 30 DEEDHO CC#CCN1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000997120120 633602257 /nfs/dbraw/zinc/60/22/57/633602257.db2.gz MQDVKBLJFXHZKJ-SJLPKXTDSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000997120120 633602267 /nfs/dbraw/zinc/60/22/67/633602267.db2.gz MQDVKBLJFXHZKJ-SJLPKXTDSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000997333401 633702622 /nfs/dbraw/zinc/70/26/22/633702622.db2.gz LOHZFNHCJYGFQB-AEFFLSMTSA-N 1 3 319.493 2.099 20 30 DEEDHO C#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000997333401 633702624 /nfs/dbraw/zinc/70/26/24/633702624.db2.gz LOHZFNHCJYGFQB-AEFFLSMTSA-N 1 3 319.493 2.099 20 30 DEEDHO C#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000997333401 633702632 /nfs/dbraw/zinc/70/26/32/633702632.db2.gz LOHZFNHCJYGFQB-AEFFLSMTSA-N 1 3 319.493 2.099 20 30 DEEDHO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001027411320 633750164 /nfs/dbraw/zinc/75/01/64/633750164.db2.gz OZAFDFLQLLEQLE-INIZCTEOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001027411320 633750166 /nfs/dbraw/zinc/75/01/66/633750166.db2.gz OZAFDFLQLLEQLE-INIZCTEOSA-N 1 3 307.482 2.360 20 30 DEEDHO C#CCN(C)[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001027469632 633841660 /nfs/dbraw/zinc/84/16/60/633841660.db2.gz GYVULKSZADQFCY-QGZVFWFLSA-N 1 3 319.493 2.195 20 30 DEEDHO C#CCN(C)[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001027469632 633841665 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C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039116966 691023906 /nfs/dbraw/zinc/02/39/06/691023906.db2.gz UWCCTKSKPBMUAS-MSOLQXFVSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039116966 691023908 /nfs/dbraw/zinc/02/39/08/691023908.db2.gz UWCCTKSKPBMUAS-MSOLQXFVSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040395887 691242469 /nfs/dbraw/zinc/24/24/69/691242469.db2.gz RCFWFNRYSRUTHN-IEBWSBKVSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040395887 691242472 /nfs/dbraw/zinc/24/24/72/691242472.db2.gz RCFWFNRYSRUTHN-IEBWSBKVSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)CN1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046561661 692224218 /nfs/dbraw/zinc/22/42/18/692224218.db2.gz JAOBVZDQFAIFNJ-FUHWJXTLSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CN1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001046561661 692224222 /nfs/dbraw/zinc/22/42/22/692224222.db2.gz JAOBVZDQFAIFNJ-FUHWJXTLSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001048527816 692640489 /nfs/dbraw/zinc/64/04/89/692640489.db2.gz WEWSXIBDLLZJSF-MHORFTMASA-N 1 3 319.493 2.404 20 30 DEEDHO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001048527816 692640491 /nfs/dbraw/zinc/64/04/91/692640491.db2.gz WEWSXIBDLLZJSF-MHORFTMASA-N 1 3 319.493 2.404 20 30 DEEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049545797 692917623 /nfs/dbraw/zinc/91/76/23/692917623.db2.gz MVEBFTRDMAIPNF-IAGOWNOFSA-N 1 3 317.477 2.114 20 30 DEEDHO C=C(C)CC[NH+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001050544253 693204461 /nfs/dbraw/zinc/20/44/61/693204461.db2.gz PNEHDPNMOITOHM-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001050554040 693205822 /nfs/dbraw/zinc/20/58/22/693205822.db2.gz NSAHAUYDYINOBX-INIZCTEOSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001052425937 693532104 /nfs/dbraw/zinc/53/21/04/693532104.db2.gz HQQXFGGEJJQSHF-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001052425937 693532108 /nfs/dbraw/zinc/53/21/08/693532108.db2.gz HQQXFGGEJJQSHF-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(Cl)C[NH2+][C@H](CCNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001381994923 1153309400 /nfs/dbraw/zinc/30/94/00/1153309400.db2.gz HAEWHGQAWYDDOR-CQSZACIVSA-N 1 3 315.889 2.344 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001403271843 1162833427 /nfs/dbraw/zinc/83/34/27/1162833427.db2.gz WMXRZYFVWCYUAT-HUUCEWRRSA-N 1 3 313.873 2.051 20 30 DEEDHO C=C(Cl)C[NH2+][C@H](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001420129175 1169181505 /nfs/dbraw/zinc/18/15/05/1169181505.db2.gz FORHWARMBKRWTN-CYBMUJFWSA-N 1 3 303.878 2.201 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001446588252 1184431475 /nfs/dbraw/zinc/43/14/75/1184431475.db2.gz XEFVEALFAWTNQA-HNNXBMFYSA-N 1 3 313.873 2.051 20 30 DEEDHO C=CCN1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001332221220 1149837473 /nfs/dbraw/zinc/83/74/73/1149837473.db2.gz WZZYUCNBWYAKJT-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001099225190 782701832 /nfs/dbraw/zinc/70/18/32/782701832.db2.gz OALOJFDSRKUSCM-IAGOWNOFSA-N 1 3 321.509 2.203 20 30 DEEDHO C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001099225190 782701842 /nfs/dbraw/zinc/70/18/42/782701842.db2.gz OALOJFDSRKUSCM-IAGOWNOFSA-N 1 3 321.509 2.203 20 30 DEEDHO C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001104691775 778025901 /nfs/dbraw/zinc/02/59/01/778025901.db2.gz VIKWOCKDLPNICW-ZACQAIPSSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)CC[N@H+]1CCC2(CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001073454389 790665690 /nfs/dbraw/zinc/66/56/90/790665690.db2.gz LMBOESUBOCKEGU-IRXDYDNUSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001073454389 790665694 /nfs/dbraw/zinc/66/56/94/790665694.db2.gz LMBOESUBOCKEGU-IRXDYDNUSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]2C1 ZINC001088150851 779730555 /nfs/dbraw/zinc/73/05/55/779730555.db2.gz ZZBGIZDZKUCPOZ-MSOLQXFVSA-N 1 3 319.493 2.075 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]2C1 ZINC001088150851 779730563 /nfs/dbraw/zinc/73/05/63/779730563.db2.gz ZZBGIZDZKUCPOZ-MSOLQXFVSA-N 1 3 319.493 2.075 20 30 DEEDHO C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCN2CCC)C1 ZINC001088323398 779951934 /nfs/dbraw/zinc/95/19/34/779951934.db2.gz NDIWDDHPTYCXGA-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)CN(C)C2CCC2)C1 ZINC001088327232 779959170 /nfs/dbraw/zinc/95/91/70/779959170.db2.gz IKPYCKULHOTTSY-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001088381247 780050113 /nfs/dbraw/zinc/05/01/13/780050113.db2.gz AIWNVOFMUISSMU-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001089690055 783355120 /nfs/dbraw/zinc/35/51/20/783355120.db2.gz KOAMPAHOKBQOFX-MRXNPFEDSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001085319945 783638959 /nfs/dbraw/zinc/63/89/59/783638959.db2.gz XCCZELVWNFKAEO-HUUCEWRRSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001085629052 783905347 /nfs/dbraw/zinc/90/53/47/783905347.db2.gz KRVKCCNSHSYSKC-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001085629052 783905349 /nfs/dbraw/zinc/90/53/49/783905349.db2.gz KRVKCCNSHSYSKC-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCN1CCC ZINC001085629052 783905353 /nfs/dbraw/zinc/90/53/53/783905353.db2.gz KRVKCCNSHSYSKC-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCN1CCC ZINC001085629052 783905355 /nfs/dbraw/zinc/90/53/55/783905355.db2.gz KRVKCCNSHSYSKC-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC001114922257 784491799 /nfs/dbraw/zinc/49/17/99/784491799.db2.gz VVZGGZONONJEKM-XWTMOSNGSA-N 1 3 319.493 2.262 20 30 DEEDHO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC001114922257 784491805 /nfs/dbraw/zinc/49/18/05/784491805.db2.gz VVZGGZONONJEKM-XWTMOSNGSA-N 1 3 319.493 2.262 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001086277979 784540249 /nfs/dbraw/zinc/54/02/49/784540249.db2.gz BXKCPUYGVGSTGI-ZNMIVQPWSA-N 1 3 313.873 2.098 20 30 DEEDHO C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCN1CCC ZINC000968882751 784635811 /nfs/dbraw/zinc/63/58/11/784635811.db2.gz TYSOAXHPPYNLHO-ZWKOTPCHSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCN1CCC ZINC000968882751 784635820 /nfs/dbraw/zinc/63/58/20/784635820.db2.gz TYSOAXHPPYNLHO-ZWKOTPCHSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CCN1CCCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968933958 784658012 /nfs/dbraw/zinc/65/80/12/784658012.db2.gz ISCZOVMDLOMXOO-INIZCTEOSA-N 1 3 305.466 2.162 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108832792 785559236 /nfs/dbraw/zinc/55/92/36/785559236.db2.gz YGTIZTOAXRHTSO-ULQDDVLXSA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001134608680 789003372 /nfs/dbraw/zinc/00/33/72/789003372.db2.gz YZJVZLQLCMQWBL-OLZOCXBDSA-N 1 3 301.862 2.096 20 30 DEEDHO C=CC[N@H+]1C[C@@H](NC(=O)c2occc2CN(C)C)CC[C@@H]1C ZINC001071776546 789914445 /nfs/dbraw/zinc/91/44/45/789914445.db2.gz VEUKKCVAGAPJJP-ZFWWWQNUSA-N 1 3 305.422 2.110 20 30 DEEDHO C=CC[N@@H+]1C[C@@H](NC(=O)c2occc2CN(C)C)CC[C@@H]1C ZINC001071776546 789914450 /nfs/dbraw/zinc/91/44/50/789914450.db2.gz VEUKKCVAGAPJJP-ZFWWWQNUSA-N 1 3 305.422 2.110 20 30 DEEDHO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146584702 791309432 /nfs/dbraw/zinc/30/94/32/791309432.db2.gz UNEGBMSFFITSNI-HZPDHXFCSA-N 1 3 315.461 2.258 20 30 DEEDHO C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001100320853 792589805 /nfs/dbraw/zinc/58/98/05/792589805.db2.gz VRWNMNQBHCTJBZ-JCYILVPMSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001101268481 793090286 /nfs/dbraw/zinc/09/02/86/793090286.db2.gz CVIQLVUPERHLEY-APWZRJJASA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001101268481 793090296 /nfs/dbraw/zinc/09/02/96/793090296.db2.gz CVIQLVUPERHLEY-APWZRJJASA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368774 793135384 /nfs/dbraw/zinc/13/53/84/793135384.db2.gz MQJPKIZVFQFUKN-APWZRJJASA-N 1 3 321.509 2.321 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368774 793135389 /nfs/dbraw/zinc/13/53/89/793135389.db2.gz MQJPKIZVFQFUKN-APWZRJJASA-N 1 3 321.509 2.321 20 30 DEEDHO C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001101579842 793244621 /nfs/dbraw/zinc/24/46/21/793244621.db2.gz YRBDSGKDOZULEJ-UHFFFAOYSA-N 1 3 318.465 2.383 20 30 DEEDHO CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)CN(CC)CC)CC1 ZINC001101583466 793246379 /nfs/dbraw/zinc/24/63/79/793246379.db2.gz ZMGWPRCDPIQUDL-UHFFFAOYSA-N 1 3 321.509 2.206 20 30 DEEDHO C=CC[NH2+]CC(C)(C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001101594822 793256734 /nfs/dbraw/zinc/25/67/34/793256734.db2.gz QPNXUHPCZYQKIQ-UHFFFAOYSA-N 1 3 307.482 2.123 20 30 DEEDHO C#CCC[NH2+]CCCC[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001175273780 794165399 /nfs/dbraw/zinc/16/53/99/794165399.db2.gz WCACFFNHGBVIAA-INIZCTEOSA-N 1 3 307.482 2.006 20 30 DEEDHO C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001175573944 794244875 /nfs/dbraw/zinc/24/48/75/794244875.db2.gz RPSUSQCUGYEMLS-IAGOWNOFSA-N 1 3 307.482 2.147 20 30 DEEDHO C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001176754482 794497581 /nfs/dbraw/zinc/49/75/81/794497581.db2.gz WQIOIUPOLQIELC-CQSZACIVSA-N 1 3 303.878 2.344 20 30 DEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CCCC(C)(C)C)CC1 ZINC001176926420 794529861 /nfs/dbraw/zinc/52/98/61/794529861.db2.gz LOCNHUIBTAQXNK-UHFFFAOYSA-N 1 3 321.509 2.254 20 30 DEEDHO CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CN(C)CCC ZINC001177469149 794672757 /nfs/dbraw/zinc/67/27/57/794672757.db2.gz XADLKFKHWDHLFA-UHFFFAOYSA-N 1 3 321.509 2.350 20 30 DEEDHO C=CCCC[C@H](N)C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC001121923318 795704991 /nfs/dbraw/zinc/70/49/91/795704991.db2.gz XMKZMSRALVNKDO-HNNXBMFYSA-N 1 3 319.453 2.080 20 30 DEEDHO C=CCC[NH2+]C1CC2(CC(NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001122231046 795738479 /nfs/dbraw/zinc/73/84/79/795738479.db2.gz BWLTYGGVVJNVQQ-WLOQGADPSA-N 1 3 319.493 2.452 20 30 DEEDHO C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001183516903 795878983 /nfs/dbraw/zinc/87/89/83/795878983.db2.gz DTNIFMPSFPKPJP-SOLBZPMBSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)N(C)CC)C[C@@H]1C ZINC001184714297 796109523 /nfs/dbraw/zinc/10/95/23/796109523.db2.gz WWJHQWRCDWIMCB-JKSUJKDBSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CN(CC)CC)C[C@@H]1C ZINC001185348489 796235878 /nfs/dbraw/zinc/23/58/78/796235878.db2.gz QAUBENFMIVLOPF-ZFWWWQNUSA-N 1 3 315.889 2.155 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CN(CC)CC)C[C@H]1C ZINC001185361472 796238898 /nfs/dbraw/zinc/23/88/98/796238898.db2.gz YYAZKHDUAWQDIG-SJORKVTESA-N 1 3 309.498 2.369 20 30 DEEDHO C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675778 797055064 /nfs/dbraw/zinc/05/50/64/797055064.db2.gz WSPWGVCUEJVNEF-WBVHZDCISA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675778 797055075 /nfs/dbraw/zinc/05/50/75/797055075.db2.gz WSPWGVCUEJVNEF-WBVHZDCISA-N 1 3 307.482 2.358 20 30 DEEDHO C=CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccccc1CN(C)C ZINC001157138377 798148967 /nfs/dbraw/zinc/14/89/67/798148967.db2.gz YCVRBNCQWOOQED-OAHLLOKOSA-N 1 3 303.450 2.374 20 30 DEEDHO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1CN(C)C ZINC001157138377 798148970 /nfs/dbraw/zinc/14/89/70/798148970.db2.gz YCVRBNCQWOOQED-OAHLLOKOSA-N 1 3 303.450 2.374 20 30 DEEDHO C=C(C)C[N@H+]1CC=C(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001161214250 798811866 /nfs/dbraw/zinc/81/18/66/798811866.db2.gz WBKBBCYCHLODMG-INIZCTEOSA-N 1 3 305.466 2.043 20 30 DEEDHO C=C(C)C[N@@H+]1CC=C(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001161214250 798811870 /nfs/dbraw/zinc/81/18/70/798811870.db2.gz WBKBBCYCHLODMG-INIZCTEOSA-N 1 3 305.466 2.043 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001202495565 798980279 /nfs/dbraw/zinc/98/02/79/798980279.db2.gz GKBLLKQDDOHUFY-HZPDHXFCSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001095606028 799669764 /nfs/dbraw/zinc/66/97/64/799669764.db2.gz ORKJXCMTSZBBFY-IKGGRYGDSA-N 1 3 317.477 2.160 20 30 DEEDHO CC#CC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203427025 800046044 /nfs/dbraw/zinc/04/60/44/800046044.db2.gz SDMPQNXLRDACMP-CVEARBPZSA-N 1 3 319.493 2.005 20 30 DEEDHO C=CCCCN1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001209160901 801140297 /nfs/dbraw/zinc/14/02/97/801140297.db2.gz DDEJASDLBRLPNO-UHFFFAOYSA-N 1 3 306.454 2.133 20 30 DEEDHO C[Si](C)(C)C#Cc1cccc(NC(=O)[C@@H](N)CCCC[NH3+])c1 ZINC001219310479 802309652 /nfs/dbraw/zinc/30/96/52/802309652.db2.gz GAGBYJUKIYGRKQ-INIZCTEOSA-N 1 3 317.509 2.310 20 30 DEEDHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001234265707 802337947 /nfs/dbraw/zinc/33/79/47/802337947.db2.gz KYYUBBWSWZHPPQ-DLBZAZTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001234265707 802337955 /nfs/dbraw/zinc/33/79/55/802337955.db2.gz KYYUBBWSWZHPPQ-DLBZAZTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCN1C(C)C ZINC001234265707 802337962 /nfs/dbraw/zinc/33/79/62/802337962.db2.gz KYYUBBWSWZHPPQ-DLBZAZTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCN1C(C)C ZINC001234265707 802337968 /nfs/dbraw/zinc/33/79/68/802337968.db2.gz KYYUBBWSWZHPPQ-DLBZAZTESA-N 1 3 307.482 2.358 20 30 DEEDHO CCCC(C[NH3+])(CCC)NC(=O)C[C@@H](N)c1ccc(C#N)cc1 ZINC001221373235 802560615 /nfs/dbraw/zinc/56/06/15/802560615.db2.gz GGZKHEFRYOMRSL-MRXNPFEDSA-N 1 3 316.449 2.362 20 30 DEEDHO CCCCCCCCC[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222521340 802700434 /nfs/dbraw/zinc/70/04/34/802700434.db2.gz QTUGZHXFKTXZTG-SFHVURJKSA-N 1 3 307.482 2.149 20 30 DEEDHO CCCCCCCCC[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222521340 802700438 /nfs/dbraw/zinc/70/04/38/802700438.db2.gz QTUGZHXFKTXZTG-SFHVURJKSA-N 1 3 307.482 2.149 20 30 DEEDHO CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001500495400 1058853651 /nfs/dbraw/zinc/85/36/51/1058853651.db2.gz DKUMMLQNWNMXON-HKUYNNGSSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001500495400 1058853670 /nfs/dbraw/zinc/85/36/70/1058853670.db2.gz DKUMMLQNWNMXON-HKUYNNGSSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CCC(C(=O)NCC2([NH2+]C[C@@H](C)CC)CCC2)CC1 ZINC001502029428 1059883683 /nfs/dbraw/zinc/88/36/83/1059883683.db2.gz XQBVXJQMZPMXMK-INIZCTEOSA-N 1 3 319.493 2.006 20 30 DEEDHO CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001505837157 1061020049 /nfs/dbraw/zinc/02/00/49/1061020049.db2.gz PKVSYMHYIXJZMC-KRWDZBQOSA-N 1 3 321.509 2.347 20 30 DEEDHO C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001480098250 1062324442 /nfs/dbraw/zinc/32/44/42/1062324442.db2.gz NFZHUDHMBNLJNJ-XLAORIBOSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001480098250 1062324461 /nfs/dbraw/zinc/32/44/61/1062324461.db2.gz NFZHUDHMBNLJNJ-XLAORIBOSA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001480267805 1062572482 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CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001568393632 1064832701 /nfs/dbraw/zinc/83/27/01/1064832701.db2.gz PDDMXWHVMODACV-QGZVFWFLSA-N 1 3 321.509 2.348 20 30 DEEDHO C#CCC[N@H+](CC1CC1)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001499530689 1067248810 /nfs/dbraw/zinc/24/88/10/1067248810.db2.gz WPIDQUDFYYDDRO-UHFFFAOYSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001499530689 1067248813 /nfs/dbraw/zinc/24/88/13/1067248813.db2.gz WPIDQUDFYYDDRO-UHFFFAOYSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001499835748 1067353218 /nfs/dbraw/zinc/35/32/18/1067353218.db2.gz PEFNDWCADDURPH-HOTGVXAUSA-N 1 3 307.482 2.406 20 30 DEEDHO N#Cc1cc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1F ZINC001580062417 1067486080 /nfs/dbraw/zinc/48/60/80/1067486080.db2.gz YLPLEAJMFFODOR-LESCRADOSA-N 1 3 317.408 2.416 20 30 DEEDHO C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC)N(CC)CC)CCC[C@@H]12 ZINC001571503706 1068362205 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DEEDHO C#CCCN1CC[C@@H](N(CCC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001267550814 1078982434 /nfs/dbraw/zinc/98/24/34/1078982434.db2.gz ZWDCAKQTCSRJIT-GOSISDBHSA-N 1 3 319.493 2.199 20 30 DEEDHO CC#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001483800909 1079129584 /nfs/dbraw/zinc/12/95/84/1079129584.db2.gz FDXRHJNKDABBBF-ZWKOTPCHSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001483800909 1079129594 /nfs/dbraw/zinc/12/95/94/1079129594.db2.gz FDXRHJNKDABBBF-ZWKOTPCHSA-N 1 3 319.493 2.055 20 30 DEEDHO CCCCCCCCCC[C@H](O)CN1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246023377 1091689825 /nfs/dbraw/zinc/68/98/25/1091689825.db2.gz RKGBOWZFMYMUKH-YESZJQIVSA-N 1 3 300.487 2.130 20 30 DEEDHO C#CCC[NH+]1CCC(C)(CNC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001484147726 1079324239 /nfs/dbraw/zinc/32/42/39/1079324239.db2.gz XCAIBQHCRJSJED-IAGOWNOFSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)N(CC[NH3+])Cc1cccc(Cl)c1 ZINC001649985075 1079338937 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319.493 2.102 20 30 DEEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001566927420 1075388929 /nfs/dbraw/zinc/38/89/29/1075388929.db2.gz QJUSVXPRFIIANS-KRWDZBQOSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCC[NH2+]C[C@](C)(NC(=O)[C@@H](C)N1CCCCCC1)C1CC1 ZINC001267861051 1079547845 /nfs/dbraw/zinc/54/78/45/1079547845.db2.gz VXQUIRABXPZYCI-APWZRJJASA-N 1 3 319.493 2.149 20 30 DEEDHO C#CCC[NH2+]C[C@@](C)(NC(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC001267861053 1079548426 /nfs/dbraw/zinc/54/84/26/1079548426.db2.gz VXQUIRABXPZYCI-QFBILLFUSA-N 1 3 319.493 2.149 20 30 DEEDHO C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCN1C(C)C ZINC001268106512 1080078007 /nfs/dbraw/zinc/07/80/07/1080078007.db2.gz UTFBLYFOHFZLEF-DLBZAZTESA-N 1 3 307.482 2.003 20 30 DEEDHO CN(CCC#N)c1ccc(CN[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC001658778258 1080218882 /nfs/dbraw/zinc/21/88/82/1080218882.db2.gz UUQKHGOPTQDWIG-QXAKKESOSA-N 1 3 312.461 2.466 20 30 DEEDHO CN(CCC#N)c1ccc(CN[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC001658778258 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321.509 2.463 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)C(C)C)C[C@@]2(C)C1 ZINC001485670067 1080357993 /nfs/dbraw/zinc/35/79/93/1080357993.db2.gz NPBMPJBKFBCROY-KDURUIRLSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001661555420 1080493349 /nfs/dbraw/zinc/49/33/49/1080493349.db2.gz MGWZLSDDLLARGW-RDJZCZTQSA-N 1 3 316.449 2.231 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001661555420 1080493353 /nfs/dbraw/zinc/49/33/53/1080493353.db2.gz MGWZLSDDLLARGW-RDJZCZTQSA-N 1 3 316.449 2.231 20 30 DEEDHO C#CCC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001661782944 1080523261 /nfs/dbraw/zinc/52/32/61/1080523261.db2.gz KCMBAFLNJBFCIN-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001107036654 1080551894 /nfs/dbraw/zinc/55/18/94/1080551894.db2.gz OMTHKLCVRORWSR-BRWVUGGUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)CN2CC[C@@H](C)C2)C1 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1083393844 /nfs/dbraw/zinc/39/38/44/1083393844.db2.gz MITFZMPZSRPYTM-SJLPKXTDSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436724 1083393847 /nfs/dbraw/zinc/39/38/47/1083393847.db2.gz MITFZMPZSRPYTM-SJLPKXTDSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)N(C)C)CCC[C@@H]12 ZINC001107451152 1083406043 /nfs/dbraw/zinc/40/60/43/1083406043.db2.gz PKAUFECMNYEXRA-JFIYKMOQSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)N(C)C)CCC[C@@H]12 ZINC001107451152 1083406050 /nfs/dbraw/zinc/40/60/50/1083406050.db2.gz PKAUFECMNYEXRA-JFIYKMOQSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CC[N@@H+](C)C1CCN(C(=O)CN(C)CCCCCC)CC1 ZINC001277435461 1083967428 /nfs/dbraw/zinc/96/74/28/1083967428.db2.gz OPKIPYYANRSVFM-UHFFFAOYSA-N 1 3 307.482 2.055 20 30 DEEDHO C#CC[N@H+](C)C1CCN(C(=O)CN(C)CCCCCC)CC1 ZINC001277435461 1083967433 /nfs/dbraw/zinc/96/74/33/1083967433.db2.gz OPKIPYYANRSVFM-UHFFFAOYSA-N 1 3 307.482 2.055 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001272763957 1083971069 /nfs/dbraw/zinc/97/10/69/1083971069.db2.gz ZPOACRXGVAFYHW-BRWVUGGUSA-N 1 3 307.482 2.169 20 30 DEEDHO C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001272786710 1084053384 /nfs/dbraw/zinc/05/33/84/1084053384.db2.gz UBXRFHOELSALLZ-BRSBDYLESA-N 1 3 319.493 2.147 20 30 DEEDHO CC(C)[N@H+]1C[C@@H]2CCN(Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277799186 1084153997 /nfs/dbraw/zinc/15/39/97/1084153997.db2.gz LVPRSZXRRQEJHB-CALCHBBNSA-N 1 3 300.450 2.449 20 30 DEEDHO CC(C)[N@@H+]1C[C@@H]2CCN(Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277799186 1084154001 /nfs/dbraw/zinc/15/40/01/1084154001.db2.gz LVPRSZXRRQEJHB-CALCHBBNSA-N 1 3 300.450 2.449 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001491302831 1084223452 /nfs/dbraw/zinc/22/34/52/1084223452.db2.gz ZDWDOZKUOQVPHL-GOEBONIOSA-N 1 3 318.465 2.444 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001491302831 1084223459 /nfs/dbraw/zinc/22/34/59/1084223459.db2.gz ZDWDOZKUOQVPHL-GOEBONIOSA-N 1 3 318.465 2.444 20 30 DEEDHO C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001235259910 1084363305 /nfs/dbraw/zinc/36/33/05/1084363305.db2.gz DLDAZCVHTZQLPE-ZWKOTPCHSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001235259910 1084363316 /nfs/dbraw/zinc/36/33/16/1084363316.db2.gz DLDAZCVHTZQLPE-ZWKOTPCHSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001078695092 1084828278 /nfs/dbraw/zinc/82/82/78/1084828278.db2.gz HOMGEQPSBUDPSY-JKSUJKDBSA-N 1 3 319.493 2.454 20 30 DEEDHO C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000963158226 1086317797 /nfs/dbraw/zinc/31/77/97/1086317797.db2.gz VDVNKZZDZNOERX-NRXISQOPSA-N 1 3 313.873 2.192 20 30 DEEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001079701213 1088338419 /nfs/dbraw/zinc/33/84/19/1088338419.db2.gz ZJNIIJGVVGMDNY-SOLBZPMBSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001079701213 1088338431 /nfs/dbraw/zinc/33/84/31/1088338431.db2.gz ZJNIIJGVVGMDNY-SOLBZPMBSA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084405582 1090291510 /nfs/dbraw/zinc/29/15/10/1090291510.db2.gz UNPIPKNWGNGUFT-FGTMMUONSA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084405582 1090291513 /nfs/dbraw/zinc/29/15/13/1090291513.db2.gz UNPIPKNWGNGUFT-FGTMMUONSA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001275144331 1091582186 /nfs/dbraw/zinc/58/21/86/1091582186.db2.gz XVLCRUOQSCZICZ-IAGOWNOFSA-N 1 3 309.498 2.462 20 30 DEEDHO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001275144331 1091582196 /nfs/dbraw/zinc/58/21/96/1091582196.db2.gz XVLCRUOQSCZICZ-IAGOWNOFSA-N 1 3 309.498 2.462 20 30 DEEDHO C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN(C)CC(C)(C)C ZINC001275144025 1091582307 /nfs/dbraw/zinc/58/23/07/1091582307.db2.gz TVHATTLXFOWVFE-INIZCTEOSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CN(C)CC(C)(C)C ZINC001275144025 1091582316 /nfs/dbraw/zinc/58/23/16/1091582316.db2.gz TVHATTLXFOWVFE-INIZCTEOSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCCCCN1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001273495195 1091883301 /nfs/dbraw/zinc/88/33/01/1091883301.db2.gz QCRFULPAAMYFFE-GOSISDBHSA-N 1 3 307.482 2.361 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC000948775636 1091929687 /nfs/dbraw/zinc/92/96/87/1091929687.db2.gz NOTPFKBURTZYLV-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC000948775636 1091929693 /nfs/dbraw/zinc/92/96/93/1091929693.db2.gz NOTPFKBURTZYLV-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C#CC[NH+]1CCC(CCCCCNC(=O)[C@H]2CCCN2C)CC1 ZINC001273807368 1092103290 /nfs/dbraw/zinc/10/32/90/1092103290.db2.gz KNRAAAOIYMFDRA-GOSISDBHSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001488996049 1092874852 /nfs/dbraw/zinc/87/48/52/1092874852.db2.gz DHWXTQAHJRHGJI-HOCLYGCPSA-N 1 3 304.438 2.135 20 30 DEEDHO CC#CCNC[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001278004940 1138406615 /nfs/dbraw/zinc/40/66/15/1138406615.db2.gz HVIGIHBDESYENI-ZWKOTPCHSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001319779490 1140713530 /nfs/dbraw/zinc/71/35/30/1140713530.db2.gz UWKLSYDPYMMUHM-CABCVRRESA-N 1 3 315.889 2.440 20 30 DEEDHO C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CCN1 ZINC001246360228 1140887976 /nfs/dbraw/zinc/88/79/76/1140887976.db2.gz GOIWLUTUEWYBER-HNAYVOBHSA-N 1 3 312.461 2.253 20 30 DEEDHO C[C@H]1CC[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CN1 ZINC001246365437 1140888753 /nfs/dbraw/zinc/88/87/53/1140888753.db2.gz XBPTZJMVFZDBNQ-KXBFYZLASA-N 1 3 312.461 2.253 20 30 DEEDHO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CCN[C@H](C)C1)CC2 ZINC001246730685 1141047129 /nfs/dbraw/zinc/04/71/29/1141047129.db2.gz AEHLSSKYPSUMFG-NUJGCVRESA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CCN[C@H](C)C1)CC2 ZINC001246730685 1141047139 /nfs/dbraw/zinc/04/71/39/1141047139.db2.gz AEHLSSKYPSUMFG-NUJGCVRESA-N 1 3 305.466 2.160 20 30 DEEDHO C#CCN(C(=O)CN(C)C(C)C)C1CC[NH+](CCC(=C)C)CC1 ZINC001324442343 1142077472 /nfs/dbraw/zinc/07/74/72/1142077472.db2.gz YUAUAOFGNUEYNK-UHFFFAOYSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCCC[C@@H](N)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC001263093435 1144355033 /nfs/dbraw/zinc/35/50/33/1144355033.db2.gz AQHGZKVMIZBWHX-OAHLLOKOSA-N 1 3 319.453 2.162 20 30 DEEDHO C=C(C)C[NH2+][C@H](CNC(=O)[C@@H](C)N1CCCCCC1)C1CC1 ZINC001265372386 1144699261 /nfs/dbraw/zinc/69/92/61/1144699261.db2.gz ICWSKGGCUQKOCX-NVXWUHKLSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001266177572 1144811853 /nfs/dbraw/zinc/81/18/53/1144811853.db2.gz HPDXHLPWLINEFJ-NVXWUHKLSA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001280308901 1144835361 /nfs/dbraw/zinc/83/53/61/1144835361.db2.gz WNHBTVHYWUWQET-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CC/C=C\CC)CC1 ZINC001282497415 1145080235 /nfs/dbraw/zinc/08/02/35/1145080235.db2.gz OFSORSUHFUMLFH-ZPUOCTKUSA-N 1 3 319.493 2.124 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](C)CC/C=C\CC)CC1 ZINC001282497415 1145080243 /nfs/dbraw/zinc/08/02/43/1145080243.db2.gz OFSORSUHFUMLFH-ZPUOCTKUSA-N 1 3 319.493 2.124 20 30 DEEDHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)[C@H]2C1 ZINC001364634634 1145392770 /nfs/dbraw/zinc/39/27/70/1145392770.db2.gz JCCDTGFICPIGAH-VDGAXYAQSA-N 1 3 324.472 2.457 20 30 DEEDHO CC#CCN(C)[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001491966558 1147023610 /nfs/dbraw/zinc/02/36/10/1147023610.db2.gz GGIVOZWUNTVSSI-SFHVURJKSA-N 1 3 319.493 2.199 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001316937247 1147573691 /nfs/dbraw/zinc/57/36/91/1147573691.db2.gz LQNHGGHSLNNOOA-QGZVFWFLSA-N 1 3 307.482 2.216 20 30 DEEDHO C#CCC[N@H+](CC)CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001316904586 1147627952 /nfs/dbraw/zinc/62/79/52/1147627952.db2.gz SISKPCBVYLZXDQ-QGZVFWFLSA-N 1 3 307.482 2.101 20 30 DEEDHO C#CCC[N@@H+](CC)CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001316904586 1147627954 /nfs/dbraw/zinc/62/79/54/1147627954.db2.gz SISKPCBVYLZXDQ-QGZVFWFLSA-N 1 3 307.482 2.101 20 30 DEEDHO C=CCC[NH2+][C@H](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001317406418 1147702223 /nfs/dbraw/zinc/70/22/23/1147702223.db2.gz SETGAIVKHBMDSP-RHSMWYFYSA-N 1 3 313.461 2.259 20 30 DEEDHO C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCN2CCC)CC1 ZINC001325655099 1147976817 /nfs/dbraw/zinc/97/68/17/1147976817.db2.gz AYUPUHIPWDBSDV-KZNAEPCWSA-N 1 3 319.493 2.006 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001327162545 1148340434 /nfs/dbraw/zinc/34/04/34/1148340434.db2.gz JOUSXLOAXGWGNA-OAHLLOKOSA-N 1 3 304.438 2.198 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001327162545 1148340442 /nfs/dbraw/zinc/34/04/42/1148340442.db2.gz JOUSXLOAXGWGNA-OAHLLOKOSA-N 1 3 304.438 2.198 20 30 DEEDHO N#CCCC[C@@H](N)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000424140079 230600646 /nfs/dbraw/zinc/60/06/46/230600646.db2.gz AZDUBLSBOBTAFA-QGZVFWFLSA-N 1 3 314.433 2.285 20 30 DEEDHO CN(C)CC(C)(C)CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083029689 355461451 /nfs/dbraw/zinc/46/14/51/355461451.db2.gz MUQRBZQLRJVJPC-CQSZACIVSA-N 1 3 304.438 2.002 20 30 DEEDHO C[C@H]1CC[NH2+]C[C@H]1NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593322335 358054254 /nfs/dbraw/zinc/05/42/54/358054254.db2.gz MDVBLVIKIVAQJV-HNAYVOBHSA-N 1 3 312.461 2.110 20 30 DEEDHO CC(C)N1CCN(C2CC[NH+](C[C@@H](C)CCC#N)CC2)CC1 ZINC000602486058 360402748 /nfs/dbraw/zinc/40/27/48/360402748.db2.gz UUBIRZBOJBRJSL-KRWDZBQOSA-N 1 3 306.498 2.417 20 30 DEEDHO C#CCN1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001328254730 1148755388 /nfs/dbraw/zinc/75/53/88/1148755388.db2.gz GACBPTHCUNBZSX-HOTGVXAUSA-N 1 3 319.493 2.242 20 30 DEEDHO C#CCN1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001328254730 1148755395 /nfs/dbraw/zinc/75/53/95/1148755395.db2.gz GACBPTHCUNBZSX-HOTGVXAUSA-N 1 3 319.493 2.242 20 30 DEEDHO C=CCCN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000267407781 206043326 /nfs/dbraw/zinc/04/33/26/206043326.db2.gz SIXGSBRXOKACQU-UHFFFAOYSA-N 1 3 303.450 2.325 20 30 DEEDHO CC[NH+]=C(NCc1cnc(C)s1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000158295442 402303940 /nfs/dbraw/zinc/30/39/40/402303940.db2.gz UAGOOGYDPLMZFH-SWLSCSKDSA-N 1 3 323.510 2.235 20 30 DEEDHO CCN1CCN(CCCC[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000176947248 402353504 /nfs/dbraw/zinc/35/35/04/402353504.db2.gz NOFWUCFMYRRRDN-UHFFFAOYSA-N 1 3 306.479 2.127 20 30 DEEDHO C=CCN1CCC(NC(=O)N(CC)CCC[NH+]2CCCC2)CC1 ZINC000190166266 402580683 /nfs/dbraw/zinc/58/06/83/402580683.db2.gz NGJKPJWIFUOZGG-UHFFFAOYSA-N 1 3 322.497 2.154 20 30 DEEDHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(C#N)cc1 ZINC000181705035 402654644 /nfs/dbraw/zinc/65/46/44/402654644.db2.gz WWDAYUMRAJSODW-INIZCTEOSA-N 1 3 300.450 2.236 20 30 DEEDHO C[NH+]1CCC(C)(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280179950 402972630 /nfs/dbraw/zinc/97/26/30/402972630.db2.gz DGNMFOIXFUYGLO-KRWDZBQOSA-N 1 3 324.428 2.089 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)C(C)C ZINC000270360940 403183689 /nfs/dbraw/zinc/18/36/89/403183689.db2.gz XOJUVQXANMMIJD-IAGOWNOFSA-N 1 3 307.482 2.191 20 30 DEEDHO CC[NH+](CC)CCOc1ccc(CNC(=O)C(C)C#N)cc1 ZINC000347117488 403616163 /nfs/dbraw/zinc/61/61/63/403616163.db2.gz UPUBOQYJGZTMHV-AWEZNQCLSA-N 1 3 303.406 2.183 20 30 DEEDHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000329800390 404456743 /nfs/dbraw/zinc/45/67/43/404456743.db2.gz INESAEMIGJZIPQ-DOMZBBRYSA-N 1 3 322.497 2.282 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)NC1(C)CC[NH2+]CC1)C(C)C ZINC000417072863 405027212 /nfs/dbraw/zinc/02/72/12/405027212.db2.gz XOODZKWYYVHTPU-INIZCTEOSA-N 1 3 322.497 2.126 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000417538592 405090317 /nfs/dbraw/zinc/09/03/17/405090317.db2.gz NKOZTLSJWPXQLX-INIZCTEOSA-N 1 3 322.497 2.104 20 30 DEEDHO CC(C)[C@@H](N)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423263316 405741935 /nfs/dbraw/zinc/74/19/35/405741935.db2.gz AWMHRCMDVVZNPD-SFHVURJKSA-N 1 3 300.450 2.096 20 30 DEEDHO CC(C)[C@@H]([NH3+])CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423263316 405741942 /nfs/dbraw/zinc/74/19/42/405741942.db2.gz AWMHRCMDVVZNPD-SFHVURJKSA-N 1 3 300.450 2.096 20 30 DEEDHO C=CCc1ccccc1OC[C@H](O)CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000569803960 406304625 /nfs/dbraw/zinc/30/46/25/406304625.db2.gz GTCPLBAIUWYVEC-KBAYOESNSA-N 1 3 318.461 2.227 20 30 DEEDHO C=CCc1ccccc1OC[C@H](O)CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000569803960 406304632 /nfs/dbraw/zinc/30/46/32/406304632.db2.gz GTCPLBAIUWYVEC-KBAYOESNSA-N 1 3 318.461 2.227 20 30 DEEDHO C=C(Cl)CN[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1C ZINC001423327149 1173242568 /nfs/dbraw/zinc/24/25/68/1173242568.db2.gz RXEJFPLCFRUOGV-KGLIPLIRSA-N 1 3 315.889 2.296 20 30 DEEDHO C=C(Cl)CN[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1C ZINC001423327149 1173242581 /nfs/dbraw/zinc/24/25/81/1173242581.db2.gz RXEJFPLCFRUOGV-KGLIPLIRSA-N 1 3 315.889 2.296 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1cccnc1)C(C)C ZINC000267595747 276378112 /nfs/dbraw/zinc/37/81/12/276378112.db2.gz VZEDGSNCWQRILI-DLBZAZTESA-N 1 3 317.481 2.210 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)C(C)C ZINC000417072797 276891344 /nfs/dbraw/zinc/89/13/44/276891344.db2.gz XHLUIINPPKBLNH-BRWVUGGUSA-N 1 3 322.497 2.064 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C)C(C)C ZINC000353454967 277851936 /nfs/dbraw/zinc/85/19/36/277851936.db2.gz WXFLYVXKBAOYQG-KURKYZTESA-N 1 3 321.509 2.435 20 30 DEEDHO CN1CCC(N2CCC([NH2+][C@H]3CCC[C@@H](C#N)C3)CC2)CC1 ZINC000192787225 289882313 /nfs/dbraw/zinc/88/23/13/289882313.db2.gz MDJKLTUUSMKLQK-WBVHZDCISA-N 1 3 304.482 2.217 20 30 DEEDHO C=C[C@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1 ZINC000534799816 334337451 /nfs/dbraw/zinc/33/74/51/334337451.db2.gz MVUNWJDLRDPQRL-QGZVFWFLSA-N 1 3 317.477 2.298 20 30 DEEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001357582477 1152314936 /nfs/dbraw/zinc/31/49/36/1152314936.db2.gz WTHVJRQTTYAEMX-HYVNUMGLSA-N 1 3 305.466 2.145 20 30 DEEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001357582477 1152314941 /nfs/dbraw/zinc/31/49/41/1152314941.db2.gz WTHVJRQTTYAEMX-HYVNUMGLSA-N 1 3 305.466 2.145 20 30 DEEDHO C[N@H+](CCCN1CCCC1)CCC(=O)Nc1cccc(C#N)c1 ZINC000337282370 522746790 /nfs/dbraw/zinc/74/67/90/522746790.db2.gz XJNRESDVYMRUPG-UHFFFAOYSA-N 1 3 314.433 2.305 20 30 DEEDHO C[N@@H+](CCCN1CCCC1)CCC(=O)Nc1cccc(C#N)c1 ZINC000337282370 522746796 /nfs/dbraw/zinc/74/67/96/522746796.db2.gz XJNRESDVYMRUPG-UHFFFAOYSA-N 1 3 314.433 2.305 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000447950093 526434189 /nfs/dbraw/zinc/43/41/89/526434189.db2.gz FKAKHRWWBLMPFL-INIZCTEOSA-N 1 3 322.497 2.056 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000447950093 526434194 /nfs/dbraw/zinc/43/41/94/526434194.db2.gz FKAKHRWWBLMPFL-INIZCTEOSA-N 1 3 322.497 2.056 20 30 DEEDHO C#C[C@@H](NC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)C(C)C ZINC000262065483 527193562 /nfs/dbraw/zinc/19/35/62/527193562.db2.gz CHLKXRUDOJJOKC-GOSISDBHSA-N 1 3 312.461 2.213 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Cc1cccs1 ZINC000267436129 529073796 /nfs/dbraw/zinc/07/37/96/529073796.db2.gz NUWWQIIYHHYSKD-UONOGXRCSA-N 1 3 308.495 2.315 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1c(F)cccc1SC ZINC000285161813 529100125 /nfs/dbraw/zinc/10/01/25/529100125.db2.gz SOJSLLFPXJZBEC-LBPRGKRZSA-N 1 3 324.469 2.436 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001023632932 625364799 /nfs/dbraw/zinc/36/47/99/625364799.db2.gz RXEXBWROXDAGKX-ZWKOTPCHSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001023632932 625364802 /nfs/dbraw/zinc/36/48/02/625364802.db2.gz RXEXBWROXDAGKX-ZWKOTPCHSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001027692365 634446619 /nfs/dbraw/zinc/44/66/19/634446619.db2.gz GUMNMOANBSCKLZ-QGZVFWFLSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001027692365 634446622 /nfs/dbraw/zinc/44/66/22/634446622.db2.gz GUMNMOANBSCKLZ-QGZVFWFLSA-N 1 3 315.461 2.471 20 30 DEEDHO C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCCN1C(C)C ZINC001024691717 632927530 /nfs/dbraw/zinc/92/75/30/632927530.db2.gz AAPHSAUWXQPTJT-QZTJIDSGSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCCN1C(C)C ZINC001024691717 632927532 /nfs/dbraw/zinc/92/75/32/632927532.db2.gz AAPHSAUWXQPTJT-QZTJIDSGSA-N 1 3 319.493 2.243 20 30 DEEDHO C=CCC[N@@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974779746 633301598 /nfs/dbraw/zinc/30/15/98/633301598.db2.gz YOQWZUNKHOUIFU-HNNXBMFYSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CCC[N@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974779746 633301600 /nfs/dbraw/zinc/30/16/00/633301600.db2.gz YOQWZUNKHOUIFU-HNNXBMFYSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCN2CCC)CC1 ZINC000997126892 633612984 /nfs/dbraw/zinc/61/29/84/633612984.db2.gz GHLOSZJHPIVIET-NVXWUHKLSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCN2C)CC1 ZINC000997951763 634073339 /nfs/dbraw/zinc/07/33/39/634073339.db2.gz ZSOCWYRHGONGPP-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCN2C)CC1 ZINC000997951763 634073342 /nfs/dbraw/zinc/07/33/42/634073342.db2.gz ZSOCWYRHGONGPP-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000998018589 634115067 /nfs/dbraw/zinc/11/50/67/634115067.db2.gz VUJAZCLTFMSLDC-MSOLQXFVSA-N 1 3 319.493 2.195 20 30 DEEDHO C#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000998018589 634115071 /nfs/dbraw/zinc/11/50/71/634115071.db2.gz VUJAZCLTFMSLDC-MSOLQXFVSA-N 1 3 319.493 2.195 20 30 DEEDHO C=CCCN1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000982081725 635863305 /nfs/dbraw/zinc/86/33/05/635863305.db2.gz XUNFAOHGAYCAMR-KRWDZBQOSA-N 1 3 307.482 2.361 20 30 DEEDHO C=CCC[N@H+]1CCCN(C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000982081725 635863308 /nfs/dbraw/zinc/86/33/08/635863308.db2.gz XUNFAOHGAYCAMR-KRWDZBQOSA-N 1 3 307.482 2.361 20 30 DEEDHO C=CCC[N@@H+]1CCCN(C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000982081725 635863310 /nfs/dbraw/zinc/86/33/10/635863310.db2.gz XUNFAOHGAYCAMR-KRWDZBQOSA-N 1 3 307.482 2.361 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCc2ccccc21 ZINC000178574479 635940706 /nfs/dbraw/zinc/94/07/06/635940706.db2.gz FQXSVJMCSVTBGB-JKSUJKDBSA-N 1 3 300.450 2.105 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004617124 636503809 /nfs/dbraw/zinc/50/38/09/636503809.db2.gz OSGXXQQAMBQQEW-GOSISDBHSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004617124 636503816 /nfs/dbraw/zinc/50/38/16/636503816.db2.gz OSGXXQQAMBQQEW-GOSISDBHSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779192 636646563 /nfs/dbraw/zinc/64/65/63/636646563.db2.gz JJVVVGGKSNIHFQ-OKZBNKHCSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779192 636646571 /nfs/dbraw/zinc/64/65/71/636646571.db2.gz JJVVVGGKSNIHFQ-OKZBNKHCSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005503207 636752866 /nfs/dbraw/zinc/75/28/66/636752866.db2.gz IUPLPZJZQKWHPG-QGZVFWFLSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005503207 636752871 /nfs/dbraw/zinc/75/28/71/636752871.db2.gz IUPLPZJZQKWHPG-QGZVFWFLSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCN3CC)CC[C@@H]2C1 ZINC000946901739 637184283 /nfs/dbraw/zinc/18/42/83/637184283.db2.gz DMYIGFFAHRYVAZ-FGTMMUONSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCN3CC)CC[C@@H]2C1 ZINC000946901739 637184287 /nfs/dbraw/zinc/18/42/87/637184287.db2.gz DMYIGFFAHRYVAZ-FGTMMUONSA-N 1 3 319.493 2.217 20 30 DEEDHO CC1(C)CCCN1CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000263182244 640103369 /nfs/dbraw/zinc/10/33/69/640103369.db2.gz UJNPPZQWUMWUKG-OAHLLOKOSA-N 1 3 316.449 2.289 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC000992710805 647193694 /nfs/dbraw/zinc/19/36/94/647193694.db2.gz JUSKTUSCPKNYQA-BRWVUGGUSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]21 ZINC000992859040 647308530 /nfs/dbraw/zinc/30/85/30/647308530.db2.gz LXZXRRCUXWCEEW-KZNAEPCWSA-N 1 3 319.493 2.121 20 30 DEEDHO CCCCN1CCC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000819043254 647571084 /nfs/dbraw/zinc/57/10/84/647571084.db2.gz QTRGZAZUCMFXMU-GOSISDBHSA-N 1 3 301.434 2.446 20 30 DEEDHO C[NH+](C)CCOc1ccc(C=NNCCN2CCCCC2)cc1 ZINC000915975671 647823491 /nfs/dbraw/zinc/82/34/91/647823491.db2.gz VPSODSCOYRLXBB-UHFFFAOYSA-N 1 3 318.465 2.036 20 30 DEEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)C(C)(C)C1 ZINC000940785078 648941229 /nfs/dbraw/zinc/94/12/29/648941229.db2.gz HBFGFMLNZGVSJO-SJORKVTESA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)C(C)(C)C1 ZINC000940785078 648941225 /nfs/dbraw/zinc/94/12/25/648941225.db2.gz HBFGFMLNZGVSJO-SJORKVTESA-N 1 3 319.493 2.101 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC000940945258 648976011 /nfs/dbraw/zinc/97/60/11/648976011.db2.gz ZKIJFZMKNYWUGW-OAHLLOKOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC000940945258 648976013 /nfs/dbraw/zinc/97/60/13/648976013.db2.gz ZKIJFZMKNYWUGW-OAHLLOKOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC000941186498 649018446 /nfs/dbraw/zinc/01/84/46/649018446.db2.gz KRZSLDWVJYWVHU-MRXNPFEDSA-N 1 3 318.465 2.444 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC000941186498 649018449 /nfs/dbraw/zinc/01/84/49/649018449.db2.gz KRZSLDWVJYWVHU-MRXNPFEDSA-N 1 3 318.465 2.444 20 30 DEEDHO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945028578 649600071 /nfs/dbraw/zinc/60/00/71/649600071.db2.gz JTYLEOXMSVDVAT-QAPCUYQASA-N 1 3 315.461 2.374 20 30 DEEDHO C=CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945028578 649600072 /nfs/dbraw/zinc/60/00/72/649600072.db2.gz JTYLEOXMSVDVAT-QAPCUYQASA-N 1 3 315.461 2.374 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054145483 693861826 /nfs/dbraw/zinc/86/18/26/693861826.db2.gz QRLGNRWDMBLVFH-IEBWSBKVSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054145483 693861829 /nfs/dbraw/zinc/86/18/29/693861829.db2.gz QRLGNRWDMBLVFH-IEBWSBKVSA-N 1 3 319.493 2.217 20 30 DEEDHO CCN(CC)[C@H](CNC(=[NH2+])N1CCSCC1)CC(C)C ZINC000303769780 685233415 /nfs/dbraw/zinc/23/34/15/685233415.db2.gz BDIJEEPIWYDGGO-AWEZNQCLSA-N 1 3 300.516 2.106 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001015978276 687489259 /nfs/dbraw/zinc/48/92/59/687489259.db2.gz YNVNLJIMDJYUJC-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001015978276 687489261 /nfs/dbraw/zinc/48/92/61/687489261.db2.gz YNVNLJIMDJYUJC-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001016824766 687711008 /nfs/dbraw/zinc/71/10/08/687711008.db2.gz DXEDTZNMODBUND-IAGOWNOFSA-N 1 3 319.493 2.265 20 30 DEEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001032801585 689265080 /nfs/dbraw/zinc/26/50/80/689265080.db2.gz FKYMCJWXJDAXCS-IRXDYDNUSA-N 1 3 305.466 2.114 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001033084139 689381150 /nfs/dbraw/zinc/38/11/50/689381150.db2.gz WZNWSRDGFGNYRY-IRXDYDNUSA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001033084139 689381155 /nfs/dbraw/zinc/38/11/55/689381155.db2.gz WZNWSRDGFGNYRY-IRXDYDNUSA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001033084140 689381617 /nfs/dbraw/zinc/38/16/17/689381617.db2.gz WZNWSRDGFGNYRY-SJORKVTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001033084140 689381621 /nfs/dbraw/zinc/38/16/21/689381621.db2.gz WZNWSRDGFGNYRY-SJORKVTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000876709262 689911658 /nfs/dbraw/zinc/91/16/58/689911658.db2.gz NHGIACFLTFNXJQ-JKSUJKDBSA-N 1 3 323.868 2.438 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000876723783 689916151 /nfs/dbraw/zinc/91/61/51/689916151.db2.gz HIVPITZFZFYFGH-CQSZACIVSA-N 1 3 301.862 2.227 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000876723783 689916154 /nfs/dbraw/zinc/91/61/54/689916154.db2.gz HIVPITZFZFYFGH-CQSZACIVSA-N 1 3 301.862 2.227 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001034659456 689921064 /nfs/dbraw/zinc/92/10/64/689921064.db2.gz VAJFLWLZSIPFAN-ULQDDVLXSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CCC[C@@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccccc1 ZINC000878368669 690388917 /nfs/dbraw/zinc/38/89/17/690388917.db2.gz MLFUGOCUTUTGPG-GOSISDBHSA-N 1 3 315.461 2.494 20 30 DEEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1CC ZINC001037925087 690641726 /nfs/dbraw/zinc/64/17/26/690641726.db2.gz JYVGBQLCMHQSCJ-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001038343257 690789000 /nfs/dbraw/zinc/78/90/00/690789000.db2.gz YOIYEDDKBLVAGI-DLBZAZTESA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001038343257 690789004 /nfs/dbraw/zinc/78/90/04/690789004.db2.gz YOIYEDDKBLVAGI-DLBZAZTESA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CCN1CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001038905751 690962229 /nfs/dbraw/zinc/96/22/29/690962229.db2.gz QZTQGCZVLOFLEQ-SFHVURJKSA-N 1 3 319.493 2.265 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039116095 691024213 /nfs/dbraw/zinc/02/42/13/691024213.db2.gz QLYFZTQBXNSLQD-ROUUACIJSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039116095 691024215 /nfs/dbraw/zinc/02/42/15/691024215.db2.gz QLYFZTQBXNSLQD-ROUUACIJSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001039136675 691030951 /nfs/dbraw/zinc/03/09/51/691030951.db2.gz NGYKCYSGTBCILK-ZWKOTPCHSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001039136675 691030953 /nfs/dbraw/zinc/03/09/53/691030953.db2.gz NGYKCYSGTBCILK-ZWKOTPCHSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039216252 691057236 /nfs/dbraw/zinc/05/72/36/691057236.db2.gz ZATXDFKPFSPTJO-SJLPKXTDSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039216252 691057237 /nfs/dbraw/zinc/05/72/37/691057237.db2.gz ZATXDFKPFSPTJO-SJLPKXTDSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001039297903 691076662 /nfs/dbraw/zinc/07/66/62/691076662.db2.gz DCGDDBMGDPQMHY-OOKSDGMUSA-N 1 3 319.493 2.406 20 30 DEEDHO C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040395452 691241941 /nfs/dbraw/zinc/24/19/41/691241941.db2.gz PYINEJARSARNSX-MJGOQNOKSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040395452 691241944 /nfs/dbraw/zinc/24/19/44/691241944.db2.gz PYINEJARSARNSX-MJGOQNOKSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049915123 693047434 /nfs/dbraw/zinc/04/74/34/693047434.db2.gz SOYWJBWRQGUYGR-RCCFBDPRSA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)CC[NH+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001050546240 693204750 /nfs/dbraw/zinc/20/47/50/693204750.db2.gz KVZWUKKCGDQTGI-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001389343364 1155314864 /nfs/dbraw/zinc/31/48/64/1155314864.db2.gz JAYMRLVAVRYRFR-GJZGRUSLSA-N 1 3 315.889 2.440 20 30 DEEDHO C=C(Cl)CNC[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001370963464 1155654053 /nfs/dbraw/zinc/65/40/53/1155654053.db2.gz NBCCTOTXMQWCNJ-LSDHHAIUSA-N 1 3 315.889 2.296 20 30 DEEDHO C=C(Cl)CN[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC001374433310 1157854134 /nfs/dbraw/zinc/85/41/34/1157854134.db2.gz CHAZOEJCUHJKES-UONOGXRCSA-N 1 3 303.878 2.056 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001437836872 1180023060 /nfs/dbraw/zinc/02/30/60/1180023060.db2.gz AUWCWYJSOYZLBS-ZFWWWQNUSA-N 1 3 313.873 2.050 20 30 DEEDHO C=CCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104683613 778021534 /nfs/dbraw/zinc/02/15/34/778021534.db2.gz NOCDFDMRKLCNJB-IAGOWNOFSA-N 1 3 321.509 2.369 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106694 779706156 /nfs/dbraw/zinc/70/61/56/779706156.db2.gz MOCQVGMWNVPYQI-KSZLIROESA-N 1 3 319.493 2.075 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106694 779706164 /nfs/dbraw/zinc/70/61/64/779706164.db2.gz MOCQVGMWNVPYQI-KSZLIROESA-N 1 3 319.493 2.075 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001088381246 780050156 /nfs/dbraw/zinc/05/01/56/780050156.db2.gz AIWNVOFMUISSMU-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CN(C)CCC)CCC1 ZINC001105575192 780773283 /nfs/dbraw/zinc/77/32/83/780773283.db2.gz UNONEKXXRSIQBF-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001089641334 783311092 /nfs/dbraw/zinc/31/10/92/783311092.db2.gz KVDIUJYOXUPOAW-IRXDYDNUSA-N 1 3 319.493 2.121 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085204031 783580285 /nfs/dbraw/zinc/58/02/85/783580285.db2.gz QFUXLHVLJLKCPC-KBUPBQIOSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001085204031 783580292 /nfs/dbraw/zinc/58/02/92/783580292.db2.gz QFUXLHVLJLKCPC-KBUPBQIOSA-N 1 3 313.873 2.096 20 30 DEEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001085639222 783915347 /nfs/dbraw/zinc/91/53/47/783915347.db2.gz KVEIOCANFYTRJC-IAGOWNOFSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001085639222 783915353 /nfs/dbraw/zinc/91/53/53/783915353.db2.gz KVEIOCANFYTRJC-IAGOWNOFSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001085688589 783966691 /nfs/dbraw/zinc/96/66/91/783966691.db2.gz NQCXXYIYUUVTER-IRXDYDNUSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001085688589 783966693 /nfs/dbraw/zinc/96/66/93/783966693.db2.gz NQCXXYIYUUVTER-IRXDYDNUSA-N 1 3 307.482 2.216 20 30 DEEDHO CC#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000968867055 784626140 /nfs/dbraw/zinc/62/61/40/784626140.db2.gz RCBCFFLKUPGQGG-FGTMMUONSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000968867055 784626153 /nfs/dbraw/zinc/62/61/53/784626153.db2.gz RCBCFFLKUPGQGG-FGTMMUONSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001007327431 784890163 /nfs/dbraw/zinc/89/01/63/784890163.db2.gz NUUBVDDCMOMPRV-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001007327431 784890166 /nfs/dbraw/zinc/89/01/66/784890166.db2.gz NUUBVDDCMOMPRV-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001091267145 791074275 /nfs/dbraw/zinc/07/42/75/791074275.db2.gz AMAPFDCZYVCXHP-OFLPRAFFSA-N 1 3 307.482 2.310 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001008162950 785124904 /nfs/dbraw/zinc/12/49/04/785124904.db2.gz NPWBBEZLCPAZLB-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001008162950 785124912 /nfs/dbraw/zinc/12/49/12/785124912.db2.gz NPWBBEZLCPAZLB-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001015387490 787027870 /nfs/dbraw/zinc/02/78/70/787027870.db2.gz LVRRDYBOPCIVPO-DLBZAZTESA-N 1 3 305.466 2.018 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001015387490 787027876 /nfs/dbraw/zinc/02/78/76/787027876.db2.gz LVRRDYBOPCIVPO-DLBZAZTESA-N 1 3 305.466 2.018 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)CC[C@H]1C ZINC001133176991 788307230 /nfs/dbraw/zinc/30/72/30/788307230.db2.gz BTMPPEHHSZNKOV-IAGOWNOFSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CC[C@H]1C ZINC001133181868 788309045 /nfs/dbraw/zinc/30/90/45/788309045.db2.gz JXUCZRFLJWAPGG-SJORKVTESA-N 1 3 309.498 2.369 20 30 DEEDHO C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134584784 788989099 /nfs/dbraw/zinc/98/90/99/788989099.db2.gz XAXFRIYBGFQREO-OLZOCXBDSA-N 1 3 301.862 2.096 20 30 DEEDHO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CCCCCC ZINC001135691195 789450725 /nfs/dbraw/zinc/45/07/25/789450725.db2.gz PUZFIBALZDEGFP-IAGOWNOFSA-N 1 3 309.498 2.395 20 30 DEEDHO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CCCCCC ZINC001135690899 789451138 /nfs/dbraw/zinc/45/11/38/789451138.db2.gz LOWTZKXIAOFAPI-IAGOWNOFSA-N 1 3 309.498 2.395 20 30 DEEDHO C=C(C)CN1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071871194 789951615 /nfs/dbraw/zinc/95/16/15/789951615.db2.gz GNHFXKDQULXWCX-WBVHZDCISA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC(=C)C)CC1 ZINC001146612054 791322693 /nfs/dbraw/zinc/32/26/93/791322693.db2.gz PDHSWMFUUGNLLM-SJORKVTESA-N 1 3 319.493 2.171 20 30 DEEDHO C=CCC[N@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315887 791737870 /nfs/dbraw/zinc/73/78/70/791737870.db2.gz ZOGZFTPKZQTUCH-UHFFFAOYSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CCC[N@@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315887 791737872 /nfs/dbraw/zinc/73/78/72/791737872.db2.gz ZOGZFTPKZQTUCH-UHFFFAOYSA-N 1 3 307.482 2.075 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091737940 791783924 /nfs/dbraw/zinc/78/39/24/791783924.db2.gz KVXPXSCAMGXUML-LMMKCTJWSA-N 1 3 319.493 2.073 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091737940 791783927 /nfs/dbraw/zinc/78/39/27/791783927.db2.gz KVXPXSCAMGXUML-LMMKCTJWSA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCN2CCC)[C@H](C)C1 ZINC001092658092 792104578 /nfs/dbraw/zinc/10/45/78/792104578.db2.gz HDEGIBXQTCKORQ-ZACQAIPSSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCN2CCC)[C@H](C)C1 ZINC001092658092 792104585 /nfs/dbraw/zinc/10/45/85/792104585.db2.gz HDEGIBXQTCKORQ-ZACQAIPSSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368909 793135862 /nfs/dbraw/zinc/13/58/62/793135862.db2.gz UCYWEDKLJDLILT-APWZRJJASA-N 1 3 321.509 2.321 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368909 793135868 /nfs/dbraw/zinc/13/58/68/793135868.db2.gz UCYWEDKLJDLILT-APWZRJJASA-N 1 3 321.509 2.321 20 30 DEEDHO C=CC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC001101974882 793465388 /nfs/dbraw/zinc/46/53/88/793465388.db2.gz VCPYPDAAVKCMGC-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CC[N@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC001101974882 793465390 /nfs/dbraw/zinc/46/53/90/793465390.db2.gz VCPYPDAAVKCMGC-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103085081 793934626 /nfs/dbraw/zinc/93/46/26/793934626.db2.gz CZTSUGJRKPUJNH-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103085081 793934631 /nfs/dbraw/zinc/93/46/31/793934631.db2.gz CZTSUGJRKPUJNH-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001175263465 794172004 /nfs/dbraw/zinc/17/20/04/794172004.db2.gz PXIXXBQQTHCJRI-UKRRQHHQSA-N 1 3 315.889 2.345 20 30 DEEDHO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001175271393 794174319 /nfs/dbraw/zinc/17/43/19/794174319.db2.gz AXKLLINUOAOQQQ-MRXNPFEDSA-N 1 3 307.482 2.006 20 30 DEEDHO C=C(Cl)CNCCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001176992466 794551866 /nfs/dbraw/zinc/55/18/66/794551866.db2.gz QBOUODBLPFGKGL-HNNXBMFYSA-N 1 3 315.889 2.345 20 30 DEEDHO C=C(Cl)C[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCCCC1 ZINC001115733030 794900793 /nfs/dbraw/zinc/90/07/93/794900793.db2.gz IOTAJQQLUXKAQF-AWEZNQCLSA-N 1 3 315.889 2.488 20 30 DEEDHO C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001178902574 795027345 /nfs/dbraw/zinc/02/73/45/795027345.db2.gz XCHSPYNYUTYHAZ-ZOBUZTSGSA-N 1 3 307.482 2.404 20 30 DEEDHO C=C(Cl)CN[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001179550224 795134997 /nfs/dbraw/zinc/13/49/97/795134997.db2.gz RXEJFPLCFRUOGV-KBPBESRZSA-N 1 3 315.889 2.296 20 30 DEEDHO C=C(Cl)CN[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001179550224 795135005 /nfs/dbraw/zinc/13/50/05/795135005.db2.gz RXEJFPLCFRUOGV-KBPBESRZSA-N 1 3 315.889 2.296 20 30 DEEDHO C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001181885175 795556452 /nfs/dbraw/zinc/55/64/52/795556452.db2.gz RDHKLCHXTYODST-JFIYKMOQSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCC[NH2+]C1CC2(CC(NC(=O)CN3CCC[C@H]3C)C2)C1 ZINC001121768003 795685104 /nfs/dbraw/zinc/68/51/04/795685104.db2.gz UXRSMRQCNXRQLS-XOGYLQAWSA-N 1 3 305.466 2.064 20 30 DEEDHO C#CCN1CCC(C(=O)NCC[NH2+]CCC2CCCCC2)CC1 ZINC001152334619 797172104 /nfs/dbraw/zinc/17/21/04/797172104.db2.gz KXTDDFSFLRDRPT-UHFFFAOYSA-N 1 3 319.493 2.008 20 30 DEEDHO C=CCCC[N@H+]1CCCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001198221680 798295594 /nfs/dbraw/zinc/29/55/94/798295594.db2.gz MWWZKCCEMMFPMU-CALCHBBNSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@@H+]1CCCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001198221680 798295597 /nfs/dbraw/zinc/29/55/97/798295597.db2.gz MWWZKCCEMMFPMU-CALCHBBNSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[C@H](C)[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001201037997 798709253 /nfs/dbraw/zinc/70/92/53/798709253.db2.gz RIXUPUFHAVPUCE-HNNXBMFYSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203659845 800102356 /nfs/dbraw/zinc/10/23/56/800102356.db2.gz MKXNQYRWXHDQJH-HOTGVXAUSA-N 1 3 316.449 2.244 20 30 DEEDHO C=CC[NH2+]CC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001206950567 800639433 /nfs/dbraw/zinc/63/94/33/800639433.db2.gz YXRDBZATXTUOMF-UHFFFAOYSA-N 1 3 315.461 2.376 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001207859135 800849776 /nfs/dbraw/zinc/84/97/76/800849776.db2.gz JLBRBJRBJINRNB-IXDOHACOSA-N 1 3 319.493 2.406 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001207859135 800849782 /nfs/dbraw/zinc/84/97/82/800849782.db2.gz JLBRBJRBJINRNB-IXDOHACOSA-N 1 3 319.493 2.406 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC)CC1 ZINC001230251883 801375432 /nfs/dbraw/zinc/37/54/32/801375432.db2.gz OLKSMLQICMUCHL-QZTJIDSGSA-N 1 3 319.493 2.149 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230627058 801439967 /nfs/dbraw/zinc/43/99/67/801439967.db2.gz AISWUHRNCJDARJ-SFHVURJKSA-N 1 3 319.493 2.053 20 30 DEEDHO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230627058 801439969 /nfs/dbraw/zinc/43/99/69/801439969.db2.gz AISWUHRNCJDARJ-SFHVURJKSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214861343 801767776 /nfs/dbraw/zinc/76/77/76/801767776.db2.gz RLBKOCQYPKNPNE-BFYDXBDKSA-N 1 3 307.482 2.262 20 30 DEEDHO CC#CCN1CCC(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001223480479 802793761 /nfs/dbraw/zinc/79/37/61/802793761.db2.gz MXPYNUVQKSFZAL-SFHVURJKSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CCC(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001223480479 802793765 /nfs/dbraw/zinc/79/37/65/802793765.db2.gz MXPYNUVQKSFZAL-SFHVURJKSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CCC(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001223678319 802808130 /nfs/dbraw/zinc/80/81/30/802808130.db2.gz MLMRLJLEHQQSQO-UHFFFAOYSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CCC(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001223678319 802808136 /nfs/dbraw/zinc/80/81/36/802808136.db2.gz MLMRLJLEHQQSQO-UHFFFAOYSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@@H]21 ZINC001223697748 802810045 /nfs/dbraw/zinc/81/00/45/802810045.db2.gz JUAGKJOXFRGLOE-SQNIBIBYSA-N 1 3 321.509 2.462 20 30 DEEDHO C=CCC[NH+]1CCC(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001225541435 802979476 /nfs/dbraw/zinc/97/94/76/802979476.db2.gz CJPWZECBDBDDGQ-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001328694829 1148825106 /nfs/dbraw/zinc/82/51/06/1148825106.db2.gz WKEMRTADUHPQHK-KURKYZTESA-N 1 3 315.461 2.130 20 30 DEEDHO C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001501190039 1059363629 /nfs/dbraw/zinc/36/36/29/1059363629.db2.gz MPCOZKFKOPUQCT-VPLLLXJESA-N 1 3 319.493 2.005 20 30 DEEDHO CC#CCN1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001502839051 1060350654 /nfs/dbraw/zinc/35/06/54/1060350654.db2.gz QUBTXRXGELTFSJ-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001479747348 1061674990 /nfs/dbraw/zinc/67/49/90/1061674990.db2.gz XQUFKOQJWXOAFL-HNNXBMFYSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001479747348 1061674999 /nfs/dbraw/zinc/67/49/99/1061674999.db2.gz XQUFKOQJWXOAFL-HNNXBMFYSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001506663725 1062253327 /nfs/dbraw/zinc/25/33/27/1062253327.db2.gz VWCOGGHMKIAWBB-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001480190347 1062442726 /nfs/dbraw/zinc/44/27/26/1062442726.db2.gz ZVJBHTKUQNHSTF-ROUUACIJSA-N 1 3 319.493 2.055 20 30 DEEDHO C=C(Cl)CN[C@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001480773566 1063324629 /nfs/dbraw/zinc/32/46/29/1063324629.db2.gz KMFVHTZLKVRRLC-CQSZACIVSA-N 1 3 313.873 2.099 20 30 DEEDHO C=C(C)C[NH2+][C@H](CNC(=O)CN(C)C(C)C)c1ccccc1 ZINC001493905312 1064018367 /nfs/dbraw/zinc/01/83/67/1064018367.db2.gz NFGQQSRZNQCWND-QGZVFWFLSA-N 1 3 303.450 2.350 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001494054936 1064105946 /nfs/dbraw/zinc/10/59/46/1064105946.db2.gz LRFMSJCJNWFVSE-IAGOWNOFSA-N 1 3 307.482 2.123 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001494054936 1064105950 /nfs/dbraw/zinc/10/59/50/1064105950.db2.gz LRFMSJCJNWFVSE-IAGOWNOFSA-N 1 3 307.482 2.123 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001494082462 1064118177 /nfs/dbraw/zinc/11/81/77/1064118177.db2.gz GXUGNTMIVXCBAV-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001494082462 1064118180 /nfs/dbraw/zinc/11/81/80/1064118180.db2.gz GXUGNTMIVXCBAV-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[NH2+]CCC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001568094316 1064643104 /nfs/dbraw/zinc/64/31/04/1064643104.db2.gz YIJWUOOAKVPDCL-MRXNPFEDSA-N 1 3 307.482 2.123 20 30 DEEDHO CC#CC[NH2+]C1(CNC(=O)[C@H](C)N2CCCCCC2)CCCC1 ZINC001568244413 1064725349 /nfs/dbraw/zinc/72/53/49/1064725349.db2.gz KWSSOSYOIQQTKZ-KRWDZBQOSA-N 1 3 319.493 2.293 20 30 DEEDHO CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)C(C)(C)N1CCCCC1 ZINC001568329370 1064782064 /nfs/dbraw/zinc/78/20/64/1064782064.db2.gz WYQLPCJHRHXEDZ-KRWDZBQOSA-N 1 3 321.509 2.395 20 30 DEEDHO CC#CC[NH2+]C[C@@H](NC(=O)CN1CC[C@H](C)C1)C1CCCCC1 ZINC001568346780 1064795215 /nfs/dbraw/zinc/79/52/15/1064795215.db2.gz NXQAVAQNXAUXCB-FUHWJXTLSA-N 1 3 319.493 2.006 20 30 DEEDHO C#CCC[NH2+]CCC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001495430264 1064901265 /nfs/dbraw/zinc/90/12/65/1064901265.db2.gz IJEXPSULEDNFEM-UHFFFAOYSA-N 1 3 321.509 2.206 20 30 DEEDHO C#CCN1CCC[C@](C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001569723317 1065692138 /nfs/dbraw/zinc/69/21/38/1065692138.db2.gz UOYPDNKCDUBVHY-IEBWSBKVSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H](CC)N(C)C)cc1 ZINC001570031329 1065894310 /nfs/dbraw/zinc/89/43/10/1065894310.db2.gz MDSLEMKCQFNQNN-RHSMWYFYSA-N 1 3 303.450 2.480 20 30 DEEDHO C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001497677858 1066231781 /nfs/dbraw/zinc/23/17/81/1066231781.db2.gz BTBVFXAKIIAIGP-JTGQJZMRSA-N 1 3 311.445 2.037 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001497989570 1066448296 /nfs/dbraw/zinc/44/82/96/1066448296.db2.gz CGFPGILACRBKCP-IAGOWNOFSA-N 1 3 321.509 2.108 20 30 DEEDHO C=CCC[NH+]1CCC([C@H](C)NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001571650563 1068459519 /nfs/dbraw/zinc/45/95/19/1068459519.db2.gz XSXYVEYDJVQLJZ-HOTGVXAUSA-N 1 3 307.482 2.121 20 30 DEEDHO C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267460460 1078870110 /nfs/dbraw/zinc/87/01/10/1078870110.db2.gz VUMJCVACXNNPBI-QZTJIDSGSA-N 1 3 319.493 2.195 20 30 DEEDHO C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001267460460 1078870115 /nfs/dbraw/zinc/87/01/15/1078870115.db2.gz VUMJCVACXNNPBI-QZTJIDSGSA-N 1 3 319.493 2.195 20 30 DEEDHO CC#CCN1CCC2(CCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001483836490 1079151214 /nfs/dbraw/zinc/15/12/14/1079151214.db2.gz AQOYWSQEPXOVQM-UHFFFAOYSA-N 1 3 319.493 2.056 20 30 DEEDHO C=CC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001566894242 1075376727 /nfs/dbraw/zinc/37/67/27/1075376727.db2.gz XXEVDYYOHUOPCC-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001567167897 1075451104 /nfs/dbraw/zinc/45/11/04/1075451104.db2.gz RIOARYLMMHBZTL-JKSUJKDBSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CCN(C)Cc1ccccc1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001272681805 1079538605 /nfs/dbraw/zinc/53/86/05/1079538605.db2.gz BVVCPSCFMREDCE-INIZCTEOSA-N 1 3 315.461 2.262 20 30 DEEDHO C=CCN(C)Cc1ccccc1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001272681805 1079538609 /nfs/dbraw/zinc/53/86/09/1079538609.db2.gz BVVCPSCFMREDCE-INIZCTEOSA-N 1 3 315.461 2.262 20 30 DEEDHO C=C(C)C[NH2+]Cc1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001267938653 1079619991 /nfs/dbraw/zinc/61/99/91/1079619991.db2.gz FBVWRJYJYBEFBX-MRXNPFEDSA-N 1 3 315.461 2.310 20 30 DEEDHO C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)CC(C)(C)C ZINC001656571296 1080103341 /nfs/dbraw/zinc/10/33/41/1080103341.db2.gz OGHMUZMVLGHTPV-SJORKVTESA-N 1 3 321.509 2.204 20 30 DEEDHO C#CCC[NH2+]CC1(NC(=O)CN2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001485458667 1080227210 /nfs/dbraw/zinc/22/72/10/1080227210.db2.gz DFGSGIPYIBRQFP-CALCHBBNSA-N 1 3 319.493 2.291 20 30 DEEDHO C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001485662810 1080354212 /nfs/dbraw/zinc/35/42/12/1080354212.db2.gz NTNJVEVSLMJBCA-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001485662810 1080354219 /nfs/dbraw/zinc/35/42/19/1080354219.db2.gz NTNJVEVSLMJBCA-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001481729504 1080397144 /nfs/dbraw/zinc/39/71/44/1080397144.db2.gz WDSUEACAXKQUOO-SJORKVTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001481729504 1080397153 /nfs/dbraw/zinc/39/71/53/1080397153.db2.gz WDSUEACAXKQUOO-SJORKVTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001661236037 1080461899 /nfs/dbraw/zinc/46/18/99/1080461899.db2.gz SCLYJKFRMZSWSP-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001661236037 1080461903 /nfs/dbraw/zinc/46/19/03/1080461903.db2.gz SCLYJKFRMZSWSP-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001661598522 1080498533 /nfs/dbraw/zinc/49/85/33/1080498533.db2.gz YCHCOJBQUREPRH-NXOAAHMSSA-N 1 3 307.482 2.451 20 30 DEEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCC1 ZINC001268988380 1081076779 /nfs/dbraw/zinc/07/67/79/1081076779.db2.gz PSPWTJKNXARUNU-IRXDYDNUSA-N 1 3 305.466 2.114 20 30 DEEDHO C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001667285477 1081233509 /nfs/dbraw/zinc/23/35/09/1081233509.db2.gz SBIPJVFWAGRPGN-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]CC2CCCCC2)CC1 ZINC001669750449 1081465318 /nfs/dbraw/zinc/46/53/18/1081465318.db2.gz KFUCHNBLYHRNJP-INIZCTEOSA-N 1 3 319.493 2.006 20 30 DEEDHO C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1[C@H](C)CC[C@@H]1C)C2 ZINC001672355989 1081586754 /nfs/dbraw/zinc/58/67/54/1081586754.db2.gz MTXLXGBSPRFDCD-IJTOGUNISA-N 1 3 319.493 2.404 20 30 DEEDHO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1[C@H](C)CC[C@@H]1C)C2 ZINC001672355989 1081586761 /nfs/dbraw/zinc/58/67/61/1081586761.db2.gz MTXLXGBSPRFDCD-IJTOGUNISA-N 1 3 319.493 2.404 20 30 DEEDHO C=CC[N@@H+](CC)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001674353623 1081863715 /nfs/dbraw/zinc/86/37/15/1081863715.db2.gz QIIYPHDAMJPPMS-UHFFFAOYSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CC[N@H+](CC)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001674353623 1081863728 /nfs/dbraw/zinc/86/37/28/1081863728.db2.gz QIIYPHDAMJPPMS-UHFFFAOYSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCC[NH2+]C[C@H](NC(=O)Cc1nc[nH]c1C)C1CCCCC1 ZINC001271353302 1082017798 /nfs/dbraw/zinc/01/77/98/1082017798.db2.gz CGMWTKQDHXXAAY-KRWDZBQOSA-N 1 3 318.465 2.491 20 30 DEEDHO C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001266466394 1082055472 /nfs/dbraw/zinc/05/54/72/1082055472.db2.gz NYMUGPZSJHDMCH-QZTJIDSGSA-N 1 3 321.509 2.465 20 30 DEEDHO C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001266466394 1082055476 /nfs/dbraw/zinc/05/54/76/1082055476.db2.gz NYMUGPZSJHDMCH-QZTJIDSGSA-N 1 3 321.509 2.465 20 30 DEEDHO C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001271499482 1082064015 /nfs/dbraw/zinc/06/40/15/1082064015.db2.gz MUFFOABJPJMQOH-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN1C[C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001272091478 1082461873 /nfs/dbraw/zinc/46/18/73/1082461873.db2.gz VNFRLZPKMNGPEY-ZWKOTPCHSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCCN1C)C(C)C ZINC001409767632 1083047758 /nfs/dbraw/zinc/04/77/58/1083047758.db2.gz HVXXWDMTFGSBJP-GJZGRUSLSA-N 1 3 315.889 2.296 20 30 DEEDHO C=CCCCCCN1CC[C@H]2C[C@]21C(=O)NC1CC[NH+](C)CC1 ZINC001277151975 1083813107 /nfs/dbraw/zinc/81/31/07/1083813107.db2.gz NYDSIZOSJUXQQY-QFBILLFUSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001486129616 1085078809 /nfs/dbraw/zinc/07/88/09/1085078809.db2.gz NKVBHEJKDVOUJL-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC000961379910 1085711616 /nfs/dbraw/zinc/71/16/16/1085711616.db2.gz WREFQBZFCNZUKZ-ZWKOTPCHSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC000961379910 1085711623 /nfs/dbraw/zinc/71/16/23/1085711623.db2.gz WREFQBZFCNZUKZ-ZWKOTPCHSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963366077 1086428630 /nfs/dbraw/zinc/42/86/30/1086428630.db2.gz JEEWSJYUBOVHFO-NVXWUHKLSA-N 1 3 316.449 2.231 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963366077 1086428636 /nfs/dbraw/zinc/42/86/36/1086428636.db2.gz JEEWSJYUBOVHFO-NVXWUHKLSA-N 1 3 316.449 2.231 20 30 DEEDHO C=CC[NH2+]C1CCC(N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000963902560 1086592104 /nfs/dbraw/zinc/59/21/04/1086592104.db2.gz MGMAAJAJNRTLRS-UHFFFAOYSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001080017509 1088567358 /nfs/dbraw/zinc/56/73/58/1088567358.db2.gz MCMYFFNUJASQEU-BRWVUGGUSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001080017509 1088567365 /nfs/dbraw/zinc/56/73/65/1088567365.db2.gz MCMYFFNUJASQEU-BRWVUGGUSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(Cl)CNCC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001273205103 1089978537 /nfs/dbraw/zinc/97/85/37/1089978537.db2.gz SXPFXGOVUIKNJU-CQSZACIVSA-N 1 3 301.862 2.099 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001276100220 1091549969 /nfs/dbraw/zinc/54/99/69/1091549969.db2.gz ZNDXHOJSKBVMNE-HNNXBMFYSA-N 1 3 315.889 2.297 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001276100220 1091549977 /nfs/dbraw/zinc/54/99/77/1091549977.db2.gz ZNDXHOJSKBVMNE-HNNXBMFYSA-N 1 3 315.889 2.297 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC000948767714 1091924756 /nfs/dbraw/zinc/92/47/56/1091924756.db2.gz ZRNIZCODWHIATH-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC000948767714 1091924772 /nfs/dbraw/zinc/92/47/72/1091924772.db2.gz ZRNIZCODWHIATH-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C#CCN1CCC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829405 1091960296 /nfs/dbraw/zinc/96/02/96/1091960296.db2.gz MMVPTXHADPJNEK-ZWKOTPCHSA-N 1 3 319.493 2.197 20 30 DEEDHO C#CCCC[NH+]1CCC2(CCN(Cc3cc(C)nn3C)C2)CC1 ZINC001275978405 1092427725 /nfs/dbraw/zinc/42/77/25/1092427725.db2.gz OCXCBTHHTMACCQ-UHFFFAOYSA-N 1 3 314.477 2.430 20 30 DEEDHO C#CC[NH2+]C[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C1CCCC1 ZINC001278276890 1138872607 /nfs/dbraw/zinc/87/26/07/1138872607.db2.gz ZCJBWZQUIQPPFL-AEFFLSMTSA-N 1 3 319.493 2.149 20 30 DEEDHO CCCCCCCNC(=S)NCCCN(C)CCC[NH3+] ZINC001239376399 1139031206 /nfs/dbraw/zinc/03/12/06/1139031206.db2.gz UZVTYZKCRLEXBJ-UHFFFAOYSA-N 1 3 302.532 2.092 20 30 DEEDHO CCCCCCCCNC(=S)NCCCN(C)CCC[NH3+] ZINC001239375353 1139031742 /nfs/dbraw/zinc/03/17/42/1139031742.db2.gz HOHVKNQRMAHMLA-UHFFFAOYSA-N 1 3 316.559 2.482 20 30 DEEDHO C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001491759270 1140299587 /nfs/dbraw/zinc/29/95/87/1140299587.db2.gz TYFMZFVXCAKEEG-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO CCCCCCC[C@@H](C)[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246624043 1141008607 /nfs/dbraw/zinc/00/86/07/1141008607.db2.gz DGPJHBRVNYLNOR-CRAIPNDOSA-N 1 3 307.482 2.147 20 30 DEEDHO CCCCCCC[C@@H](C)[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246624043 1141008621 /nfs/dbraw/zinc/00/86/21/1141008621.db2.gz DGPJHBRVNYLNOR-CRAIPNDOSA-N 1 3 307.482 2.147 20 30 DEEDHO C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CCCC1 ZINC001324470899 1142084002 /nfs/dbraw/zinc/08/40/02/1142084002.db2.gz TXWAOXADEZVQBL-ROUUACIJSA-N 1 3 319.493 2.147 20 30 DEEDHO CN1CCN(Cc2cccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)c2)CC1 ZINC001254638783 1143293468 /nfs/dbraw/zinc/29/34/68/1143293468.db2.gz QLWXXHCMKSLDDG-VQIMIIECSA-N 1 3 312.461 2.216 20 30 DEEDHO CCCCCCCC[C@@H](N)C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC001341768088 1143698523 /nfs/dbraw/zinc/69/85/23/1143698523.db2.gz PEAVLPUMFJPSSB-SOUVJXGZSA-N 1 3 301.450 2.223 20 30 DEEDHO C=C(C)CN1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001264176790 1144495224 /nfs/dbraw/zinc/49/52/24/1144495224.db2.gz OICRIZLBOHONPE-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001280308900 1144835408 /nfs/dbraw/zinc/83/54/08/1144835408.db2.gz WNHBTVHYWUWQET-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO CC#CCN1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001281565897 1144897742 /nfs/dbraw/zinc/89/77/42/1144897742.db2.gz AMOQFOCHBWMIMA-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001283557120 1145518147 /nfs/dbraw/zinc/51/81/47/1145518147.db2.gz OOGJKPQZGPPTCE-SFHVURJKSA-N 1 3 315.461 2.374 20 30 DEEDHO CCN1CCC([N@@H+]2CCCN([C@@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC001364739108 1145528233 /nfs/dbraw/zinc/52/82/33/1145528233.db2.gz XNEPUFYUTMGPIR-FUHWJXTLSA-N 1 3 304.482 2.171 20 30 DEEDHO CCN1CCC([N@H+]2CCCN([C@@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC001364739108 1145528239 /nfs/dbraw/zinc/52/82/39/1145528239.db2.gz XNEPUFYUTMGPIR-FUHWJXTLSA-N 1 3 304.482 2.171 20 30 DEEDHO C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001316997427 1147646685 /nfs/dbraw/zinc/64/66/85/1147646685.db2.gz FIJJTTOFWMGGOU-OAHLLOKOSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001317036568 1147650942 /nfs/dbraw/zinc/65/09/42/1147650942.db2.gz GVMCVHDIPJDUGI-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001317036568 1147650944 /nfs/dbraw/zinc/65/09/44/1147650944.db2.gz GVMCVHDIPJDUGI-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)C(C)C)C2 ZINC001325641970 1147973196 /nfs/dbraw/zinc/97/31/96/1147973196.db2.gz BZLIBCMPUNBJRU-BJWYYQGGSA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)C(C)C)C2 ZINC001325641970 1147973201 /nfs/dbraw/zinc/97/32/01/1147973201.db2.gz BZLIBCMPUNBJRU-BJWYYQGGSA-N 1 3 307.482 2.262 20 30 DEEDHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccnc(C#N)c2)[C@@H](C)C1 ZINC000615796990 362705644 /nfs/dbraw/zinc/70/56/44/362705644.db2.gz JVHHHNXQMOOKCP-MAUKXSAKSA-N 1 3 316.449 2.180 20 30 DEEDHO CC[N@H+](CCCNC(=O)[C@H](N)CCCC#N)C1CCCCC1 ZINC000593915188 358171975 /nfs/dbraw/zinc/17/19/75/358171975.db2.gz SCUPLYOFDXPFOA-MRXNPFEDSA-N 1 3 308.470 2.168 20 30 DEEDHO CC[N@@H+](CCCNC(=O)[C@H](N)CCCC#N)C1CCCCC1 ZINC000593915188 358171978 /nfs/dbraw/zinc/17/19/78/358171978.db2.gz SCUPLYOFDXPFOA-MRXNPFEDSA-N 1 3 308.470 2.168 20 30 DEEDHO C[C@@H]1C[C@H](CN2CCN(c3ccsc3C#N)CC2)CC[NH2+]1 ZINC000594735714 358328770 /nfs/dbraw/zinc/32/87/70/358328770.db2.gz NKNHOODBZYYPMF-ZIAGYGMSSA-N 1 3 304.463 2.130 20 30 DEEDHO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H](O)CN1CCCC1 ZINC000619508225 363813978 /nfs/dbraw/zinc/81/39/78/363813978.db2.gz VRTINICRXSUSDE-IEBWSBKVSA-N 1 3 313.445 2.372 20 30 DEEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H](O)CN1CCCC1 ZINC000619508224 363814125 /nfs/dbraw/zinc/81/41/25/363814125.db2.gz VRTINICRXSUSDE-HKUYNNGSSA-N 1 3 313.445 2.372 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000458327404 248263548 /nfs/dbraw/zinc/26/35/48/248263548.db2.gz WEFFZXZUMRYLEZ-MRXNPFEDSA-N 1 3 322.497 2.058 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000458327404 248263554 /nfs/dbraw/zinc/26/35/54/248263554.db2.gz WEFFZXZUMRYLEZ-MRXNPFEDSA-N 1 3 322.497 2.058 20 30 DEEDHO C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001354500963 1151899465 /nfs/dbraw/zinc/89/94/65/1151899465.db2.gz XEQOQFREWZJHIW-ROUUACIJSA-N 1 3 315.461 2.369 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000236684261 402373930 /nfs/dbraw/zinc/37/39/30/402373930.db2.gz ZANUKXNTOANBPX-BRWVUGGUSA-N 1 3 307.482 2.319 20 30 DEEDHO C=CCN1CCC(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000171723081 402615116 /nfs/dbraw/zinc/61/51/16/402615116.db2.gz RASMFLQOEFRPFQ-JKSUJKDBSA-N 1 3 322.497 2.056 20 30 DEEDHO C=CCN1CCC(NC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000171723081 402615118 /nfs/dbraw/zinc/61/51/18/402615118.db2.gz RASMFLQOEFRPFQ-JKSUJKDBSA-N 1 3 322.497 2.056 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000280674427 403026080 /nfs/dbraw/zinc/02/60/80/403026080.db2.gz YUJNZAWMRDZTJY-KKUMJFAQSA-N 1 3 318.440 2.460 20 30 DEEDHO C#CCCCN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285895346 403405500 /nfs/dbraw/zinc/40/55/00/403405500.db2.gz KCUTYNAAWWFSHA-FQEVSTJZSA-N 1 3 311.473 2.292 20 30 DEEDHO C#CCCCN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285895346 403405504 /nfs/dbraw/zinc/40/55/04/403405504.db2.gz KCUTYNAAWWFSHA-FQEVSTJZSA-N 1 3 311.473 2.292 20 30 DEEDHO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CCCN(C)CCN(C)C ZINC000289360623 403927265 /nfs/dbraw/zinc/92/72/65/403927265.db2.gz HGCWSBDCBBUINB-MRXNPFEDSA-N 1 3 302.466 2.435 20 30 DEEDHO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCCN(C)CCN(C)C ZINC000289360623 403927272 /nfs/dbraw/zinc/92/72/72/403927272.db2.gz HGCWSBDCBBUINB-MRXNPFEDSA-N 1 3 302.466 2.435 20 30 DEEDHO CC[C@@H](NCC#CC[NH2+][C@@H](CC)[C@@H]1CCCO1)[C@H]1CCCO1 ZINC000350725398 404450604 /nfs/dbraw/zinc/45/06/04/404450604.db2.gz WLBZBAPWBUVGCM-USTZCAOPSA-N 1 3 308.466 2.084 20 30 DEEDHO CC[C@@H]([NH2+]CC#CCN[C@@H](CC)[C@@H]1CCCO1)[C@H]1CCCO1 ZINC000350725398 404450608 /nfs/dbraw/zinc/45/06/08/404450608.db2.gz WLBZBAPWBUVGCM-USTZCAOPSA-N 1 3 308.466 2.084 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000358980010 404780247 /nfs/dbraw/zinc/78/02/47/404780247.db2.gz NTPPHEDQTMHANI-UHFFFAOYSA-N 1 3 322.497 2.154 20 30 DEEDHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424149556 405022530 /nfs/dbraw/zinc/02/25/30/405022530.db2.gz WRIDPHAQTSUVDV-HRCADAONSA-N 1 3 308.470 2.024 20 30 DEEDHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC000354100179 405043625 /nfs/dbraw/zinc/04/36/25/405043625.db2.gz KEMORMVHZBINSV-GOSISDBHSA-N 1 3 301.434 2.491 20 30 DEEDHO COc1cc(C[NH2+]CCCN2CCCO[C@H](C)C2)ccc1C#N ZINC000440624100 405320136 /nfs/dbraw/zinc/32/01/36/405320136.db2.gz MKMRKFQEISNKND-OAHLLOKOSA-N 1 3 317.433 2.157 20 30 DEEDHO N#CCCCC[C@@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001355067118 1151977693 /nfs/dbraw/zinc/97/76/93/1151977693.db2.gz QJYHJIGNSRANSG-DOTOQJQBSA-N 1 3 320.481 2.026 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)C(C)C ZINC000653110489 425408108 /nfs/dbraw/zinc/40/81/08/425408108.db2.gz KGXNYFFMOLDUSM-OKZBNKHCSA-N 1 3 319.493 2.332 20 30 DEEDHO C[NH+]=C(NCC(C)(C)N1CCC[C@H](C)C1)N(C)C[C@H]1CCOC1 ZINC000261730944 526348197 /nfs/dbraw/zinc/34/81/97/526348197.db2.gz YEGYFSDMIFAECC-JKSUJKDBSA-N 1 3 324.513 2.041 20 30 DEEDHO C[NH+]=C(NCc1ncccc1C)NC1C[C@H]2CCC[C@@H](C1)N2C ZINC000262815878 526391042 /nfs/dbraw/zinc/39/10/42/526391042.db2.gz WLZIUPDBJILSBM-MQVJKMGUSA-N 1 3 315.465 2.070 20 30 DEEDHO C#CCN(C)CCC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000294909087 526830403 /nfs/dbraw/zinc/83/04/03/526830403.db2.gz GCXCXLDPNBNCTA-QGZVFWFLSA-N 1 3 317.477 2.233 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1cccnc1)C(C)C ZINC000267595749 529073376 /nfs/dbraw/zinc/07/33/76/529073376.db2.gz VZEDGSNCWQRILI-IAGOWNOFSA-N 1 3 317.481 2.210 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nc(C(C)(C)C)cs1 ZINC000267393858 529100537 /nfs/dbraw/zinc/10/05/37/529100537.db2.gz DNLHJWSNWFHZGB-LBPRGKRZSA-N 1 3 323.510 2.329 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Cc1cccs1 ZINC000267436120 529101378 /nfs/dbraw/zinc/10/13/78/529101378.db2.gz NUWWQIIYHHYSKD-KBPBESRZSA-N 1 3 308.495 2.315 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001379162039 1152584163 /nfs/dbraw/zinc/58/41/63/1152584163.db2.gz YXPUPMGHYIUVMT-UONOGXRCSA-N 1 3 313.873 2.098 20 30 DEEDHO C=CCC[NH+]1CC([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000970911649 623786163 /nfs/dbraw/zinc/78/61/63/623786163.db2.gz BAHNDWYYJYTDOG-HNNXBMFYSA-N 1 3 315.461 2.374 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001022710569 624860113 /nfs/dbraw/zinc/86/01/13/624860113.db2.gz KCCDWSHQSHKNGI-VBQJREDUSA-N 1 3 311.445 2.012 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001023402665 625255668 /nfs/dbraw/zinc/25/56/68/625255668.db2.gz QKUAZRXWHVUIGN-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001023402665 625255671 /nfs/dbraw/zinc/25/56/71/625255671.db2.gz QKUAZRXWHVUIGN-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001024613949 625930109 /nfs/dbraw/zinc/93/01/09/625930109.db2.gz DVBXVRFCADQDSP-ROUUACIJSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001024613949 625930114 /nfs/dbraw/zinc/93/01/14/625930114.db2.gz DVBXVRFCADQDSP-ROUUACIJSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CC1(C)C ZINC000996381371 633250949 /nfs/dbraw/zinc/25/09/49/633250949.db2.gz VBPZTZAOOPDYFK-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC(C)C)C2)CC1 ZINC000981540554 635522405 /nfs/dbraw/zinc/52/24/05/635522405.db2.gz DTZCLGUSKUAGKD-MSOLQXFVSA-N 1 3 319.493 2.005 20 30 DEEDHO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC000981841448 635684382 /nfs/dbraw/zinc/68/43/82/635684382.db2.gz CRBQRMYKRHSIAS-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC000981841448 635684383 /nfs/dbraw/zinc/68/43/83/635684383.db2.gz CRBQRMYKRHSIAS-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[NH+]1CCC(NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001003736430 636042092 /nfs/dbraw/zinc/04/20/92/636042092.db2.gz RMWLDHFPTYJKJX-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000764578292 640657504 /nfs/dbraw/zinc/65/75/04/640657504.db2.gz RIMNCYFCHVUINL-QGZVFWFLSA-N 1 3 315.461 2.227 20 30 DEEDHO C=C(C)CC[N@H+]1CCCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000989728099 641211442 /nfs/dbraw/zinc/21/14/42/641211442.db2.gz AXBUEENHJYGJQW-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1CCCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000989728099 641211446 /nfs/dbraw/zinc/21/14/46/641211446.db2.gz AXBUEENHJYGJQW-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000900333569 642323447 /nfs/dbraw/zinc/32/34/47/642323447.db2.gz BXPONDIJYYPRQO-FUHWJXTLSA-N 1 3 315.461 2.446 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000900684739 642444057 /nfs/dbraw/zinc/44/40/57/642444057.db2.gz FNWHCSNAEVUTIJ-UHFFFAOYSA-N 1 3 319.449 2.210 20 30 DEEDHO N#Cc1ccc(CN2CCC(N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC2)cc1 ZINC000902475333 643042355 /nfs/dbraw/zinc/04/23/55/643042355.db2.gz IUILIOJCMGQSRI-CEXWTWQISA-N 1 3 310.445 2.005 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000911913800 645877061 /nfs/dbraw/zinc/87/70/61/645877061.db2.gz GSWSTNIIHFPJET-IBGZPJMESA-N 1 3 315.461 2.275 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1c(C)cccc1C ZINC000153437603 647462101 /nfs/dbraw/zinc/46/21/01/647462101.db2.gz QHCLFNPBZFQBLR-MRXNPFEDSA-N 1 3 302.466 2.235 20 30 DEEDHO C#CCCN1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000994134672 647791954 /nfs/dbraw/zinc/79/19/54/647791954.db2.gz PORDLELOVZQWKD-WMZOPIPTSA-N 1 3 319.493 2.099 20 30 DEEDHO CC#CCN1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947881712 648509304 /nfs/dbraw/zinc/50/93/04/648509304.db2.gz HNKLHESVMFLYFD-WMZOPIPTSA-N 1 3 319.493 2.099 20 30 DEEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)C(C)(C)C1 ZINC000940785077 648941535 /nfs/dbraw/zinc/94/15/35/648941535.db2.gz HBFGFMLNZGVSJO-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)C(C)(C)C1 ZINC000940785077 648941536 /nfs/dbraw/zinc/94/15/36/648941536.db2.gz HBFGFMLNZGVSJO-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCSCC(C)C ZINC000305286474 685286993 /nfs/dbraw/zinc/28/69/93/685286993.db2.gz FDVXWRYYCRICIZ-CQSZACIVSA-N 1 3 300.516 2.154 20 30 DEEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001054154761 693865355 /nfs/dbraw/zinc/86/53/55/693865355.db2.gz VOUWVMYPWWNNCE-SJLPKXTDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001054154761 693865356 /nfs/dbraw/zinc/86/53/56/693865356.db2.gz VOUWVMYPWWNNCE-SJLPKXTDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001054191937 693876240 /nfs/dbraw/zinc/87/62/40/693876240.db2.gz PDTRJKYTAOWKLH-IEBWSBKVSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001054191937 693876241 /nfs/dbraw/zinc/87/62/41/693876241.db2.gz PDTRJKYTAOWKLH-IEBWSBKVSA-N 1 3 321.509 2.463 20 30 DEEDHO CCO[C@H](CCNC(=[NH2+])NC[C@H]1CCCN1CC)C1CCCC1 ZINC000304473881 685255232 /nfs/dbraw/zinc/25/52/32/685255232.db2.gz FUSPKGBQBFCNAR-IAGOWNOFSA-N 1 3 324.513 2.360 20 30 DEEDHO C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001016761221 687697846 /nfs/dbraw/zinc/69/78/46/687697846.db2.gz HZGBMZNREPUXQM-MRXNPFEDSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000876712904 689912087 /nfs/dbraw/zinc/91/20/87/689912087.db2.gz FEUPLTLMJLRTRP-MRXNPFEDSA-N 1 3 321.852 2.369 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000876724706 689916211 /nfs/dbraw/zinc/91/62/11/689916211.db2.gz GKGDLYFYULXAKU-ZIAGYGMSSA-N 1 3 301.862 2.227 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000876724706 689916213 /nfs/dbraw/zinc/91/62/13/689916213.db2.gz GKGDLYFYULXAKU-ZIAGYGMSSA-N 1 3 301.862 2.227 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000876778982 689934867 /nfs/dbraw/zinc/93/48/67/689934867.db2.gz UBDMHHHTKFYENS-ZBFHGGJFSA-N 1 3 323.868 2.483 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000876778982 689934870 /nfs/dbraw/zinc/93/48/70/689934870.db2.gz UBDMHHHTKFYENS-ZBFHGGJFSA-N 1 3 323.868 2.483 20 30 DEEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000876875741 689961032 /nfs/dbraw/zinc/96/10/32/689961032.db2.gz YYHWHJIBADKTSB-HOTGVXAUSA-N 1 3 321.852 2.189 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000877200374 690043612 /nfs/dbraw/zinc/04/36/12/690043612.db2.gz KSHQIAKEHZLDPY-AWEZNQCLSA-N 1 3 301.862 2.083 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000877298951 690070791 /nfs/dbraw/zinc/07/07/91/690070791.db2.gz GZQHDJAVPMAKJY-CQSZACIVSA-N 1 3 313.873 2.323 20 30 DEEDHO 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C=CCN1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042063532 691495265 /nfs/dbraw/zinc/49/52/65/691495265.db2.gz YNYFLAYSTTUAMC-DLBZAZTESA-N 1 3 319.493 2.360 20 30 DEEDHO N#Cc1ccc(NCCN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)nc1 ZINC000925894258 693361441 /nfs/dbraw/zinc/36/14/41/693361441.db2.gz VPVVTJHYXNQNDC-ZWKOTPCHSA-N 1 3 321.428 2.448 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001052367844 693516017 /nfs/dbraw/zinc/51/60/17/693516017.db2.gz BYVSQJGYHCQKIO-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001052367844 693516018 /nfs/dbraw/zinc/51/60/18/693516018.db2.gz BYVSQJGYHCQKIO-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052712291 693601163 /nfs/dbraw/zinc/60/11/63/693601163.db2.gz GRJGUGLEVOOJQS-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052712291 693601165 /nfs/dbraw/zinc/60/11/65/693601165.db2.gz GRJGUGLEVOOJQS-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001052897892 693643523 /nfs/dbraw/zinc/64/35/23/693643523.db2.gz OCIMNFMMLHNBQM-OAHLLOKOSA-N 1 3 304.438 2.198 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001052897892 693643524 /nfs/dbraw/zinc/64/35/24/693643524.db2.gz OCIMNFMMLHNBQM-OAHLLOKOSA-N 1 3 304.438 2.198 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001392197057 1156888302 /nfs/dbraw/zinc/88/83/02/1156888302.db2.gz VDZGLTXMCWDRLP-GJZGRUSLSA-N 1 3 315.889 2.297 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001407703398 1165264948 /nfs/dbraw/zinc/26/49/48/1165264948.db2.gz TXNYYQKVGLBWKG-SHTZXODSSA-N 1 3 315.889 2.344 20 30 DEEDHO C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001438805699 1180818353 /nfs/dbraw/zinc/81/83/53/1180818353.db2.gz QHMGXGWBSFFRDU-LSDHHAIUSA-N 1 3 315.889 2.342 20 30 DEEDHO C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001438805699 1180818356 /nfs/dbraw/zinc/81/83/56/1180818356.db2.gz QHMGXGWBSFFRDU-LSDHHAIUSA-N 1 3 315.889 2.342 20 30 DEEDHO C=C(Cl)CN[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001444880891 1183617209 /nfs/dbraw/zinc/61/72/09/1183617209.db2.gz AJBZHYCZAJVTPI-LSDHHAIUSA-N 1 3 315.889 2.344 20 30 DEEDHO C=C(Cl)CN[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC001444880891 1183617214 /nfs/dbraw/zinc/61/72/14/1183617214.db2.gz AJBZHYCZAJVTPI-LSDHHAIUSA-N 1 3 315.889 2.344 20 30 DEEDHO C=CCN1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001332221156 1149837497 /nfs/dbraw/zinc/83/74/97/1149837497.db2.gz WZZYUCNBWYAKJT-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001106340191 782662609 /nfs/dbraw/zinc/66/26/09/782662609.db2.gz OMZRXMXFOCQQED-HZPDHXFCSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106672749 782844598 /nfs/dbraw/zinc/84/45/98/782844598.db2.gz IPZYBVAJMWBLFH-HZPDHXFCSA-N 1 3 309.498 2.225 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106798525 782944058 /nfs/dbraw/zinc/94/40/58/782944058.db2.gz JGNBGIURDNXHKH-QZTJIDSGSA-N 1 3 321.509 2.369 20 30 DEEDHO C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001112524425 778483044 /nfs/dbraw/zinc/48/30/44/778483044.db2.gz NMUAGYYNHZQFIG-SCTDSRPQSA-N 1 3 321.509 2.367 20 30 DEEDHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088129273 779717204 /nfs/dbraw/zinc/71/72/04/779717204.db2.gz FUZKVMIPWUIGFH-SQNIBIBYSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088129273 779717208 /nfs/dbraw/zinc/71/72/08/779717208.db2.gz FUZKVMIPWUIGFH-SQNIBIBYSA-N 1 3 319.493 2.216 20 30 DEEDHO C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001088395045 780066491 /nfs/dbraw/zinc/06/64/91/780066491.db2.gz WBHNVYQNTNOZDU-MSOLQXFVSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001088395047 780067963 /nfs/dbraw/zinc/06/79/63/780067963.db2.gz WBHNVYQNTNOZDU-ROUUACIJSA-N 1 3 319.493 2.243 20 30 DEEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001088424667 780106467 /nfs/dbraw/zinc/10/64/67/780106467.db2.gz CLDZQDXHFCPINF-CABCVRRESA-N 1 3 313.873 2.051 20 30 DEEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001088424667 780106474 /nfs/dbraw/zinc/10/64/74/780106474.db2.gz CLDZQDXHFCPINF-CABCVRRESA-N 1 3 313.873 2.051 20 30 DEEDHO C=C(C)CN1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088621345 780659900 /nfs/dbraw/zinc/65/99/00/780659900.db2.gz ADIDSLUJYRFRFJ-IKGGRYGDSA-N 1 3 307.482 2.404 20 30 DEEDHO C=C(C)CN1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088621345 780659904 /nfs/dbraw/zinc/65/99/04/780659904.db2.gz ADIDSLUJYRFRFJ-IKGGRYGDSA-N 1 3 307.482 2.404 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948244723 783390606 /nfs/dbraw/zinc/39/06/06/783390606.db2.gz IYSIAIMGCJTLDE-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948244723 783390607 /nfs/dbraw/zinc/39/06/07/783390607.db2.gz IYSIAIMGCJTLDE-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCCN1CCCC ZINC001085389482 783666917 /nfs/dbraw/zinc/66/69/17/783666917.db2.gz KOIBZDONDAXSNR-KURKYZTESA-N 1 3 319.493 2.291 20 30 DEEDHO C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966905029 783811872 /nfs/dbraw/zinc/81/18/72/783811872.db2.gz WVCBGJRCVAHHBP-IRXDYDNUSA-N 1 3 319.493 2.265 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001095920087 785009137 /nfs/dbraw/zinc/00/91/37/785009137.db2.gz GDJQGUVDJANGGR-KSWRQPAISA-N 1 3 305.466 2.014 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001095920087 785009139 /nfs/dbraw/zinc/00/91/39/785009139.db2.gz GDJQGUVDJANGGR-KSWRQPAISA-N 1 3 305.466 2.014 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N(C)CC)CC[C@@H]1C ZINC001132937250 788231345 /nfs/dbraw/zinc/23/13/45/788231345.db2.gz IZMFQMRKKBNELJ-HOTGVXAUSA-N 1 3 309.498 2.367 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC2CCC2)CC1 ZINC001146610600 791322440 /nfs/dbraw/zinc/32/24/40/791322440.db2.gz KPWMEQRVXFTCSU-JKSUJKDBSA-N 1 3 319.493 2.005 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)CCC ZINC001099551891 792240374 /nfs/dbraw/zinc/24/03/74/792240374.db2.gz FRTXRIHMASDQBV-MLHJIOFPSA-N 1 3 319.493 2.073 20 30 DEEDHO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)CCC ZINC001099551891 792240377 /nfs/dbraw/zinc/24/03/77/792240377.db2.gz FRTXRIHMASDQBV-MLHJIOFPSA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101477553 793174353 /nfs/dbraw/zinc/17/43/53/793174353.db2.gz ZRNJLABXSFBLBU-SCTDSRPQSA-N 1 3 321.509 2.462 20 30 DEEDHO 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/nfs/dbraw/zinc/82/31/35/794823135.db2.gz YTJYAVKERMOACN-QGZVFWFLSA-N 1 3 319.493 2.293 20 30 DEEDHO C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001120402882 795453499 /nfs/dbraw/zinc/45/34/99/795453499.db2.gz SUIZCZYWNGWHJA-SJORKVTESA-N 1 3 319.493 2.053 20 30 DEEDHO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001120402882 795453502 /nfs/dbraw/zinc/45/35/02/795453502.db2.gz SUIZCZYWNGWHJA-SJORKVTESA-N 1 3 319.493 2.053 20 30 DEEDHO CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001120450041 795463217 /nfs/dbraw/zinc/46/32/17/795463217.db2.gz RSZDQAXPTZRWED-MSOLQXFVSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001120450041 795463220 /nfs/dbraw/zinc/46/32/20/795463220.db2.gz RSZDQAXPTZRWED-MSOLQXFVSA-N 1 3 319.493 2.055 20 30 DEEDHO C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001181754476 795532286 /nfs/dbraw/zinc/53/22/86/795532286.db2.gz AXUASBPJPHUNPK-HHXXYDBFSA-N 1 3 321.509 2.367 20 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C=CCN1CCC[C@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001567371419 1064167530 /nfs/dbraw/zinc/16/75/30/1064167530.db2.gz JCQJXCZKWFDSGZ-KRWDZBQOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN1CCC[C@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001567371419 1064167531 /nfs/dbraw/zinc/16/75/31/1064167531.db2.gz JCQJXCZKWFDSGZ-KRWDZBQOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCC1 ZINC001494686590 1064414915 /nfs/dbraw/zinc/41/49/15/1064414915.db2.gz WGXVTOPYVSIILN-IRXDYDNUSA-N 1 3 305.466 2.114 20 30 DEEDHO C=CCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001568368255 1064812116 /nfs/dbraw/zinc/81/21/16/1064812116.db2.gz FDHOSGANKWJTCK-SJORKVTESA-N 1 3 307.482 2.121 20 30 DEEDHO C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CCCCC1 ZINC001496316108 1065404121 /nfs/dbraw/zinc/40/41/21/1065404121.db2.gz YBWSQAIVNHCFLX-MSOLQXFVSA-N 1 3 319.493 2.147 20 30 DEEDHO C#CCN1CCC[C@](C)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001569723320 1065691608 /nfs/dbraw/zinc/69/16/08/1065691608.db2.gz 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C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1CCC)C1CCCC1 ZINC001484000889 1079236618 /nfs/dbraw/zinc/23/66/18/1079236618.db2.gz KJZRYOGZPRQDJL-IRXDYDNUSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001646806188 1074627220 /nfs/dbraw/zinc/62/72/20/1074627220.db2.gz MKFNRVMASYEIET-HIFRSBDPSA-N 1 3 313.873 2.085 20 30 DEEDHO C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001567054175 1075424009 /nfs/dbraw/zinc/42/40/09/1075424009.db2.gz LSCWLGBVDUQVJO-YOEHRIQHSA-N 1 3 313.461 2.259 20 30 DEEDHO C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001567193143 1075459663 /nfs/dbraw/zinc/45/96/63/1075459663.db2.gz OBEDLPXQCVVQSI-INIZCTEOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001567193143 1075459668 /nfs/dbraw/zinc/45/96/68/1075459668.db2.gz OBEDLPXQCVVQSI-INIZCTEOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1nc[nH]c1C ZINC001567266365 1075481867 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C=C(C)CN1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001481539696 1080028988 /nfs/dbraw/zinc/02/89/88/1080028988.db2.gz LQPLYFORLVNOFM-KRWDZBQOSA-N 1 3 307.482 2.409 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107040516 1080554173 /nfs/dbraw/zinc/55/41/73/1080554173.db2.gz IAJQPALDSCWUQQ-BRWVUGGUSA-N 1 3 309.498 2.365 20 30 DEEDHO CC#CC[NH2+]C[C@]1(NC(=O)CN(C)C(C)C)CCCC[C@H]1C ZINC001481964831 1080656639 /nfs/dbraw/zinc/65/66/39/1080656639.db2.gz TWVYRLRFJVIKOR-SJLPKXTDSA-N 1 3 307.482 2.005 20 30 DEEDHO C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001662844895 1080666283 /nfs/dbraw/zinc/66/62/83/1080666283.db2.gz JWMNQDBGFQAIQL-IRXDYDNUSA-N 1 3 309.498 2.462 20 30 DEEDHO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001662844895 1080666288 /nfs/dbraw/zinc/66/62/88/1080666288.db2.gz JWMNQDBGFQAIQL-IRXDYDNUSA-N 1 3 309.498 2.462 20 30 DEEDHO CC#CCN(C)CCCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001673457844 1080992477 /nfs/dbraw/zinc/99/24/77/1080992477.db2.gz KZLKEHKAFXTDSY-UHFFFAOYSA-N 1 3 321.509 2.302 20 30 DEEDHO C=CCC[NH2+][C@H]1CC[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001666323453 1081143829 /nfs/dbraw/zinc/14/38/29/1081143829.db2.gz PFRHFBGBZGMXBH-QAETUUGQSA-N 1 3 307.482 2.452 20 30 DEEDHO C=CCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)N2CCCCC2)CC1 ZINC001269544785 1081285062 /nfs/dbraw/zinc/28/50/62/1081285062.db2.gz SGUXCMHUEVNVAW-MRXNPFEDSA-N 1 3 307.482 2.311 20 30 DEEDHO CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCN1CCC)C(C)(C)C ZINC001284600052 1081340357 /nfs/dbraw/zinc/34/03/57/1081340357.db2.gz YJFYSJRBERPMSK-CVEARBPZSA-N 1 3 307.482 2.005 20 30 DEEDHO C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001269985047 1081417832 /nfs/dbraw/zinc/41/78/32/1081417832.db2.gz AFKHLXOVXOLUSI-ULQDDVLXSA-N 1 3 307.482 2.452 20 30 DEEDHO C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001674463457 1081875576 /nfs/dbraw/zinc/87/55/76/1081875576.db2.gz MPQJUXXMIAMHPH-MRXNPFEDSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001674463457 1081875578 /nfs/dbraw/zinc/87/55/78/1081875578.db2.gz MPQJUXXMIAMHPH-MRXNPFEDSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001674504606 1081882955 /nfs/dbraw/zinc/88/29/55/1081882955.db2.gz FYZAZWMKCFIYRZ-SJORKVTESA-N 1 3 307.482 2.073 20 30 DEEDHO C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001674504606 1081882961 /nfs/dbraw/zinc/88/29/61/1081882961.db2.gz FYZAZWMKCFIYRZ-SJORKVTESA-N 1 3 307.482 2.073 20 30 DEEDHO C#CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001271665157 1082104399 /nfs/dbraw/zinc/10/43/99/1082104399.db2.gz IQFFRMJBOUSVNS-DLBZAZTESA-N 1 3 321.509 2.204 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001266663233 1082257947 /nfs/dbraw/zinc/25/79/47/1082257947.db2.gz MACCQBQKZYIJJC-SJORKVTESA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001266663233 1082257950 /nfs/dbraw/zinc/25/79/50/1082257950.db2.gz MACCQBQKZYIJJC-SJORKVTESA-N 1 3 307.482 2.216 20 30 DEEDHO CC#CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N(C)CC)CCC[C@@H]12 ZINC001107454693 1083407968 /nfs/dbraw/zinc/40/79/68/1083407968.db2.gz JZGLLKXYBOSVDX-VQIMIIECSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N(C)CC)CCC[C@@H]12 ZINC001107454693 1083407974 /nfs/dbraw/zinc/40/79/74/1083407974.db2.gz JZGLLKXYBOSVDX-VQIMIIECSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001276382062 1083768636 /nfs/dbraw/zinc/76/86/36/1083768636.db2.gz RZGKRCICWIUBIF-OAHLLOKOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(Cl)CNCCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001168666406 1084523428 /nfs/dbraw/zinc/52/34/28/1084523428.db2.gz FFONUSBSECSZJF-CQSZACIVSA-N 1 3 303.878 2.201 20 30 DEEDHO C=C(C)C[NH2+]C1CCC(N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC000963902538 1086591945 /nfs/dbraw/zinc/59/19/45/1086591945.db2.gz LHZNYWAQSWFQSH-GTPINHCMSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC000957569195 1088417886 /nfs/dbraw/zinc/41/78/86/1088417886.db2.gz ZIPKXKZGBHDQFL-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC000957611993 1088459595 /nfs/dbraw/zinc/45/95/95/1088459595.db2.gz DOCQMLDIBJKRCO-UHFFFAOYSA-N 1 3 316.449 2.233 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@H]21 ZINC001084938955 1090530371 /nfs/dbraw/zinc/53/03/71/1090530371.db2.gz MKZQRZIVVZLASU-SQNIBIBYSA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@H]21 ZINC001084938955 1090530373 /nfs/dbraw/zinc/53/03/73/1090530373.db2.gz MKZQRZIVVZLASU-SQNIBIBYSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CN(C)CC(C)(C)C ZINC001275144026 1091581835 /nfs/dbraw/zinc/58/18/35/1091581835.db2.gz TVHATTLXFOWVFE-MRXNPFEDSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)CN(C)CC(C)(C)C ZINC001275144026 1091581842 /nfs/dbraw/zinc/58/18/42/1091581842.db2.gz TVHATTLXFOWVFE-MRXNPFEDSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCN(C)C[C@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001275161501 1091593213 /nfs/dbraw/zinc/59/32/13/1091593213.db2.gz ZTDVNQMGBKQGNN-GOSISDBHSA-N 1 3 319.493 2.217 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000948771819 1091926819 /nfs/dbraw/zinc/92/68/19/1091926819.db2.gz QPOIHYKDTWFEPD-KRWDZBQOSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[N@H+]1CCC[C@H](N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000948771819 1091926826 /nfs/dbraw/zinc/92/68/26/1091926826.db2.gz QPOIHYKDTWFEPD-KRWDZBQOSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@H+]1CCC[C@H](N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC000948886426 1091981770 /nfs/dbraw/zinc/98/17/70/1091981770.db2.gz NXVVTVBDJRRYTH-SFHVURJKSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC000948886426 1091981777 /nfs/dbraw/zinc/98/17/77/1091981777.db2.gz NXVVTVBDJRRYTH-SFHVURJKSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCCCCC)C[C@@H]2C1 ZINC001489202798 1092972098 /nfs/dbraw/zinc/97/20/98/1092972098.db2.gz NSHDJIVQCXJRQF-MSOLQXFVSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCCCCC)C[C@@H]2C1 ZINC001489202798 1092972107 /nfs/dbraw/zinc/97/21/07/1092972107.db2.gz NSHDJIVQCXJRQF-MSOLQXFVSA-N 1 3 321.509 2.465 20 30 DEEDHO C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001319411663 1093806877 /nfs/dbraw/zinc/80/68/77/1093806877.db2.gz KFOZGHZXMYCHAH-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001316661891 1139850042 /nfs/dbraw/zinc/85/00/42/1139850042.db2.gz BZVLSDGOSYZVGH-RCCFBDPRSA-N 1 3 319.493 2.147 20 30 DEEDHO C=CCC[NH2+]C[C@](C)(NC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001318684948 1140384988 /nfs/dbraw/zinc/38/49/88/1140384988.db2.gz CCLJPSCKAPHGRX-AEFFLSMTSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CC[NH2+][C@H](CNC(=O)c1cccc(CN(C)C)c1)C(C)C ZINC001319967277 1140807586 /nfs/dbraw/zinc/80/75/86/1140807586.db2.gz CXBRZNWKLFCUTN-QGZVFWFLSA-N 1 3 303.450 2.278 20 30 DEEDHO C[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CN1 ZINC001246359309 1140888112 /nfs/dbraw/zinc/88/81/12/1140888112.db2.gz AMYLCHZCLIPIKE-BEFAXECRSA-N 1 3 312.461 2.253 20 30 DEEDHO C[C@@H]1CC[C@H](NC2CCN(Cc3ccccc3C#N)CC2)C[NH2+]1 ZINC001246359309 1140888113 /nfs/dbraw/zinc/88/81/13/1140888113.db2.gz AMYLCHZCLIPIKE-BEFAXECRSA-N 1 3 312.461 2.253 20 30 DEEDHO C=CCCCN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001323287746 1141837267 /nfs/dbraw/zinc/83/72/67/1141837267.db2.gz UHIDDWFEUBTWHA-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCCN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001323287746 1141837269 /nfs/dbraw/zinc/83/72/69/1141837269.db2.gz UHIDDWFEUBTWHA-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C)CC[NH+](CC)CC)CC1 ZINC001340666215 1143393571 /nfs/dbraw/zinc/39/35/71/1143393571.db2.gz VZSQIVXFZLTZOB-MRXNPFEDSA-N 1 3 324.513 2.447 20 30 DEEDHO C=CCN(C)CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C(C)C ZINC001278911774 1143830146 /nfs/dbraw/zinc/83/01/46/1143830146.db2.gz DYGPGFRQQOZFJD-DLBZAZTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCN(C)CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C(C)C ZINC001278911774 1143830147 /nfs/dbraw/zinc/83/01/47/1143830147.db2.gz DYGPGFRQQOZFJD-DLBZAZTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=C1C[C@@H]2CC([N@H+]3CCC(=O)N(CCN(C)C)CC3)C[C@H](C1)C2 ZINC001257894929 1143958399 /nfs/dbraw/zinc/95/83/99/1143958399.db2.gz CYTHOUCTDVRUGJ-JWTNVVGKSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C1C[C@@H]2CC([N@@H+]3CCC(=O)N(CCN(C)C)CC3)C[C@H](C1)C2 ZINC001257894929 1143958402 /nfs/dbraw/zinc/95/84/02/1143958402.db2.gz CYTHOUCTDVRUGJ-JWTNVVGKSA-N 1 3 319.493 2.217 20 30 DEEDHO CC#CCN1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1CC ZINC001264071455 1144454496 /nfs/dbraw/zinc/45/44/96/1144454496.db2.gz GSLIXZXCWGPFHY-ZWKOTPCHSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001264751832 1144607101 /nfs/dbraw/zinc/60/71/01/1144607101.db2.gz POJVWLCHQKMHHO-IRXDYDNUSA-N 1 3 321.509 2.203 20 30 DEEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001264751832 1144607102 /nfs/dbraw/zinc/60/71/02/1144607102.db2.gz POJVWLCHQKMHHO-IRXDYDNUSA-N 1 3 321.509 2.203 20 30 DEEDHO C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001265374500 1144699356 /nfs/dbraw/zinc/69/93/56/1144699356.db2.gz NTCLXELOLPTGJU-IRXDYDNUSA-N 1 3 307.482 2.310 20 30 DEEDHO C=C(C)C[NH2+][C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC001265372387 1144699449 /nfs/dbraw/zinc/69/94/49/1144699449.db2.gz ICWSKGGCUQKOCX-RDJZCZTQSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCC[C@H](C)[NH+]1CC([C@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001282716231 1145142946 /nfs/dbraw/zinc/14/29/46/1145142946.db2.gz HZRGHWSYYDIYIA-GJZGRUSLSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)C[C@@H]2C1 ZINC001316758927 1147595241 /nfs/dbraw/zinc/59/52/41/1147595241.db2.gz QOPCDJSGGSVKBG-KURKYZTESA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)C[C@@H]2C1 ZINC001316758927 1147595246 /nfs/dbraw/zinc/59/52/46/1147595246.db2.gz QOPCDJSGGSVKBG-KURKYZTESA-N 1 3 321.509 2.463 20 30 DEEDHO C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001316877348 1147619232 /nfs/dbraw/zinc/61/92/32/1147619232.db2.gz JXTRXKBDBPNTID-IAGOWNOFSA-N 1 3 321.509 2.347 20 30 DEEDHO CC#CCN(CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001316927386 1147633391 /nfs/dbraw/zinc/63/33/91/1147633391.db2.gz OJCFCANGLYDTIE-GOSISDBHSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001316994387 1147645772 /nfs/dbraw/zinc/64/57/72/1147645772.db2.gz HXZBBHKOQPIFEO-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001316994387 1147645773 /nfs/dbraw/zinc/64/57/73/1147645773.db2.gz HXZBBHKOQPIFEO-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN(CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CC1 ZINC001317554417 1147724485 /nfs/dbraw/zinc/72/44/85/1147724485.db2.gz VPOKGARAZIBRCO-UHFFFAOYSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCN(CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C1CC1 ZINC001317554417 1147724487 /nfs/dbraw/zinc/72/44/87/1147724487.db2.gz VPOKGARAZIBRCO-UHFFFAOYSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001317687140 1147744482 /nfs/dbraw/zinc/74/44/82/1147744482.db2.gz QLVYUSWLUJPIDJ-WBVHZDCISA-N 1 3 309.498 2.365 20 30 DEEDHO CN(C)CCOc1cccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598719818 359304353 /nfs/dbraw/zinc/30/43/53/359304353.db2.gz JHCYVKUGJZIIDP-INIZCTEOSA-N 1 3 319.449 2.017 20 30 DEEDHO C[C@@H](CCC#N)CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000602451873 360379560 /nfs/dbraw/zinc/37/95/60/360379560.db2.gz BJBTUJWCEMIXDX-OKZBNKHCSA-N 1 3 306.498 2.417 20 30 DEEDHO C[C@@H](CCC#N)CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000602451873 360379562 /nfs/dbraw/zinc/37/95/62/360379562.db2.gz BJBTUJWCEMIXDX-OKZBNKHCSA-N 1 3 306.498 2.417 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000606682181 361032384 /nfs/dbraw/zinc/03/23/84/361032384.db2.gz TUCMMQNWOMGUGL-HNNXBMFYSA-N 1 3 322.497 2.056 20 30 DEEDHO N#Cc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000268961695 207126094 /nfs/dbraw/zinc/12/60/94/207126094.db2.gz JAOBETMVMGCYGV-RTBURBONSA-N 1 3 313.445 2.416 20 30 DEEDHO C=CC[C@H](CO)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000186687633 402454948 /nfs/dbraw/zinc/45/49/48/402454948.db2.gz BEHRQUXHXZLWQE-ZSYWTGECSA-N 1 3 300.446 2.424 20 30 DEEDHO CCSc1cc(CNC(=[NH2+])NC[C@@H]2CCCN2CC)ccn1 ZINC000186883117 402469394 /nfs/dbraw/zinc/46/93/94/402469394.db2.gz WRTVHWDDWXZQEB-AWEZNQCLSA-N 1 3 321.494 2.082 20 30 DEEDHO CC(C)CCNC(=[NH2+])NCC1CCN(c2ccncc2)CC1 ZINC000179738131 402598900 /nfs/dbraw/zinc/59/89/00/402598900.db2.gz UGARQQVEKBSUIB-UHFFFAOYSA-N 1 3 303.454 2.248 20 30 DEEDHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279393425 402938194 /nfs/dbraw/zinc/93/81/94/402938194.db2.gz AADUTPGXOVQILE-PBHICJAKSA-N 1 3 312.417 2.087 20 30 DEEDHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279393425 402938196 /nfs/dbraw/zinc/93/81/96/402938196.db2.gz AADUTPGXOVQILE-PBHICJAKSA-N 1 3 312.417 2.087 20 30 DEEDHO CCNC(NCc1ccc(OC2CCN(C)CC2)cc1)=[NH+]CC ZINC000283803335 403224912 /nfs/dbraw/zinc/22/49/12/403224912.db2.gz ATKBCSACPJZWGX-UHFFFAOYSA-N 1 3 318.465 2.235 20 30 DEEDHO CCc1cccc(NC(=[NH2+])NCCCN2CCCO[C@@H](C)C2)c1 ZINC000277179002 403197874 /nfs/dbraw/zinc/19/78/74/403197874.db2.gz CKWAUMYLISZYIX-HNNXBMFYSA-N 1 3 318.465 2.477 20 30 DEEDHO C=CCOCCCN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000348057287 404024553 /nfs/dbraw/zinc/02/45/53/404024553.db2.gz TXXJHDVCOATHRO-UHFFFAOYSA-N 1 3 309.498 2.070 20 30 DEEDHO N#CCCC[C@H](N)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000424128217 405015316 /nfs/dbraw/zinc/01/53/16/405015316.db2.gz FBXBQOLIYRETQX-KRWDZBQOSA-N 1 3 320.481 2.122 20 30 DEEDHO N#CCCC[C@H](N)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000424128217 405015320 /nfs/dbraw/zinc/01/53/20/405015320.db2.gz FBXBQOLIYRETQX-KRWDZBQOSA-N 1 3 320.481 2.122 20 30 DEEDHO C=CC[C@H](C)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000583943698 405794052 /nfs/dbraw/zinc/79/40/52/405794052.db2.gz QTWJQJAWPZZHTG-HNNXBMFYSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1)C(C)C ZINC000423330755 405764163 /nfs/dbraw/zinc/76/41/63/405764163.db2.gz GEWQWUKYSQYXRZ-BRWVUGGUSA-N 1 3 307.482 2.189 20 30 DEEDHO CC#CC[C@H](CO)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000641767587 406887475 /nfs/dbraw/zinc/88/74/75/406887475.db2.gz MBKMQJFYPDXASD-NZSAHSFTSA-N 1 3 300.446 2.403 20 30 DEEDHO CC#CC[C@H](CO)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000641767587 406887477 /nfs/dbraw/zinc/88/74/77/406887477.db2.gz MBKMQJFYPDXASD-NZSAHSFTSA-N 1 3 300.446 2.403 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)NCC1([NH3+])CCCC1)C(C)C ZINC000659437022 425603041 /nfs/dbraw/zinc/60/30/41/425603041.db2.gz YHKUDGGLWNWCJK-MRXNPFEDSA-N 1 3 322.497 2.256 20 30 DEEDHO CC(C)N1CCN(C2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC000339057961 277609354 /nfs/dbraw/zinc/60/93/54/277609354.db2.gz JSKMHFFUGHIUGQ-WMZOPIPTSA-N 1 3 304.482 2.169 20 30 DEEDHO C[C@@H]1CN(CC2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)C[C@@H](C)O1 ZINC000429684905 288153099 /nfs/dbraw/zinc/15/30/99/288153099.db2.gz NSELJFHWVRXRJG-JOCBIADPSA-N 1 3 305.466 2.500 20 30 DEEDHO CC[NH+]=C(NC[C@@H]1CCCCO1)N1CC[C@H](N2CCCCC2)C1 ZINC000262459904 280840203 /nfs/dbraw/zinc/84/02/03/280840203.db2.gz MDHFXSOEJMAFSS-IRXDYDNUSA-N 1 3 322.497 2.081 20 30 DEEDHO [NH2+]=C(NC[C@H]1CCCN1C1CCCCC1)N1CCSCC1 ZINC000262790105 303219345 /nfs/dbraw/zinc/21/93/45/303219345.db2.gz KLBWIOALQHLHDH-OAHLLOKOSA-N 1 3 310.511 2.147 20 30 DEEDHO C=CCNC(=O)[C@H](C)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121620200 337896166 /nfs/dbraw/zinc/89/61/66/337896166.db2.gz KBEMJPBQGAWDLT-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCN1CCC(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000074132532 341129535 /nfs/dbraw/zinc/12/95/35/341129535.db2.gz RJJKCRBOJJXWKC-QGZVFWFLSA-N 1 3 322.497 2.153 20 30 DEEDHO C=CCN1CCC(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000074132532 341129536 /nfs/dbraw/zinc/12/95/36/341129536.db2.gz RJJKCRBOJJXWKC-QGZVFWFLSA-N 1 3 322.497 2.153 20 30 DEEDHO C[NH+]=C(NC[C@@H]1CC=CCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000262489881 526368849 /nfs/dbraw/zinc/36/88/49/526368849.db2.gz UKKBIKUYQYQNPC-SJORKVTESA-N 1 3 304.482 2.478 20 30 DEEDHO C#C[C@H](NC(=[NH2+])NC[C@H]1CCCN1CC)c1ccc(Cl)cc1 ZINC000262231522 527314033 /nfs/dbraw/zinc/31/40/33/527314033.db2.gz ABOFHKGELCKRBL-CVEARBPZSA-N 1 3 318.852 2.403 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604147 623817527 /nfs/dbraw/zinc/81/75/27/623817527.db2.gz BGIIBEKBEZRWEG-AEFFLSMTSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604147 623817537 /nfs/dbraw/zinc/81/75/37/623817537.db2.gz BGIIBEKBEZRWEG-AEFFLSMTSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978800619 634423581 /nfs/dbraw/zinc/42/35/81/634423581.db2.gz SKHHXZHCHNOKBJ-ZJPYXAASSA-N 1 3 319.493 2.119 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978800619 634423583 /nfs/dbraw/zinc/42/35/83/634423583.db2.gz SKHHXZHCHNOKBJ-ZJPYXAASSA-N 1 3 319.493 2.119 20 30 DEEDHO C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001027628660 634334022 /nfs/dbraw/zinc/33/40/22/634334022.db2.gz HOWVTUUECPGNNF-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001027628660 634334024 /nfs/dbraw/zinc/33/40/24/634334024.db2.gz HOWVTUUECPGNNF-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCN1CCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001028333037 636133314 /nfs/dbraw/zinc/13/33/14/636133314.db2.gz IGLXXYGZEOQQSG-KRWDZBQOSA-N 1 3 301.434 2.128 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001028537248 636329636 /nfs/dbraw/zinc/32/96/36/636329636.db2.gz KOXMBPNIQGPCOC-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001028537248 636329639 /nfs/dbraw/zinc/32/96/39/636329639.db2.gz KOXMBPNIQGPCOC-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001028579551 636372264 /nfs/dbraw/zinc/37/22/64/636372264.db2.gz GVXBKDKFHHTEJT-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001028579551 636372269 /nfs/dbraw/zinc/37/22/69/636372269.db2.gz GVXBKDKFHHTEJT-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO CSC1(CN[C@H](C)c2cc(C#N)ccn2)CC[NH+](C)CC1 ZINC000902992223 643213831 /nfs/dbraw/zinc/21/38/31/643213831.db2.gz HXYVERYNMMGSFC-CYBMUJFWSA-N 1 3 304.463 2.431 20 30 DEEDHO C=CCN1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CCC[C@@H]12 ZINC000991044976 643621838 /nfs/dbraw/zinc/62/18/38/643621838.db2.gz SENJBIKSXWOVBZ-YQVWRLOYSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCN1CC[C@]2(NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)CCC[C@@H]12 ZINC000991044976 643621839 /nfs/dbraw/zinc/62/18/39/643621839.db2.gz SENJBIKSXWOVBZ-YQVWRLOYSA-N 1 3 319.493 2.264 20 30 DEEDHO CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c1 ZINC000817919750 647381863 /nfs/dbraw/zinc/38/18/63/647381863.db2.gz VTVWNUUMPXKDBM-PAYONLEZSA-N 1 3 317.433 2.209 20 30 DEEDHO C=CCN1CCC[C@@H](NC(=O)c2occc2CN(C)C)[C@H]1C ZINC000993699827 647733612 /nfs/dbraw/zinc/73/36/12/647733612.db2.gz ATBCNWSBDSPXNP-UKRRQHHQSA-N 1 3 305.422 2.110 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H](NC(=O)c2occc2CN(C)C)[C@H]1C ZINC000993699827 647733614 /nfs/dbraw/zinc/73/36/14/647733614.db2.gz ATBCNWSBDSPXNP-UKRRQHHQSA-N 1 3 305.422 2.110 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2occc2CN(C)C)[C@H]1C ZINC000993699827 647733616 /nfs/dbraw/zinc/73/36/16/647733616.db2.gz ATBCNWSBDSPXNP-UKRRQHHQSA-N 1 3 305.422 2.110 20 30 DEEDHO C=C(C)CN1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000993928479 647763009 /nfs/dbraw/zinc/76/30/09/647763009.db2.gz NNEZIMISYIAUHL-WBVHZDCISA-N 1 3 307.482 2.264 20 30 DEEDHO CC#CCN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000940785584 648941152 /nfs/dbraw/zinc/94/11/52/648941152.db2.gz OIHWHURKPBQCJT-SJORKVTESA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000940785584 648941155 /nfs/dbraw/zinc/94/11/55/648941155.db2.gz OIHWHURKPBQCJT-SJORKVTESA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CCC[C@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948439281 649215652 /nfs/dbraw/zinc/21/56/52/649215652.db2.gz LWPYDWNCJMXAKU-ROUUACIJSA-N 1 3 319.493 2.195 20 30 DEEDHO C#CCN1CCC[C@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948439281 649215653 /nfs/dbraw/zinc/21/56/53/649215653.db2.gz LWPYDWNCJMXAKU-ROUUACIJSA-N 1 3 319.493 2.195 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC000942555227 649245610 /nfs/dbraw/zinc/24/56/10/649245610.db2.gz GRZBPQHMOKXSHU-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC000942555227 649245612 /nfs/dbraw/zinc/24/56/12/649245612.db2.gz GRZBPQHMOKXSHU-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1cccc(C)c1 ZINC000304792559 685261883 /nfs/dbraw/zinc/26/18/83/685261883.db2.gz LCKWDTWOJWNUNG-CVEARBPZSA-N 1 3 318.465 2.151 20 30 DEEDHO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001054245493 693898935 /nfs/dbraw/zinc/89/89/35/693898935.db2.gz UFFCCLLPDIAFFI-HKUYNNGSSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001054245493 693898940 /nfs/dbraw/zinc/89/89/40/693898940.db2.gz UFFCCLLPDIAFFI-HKUYNNGSSA-N 1 3 319.493 2.361 20 30 DEEDHO C[C@@H]1CCCN(CC[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000303868919 685236925 /nfs/dbraw/zinc/23/69/25/685236925.db2.gz APZCWWOTNJAEEP-MRXNPFEDSA-N 1 3 302.466 2.426 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)c1ccc(F)cc1 ZINC000303984144 685242314 /nfs/dbraw/zinc/24/23/14/685242314.db2.gz RUMFOMAKWCAEDH-INIZCTEOSA-N 1 3 320.456 2.492 20 30 DEEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001017633368 687929123 /nfs/dbraw/zinc/92/91/23/687929123.db2.gz VYDOEMZVPWCYEZ-YESZJQIVSA-N 1 3 305.466 2.112 20 30 DEEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001017633368 687929127 /nfs/dbraw/zinc/92/91/27/687929127.db2.gz VYDOEMZVPWCYEZ-YESZJQIVSA-N 1 3 305.466 2.112 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001020340683 688506115 /nfs/dbraw/zinc/50/61/15/688506115.db2.gz VRXNNJLBZZRGKB-KKUMJFAQSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001020340683 688506117 /nfs/dbraw/zinc/50/61/17/688506117.db2.gz VRXNNJLBZZRGKB-KKUMJFAQSA-N 1 3 313.873 2.096 20 30 DEEDHO C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033932351 689665953 /nfs/dbraw/zinc/66/59/53/689665953.db2.gz LWFBDMVXRWQMKV-MSOLQXFVSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001033932351 689665954 /nfs/dbraw/zinc/66/59/54/689665954.db2.gz LWFBDMVXRWQMKV-MSOLQXFVSA-N 1 3 319.493 2.055 20 30 DEEDHO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001034204257 689761920 /nfs/dbraw/zinc/76/19/20/689761920.db2.gz LDKQVRNCSYVIHQ-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001034204257 689761923 /nfs/dbraw/zinc/76/19/23/689761923.db2.gz LDKQVRNCSYVIHQ-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CN1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340031 689814206 /nfs/dbraw/zinc/81/42/06/689814206.db2.gz LJABUFZVOLLYAO-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000876884444 689963642 /nfs/dbraw/zinc/96/36/42/689963642.db2.gz JCFVSHBYQWCPDP-ZDUSSCGKSA-N 1 3 315.870 2.108 20 30 DEEDHO C=CCC[N@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035194406 690056864 /nfs/dbraw/zinc/05/68/64/690056864.db2.gz LUOJJLPBSFNZLC-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035194406 690056868 /nfs/dbraw/zinc/05/68/68/690056868.db2.gz LUOJJLPBSFNZLC-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CN1CC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC2 ZINC001035857382 690194958 /nfs/dbraw/zinc/19/49/58/690194958.db2.gz BEVLBXCYKACZCA-IAGOWNOFSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001036737776 690453851 /nfs/dbraw/zinc/45/38/51/690453851.db2.gz WDURUJOKEMOULB-FUHWJXTLSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001036737776 690453853 /nfs/dbraw/zinc/45/38/53/690453853.db2.gz WDURUJOKEMOULB-FUHWJXTLSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001038624900 690878877 /nfs/dbraw/zinc/87/88/77/690878877.db2.gz OWZSKTVQRGWZBF-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001038624900 690878878 /nfs/dbraw/zinc/87/88/78/690878878.db2.gz OWZSKTVQRGWZBF-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCN1CC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001038815530 690932573 /nfs/dbraw/zinc/93/25/73/690932573.db2.gz FYCNKOQCAXBSOO-QGZVFWFLSA-N 1 3 301.434 2.128 20 30 DEEDHO C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001040250549 691220370 /nfs/dbraw/zinc/22/03/70/691220370.db2.gz QVVVNNDOENQHAS-WMZOPIPTSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001040250549 691220374 /nfs/dbraw/zinc/22/03/74/691220374.db2.gz QVVVNNDOENQHAS-WMZOPIPTSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040395442 691242690 /nfs/dbraw/zinc/24/26/90/691242690.db2.gz PYINEJARSARNSX-IEBWSBKVSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040395442 691242692 /nfs/dbraw/zinc/24/26/92/691242692.db2.gz PYINEJARSARNSX-IEBWSBKVSA-N 1 3 319.493 2.219 20 30 DEEDHO CC#CCN1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001052651727 693588753 /nfs/dbraw/zinc/58/87/53/693588753.db2.gz MNTIHXKTJKGDDH-ROUUACIJSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CCN1CCC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001052651727 693588754 /nfs/dbraw/zinc/58/87/54/693588754.db2.gz MNTIHXKTJKGDDH-ROUUACIJSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC001353509228 1151835241 /nfs/dbraw/zinc/83/52/41/1151835241.db2.gz WTESBXVLMAXEGN-SJORKVTESA-N 1 3 303.450 2.398 20 30 DEEDHO C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001381020498 1152893771 /nfs/dbraw/zinc/89/37/71/1152893771.db2.gz QUJGMMUNGPDPTM-CQSZACIVSA-N 1 3 315.889 2.440 20 30 DEEDHO C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001371079900 1155688089 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C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001370566571 1149811022 /nfs/dbraw/zinc/81/10/22/1149811022.db2.gz VBVPDOYWBRYGKZ-RBSFLKMASA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H](CC)N(C)C)c(F)c1 ZINC001333473421 1150055123 /nfs/dbraw/zinc/05/51/23/1150055123.db2.gz OSDDINLYNGWLTH-QGZVFWFLSA-N 1 3 321.440 2.448 20 30 DEEDHO C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001100382999 778788982 /nfs/dbraw/zinc/78/89/82/778788982.db2.gz GXCYLFXICWPCEI-OFLPRAFFSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001106910826 783420434 /nfs/dbraw/zinc/42/04/34/783420434.db2.gz QJDFHIRGFHKZPE-IXDOHACOSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001015060040 786880496 /nfs/dbraw/zinc/88/04/96/786880496.db2.gz RMFQHMGBEQIZTM-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001015060040 786880501 /nfs/dbraw/zinc/88/05/01/786880501.db2.gz RMFQHMGBEQIZTM-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001097315189 788059340 /nfs/dbraw/zinc/05/93/40/788059340.db2.gz ORKJXCMTSZBBFY-ZACQAIPSSA-N 1 3 317.477 2.160 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133345926 788375191 /nfs/dbraw/zinc/37/51/91/788375191.db2.gz IHABEUKTCLYWJQ-DLBZAZTESA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001098137692 789739900 /nfs/dbraw/zinc/73/99/00/789739900.db2.gz RRSOXEYSLHSZGT-KURKYZTESA-N 1 3 319.493 2.404 20 30 DEEDHO C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146584700 791309782 /nfs/dbraw/zinc/30/97/82/791309782.db2.gz UNEGBMSFFITSNI-CVEARBPZSA-N 1 3 315.461 2.258 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC=C)CC1 ZINC001146614571 791323685 /nfs/dbraw/zinc/32/36/85/791323685.db2.gz YPAJFVVZWMHUDD-IAGOWNOFSA-N 1 3 319.493 2.171 20 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792081862 /nfs/dbraw/zinc/08/18/62/792081862.db2.gz PNSKMOOWWMPCLD-BRWVUGGUSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001099310551 792166678 /nfs/dbraw/zinc/16/66/78/792166678.db2.gz PHHSYYMUYFACPU-HOTGVXAUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001099310551 792166684 /nfs/dbraw/zinc/16/66/84/792166684.db2.gz PHHSYYMUYFACPU-HOTGVXAUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001100383014 792621426 /nfs/dbraw/zinc/62/14/26/792621426.db2.gz HNRJXIDYMLGOAB-JCYILVPMSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(Cl)CNC1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001100418801 792638212 /nfs/dbraw/zinc/63/82/12/792638212.db2.gz GRXLFAKUWXWUFQ-YMAMQOFZSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CNC1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001100418801 792638218 /nfs/dbraw/zinc/63/82/18/792638218.db2.gz GRXLFAKUWXWUFQ-YMAMQOFZSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CNC1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001100418800 792638724 /nfs/dbraw/zinc/63/87/24/792638724.db2.gz GRXLFAKUWXWUFQ-NRXISQOPSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CNC1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001100418800 792638727 /nfs/dbraw/zinc/63/87/27/792638727.db2.gz GRXLFAKUWXWUFQ-NRXISQOPSA-N 1 3 313.873 2.098 20 30 DEEDHO C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3CCC)CCC[C@@H]12 ZINC001094430856 792916259 /nfs/dbraw/zinc/91/62/59/792916259.db2.gz XVXREKTZKUVTDL-ZHALLVOQSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3CCC)CCC[C@@H]12 ZINC001094430856 792916266 /nfs/dbraw/zinc/91/62/66/792916266.db2.gz XVXREKTZKUVTDL-ZHALLVOQSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001094922411 793443209 /nfs/dbraw/zinc/44/32/09/793443209.db2.gz CRABQCKKKIPCLM-BBWFWOEESA-N 1 3 319.493 2.406 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CCC)CC1 ZINC001176738738 794484398 /nfs/dbraw/zinc/48/43/98/794484398.db2.gz SLCZMJLUMQNDTE-INIZCTEOSA-N 1 3 307.482 2.006 20 30 DEEDHO C=C(C)CC[NH2+]CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001176890231 794524274 /nfs/dbraw/zinc/52/42/74/794524274.db2.gz NOXXXSDIFVOROY-UHFFFAOYSA-N 1 3 303.450 2.424 20 30 DEEDHO C=CC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH]cn1 ZINC001177431009 794675303 /nfs/dbraw/zinc/67/53/03/794675303.db2.gz GPDVNOLZSTTZPE-UHFFFAOYSA-N 1 3 304.438 2.137 20 30 DEEDHO C=C(Cl)C[NH2+]CCCCCCNC(=O)CN(C)CCC ZINC001180121109 795244526 /nfs/dbraw/zinc/24/45/26/795244526.db2.gz IIUGTWXHFDABMH-UHFFFAOYSA-N 1 3 303.878 2.347 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001120440902 795461323 /nfs/dbraw/zinc/46/13/23/795461323.db2.gz UXJMUOQBGQOBES-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001120440902 795461327 /nfs/dbraw/zinc/46/13/27/795461327.db2.gz UXJMUOQBGQOBES-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001183509472 795883361 /nfs/dbraw/zinc/88/33/61/795883361.db2.gz HZWVEKRSOXFSGK-SJLPKXTDSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CN(CC)CC)C[C@H]1C ZINC001185348483 796235769 /nfs/dbraw/zinc/23/57/69/796235769.db2.gz QAUBENFMIVLOPF-HIFRSBDPSA-N 1 3 315.889 2.155 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001185749540 796310023 /nfs/dbraw/zinc/31/00/23/796310023.db2.gz CJMWQCZGFVMIFT-IAGOWNOFSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC001141569219 796677269 /nfs/dbraw/zinc/67/72/69/796677269.db2.gz CMPQYOJMVILGCO-GOSISDBHSA-N 1 3 315.461 2.057 20 30 DEEDHO C=CCCC[N@H+]1CC=C(CCNC(=O)CN(C)CCC)CC1 ZINC001161758950 798931478 /nfs/dbraw/zinc/93/14/78/798931478.db2.gz VKVCKRLBXFZSCX-UHFFFAOYSA-N 1 3 307.482 2.433 20 30 DEEDHO C=CCCC[N@@H+]1CC=C(CCNC(=O)CN(C)CCC)CC1 ZINC001161758950 798931481 /nfs/dbraw/zinc/93/14/81/798931481.db2.gz VKVCKRLBXFZSCX-UHFFFAOYSA-N 1 3 307.482 2.433 20 30 DEEDHO C=C(C)CC[NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001206275714 800501449 /nfs/dbraw/zinc/50/14/49/800501449.db2.gz ZHAGYSRDRJIOPB-MRXNPFEDSA-N 1 3 307.482 2.123 20 30 DEEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211374997 801556498 /nfs/dbraw/zinc/55/64/98/801556498.db2.gz VKGSMKRUYVYXMB-ZACQAIPSSA-N 1 3 307.482 2.119 20 30 DEEDHO N#Cc1c(NC(=O)[C@@H]([NH3+])C2CCCCC2)sc2c1CCNC2 ZINC001218555320 802205001 /nfs/dbraw/zinc/20/50/01/802205001.db2.gz ZXYRKDFPTPQNAI-AWEZNQCLSA-N 1 3 318.446 2.112 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](F)CN(CC)CC ZINC001234642793 802439553 /nfs/dbraw/zinc/43/95/53/802439553.db2.gz KWWOPERXFYTIKG-JKSUJKDBSA-N 1 3 313.461 2.165 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](F)CN(CC)CC ZINC001234642793 802439556 /nfs/dbraw/zinc/43/95/56/802439556.db2.gz KWWOPERXFYTIKG-JKSUJKDBSA-N 1 3 313.461 2.165 20 30 DEEDHO C=CC[C@@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)c1ccccc1 ZINC001221360831 802559503 /nfs/dbraw/zinc/55/95/03/802559503.db2.gz MYXKKHFBFKHOSG-DLBZAZTESA-N 1 3 303.450 2.479 20 30 DEEDHO C#CCC[NH+]1CCC(CNC(=O)CN(C)CCCCCC)CC1 ZINC001224883724 802914358 /nfs/dbraw/zinc/91/43/58/802914358.db2.gz GOYSQKIPYXDBDL-UHFFFAOYSA-N 1 3 321.509 2.350 20 30 DEEDHO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N1CCCCCC1 ZINC001228924848 803430866 /nfs/dbraw/zinc/43/08/66/803430866.db2.gz KEIWNYYPNBVKBC-RCCFBDPRSA-N 1 3 319.493 2.291 20 30 DEEDHO CC#CCN1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001500495403 1058853768 /nfs/dbraw/zinc/85/37/68/1058853768.db2.gz DKUMMLQNWNMXON-PKOBYXMFSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001500495403 1058853791 /nfs/dbraw/zinc/85/37/91/1058853791.db2.gz DKUMMLQNWNMXON-PKOBYXMFSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CCCCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001506581661 1062157482 /nfs/dbraw/zinc/15/74/82/1062157482.db2.gz YDZFHULJQFEFJU-KRWDZBQOSA-N 1 3 307.482 2.102 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001480381523 1062761523 /nfs/dbraw/zinc/76/15/23/1062761523.db2.gz CTPPQZKNBMKCAO-DLBZAZTESA-N 1 3 321.509 2.204 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001480381523 1062761542 /nfs/dbraw/zinc/76/15/42/1062761542.db2.gz CTPPQZKNBMKCAO-DLBZAZTESA-N 1 3 321.509 2.204 20 30 DEEDHO C=CCN1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001507386508 1063207940 /nfs/dbraw/zinc/20/79/40/1063207940.db2.gz LZSIESDYPVKJER-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001567626713 1064289412 /nfs/dbraw/zinc/28/94/12/1064289412.db2.gz FXHBMCZOTCKBIQ-RDJZCZTQSA-N 1 3 309.498 2.365 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001568357837 1064801857 /nfs/dbraw/zinc/80/18/57/1064801857.db2.gz MKRRVLMMTINCJE-DOTOQJQBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001568357839 1064802413 /nfs/dbraw/zinc/80/24/13/1064802413.db2.gz MKRRVLMMTINCJE-RDJZCZTQSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001568387338 1064829228 /nfs/dbraw/zinc/82/92/28/1064829228.db2.gz UWKLSYDPYMMUHM-LSDHHAIUSA-N 1 3 315.889 2.440 20 30 DEEDHO C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H](C)N1CCCCCC1 ZINC001496297126 1065391126 /nfs/dbraw/zinc/39/11/26/1065391126.db2.gz SIBPNVVISXOYQZ-ZWKOTPCHSA-N 1 3 321.509 2.395 20 30 DEEDHO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001570048418 1065901289 /nfs/dbraw/zinc/90/12/89/1065901289.db2.gz ITBVZQRZYUAOTF-QAETUUGQSA-N 1 3 307.482 2.310 20 30 DEEDHO C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001484339647 1079549489 /nfs/dbraw/zinc/54/94/89/1079549489.db2.gz YXEQGVCJCSSUFM-ZIAGYGMSSA-N 1 3 313.873 2.050 20 30 DEEDHO CC#CC[N@H+](CC1CC1)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001499530011 1067248382 /nfs/dbraw/zinc/24/83/82/1067248382.db2.gz CCFWNCKWDZUJOU-UHFFFAOYSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001499530011 1067248387 /nfs/dbraw/zinc/24/83/87/1067248387.db2.gz CCFWNCKWDZUJOU-UHFFFAOYSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001499574144 1067264588 /nfs/dbraw/zinc/26/45/88/1067264588.db2.gz NROUPPVYHRBQLM-SFHVURJKSA-N 1 3 316.449 2.233 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001499574144 1067264592 /nfs/dbraw/zinc/26/45/92/1067264592.db2.gz NROUPPVYHRBQLM-SFHVURJKSA-N 1 3 316.449 2.233 20 30 DEEDHO C=CCC[NH2+]CC1CC(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001570582557 1068019389 /nfs/dbraw/zinc/01/93/89/1068019389.db2.gz NQQZFYWPFNBBCA-UHFFFAOYSA-N 1 3 315.461 2.422 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001267293141 1078739533 /nfs/dbraw/zinc/73/95/33/1078739533.db2.gz MNMHDLRKPWFTAK-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001267293141 1078739539 /nfs/dbraw/zinc/73/95/39/1078739539.db2.gz MNMHDLRKPWFTAK-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[C@]1(C(=O)N(C)CCCN(C)Cc2ccco2)CCC[NH2+]1 ZINC001574888471 1069286542 /nfs/dbraw/zinc/28/65/42/1069286542.db2.gz FPIKFVWSSZSPTD-GOSISDBHSA-N 1 3 319.449 2.258 20 30 DEEDHO C#CCC[NH+]1CCC(C)(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001484147725 1079324462 /nfs/dbraw/zinc/32/44/62/1079324462.db2.gz XCAIBQHCRJSJED-CALCHBBNSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC(CC)CC)C2)CC1 ZINC001566862492 1075365725 /nfs/dbraw/zinc/36/57/25/1075365725.db2.gz CKRRQQLDRIFBFF-HDICACEKSA-N 1 3 319.493 2.005 20 30 DEEDHO CC#CCN1CCC([C@@H](C)NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001279112004 1079508598 /nfs/dbraw/zinc/50/85/98/1079508598.db2.gz SWVFYRXKEMPDJQ-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001484544706 1079653037 /nfs/dbraw/zinc/65/30/37/1079653037.db2.gz ZWEXFENWPMKMIL-QGZVFWFLSA-N 1 3 307.482 2.123 20 30 DEEDHO C=CC[NH2+]CC[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001484552255 1079656225 /nfs/dbraw/zinc/65/62/25/1079656225.db2.gz YLZZAWOMPKNYOH-INIZCTEOSA-N 1 3 315.461 2.376 20 30 DEEDHO C#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001484772235 1079788013 /nfs/dbraw/zinc/78/80/13/1079788013.db2.gz ORIKTOSKFUTHHR-ZWKOTPCHSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001484772235 1079788020 /nfs/dbraw/zinc/78/80/20/1079788020.db2.gz ORIKTOSKFUTHHR-ZWKOTPCHSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC(CC)CC)CC1 ZINC001485229284 1080077283 /nfs/dbraw/zinc/07/72/83/1080077283.db2.gz IORJEZBQNOQETP-HOTGVXAUSA-N 1 3 321.509 2.251 20 30 DEEDHO C#CCC[NH2+]CC1(NC(=O)CN2[C@H](C)CC[C@H]2C)CCCCC1 ZINC001485458668 1080227657 /nfs/dbraw/zinc/22/76/57/1080227657.db2.gz DFGSGIPYIBRQFP-IAGOWNOFSA-N 1 3 319.493 2.291 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(CC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001481774274 1080489750 /nfs/dbraw/zinc/48/97/50/1080489750.db2.gz BCTKSKHSQHRKRZ-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@H+]1CCC2(C1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001482070737 1080776899 /nfs/dbraw/zinc/77/68/99/1080776899.db2.gz KMHUXDGXDGCWCX-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001482070737 1080776904 /nfs/dbraw/zinc/77/69/04/1080776904.db2.gz KMHUXDGXDGCWCX-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001268771064 1080980176 /nfs/dbraw/zinc/98/01/76/1080980176.db2.gz QCZXUVNSNWLNBE-HZPDHXFCSA-N 1 3 318.465 2.491 20 30 DEEDHO CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268988054 1081076826 /nfs/dbraw/zinc/07/68/26/1081076826.db2.gz KPHGUZJJPCNAKO-IKGGRYGDSA-N 1 3 307.482 2.194 20 30 DEEDHO CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268988054 1081076834 /nfs/dbraw/zinc/07/68/34/1081076834.db2.gz KPHGUZJJPCNAKO-IKGGRYGDSA-N 1 3 307.482 2.194 20 30 DEEDHO C=C(C)C[NH2+]C[C@]1(NC(=O)Cc2nc[nH]c2C)CCCC[C@@H]1C ZINC001666067724 1081118650 /nfs/dbraw/zinc/11/86/50/1081118650.db2.gz HIPSVQUUSPYPKR-KBXCAEBGSA-N 1 3 318.465 2.491 20 30 DEEDHO C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001671748527 1081536628 /nfs/dbraw/zinc/53/66/28/1081536628.db2.gz VTMQOKMEAOGMEL-WMZOPIPTSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCN1CCC[C@@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001671916104 1081549764 /nfs/dbraw/zinc/54/97/64/1081549764.db2.gz FABNCHXPROIXDL-SFHVURJKSA-N 1 3 307.482 2.267 20 30 DEEDHO C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1[C@H](C)CC[C@H]1C)C2 ZINC001672355988 1081586461 /nfs/dbraw/zinc/58/64/61/1081586461.db2.gz MTXLXGBSPRFDCD-HSFUPAIVSA-N 1 3 319.493 2.404 20 30 DEEDHO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1[C@H](C)CC[C@H]1C)C2 ZINC001672355988 1081586468 /nfs/dbraw/zinc/58/64/68/1081586468.db2.gz MTXLXGBSPRFDCD-HSFUPAIVSA-N 1 3 319.493 2.404 20 30 DEEDHO C#CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001482420766 1081810285 /nfs/dbraw/zinc/81/02/85/1081810285.db2.gz FNMGALHLEGYHOG-IAGOWNOFSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001266373432 1082005980 /nfs/dbraw/zinc/00/59/80/1082005980.db2.gz DACMZELXZFPGRG-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C1CC1 ZINC001670555686 1082179518 /nfs/dbraw/zinc/17/95/18/1082179518.db2.gz CEFPHIDQVVCVHH-DLBZAZTESA-N 1 3 307.482 2.167 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266768036 1082331695 /nfs/dbraw/zinc/33/16/95/1082331695.db2.gz WRGJPWHWNYGOAX-DLBZAZTESA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266768036 1082331699 /nfs/dbraw/zinc/33/16/99/1082331699.db2.gz WRGJPWHWNYGOAX-DLBZAZTESA-N 1 3 309.498 2.367 20 30 DEEDHO C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001266893559 1082435862 /nfs/dbraw/zinc/43/58/62/1082435862.db2.gz CMJAZVSCHWTKEQ-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001266893559 1082435865 /nfs/dbraw/zinc/43/58/65/1082435865.db2.gz CMJAZVSCHWTKEQ-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001482685326 1082481034 /nfs/dbraw/zinc/48/10/34/1082481034.db2.gz OILVGCAVZYQRGL-CVEARBPZSA-N 1 3 307.482 2.311 20 30 DEEDHO CC#CCNC/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001483051711 1082663725 /nfs/dbraw/zinc/66/37/25/1082663725.db2.gz XCLUFWLZGALBLQ-ZEVQVBBLSA-N 1 3 317.477 2.069 20 30 DEEDHO CC#CCNC/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001483051711 1082663728 /nfs/dbraw/zinc/66/37/28/1082663728.db2.gz XCLUFWLZGALBLQ-ZEVQVBBLSA-N 1 3 317.477 2.069 20 30 DEEDHO C#CC[N@H+]1CC[C@H]2CN(C(=O)CN(C)CCCCCC)CC[C@@H]21 ZINC001496862294 1083053746 /nfs/dbraw/zinc/05/37/46/1083053746.db2.gz IWPVJWOHCWAXQI-ROUUACIJSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)CCCCCC)CC[C@@H]21 ZINC001496862294 1083053750 /nfs/dbraw/zinc/05/37/50/1083053750.db2.gz IWPVJWOHCWAXQI-ROUUACIJSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCCN1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001276632322 1083525046 /nfs/dbraw/zinc/52/50/46/1083525046.db2.gz DGRQQECAMYCAEA-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001276841770 1083642094 /nfs/dbraw/zinc/64/20/94/1083642094.db2.gz YFTDZVKESXMMRU-YESZJQIVSA-N 1 3 321.509 2.367 20 30 DEEDHO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001276841770 1083642097 /nfs/dbraw/zinc/64/20/97/1083642097.db2.gz YFTDZVKESXMMRU-YESZJQIVSA-N 1 3 321.509 2.367 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963315769 1086404988 /nfs/dbraw/zinc/40/49/88/1086404988.db2.gz YMKRXIRCSFUKBP-IAGOWNOFSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963315769 1086404990 /nfs/dbraw/zinc/40/49/90/1086404990.db2.gz YMKRXIRCSFUKBP-IAGOWNOFSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000957516766 1088369686 /nfs/dbraw/zinc/36/96/86/1088369686.db2.gz BOJZPADNAJCVHK-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC001114832039 1088919595 /nfs/dbraw/zinc/91/95/95/1088919595.db2.gz KNXVXFPECLSOJU-VXNCWWDNSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC001114832039 1088919611 /nfs/dbraw/zinc/91/96/11/1088919611.db2.gz KNXVXFPECLSOJU-VXNCWWDNSA-N 1 3 319.493 2.264 20 30 DEEDHO CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1 ZINC001114835710 1088962596 /nfs/dbraw/zinc/96/25/96/1088962596.db2.gz OUQXCKZKJITSLK-IMBTUZDBSA-N 1 3 321.509 2.345 20 30 DEEDHO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1 ZINC001114835710 1088962608 /nfs/dbraw/zinc/96/26/08/1088962608.db2.gz OUQXCKZKJITSLK-IMBTUZDBSA-N 1 3 321.509 2.345 20 30 DEEDHO CSc1nc(CN2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)ccc1C#N ZINC001275499746 1091807375 /nfs/dbraw/zinc/80/73/75/1091807375.db2.gz MBMNFYMVCCWISY-GASCZTMLSA-N 1 3 316.474 2.449 20 30 DEEDHO CSc1nc(CN2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)ccc1C#N ZINC001275499746 1091807380 /nfs/dbraw/zinc/80/73/80/1091807380.db2.gz MBMNFYMVCCWISY-GASCZTMLSA-N 1 3 316.474 2.449 20 30 DEEDHO C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001006441860 1092119451 /nfs/dbraw/zinc/11/94/51/1092119451.db2.gz GEFQAPFNEMDLML-KRWDZBQOSA-N 1 3 307.482 2.360 20 30 DEEDHO C#CC[NH2+]C[C@]1(NC(=O)CN(C)CC(C)(C)C)CCCC[C@@H]1C ZINC001495320236 1093158849 /nfs/dbraw/zinc/15/88/49/1093158849.db2.gz JOSUHCSDIJESOL-QFBILLFUSA-N 1 3 321.509 2.252 20 30 DEEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001493163222 1093277705 /nfs/dbraw/zinc/27/77/05/1093277705.db2.gz UDRXZVDKGINXNZ-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001318782882 1140415811 /nfs/dbraw/zinc/41/58/11/1140415811.db2.gz ZHNXSWIJHZSIKA-GJZGRUSLSA-N 1 3 313.873 2.051 20 30 DEEDHO C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001318953719 1140476964 /nfs/dbraw/zinc/47/69/64/1140476964.db2.gz SVXNGRZCAVGZCP-QAQDUYKDSA-N 1 3 319.493 2.291 20 30 DEEDHO C=CCCCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001323287748 1141837499 /nfs/dbraw/zinc/83/74/99/1141837499.db2.gz UHIDDWFEUBTWHA-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001323287748 1141837500 /nfs/dbraw/zinc/83/75/00/1141837500.db2.gz UHIDDWFEUBTWHA-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)CC1(C)C ZINC001278639865 1142567953 /nfs/dbraw/zinc/56/79/53/1142567953.db2.gz MYTYNQWBVQXOLB-HOTGVXAUSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001278662478 1142693673 /nfs/dbraw/zinc/69/36/73/1142693673.db2.gz CGZYRANESALAND-NVXWUHKLSA-N 1 3 313.461 2.071 20 30 DEEDHO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001278662478 1142693684 /nfs/dbraw/zinc/69/36/84/1142693684.db2.gz CGZYRANESALAND-NVXWUHKLSA-N 1 3 313.461 2.071 20 30 DEEDHO C=CCC[C@H](O)C[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001252620282 1142793577 /nfs/dbraw/zinc/79/35/77/1142793577.db2.gz SULNJHAPEURMNL-SFHVURJKSA-N 1 3 303.450 2.210 20 30 DEEDHO C=CCCC[C@@H](N)C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001342082148 1143784386 /nfs/dbraw/zinc/78/43/86/1143784386.db2.gz UEYXNEBDCPIPSC-QGZVFWFLSA-N 1 3 315.461 2.189 20 30 DEEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC001263130053 1144357587 /nfs/dbraw/zinc/35/75/87/1144357587.db2.gz JCCOGKSYBJUGAJ-IKGGRYGDSA-N 1 3 319.424 2.153 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001264421390 1144535345 /nfs/dbraw/zinc/53/53/45/1144535345.db2.gz GJOSAMQIICSUFM-WKILWMFISA-N 1 3 307.482 2.311 20 30 DEEDHO CC#CC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001264751262 1144606040 /nfs/dbraw/zinc/60/60/40/1144606040.db2.gz DPAWKEOQPJWEMO-INIZCTEOSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001264751262 1144606041 /nfs/dbraw/zinc/60/60/41/1144606041.db2.gz DPAWKEOQPJWEMO-INIZCTEOSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001281830669 1144915764 /nfs/dbraw/zinc/91/57/64/1144915764.db2.gz LDMYRZKVMYBKPA-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001281830669 1144915767 /nfs/dbraw/zinc/91/57/67/1144915767.db2.gz LDMYRZKVMYBKPA-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)CCC)C[C@@H]21 ZINC001284104941 1145800117 /nfs/dbraw/zinc/80/01/17/1145800117.db2.gz ZXIRSEKEZLFZOL-YESZJQIVSA-N 1 3 307.482 2.121 20 30 DEEDHO CN1CCN(CC2(C)CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC000339089337 530071793 /nfs/dbraw/zinc/07/17/93/530071793.db2.gz RSAIEODOAODKEW-DLBZAZTESA-N 1 3 304.482 2.028 20 30 DEEDHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1cccc(C#N)c1 ZINC000181705370 199342074 /nfs/dbraw/zinc/34/20/74/199342074.db2.gz HWNNAPBGHTYDLN-MRXNPFEDSA-N 1 3 300.450 2.236 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H](C[NH3+])C1)C(C)C ZINC000581240300 357154084 /nfs/dbraw/zinc/15/40/84/357154084.db2.gz KWJMUAPIBXBCCY-SJORKVTESA-N 1 3 322.497 2.065 20 30 DEEDHO CN(C)CCOc1ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598721200 359305572 /nfs/dbraw/zinc/30/55/72/359305572.db2.gz UDABVWMAYLQJEQ-MRXNPFEDSA-N 1 3 319.449 2.017 20 30 DEEDHO CN1CC=C(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000271869030 209283042 /nfs/dbraw/zinc/28/30/42/209283042.db2.gz MCGHDTWIESVROQ-UHFFFAOYSA-N 1 3 324.472 2.374 20 30 DEEDHO N#Cc1ccc2c(c1)CCC[C@@H]2NCCC[NH+]1CCC(O)CC1 ZINC000611391529 361589489 /nfs/dbraw/zinc/58/94/89/361589489.db2.gz MKUBXMXAFKMCIH-IBGZPJMESA-N 1 3 313.445 2.372 20 30 DEEDHO C=CCc1cc(CNCC2=CC[N@H+](C)CC2)cc(OC)c1O ZINC000271773355 209201694 /nfs/dbraw/zinc/20/16/94/209201694.db2.gz CAJZWFFKEVMMKA-UHFFFAOYSA-N 1 3 302.418 2.481 20 30 DEEDHO C=CCc1cc(CNCC2=CC[N@@H+](C)CC2)cc(OC)c1O ZINC000271773355 209201698 /nfs/dbraw/zinc/20/16/98/209201698.db2.gz CAJZWFFKEVMMKA-UHFFFAOYSA-N 1 3 302.418 2.481 20 30 DEEDHO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000120243687 195126639 /nfs/dbraw/zinc/12/66/39/195126639.db2.gz QPEWNMVSPLBUSR-MRXNPFEDSA-N 1 3 322.497 2.191 20 30 DEEDHO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000120243687 195126640 /nfs/dbraw/zinc/12/66/40/195126640.db2.gz QPEWNMVSPLBUSR-MRXNPFEDSA-N 1 3 322.497 2.191 20 30 DEEDHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(C#N)c(F)c1 ZINC000346182840 146032459 /nfs/dbraw/zinc/03/24/59/146032459.db2.gz JOCYVQSPUSAIRV-CQSZACIVSA-N 1 3 318.440 2.374 20 30 DEEDHO CN(CCC(=O)Nc1cccc(C#N)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000172583080 402663862 /nfs/dbraw/zinc/66/38/62/402663862.db2.gz HLPUWYGZUJYEMT-MRXNPFEDSA-N 1 3 314.433 2.160 20 30 DEEDHO CN(CCC(=O)Nc1cccc(C#N)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172583080 402663863 /nfs/dbraw/zinc/66/38/63/402663863.db2.gz HLPUWYGZUJYEMT-MRXNPFEDSA-N 1 3 314.433 2.160 20 30 DEEDHO C[NH+](C)[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000281083503 403058285 /nfs/dbraw/zinc/05/82/85/403058285.db2.gz BGDUNZURNJYHOH-ROUUACIJSA-N 1 3 324.428 2.183 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H]1CC)C(C)C ZINC000353451048 404834574 /nfs/dbraw/zinc/83/45/74/404834574.db2.gz PHJBBUCKYUYRFF-GVDBMIGSSA-N 1 3 307.482 2.189 20 30 DEEDHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424129416 405015242 /nfs/dbraw/zinc/01/52/42/405015242.db2.gz DICOPTOQITYFLM-KRWDZBQOSA-N 1 3 316.449 2.166 20 30 DEEDHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)[C@H](N)CCCC#N ZINC000424149555 405022460 /nfs/dbraw/zinc/02/24/60/405022460.db2.gz WRIDPHAQTSUVDV-ARFHVFGLSA-N 1 3 308.470 2.024 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)C(C)C ZINC000436285434 405066969 /nfs/dbraw/zinc/06/69/69/405066969.db2.gz OUXPXKNUCPYHIF-ZIFCJYIRSA-N 1 3 319.493 2.191 20 30 DEEDHO COCC1(CN[C@H](C)c2ccc(C#N)cc2F)CC[NH2+]CC1 ZINC000423406966 405793821 /nfs/dbraw/zinc/79/38/21/405793821.db2.gz LGQYJAKTJKFGPA-CYBMUJFWSA-N 1 3 305.397 2.364 20 30 DEEDHO CC[N@@H+]1CCC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000471949757 406131538 /nfs/dbraw/zinc/13/15/38/406131538.db2.gz YHPNUTVRLAQLRK-QZTJIDSGSA-N 1 3 324.428 2.089 20 30 DEEDHO CC[N@H+]1CCC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000471949757 406131541 /nfs/dbraw/zinc/13/15/41/406131541.db2.gz YHPNUTVRLAQLRK-QZTJIDSGSA-N 1 3 324.428 2.089 20 30 DEEDHO CC[NH+]1CCC(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000570770997 406435778 /nfs/dbraw/zinc/43/57/78/406435778.db2.gz TUFMLVUFBPVCJD-SFHVURJKSA-N 1 3 324.428 2.089 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC2(CCCCC2)O1 ZINC000262357567 276170549 /nfs/dbraw/zinc/17/05/49/276170549.db2.gz JPIINMWTCYUMGQ-CVEARBPZSA-N 1 3 322.497 2.257 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)C(C)C ZINC000417072799 277850753 /nfs/dbraw/zinc/85/07/53/277850753.db2.gz XHLUIINPPKBLNH-GVDBMIGSSA-N 1 3 322.497 2.064 20 30 DEEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](C)NC[C@H]1C)C(C)C ZINC000417072272 277851126 /nfs/dbraw/zinc/85/11/26/277851126.db2.gz XEDYXCFWSJMDJG-BRWVUGGUSA-N 1 3 322.497 2.077 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C)C(C)C ZINC000353454969 277852309 /nfs/dbraw/zinc/85/23/09/277852309.db2.gz WXFLYVXKBAOYQG-RCCFBDPRSA-N 1 3 321.509 2.435 20 30 DEEDHO C[NH+]=C(NC[C@H]1CCCS1)NCC1(N(C)C)CCCCC1 ZINC000262026544 526377702 /nfs/dbraw/zinc/37/77/02/526377702.db2.gz ZVFNRIKYCZNVJN-CQSZACIVSA-N 1 3 312.527 2.312 20 30 DEEDHO C#C[C@H](NC(=[NH2+])NC[C@@H]1CCCN1CC)c1ccc(Cl)cc1 ZINC000262231523 527314418 /nfs/dbraw/zinc/31/44/18/527314418.db2.gz ABOFHKGELCKRBL-HOTGVXAUSA-N 1 3 318.852 2.403 20 30 DEEDHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424058592 528277014 /nfs/dbraw/zinc/27/70/14/528277014.db2.gz LREXOQJHIRMVPY-DLBZAZTESA-N 1 3 316.449 2.207 20 30 DEEDHO CC#CCN1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632381 625364402 /nfs/dbraw/zinc/36/44/02/625364402.db2.gz LLHQVZZMZGLQQX-MSOLQXFVSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023632381 625364404 /nfs/dbraw/zinc/36/44/04/625364404.db2.gz LLHQVZZMZGLQQX-MSOLQXFVSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001023632381 625364406 /nfs/dbraw/zinc/36/44/06/625364406.db2.gz LLHQVZZMZGLQQX-MSOLQXFVSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001023632381 625364408 /nfs/dbraw/zinc/36/44/08/625364408.db2.gz LLHQVZZMZGLQQX-MSOLQXFVSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021605248 623821382 /nfs/dbraw/zinc/82/13/82/623821382.db2.gz LXDSXVIIONAWCT-FUHWJXTLSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021605248 623821391 /nfs/dbraw/zinc/82/13/91/623821391.db2.gz LXDSXVIIONAWCT-FUHWJXTLSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001022975404 625122815 /nfs/dbraw/zinc/12/28/15/625122815.db2.gz KWBCOUCJIPSCFL-XQLPTFJDSA-N 1 3 313.873 2.096 20 30 DEEDHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001024524244 625838320 /nfs/dbraw/zinc/83/83/20/625838320.db2.gz UNLKRZBCRDQYQL-MSOLQXFVSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001024524244 625838323 /nfs/dbraw/zinc/83/83/23/625838323.db2.gz UNLKRZBCRDQYQL-MSOLQXFVSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCC2)CC1(C)C ZINC000996128211 633191568 /nfs/dbraw/zinc/19/15/68/633191568.db2.gz QRKSCDILTPXVBK-OAHLLOKOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[NH2+][C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001000992525 635383243 /nfs/dbraw/zinc/38/32/43/635383243.db2.gz MIBCOTDTOULDRB-KRWDZBQOSA-N 1 3 301.434 2.128 20 30 DEEDHO C=CC[N@H+]1CC=C(CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001001467142 635501591 /nfs/dbraw/zinc/50/15/91/635501591.db2.gz GVGPIBDGACRFDA-UHFFFAOYSA-N 1 3 313.445 2.296 20 30 DEEDHO C=CC[N@@H+]1CC=C(CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001001467142 635501595 /nfs/dbraw/zinc/50/15/95/635501595.db2.gz GVGPIBDGACRFDA-UHFFFAOYSA-N 1 3 313.445 2.296 20 30 DEEDHO C=CCCN1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000982152024 635891489 /nfs/dbraw/zinc/89/14/89/635891489.db2.gz PZOTVUGZFZOTIR-DLBZAZTESA-N 1 3 305.466 2.114 20 30 DEEDHO C=CCCN1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000982152024 635891493 /nfs/dbraw/zinc/89/14/93/635891493.db2.gz PZOTVUGZFZOTIR-DLBZAZTESA-N 1 3 305.466 2.114 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCN1CCCC ZINC001028251701 635960147 /nfs/dbraw/zinc/96/01/47/635960147.db2.gz JWIPVOAXDCOXAT-QZTJIDSGSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCN1CCCC ZINC001028251701 635960151 /nfs/dbraw/zinc/96/01/51/635960151.db2.gz JWIPVOAXDCOXAT-QZTJIDSGSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831671 636496014 /nfs/dbraw/zinc/49/60/14/636496014.db2.gz PSTVTIFMMPLJOP-PBWTXFEYSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831671 636496017 /nfs/dbraw/zinc/49/60/17/636496017.db2.gz PSTVTIFMMPLJOP-PBWTXFEYSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004615503 636502207 /nfs/dbraw/zinc/50/22/07/636502207.db2.gz HHXJWYNBMNJAKC-GOSISDBHSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004615503 636502212 /nfs/dbraw/zinc/50/22/12/636502212.db2.gz HHXJWYNBMNJAKC-GOSISDBHSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001005586051 636789734 /nfs/dbraw/zinc/78/97/34/636789734.db2.gz UKBOUWDRVJLTIC-IRXDYDNUSA-N 1 3 305.466 2.112 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001005586051 636789738 /nfs/dbraw/zinc/78/97/38/636789738.db2.gz UKBOUWDRVJLTIC-IRXDYDNUSA-N 1 3 305.466 2.112 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001005641153 636803547 /nfs/dbraw/zinc/80/35/47/636803547.db2.gz YKPYKUFEDJQZOO-QGZVFWFLSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001005641153 636803550 /nfs/dbraw/zinc/80/35/50/636803550.db2.gz YKPYKUFEDJQZOO-QGZVFWFLSA-N 1 3 307.482 2.216 20 30 DEEDHO C=C(C)CC[NH+]1CCC(N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC001005999138 637064248 /nfs/dbraw/zinc/06/42/48/637064248.db2.gz YLPZHLFXQANOEO-INIZCTEOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000900333570 642323678 /nfs/dbraw/zinc/32/36/78/642323678.db2.gz BXPONDIJYYPRQO-SJLPKXTDSA-N 1 3 315.461 2.446 20 30 DEEDHO CSC1(CN[C@@H](C)c2cc(C#N)ccn2)CC[NH+](C)CC1 ZINC000902992225 643213856 /nfs/dbraw/zinc/21/38/56/643213856.db2.gz HXYVERYNMMGSFC-ZDUSSCGKSA-N 1 3 304.463 2.431 20 30 DEEDHO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000903458911 643352189 /nfs/dbraw/zinc/35/21/89/643352189.db2.gz MXKUMVADNJRSIM-KRWDZBQOSA-N 1 3 324.432 2.062 20 30 DEEDHO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000903458911 643352194 /nfs/dbraw/zinc/35/21/94/643352194.db2.gz MXKUMVADNJRSIM-KRWDZBQOSA-N 1 3 324.432 2.062 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001015387495 647287949 /nfs/dbraw/zinc/28/79/49/647287949.db2.gz LVRRDYBOPCIVPO-SJORKVTESA-N 1 3 305.466 2.018 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001015387495 647287953 /nfs/dbraw/zinc/28/79/53/647287953.db2.gz LVRRDYBOPCIVPO-SJORKVTESA-N 1 3 305.466 2.018 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C(C)(C)C1 ZINC000940737357 648935558 /nfs/dbraw/zinc/93/55/58/648935558.db2.gz NXLDKYLNNDOCRG-HZPDHXFCSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C(C)(C)C1 ZINC000940737357 648935560 /nfs/dbraw/zinc/93/55/60/648935560.db2.gz NXLDKYLNNDOCRG-HZPDHXFCSA-N 1 3 307.482 2.262 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1cc(C)cc(C)c1 ZINC000304762959 685260917 /nfs/dbraw/zinc/26/09/17/685260917.db2.gz WGXXTPFEIHDGAZ-QGZVFWFLSA-N 1 3 302.466 2.235 20 30 DEEDHO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001054148710 693863559 /nfs/dbraw/zinc/86/35/59/693863559.db2.gz USJKRABTFOKSFJ-FUHWJXTLSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001054148710 693863564 /nfs/dbraw/zinc/86/35/64/693863564.db2.gz USJKRABTFOKSFJ-FUHWJXTLSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054196762 693877520 /nfs/dbraw/zinc/87/75/20/693877520.db2.gz MOCNNVXECSJGTR-IBGZPJMESA-N 1 3 319.493 2.219 20 30 DEEDHO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054196762 693877523 /nfs/dbraw/zinc/87/75/23/693877523.db2.gz MOCNNVXECSJGTR-IBGZPJMESA-N 1 3 319.493 2.219 20 30 DEEDHO C[NH+]=C(NCc1ccco1)NC[C@]1(N(C)C)CCC[C@H](C)C1 ZINC000303409102 685233578 /nfs/dbraw/zinc/23/35/78/685233578.db2.gz UVOSYOFUNCQHGO-YOEHRIQHSA-N 1 3 306.454 2.455 20 30 DEEDHO COc1ccc(NC(=[NH2+])NCCN2CCCCCC2)cc1OC ZINC000303891746 685238858 /nfs/dbraw/zinc/23/88/58/685238858.db2.gz NHVUCLVAMVLXCY-UHFFFAOYSA-N 1 3 320.437 2.306 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001054646676 694014429 /nfs/dbraw/zinc/01/44/29/694014429.db2.gz CIQJQWPXZLTNBV-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001032454501 689155780 /nfs/dbraw/zinc/15/57/80/689155780.db2.gz VJTPFEVXOHONLY-IKGGRYGDSA-N 1 3 305.466 2.112 20 30 DEEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001032454501 689155781 /nfs/dbraw/zinc/15/57/81/689155781.db2.gz VJTPFEVXOHONLY-IKGGRYGDSA-N 1 3 305.466 2.112 20 30 DEEDHO C#CCCN1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033932353 689666222 /nfs/dbraw/zinc/66/62/22/689666222.db2.gz LWFBDMVXRWQMKV-ROUUACIJSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCCN1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001033932353 689666225 /nfs/dbraw/zinc/66/62/25/689666225.db2.gz LWFBDMVXRWQMKV-ROUUACIJSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033932352 689666504 /nfs/dbraw/zinc/66/65/04/689666504.db2.gz LWFBDMVXRWQMKV-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001033932352 689666506 /nfs/dbraw/zinc/66/65/06/689666506.db2.gz LWFBDMVXRWQMKV-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001034216425 689766327 /nfs/dbraw/zinc/76/63/27/689766327.db2.gz GQJCIYTWUIQPCT-IXDOHACOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001034216425 689766330 /nfs/dbraw/zinc/76/63/30/689766330.db2.gz GQJCIYTWUIQPCT-IXDOHACOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034328820 689810117 /nfs/dbraw/zinc/81/01/17/689810117.db2.gz DUPYUSFSELJMQU-ZWKOTPCHSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001034330972 689811963 /nfs/dbraw/zinc/81/19/63/689811963.db2.gz QQBMOKJWOVCEGS-ZWKOTPCHSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001034330972 689811966 /nfs/dbraw/zinc/81/19/66/689811966.db2.gz QQBMOKJWOVCEGS-ZWKOTPCHSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000876722506 689915297 /nfs/dbraw/zinc/91/52/97/689915297.db2.gz WXZJFNXPDRJEKR-GJZGRUSLSA-N 1 3 315.889 2.329 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000876725785 689916700 /nfs/dbraw/zinc/91/67/00/689916700.db2.gz XJGVLARLUFJEKN-AWEZNQCLSA-N 1 3 301.862 2.085 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)N(CC[NH+](CC)CC)CC(C)C ZINC000876728480 689918187 /nfs/dbraw/zinc/91/81/87/689918187.db2.gz NKYMAEFGPMTLHO-AWEZNQCLSA-N 1 3 303.878 2.283 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001034733838 689936481 /nfs/dbraw/zinc/93/64/81/689936481.db2.gz DUJGMHUJUCCOCE-QEJZJMRPSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000877120437 690023308 /nfs/dbraw/zinc/02/33/08/690023308.db2.gz ROIMEEWMYHTDAW-JKSUJKDBSA-N 1 3 321.852 2.095 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000877120437 690023313 /nfs/dbraw/zinc/02/33/13/690023313.db2.gz ROIMEEWMYHTDAW-JKSUJKDBSA-N 1 3 321.852 2.095 20 30 DEEDHO C=CCC[N@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001035227051 690066967 /nfs/dbraw/zinc/06/69/67/690066967.db2.gz NGNLWOFEJVHZED-QGZVFWFLSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001035227051 690066970 /nfs/dbraw/zinc/06/69/70/690066970.db2.gz NGNLWOFEJVHZED-QGZVFWFLSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCCN1CC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001039040276 691000590 /nfs/dbraw/zinc/00/05/90/691000590.db2.gz QBKNDHHRHGTQJS-QGZVFWFLSA-N 1 3 301.434 2.128 20 30 DEEDHO C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039134007 691030174 /nfs/dbraw/zinc/03/01/74/691030174.db2.gz NQYUESBPMABGIB-ZWKOTPCHSA-N 1 3 319.493 2.073 20 30 DEEDHO C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039134007 691030178 /nfs/dbraw/zinc/03/01/78/691030178.db2.gz NQYUESBPMABGIB-ZWKOTPCHSA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001039162026 691036035 /nfs/dbraw/zinc/03/60/35/691036035.db2.gz RMDLQSHTCKPSPP-INIZCTEOSA-N 1 3 316.449 2.089 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001039162026 691036037 /nfs/dbraw/zinc/03/60/37/691036037.db2.gz RMDLQSHTCKPSPP-INIZCTEOSA-N 1 3 316.449 2.089 20 30 DEEDHO C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CC[C@@H](C)C1 ZINC001039297900 691076884 /nfs/dbraw/zinc/07/68/84/691076884.db2.gz DCGDDBMGDPQMHY-CSNJMZFVSA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046369133 692168346 /nfs/dbraw/zinc/16/83/46/692168346.db2.gz POROFRDAGIQUHM-SJLPKXTDSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001046369133 692168347 /nfs/dbraw/zinc/16/83/47/692168347.db2.gz POROFRDAGIQUHM-SJLPKXTDSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049915120 693046938 /nfs/dbraw/zinc/04/69/38/693046938.db2.gz SOYWJBWRQGUYGR-KSZLIROESA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)CC[NH+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001050663010 693226859 /nfs/dbraw/zinc/22/68/59/693226859.db2.gz PQILNELBFWFSAQ-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO N#Cc1ccc(NCCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000925893171 693360946 /nfs/dbraw/zinc/36/09/46/693360946.db2.gz MJTRROVSQIIUIS-IXDOHACOSA-N 1 3 313.449 2.266 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001052367845 693516177 /nfs/dbraw/zinc/51/61/77/693516177.db2.gz BYVSQJGYHCQKIO-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001052367845 693516181 /nfs/dbraw/zinc/51/61/81/693516181.db2.gz BYVSQJGYHCQKIO-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO CC(C)CCN1CCC([NH2+]CCNc2ccc(C#N)cn2)CC1 ZINC000927168229 693564708 /nfs/dbraw/zinc/56/47/08/693564708.db2.gz RJIKMOAZURTIRD-UHFFFAOYSA-N 1 3 315.465 2.465 20 30 DEEDHO C=CCN1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001332221159 1149837361 /nfs/dbraw/zinc/83/73/61/1149837361.db2.gz WZZYUCNBWYAKJT-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(Cl)CNC[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001380841427 1152864154 /nfs/dbraw/zinc/86/41/54/1152864154.db2.gz ZJJSSVYXKAHMMY-UKRRQHHQSA-N 1 3 313.873 2.051 20 30 DEEDHO C=C(Cl)CNC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001380841427 1152864157 /nfs/dbraw/zinc/86/41/57/1152864157.db2.gz ZJJSSVYXKAHMMY-UKRRQHHQSA-N 1 3 313.873 2.051 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001373024413 1156840370 /nfs/dbraw/zinc/84/03/70/1156840370.db2.gz BDYULFCYXRJVES-AWEZNQCLSA-N 1 3 315.889 2.296 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001376597163 1159588952 /nfs/dbraw/zinc/58/89/52/1159588952.db2.gz GQJWTHMWVGNJHA-RBSFLKMASA-N 1 3 315.889 2.344 20 30 DEEDHO C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001400075502 1161647630 /nfs/dbraw/zinc/64/76/30/1161647630.db2.gz AEPXTBGOJSXLSN-UKRRQHHQSA-N 1 3 315.889 2.296 20 30 DEEDHO C=C(Cl)CNC[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001423013490 1173015851 /nfs/dbraw/zinc/01/58/51/1173015851.db2.gz ZEMLXFYFOOGZQY-LSDHHAIUSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(Cl)CNC[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001423013490 1173015854 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307.482 2.121 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001007457371 784924590 /nfs/dbraw/zinc/92/45/90/784924590.db2.gz MGHPJWQBSCKWPM-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001007457371 784924597 /nfs/dbraw/zinc/92/45/97/784924597.db2.gz MGHPJWQBSCKWPM-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132493584 788104583 /nfs/dbraw/zinc/10/45/83/788104583.db2.gz MGPQCTGPYCHETR-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C ZINC001132894060 788220930 /nfs/dbraw/zinc/22/09/30/788220930.db2.gz WMXXPJJOOZXYMT-CVEARBPZSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CC[C@H]1C ZINC001133190251 788313004 /nfs/dbraw/zinc/31/30/04/788313004.db2.gz FSBRBODQIBTABX-HIFRSBDPSA-N 1 3 315.889 2.155 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C ZINC001133275102 788346265 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C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015453 791923472 /nfs/dbraw/zinc/92/34/72/791923472.db2.gz SBTZMDQVTXBDKQ-APWZRJJASA-N 1 3 319.493 2.075 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148138 792527839 /nfs/dbraw/zinc/52/78/39/792527839.db2.gz KYJGQKBUDCMYOU-IKGGRYGDSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001100405762 792631581 /nfs/dbraw/zinc/63/15/81/792631581.db2.gz LRAHTIKIKHLKHJ-QQFBHYJXSA-N 1 3 307.482 2.310 20 30 DEEDHO C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001100730764 792817745 /nfs/dbraw/zinc/81/77/45/792817745.db2.gz OAWHDOYSSQUYHG-KLAILNCOSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)N(C)CC)C[C@]2(C)C1 ZINC001101285274 793102384 /nfs/dbraw/zinc/10/23/84/793102384.db2.gz VZLOZPKUHFCBCQ-QAPCUYQASA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)N(C)CC)C[C@]2(C)C1 ZINC001101285274 793102392 /nfs/dbraw/zinc/10/23/92/793102392.db2.gz VZLOZPKUHFCBCQ-QAPCUYQASA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101375359 793136070 /nfs/dbraw/zinc/13/60/70/793136070.db2.gz OUNNNHZCRIRKOS-DAYGRLMNSA-N 1 3 316.449 2.087 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101375359 793136077 /nfs/dbraw/zinc/13/60/77/793136077.db2.gz OUNNNHZCRIRKOS-DAYGRLMNSA-N 1 3 316.449 2.087 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600766 793668881 /nfs/dbraw/zinc/66/88/81/793668881.db2.gz UMXNAWSQHJZRPI-BRWVUGGUSA-N 1 3 309.498 2.365 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600766 793668884 /nfs/dbraw/zinc/66/88/84/793668884.db2.gz UMXNAWSQHJZRPI-BRWVUGGUSA-N 1 3 309.498 2.365 20 30 DEEDHO C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001175573943 794245184 /nfs/dbraw/zinc/24/51/84/794245184.db2.gz RPSUSQCUGYEMLS-DLBZAZTESA-N 1 3 307.482 2.147 20 30 DEEDHO C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001176754481 794497284 /nfs/dbraw/zinc/49/72/84/794497284.db2.gz WQIOIUPOLQIELC-AWEZNQCLSA-N 1 3 303.878 2.344 20 30 DEEDHO C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001112399562 794622962 /nfs/dbraw/zinc/62/29/62/794622962.db2.gz ZQFTVDDRVUJSBE-SCTDSRPQSA-N 1 3 319.493 2.121 20 30 DEEDHO CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCCCN1CC ZINC001180373041 795292975 /nfs/dbraw/zinc/29/29/75/795292975.db2.gz OTBGOPCMDQJIPB-QGZVFWFLSA-N 1 3 307.482 2.150 20 30 DEEDHO C=CCC[NH2+]C1CC2(CC(NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001121791344 795687571 /nfs/dbraw/zinc/68/75/71/795687571.db2.gz NBFADLNHVRHOPG-UHFFFAOYSA-N 1 3 319.493 2.311 20 30 DEEDHO C#CCC[NH2+]C[C@]1(C)CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001182623308 795713598 /nfs/dbraw/zinc/71/35/98/795713598.db2.gz HCPIQLWWBKCBGN-VQIMIIECSA-N 1 3 321.509 2.062 20 30 DEEDHO C=CCC[NH2+]C1CC2(CC(NC(=O)CN3[C@H](C)CC[C@H]3C)C2)C1 ZINC001122231049 795738567 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C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203028400 796515104 /nfs/dbraw/zinc/51/51/04/796515104.db2.gz NJOCXMLELXFAPA-HUUCEWRRSA-N 1 3 305.466 2.064 20 30 DEEDHO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001192671001 797428432 /nfs/dbraw/zinc/42/84/32/797428432.db2.gz DKKGWACKFKGWBQ-IRXDYDNUSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001192671001 797428436 /nfs/dbraw/zinc/42/84/36/797428436.db2.gz DKKGWACKFKGWBQ-IRXDYDNUSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246900 797699603 /nfs/dbraw/zinc/69/96/03/797699603.db2.gz SSGGJEPXIZWYQT-KRWDZBQOSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246900 797699607 /nfs/dbraw/zinc/69/96/07/797699607.db2.gz SSGGJEPXIZWYQT-KRWDZBQOSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC[C@H]1C ZINC001158474228 798412800 /nfs/dbraw/zinc/41/28/00/798412800.db2.gz TWKUJKLACSQEJX-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC[C@H]1C ZINC001158474228 798412802 /nfs/dbraw/zinc/41/28/02/798412802.db2.gz TWKUJKLACSQEJX-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001158914653 798489260 /nfs/dbraw/zinc/48/92/60/798489260.db2.gz QNSLAAJKRZSCDT-QGZVFWFLSA-N 1 3 307.482 2.361 20 30 DEEDHO C=CCN1CC=C(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001160400379 798683370 /nfs/dbraw/zinc/68/33/70/798683370.db2.gz PADGGBNBHNYZGS-QGZVFWFLSA-N 1 3 305.466 2.185 20 30 DEEDHO C=CCN1CC=C(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001160400379 798683373 /nfs/dbraw/zinc/68/33/73/798683373.db2.gz PADGGBNBHNYZGS-QGZVFWFLSA-N 1 3 305.466 2.185 20 30 DEEDHO C=CC[N@H+]1CC=C(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001161219501 798812659 /nfs/dbraw/zinc/81/26/59/798812659.db2.gz IHWFBSLPJJYADQ-UHFFFAOYSA-N 1 3 307.482 2.289 20 30 DEEDHO C=CC[N@@H+]1CC=C(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001161219501 798812662 /nfs/dbraw/zinc/81/26/62/798812662.db2.gz IHWFBSLPJJYADQ-UHFFFAOYSA-N 1 3 307.482 2.289 20 30 DEEDHO C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001206952219 800640085 /nfs/dbraw/zinc/64/00/85/800640085.db2.gz DSQNWKYSSICFRR-QGZVFWFLSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001211256382 801537111 /nfs/dbraw/zinc/53/71/11/801537111.db2.gz FDWKTPCVNBZRDD-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001211257310 801537132 /nfs/dbraw/zinc/53/71/32/801537132.db2.gz QJOPJWYFIJBTST-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001215558708 801877936 /nfs/dbraw/zinc/87/79/36/801877936.db2.gz ZACBWAPCQITMSR-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO N#Cc1c2c(sc1NC(=O)c1ccc3c(c1)C[NH2+]C3)CNCC2 ZINC001218556637 802205618 /nfs/dbraw/zinc/20/56/18/802205618.db2.gz VXEWIOVWKPUKDC-UHFFFAOYSA-N 1 3 324.409 2.121 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]21 ZINC001223446647 802791102 /nfs/dbraw/zinc/79/11/02/802791102.db2.gz OHCAWKDICPILQT-FGTMMUONSA-N 1 3 321.509 2.462 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]21 ZINC001223446647 802791106 /nfs/dbraw/zinc/79/11/06/802791106.db2.gz OHCAWKDICPILQT-FGTMMUONSA-N 1 3 321.509 2.462 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001226800258 803161637 /nfs/dbraw/zinc/16/16/37/803161637.db2.gz JAKYLWZIJBVVBZ-BRWVUGGUSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001227308470 803229450 /nfs/dbraw/zinc/22/94/50/803229450.db2.gz WYSUFGCZVODBPO-KRWDZBQOSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001227817923 803284132 /nfs/dbraw/zinc/28/41/32/803284132.db2.gz PDULCHPGRPLUHN-WMLDXEAASA-N 1 3 307.482 2.262 20 30 DEEDHO C#CC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCCC1)C1CCCC1 ZINC001500087486 1058481350 /nfs/dbraw/zinc/48/13/50/1058481350.db2.gz APVHLOGJMKONNJ-KRWDZBQOSA-N 1 3 319.493 2.149 20 30 DEEDHO C=C(C)C[NH2+]C1(CC)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001502496432 1060152481 /nfs/dbraw/zinc/15/24/81/1060152481.db2.gz UBLCWUVJOHRIFO-UHFFFAOYSA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCCCN1CC)C(C)C ZINC001506489110 1062036056 /nfs/dbraw/zinc/03/60/56/1062036056.db2.gz OHYQXZFXOCNCAQ-ZWKOTPCHSA-N 1 3 321.509 2.347 20 30 DEEDHO C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCCN1C(C)C ZINC001480362794 1062715544 /nfs/dbraw/zinc/71/55/44/1062715544.db2.gz MVQJVZPMOKJDAM-ZWKOTPCHSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCCN1CC[C@@H](N(CC)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001567942163 1064545129 /nfs/dbraw/zinc/54/51/29/1064545129.db2.gz LFMZYVXYXAZWGQ-SJORKVTESA-N 1 3 307.482 2.053 20 30 DEEDHO CC#CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCCC2)CCCC1 ZINC001568234942 1064720963 /nfs/dbraw/zinc/72/09/63/1064720963.db2.gz CINNRUDKSWZBHD-UHFFFAOYSA-N 1 3 319.493 2.293 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001568424571 1064861105 /nfs/dbraw/zinc/86/11/05/1064861105.db2.gz SOJUAPHWOQAWBL-NVXWUHKLSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCCCCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001569359569 1065455261 /nfs/dbraw/zinc/45/52/61/1065455261.db2.gz IIMMCTUWZVLTFV-IXDOHACOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCCCCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001569359569 1065455271 /nfs/dbraw/zinc/45/52/71/1065455271.db2.gz IIMMCTUWZVLTFV-IXDOHACOSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001569436388 1065505914 /nfs/dbraw/zinc/50/59/14/1065505914.db2.gz HPXHBNAZPWQMGU-ZWKOTPCHSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001569436388 1065505925 /nfs/dbraw/zinc/50/59/25/1065505925.db2.gz HPXHBNAZPWQMGU-ZWKOTPCHSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CN(C)CC(C)(C)C ZINC001498488548 1066740638 /nfs/dbraw/zinc/74/06/38/1066740638.db2.gz IHIKJSKGYQJVTG-CVEARBPZSA-N 1 3 309.498 2.415 20 30 DEEDHO C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CC(C)(C)C ZINC001498488550 1066740800 /nfs/dbraw/zinc/74/08/00/1066740800.db2.gz IHIKJSKGYQJVTG-HOTGVXAUSA-N 1 3 309.498 2.415 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001571017377 1068174072 /nfs/dbraw/zinc/17/40/72/1068174072.db2.gz ZBKZLZQLPWPGPS-ULQDDVLXSA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001571017377 1068174073 /nfs/dbraw/zinc/17/40/73/1068174073.db2.gz ZBKZLZQLPWPGPS-ULQDDVLXSA-N 1 3 319.493 2.264 20 30 DEEDHO C#CCC[NH2+][C@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CC1(C)C ZINC001571565296 1068423698 /nfs/dbraw/zinc/42/36/98/1068423698.db2.gz WBWLMFQAZKSMNE-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC001574851638 1069276741 /nfs/dbraw/zinc/27/67/41/1069276741.db2.gz ILTBLKYCPVHYOY-AEGPPILISA-N 1 3 309.841 2.264 20 30 DEEDHO C#CCN1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001566129400 1075234228 /nfs/dbraw/zinc/23/42/28/1075234228.db2.gz FRAYNEKLHSGADI-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001566129400 1075234232 /nfs/dbraw/zinc/23/42/32/1075234232.db2.gz FRAYNEKLHSGADI-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN(CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001566601055 1075294255 /nfs/dbraw/zinc/29/42/55/1075294255.db2.gz VIFSBCXYYOFHFJ-AEFFLSMTSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001566955382 1075398844 /nfs/dbraw/zinc/39/88/44/1075398844.db2.gz LTVMFILLBCJNTL-QZTJIDSGSA-N 1 3 319.493 2.197 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001567144935 1075444205 /nfs/dbraw/zinc/44/42/05/1075444205.db2.gz GBFSHLWTDHKEGD-KRWDZBQOSA-N 1 3 307.482 2.123 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001567167894 1075450802 /nfs/dbraw/zinc/45/08/02/1075450802.db2.gz RIOARYLMMHBZTL-CVEARBPZSA-N 1 3 307.482 2.454 20 30 DEEDHO CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001484574592 1079667379 /nfs/dbraw/zinc/66/73/79/1079667379.db2.gz GRBIGOHHIAHKPG-BRSBDYLESA-N 1 3 319.493 2.147 20 30 DEEDHO C#CC[N@@H+](CCCNC(=O)C(C)(C)N1CCCCC1)C(C)C ZINC001481350440 1079744866 /nfs/dbraw/zinc/74/48/66/1079744866.db2.gz KRHHVQXJHOFMMP-UHFFFAOYSA-N 1 3 307.482 2.101 20 30 DEEDHO C#CC[N@H+](CCCNC(=O)C(C)(C)N1CCCCC1)C(C)C ZINC001481350440 1079744871 /nfs/dbraw/zinc/74/48/71/1079744871.db2.gz KRHHVQXJHOFMMP-UHFFFAOYSA-N 1 3 307.482 2.101 20 30 DEEDHO C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001656198559 1080063407 /nfs/dbraw/zinc/06/34/07/1080063407.db2.gz VRWNMNQBHCTJBZ-ULQDDVLXSA-N 1 3 307.482 2.310 20 30 DEEDHO C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001656254043 1080072596 /nfs/dbraw/zinc/07/25/96/1080072596.db2.gz OWVZFGPYKUVPCN-ZWKOTPCHSA-N 1 3 315.461 2.098 20 30 DEEDHO C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001661216476 1080459015 /nfs/dbraw/zinc/45/90/15/1080459015.db2.gz QTCCXLCBLLZVMH-DLBZAZTESA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001661216476 1080459017 /nfs/dbraw/zinc/45/90/17/1080459017.db2.gz QTCCXLCBLLZVMH-DLBZAZTESA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001661598523 1080498753 /nfs/dbraw/zinc/49/87/53/1080498753.db2.gz YCHCOJBQUREPRH-WCXIOVBPSA-N 1 3 307.482 2.451 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]CCCC2CCC2)CC1 ZINC001662424271 1080607747 /nfs/dbraw/zinc/60/77/47/1080607747.db2.gz KDUSFTJUDQCVBI-MRXNPFEDSA-N 1 3 319.493 2.006 20 30 DEEDHO CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCCCN1C(C)C)C(C)C ZINC001667498152 1081258462 /nfs/dbraw/zinc/25/84/62/1081258462.db2.gz IORSDEWXCSBIGJ-IAGOWNOFSA-N 1 3 307.482 2.003 20 30 DEEDHO C=CCC[NH2+]C1(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001269489274 1081263677 /nfs/dbraw/zinc/26/36/77/1081263677.db2.gz LVCMKTOFVBTHLZ-QGZVFWFLSA-N 1 3 311.445 2.013 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]CCCC(C)(C)C)CC1 ZINC001669482239 1081452626 /nfs/dbraw/zinc/45/26/26/1081452626.db2.gz IXJRQNUZENIHFS-MRXNPFEDSA-N 1 3 321.509 2.252 20 30 DEEDHO C#CCNC[C@@H](NC(=O)CC[NH+](C)C)c1ccc2ccccc2c1 ZINC001270369185 1081511339 /nfs/dbraw/zinc/51/13/39/1081511339.db2.gz MPOLSMTYOGYNLS-LJQANCHMSA-N 1 3 323.440 2.172 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001672315326 1081582974 /nfs/dbraw/zinc/58/29/74/1081582974.db2.gz KENUHARKEBJPOA-JKSUJKDBSA-N 1 3 309.498 2.225 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001271007183 1081873404 /nfs/dbraw/zinc/87/34/04/1081873404.db2.gz KITAVQDALPGEED-FUHWJXTLSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001271007183 1081873413 /nfs/dbraw/zinc/87/34/13/1081873413.db2.gz KITAVQDALPGEED-FUHWJXTLSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCCN1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001266251638 1081916762 /nfs/dbraw/zinc/91/67/62/1081916762.db2.gz DTNNUOAYKIEJPF-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO CC#CC[N@H+](C)CCC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001271790160 1082155289 /nfs/dbraw/zinc/15/52/89/1082155289.db2.gz HHUHJDJWSGDQAO-SFHVURJKSA-N 1 3 321.509 2.156 20 30 DEEDHO CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001271790160 1082155291 /nfs/dbraw/zinc/15/52/91/1082155291.db2.gz HHUHJDJWSGDQAO-SFHVURJKSA-N 1 3 321.509 2.156 20 30 DEEDHO CC#CC[NH2+][C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)C(C)C ZINC001271907188 1082188763 /nfs/dbraw/zinc/18/87/63/1082188763.db2.gz CBJLGUMJQOLMIW-SJORKVTESA-N 1 3 307.482 2.005 20 30 DEEDHO C=C(C)CN(CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001266617670 1082219939 /nfs/dbraw/zinc/21/99/39/1082219939.db2.gz SCBGIOYXXQFPQX-WBVHZDCISA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001266663230 1082257451 /nfs/dbraw/zinc/25/74/51/1082257451.db2.gz MACCQBQKZYIJJC-DLBZAZTESA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001266663230 1082257457 /nfs/dbraw/zinc/25/74/57/1082257457.db2.gz MACCQBQKZYIJJC-DLBZAZTESA-N 1 3 307.482 2.216 20 30 DEEDHO C=C(C)CN(C)CCN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001272075690 1082399975 /nfs/dbraw/zinc/39/99/75/1082399975.db2.gz MYKPKWPZUABXOT-UHFFFAOYSA-N 1 3 317.477 2.371 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001496869328 1083058963 /nfs/dbraw/zinc/05/89/63/1083058963.db2.gz PQEVOVVSILSPEH-IRXDYDNUSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001496869328 1083058965 /nfs/dbraw/zinc/05/89/65/1083058965.db2.gz PQEVOVVSILSPEH-IRXDYDNUSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436861 1083394059 /nfs/dbraw/zinc/39/40/59/1083394059.db2.gz VHHDUUCIGWBIQX-SJLPKXTDSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCC[N@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436861 1083394066 /nfs/dbraw/zinc/39/40/66/1083394066.db2.gz VHHDUUCIGWBIQX-SJLPKXTDSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001491153403 1084113415 /nfs/dbraw/zinc/11/34/15/1084113415.db2.gz KSUPBHXGBTUPKR-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)CCC ZINC001670939285 1084157424 /nfs/dbraw/zinc/15/74/24/1084157424.db2.gz BXYKLEBSGOMNHZ-ALOPSCKCSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H](F)CN(CC)CC)CC1 ZINC001486437879 1085313565 /nfs/dbraw/zinc/31/35/65/1085313565.db2.gz MVTPVDVCHBOBNB-GDBMZVCRSA-N 1 3 313.461 2.069 20 30 DEEDHO C=CC[NH+]1CCC2(CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC000957606100 1088452483 /nfs/dbraw/zinc/45/24/83/1088452483.db2.gz ZIPKXKZGBHDQFL-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001274434111 1091241367 /nfs/dbraw/zinc/24/13/67/1091241367.db2.gz BIYQYOGFXDZJHK-INIZCTEOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001274434111 1091241372 /nfs/dbraw/zinc/24/13/72/1091241372.db2.gz BIYQYOGFXDZJHK-INIZCTEOSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CC[N@H+]1CCC[C@H](NC(=O)CN(C)CCCCCC)CC1 ZINC001273459176 1091788891 /nfs/dbraw/zinc/78/88/91/1091788891.db2.gz ZNLUCFSJARJFQG-KRWDZBQOSA-N 1 3 307.482 2.102 20 30 DEEDHO C#CC[N@@H+]1CCC[C@H](NC(=O)CN(C)CCCCCC)CC1 ZINC001273459176 1091788897 /nfs/dbraw/zinc/78/88/97/1091788897.db2.gz ZNLUCFSJARJFQG-KRWDZBQOSA-N 1 3 307.482 2.102 20 30 DEEDHO C=CC[N@@H+](C)CCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001273559880 1091922495 /nfs/dbraw/zinc/92/24/95/1091922495.db2.gz FODLDYRUQFWQSV-QGZVFWFLSA-N 1 3 313.461 2.165 20 30 DEEDHO C=CC[N@H+](C)CCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001273559880 1091922503 /nfs/dbraw/zinc/92/25/03/1091922503.db2.gz FODLDYRUQFWQSV-QGZVFWFLSA-N 1 3 313.461 2.165 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](F)CN(CC)CC)[C@H]1CC ZINC001489118971 1092929304 /nfs/dbraw/zinc/92/93/04/1092929304.db2.gz UKRMQMKFKABKAZ-HRCADAONSA-N 1 3 313.461 2.212 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](F)CN(CC)CC)[C@H]1CC ZINC001489118971 1092929312 /nfs/dbraw/zinc/92/93/12/1092929312.db2.gz UKRMQMKFKABKAZ-HRCADAONSA-N 1 3 313.461 2.212 20 30 DEEDHO C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001490409512 1093368049 /nfs/dbraw/zinc/36/80/49/1093368049.db2.gz LNHUBJUPLKUJDU-INIZCTEOSA-N 1 3 313.461 2.165 20 30 DEEDHO CC#CCNC[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001278004938 1138405338 /nfs/dbraw/zinc/40/53/38/1138405338.db2.gz HVIGIHBDESYENI-QZTJIDSGSA-N 1 3 319.493 2.101 20 30 DEEDHO CCCCCCC[C@H](C)NC(=O)NCCC[NH2+]CCCN ZINC001239252533 1139003656 /nfs/dbraw/zinc/00/36/56/1139003656.db2.gz FYLFLQIKTLJGBF-HNNXBMFYSA-N 1 3 300.491 2.363 20 30 DEEDHO N#Cc1cc(-c2cnccc2N2CCOCC2)cc(C2C[NH2+]C2)c1 ZINC001240351021 1139344249 /nfs/dbraw/zinc/34/42/49/1139344249.db2.gz JWRKJEMMNPKHIJ-UHFFFAOYSA-N 1 3 320.396 2.144 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)CCC)C[C@H]21 ZINC001278495855 1141647116 /nfs/dbraw/zinc/64/71/16/1141647116.db2.gz WLOCNCWWNXEDAQ-GVDBMIGSSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]21 ZINC001278496204 1141651372 /nfs/dbraw/zinc/65/13/72/1141651372.db2.gz YNFIHHUURUMKGU-IXDOHACOSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001278504806 1141780111 /nfs/dbraw/zinc/78/01/11/1141780111.db2.gz NSXOEEDAMIAZGW-QGZVFWFLSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCN(C(=O)CN(C)CCC)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001324439482 1142076753 /nfs/dbraw/zinc/07/67/53/1142076753.db2.gz JDQNDBFCXGDZEB-KRWDZBQOSA-N 1 3 321.509 2.301 20 30 DEEDHO C#CCN(C(=O)CN(C)C(C)C)C1CC[NH+](CCC(C)C)CC1 ZINC001324440251 1142078270 /nfs/dbraw/zinc/07/82/70/1142078270.db2.gz CARVDYJXUBRUQF-UHFFFAOYSA-N 1 3 321.509 2.299 20 30 DEEDHO CC#CC[NH2+]C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1CCCC1 ZINC001324498805 1142088987 /nfs/dbraw/zinc/08/89/87/1142088987.db2.gz XKVKGPJJUKBVMF-QGZVFWFLSA-N 1 3 321.509 2.252 20 30 DEEDHO CC#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)CC1(C)C ZINC001278673805 1142774138 /nfs/dbraw/zinc/77/41/38/1142774138.db2.gz VWIUQVXCRNOPFH-IRXDYDNUSA-N 1 3 319.493 2.099 20 30 DEEDHO C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1C(C)C)C(C)(C)C ZINC001278963064 1143866485 /nfs/dbraw/zinc/86/64/85/1143866485.db2.gz WHLYRHWQKWFQOT-HOTGVXAUSA-N 1 3 307.482 2.003 20 30 DEEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001263170020 1144359184 /nfs/dbraw/zinc/35/91/84/1144359184.db2.gz FPMLOXZPCWWMLV-MSOLQXFVSA-N 1 3 315.461 2.308 20 30 DEEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001263170020 1144359189 /nfs/dbraw/zinc/35/91/89/1144359189.db2.gz FPMLOXZPCWWMLV-MSOLQXFVSA-N 1 3 315.461 2.308 20 30 DEEDHO C=CCC[NH2+][C@H]1CCCCCN(C(=O)CN(C)C2CCC2)C1 ZINC001264677530 1144591267 /nfs/dbraw/zinc/59/12/67/1144591267.db2.gz CHCCIUDGFPIDCG-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO CC#CC[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001264751263 1144605783 /nfs/dbraw/zinc/60/57/83/1144605783.db2.gz DPAWKEOQPJWEMO-MRXNPFEDSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001264751263 1144605788 /nfs/dbraw/zinc/60/57/88/1144605788.db2.gz DPAWKEOQPJWEMO-MRXNPFEDSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN(C)CCC ZINC001265697168 1144729597 /nfs/dbraw/zinc/72/95/97/1144729597.db2.gz PCXOSJLRGMCJGI-ROUUACIJSA-N 1 3 319.493 2.197 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN(C)CCC ZINC001265697168 1144729600 /nfs/dbraw/zinc/72/96/00/1144729600.db2.gz PCXOSJLRGMCJGI-ROUUACIJSA-N 1 3 319.493 2.197 20 30 DEEDHO C=C(C)CC[NH+]1CCC(N(C)C(=O)CN(C)C2CCC2)CC1 ZINC001266183664 1144812192 /nfs/dbraw/zinc/81/21/92/1144812192.db2.gz MAWQXDBBLBLCIQ-UHFFFAOYSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@@H+](CC)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001281840821 1144916008 /nfs/dbraw/zinc/91/60/08/1144916008.db2.gz RKFGYWHOCCZAPZ-QGZVFWFLSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCC[N@H+](CC)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001281840821 1144916010 /nfs/dbraw/zinc/91/60/10/1144916010.db2.gz RKFGYWHOCCZAPZ-QGZVFWFLSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001282716232 1145142233 /nfs/dbraw/zinc/14/22/33/1145142233.db2.gz HZRGHWSYYDIYIA-HUUCEWRRSA-N 1 3 307.482 2.262 20 30 DEEDHO CCCN1CCC([N@H+](C)C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001365288443 1145838390 /nfs/dbraw/zinc/83/83/90/1145838390.db2.gz WOBMICAZSKBEHE-GOSISDBHSA-N 1 3 301.434 2.398 20 30 DEEDHO CCCN1CCC([N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001365288443 1145838392 /nfs/dbraw/zinc/83/83/92/1145838392.db2.gz WOBMICAZSKBEHE-GOSISDBHSA-N 1 3 301.434 2.398 20 30 DEEDHO C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001316877351 1147619242 /nfs/dbraw/zinc/61/92/42/1147619242.db2.gz JXTRXKBDBPNTID-IRXDYDNUSA-N 1 3 321.509 2.347 20 30 DEEDHO C=C(Cl)CN[C@@H](CC)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001367099340 1147649689 /nfs/dbraw/zinc/64/96/89/1147649689.db2.gz WZUWRISRZGPXSR-AWEZNQCLSA-N 1 3 315.889 2.488 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001317139870 1147665501 /nfs/dbraw/zinc/66/55/01/1147665501.db2.gz LQPKWOVYJDZOSW-DLBZAZTESA-N 1 3 307.482 2.123 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001317139870 1147665504 /nfs/dbraw/zinc/66/55/04/1147665504.db2.gz LQPKWOVYJDZOSW-DLBZAZTESA-N 1 3 307.482 2.123 20 30 DEEDHO C#CCNC[C@@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001317200602 1147675252 /nfs/dbraw/zinc/67/52/52/1147675252.db2.gz RZRBQBDWXBTSEN-ROUUACIJSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCN[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001317721012 1147747148 /nfs/dbraw/zinc/74/71/48/1147747148.db2.gz QTGDFYUUHUWOQC-MSOLQXFVSA-N 1 3 315.461 2.494 20 30 DEEDHO C=CCN[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001317721012 1147747149 /nfs/dbraw/zinc/74/71/49/1147747149.db2.gz QTGDFYUUHUWOQC-MSOLQXFVSA-N 1 3 315.461 2.494 20 30 DEEDHO C=C(C)C[NH2+][C@H](CNC(=O)CN1CC[C@H](C)C1)c1ccccc1 ZINC001317723397 1147747297 /nfs/dbraw/zinc/74/72/97/1147747297.db2.gz GNHOHVSAXHGBFG-FUHWJXTLSA-N 1 3 315.461 2.351 20 30 DEEDHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000181491919 199305923 /nfs/dbraw/zinc/30/59/23/199305923.db2.gz YHFQUAYJUGUYFI-MRXNPFEDSA-N 1 3 300.450 2.236 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000186060697 186236850 /nfs/dbraw/zinc/23/68/50/186236850.db2.gz XGPSKVZGXPADOU-OAHLLOKOSA-N 1 3 303.450 2.422 20 30 DEEDHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000181500966 356083669 /nfs/dbraw/zinc/08/36/69/356083669.db2.gz XMKIEHLZOZNWER-JKSUJKDBSA-N 1 3 300.450 2.235 20 30 DEEDHO C=CC[C@]1(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CCC[NH2+]1 ZINC000662689121 540333635 /nfs/dbraw/zinc/33/36/35/540333635.db2.gz DYRDWVDQPDADDI-IEBWSBKVSA-N 1 3 315.461 2.412 20 30 DEEDHO N#Cc1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000180998749 199238703 /nfs/dbraw/zinc/23/87/03/199238703.db2.gz QNMHNCWHJBCZPQ-FQEVSTJZSA-N 1 3 321.424 2.415 20 30 DEEDHO N#Cc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000180998749 199238704 /nfs/dbraw/zinc/23/87/04/199238704.db2.gz QNMHNCWHJBCZPQ-FQEVSTJZSA-N 1 3 321.424 2.415 20 30 DEEDHO C#CCCOc1ccc(CNCCC[N@@H+](C)CCOC)cc1 ZINC000264952107 204299037 /nfs/dbraw/zinc/29/90/37/204299037.db2.gz KVJRQIRWPHMPFQ-UHFFFAOYSA-N 1 3 304.434 2.147 20 30 DEEDHO C#CCCOc1ccc(CNCCC[N@H+](C)CCOC)cc1 ZINC000264952107 204299041 /nfs/dbraw/zinc/29/90/41/204299041.db2.gz KVJRQIRWPHMPFQ-UHFFFAOYSA-N 1 3 304.434 2.147 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(CSC)c1 ZINC000187852510 285284428 /nfs/dbraw/zinc/28/44/28/285284428.db2.gz RZNVQNZOPSFGRQ-INIZCTEOSA-N 1 3 320.506 2.438 20 30 DEEDHO C=CCN1CCC(NC(=O)N2CC[C@H](C[N@@H+](C)CCC)C2)CC1 ZINC000074132483 401731285 /nfs/dbraw/zinc/73/12/85/401731285.db2.gz ACQHPAFOHKFKGN-MRXNPFEDSA-N 1 3 322.497 2.010 20 30 DEEDHO C=CCN1CCC(NC(=O)N2CC[C@H](C[N@H+](C)CCC)C2)CC1 ZINC000074132483 401731286 /nfs/dbraw/zinc/73/12/86/401731286.db2.gz ACQHPAFOHKFKGN-MRXNPFEDSA-N 1 3 322.497 2.010 20 30 DEEDHO CN(CCC(=O)Nc1ccccc1C#N)C[C@H]1CCC[N@H+](C)C1 ZINC000118841596 401910927 /nfs/dbraw/zinc/91/09/27/401910927.db2.gz OERXKWSKIGMFJB-HNNXBMFYSA-N 1 3 314.433 2.160 20 30 DEEDHO CN(CCC(=O)Nc1ccccc1C#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841596 401910929 /nfs/dbraw/zinc/91/09/29/401910929.db2.gz OERXKWSKIGMFJB-HNNXBMFYSA-N 1 3 314.433 2.160 20 30 DEEDHO CC[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(C#N)cc1 ZINC000278352993 402863807 /nfs/dbraw/zinc/86/38/07/402863807.db2.gz ZIGIJSFUFFKLML-GOSISDBHSA-N 1 3 301.434 2.446 20 30 DEEDHO CN(CC1([NH+](C)C)CCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280182377 402972678 /nfs/dbraw/zinc/97/26/78/402972678.db2.gz YIVYLESOVDJLCR-QGZVFWFLSA-N 1 3 324.428 2.183 20 30 DEEDHO C#CCN(C)CCC[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000295070485 403750706 /nfs/dbraw/zinc/75/07/06/403750706.db2.gz RZVPJWRHBHYGKJ-QUCCMNQESA-N 1 3 313.489 2.442 20 30 DEEDHO C=CCN1CCC(NC(=O)Nc2cccc(C[NH2+]C)c2)CC1 ZINC000415924460 404972277 /nfs/dbraw/zinc/97/22/77/404972277.db2.gz YIGUHEXTKZWREJ-UHFFFAOYSA-N 1 3 302.422 2.178 20 30 DEEDHO C[C@@H](CCNC(=O)[C@H](N)CCCC#N)[N@H+](C)Cc1ccccc1 ZINC000424155983 405025245 /nfs/dbraw/zinc/02/52/45/405025245.db2.gz OMLRALODKHCEAC-DOTOQJQBSA-N 1 3 316.449 2.034 20 30 DEEDHO C[C@@H](CCNC(=O)[C@H](N)CCCC#N)[N@@H+](C)Cc1ccccc1 ZINC000424155983 405025249 /nfs/dbraw/zinc/02/52/49/405025249.db2.gz OMLRALODKHCEAC-DOTOQJQBSA-N 1 3 316.449 2.034 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])C(C)C ZINC000424455260 405100037 /nfs/dbraw/zinc/10/00/37/405100037.db2.gz RKPYVRHVWLETHT-ZACQAIPSSA-N 1 3 322.497 2.254 20 30 DEEDHO CC#CC[C@H](CO)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000641767589 406887650 /nfs/dbraw/zinc/88/76/50/406887650.db2.gz MBKMQJFYPDXASD-YTQUADARSA-N 1 3 300.446 2.403 20 30 DEEDHO CC#CC[C@H](CO)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000641767589 406887651 /nfs/dbraw/zinc/88/76/51/406887651.db2.gz MBKMQJFYPDXASD-YTQUADARSA-N 1 3 300.446 2.403 20 30 DEEDHO C[NH+](C)CC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000330981813 226048476 /nfs/dbraw/zinc/04/84/76/226048476.db2.gz HFQIJEYOCUXNAZ-GOSISDBHSA-N 1 3 324.428 2.041 20 30 DEEDHO C#CCOc1ccc(CNC[C@@H](CC[NH+](C)C)OCC)cc1 ZINC000267847756 275718550 /nfs/dbraw/zinc/71/85/50/275718550.db2.gz DRPFFUOKJZRXNJ-GOSISDBHSA-N 1 3 304.434 2.145 20 30 DEEDHO CC[C@@H]([NH2+]CC#CCN[C@@H](CC)[C@@H]1CCCO1)[C@@H]1CCCO1 ZINC000350725397 280184857 /nfs/dbraw/zinc/18/48/57/280184857.db2.gz WLBZBAPWBUVGCM-MHORFTMASA-N 1 3 308.466 2.084 20 30 DEEDHO CC[C@@H](NCC#CC[NH2+][C@@H](CC)[C@@H]1CCCO1)[C@@H]1CCCO1 ZINC000350725397 280184859 /nfs/dbraw/zinc/18/48/59/280184859.db2.gz WLBZBAPWBUVGCM-MHORFTMASA-N 1 3 308.466 2.084 20 30 DEEDHO N#C[C@@H]1CC[C@@H](NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000583360686 332352930 /nfs/dbraw/zinc/35/29/30/332352930.db2.gz DKMMMIKSVONKTM-ATZDWAIDSA-N 1 3 313.445 2.425 20 30 DEEDHO N#C[C@@H]1CC[C@@H](NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000583360686 332352932 /nfs/dbraw/zinc/35/29/32/332352932.db2.gz DKMMMIKSVONKTM-ATZDWAIDSA-N 1 3 313.445 2.425 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176154404 340425389 /nfs/dbraw/zinc/42/53/89/340425389.db2.gz ZMPJOCAMECKZRL-IRXDYDNUSA-N 1 3 322.497 2.199 20 30 DEEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001357582483 1152315618 /nfs/dbraw/zinc/31/56/18/1152315618.db2.gz WTHVJRQTTYAEMX-PVAVHDDUSA-N 1 3 305.466 2.145 20 30 DEEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001357582483 1152315622 /nfs/dbraw/zinc/31/56/22/1152315622.db2.gz WTHVJRQTTYAEMX-PVAVHDDUSA-N 1 3 305.466 2.145 20 30 DEEDHO C[NH+]=C(NC[C@H](C)N1CCC[C@@H](C)C1)NC[C@@H]1CCCS1 ZINC000262002213 526375144 /nfs/dbraw/zinc/37/51/44/526375144.db2.gz UTCGFXUJSUVHNU-ILXRZTDVSA-N 1 3 312.527 2.167 20 30 DEEDHO C[NH+]=C(NC[C@]1(N(C)C)CCC[C@H](C)C1)N1CC[C@H](COC)C1 ZINC000262463241 526378573 /nfs/dbraw/zinc/37/85/73/526378573.db2.gz NCCVESZJFANYGO-BQFCYCMXSA-N 1 3 324.513 2.041 20 30 DEEDHO C=CCN1CCC(NC(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000417523750 526432838 /nfs/dbraw/zinc/43/28/38/526432838.db2.gz ISJOMTGGNMRZFK-UHFFFAOYSA-N 1 3 322.497 2.248 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000417537364 526583487 /nfs/dbraw/zinc/58/34/87/526583487.db2.gz LOWIAFQFJRXGCE-MRXNPFEDSA-N 1 3 310.486 2.042 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023761795 625427334 /nfs/dbraw/zinc/42/73/34/625427334.db2.gz JMQZXVFMKPPSDA-KRWDZBQOSA-N 1 3 315.461 2.376 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023761795 625427336 /nfs/dbraw/zinc/42/73/36/625427336.db2.gz JMQZXVFMKPPSDA-KRWDZBQOSA-N 1 3 315.461 2.376 20 30 DEEDHO C=C(Cl)C[NH2+]C1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001026560794 625523650 /nfs/dbraw/zinc/52/36/50/625523650.db2.gz DUJGMHUJUCCOCE-GRTSSRMGSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000998868399 634429040 /nfs/dbraw/zinc/42/90/40/634429040.db2.gz XQHXXQYGZCVDET-NRXISQOPSA-N 1 3 313.873 2.192 20 30 DEEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000998868399 634429041 /nfs/dbraw/zinc/42/90/41/634429041.db2.gz XQHXXQYGZCVDET-NRXISQOPSA-N 1 3 313.873 2.192 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001023365186 625239751 /nfs/dbraw/zinc/23/97/51/625239751.db2.gz YZQNNRBEYHUMRO-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001023365186 625239756 /nfs/dbraw/zinc/23/97/56/625239756.db2.gz YZQNNRBEYHUMRO-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001024436908 625770132 /nfs/dbraw/zinc/77/01/32/625770132.db2.gz JZFBHCGFBUEBFH-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001024436908 625770139 /nfs/dbraw/zinc/77/01/39/625770139.db2.gz JZFBHCGFBUEBFH-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC000997080450 633568220 /nfs/dbraw/zinc/56/82/20/633568220.db2.gz VFEKNXXUQJEVDT-SJLPKXTDSA-N 1 3 319.493 2.099 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCN2C)CC1 ZINC000997951661 634074261 /nfs/dbraw/zinc/07/42/61/634074261.db2.gz YNNNYQYAYOQNQS-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCN2C)CC1 ZINC000997951661 634074267 /nfs/dbraw/zinc/07/42/67/634074267.db2.gz YNNNYQYAYOQNQS-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000980483704 635016765 /nfs/dbraw/zinc/01/67/65/635016765.db2.gz SCHPDJIVOHFASC-INIZCTEOSA-N 1 3 301.434 2.081 20 30 DEEDHO C=CC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000980483704 635016767 /nfs/dbraw/zinc/01/67/67/635016767.db2.gz SCHPDJIVOHFASC-INIZCTEOSA-N 1 3 301.434 2.081 20 30 DEEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001028088489 635458644 /nfs/dbraw/zinc/45/86/44/635458644.db2.gz JQKVZUFLVWFIPW-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001028088489 635458648 /nfs/dbraw/zinc/45/86/48/635458648.db2.gz JQKVZUFLVWFIPW-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCN1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000981524796 635514758 /nfs/dbraw/zinc/51/47/58/635514758.db2.gz IECBXMDLLFPIOI-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCN1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000981524796 635514761 /nfs/dbraw/zinc/51/47/61/635514761.db2.gz IECBXMDLLFPIOI-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001004473895 636463982 /nfs/dbraw/zinc/46/39/82/636463982.db2.gz NCYICDKDXFAEIX-QZTJIDSGSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001004473895 636463984 /nfs/dbraw/zinc/46/39/84/636463984.db2.gz NCYICDKDXFAEIX-QZTJIDSGSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)C ZINC000747990487 638498284 /nfs/dbraw/zinc/49/82/84/638498284.db2.gz OOJTZPRIDVOIPJ-UHFFFAOYSA-N 1 3 322.497 2.151 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000764565895 640655587 /nfs/dbraw/zinc/65/55/87/640655587.db2.gz OJVZUGOTJWYZHA-QGZVFWFLSA-N 1 3 315.461 2.227 20 30 DEEDHO C=CCN1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990759593 641946154 /nfs/dbraw/zinc/94/61/54/641946154.db2.gz DQHUJRKLTSUDTL-BVIKNXMNSA-N 1 3 305.466 2.016 20 30 DEEDHO C=CCN1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990759593 641946156 /nfs/dbraw/zinc/94/61/56/641946156.db2.gz DQHUJRKLTSUDTL-BVIKNXMNSA-N 1 3 305.466 2.016 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000900419428 642364824 /nfs/dbraw/zinc/36/48/24/642364824.db2.gz XWSOFDKCLOTZDI-UHFFFAOYSA-N 1 3 303.450 2.085 20 30 DEEDHO C=CCN(Cc1ccc(OC)cc1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722522 643439312 /nfs/dbraw/zinc/43/93/12/643439312.db2.gz MAFQYMPBIMMYMY-OALUTQOASA-N 1 3 316.445 2.452 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940754355 648940018 /nfs/dbraw/zinc/94/00/18/648940018.db2.gz WUCGNKNNBCSZMU-XHSDSOJGSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940754355 648940019 /nfs/dbraw/zinc/94/00/19/648940019.db2.gz WUCGNKNNBCSZMU-XHSDSOJGSA-N 1 3 307.482 2.119 20 30 DEEDHO CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000940785581 648941242 /nfs/dbraw/zinc/94/12/42/648941242.db2.gz OIHWHURKPBQCJT-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000940785581 648941245 /nfs/dbraw/zinc/94/12/45/648941245.db2.gz OIHWHURKPBQCJT-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC000941186497 649018896 /nfs/dbraw/zinc/01/88/96/649018896.db2.gz KRZSLDWVJYWVHU-INIZCTEOSA-N 1 3 318.465 2.444 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC000941186497 649018899 /nfs/dbraw/zinc/01/88/99/649018899.db2.gz KRZSLDWVJYWVHU-INIZCTEOSA-N 1 3 318.465 2.444 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC000941186723 649018955 /nfs/dbraw/zinc/01/89/55/649018955.db2.gz PQKPARKAGCYAPL-OAHLLOKOSA-N 1 3 304.438 2.053 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC000941186723 649018957 /nfs/dbraw/zinc/01/89/57/649018957.db2.gz PQKPARKAGCYAPL-OAHLLOKOSA-N 1 3 304.438 2.053 20 30 DEEDHO N#CCCC[C@H](N)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000827863852 649096893 /nfs/dbraw/zinc/09/68/93/649096893.db2.gz QBHKGUIPJXIFPY-KRWDZBQOSA-N 1 3 320.481 2.168 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945028576 649600261 /nfs/dbraw/zinc/60/02/61/649600261.db2.gz JTYLEOXMSVDVAT-CRAIPNDOSA-N 1 3 315.461 2.374 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945028576 649600262 /nfs/dbraw/zinc/60/02/62/649600262.db2.gz JTYLEOXMSVDVAT-CRAIPNDOSA-N 1 3 315.461 2.374 20 30 DEEDHO CCOc1cc(C)ccc1CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000305036512 685265853 /nfs/dbraw/zinc/26/58/53/685265853.db2.gz STHGBIJFOKMBBP-MRXNPFEDSA-N 1 3 318.465 2.282 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001054199390 693880667 /nfs/dbraw/zinc/88/06/67/693880667.db2.gz VQZILXFAGXLUSN-WMZOPIPTSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001054199390 693880671 /nfs/dbraw/zinc/88/06/71/693880671.db2.gz VQZILXFAGXLUSN-WMZOPIPTSA-N 1 3 307.482 2.217 20 30 DEEDHO N#Cc1cc(F)ccc1N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000866702544 687658523 /nfs/dbraw/zinc/65/85/23/687658523.db2.gz CNFRABPHLHXLEB-HNNXBMFYSA-N 1 3 316.424 2.209 20 30 DEEDHO C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001016652743 687675055 /nfs/dbraw/zinc/67/50/55/687675055.db2.gz WILUTYIDUQTKMD-IRXDYDNUSA-N 1 3 319.493 2.408 20 30 DEEDHO N#CC1(CCCC[NH+]2CCC(N3CC[C@@H](O)C3)CC2)CCC1 ZINC000931064716 694308484 /nfs/dbraw/zinc/30/84/84/694308484.db2.gz BPVUXROWMZXHNX-QGZVFWFLSA-N 1 3 305.466 2.382 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000876723545 689916226 /nfs/dbraw/zinc/91/62/26/689916226.db2.gz DPRRECGCRQVRFN-JKSUJKDBSA-N 1 3 321.852 2.410 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000876723817 689916322 /nfs/dbraw/zinc/91/63/22/689916322.db2.gz XVRZEMCPDUDVSE-ZIAGYGMSSA-N 1 3 301.862 2.083 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000876738948 689923233 /nfs/dbraw/zinc/92/32/33/689923233.db2.gz 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ZINC001039136732 691030657 /nfs/dbraw/zinc/03/06/57/691030657.db2.gz OHJFSZMROBODFH-ZWKOTPCHSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001039136732 691030659 /nfs/dbraw/zinc/03/06/59/691030659.db2.gz OHJFSZMROBODFH-ZWKOTPCHSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@@H](C)C1 ZINC001039437120 691105862 /nfs/dbraw/zinc/10/58/62/691105862.db2.gz BIUOTVCREGIIHG-KURKYZTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@@H](C)C1 ZINC001039437120 691105863 /nfs/dbraw/zinc/10/58/63/691105863.db2.gz BIUOTVCREGIIHG-KURKYZTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001040398941 691241850 /nfs/dbraw/zinc/24/18/50/691241850.db2.gz MLUBHCCNODACKX-WMZOPIPTSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001040398941 691241851 /nfs/dbraw/zinc/24/18/51/691241851.db2.gz MLUBHCCNODACKX-WMZOPIPTSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041353850 691366109 /nfs/dbraw/zinc/36/61/09/691366109.db2.gz KOXFZZHMRLAESY-GOSISDBHSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041353850 691366110 /nfs/dbraw/zinc/36/61/10/691366110.db2.gz KOXFZZHMRLAESY-GOSISDBHSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H](C)C1 ZINC001044794647 691888470 /nfs/dbraw/zinc/88/84/70/691888470.db2.gz XNPJTVQISSKEKJ-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049545795 692917423 /nfs/dbraw/zinc/91/74/23/692917423.db2.gz MVEBFTRDMAIPNF-DLBZAZTESA-N 1 3 317.477 2.114 20 30 DEEDHO C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)CC1 ZINC001050765646 693247067 /nfs/dbraw/zinc/24/70/67/693247067.db2.gz UWOVAUFBCMJZCH-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001052375981 693518048 /nfs/dbraw/zinc/51/80/48/693518048.db2.gz ARHRMBCBJAVUIZ-QGZVFWFLSA-N 1 3 319.493 2.245 20 30 DEEDHO CC#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001052375981 693518049 /nfs/dbraw/zinc/51/80/49/693518049.db2.gz ARHRMBCBJAVUIZ-QGZVFWFLSA-N 1 3 319.493 2.245 20 30 DEEDHO C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC001393738485 1157942122 /nfs/dbraw/zinc/94/21/22/1157942122.db2.gz LIQJCXIXKFHMQM-AWEZNQCLSA-N 1 3 313.873 2.194 20 30 DEEDHO C=C(Cl)CN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001401327843 1161933137 /nfs/dbraw/zinc/93/31/37/1161933137.db2.gz VZAYMJWOIVDOSD-RRFJBIMHSA-N 1 3 315.889 2.200 20 30 DEEDHO C=C(Cl)CN[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001401327843 1161933135 /nfs/dbraw/zinc/93/31/35/1161933135.db2.gz VZAYMJWOIVDOSD-RRFJBIMHSA-N 1 3 315.889 2.200 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC001574849591 1166677935 /nfs/dbraw/zinc/67/79/35/1166677935.db2.gz QEOASPKTSPJUQS-CQSZACIVSA-N 1 3 301.862 2.179 20 30 DEEDHO C=C(Cl)CNCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001421507558 1171826314 /nfs/dbraw/zinc/82/63/14/1171826314.db2.gz GJODMMIXRRXEDB-ZIAGYGMSSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CNCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001421507558 1171826317 /nfs/dbraw/zinc/82/63/17/1171826317.db2.gz GJODMMIXRRXEDB-ZIAGYGMSSA-N 1 3 313.873 2.098 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[C@@H]1C ZINC000947617376 783189978 /nfs/dbraw/zinc/18/99/78/783189978.db2.gz XXMFUGICZJWSHM-HOTGVXAUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[C@@H]1C ZINC000947617376 783189985 /nfs/dbraw/zinc/18/99/85/783189985.db2.gz XXMFUGICZJWSHM-HOTGVXAUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCN(CC=C)CCN1CC[NH+](CC(C)(C)OCC)CC1 ZINC001209074375 776659420 /nfs/dbraw/zinc/65/94/20/776659420.db2.gz AYWRIWVCKFGXTG-UHFFFAOYSA-N 1 3 309.498 2.093 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)[C@H]1CC ZINC001087593319 779368728 /nfs/dbraw/zinc/36/87/28/779368728.db2.gz BCQNYUDCIHWZSF-GVDBMIGSSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)[C@H]1CC ZINC001087593319 779368732 /nfs/dbraw/zinc/36/87/32/779368732.db2.gz BCQNYUDCIHWZSF-GVDBMIGSSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993492 779620609 /nfs/dbraw/zinc/62/06/09/779620609.db2.gz QCXMBVQLHDVCGE-FGTMMUONSA-N 1 3 319.493 2.073 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993492 779620617 /nfs/dbraw/zinc/62/06/17/779620617.db2.gz QCXMBVQLHDVCGE-FGTMMUONSA-N 1 3 319.493 2.073 20 30 DEEDHO C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN(C)C(C)C)CCC1 ZINC001105578776 780776246 /nfs/dbraw/zinc/77/62/46/780776246.db2.gz GUKZFDNXMVVRBY-KRWDZBQOSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001085284715 783619498 /nfs/dbraw/zinc/61/94/98/783619498.db2.gz IVXOLZKGDJQRDP-ZACQAIPSSA-N 1 3 305.466 2.064 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001085639040 783914865 /nfs/dbraw/zinc/91/48/65/783914865.db2.gz GVXAQWPPHWBXAV-QZTJIDSGSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001085639040 783914870 /nfs/dbraw/zinc/91/48/70/783914870.db2.gz GVXAQWPPHWBXAV-QZTJIDSGSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001008751162 785294134 /nfs/dbraw/zinc/29/41/34/785294134.db2.gz ZARATFKEWRJPLH-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001008751162 785294143 /nfs/dbraw/zinc/29/41/43/785294143.db2.gz ZARATFKEWRJPLH-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001108703782 785494311 /nfs/dbraw/zinc/49/43/11/785494311.db2.gz VKSPBYKKCHYODV-JYJNAYRXSA-N 1 3 305.466 2.016 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCC)C2 ZINC001108803648 785548083 /nfs/dbraw/zinc/54/80/83/785548083.db2.gz DUWURBVIXSLVJM-BBWFWOEESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[C@@H](C)N1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001113403038 786569572 /nfs/dbraw/zinc/56/95/72/786569572.db2.gz PTDHMYHDOMUCTL-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014430816 786583640 /nfs/dbraw/zinc/58/36/40/786583640.db2.gz HHTJCLNQHXQKMR-DLBZAZTESA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014430816 786583645 /nfs/dbraw/zinc/58/36/45/786583645.db2.gz HHTJCLNQHXQKMR-DLBZAZTESA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCCN1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001014731178 786730337 /nfs/dbraw/zinc/73/03/37/786730337.db2.gz ZNVYYYWKUZJBFO-NVXWUHKLSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCCN1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001014731178 786730345 /nfs/dbraw/zinc/73/03/45/786730345.db2.gz ZNVYYYWKUZJBFO-NVXWUHKLSA-N 1 3 305.466 2.160 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)CC[C@H]1C ZINC001132937039 788231673 /nfs/dbraw/zinc/23/16/73/788231673.db2.gz FVKZDHJTQYXTGV-HZPDHXFCSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133345581 788375473 /nfs/dbraw/zinc/37/54/73/788375473.db2.gz DVXOUZGFKLHHFR-ZFWWWQNUSA-N 1 3 315.889 2.153 20 30 DEEDHO C=C(C)CN1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071871192 789951317 /nfs/dbraw/zinc/95/13/17/789951317.db2.gz GNHFXKDQULXWCX-NVXWUHKLSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC=C(C)C)CC1 ZINC001146613964 791323988 /nfs/dbraw/zinc/32/39/88/791323988.db2.gz WBBNOZYZYHLIGV-DLBZAZTESA-N 1 3 319.493 2.171 20 30 DEEDHO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146625549 791325563 /nfs/dbraw/zinc/32/55/63/791325563.db2.gz YUOWATLDQQVWKM-LSDHHAIUSA-N 1 3 303.450 2.421 20 30 DEEDHO C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001086946136 791858637 /nfs/dbraw/zinc/85/86/37/791858637.db2.gz QYFILVMLTIHSNU-OAHLLOKOSA-N 1 3 316.449 2.231 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368132 793587208 /nfs/dbraw/zinc/58/72/08/793587208.db2.gz GJNKGLMBAVXCQX-IXDOHACOSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368132 793587215 /nfs/dbraw/zinc/58/72/15/793587215.db2.gz GJNKGLMBAVXCQX-IXDOHACOSA-N 1 3 307.482 2.121 20 30 DEEDHO C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCCN1CC ZINC001180372543 795292717 /nfs/dbraw/zinc/29/27/17/795292717.db2.gz ARYMNYCQILLIJB-KRWDZBQOSA-N 1 3 307.482 2.150 20 30 DEEDHO C#CCN1CCC(C(=O)NCC2([NH2+]CCC)CCCCC2)CC1 ZINC001120196501 795420365 /nfs/dbraw/zinc/42/03/65/795420365.db2.gz HOMWTUXIZFTIKN-UHFFFAOYSA-N 1 3 319.493 2.150 20 30 DEEDHO C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1C ZINC001181441528 795479708 /nfs/dbraw/zinc/47/97/08/795479708.db2.gz QCSPCFSTKOITCR-JFIYKMOQSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)CC[NH2+]C1CC2(CC(NC(=O)CN3CCC[C@H]3C)C2)C1 ZINC001121767534 795684965 /nfs/dbraw/zinc/68/49/65/795684965.db2.gz GIYKBZASUUKWDW-FIXVGMIGSA-N 1 3 319.493 2.454 20 30 DEEDHO C=C(C)CC[NH2+]C1CC2(CC(NC(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001121773116 795685595 /nfs/dbraw/zinc/68/55/95/795685595.db2.gz OIQVORMCZBIGDE-KZIPQDEESA-N 1 3 319.493 2.311 20 30 DEEDHO C=CCCC[C@@H](N)C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC001121922279 795704442 /nfs/dbraw/zinc/70/44/42/795704442.db2.gz YPNVWVRFSYBHPA-QGZVFWFLSA-N 1 3 319.449 2.273 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001182637380 795717222 /nfs/dbraw/zinc/71/72/22/795717222.db2.gz BUQFPJYQIMVCEU-IVMMDQJWSA-N 1 3 315.889 2.153 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001184555843 796083784 /nfs/dbraw/zinc/08/37/84/796083784.db2.gz MIPFZJCQLIJQPM-JKSUJKDBSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001185379261 796244486 /nfs/dbraw/zinc/24/44/86/796244486.db2.gz AZWRKRQYFYSNQU-ZWKOTPCHSA-N 1 3 321.509 2.369 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203029612 796516022 /nfs/dbraw/zinc/51/60/22/796516022.db2.gz UKWDSEGSPTVBLB-HUUCEWRRSA-N 1 3 305.466 2.064 20 30 DEEDHO C=CCC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)N(C)CC)C12CCC2 ZINC001203105812 796652277 /nfs/dbraw/zinc/65/22/77/796652277.db2.gz YKCREUHVZQIGOR-CABCVRRESA-N 1 3 307.482 2.310 20 30 DEEDHO CC#CCN(CC)[C@H](C)CNC(=O)c1ccccc1C[NH+](C)C ZINC001157138366 798148542 /nfs/dbraw/zinc/14/85/42/798148542.db2.gz XFRHMMHLLHUNMC-MRXNPFEDSA-N 1 3 315.461 2.212 20 30 DEEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001157973859 798318684 /nfs/dbraw/zinc/31/86/84/798318684.db2.gz UKZPGSOKADCMDC-IXDOHACOSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001157973859 798318688 /nfs/dbraw/zinc/31/86/88/798318688.db2.gz UKZPGSOKADCMDC-IXDOHACOSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCN1CCC[C@H]1CNc1nccc(C2CC[NH2+]CC2)n1 ZINC001160953484 798769245 /nfs/dbraw/zinc/76/92/45/798769245.db2.gz BVQADPXDDRGCDF-HNNXBMFYSA-N 1 3 301.438 2.006 20 30 DEEDHO C=CC[N@H+]1CC=C(CCNC(=O)CN2CCC(C)CC2)CC1 ZINC001161553526 798883303 /nfs/dbraw/zinc/88/33/03/798883303.db2.gz CSIBZXMBRAAIQU-UHFFFAOYSA-N 1 3 305.466 2.043 20 30 DEEDHO C=CC[N@@H+]1CC=C(CCNC(=O)CN2CCC(C)CC2)CC1 ZINC001161553526 798883309 /nfs/dbraw/zinc/88/33/09/798883309.db2.gz CSIBZXMBRAAIQU-UHFFFAOYSA-N 1 3 305.466 2.043 20 30 DEEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001110693916 798969592 /nfs/dbraw/zinc/96/95/92/798969592.db2.gz WAJXZUMHMMONHK-NCOADZHNSA-N 1 3 307.482 2.260 20 30 DEEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001110693916 798969597 /nfs/dbraw/zinc/96/95/97/798969597.db2.gz WAJXZUMHMMONHK-NCOADZHNSA-N 1 3 307.482 2.260 20 30 DEEDHO C=CCCC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001165485570 799736889 /nfs/dbraw/zinc/73/68/89/799736889.db2.gz ZCDZAWWDXIHKRO-MRXNPFEDSA-N 1 3 307.482 2.169 20 30 DEEDHO C=C(C)CC[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166687506 799922355 /nfs/dbraw/zinc/92/23/55/799922355.db2.gz UIAXKKQWJSSTKX-KRWDZBQOSA-N 1 3 313.461 2.261 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203514888 800066848 /nfs/dbraw/zinc/06/68/48/800066848.db2.gz PHLTXYGIDYAYIY-KGLIPLIRSA-N 1 3 313.873 2.098 20 30 DEEDHO C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001204793843 800258117 /nfs/dbraw/zinc/25/81/17/800258117.db2.gz PHDFAJYUDGWVMW-RDJZCZTQSA-N 1 3 307.482 2.264 20 30 DEEDHO COc1cccc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c1C#N ZINC001218977327 802267932 /nfs/dbraw/zinc/26/79/32/802267932.db2.gz ADCTWMRJJGYWTB-AWEZNQCLSA-N 1 3 318.421 2.001 20 30 DEEDHO C=CCCC[NH+]1CCC(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001224558846 802881924 /nfs/dbraw/zinc/88/19/24/802881924.db2.gz IUXDXXBREREIRG-MRXNPFEDSA-N 1 3 307.482 2.123 20 30 DEEDHO C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001227817924 803284209 /nfs/dbraw/zinc/28/42/09/803284209.db2.gz PDULCHPGRPLUHN-YOEHRIQHSA-N 1 3 307.482 2.262 20 30 DEEDHO CCC1([NH+]2CCCCC2)CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC001330935378 1149338781 /nfs/dbraw/zinc/33/87/81/1149338781.db2.gz NYERJSDDCWSHFY-MRXNPFEDSA-N 1 3 320.481 2.265 20 30 DEEDHO C=CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001501051380 1059235305 /nfs/dbraw/zinc/23/53/05/1059235305.db2.gz VNWZVURIZOYTGB-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)CN(C)C(C)C)CC1 ZINC001505791981 1060969972 /nfs/dbraw/zinc/96/99/72/1060969972.db2.gz UJQPJYOJGWVCOX-UHFFFAOYSA-N 1 3 315.889 2.438 20 30 DEEDHO CC#CCN(C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001479791771 1061775043 /nfs/dbraw/zinc/77/50/43/1061775043.db2.gz SGMOYRWADOQCIZ-GOSISDBHSA-N 1 3 319.493 2.245 20 30 DEEDHO CC#CCN(C)CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001479791771 1061775056 /nfs/dbraw/zinc/77/50/56/1061775056.db2.gz SGMOYRWADOQCIZ-GOSISDBHSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCCCN1CC)C(C)C ZINC001506489099 1062035753 /nfs/dbraw/zinc/03/57/53/1062035753.db2.gz OHYQXZFXOCNCAQ-MSOLQXFVSA-N 1 3 321.509 2.347 20 30 DEEDHO C=C(C)C[N@H+]1CCCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001506864302 1062448910 /nfs/dbraw/zinc/44/89/10/1062448910.db2.gz HYMAHIVDWLASOL-UHFFFAOYSA-N 1 3 321.509 2.465 20 30 DEEDHO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001506864302 1062448922 /nfs/dbraw/zinc/44/89/22/1062448922.db2.gz HYMAHIVDWLASOL-UHFFFAOYSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCN1CC=C(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001508231295 1063624057 /nfs/dbraw/zinc/62/40/57/1063624057.db2.gz XSMDMLRUCDGFQD-GOSISDBHSA-N 1 3 319.493 2.431 20 30 DEEDHO C=CCN(CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001567442192 1064201304 /nfs/dbraw/zinc/20/13/04/1064201304.db2.gz GQQMHCRQAOARRY-INIZCTEOSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCN(CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001567442192 1064201310 /nfs/dbraw/zinc/20/13/10/1064201310.db2.gz GQQMHCRQAOARRY-INIZCTEOSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001568357928 1064801923 /nfs/dbraw/zinc/80/19/23/1064801923.db2.gz NLIFMBPUWLBAEF-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001568368249 1064811434 /nfs/dbraw/zinc/81/14/34/1064811434.db2.gz FDHOSGANKWJTCK-DLBZAZTESA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN(C)CC(C)(C)C ZINC001568535574 1064946940 /nfs/dbraw/zinc/94/69/40/1064946940.db2.gz FQRVDRHVOACOAB-HOTGVXAUSA-N 1 3 309.498 2.415 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001569247390 1065392915 /nfs/dbraw/zinc/39/29/15/1065392915.db2.gz NOUDERPQNGYIPI-CABCVRRESA-N 1 3 313.873 2.194 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001569247390 1065392931 /nfs/dbraw/zinc/39/29/31/1065392931.db2.gz NOUDERPQNGYIPI-CABCVRRESA-N 1 3 313.873 2.194 20 30 DEEDHO CC#CC[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CCCCC1 ZINC001496312539 1065399948 /nfs/dbraw/zinc/39/99/48/1065399948.db2.gz QWRTUVAILARGFA-QGZVFWFLSA-N 1 3 319.493 2.149 20 30 DEEDHO C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001569864649 1065775025 /nfs/dbraw/zinc/77/50/25/1065775025.db2.gz FDBRAFFVXUNSQN-QAQDUYKDSA-N 1 3 321.509 2.110 20 30 DEEDHO C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001570005140 1065873703 /nfs/dbraw/zinc/87/37/03/1065873703.db2.gz MEGHQKLCNUFAQP-IAGOWNOFSA-N 1 3 307.482 2.123 20 30 DEEDHO CC#CCN1CC[C@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001570274517 1066000437 /nfs/dbraw/zinc/00/04/37/1066000437.db2.gz FHWZWHYNMJGWGV-IBGZPJMESA-N 1 3 319.493 2.056 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001498379668 1066666316 /nfs/dbraw/zinc/66/63/16/1066666316.db2.gz ATILBOQXRLMNAB-RHSMWYFYSA-N 1 3 313.461 2.212 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001498379668 1066666325 /nfs/dbraw/zinc/66/63/25/1066666325.db2.gz ATILBOQXRLMNAB-RHSMWYFYSA-N 1 3 313.461 2.212 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001498379667 1066666733 /nfs/dbraw/zinc/66/67/33/1066666733.db2.gz ATILBOQXRLMNAB-PBHICJAKSA-N 1 3 313.461 2.212 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001498379667 1066666739 /nfs/dbraw/zinc/66/67/39/1066666739.db2.gz ATILBOQXRLMNAB-PBHICJAKSA-N 1 3 313.461 2.212 20 30 DEEDHO C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001267114901 1078592757 /nfs/dbraw/zinc/59/27/57/1078592757.db2.gz MXTNTSCGXOEQHT-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001267114901 1078592761 /nfs/dbraw/zinc/59/27/61/1078592761.db2.gz MXTNTSCGXOEQHT-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001571492765 1068349147 /nfs/dbraw/zinc/34/91/47/1068349147.db2.gz IMYDYVMJHCJYQE-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CN(CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1CC1 ZINC001267334011 1078772883 /nfs/dbraw/zinc/77/28/83/1078772883.db2.gz UVRGZZQPUDNJJC-IRXDYDNUSA-N 1 3 305.466 2.160 20 30 DEEDHO C=C(C)CN(CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1CC1 ZINC001267334011 1078772887 /nfs/dbraw/zinc/77/28/87/1078772887.db2.gz UVRGZZQPUDNJJC-IRXDYDNUSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCN[C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001267357865 1078790588 /nfs/dbraw/zinc/79/05/88/1078790588.db2.gz SQZVSYJVPPYPCO-QZTJIDSGSA-N 1 3 315.461 2.492 20 30 DEEDHO C=CCN[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001267357865 1078790593 /nfs/dbraw/zinc/79/05/93/1078790593.db2.gz SQZVSYJVPPYPCO-QZTJIDSGSA-N 1 3 315.461 2.492 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001267459763 1078868475 /nfs/dbraw/zinc/86/84/75/1078868475.db2.gz MPORELOMBTVAGA-MSOLQXFVSA-N 1 3 319.493 2.217 20 30 DEEDHO C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001565985089 1075213202 /nfs/dbraw/zinc/21/32/02/1075213202.db2.gz UFFUPSYGYNUNGX-SJLPKXTDSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@@H]2C1 ZINC001566049372 1075220984 /nfs/dbraw/zinc/22/09/84/1075220984.db2.gz AJRMOPYGJPZSKI-IKGGRYGDSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@@H]2C1 ZINC001566049372 1075220988 /nfs/dbraw/zinc/22/09/88/1075220988.db2.gz AJRMOPYGJPZSKI-IKGGRYGDSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)C[N@H+](C)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001566490800 1075259315 /nfs/dbraw/zinc/25/93/15/1075259315.db2.gz CYOGDQWTGFUJEQ-KRWDZBQOSA-N 1 3 313.461 2.213 20 30 DEEDHO C=C(C)C[N@@H+](C)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001566490800 1075259317 /nfs/dbraw/zinc/25/93/17/1075259317.db2.gz CYOGDQWTGFUJEQ-KRWDZBQOSA-N 1 3 313.461 2.213 20 30 DEEDHO C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001267697671 1079385093 /nfs/dbraw/zinc/38/50/93/1079385093.db2.gz TYSSJCCURUSZSM-SFHVURJKSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001267697671 1079385102 /nfs/dbraw/zinc/38/51/02/1079385102.db2.gz TYSSJCCURUSZSM-SFHVURJKSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001566813830 1075351207 /nfs/dbraw/zinc/35/12/07/1075351207.db2.gz PHQIYMUSAWQHKN-QBPKDAKJSA-N 1 3 307.482 2.452 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@](C)(C[NH2+]CCCC)C2CC2)CC1 ZINC001267864572 1079552032 /nfs/dbraw/zinc/55/20/32/1079552032.db2.gz GSWVAJBPDGUPPU-IBGZPJMESA-N 1 3 319.493 2.006 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@@H]21 ZINC001656653183 1080110211 /nfs/dbraw/zinc/11/02/11/1080110211.db2.gz WHOCMRUURDJGAF-KBAYOESNSA-N 1 3 319.493 2.262 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@@H]21 ZINC001656653183 1080110216 /nfs/dbraw/zinc/11/02/16/1080110216.db2.gz WHOCMRUURDJGAF-KBAYOESNSA-N 1 3 319.493 2.262 20 30 DEEDHO C#CCC[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001661921990 1080545318 /nfs/dbraw/zinc/54/53/18/1080545318.db2.gz RZJNYFFVHUWXJL-QGZVFWFLSA-N 1 3 319.493 2.245 20 30 DEEDHO C=C(C)CN[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001664599523 1080931864 /nfs/dbraw/zinc/93/18/64/1080931864.db2.gz SHEMCDWOYPDXOW-WMZOPIPTSA-N 1 3 315.461 2.351 20 30 DEEDHO C=C(C)CN[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001664599523 1080931871 /nfs/dbraw/zinc/93/18/71/1080931871.db2.gz SHEMCDWOYPDXOW-WMZOPIPTSA-N 1 3 315.461 2.351 20 30 DEEDHO C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001664876439 1080974524 /nfs/dbraw/zinc/97/45/24/1080974524.db2.gz WQMRWYNSIDNKQU-KRWDZBQOSA-N 1 3 309.498 2.319 20 30 DEEDHO C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001664876439 1080974530 /nfs/dbraw/zinc/97/45/30/1080974530.db2.gz WQMRWYNSIDNKQU-KRWDZBQOSA-N 1 3 309.498 2.319 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1nc[nH]c1C ZINC001268771062 1080980209 /nfs/dbraw/zinc/98/02/09/1080980209.db2.gz QCZXUVNSNWLNBE-HOTGVXAUSA-N 1 3 318.465 2.491 20 30 DEEDHO C=CCN1CC[C@@H](N(CC)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001269356561 1081226273 /nfs/dbraw/zinc/22/62/73/1081226273.db2.gz RMBNTEDCUWDEEA-QGZVFWFLSA-N 1 3 307.482 2.361 20 30 DEEDHO C=C(C)C[NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001269540975 1081283496 /nfs/dbraw/zinc/28/34/96/1081283496.db2.gz SJJXGKFNBVDURM-UHFFFAOYSA-N 1 3 301.434 2.176 20 30 DEEDHO C#CCN(C(=O)[C@H](CC)N(C)C)C1CC[NH+](CC2CCC2)CC1 ZINC001671491612 1081519472 /nfs/dbraw/zinc/51/94/72/1081519472.db2.gz DZASSNLGZCFLLL-SFHVURJKSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CC[NH2+]C[C@H](NC(=O)CN(C)CC(C)(C)C)C1CCCC1 ZINC001671555390 1081523440 /nfs/dbraw/zinc/52/34/40/1081523440.db2.gz ZCIULVRCIXFSIG-INIZCTEOSA-N 1 3 309.498 2.415 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](F)CN(CC)CC ZINC001674457811 1081874681 /nfs/dbraw/zinc/87/46/81/1081874681.db2.gz NRHVNKVLMAAJQK-HZPDHXFCSA-N 1 3 313.461 2.165 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](F)CN(CC)CC ZINC001674457811 1081874685 /nfs/dbraw/zinc/87/46/85/1081874685.db2.gz NRHVNKVLMAAJQK-HZPDHXFCSA-N 1 3 313.461 2.165 20 30 DEEDHO C=CCCN1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001266328241 1081975308 /nfs/dbraw/zinc/97/53/08/1081975308.db2.gz XMCJYGBQMYGSOS-OAHLLOKOSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCN1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001266328241 1081975314 /nfs/dbraw/zinc/97/53/14/1081975314.db2.gz XMCJYGBQMYGSOS-OAHLLOKOSA-N 1 3 307.482 2.406 20 30 DEEDHO C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001482495844 1082120865 /nfs/dbraw/zinc/12/08/65/1082120865.db2.gz SWHLRFKYIVKTST-IAGOWNOFSA-N 1 3 321.509 2.204 20 30 DEEDHO C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001271778944 1082152827 /nfs/dbraw/zinc/15/28/27/1082152827.db2.gz QBNDPLVIVSHLTC-SFHVURJKSA-N 1 3 321.509 2.156 20 30 DEEDHO C#CCC[N@H+](C)CCC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001271778944 1082152828 /nfs/dbraw/zinc/15/28/28/1082152828.db2.gz QBNDPLVIVSHLTC-SFHVURJKSA-N 1 3 321.509 2.156 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266807005 1082359565 /nfs/dbraw/zinc/35/95/65/1082359565.db2.gz BFFHJFMSZLMWKB-IAGOWNOFSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001491173806 1084129295 /nfs/dbraw/zinc/12/92/95/1084129295.db2.gz UJMZHRUHNVDCPP-IRXDYDNUSA-N 1 3 307.482 2.123 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C(C)C ZINC001491247007 1084186059 /nfs/dbraw/zinc/18/60/59/1084186059.db2.gz IENKLQOOFYUOIZ-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO N#CCCC[N@@H+]1CCC[C@]2(CCCN(CCn3ccnc3)C2)C1 ZINC001277945384 1084429609 /nfs/dbraw/zinc/42/96/09/1084429609.db2.gz YSTGZBWXLBYWAL-SFHVURJKSA-N 1 3 315.465 2.365 20 30 DEEDHO N#CCCC[N@H+]1CCC[C@]2(CCCN(CCn3ccnc3)C2)C1 ZINC001277945384 1084429614 /nfs/dbraw/zinc/42/96/14/1084429614.db2.gz YSTGZBWXLBYWAL-SFHVURJKSA-N 1 3 315.465 2.365 20 30 DEEDHO C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H](CC)N(C)C)c(F)c1 ZINC001486525438 1085408282 /nfs/dbraw/zinc/40/82/82/1085408282.db2.gz KTJBRBFDWPZNLJ-MRXNPFEDSA-N 1 3 307.413 2.058 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001080554613 1089062280 /nfs/dbraw/zinc/06/22/80/1089062280.db2.gz XXKQFMGYYLPMBM-BRWVUGGUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001080554613 1089062297 /nfs/dbraw/zinc/06/22/97/1089062297.db2.gz XXKQFMGYYLPMBM-BRWVUGGUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]21 ZINC001085025387 1090599521 /nfs/dbraw/zinc/59/95/21/1090599521.db2.gz XWPONLITMAPBIX-IXDOHACOSA-N 1 3 307.482 2.072 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]21 ZINC001085025387 1090599527 /nfs/dbraw/zinc/59/95/27/1090599527.db2.gz XWPONLITMAPBIX-IXDOHACOSA-N 1 3 307.482 2.072 20 30 DEEDHO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001085197953 1090954522 /nfs/dbraw/zinc/95/45/22/1090954522.db2.gz ULKXVRCBOPZDBP-HZPDHXFCSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CCC[NH2+]C1(C)CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001274382052 1091216848 /nfs/dbraw/zinc/21/68/48/1091216848.db2.gz INTQOXOTTVZMOC-UHFFFAOYSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCC[NH+]1CCC2(CCC(=O)N(CCN(C)C)C2)CC1 ZINC001273487957 1091878640 /nfs/dbraw/zinc/87/86/40/1091878640.db2.gz XHIZXTMHCWIFRD-UHFFFAOYSA-N 1 3 307.482 2.219 20 30 DEEDHO C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001488689265 1092688322 /nfs/dbraw/zinc/68/83/22/1092688322.db2.gz KVZZWQBIVMJJDT-IRXDYDNUSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001488689265 1092688326 /nfs/dbraw/zinc/68/83/26/1092688326.db2.gz KVZZWQBIVMJJDT-IRXDYDNUSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001488993084 1092871131 /nfs/dbraw/zinc/87/11/31/1092871131.db2.gz VXVXOPSTKMTYJP-DOTOQJQBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001490595639 1093435772 /nfs/dbraw/zinc/43/57/72/1093435772.db2.gz PIDKWIWTYKRYNX-CVEARBPZSA-N 1 3 307.482 2.119 20 30 DEEDHO N#Cc1cc(-c2ccc3c(c2)COC32CNC2)cc(C2C[NH2+]C2)c1 ZINC001240361345 1139348829 /nfs/dbraw/zinc/34/88/29/1139348829.db2.gz XGMVQTRMICYHGM-UHFFFAOYSA-N 1 3 317.392 2.241 20 30 DEEDHO C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001318804426 1140424639 /nfs/dbraw/zinc/42/46/39/1140424639.db2.gz JCPQQQSYABYGHZ-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001329625882 1148945729 /nfs/dbraw/zinc/94/57/29/1148945729.db2.gz YEIGLSJZAIKCQA-OAHLLOKOSA-N 1 3 303.450 2.374 20 30 DEEDHO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001329625882 1148945741 /nfs/dbraw/zinc/94/57/41/1148945741.db2.gz YEIGLSJZAIKCQA-OAHLLOKOSA-N 1 3 303.450 2.374 20 30 DEEDHO C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)C(C)C ZINC001323668729 1141875422 /nfs/dbraw/zinc/87/54/22/1141875422.db2.gz BWXZFQNCSHSPGI-ALOPSCKCSA-N 1 3 307.482 2.404 20 30 DEEDHO C#C[C@@](C)(CC)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254050378 1143030573 /nfs/dbraw/zinc/03/05/73/1143030573.db2.gz KYOZYNFJYXUBHU-SFHVURJKSA-N 1 3 300.446 2.405 20 30 DEEDHO C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001340882340 1143479066 /nfs/dbraw/zinc/47/90/66/1143479066.db2.gz XTAYWBDDYOJBGR-NXHRZFHOSA-N 1 3 315.461 2.449 20 30 DEEDHO C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001341701324 1143673559 /nfs/dbraw/zinc/67/35/59/1143673559.db2.gz OIROUBYLPGJXJZ-ROUUACIJSA-N 1 3 315.461 2.451 20 30 DEEDHO C=CCO[C@@H]1CO[C@@]2(C1)CCCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001256627132 1143858302 /nfs/dbraw/zinc/85/83/02/1143858302.db2.gz ZSGYRZKXJBLRGB-JKHFOPOESA-N 1 3 320.477 2.438 20 30 DEEDHO C=CCO[C@@H]1CO[C@@]2(C1)CCCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001256627132 1143858303 /nfs/dbraw/zinc/85/83/03/1143858303.db2.gz ZSGYRZKXJBLRGB-JKHFOPOESA-N 1 3 320.477 2.438 20 30 DEEDHO N#Cc1ccc(C[NH2+]C2CCC(N3CCOCC3)CC2)cc1F ZINC001256686369 1143862521 /nfs/dbraw/zinc/86/25/21/1143862521.db2.gz ODFMYKCQEDUHSW-UHFFFAOYSA-N 1 3 317.408 2.430 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001258729461 1144036254 /nfs/dbraw/zinc/03/62/54/1144036254.db2.gz VIAXDWBFXRWYEF-MRXNPFEDSA-N 1 3 317.477 2.165 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001258729461 1144036256 /nfs/dbraw/zinc/03/62/56/1144036256.db2.gz VIAXDWBFXRWYEF-MRXNPFEDSA-N 1 3 317.477 2.165 20 30 DEEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001263170021 1144359521 /nfs/dbraw/zinc/35/95/21/1144359521.db2.gz FPMLOXZPCWWMLV-QZTJIDSGSA-N 1 3 315.461 2.308 20 30 DEEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001263170021 1144359523 /nfs/dbraw/zinc/35/95/23/1144359523.db2.gz FPMLOXZPCWWMLV-QZTJIDSGSA-N 1 3 315.461 2.308 20 30 DEEDHO C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001264184683 1144500118 /nfs/dbraw/zinc/50/01/18/1144500118.db2.gz YCAZSCQWBVLMKQ-ULQDDVLXSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001264184683 1144500126 /nfs/dbraw/zinc/50/01/26/1144500126.db2.gz YCAZSCQWBVLMKQ-ULQDDVLXSA-N 1 3 307.482 2.216 20 30 DEEDHO C=C(C)CC[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001265366157 1144698796 /nfs/dbraw/zinc/69/87/96/1144698796.db2.gz JESRYGOBKLODSY-MRXNPFEDSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001279396286 1144821705 /nfs/dbraw/zinc/82/17/05/1144821705.db2.gz RZXQPOSTUHCFCW-XWTMOSNGSA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001279396286 1144821706 /nfs/dbraw/zinc/82/17/06/1144821706.db2.gz RZXQPOSTUHCFCW-XWTMOSNGSA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001280374199 1144837265 /nfs/dbraw/zinc/83/72/65/1144837265.db2.gz OHRCKBKMIFEPRO-BRWVUGGUSA-N 1 3 307.482 2.169 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCCN1CC ZINC001281969959 1144925508 /nfs/dbraw/zinc/92/55/08/1144925508.db2.gz XTLJMCKHYWWGRS-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCCN1CC ZINC001281969959 1144925512 /nfs/dbraw/zinc/92/55/12/1144925512.db2.gz XTLJMCKHYWWGRS-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO CC#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001491947871 1147013781 /nfs/dbraw/zinc/01/37/81/1147013781.db2.gz YMFLMAQZWPKEAC-IAGOWNOFSA-N 1 3 307.482 2.053 20 30 DEEDHO C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001491950468 1147015596 /nfs/dbraw/zinc/01/55/96/1147015596.db2.gz AOHLYSYOOPMDRZ-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001491950468 1147015600 /nfs/dbraw/zinc/01/56/00/1147015600.db2.gz AOHLYSYOOPMDRZ-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001316997426 1147646546 /nfs/dbraw/zinc/64/65/46/1147646546.db2.gz FIJJTTOFWMGGOU-HNNXBMFYSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CCN[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001317721014 1147746974 /nfs/dbraw/zinc/74/69/74/1147746974.db2.gz QTGDFYUUHUWOQC-QZTJIDSGSA-N 1 3 315.461 2.494 20 30 DEEDHO C=CCN[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001317721014 1147746975 /nfs/dbraw/zinc/74/69/75/1147746975.db2.gz QTGDFYUUHUWOQC-QZTJIDSGSA-N 1 3 315.461 2.494 20 30 DEEDHO C#CCN1CCC(C(=O)Nc2ccc(C)cc2C[NH+](C)C)CC1 ZINC000072841190 354924471 /nfs/dbraw/zinc/92/44/71/354924471.db2.gz CYVPVTFIRDJFGV-UHFFFAOYSA-N 1 3 313.445 2.340 20 30 DEEDHO N#Cc1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000180998770 199238530 /nfs/dbraw/zinc/23/85/30/199238530.db2.gz QNMHNCWHJBCZPQ-HXUWFJFHSA-N 1 3 321.424 2.415 20 30 DEEDHO N#Cc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000180998770 199238532 /nfs/dbraw/zinc/23/85/32/199238532.db2.gz QNMHNCWHJBCZPQ-HXUWFJFHSA-N 1 3 321.424 2.415 20 30 DEEDHO C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)CN(C)C ZINC000291663578 404469615 /nfs/dbraw/zinc/46/96/15/404469615.db2.gz FKICVKOUMIUNQQ-HNNXBMFYSA-N 1 3 300.450 2.314 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000601317371 360005182 /nfs/dbraw/zinc/00/51/82/360005182.db2.gz BHSOSMDWCKDVHD-QGZVFWFLSA-N 1 3 322.497 2.199 20 30 DEEDHO COCCC[NH+]1CCC(N[C@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602526185 360417537 /nfs/dbraw/zinc/41/75/37/360417537.db2.gz DCAQYQKNEVGODW-MRXNPFEDSA-N 1 3 323.481 2.176 20 30 DEEDHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271908097 209315037 /nfs/dbraw/zinc/31/50/37/209315037.db2.gz CRZDPTPCNWJTQY-HNNXBMFYSA-N 1 3 318.440 2.376 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000085403139 401915699 /nfs/dbraw/zinc/91/56/99/401915699.db2.gz SWOCHVZHAQPPGB-RDJZCZTQSA-N 1 3 322.497 2.009 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000085403139 401915700 /nfs/dbraw/zinc/91/57/00/401915700.db2.gz SWOCHVZHAQPPGB-RDJZCZTQSA-N 1 3 322.497 2.009 20 30 DEEDHO CC[N@@H+]1CC[C@H](CNCc2ccc(N(C)CCC#N)cc2)C1 ZINC000097465627 402125606 /nfs/dbraw/zinc/12/56/06/402125606.db2.gz IXFWIFKKFVLSSK-QGZVFWFLSA-N 1 3 300.450 2.468 20 30 DEEDHO CC[N@H+]1CC[C@H](CNCc2ccc(N(C)CCC#N)cc2)C1 ZINC000097465627 402125608 /nfs/dbraw/zinc/12/56/08/402125608.db2.gz IXFWIFKKFVLSSK-QGZVFWFLSA-N 1 3 300.450 2.468 20 30 DEEDHO CCN1CC[C@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000097465627 402125610 /nfs/dbraw/zinc/12/56/10/402125610.db2.gz IXFWIFKKFVLSSK-QGZVFWFLSA-N 1 3 300.450 2.468 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OC(C)C ZINC000170910893 402540832 /nfs/dbraw/zinc/54/08/32/402540832.db2.gz WXWSMFWAOSKYBT-MRXNPFEDSA-N 1 3 318.465 2.362 20 30 DEEDHO C=CCN1CCC(NC(=O)NC2CC[NH+](CCCC)CC2)CC1 ZINC000171730188 402615644 /nfs/dbraw/zinc/61/56/44/402615644.db2.gz PFTNDMLUHISKSJ-UHFFFAOYSA-N 1 3 322.497 2.201 20 30 DEEDHO CC(C)N1CCC([NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000173617131 402704765 /nfs/dbraw/zinc/70/47/65/402704765.db2.gz MMTPSENCFJAOAK-HNNXBMFYSA-N 1 3 320.481 2.180 20 30 DEEDHO CCc1cccc(NC(=[NH2+])NCCCN2CCCO[C@H](C)C2)c1 ZINC000277179007 403197965 /nfs/dbraw/zinc/19/79/65/403197965.db2.gz CKWAUMYLISZYIX-OAHLLOKOSA-N 1 3 318.465 2.477 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])C(C)C ZINC000294027498 403628274 /nfs/dbraw/zinc/62/82/74/403628274.db2.gz HFABJPJUYCSELK-GVDBMIGSSA-N 1 3 307.482 2.319 20 30 DEEDHO C=CC[C@H]1[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)CCCC1(C)C ZINC000414760260 404726744 /nfs/dbraw/zinc/72/67/44/404726744.db2.gz QDGAUTAKXWCVIY-JKSUJKDBSA-N 1 3 307.482 2.250 20 30 DEEDHO C=CC[C@H]1[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)CCCC1(C)C ZINC000414760260 404726745 /nfs/dbraw/zinc/72/67/45/404726745.db2.gz QDGAUTAKXWCVIY-JKSUJKDBSA-N 1 3 307.482 2.250 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)C(C)C ZINC000417072801 405027169 /nfs/dbraw/zinc/02/71/69/405027169.db2.gz XHLUIINPPKBLNH-IXDOHACOSA-N 1 3 322.497 2.064 20 30 DEEDHO N#CCCC[C@H](N)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000424178847 405031336 /nfs/dbraw/zinc/03/13/36/405031336.db2.gz XOJYNBTUAHZVMG-KRWDZBQOSA-N 1 3 320.481 2.122 20 30 DEEDHO N#Cc1ccc(CC(C#N)C(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000280977626 225512865 /nfs/dbraw/zinc/51/28/65/225512865.db2.gz ZSJFTQYIZQLNLI-GOSISDBHSA-N 1 3 324.428 2.233 20 30 DEEDHO N#CCCCC[C@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001355067123 1151977525 /nfs/dbraw/zinc/97/75/25/1151977525.db2.gz QJYHJIGNSRANSG-WBVHZDCISA-N 1 3 320.481 2.026 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCCC[N@@H+](C)CC(C)C)CC1 ZINC000650852113 425066518 /nfs/dbraw/zinc/06/65/18/425066518.db2.gz QUULZEKVUDOAGP-UHFFFAOYSA-N 1 3 324.513 2.304 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCCC[N@H+](C)CC(C)C)CC1 ZINC000650852113 425066521 /nfs/dbraw/zinc/06/65/21/425066521.db2.gz QUULZEKVUDOAGP-UHFFFAOYSA-N 1 3 324.513 2.304 20 30 DEEDHO C=CCN1CCC(NC(=O)NC(C)(C)C[N@@H+](C)CCC)CC1 ZINC000664019995 425290034 /nfs/dbraw/zinc/29/00/34/425290034.db2.gz PPGLHNBEFCEXSZ-UHFFFAOYSA-N 1 3 310.486 2.056 20 30 DEEDHO C=CCN1CCC(NC(=O)NC(C)(C)C[N@H+](C)CCC)CC1 ZINC000664019995 425290038 /nfs/dbraw/zinc/29/00/38/425290038.db2.gz PPGLHNBEFCEXSZ-UHFFFAOYSA-N 1 3 310.486 2.056 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)C(C)C ZINC000655444351 425567141 /nfs/dbraw/zinc/56/71/41/425567141.db2.gz COUIIBQSWVNYDQ-YQVWRLOYSA-N 1 3 319.493 2.191 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)NC1(C)CC[NH2+]CC1)C(C)C ZINC000417072864 277851226 /nfs/dbraw/zinc/85/12/26/277851226.db2.gz XOODZKWYYVHTPU-MRXNPFEDSA-N 1 3 322.497 2.126 20 30 DEEDHO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@H]1CCCN1 ZINC000576861308 326324757 /nfs/dbraw/zinc/32/47/57/326324757.db2.gz VBUIEFZDFHHHGG-YJNKEBTESA-N 1 3 314.433 2.373 20 30 DEEDHO C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001329938235 1149020111 /nfs/dbraw/zinc/02/01/11/1149020111.db2.gz PNIYMEDBRZPDHD-QGZVFWFLSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001329938235 1149020118 /nfs/dbraw/zinc/02/01/18/1149020118.db2.gz PNIYMEDBRZPDHD-QGZVFWFLSA-N 1 3 319.493 2.245 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Cc1cccs1 ZINC000267436130 529073832 /nfs/dbraw/zinc/07/38/32/529073832.db2.gz NUWWQIIYHHYSKD-ZIAGYGMSSA-N 1 3 308.495 2.315 20 30 DEEDHO C#CCN1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001023696938 625393391 /nfs/dbraw/zinc/39/33/91/625393391.db2.gz YZJDZMUUZUVCHC-MSOLQXFVSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCN1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023696938 625393394 /nfs/dbraw/zinc/39/33/94/625393394.db2.gz YZJDZMUUZUVCHC-MSOLQXFVSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001023763728 625428191 /nfs/dbraw/zinc/42/81/91/625428191.db2.gz ZPHONCYLXIFPSW-MRXNPFEDSA-N 1 3 315.461 2.376 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001023763728 625428195 /nfs/dbraw/zinc/42/81/95/625428195.db2.gz ZPHONCYLXIFPSW-MRXNPFEDSA-N 1 3 315.461 2.376 20 30 DEEDHO C=CC[NH2+]C1CCC(NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001026571597 625530957 /nfs/dbraw/zinc/53/09/57/625530957.db2.gz CPUZJUNYDDWYMY-KLAILNCOSA-N 1 3 307.482 2.454 20 30 DEEDHO C#CCCN1CCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024739034 632959585 /nfs/dbraw/zinc/95/95/85/632959585.db2.gz WULNSXOTXXXTRU-GOSISDBHSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000997786551 633975453 /nfs/dbraw/zinc/97/54/53/633975453.db2.gz LOHZFNHCJYGFQB-WMZOPIPTSA-N 1 3 319.493 2.099 20 30 DEEDHO C#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000997786551 633975456 /nfs/dbraw/zinc/97/54/56/633975456.db2.gz LOHZFNHCJYGFQB-WMZOPIPTSA-N 1 3 319.493 2.099 20 30 DEEDHO C#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000997786551 633975460 /nfs/dbraw/zinc/97/54/60/633975460.db2.gz LOHZFNHCJYGFQB-WMZOPIPTSA-N 1 3 319.493 2.099 20 30 DEEDHO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000981816308 635667722 /nfs/dbraw/zinc/66/77/22/635667722.db2.gz WHXISEVJVKDDPA-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000981816308 635667727 /nfs/dbraw/zinc/66/77/27/635667727.db2.gz WHXISEVJVKDDPA-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000982116072 635874833 /nfs/dbraw/zinc/87/48/33/635874833.db2.gz FHRGCOPTJDLWSJ-SJORKVTESA-N 1 3 319.493 2.217 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCN1CCCC ZINC001028251700 635960406 /nfs/dbraw/zinc/96/04/06/635960406.db2.gz JWIPVOAXDCOXAT-MSOLQXFVSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCN1CCCC ZINC001028251700 635960407 /nfs/dbraw/zinc/96/04/07/635960407.db2.gz JWIPVOAXDCOXAT-MSOLQXFVSA-N 1 3 319.493 2.245 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001028579549 636371774 /nfs/dbraw/zinc/37/17/74/636371774.db2.gz GVXBKDKFHHTEJT-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001028579549 636371778 /nfs/dbraw/zinc/37/17/78/636371778.db2.gz GVXBKDKFHHTEJT-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001004472312 636464337 /nfs/dbraw/zinc/46/43/37/636464337.db2.gz GGMQXBLNJLEUIO-SJORKVTESA-N 1 3 307.482 2.216 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001004472312 636464343 /nfs/dbraw/zinc/46/43/43/636464343.db2.gz GGMQXBLNJLEUIO-SJORKVTESA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946642715 636517363 /nfs/dbraw/zinc/51/73/63/636517363.db2.gz QHVPYDHHTGMQQB-IXDOHACOSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946642715 636517366 /nfs/dbraw/zinc/51/73/66/636517366.db2.gz QHVPYDHHTGMQQB-IXDOHACOSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001006117231 637214840 /nfs/dbraw/zinc/21/48/40/637214840.db2.gz UYIISXHYUZHAHM-IRXDYDNUSA-N 1 3 305.466 2.112 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001006117231 637214842 /nfs/dbraw/zinc/21/48/42/637214842.db2.gz UYIISXHYUZHAHM-IRXDYDNUSA-N 1 3 305.466 2.112 20 30 DEEDHO C[C@@H](CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)N(C)C ZINC000895291722 637891465 /nfs/dbraw/zinc/89/14/65/637891465.db2.gz BYRNYBHSJHWLKF-HNNXBMFYSA-N 1 3 300.450 2.457 20 30 DEEDHO C=CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC000987553394 640219244 /nfs/dbraw/zinc/21/92/44/640219244.db2.gz UORVBRRPQMITOX-WMLDXEAASA-N 1 3 301.434 2.127 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000900655409 642435349 /nfs/dbraw/zinc/43/53/49/642435349.db2.gz IZNHYXCSXHDDDT-INIZCTEOSA-N 1 3 303.450 2.131 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000901233435 642601649 /nfs/dbraw/zinc/60/16/49/642601649.db2.gz LYKUPKIBLFSJAT-DLBZAZTESA-N 1 3 301.434 2.056 20 30 DEEDHO CCC[NH+]1CCN(c2ccccc2C=NN(C)CCOC)CC1 ZINC000794962969 644500280 /nfs/dbraw/zinc/50/02/80/644500280.db2.gz DZPXUTMVAMFLCD-UHFFFAOYSA-N 1 3 318.465 2.131 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H](N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC000948775714 646627149 /nfs/dbraw/zinc/62/71/49/646627149.db2.gz PCUPNPNQGDTURM-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC000948775714 646627151 /nfs/dbraw/zinc/62/71/51/646627151.db2.gz PCUPNPNQGDTURM-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO CC(C)(C)N1CCC([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000818968506 647552566 /nfs/dbraw/zinc/55/25/66/647552566.db2.gz CKFNFHSVSZHTNS-KRWDZBQOSA-N 1 3 301.434 2.444 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](C)C1 ZINC000942558226 649244687 /nfs/dbraw/zinc/24/46/87/649244687.db2.gz TZXUZRRAMKOIJJ-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](C)C1 ZINC000942558226 649244688 /nfs/dbraw/zinc/24/46/88/649244688.db2.gz TZXUZRRAMKOIJJ-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)c1cccc(C)c1 ZINC000304781496 685260602 /nfs/dbraw/zinc/26/06/02/685260602.db2.gz GITKTWUBPKABPB-NVXWUHKLSA-N 1 3 302.466 2.487 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)c1cccc(C)c1 ZINC000304781499 685260948 /nfs/dbraw/zinc/26/09/48/685260948.db2.gz GITKTWUBPKABPB-WBVHZDCISA-N 1 3 302.466 2.487 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccc(C)cc1 ZINC000304764027 685261062 /nfs/dbraw/zinc/26/10/62/685261062.db2.gz XLARDARTSLFJBY-HZPDHXFCSA-N 1 3 318.465 2.151 20 30 DEEDHO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000156278991 684287662 /nfs/dbraw/zinc/28/76/62/684287662.db2.gz WMZUVNAAPJNIOX-KRWDZBQOSA-N 1 3 307.482 2.406 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCC1Cc2ccccc2C1 ZINC000158317868 684297093 /nfs/dbraw/zinc/29/70/93/684297093.db2.gz TTZIPIJUSVJQFE-SFHVURJKSA-N 1 3 314.477 2.180 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccccc1Cl ZINC000303792886 685235372 /nfs/dbraw/zinc/23/53/72/685235372.db2.gz YUPRZVNYXPAQSM-CQSZACIVSA-N 1 3 308.857 2.271 20 30 DEEDHO C=CCC[NH+]1CCC2(C[C@H]2NC(=O)CN2CCC[C@H]2C)CC1 ZINC001016828055 687712223 /nfs/dbraw/zinc/71/22/23/687712223.db2.gz CEQUQWMCRYYUDY-HZPDHXFCSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001016860961 687721087 /nfs/dbraw/zinc/72/10/87/687721087.db2.gz LHKDQHMREYLXFX-SJORKVTESA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)CC[NH+]1CC(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001032207368 689082869 /nfs/dbraw/zinc/08/28/69/689082869.db2.gz OGEWKSARVRSGKK-UHFFFAOYSA-N 1 3 315.461 2.376 20 30 DEEDHO C=CCN1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001034367186 689825202 /nfs/dbraw/zinc/82/52/02/689825202.db2.gz FJBBVANKOFMBOI-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCN1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001034367186 689825205 /nfs/dbraw/zinc/82/52/05/689825205.db2.gz FJBBVANKOFMBOI-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000876722508 689915104 /nfs/dbraw/zinc/91/51/04/689915104.db2.gz WXZJFNXPDRJEKR-LSDHHAIUSA-N 1 3 315.889 2.329 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000876913986 689971469 /nfs/dbraw/zinc/97/14/69/689971469.db2.gz AOQUXEYVLAVUPV-SNVBAGLBSA-N 1 3 314.842 2.019 20 30 DEEDHO C=CCC[N@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001035227050 690066398 /nfs/dbraw/zinc/06/63/98/690066398.db2.gz NGNLWOFEJVHZED-KRWDZBQOSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001035227050 690066400 /nfs/dbraw/zinc/06/64/00/690066400.db2.gz NGNLWOFEJVHZED-KRWDZBQOSA-N 1 3 319.493 2.219 20 30 DEEDHO CC1([NH+]2CCCCC2)CCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000877298854 690070173 /nfs/dbraw/zinc/07/01/73/690070173.db2.gz CXEOQOVSACNHJF-INIZCTEOSA-N 1 3 320.481 2.265 20 30 DEEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035708613 690157417 /nfs/dbraw/zinc/15/74/17/690157417.db2.gz XUWRXPCVPGEPJL-KRWDZBQOSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035708613 690157419 /nfs/dbraw/zinc/15/74/19/690157419.db2.gz XUWRXPCVPGEPJL-KRWDZBQOSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001035726510 690162488 /nfs/dbraw/zinc/16/24/88/690162488.db2.gz BHBLUESXCMJCDN-KRWDZBQOSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035798241 690179073 /nfs/dbraw/zinc/17/90/73/690179073.db2.gz LKHPFPQOFCIKTM-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001041644104 691404888 /nfs/dbraw/zinc/40/48/88/691404888.db2.gz AZMTZZNESNNCAS-AEFFLSMTSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001041644104 691404890 /nfs/dbraw/zinc/40/48/90/691404890.db2.gz AZMTZZNESNNCAS-AEFFLSMTSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)C1CCC1)C2 ZINC001045943343 692059417 /nfs/dbraw/zinc/05/94/17/692059417.db2.gz IICYRHAQIWMJRI-LJQANCHMSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)C1CCC1)C2 ZINC001045943343 692059418 /nfs/dbraw/zinc/05/94/18/692059418.db2.gz IICYRHAQIWMJRI-LJQANCHMSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCN1CC[C@@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046626879 692242648 /nfs/dbraw/zinc/24/26/48/692242648.db2.gz WBLLSBCETFHWHN-LJQANCHMSA-N 1 3 315.461 2.171 20 30 DEEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001049568765 692924348 /nfs/dbraw/zinc/92/43/48/692924348.db2.gz WERSTRCQAFESDE-RCCFBDPRSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001049568765 692924351 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C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001441350577 1181952969 /nfs/dbraw/zinc/95/29/69/1181952969.db2.gz HNBLIOSEFHJZBE-RBSFLKMASA-N 1 3 313.873 2.098 20 30 DEEDHO C=CCCC[C@@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001122210692 782477951 /nfs/dbraw/zinc/47/79/51/782477951.db2.gz OXPAWYPIVFVLFO-DOTOQJQBSA-N 1 3 307.482 2.298 20 30 DEEDHO C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001073035817 790409358 /nfs/dbraw/zinc/40/93/58/790409358.db2.gz VFAAEOPXSYMSBU-QGZVFWFLSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001073035817 790409363 /nfs/dbraw/zinc/40/93/63/790409363.db2.gz VFAAEOPXSYMSBU-QGZVFWFLSA-N 1 3 319.493 2.360 20 30 DEEDHO CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001167385934 776979979 /nfs/dbraw/zinc/97/99/79/776979979.db2.gz ZILUBBOYODMLRV-KRWDZBQOSA-N 1 3 319.493 2.149 20 30 DEEDHO C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001112529855 778608341 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DEEDHO C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC000968855781 784620537 /nfs/dbraw/zinc/62/05/37/784620537.db2.gz AHHZILIVDMBILG-ROUUACIJSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC000968855781 784620541 /nfs/dbraw/zinc/62/05/41/784620541.db2.gz AHHZILIVDMBILG-ROUUACIJSA-N 1 3 319.493 2.243 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001008064459 785095130 /nfs/dbraw/zinc/09/51/30/785095130.db2.gz VQTIFEHAUCKIBP-MSOLQXFVSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001008064459 785095140 /nfs/dbraw/zinc/09/51/40/785095140.db2.gz VQTIFEHAUCKIBP-MSOLQXFVSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001108704330 785495378 /nfs/dbraw/zinc/49/53/78/785495378.db2.gz IJDAPJZWGQTJQS-ZOBUZTSGSA-N 1 3 305.466 2.016 20 30 DEEDHO C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)N(C)C ZINC001171247581 791122243 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/nfs/dbraw/zinc/77/40/10/793774010.db2.gz MQGWMYVFGASMIX-UHFFFAOYSA-N 1 3 307.438 2.205 20 30 DEEDHO C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C1CCC1)C2 ZINC001112401544 794624045 /nfs/dbraw/zinc/62/40/45/794624045.db2.gz KSRQTXUYVQSRCI-LPHOPBHVSA-N 1 3 319.493 2.265 20 30 DEEDHO C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C1(N(C)C)CCC1 ZINC001177339530 794642969 /nfs/dbraw/zinc/64/29/69/794642969.db2.gz JODATPZEMFHDMU-UHFFFAOYSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCN1CCC(NC(=O)[C@@H](C[NH3+])C2CCCCCC2)CC1 ZINC001121920994 795704050 /nfs/dbraw/zinc/70/40/50/795704050.db2.gz NCJPNUHKQCGJLX-KRWDZBQOSA-N 1 3 307.482 2.298 20 30 DEEDHO C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183229583 795828822 /nfs/dbraw/zinc/82/88/22/795828822.db2.gz NLMSZCNGQVODFU-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203576544 795925616 /nfs/dbraw/zinc/92/56/16/795925616.db2.gz FXIQACKLGOWPDD-KBPBESRZSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203576544 795925621 /nfs/dbraw/zinc/92/56/21/795925621.db2.gz FXIQACKLGOWPDD-KBPBESRZSA-N 1 3 313.873 2.098 20 30 DEEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001155622378 797807924 /nfs/dbraw/zinc/80/79/24/797807924.db2.gz VDDBTNMBGVQRBC-IAGOWNOFSA-N 1 3 307.482 2.099 20 30 DEEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001155622378 797807930 /nfs/dbraw/zinc/80/79/30/797807930.db2.gz VDDBTNMBGVQRBC-IAGOWNOFSA-N 1 3 307.482 2.099 20 30 DEEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CN(C)CCCCCC ZINC001155878149 797872905 /nfs/dbraw/zinc/87/29/05/797872905.db2.gz VVZCWEKOLIHVKJ-QGZVFWFLSA-N 1 3 309.498 2.348 20 30 DEEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)CN(C)CCCCCC ZINC001155878149 797872912 /nfs/dbraw/zinc/87/29/12/797872912.db2.gz VVZCWEKOLIHVKJ-QGZVFWFLSA-N 1 3 309.498 2.348 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001158473385 798412503 /nfs/dbraw/zinc/41/25/03/798412503.db2.gz KRWDJRFNAQLSRL-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001158473385 798412510 /nfs/dbraw/zinc/41/25/10/798412510.db2.gz KRWDJRFNAQLSRL-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C#CCN1CC=C(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001161397986 798846642 /nfs/dbraw/zinc/84/66/42/798846642.db2.gz LVKUHBHJHYPJJE-QGZVFWFLSA-N 1 3 317.477 2.023 20 30 DEEDHO C#CCN1CC=C(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001161893302 798961421 /nfs/dbraw/zinc/96/14/21/798961421.db2.gz BNNWNIGPOBTGEP-UHFFFAOYSA-N 1 3 317.477 2.024 20 30 DEEDHO C=CC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203420788 800044230 /nfs/dbraw/zinc/04/42/30/800044230.db2.gz XDVYDXQMZXQFEM-CABCVRRESA-N 1 3 307.482 2.167 20 30 DEEDHO C=CCCC[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209660626 801249251 /nfs/dbraw/zinc/24/92/51/801249251.db2.gz QZZJISKUYCVKSJ-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCCCC[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218533569 802201390 /nfs/dbraw/zinc/20/13/90/802201390.db2.gz POMSADKUPSRFAS-RYUDHWBXSA-N 1 3 322.478 2.361 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](F)CN(CC)CC ZINC001234644361 802439930 /nfs/dbraw/zinc/43/99/30/802439930.db2.gz TXYDXQDAODNQQZ-CVEARBPZSA-N 1 3 313.461 2.165 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](F)CN(CC)CC ZINC001234644361 802439935 /nfs/dbraw/zinc/43/99/35/802439935.db2.gz TXYDXQDAODNQQZ-CVEARBPZSA-N 1 3 313.461 2.165 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)N(CC)CC)[C@@H]2C1 ZINC001221811631 802617808 /nfs/dbraw/zinc/61/78/08/802617808.db2.gz CUZXOGZSRKKNIY-BRWVUGGUSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)N(CC)CC)[C@@H]2C1 ZINC001221811631 802617811 /nfs/dbraw/zinc/61/78/11/802617811.db2.gz CUZXOGZSRKKNIY-BRWVUGGUSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489861 802795244 /nfs/dbraw/zinc/79/52/44/802795244.db2.gz ZOECYDANCNAOGE-ZACQAIPSSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCCC[NH+]1CCC(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001223533802 802797838 /nfs/dbraw/zinc/79/78/38/802797838.db2.gz PYXNEJUCMVKIDE-KRWDZBQOSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCC[C@H](C)[NH+]1CCC(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001225278626 802950172 /nfs/dbraw/zinc/95/01/72/802950172.db2.gz VQNZLJNPNIOHJR-AWEZNQCLSA-N 1 3 318.465 2.444 20 30 DEEDHO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCCN1C(C)C ZINC001228932256 803432525 /nfs/dbraw/zinc/43/25/25/803432525.db2.gz LCKOAAODQQMQTE-KZNAEPCWSA-N 1 3 319.493 2.290 20 30 DEEDHO C=C(C)CC[NH2+]C1(C)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001327995081 1148694923 /nfs/dbraw/zinc/69/49/23/1148694923.db2.gz GKAODZIZGBYWSX-UHFFFAOYSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[NH2+][C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC001480049354 1062241880 /nfs/dbraw/zinc/24/18/80/1062241880.db2.gz BQCAZPPOKGHBNC-RDJZCZTQSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001480361259 1062712286 /nfs/dbraw/zinc/71/22/86/1062712286.db2.gz JWPGDFBUKOSCGV-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CC[NH2+]CCN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001493803449 1063968891 /nfs/dbraw/zinc/96/88/91/1063968891.db2.gz OELSRAAOZOSUDN-UHFFFAOYSA-N 1 3 303.450 2.376 20 30 DEEDHO C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001494159711 1064148446 /nfs/dbraw/zinc/14/84/46/1064148446.db2.gz MICQMKMZLHJHHX-DLBZAZTESA-N 1 3 307.482 2.075 20 30 DEEDHO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001494159711 1064148451 /nfs/dbraw/zinc/14/84/51/1064148451.db2.gz MICQMKMZLHJHHX-DLBZAZTESA-N 1 3 307.482 2.075 20 30 DEEDHO C=CCC[N@@H+](C)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001494197714 1064169512 /nfs/dbraw/zinc/16/95/12/1064169512.db2.gz IEHHZZZJMZRFMM-KRWDZBQOSA-N 1 3 309.498 2.319 20 30 DEEDHO C=CCC[N@H+](C)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001494197714 1064169515 /nfs/dbraw/zinc/16/95/15/1064169515.db2.gz IEHHZZZJMZRFMM-KRWDZBQOSA-N 1 3 309.498 2.319 20 30 DEEDHO CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001568412278 1064849346 /nfs/dbraw/zinc/84/93/46/1064849346.db2.gz QFKXBEPGMVCPCZ-IAGOWNOFSA-N 1 3 321.509 2.204 20 30 DEEDHO C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001495600374 1064996712 /nfs/dbraw/zinc/99/67/12/1064996712.db2.gz YEKLEVWDWZVYMF-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001495600374 1064996722 /nfs/dbraw/zinc/99/67/22/1064996722.db2.gz YEKLEVWDWZVYMF-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001569386059 1065482011 /nfs/dbraw/zinc/48/20/11/1065482011.db2.gz IYGASXUBDZCEMX-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001569436386 1065508032 /nfs/dbraw/zinc/50/80/32/1065508032.db2.gz HPXHBNAZPWQMGU-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001569436386 1065508041 /nfs/dbraw/zinc/50/80/41/1065508041.db2.gz HPXHBNAZPWQMGU-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCN(C(=O)CN(C)CC(C)(C)C)C1CC[NH+](C(C)C)CC1 ZINC001569592979 1065612297 /nfs/dbraw/zinc/61/22/97/1065612297.db2.gz JBBHOPSBQFINKE-UHFFFAOYSA-N 1 3 321.509 2.299 20 30 DEEDHO C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1CCCC1 ZINC001569609435 1065620202 /nfs/dbraw/zinc/62/02/02/1065620202.db2.gz FVVNGACTNZGZII-DLBZAZTESA-N 1 3 309.498 2.413 20 30 DEEDHO C#CCN1CCC[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001569715322 1065687619 /nfs/dbraw/zinc/68/76/19/1065687619.db2.gz MOONNQRNJRNFCJ-LJQANCHMSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCN[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001569802692 1065725684 /nfs/dbraw/zinc/72/56/84/1065725684.db2.gz YWSCEQMESOGBIP-FUHWJXTLSA-N 1 3 315.461 2.134 20 30 DEEDHO C=CCN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001569802692 1065725692 /nfs/dbraw/zinc/72/56/92/1065725692.db2.gz YWSCEQMESOGBIP-FUHWJXTLSA-N 1 3 315.461 2.134 20 30 DEEDHO CC(C)(CN)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC001575315582 1066261764 /nfs/dbraw/zinc/26/17/64/1066261764.db2.gz SERQKNTVGYQRFM-UHFFFAOYSA-N 1 3 314.433 2.194 20 30 DEEDHO C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001267174064 1078638150 /nfs/dbraw/zinc/63/81/50/1078638150.db2.gz VRUVRFJUNRTDPF-DOTOQJQBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCCN1CC ZINC001571373884 1068257725 /nfs/dbraw/zinc/25/77/25/1068257725.db2.gz QJUDRJZCKFLTOG-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN(CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1CC1 ZINC001267334009 1078772962 /nfs/dbraw/zinc/77/29/62/1078772962.db2.gz UVRGZZQPUDNJJC-DLBZAZTESA-N 1 3 305.466 2.160 20 30 DEEDHO C=C(C)CN(CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1CC1 ZINC001267334009 1078772966 /nfs/dbraw/zinc/77/29/66/1078772966.db2.gz UVRGZZQPUDNJJC-DLBZAZTESA-N 1 3 305.466 2.160 20 30 DEEDHO CCC#C[C@H](C)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC001559480905 1075126541 /nfs/dbraw/zinc/12/65/41/1075126541.db2.gz VLXKMUYUSIADNB-KRWDZBQOSA-N 1 3 321.509 2.348 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001566966330 1075402935 /nfs/dbraw/zinc/40/29/35/1075402935.db2.gz UFNQJXCYUDWBIB-CVEARBPZSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001566966330 1075402936 /nfs/dbraw/zinc/40/29/36/1075402936.db2.gz UFNQJXCYUDWBIB-CVEARBPZSA-N 1 3 309.498 2.367 20 30 DEEDHO C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001567163818 1075449301 /nfs/dbraw/zinc/44/93/01/1075449301.db2.gz HWXJKHKEPZKZEM-SJORKVTESA-N 1 3 319.493 2.291 20 30 DEEDHO C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001267898950 1079585374 /nfs/dbraw/zinc/58/53/74/1079585374.db2.gz YEQQXQXYCFXUAF-ZWKOTPCHSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CC[N@@H+](CC)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001485032252 1079923929 /nfs/dbraw/zinc/92/39/29/1079923929.db2.gz QCIXYNNXKOYWKK-QGZVFWFLSA-N 1 3 309.498 2.319 20 30 DEEDHO C=CC[N@H+](CC)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001485032252 1079923936 /nfs/dbraw/zinc/92/39/36/1079923936.db2.gz QCIXYNNXKOYWKK-QGZVFWFLSA-N 1 3 309.498 2.319 20 30 DEEDHO C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001485230262 1080078748 /nfs/dbraw/zinc/07/87/48/1080078748.db2.gz RPLBJUCQQZGKHU-CABCVRRESA-N 1 3 303.450 2.421 20 30 DEEDHO C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001268173975 1080164382 /nfs/dbraw/zinc/16/43/82/1080164382.db2.gz GOOVSDKAPGCNCF-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001268269284 1080249399 /nfs/dbraw/zinc/24/93/99/1080249399.db2.gz LUYUBYRKDKHONN-IAGOWNOFSA-N 1 3 307.482 2.216 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001268269284 1080249407 /nfs/dbraw/zinc/24/94/07/1080249407.db2.gz LUYUBYRKDKHONN-IAGOWNOFSA-N 1 3 307.482 2.216 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001661724440 1080513070 /nfs/dbraw/zinc/51/30/70/1080513070.db2.gz VNCVORBCIUHUMR-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001661724440 1080513079 /nfs/dbraw/zinc/51/30/79/1080513079.db2.gz VNCVORBCIUHUMR-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]CCCC2CCC2)CC1 ZINC001662424266 1080608268 /nfs/dbraw/zinc/60/82/68/1080608268.db2.gz KDUSFTJUDQCVBI-INIZCTEOSA-N 1 3 319.493 2.006 20 30 DEEDHO CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001482010892 1080685564 /nfs/dbraw/zinc/68/55/64/1080685564.db2.gz WQUNWQDUGRDOIX-SFHVURJKSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001663548652 1080772955 /nfs/dbraw/zinc/77/29/55/1080772955.db2.gz UYESRBSPXGVNSO-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001663548652 1080772961 /nfs/dbraw/zinc/77/29/61/1080772961.db2.gz UYESRBSPXGVNSO-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[C@@H](C)[NH+]1CC(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001665317861 1081012804 /nfs/dbraw/zinc/01/28/04/1081012804.db2.gz ZAWDTBIUEVRWSP-OAHLLOKOSA-N 1 3 307.482 2.264 20 30 DEEDHO CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C(C)C)N(C)C ZINC001269570588 1081293116 /nfs/dbraw/zinc/29/31/16/1081293116.db2.gz NYCHPKXMFKGBKD-FBVQUNGASA-N 1 3 319.493 2.098 20 30 DEEDHO C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCN1CCC)C1CCCC1 ZINC001671536211 1081522104 /nfs/dbraw/zinc/52/21/04/1081522104.db2.gz MGMGYUFPVUFWJO-QZTJIDSGSA-N 1 3 319.493 2.149 20 30 DEEDHO C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001409460394 1082902491 /nfs/dbraw/zinc/90/24/91/1082902491.db2.gz ZREJRTASXGLQMP-ZIAGYGMSSA-N 1 3 315.889 2.153 20 30 DEEDHO C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001409460394 1082902494 /nfs/dbraw/zinc/90/24/94/1082902494.db2.gz ZREJRTASXGLQMP-ZIAGYGMSSA-N 1 3 315.889 2.153 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001276606919 1083511909 /nfs/dbraw/zinc/51/19/09/1083511909.db2.gz CYXOQGJGKQCQKZ-JKSUJKDBSA-N 1 3 309.498 2.365 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001276606919 1083511920 /nfs/dbraw/zinc/51/19/20/1083511920.db2.gz CYXOQGJGKQCQKZ-JKSUJKDBSA-N 1 3 309.498 2.365 20 30 DEEDHO CC#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001277394074 1083943910 /nfs/dbraw/zinc/94/39/10/1083943910.db2.gz XTNNBMOUWYJYBJ-SFHVURJKSA-N 1 3 319.493 2.053 20 30 DEEDHO CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001277394074 1083943921 /nfs/dbraw/zinc/94/39/21/1083943921.db2.gz XTNNBMOUWYJYBJ-SFHVURJKSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[NH2+]C1(CNC(=O)CN(C)CC(C)(C)C)CCCCC1 ZINC001115729973 1084168467 /nfs/dbraw/zinc/16/84/67/1084168467.db2.gz AABRULCTVLTGBB-UHFFFAOYSA-N 1 3 321.509 2.396 20 30 DEEDHO C=CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001078700093 1084816064 /nfs/dbraw/zinc/81/60/64/1084816064.db2.gz GPCWDLLHUJEFJN-LSDHHAIUSA-N 1 3 305.466 2.064 20 30 DEEDHO C=CC[NH2+]C1CCC(N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC000964035145 1085155496 /nfs/dbraw/zinc/15/54/96/1085155496.db2.gz PEKFAKVYQTXGJE-UHFFFAOYSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC001079850189 1088475182 /nfs/dbraw/zinc/47/51/82/1088475182.db2.gz JJYMVEDLFPQZNN-KBAYOESNSA-N 1 3 319.493 2.406 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC001079850189 1088475188 /nfs/dbraw/zinc/47/51/88/1088475188.db2.gz JJYMVEDLFPQZNN-KBAYOESNSA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001274446612 1091250944 /nfs/dbraw/zinc/25/09/44/1091250944.db2.gz RIUVKULQQVYHDQ-HZPDHXFCSA-N 1 3 309.498 2.365 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001274446612 1091250950 /nfs/dbraw/zinc/25/09/50/1091250950.db2.gz RIUVKULQQVYHDQ-HZPDHXFCSA-N 1 3 309.498 2.365 20 30 DEEDHO C=C(Cl)CNC[C@@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C ZINC001411223604 1091439207 /nfs/dbraw/zinc/43/92/07/1091439207.db2.gz MHHQLWYFMAPGQF-CQSZACIVSA-N 1 3 315.889 2.201 20 30 DEEDHO CCCCCCCCCC[C@H](O)CN1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246023372 1091689878 /nfs/dbraw/zinc/68/98/78/1091689878.db2.gz RKGBOWZFMYMUKH-ULQDDVLXSA-N 1 3 300.487 2.130 20 30 DEEDHO C=CCCCC[NH+]1CCC2(CCN(CCN(C)C)C2=O)CC1 ZINC001273494921 1091883007 /nfs/dbraw/zinc/88/30/07/1091883007.db2.gz JHBQNYNEEQQUSX-UHFFFAOYSA-N 1 3 307.482 2.219 20 30 DEEDHO C#CCC[NH2+]C1CCC(N(C)C(=O)CN(C)CC(C)(C)C)CC1 ZINC001275624335 1091917602 /nfs/dbraw/zinc/91/76/02/1091917602.db2.gz KQJQQYQJJGNCPJ-UHFFFAOYSA-N 1 3 321.509 2.347 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948811920 1091951591 /nfs/dbraw/zinc/95/15/91/1091951591.db2.gz BHTQWASZHCFYAT-MRXNPFEDSA-N 1 3 304.438 2.231 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948811920 1091951603 /nfs/dbraw/zinc/95/16/03/1091951603.db2.gz BHTQWASZHCFYAT-MRXNPFEDSA-N 1 3 304.438 2.231 20 30 DEEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001488646985 1092656624 /nfs/dbraw/zinc/65/66/24/1092656624.db2.gz HNAAPJYMWSFXEI-INIZCTEOSA-N 1 3 307.482 2.360 20 30 DEEDHO C#CC[NH2+]C[C@]1(NC(=O)CN(C)CC(C)(C)C)CCCC[C@H]1C ZINC001495320247 1093159279 /nfs/dbraw/zinc/15/92/79/1093159279.db2.gz JOSUHCSDIJESOL-VQIMIIECSA-N 1 3 321.509 2.252 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001490424691 1093373690 /nfs/dbraw/zinc/37/36/90/1093373690.db2.gz HHGMJTJHIATPSB-UHFFFAOYSA-N 1 3 307.482 2.361 20 30 DEEDHO CC#CCNCc1ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001318995435 1140488127 /nfs/dbraw/zinc/48/81/27/1140488127.db2.gz CAHQKAMTNIDZLI-SFHVURJKSA-N 1 3 315.461 2.002 20 30 DEEDHO C=CCCC[NH+]1CC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001319403902 1140565138 /nfs/dbraw/zinc/56/51/38/1140565138.db2.gz YNHFRZPRJDZEEM-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO CC#CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1CCCCC1 ZINC001319662985 1140650345 /nfs/dbraw/zinc/65/03/45/1140650345.db2.gz KZAZYYUQHJJDIT-ZWKOTPCHSA-N 1 3 321.509 2.251 20 30 DEEDHO C=CCN1C(=O)CCC[C@]12CCCN([C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246709444 1141039391 /nfs/dbraw/zinc/03/93/91/1141039391.db2.gz SIQNPVWSSXOJRL-XYJFISCASA-N 1 3 305.466 2.160 20 30 DEEDHO C=C(C)C[NH+]1CCC(C)(NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001324343789 1142059772 /nfs/dbraw/zinc/05/97/72/1142059772.db2.gz UAQFELYBUVJODK-IYBDPMFKSA-N 1 3 307.482 2.406 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCC(C)(C)C)CC1 ZINC001329625589 1148946201 /nfs/dbraw/zinc/94/62/01/1148946201.db2.gz XPFZXCDHQKQZOZ-MRXNPFEDSA-N 1 3 321.509 2.204 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCC(C)(C)C)CC1 ZINC001329625589 1148946218 /nfs/dbraw/zinc/94/62/18/1148946218.db2.gz XPFZXCDHQKQZOZ-MRXNPFEDSA-N 1 3 321.509 2.204 20 30 DEEDHO C=CCC[C@H](O)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001252620697 1142793165 /nfs/dbraw/zinc/79/31/65/1142793165.db2.gz YLJAVLMQCXKGRF-SFHVURJKSA-N 1 3 303.450 2.210 20 30 DEEDHO C=CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001265087258 1144640738 /nfs/dbraw/zinc/64/07/38/1144640738.db2.gz XHBOSQBWXLZHBB-NVXWUHKLSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001265306048 1144689370 /nfs/dbraw/zinc/68/93/70/1144689370.db2.gz ISTGIHVYJHMEHE-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001265306048 1144689372 /nfs/dbraw/zinc/68/93/72/1144689372.db2.gz ISTGIHVYJHMEHE-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO CC#CCN1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001281559631 1144897333 /nfs/dbraw/zinc/89/73/33/1144897333.db2.gz XYXCFRFOZFXZCS-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001281559631 1144897334 /nfs/dbraw/zinc/89/73/34/1144897334.db2.gz XYXCFRFOZFXZCS-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CCC([C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001284720201 1145894840 /nfs/dbraw/zinc/89/48/40/1145894840.db2.gz WLZYZWKUFAGFBJ-FUHWJXTLSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CCC([C@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001284720201 1145894841 /nfs/dbraw/zinc/89/48/41/1145894841.db2.gz WLZYZWKUFAGFBJ-FUHWJXTLSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001317436463 1147708283 /nfs/dbraw/zinc/70/82/83/1147708283.db2.gz RMJNJFOURLMNKA-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001317436463 1147708285 /nfs/dbraw/zinc/70/82/85/1147708285.db2.gz RMJNJFOURLMNKA-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001326419826 1148097367 /nfs/dbraw/zinc/09/73/67/1148097367.db2.gz SEYBXRVBOHSWHX-IRXDYDNUSA-N 1 3 309.498 2.367 20 30 DEEDHO C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001326512714 1148125739 /nfs/dbraw/zinc/12/57/39/1148125739.db2.gz JVAFAQRABQCOIX-QAQDUYKDSA-N 1 3 319.493 2.149 20 30 DEEDHO C=CC[C@@]1(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CCC[NH2+]1 ZINC000662689124 540333910 /nfs/dbraw/zinc/33/39/10/540333910.db2.gz DYRDWVDQPDADDI-MJGOQNOKSA-N 1 3 315.461 2.412 20 30 DEEDHO C[NH+](C)C1(CNC(=O)[C@H](N)CCCCC#N)CCCCCC1 ZINC000594446408 358274227 /nfs/dbraw/zinc/27/42/27/358274227.db2.gz SQONOXQIRFDKKP-OAHLLOKOSA-N 1 3 308.470 2.168 20 30 DEEDHO C=CC[C@H](CO)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000680484075 542012346 /nfs/dbraw/zinc/01/23/46/542012346.db2.gz DQZHLSTUBPTROE-QGZVFWFLSA-N 1 3 317.477 2.244 20 30 DEEDHO C=CC[C@H](CO)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000680484075 542012351 /nfs/dbraw/zinc/01/23/51/542012351.db2.gz DQZHLSTUBPTROE-QGZVFWFLSA-N 1 3 317.477 2.244 20 30 DEEDHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424143874 296312882 /nfs/dbraw/zinc/31/28/82/296312882.db2.gz GSQCUWJCJNYSAU-IKGGRYGDSA-N 1 3 320.481 2.121 20 30 DEEDHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424143874 296312883 /nfs/dbraw/zinc/31/28/83/296312883.db2.gz GSQCUWJCJNYSAU-IKGGRYGDSA-N 1 3 320.481 2.121 20 30 DEEDHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424143876 296313596 /nfs/dbraw/zinc/31/35/96/296313596.db2.gz GSQCUWJCJNYSAU-ZACQAIPSSA-N 1 3 320.481 2.121 20 30 DEEDHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424143876 296313597 /nfs/dbraw/zinc/31/35/97/296313597.db2.gz GSQCUWJCJNYSAU-ZACQAIPSSA-N 1 3 320.481 2.121 20 30 DEEDHO C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001327434666 1148554527 /nfs/dbraw/zinc/55/45/27/1148554527.db2.gz BVYUUKGLVQKJQY-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO CN(CCC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841311 401911530 /nfs/dbraw/zinc/91/15/30/401911530.db2.gz ZUNVHKHVCXBBMB-MRXNPFEDSA-N 1 3 314.433 2.160 20 30 DEEDHO CN(CCC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841311 401911531 /nfs/dbraw/zinc/91/15/31/401911531.db2.gz ZUNVHKHVCXBBMB-MRXNPFEDSA-N 1 3 314.433 2.160 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000171734956 402616272 /nfs/dbraw/zinc/61/62/72/402616272.db2.gz MDSPQAKWJRPKLF-MRXNPFEDSA-N 1 3 322.497 2.056 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000171734956 402616273 /nfs/dbraw/zinc/61/62/73/402616273.db2.gz MDSPQAKWJRPKLF-MRXNPFEDSA-N 1 3 322.497 2.056 20 30 DEEDHO C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C[NH+]1CCCC1 ZINC000279617405 402960715 /nfs/dbraw/zinc/96/07/15/402960715.db2.gz UMCPZHDMVIEOQF-QAPCUYQASA-N 1 3 324.428 2.089 20 30 DEEDHO Cc1cc(C)cc(NC(=[NH2+])NCCN2CCN(C)C(C)(C)C2)c1 ZINC000281872189 403100020 /nfs/dbraw/zinc/10/00/20/403100020.db2.gz WIZJUNZVQVOWMP-UHFFFAOYSA-N 1 3 317.481 2.056 20 30 DEEDHO CC[NH+](CC)C[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349856064 404228231 /nfs/dbraw/zinc/22/82/31/404228231.db2.gz YSMGNVFVIMVLLZ-RHSMWYFYSA-N 1 3 312.417 2.087 20 30 DEEDHO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+]CC1(N)CCC1 ZINC000342143330 404398641 /nfs/dbraw/zinc/39/86/41/404398641.db2.gz SMMAAIFGGSMBKS-CYBMUJFWSA-N 1 3 307.463 2.122 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000357181481 404730487 /nfs/dbraw/zinc/73/04/87/404730487.db2.gz VFFNRAVRPITUBZ-UHFFFAOYSA-N 1 3 322.497 2.058 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000417069954 405025739 /nfs/dbraw/zinc/02/57/39/405025739.db2.gz UXZZSKRUWMNHPA-BRWVUGGUSA-N 1 3 322.497 2.125 20 30 DEEDHO COc1cc(C#N)ccc1OCCN1CCC(C[NH+](C)C)CC1 ZINC000354402959 405197301 /nfs/dbraw/zinc/19/73/01/405197301.db2.gz YLSYMNDSNNPLGU-UHFFFAOYSA-N 1 3 317.433 2.219 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2)C(C)C ZINC000655444349 425567326 /nfs/dbraw/zinc/56/73/26/425567326.db2.gz COUIIBQSWVNYDQ-LMMKCTJWSA-N 1 3 319.493 2.191 20 30 DEEDHO C=CC[C@]1(C(=O)NCCCN(C)Cc2ccccc2)CCC[NH2+]1 ZINC000662669325 425707797 /nfs/dbraw/zinc/70/77/97/425707797.db2.gz PUHJGNUECDUNRI-LJQANCHMSA-N 1 3 315.461 2.323 20 30 DEEDHO C=CC[C@]1(C(=O)NC[C@H]2CCCCN2CCCC)CCC[NH2+]1 ZINC000662702096 425717030 /nfs/dbraw/zinc/71/70/30/425717030.db2.gz WLKHZHDBEMBGTQ-SJLPKXTDSA-N 1 3 307.482 2.456 20 30 DEEDHO CN1CCC(O)(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360650948 277032133 /nfs/dbraw/zinc/03/21/33/277032133.db2.gz ZSEYPEZGIAKEED-SFHVURJKSA-N 1 3 313.445 2.372 20 30 DEEDHO C[NH+]=C(NCC1(N(C)C)CCCCCC1)N(C)Cc1ccon1 ZINC000261698216 526350734 /nfs/dbraw/zinc/35/07/34/526350734.db2.gz FWBBYHVMIGUWJA-UHFFFAOYSA-N 1 3 321.469 2.336 20 30 DEEDHO C[NH+]=C(NC[C@@H]1CC=CCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262489879 526368745 /nfs/dbraw/zinc/36/87/45/526368745.db2.gz UKKBIKUYQYQNPC-IAGOWNOFSA-N 1 3 304.482 2.478 20 30 DEEDHO C=C(C)CNC(=[NH2+])NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000264119726 526575592 /nfs/dbraw/zinc/57/55/92/526575592.db2.gz UOWHMZCUTQAURT-AWEZNQCLSA-N 1 3 306.479 2.441 20 30 DEEDHO C=CCOc1ccc(CNC2CC[NH+](CCOC)CC2)cc1 ZINC000237109353 526884000 /nfs/dbraw/zinc/88/40/00/526884000.db2.gz PXJZPCCVWFJRKR-UHFFFAOYSA-N 1 3 304.434 2.452 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)c1cccs1 ZINC000267376885 529100955 /nfs/dbraw/zinc/10/09/55/529100955.db2.gz ADDNGRQMKQSWQS-ZDUSSCGKSA-N 1 3 308.495 2.414 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001379162034 1152584191 /nfs/dbraw/zinc/58/41/91/1152584191.db2.gz YXPUPMGHYIUVMT-KGLIPLIRSA-N 1 3 313.873 2.098 20 30 DEEDHO C#CCCN1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC000970719262 623640160 /nfs/dbraw/zinc/64/01/60/623640160.db2.gz PGTXXMUDXQKVBJ-WMZOPIPTSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCCN1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970719262 623640163 /nfs/dbraw/zinc/64/01/63/623640163.db2.gz PGTXXMUDXQKVBJ-WMZOPIPTSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001024468095 625794673 /nfs/dbraw/zinc/79/46/73/625794673.db2.gz IFPGOLUJEMSDPP-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001024468095 625794679 /nfs/dbraw/zinc/79/46/79/625794679.db2.gz IFPGOLUJEMSDPP-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024503295 625820825 /nfs/dbraw/zinc/82/08/25/625820825.db2.gz ZJRGIUIHDWVENR-KRWDZBQOSA-N 1 3 319.493 2.409 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000836918863 650146036 /nfs/dbraw/zinc/14/60/36/650146036.db2.gz BXEAMWYPVOZZPD-INIZCTEOSA-N 1 3 315.461 2.085 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001027919014 634966475 /nfs/dbraw/zinc/96/64/75/634966475.db2.gz SFAOGQAXQRMTOR-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001027919014 634966480 /nfs/dbraw/zinc/96/64/80/634966480.db2.gz SFAOGQAXQRMTOR-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000980472658 635013705 /nfs/dbraw/zinc/01/37/05/635013705.db2.gz VZIOHOZKVGPARH-GOSISDBHSA-N 1 3 315.461 2.471 20 30 DEEDHO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000980472658 635013708 /nfs/dbraw/zinc/01/37/08/635013708.db2.gz VZIOHOZKVGPARH-GOSISDBHSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CCN1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001000882425 635329258 /nfs/dbraw/zinc/32/92/58/635329258.db2.gz BDUYGGCHQBPSCR-KRWDZBQOSA-N 1 3 305.466 2.041 20 30 DEEDHO C=CCN1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001000882425 635329266 /nfs/dbraw/zinc/32/92/66/635329266.db2.gz BDUYGGCHQBPSCR-KRWDZBQOSA-N 1 3 305.466 2.041 20 30 DEEDHO C=CCN1CC=C(CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001001351061 635471429 /nfs/dbraw/zinc/47/14/29/635471429.db2.gz RFHAJONLMAVDAX-UHFFFAOYSA-N 1 3 317.477 2.043 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)C1 ZINC000981841421 635683133 /nfs/dbraw/zinc/68/31/33/635683133.db2.gz BZAWXNOSCFCHMR-IRXDYDNUSA-N 1 3 317.477 2.114 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)C1 ZINC000981841421 635683137 /nfs/dbraw/zinc/68/31/37/635683137.db2.gz BZAWXNOSCFCHMR-IRXDYDNUSA-N 1 3 317.477 2.114 20 30 DEEDHO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3CCC)C[C@@]2(C)C1 ZINC000982292613 635950999 /nfs/dbraw/zinc/95/09/99/635950999.db2.gz QOLVKQFIMDTGCI-YTQUADARSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3CCC)C[C@@]2(C)C1 ZINC000982292613 635951000 /nfs/dbraw/zinc/95/10/00/635951000.db2.gz QOLVKQFIMDTGCI-YTQUADARSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001005496111 636751404 /nfs/dbraw/zinc/75/14/04/636751404.db2.gz GGJWVQSASICJSR-MRXNPFEDSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001005496111 636751407 /nfs/dbraw/zinc/75/14/07/636751407.db2.gz GGJWVQSASICJSR-MRXNPFEDSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)CC[NH+]1CCC(N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC001005999140 637064434 /nfs/dbraw/zinc/06/44/34/637064434.db2.gz YLPZHLFXQANOEO-MRXNPFEDSA-N 1 3 307.482 2.360 20 30 DEEDHO Cc1c(C[C@@H](C[NH3+])CN[C@H](C)c2cccc(C#N)c2)cnn1C ZINC000903950820 643527229 /nfs/dbraw/zinc/52/72/29/643527229.db2.gz RNFXNHZVCFXXIN-CJNGLKHVSA-N 1 3 311.433 2.068 20 30 DEEDHO C=CCN1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CCC[C@H]12 ZINC000991044986 643621713 /nfs/dbraw/zinc/62/17/13/643621713.db2.gz SENJBIKSXWOVBZ-ZIFCJYIRSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCN1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CCC[C@H]12 ZINC000991044986 643621716 /nfs/dbraw/zinc/62/17/16/643621716.db2.gz SENJBIKSXWOVBZ-ZIFCJYIRSA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000907449578 644557320 /nfs/dbraw/zinc/55/73/20/644557320.db2.gz XNKZFIHZSOATGM-NVXWUHKLSA-N 1 3 303.450 2.302 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000908206254 644783480 /nfs/dbraw/zinc/78/34/80/644783480.db2.gz GJNKDYLSNOMPMU-INIZCTEOSA-N 1 3 307.413 2.053 20 30 DEEDHO C#CCCN1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000994134666 647791977 /nfs/dbraw/zinc/79/19/77/647791977.db2.gz PORDLELOVZQWKD-FUHWJXTLSA-N 1 3 319.493 2.099 20 30 DEEDHO C=CCN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940754354 648940111 /nfs/dbraw/zinc/94/01/11/648940111.db2.gz WUCGNKNNBCSZMU-ARFHVFGLSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940754354 648940114 /nfs/dbraw/zinc/94/01/14/648940114.db2.gz WUCGNKNNBCSZMU-ARFHVFGLSA-N 1 3 307.482 2.119 20 30 DEEDHO CC#CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000940785583 648941054 /nfs/dbraw/zinc/94/10/54/648941054.db2.gz OIHWHURKPBQCJT-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000940785583 648941055 /nfs/dbraw/zinc/94/10/55/648941055.db2.gz OIHWHURKPBQCJT-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCN1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940863649 648957727 /nfs/dbraw/zinc/95/77/27/648957727.db2.gz FREQQDRJJRVJOR-OAHLLOKOSA-N 1 3 305.466 2.018 20 30 DEEDHO CCc1ccc(CCNC(=[NH2+])NC[C@@H]2CCCN2CC)cc1 ZINC000304761771 685259967 /nfs/dbraw/zinc/25/99/67/685259967.db2.gz UVPONBBVIRIRQG-KRWDZBQOSA-N 1 3 302.466 2.180 20 30 DEEDHO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000156278829 684287749 /nfs/dbraw/zinc/28/77/49/684287749.db2.gz WMZUVNAAPJNIOX-QGZVFWFLSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001054199387 693878474 /nfs/dbraw/zinc/87/84/74/693878474.db2.gz VOUWVMYPWWNNCE-FUHWJXTLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001054199387 693878477 /nfs/dbraw/zinc/87/84/77/693878477.db2.gz VOUWVMYPWWNNCE-FUHWJXTLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054197883 693879741 /nfs/dbraw/zinc/87/97/41/693879741.db2.gz KVMVPRJCVKDBAY-MJGOQNOKSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054197883 693879748 /nfs/dbraw/zinc/87/97/48/693879748.db2.gz KVMVPRJCVKDBAY-MJGOQNOKSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001054245496 693898773 /nfs/dbraw/zinc/89/87/73/693898773.db2.gz UFFCCLLPDIAFFI-PKOBYXMFSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001054245496 693898778 /nfs/dbraw/zinc/89/87/78/693898778.db2.gz UFFCCLLPDIAFFI-PKOBYXMFSA-N 1 3 319.493 2.361 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCc2ccccc21 ZINC000246902535 685138622 /nfs/dbraw/zinc/13/86/22/685138622.db2.gz FQXSVJMCSVTBGB-HZPDHXFCSA-N 1 3 300.450 2.105 20 30 DEEDHO CCO[C@H](CNC(=[NH2+])NC[C@H]1CCCN1CC)c1ccccc1 ZINC000253355007 685195946 /nfs/dbraw/zinc/19/59/46/685195946.db2.gz AEJNCCZMWSKMGO-IAGOWNOFSA-N 1 3 318.465 2.153 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccc(Cl)cc1 ZINC000303772972 685233374 /nfs/dbraw/zinc/23/33/74/685233374.db2.gz DYOMAYNAKYMHDX-CQSZACIVSA-N 1 3 324.856 2.107 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1csc(C(C)C)n1 ZINC000303983044 685242155 /nfs/dbraw/zinc/24/21/55/685242155.db2.gz QVKPGNFENZTTEI-AWEZNQCLSA-N 1 3 323.510 2.198 20 30 DEEDHO C#CCC[N@H+]1CCCC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001034213415 689765748 /nfs/dbraw/zinc/76/57/48/689765748.db2.gz XVPUEPASLBWHFT-KRWDZBQOSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCC[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001034213415 689765751 /nfs/dbraw/zinc/76/57/51/689765751.db2.gz XVPUEPASLBWHFT-KRWDZBQOSA-N 1 3 319.493 2.245 20 30 DEEDHO C=C(C)CN1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340030 689814398 /nfs/dbraw/zinc/81/43/98/689814398.db2.gz LJABUFZVOLLYAO-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCCC[N@H+]1CCCC ZINC000876740349 689922756 /nfs/dbraw/zinc/92/27/56/689922756.db2.gz LTCQWBBZOOHOKU-UONOGXRCSA-N 1 3 301.862 2.227 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC000876740349 689922758 /nfs/dbraw/zinc/92/27/58/689922758.db2.gz LTCQWBBZOOHOKU-UONOGXRCSA-N 1 3 301.862 2.227 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000876717607 689913990 /nfs/dbraw/zinc/91/39/90/689913990.db2.gz FTWFMCKHHCHGAN-AWEZNQCLSA-N 1 3 311.813 2.035 20 30 DEEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000876735233 689920501 /nfs/dbraw/zinc/92/05/01/689920501.db2.gz BZLIZZYKCAYZQX-BPUTZDHNSA-N 1 3 321.852 2.408 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000876736360 689921440 /nfs/dbraw/zinc/92/14/40/689921440.db2.gz KAPFDNRKGBLYPS-BZPMIXESSA-N 1 3 315.889 2.329 20 30 DEEDHO C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCCN1CC)CC2 ZINC001035260550 690076976 /nfs/dbraw/zinc/07/69/76/690076976.db2.gz ZKULPGWYQNZURT-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCCN1CC)CC2 ZINC001035260550 690076979 /nfs/dbraw/zinc/07/69/79/690076979.db2.gz ZKULPGWYQNZURT-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO N#CCCC[C@H](N)C(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877447649 690116038 /nfs/dbraw/zinc/11/60/38/690116038.db2.gz ZNUCMXBXMWIHBP-XIRDDKMYSA-N 1 3 320.481 2.154 20 30 DEEDHO C=CCN1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035810697 690183079 /nfs/dbraw/zinc/18/30/79/690183079.db2.gz PUTBKAFRPSTECF-QGZVFWFLSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCN1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035810697 690183083 /nfs/dbraw/zinc/18/30/83/690183083.db2.gz PUTBKAFRPSTECF-QGZVFWFLSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039116968 691023804 /nfs/dbraw/zinc/02/38/04/691023804.db2.gz UWCCTKSKPBMUAS-QZTJIDSGSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039116968 691023806 /nfs/dbraw/zinc/02/38/06/691023806.db2.gz UWCCTKSKPBMUAS-QZTJIDSGSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039216246 691057485 /nfs/dbraw/zinc/05/74/85/691057485.db2.gz ZATXDFKPFSPTJO-FUHWJXTLSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039216246 691057487 /nfs/dbraw/zinc/05/74/87/691057487.db2.gz ZATXDFKPFSPTJO-FUHWJXTLSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C1CC1)N(C)C ZINC001039288578 691075783 /nfs/dbraw/zinc/07/57/83/691075783.db2.gz AFUAQIKSVHKXGU-FBVQUNGASA-N 1 3 319.493 2.404 20 30 DEEDHO C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C1CC1)N(C)C ZINC001039289732 691075786 /nfs/dbraw/zinc/07/57/86/691075786.db2.gz XTZDAHWUBVDAFB-NPYXIHBLSA-N 1 3 305.466 2.014 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241562 691219365 /nfs/dbraw/zinc/21/93/65/691219365.db2.gz PDKHARCWYJAAFW-LJQANCHMSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241562 691219367 /nfs/dbraw/zinc/21/93/67/691219367.db2.gz PDKHARCWYJAAFW-LJQANCHMSA-N 1 3 319.493 2.361 20 30 DEEDHO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001045947244 692059852 /nfs/dbraw/zinc/05/98/52/692059852.db2.gz JPLWJWJRAIPCDA-MJGOQNOKSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001045947244 692059854 /nfs/dbraw/zinc/05/98/54/692059854.db2.gz JPLWJWJRAIPCDA-MJGOQNOKSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCN1CC[C@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001046706756 692268376 /nfs/dbraw/zinc/26/83/76/692268376.db2.gz LBOYHUJBPDHRSD-SFHVURJKSA-N 1 3 301.434 2.128 20 30 DEEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001049615454 692940763 /nfs/dbraw/zinc/94/07/63/692940763.db2.gz KCSJPADCBROVDI-KZNAEPCWSA-N 1 3 317.477 2.112 20 30 DEEDHO CC1(C)[NH2+]CC[C@H]1NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000925704064 693327157 /nfs/dbraw/zinc/32/71/57/693327157.db2.gz XNBLOCHFZNGNHH-GOSISDBHSA-N 1 3 312.461 2.253 20 30 DEEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001388794206 1155090335 /nfs/dbraw/zinc/09/03/35/1155090335.db2.gz IQIHXCZOAWPOEN-AWEZNQCLSA-N 1 3 301.862 2.051 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001376549219 1159529768 /nfs/dbraw/zinc/52/97/68/1159529768.db2.gz SSVSEALGPYAPOD-CQSZACIVSA-N 1 3 313.873 2.051 20 30 DEEDHO C=CCCC[C@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001122210694 782477506 /nfs/dbraw/zinc/47/75/06/782477506.db2.gz OXPAWYPIVFVLFO-RDJZCZTQSA-N 1 3 307.482 2.298 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106667873 782843217 /nfs/dbraw/zinc/84/32/17/782843217.db2.gz AKVPXNRMORQKGP-IAGOWNOFSA-N 1 3 321.509 2.369 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106668151 782843351 /nfs/dbraw/zinc/84/33/51/782843351.db2.gz FJIWZONRDVZPDJ-IAGOWNOFSA-N 1 3 321.509 2.369 20 30 DEEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)CN2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493211 783158996 /nfs/dbraw/zinc/15/89/96/783158996.db2.gz UVRFGJOUWAPGNC-IAGOWNOFSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493211 783159002 /nfs/dbraw/zinc/15/90/02/783159002.db2.gz UVRFGJOUWAPGNC-IAGOWNOFSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001161239547 778792684 /nfs/dbraw/zinc/79/26/84/778792684.db2.gz IXWBVGAZIKUCKQ-KRWDZBQOSA-N 1 3 307.482 2.431 20 30 DEEDHO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001161239547 778792689 /nfs/dbraw/zinc/79/26/89/778792689.db2.gz IXWBVGAZIKUCKQ-KRWDZBQOSA-N 1 3 307.482 2.431 20 30 DEEDHO C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001088311838 779935773 /nfs/dbraw/zinc/93/57/73/779935773.db2.gz IEAMJRKVRIJRHJ-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H]1C ZINC001088692854 780828089 /nfs/dbraw/zinc/82/80/89/780828089.db2.gz ALIMOFUAMNVCSP-IXDOHACOSA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H]1C ZINC001088692854 780828099 /nfs/dbraw/zinc/82/80/99/780828099.db2.gz ALIMOFUAMNVCSP-IXDOHACOSA-N 1 3 307.482 2.262 20 30 DEEDHO C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCCCCC)C2 ZINC001108780416 785536377 /nfs/dbraw/zinc/53/63/77/785536377.db2.gz AAPOVOIYKOZBLE-KSZLIROESA-N 1 3 319.493 2.101 20 30 DEEDHO C#CC[NH2+]C[C@H]1CN(C(=O)CN(C)CCCCCC)CC[C@@H]1C ZINC001133186409 788310278 /nfs/dbraw/zinc/31/02/78/788310278.db2.gz UOWSBJLQZBPYJE-ROUUACIJSA-N 1 3 321.509 2.206 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C ZINC001133275100 788345896 /nfs/dbraw/zinc/34/58/96/788345896.db2.gz PGONJTJEIMGIOT-DLBZAZTESA-N 1 3 309.498 2.369 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C ZINC001133274075 788346143 /nfs/dbraw/zinc/34/61/43/788346143.db2.gz AVZOZDULJKIKCK-SJORKVTESA-N 1 3 309.498 2.369 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001147724651 791605257 /nfs/dbraw/zinc/60/52/57/791605257.db2.gz LRLCJPQNLSRUNL-INIZCTEOSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001147724651 791605264 /nfs/dbraw/zinc/60/52/64/791605264.db2.gz LRLCJPQNLSRUNL-INIZCTEOSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCCC[N@H+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001148819829 791808182 /nfs/dbraw/zinc/80/81/82/791808182.db2.gz QMCGSWCKAASQBB-CALCHBBNSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCCC[N@@H+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001148819829 791808184 /nfs/dbraw/zinc/80/81/84/791808184.db2.gz QMCGSWCKAASQBB-CALCHBBNSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001086942419 791856551 /nfs/dbraw/zinc/85/65/51/791856551.db2.gz QOBMXEGCTFJFSP-IAGOWNOFSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001093025062 792204884 /nfs/dbraw/zinc/20/48/84/792204884.db2.gz PJWFGBRBYGVCAF-BRWVUGGUSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001093025062 792204894 /nfs/dbraw/zinc/20/48/94/792204894.db2.gz PJWFGBRBYGVCAF-BRWVUGGUSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(CC)CC ZINC001099536270 792233685 /nfs/dbraw/zinc/23/36/85/792233685.db2.gz KVKZYJXCBOGAMG-FJIDUMEYSA-N 1 3 319.493 2.073 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(CC)CC ZINC001099536270 792233689 /nfs/dbraw/zinc/23/36/89/792233689.db2.gz KVKZYJXCBOGAMG-FJIDUMEYSA-N 1 3 319.493 2.073 20 30 DEEDHO C=C(Cl)CNC1CC(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001100669400 792779764 /nfs/dbraw/zinc/77/97/64/792779764.db2.gz WXCNPTZSJKZBRR-YMAMQOFZSA-N 1 3 315.889 2.344 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101363939 793134468 /nfs/dbraw/zinc/13/44/68/793134468.db2.gz GZQOJEAZBFIAHP-SCTDSRPQSA-N 1 3 319.493 2.075 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101363939 793134473 /nfs/dbraw/zinc/13/44/73/793134473.db2.gz GZQOJEAZBFIAHP-SCTDSRPQSA-N 1 3 319.493 2.075 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)(C)C1)C2 ZINC001094999614 793566688 /nfs/dbraw/zinc/56/66/88/793566688.db2.gz KASOOUUUBPRHJM-ULQDDVLXSA-N 1 3 319.493 2.264 20 30 DEEDHO CC[NH+](CC)C1CCC(N2CCC(C#N)(C(=O)OC)CC2)CC1 ZINC001173117066 793582215 /nfs/dbraw/zinc/58/22/15/793582215.db2.gz JKRRIBNFVUFYDC-UHFFFAOYSA-N 1 3 321.465 2.418 20 30 DEEDHO C=CC[N@H+]1C[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102428671 793611312 /nfs/dbraw/zinc/61/13/12/793611312.db2.gz NXWJQIPZOQEUSJ-IXDOHACOSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102428671 793611316 /nfs/dbraw/zinc/61/13/16/793611316.db2.gz NXWJQIPZOQEUSJ-IXDOHACOSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103083734 793934051 /nfs/dbraw/zinc/93/40/51/793934051.db2.gz HEKZYIGSMCNMCW-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103083734 793934054 /nfs/dbraw/zinc/93/40/54/793934054.db2.gz HEKZYIGSMCNMCW-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO CC#CC[NH2+]C1(CNC(=O)[C@H]2CCCN2CCC)CCCCC1 ZINC001115562641 794823216 /nfs/dbraw/zinc/82/32/16/794823216.db2.gz DIOMJFIIJPDHTI-QGZVFWFLSA-N 1 3 319.493 2.293 20 30 DEEDHO C#CCC[NH2+][C@H]1CCN(C(=O)CN(C)CCCCCC)[C@H]1C ZINC001179749117 795171987 /nfs/dbraw/zinc/17/19/87/795171987.db2.gz YLLDGCKRYFEFCK-IRXDYDNUSA-N 1 3 307.482 2.101 20 30 DEEDHO C=C(Cl)C[NH2+]C1(CNC(=O)CN(C)CCC)CCCCC1 ZINC001120046159 795397352 /nfs/dbraw/zinc/39/73/52/795397352.db2.gz NIAIUSQMMYONIY-UHFFFAOYSA-N 1 3 315.889 2.489 20 30 DEEDHO CC#CC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001120190541 795419548 /nfs/dbraw/zinc/41/95/48/795419548.db2.gz UYNXDVSBMGLALM-CALCHBBNSA-N 1 3 319.493 2.291 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001184565551 796083988 /nfs/dbraw/zinc/08/39/88/796083988.db2.gz JWEVRUDNGTYOGI-CVEARBPZSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001189389233 796815851 /nfs/dbraw/zinc/81/58/51/796815851.db2.gz IWYUDRCEBVSOAA-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001189389233 796815857 /nfs/dbraw/zinc/81/58/57/796815857.db2.gz IWYUDRCEBVSOAA-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001155238013 797715808 /nfs/dbraw/zinc/71/58/08/797715808.db2.gz UPVHQUGPXVVUFY-RHSMWYFYSA-N 1 3 313.461 2.212 20 30 DEEDHO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001155238013 797715814 /nfs/dbraw/zinc/71/58/14/797715814.db2.gz UPVHQUGPXVVUFY-RHSMWYFYSA-N 1 3 313.461 2.212 20 30 DEEDHO CCCCCCCCCCN(C)C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001161221499 798812142 /nfs/dbraw/zinc/81/21/42/798812142.db2.gz SCXKXNGLBRZREZ-MRXNPFEDSA-N 1 3 309.498 2.395 20 30 DEEDHO C=C(C)CC[N@H+]1CC=C(CCNC(=O)CN(C)CCC)CC1 ZINC001161755098 798930045 /nfs/dbraw/zinc/93/00/45/798930045.db2.gz LQXFSWOMNDBYLN-UHFFFAOYSA-N 1 3 307.482 2.433 20 30 DEEDHO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)CN(C)CCC)CC1 ZINC001161755098 798930052 /nfs/dbraw/zinc/93/00/52/798930052.db2.gz LQXFSWOMNDBYLN-UHFFFAOYSA-N 1 3 307.482 2.433 20 30 DEEDHO CC#CCN1CC=C(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001161924472 798968905 /nfs/dbraw/zinc/96/89/05/798968905.db2.gz DNEGJFWWAWABLN-IRXDYDNUSA-N 1 3 317.477 2.021 20 30 DEEDHO C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001161953398 798978501 /nfs/dbraw/zinc/97/85/01/798978501.db2.gz UNJYPYIRHGUMEC-KRWDZBQOSA-N 1 3 305.466 2.185 20 30 DEEDHO C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001161953398 798978505 /nfs/dbraw/zinc/97/85/05/798978505.db2.gz UNJYPYIRHGUMEC-KRWDZBQOSA-N 1 3 305.466 2.185 20 30 DEEDHO C=C(Cl)C[NH2+]CC1(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001165464681 799734530 /nfs/dbraw/zinc/73/45/30/799734530.db2.gz JUUMVNKBUHKXPN-UHFFFAOYSA-N 1 3 313.873 2.099 20 30 DEEDHO C=CCCC[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166686997 799922245 /nfs/dbraw/zinc/92/22/45/799922245.db2.gz GMOAZWOQYPSZGC-QGZVFWFLSA-N 1 3 313.461 2.261 20 30 DEEDHO C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203659844 800101656 /nfs/dbraw/zinc/10/16/56/800101656.db2.gz MKXNQYRWXHDQJH-CVEARBPZSA-N 1 3 316.449 2.244 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001208014129 800892158 /nfs/dbraw/zinc/89/21/58/800892158.db2.gz MNHRWSXDEURJPM-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001208014132 800892929 /nfs/dbraw/zinc/89/29/29/800892929.db2.gz MNHRWSXDEURJPM-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208123716 800916546 /nfs/dbraw/zinc/91/65/46/800916546.db2.gz RIEMOBVPTGOPQQ-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO CN(C)CCC(=O)c1ccc(O[C@H](CC#N)C[N+](C)(C)C)cc1 ZINC001229302610 801252831 /nfs/dbraw/zinc/25/28/31/801252831.db2.gz KWCRJJMXSAAOGG-QGZVFWFLSA-N 1 3 318.441 2.188 20 30 DEEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094490 801511536 /nfs/dbraw/zinc/51/15/36/801511536.db2.gz BOAAMLLTOPSRLK-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CC[NH+]1CCC(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001223524348 802798270 /nfs/dbraw/zinc/79/82/70/802798270.db2.gz CWPCFTDNMZCGRI-KRWDZBQOSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001479835597 1061867859 /nfs/dbraw/zinc/86/78/59/1061867859.db2.gz XWKCVJAOJMXHNZ-HUUCEWRRSA-N 1 3 315.889 2.440 20 30 DEEDHO C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001479835597 1061867871 /nfs/dbraw/zinc/86/78/71/1061867871.db2.gz XWKCVJAOJMXHNZ-HUUCEWRRSA-N 1 3 315.889 2.440 20 30 DEEDHO C=CCC[C@H](C)[NH+]1CC([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001506625671 1062208386 /nfs/dbraw/zinc/20/83/86/1062208386.db2.gz FKXICPRVXDZCCI-GJZGRUSLSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCC[N@@H+](C)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001506962897 1062604457 /nfs/dbraw/zinc/60/44/57/1062604457.db2.gz GTLKIERFJODTMA-UHFFFAOYSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCC[N@H+](C)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001506962897 1062604466 /nfs/dbraw/zinc/60/44/66/1062604466.db2.gz GTLKIERFJODTMA-UHFFFAOYSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001508231271 1063623549 /nfs/dbraw/zinc/62/35/49/1063623549.db2.gz YDMZJWGHAAFKLQ-CQSZACIVSA-N 1 3 316.449 2.364 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001508231271 1063623550 /nfs/dbraw/zinc/62/35/50/1063623550.db2.gz YDMZJWGHAAFKLQ-CQSZACIVSA-N 1 3 316.449 2.364 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001494082461 1064117494 /nfs/dbraw/zinc/11/74/94/1064117494.db2.gz GXUGNTMIVXCBAV-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001494082461 1064117500 /nfs/dbraw/zinc/11/75/00/1064117500.db2.gz GXUGNTMIVXCBAV-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001494215216 1064177932 /nfs/dbraw/zinc/17/79/32/1064177932.db2.gz YNJFKHHOKNHKOI-SFHVURJKSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001494215216 1064177933 /nfs/dbraw/zinc/17/79/33/1064177933.db2.gz YNJFKHHOKNHKOI-SFHVURJKSA-N 1 3 319.493 2.055 20 30 DEEDHO C=C(Cl)C[NH2+]CCC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001495432542 1064902990 /nfs/dbraw/zinc/90/29/90/1064902990.db2.gz KOPYNKSHRPLNQV-OAHLLOKOSA-N 1 3 315.889 2.297 20 30 DEEDHO C=C(Cl)C[NH2+]CCC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001495432539 1064903024 /nfs/dbraw/zinc/90/30/24/1064903024.db2.gz KOPYNKSHRPLNQV-HNNXBMFYSA-N 1 3 315.889 2.297 20 30 DEEDHO C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)CN(C)CCC)CC2 ZINC001495984815 1065205695 /nfs/dbraw/zinc/20/56/95/1065205695.db2.gz CPLMKKMPNPAFSE-UHFFFAOYSA-N 1 3 307.482 2.219 20 30 DEEDHO C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H](C)N1CCCCCC1 ZINC001496297123 1065391708 /nfs/dbraw/zinc/39/17/08/1065391708.db2.gz SIBPNVVISXOYQZ-MSOLQXFVSA-N 1 3 321.509 2.395 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@H]([NH2+]CCC(C)C)C(C)C)CC1 ZINC001496640084 1065612548 /nfs/dbraw/zinc/61/25/48/1065612548.db2.gz YAQYJBGDHHHVIA-SFHVURJKSA-N 1 3 321.509 2.108 20 30 DEEDHO C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001496914788 1065800911 /nfs/dbraw/zinc/80/09/11/1065800911.db2.gz ARYPTEYRTBFGGX-ROUUACIJSA-N 1 3 315.461 2.422 20 30 DEEDHO C=CCC[NH2+]CC[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001570003550 1065874741 /nfs/dbraw/zinc/87/47/41/1065874741.db2.gz ALSSKHLVWAHPCI-MRXNPFEDSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001570048419 1065901943 /nfs/dbraw/zinc/90/19/43/1065901943.db2.gz ITBVZQRZYUAOTF-QBPKDAKJSA-N 1 3 307.482 2.310 20 30 DEEDHO C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001570504247 1066098135 /nfs/dbraw/zinc/09/81/35/1066098135.db2.gz FDELSYVNMZKFCH-KRWDZBQOSA-N 1 3 309.498 2.463 20 30 DEEDHO C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001570504247 1066098144 /nfs/dbraw/zinc/09/81/44/1066098144.db2.gz FDELSYVNMZKFCH-KRWDZBQOSA-N 1 3 309.498 2.463 20 30 DEEDHO C=C(C)C[NH2+]C/C=C/CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001497677860 1066232943 /nfs/dbraw/zinc/23/29/43/1066232943.db2.gz BTBVFXAKIIAIGP-LXXRFIIISA-N 1 3 311.445 2.037 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1CC ZINC001498904548 1066950105 /nfs/dbraw/zinc/95/01/05/1066950105.db2.gz VJVLJVZDXKCXID-LSDHHAIUSA-N 1 3 315.889 2.297 20 30 DEEDHO C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](CC)CC ZINC001499511653 1067241712 /nfs/dbraw/zinc/24/17/12/1067241712.db2.gz JWEHKAKVNBHZJV-SQNIBIBYSA-N 1 3 319.493 2.195 20 30 DEEDHO C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001570841399 1068136722 /nfs/dbraw/zinc/13/67/22/1068136722.db2.gz LOHXUYDJXGKWBL-WBVHZDCISA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCCCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001571492763 1068349119 /nfs/dbraw/zinc/34/91/19/1068349119.db2.gz IMYDYVMJHCJYQE-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO CC#CCN1CCC([C@@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001571645510 1068457186 /nfs/dbraw/zinc/45/71/86/1068457186.db2.gz ISLQNPRUPAUSHA-SJLPKXTDSA-N 1 3 321.509 2.347 20 30 DEEDHO C=CCC[NH+]1CCC([C@@H](C)NC(=O)Cc2nc[nH]c2C)CC1 ZINC001571646178 1068457340 /nfs/dbraw/zinc/45/73/40/1068457340.db2.gz KDGXBARPBURVLG-CYBMUJFWSA-N 1 3 304.438 2.053 20 30 DEEDHO C#CC[N@@H+](CCCNC(=O)[C@@H]1CCCCN1C(C)C)C(C)C ZINC001267324575 1078765823 /nfs/dbraw/zinc/76/58/23/1078765823.db2.gz MCBKRNWHXHODAV-KRWDZBQOSA-N 1 3 307.482 2.099 20 30 DEEDHO C#CC[N@H+](CCCNC(=O)[C@@H]1CCCCN1C(C)C)C(C)C ZINC001267324575 1078765825 /nfs/dbraw/zinc/76/58/25/1078765825.db2.gz MCBKRNWHXHODAV-KRWDZBQOSA-N 1 3 307.482 2.099 20 30 DEEDHO C=CCN1CC[C@@](C)(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001484055969 1079276119 /nfs/dbraw/zinc/27/61/19/1079276119.db2.gz YHBKIJQWUZWPSD-GOSISDBHSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN1CC[C@@](C)(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001484055969 1079276129 /nfs/dbraw/zinc/27/61/29/1079276129.db2.gz YHBKIJQWUZWPSD-GOSISDBHSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001484113205 1079305739 /nfs/dbraw/zinc/30/57/39/1079305739.db2.gz DRMYHFYMSIGGMX-WMLDXEAASA-N 1 3 304.438 2.135 20 30 DEEDHO CC#CCN1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1CC ZINC001566029175 1075218293 /nfs/dbraw/zinc/21/82/93/1075218293.db2.gz UGOFPKRHOKFCLK-ZWKOTPCHSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@](C)(C[NH2+]CCCC)C2CC2)CC1 ZINC001267864573 1079551406 /nfs/dbraw/zinc/55/14/06/1079551406.db2.gz GSWVAJBPDGUPPU-LJQANCHMSA-N 1 3 319.493 2.006 20 30 DEEDHO CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001484570523 1079668398 /nfs/dbraw/zinc/66/83/98/1079668398.db2.gz UMMIDCAGXCAPQO-QAQDUYKDSA-N 1 3 319.493 2.149 20 30 DEEDHO C=C(C)C[N@@H+](C)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001481519399 1079989627 /nfs/dbraw/zinc/98/96/27/1079989627.db2.gz DPGXOOKJBSWSLL-UHFFFAOYSA-N 1 3 321.509 2.465 20 30 DEEDHO C=C(C)C[N@H+](C)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001481519399 1079989632 /nfs/dbraw/zinc/98/96/32/1079989632.db2.gz DPGXOOKJBSWSLL-UHFFFAOYSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCCC[N@@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001481521250 1079991519 /nfs/dbraw/zinc/99/15/19/1079991519.db2.gz WGOHWAUGJVSDLL-UHFFFAOYSA-N 1 3 307.482 2.219 20 30 DEEDHO C=CCCC[N@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001481521250 1079991524 /nfs/dbraw/zinc/99/15/24/1079991524.db2.gz WGOHWAUGJVSDLL-UHFFFAOYSA-N 1 3 307.482 2.219 20 30 DEEDHO C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001268106514 1080077210 /nfs/dbraw/zinc/07/72/10/1080077210.db2.gz UTFBLYFOHFZLEF-IRXDYDNUSA-N 1 3 307.482 2.003 20 30 DEEDHO C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001657067487 1080152125 /nfs/dbraw/zinc/15/21/25/1080152125.db2.gz WYLDPMNPEMSLEO-KRWDZBQOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001657067487 1080152129 /nfs/dbraw/zinc/15/21/29/1080152129.db2.gz WYLDPMNPEMSLEO-KRWDZBQOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001268181451 1080170942 /nfs/dbraw/zinc/17/09/42/1080170942.db2.gz XSQHEQUGONSINH-HOTGVXAUSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C1 ZINC001481690520 1080304144 /nfs/dbraw/zinc/30/41/44/1080304144.db2.gz JGBWLNAZPTXYCC-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C1 ZINC001481690520 1080304148 /nfs/dbraw/zinc/30/41/48/1080304148.db2.gz JGBWLNAZPTXYCC-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCN1CCC(C(=O)NC2(C[NH2+]CC(C)C)CCCC2)CC1 ZINC001481912459 1080601491 /nfs/dbraw/zinc/60/14/91/1080601491.db2.gz ALLIXAHDCHMLFN-UHFFFAOYSA-N 1 3 319.493 2.006 20 30 DEEDHO C#CCC[NH2+][C@H](CNC(=O)[C@H](C(C)C)N(C)C)c1ccccc1 ZINC001664583202 1080928982 /nfs/dbraw/zinc/92/89/82/1080928982.db2.gz IWWXSQMNSAPHOX-MSOLQXFVSA-N 1 3 315.461 2.043 20 30 DEEDHO C#CCC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CCCC1 ZINC001671547794 1081523062 /nfs/dbraw/zinc/52/30/62/1081523062.db2.gz GJWIDCPFFPTWKH-KRWDZBQOSA-N 1 3 319.493 2.149 20 30 DEEDHO C#CCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)N2CCCCC2)CCC1 ZINC001673242196 1081749032 /nfs/dbraw/zinc/74/90/32/1081749032.db2.gz SMAZJUIWCSHEAD-QGZVFWFLSA-N 1 3 319.493 2.149 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001271007182 1081873361 /nfs/dbraw/zinc/87/33/61/1081873361.db2.gz KITAVQDALPGEED-AEFFLSMTSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001271007182 1081873367 /nfs/dbraw/zinc/87/33/67/1081873367.db2.gz KITAVQDALPGEED-AEFFLSMTSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001271499484 1082064731 /nfs/dbraw/zinc/06/47/31/1082064731.db2.gz MUFFOABJPJMQOH-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001271591821 1082088517 /nfs/dbraw/zinc/08/85/17/1082088517.db2.gz NELLOKJYXNRPAV-SFHVURJKSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C(C)C ZINC001496563966 1082221804 /nfs/dbraw/zinc/22/18/04/1082221804.db2.gz AFUQVSIEKRTOTQ-LSDHHAIUSA-N 1 3 315.889 2.344 20 30 DEEDHO C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)C(C)C ZINC001496563966 1082221814 /nfs/dbraw/zinc/22/18/14/1082221814.db2.gz AFUQVSIEKRTOTQ-LSDHHAIUSA-N 1 3 315.889 2.344 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)N(C)C)CCC[C@@H]12 ZINC001107451258 1083405935 /nfs/dbraw/zinc/40/59/35/1083405935.db2.gz SNMQSWFGQBJIES-JFIYKMOQSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)N(C)C)CCC[C@@H]12 ZINC001107451258 1083405938 /nfs/dbraw/zinc/40/59/38/1083405938.db2.gz SNMQSWFGQBJIES-JFIYKMOQSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001491173802 1084129587 /nfs/dbraw/zinc/12/95/87/1084129587.db2.gz UJMZHRUHNVDCPP-DLBZAZTESA-N 1 3 307.482 2.123 20 30 DEEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001491237191 1084175238 /nfs/dbraw/zinc/17/52/38/1084175238.db2.gz RIGCUBIPMUYMCB-KRWDZBQOSA-N 1 3 307.482 2.409 20 30 DEEDHO C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001486518853 1085402195 /nfs/dbraw/zinc/40/21/95/1085402195.db2.gz AAJUDANPTALAOY-KRWDZBQOSA-N 1 3 307.482 2.287 20 30 DEEDHO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001486518853 1085402197 /nfs/dbraw/zinc/40/21/97/1085402197.db2.gz AAJUDANPTALAOY-KRWDZBQOSA-N 1 3 307.482 2.287 20 30 DEEDHO C=C(C)C[NH2+]C1CCC(N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC000963907147 1086594317 /nfs/dbraw/zinc/59/43/17/1086594317.db2.gz AWDWUZFEUKHDOC-KLAILNCOSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001276070853 1091507577 /nfs/dbraw/zinc/50/75/77/1091507577.db2.gz OJNZTSBYRLMBJX-HUUCEWRRSA-N 1 3 313.873 2.194 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001276070853 1091507583 /nfs/dbraw/zinc/50/75/83/1091507583.db2.gz OJNZTSBYRLMBJX-HUUCEWRRSA-N 1 3 313.873 2.194 20 30 DEEDHO C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001273802410 1092063682 /nfs/dbraw/zinc/06/36/82/1092063682.db2.gz XWVJNQRXYBOGCJ-KRWDZBQOSA-N 1 3 319.493 2.245 20 30 DEEDHO C=C(Cl)C[NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001318930982 1140469480 /nfs/dbraw/zinc/46/94/80/1140469480.db2.gz KDUGZXRNMHUIDQ-UHFFFAOYSA-N 1 3 313.873 2.053 20 30 DEEDHO C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CCN1 ZINC001246360227 1140888186 /nfs/dbraw/zinc/88/81/86/1140888186.db2.gz GOIWLUTUEWYBER-DNVCBOLYSA-N 1 3 312.461 2.253 20 30 DEEDHO C=CCCC[NH+]1CCC(C)(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001324332818 1142056919 /nfs/dbraw/zinc/05/69/19/1142056919.db2.gz CPOJDCSNPIEJDI-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCC[NH+]1CCC(C)(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001324332820 1142056995 /nfs/dbraw/zinc/05/69/95/1142056995.db2.gz CPOJDCSNPIEJDI-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCN(C(=O)CN(C)CCC)C1CC[NH+](CC2CCC2)CC1 ZINC001324440018 1142077908 /nfs/dbraw/zinc/07/79/08/1142077908.db2.gz PSVPNSSIQXNVFT-UHFFFAOYSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CC[NH2+]C[C@]1(C)CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001278582958 1142240733 /nfs/dbraw/zinc/24/07/33/1142240733.db2.gz SMHYWYFZMGODPS-IBGZPJMESA-N 1 3 315.461 2.376 20 30 DEEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001264373059 1144518008 /nfs/dbraw/zinc/51/80/08/1144518008.db2.gz QWOXHEZFEADPQK-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO CC#CC[N@H+](CC)CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001265148140 1144654699 /nfs/dbraw/zinc/65/46/99/1144654699.db2.gz WXQWTLKBSFUZNA-UHFFFAOYSA-N 1 3 315.461 2.213 20 30 DEEDHO CC#CC[N@@H+](CC)CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001265148140 1144654702 /nfs/dbraw/zinc/65/47/02/1144654702.db2.gz WXQWTLKBSFUZNA-UHFFFAOYSA-N 1 3 315.461 2.213 20 30 DEEDHO CC#CCN(CCCNC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001265180550 1144661744 /nfs/dbraw/zinc/66/17/44/1144661744.db2.gz WAGHFOSRECBDSY-UHFFFAOYSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[NH+]1CCC(N(CCC)C(=O)[C@H](CC)N(C)C)CC1 ZINC001265341144 1144696190 /nfs/dbraw/zinc/69/61/90/1144696190.db2.gz LHGHSMCCUHPGNV-KRWDZBQOSA-N 1 3 307.482 2.053 20 30 DEEDHO C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001265374501 1144699505 /nfs/dbraw/zinc/69/95/05/1144699505.db2.gz NTCLXELOLPTGJU-SJORKVTESA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCC[N@@H+](CC)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001281840720 1144915923 /nfs/dbraw/zinc/91/59/23/1144915923.db2.gz RKFGYWHOCCZAPZ-KRWDZBQOSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCC[N@H+](CC)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001281840720 1144915925 /nfs/dbraw/zinc/91/59/25/1144915925.db2.gz RKFGYWHOCCZAPZ-KRWDZBQOSA-N 1 3 321.509 2.465 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1CC ZINC001281969960 1144925136 /nfs/dbraw/zinc/92/51/36/1144925136.db2.gz XTLJMCKHYWWGRS-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1CC ZINC001281969960 1144925137 /nfs/dbraw/zinc/92/51/37/1144925137.db2.gz XTLJMCKHYWWGRS-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CC1(C)C ZINC001284292333 1145831480 /nfs/dbraw/zinc/83/14/80/1145831480.db2.gz REILPMJBUUDDII-HOTGVXAUSA-N 1 3 309.498 2.365 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001317503998 1147717099 /nfs/dbraw/zinc/71/70/99/1147717099.db2.gz BIJAYLGQCXXELI-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001317503998 1147717101 /nfs/dbraw/zinc/71/71/01/1147717101.db2.gz BIJAYLGQCXXELI-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000442713328 529774268 /nfs/dbraw/zinc/77/42/68/529774268.db2.gz ISVBNYVSLXWVOP-RBUKOAKNSA-N 1 3 312.461 2.216 20 30 DEEDHO CN(C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000277033655 213252048 /nfs/dbraw/zinc/25/20/48/213252048.db2.gz BGRYZCHGGKBUAR-INIZCTEOSA-N 1 3 314.433 2.303 20 30 DEEDHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000277033655 213252050 /nfs/dbraw/zinc/25/20/50/213252050.db2.gz BGRYZCHGGKBUAR-INIZCTEOSA-N 1 3 314.433 2.303 20 30 DEEDHO CN(C)CC(C)(C)CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000083029691 355461754 /nfs/dbraw/zinc/46/17/54/355461754.db2.gz MUQRBZQLRJVJPC-AWEZNQCLSA-N 1 3 304.438 2.002 20 30 DEEDHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCc4ccc(C#N)cc43)C2)CC1 ZINC000589341643 357465762 /nfs/dbraw/zinc/46/57/62/357465762.db2.gz CBXBJHRGDOCDAZ-PXNSSMCTSA-N 1 3 324.472 2.304 20 30 DEEDHO CC(C)(C#N)C[C@@H](O)C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000598723017 359305616 /nfs/dbraw/zinc/30/56/16/359305616.db2.gz CPVCARPCTCFELN-QGZVFWFLSA-N 1 3 316.449 2.188 20 30 DEEDHO C[C@@H](CCC#N)C[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000602533860 360421174 /nfs/dbraw/zinc/42/11/74/360421174.db2.gz PVTAFEMUKIUHQG-KRWDZBQOSA-N 1 3 315.465 2.123 20 30 DEEDHO Cc1cc(CNCC2(O)CC[NH+](C(C)C)CC2)ccc1C#N ZINC000443995015 238135909 /nfs/dbraw/zinc/13/59/09/238135909.db2.gz MDCWTONGMLOGGT-UHFFFAOYSA-N 1 3 301.434 2.192 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000085360812 401914357 /nfs/dbraw/zinc/91/43/57/401914357.db2.gz IXGQBGAZDKCQMS-OAHLLOKOSA-N 1 3 324.513 2.302 20 30 DEEDHO C#CCOc1ccc([C@@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000178521044 402507539 /nfs/dbraw/zinc/50/75/39/402507539.db2.gz JBTGPBVHTKRTDS-MRXNPFEDSA-N 1 3 316.445 2.196 20 30 DEEDHO C[NH+](C)CCC1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000268693320 403106934 /nfs/dbraw/zinc/10/69/34/403106934.db2.gz PNXRYSQIJIDZTM-GOSISDBHSA-N 1 3 301.434 2.255 20 30 DEEDHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000269420871 403138293 /nfs/dbraw/zinc/13/82/93/403138293.db2.gz LXSWUJICYMWDLR-HNNXBMFYSA-N 1 3 318.440 2.061 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000294255826 403684880 /nfs/dbraw/zinc/68/48/80/403684880.db2.gz ZNNACLBCAJSSDM-ZACQAIPSSA-N 1 3 307.482 2.176 20 30 DEEDHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCC(=O)N(C)CCC#N ZINC000348300747 404058755 /nfs/dbraw/zinc/05/87/55/404058755.db2.gz CKAOIURXYSTLGF-IRXDYDNUSA-N 1 3 322.497 2.239 20 30 DEEDHO N#C[C@@H]1CC[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000414305896 404570692 /nfs/dbraw/zinc/57/06/92/404570692.db2.gz NUVCVERDCLLQBM-MSOLQXFVSA-N 1 3 313.445 2.295 20 30 DEEDHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](N)CCCC#N ZINC000424136610 405018453 /nfs/dbraw/zinc/01/84/53/405018453.db2.gz RADGFBOVDDMNML-KRWDZBQOSA-N 1 3 316.449 2.164 20 30 DEEDHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](N)CCCC#N ZINC000424136610 405018457 /nfs/dbraw/zinc/01/84/57/405018457.db2.gz RADGFBOVDDMNML-KRWDZBQOSA-N 1 3 316.449 2.164 20 30 DEEDHO C=CCC[C@H](CO)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423155442 405705383 /nfs/dbraw/zinc/70/53/83/405705383.db2.gz LCLRSPOWVGQRKV-QGPMSJSTSA-N 1 3 302.418 2.159 20 30 DEEDHO C=CCC[C@H](CO)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423155441 405706356 /nfs/dbraw/zinc/70/63/56/405706356.db2.gz LCLRSPOWVGQRKV-KYJSFNMBSA-N 1 3 302.418 2.159 20 30 DEEDHO Cc1cc(CN2CCC(OCC[NH+](C)C)CC2)ccc1C#N ZINC000487886189 406269337 /nfs/dbraw/zinc/26/93/37/406269337.db2.gz WAPMWSMPEQHLFV-UHFFFAOYSA-N 1 3 301.434 2.409 20 30 DEEDHO C#C[C@H](NC(=[NH2+])NC[C@@H]1CCCN1CC)c1ccc(F)cc1 ZINC000491523827 406611048 /nfs/dbraw/zinc/61/10/48/406611048.db2.gz HNQYFCLTPQPZKP-HOTGVXAUSA-N 1 3 302.397 2.098 20 30 DEEDHO C[C@@H]1CN(CCC2CC[NH+](CCOCCC#N)CC2)C[C@H](C)O1 ZINC000339012879 226176908 /nfs/dbraw/zinc/17/69/08/226176908.db2.gz IVYLAZQPGIPWDQ-CALCHBBNSA-N 1 3 323.481 2.128 20 30 DEEDHO C=CC[C@H]1CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)C1 ZINC000651746386 425145592 /nfs/dbraw/zinc/14/55/92/425145592.db2.gz PELHMKQPQMDRSH-BBWFWOEESA-N 1 3 309.498 2.413 20 30 DEEDHO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CCN(CC)CC1 ZINC000661119992 425328115 /nfs/dbraw/zinc/32/81/15/425328115.db2.gz YMUQGNOJDDQMSJ-RDJZCZTQSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)C[NH+]1CCC(NCc2ccnn2-c2ccncc2)CC1 ZINC000657353598 425314418 /nfs/dbraw/zinc/31/44/18/425314418.db2.gz SCGIPFBYZYCMEO-UHFFFAOYSA-N 1 3 311.433 2.397 20 30 DEEDHO C=C(C)CN1CCC([NH2+]Cc2ccnn2-c2ccncc2)CC1 ZINC000657353598 425314420 /nfs/dbraw/zinc/31/44/20/425314420.db2.gz SCGIPFBYZYCMEO-UHFFFAOYSA-N 1 3 311.433 2.397 20 30 DEEDHO C=CC[C@]1(C(=O)N2CCCN(C3CCCC3)CC2)CCC[NH2+]1 ZINC000662707893 425718970 /nfs/dbraw/zinc/71/89/70/425718970.db2.gz OHCKMQJBBOOEOT-GOSISDBHSA-N 1 3 305.466 2.162 20 30 DEEDHO C#Cc1ccc(CNC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000289286581 275387876 /nfs/dbraw/zinc/38/78/76/275387876.db2.gz PEIXHDJTVWRHCL-UHFFFAOYSA-N 1 3 311.473 2.316 20 30 DEEDHO CC#CCN1CCCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001329955196 1149023601 /nfs/dbraw/zinc/02/36/01/1149023601.db2.gz ZPVIRMGAWGIRPT-SFHVURJKSA-N 1 3 319.493 2.247 20 30 DEEDHO COc1ccccc1CNC(=[NH2+])NC[C@@H](C(C)C)N1CCCC1 ZINC000170910370 534076162 /nfs/dbraw/zinc/07/61/62/534076162.db2.gz NEQFLXIERKHAII-INIZCTEOSA-N 1 3 318.465 2.220 20 30 DEEDHO C=C(CC)CN1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451526644 534384399 /nfs/dbraw/zinc/38/43/99/534384399.db2.gz INMXUCIDWNMBMZ-SFHVURJKSA-N 1 3 307.482 2.219 20 30 DEEDHO C=C(CC)CN1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451526644 534384403 /nfs/dbraw/zinc/38/44/03/534384403.db2.gz INMXUCIDWNMBMZ-SFHVURJKSA-N 1 3 307.482 2.219 20 30 DEEDHO C=C(Cl)CNC[C@@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001378930300 1152494524 /nfs/dbraw/zinc/49/45/24/1152494524.db2.gz WJOGQRZEQUFGJD-UKRRQHHQSA-N 1 3 315.889 2.297 20 30 DEEDHO C=C(Cl)CNC[C@@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001378930300 1152494526 /nfs/dbraw/zinc/49/45/26/1152494526.db2.gz WJOGQRZEQUFGJD-UKRRQHHQSA-N 1 3 315.889 2.297 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000417536782 526591910 /nfs/dbraw/zinc/59/19/10/526591910.db2.gz LGOXVFQORBWVOM-KRWDZBQOSA-N 1 3 322.497 2.234 20 30 DEEDHO C=CCOCC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000339013686 526770487 /nfs/dbraw/zinc/77/04/87/526770487.db2.gz ORMLETOCINRABK-CALCHBBNSA-N 1 3 310.482 2.400 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@]1(CC)CC[NH2+]C1)C(C)C ZINC000370846160 527647169 /nfs/dbraw/zinc/64/71/69/527647169.db2.gz KMRIDLZAQMJDGR-WMZOPIPTSA-N 1 3 307.482 2.191 20 30 DEEDHO CC(C)CCNC(=[NH2+])NCc1ccccc1OCCN(C)C ZINC000264111772 527721951 /nfs/dbraw/zinc/72/19/51/527721951.db2.gz RBSUFXYVEUIQKX-UHFFFAOYSA-N 1 3 306.454 2.077 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)c1cccs1 ZINC000267376882 529070597 /nfs/dbraw/zinc/07/05/97/529070597.db2.gz ADDNGRQMKQSWQS-CYBMUJFWSA-N 1 3 308.495 2.414 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000267475285 529073143 /nfs/dbraw/zinc/07/31/43/529073143.db2.gz ZECDRWOPJDLHPS-GVDBMIGSSA-N 1 3 300.450 2.006 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001330467970 1149149116 /nfs/dbraw/zinc/14/91/16/1149149116.db2.gz OBWBAKXVAQARRF-GVDBMIGSSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001330467970 1149149130 /nfs/dbraw/zinc/14/91/30/1149149130.db2.gz OBWBAKXVAQARRF-GVDBMIGSSA-N 1 3 319.493 2.264 20 30 DEEDHO C#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001023696940 625392825 /nfs/dbraw/zinc/39/28/25/625392825.db2.gz YZJDZMUUZUVCHC-ROUUACIJSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023696940 625392827 /nfs/dbraw/zinc/39/28/27/625392827.db2.gz YZJDZMUUZUVCHC-ROUUACIJSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001023365187 625239510 /nfs/dbraw/zinc/23/95/10/625239510.db2.gz YZQNNRBEYHUMRO-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001023365187 625239511 /nfs/dbraw/zinc/23/95/11/625239511.db2.gz YZQNNRBEYHUMRO-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518370 634507561 /nfs/dbraw/zinc/50/75/61/634507561.db2.gz RPVOQANVJUGUIN-FGTMMUONSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518370 634507564 /nfs/dbraw/zinc/50/75/64/634507564.db2.gz RPVOQANVJUGUIN-FGTMMUONSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577061 634181277 /nfs/dbraw/zinc/18/12/77/634181277.db2.gz CLYHSVHPZLJNFV-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577061 634181282 /nfs/dbraw/zinc/18/12/82/634181282.db2.gz CLYHSVHPZLJNFV-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000980471748 635013384 /nfs/dbraw/zinc/01/33/84/635013384.db2.gz PDSPWTKKLUKBFD-KRWDZBQOSA-N 1 3 301.434 2.081 20 30 DEEDHO C=CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000980471748 635013385 /nfs/dbraw/zinc/01/33/85/635013385.db2.gz PDSPWTKKLUKBFD-KRWDZBQOSA-N 1 3 301.434 2.081 20 30 DEEDHO 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DEEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001039390074 691095660 /nfs/dbraw/zinc/09/56/60/691095660.db2.gz UCOYFSBLTJVANM-IKGGRYGDSA-N 1 3 307.482 2.214 20 30 DEEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001040735571 691283805 /nfs/dbraw/zinc/28/38/05/691283805.db2.gz SLBHPMQDINLRHJ-KRWDZBQOSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CC[NH+]1CCC2(CCN(C(=O)CN3CCC(C)CC3)C2)CC1 ZINC001040895014 691296020 /nfs/dbraw/zinc/29/60/20/691296020.db2.gz RCCFFJCDZUNMID-UHFFFAOYSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041377351 691369075 /nfs/dbraw/zinc/36/90/75/691369075.db2.gz AZMTZZNESNNCAS-FUHWJXTLSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041377351 691369076 /nfs/dbraw/zinc/36/90/76/691369076.db2.gz AZMTZZNESNNCAS-FUHWJXTLSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCN1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042297553 691560412 /nfs/dbraw/zinc/56/04/12/691560412.db2.gz QMBFOCHVOCYZQS-AEFFLSMTSA-N 1 3 319.493 2.216 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001044630264 691861398 /nfs/dbraw/zinc/86/13/98/691861398.db2.gz UMWRUKKNKJVJOT-KBPBESRZSA-N 1 3 313.873 2.192 20 30 DEEDHO C=CCN1CCC(C)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001045585141 692001246 /nfs/dbraw/zinc/00/12/46/692001246.db2.gz NZJQUVUYFLKXJS-HOTGVXAUSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCN1CCC(C)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001045585141 692001248 /nfs/dbraw/zinc/00/12/48/692001248.db2.gz NZJQUVUYFLKXJS-HOTGVXAUSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001047257888 692403001 /nfs/dbraw/zinc/40/30/01/692403001.db2.gz VOBVDADWIYGUFH-ROUUACIJSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049702241 692969067 /nfs/dbraw/zinc/96/90/67/692969067.db2.gz FXRWSOSMHHCCAJ-YESZJQIVSA-N 1 3 307.482 2.214 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049702241 692969070 /nfs/dbraw/zinc/96/90/70/692969070.db2.gz FXRWSOSMHHCCAJ-YESZJQIVSA-N 1 3 307.482 2.214 20 30 DEEDHO C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049713553 692972571 /nfs/dbraw/zinc/97/25/71/692972571.db2.gz ZGXFRJNHUXBAJC-YESZJQIVSA-N 1 3 307.482 2.214 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049713553 692972575 /nfs/dbraw/zinc/97/25/75/692972575.db2.gz ZGXFRJNHUXBAJC-YESZJQIVSA-N 1 3 307.482 2.214 20 30 DEEDHO C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001052764414 693614899 /nfs/dbraw/zinc/61/48/99/693614899.db2.gz OUTYQYPMJJLDMH-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001052764414 693614901 /nfs/dbraw/zinc/61/49/01/693614901.db2.gz OUTYQYPMJJLDMH-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(Cl)CNC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001382518597 1153461217 /nfs/dbraw/zinc/46/12/17/1153461217.db2.gz FLRLFSXLKSLCDZ-ZIAGYGMSSA-N 1 3 317.905 2.446 20 30 DEEDHO C=C(Cl)CN[C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001400861675 1161836742 /nfs/dbraw/zinc/83/67/42/1161836742.db2.gz XEWJYVSWXGBTDU-CABCVRRESA-N 1 3 315.889 2.486 20 30 DEEDHO C=C(Cl)CN[C@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001400861675 1161836743 /nfs/dbraw/zinc/83/67/43/1161836743.db2.gz XEWJYVSWXGBTDU-CABCVRRESA-N 1 3 315.889 2.486 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001425950116 1174531772 /nfs/dbraw/zinc/53/17/72/1174531772.db2.gz HJTBPZFRSROJKK-UONOGXRCSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)CN(C)C(C)C ZINC001447994567 1185007738 /nfs/dbraw/zinc/00/77/38/1185007738.db2.gz TYVKYFZFBPVJQU-UHFFFAOYSA-N 1 3 303.878 2.153 20 30 DEEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001099199766 782524142 /nfs/dbraw/zinc/52/41/42/782524142.db2.gz QVKGTSOVHWCVDT-HNNXBMFYSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001104319390 777043025 /nfs/dbraw/zinc/04/30/25/777043025.db2.gz RCFIOJKQRKIGHT-ZACQAIPSSA-N 1 3 309.498 2.223 20 30 DEEDHO C=CCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001104362766 777132924 /nfs/dbraw/zinc/13/29/24/777132924.db2.gz IUARLNBQQGTMJC-HZPDHXFCSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(Cl)CNCC1(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001167784878 778546266 /nfs/dbraw/zinc/54/62/66/778546266.db2.gz ZTCLTSHDEYPVEM-UHFFFAOYSA-N 1 3 315.889 2.347 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H]1CC ZINC001087636355 779389274 /nfs/dbraw/zinc/38/92/74/779389274.db2.gz MJEGFLHFNMCVDP-GVDBMIGSSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H]1CC ZINC001087636355 779389279 /nfs/dbraw/zinc/38/92/79/779389279.db2.gz MJEGFLHFNMCVDP-GVDBMIGSSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001087966163 779578275 /nfs/dbraw/zinc/57/82/75/779578275.db2.gz NRIRJJLHEJVLRG-SJORKVTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001087966163 779578278 /nfs/dbraw/zinc/57/82/78/779578278.db2.gz NRIRJJLHEJVLRG-SJORKVTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001088326809 779960791 /nfs/dbraw/zinc/96/07/91/779960791.db2.gz YAYFWMIYGDBHNG-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[NH2+][C@H]1CCCCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001088380909 780048080 /nfs/dbraw/zinc/04/80/80/780048080.db2.gz SDRKJBXKUBDKJX-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H]1C ZINC001088692853 780828485 /nfs/dbraw/zinc/82/84/85/780828485.db2.gz ALIMOFUAMNVCSP-IKGGRYGDSA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H]1C ZINC001088692853 780828491 /nfs/dbraw/zinc/82/84/91/780828491.db2.gz ALIMOFUAMNVCSP-IKGGRYGDSA-N 1 3 307.482 2.262 20 30 DEEDHO CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001089659076 783328737 /nfs/dbraw/zinc/32/87/37/783328737.db2.gz SBJOHQPVDQOINY-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001089659076 783328744 /nfs/dbraw/zinc/32/87/44/783328744.db2.gz SBJOHQPVDQOINY-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC001089659075 783329102 /nfs/dbraw/zinc/32/91/02/783329102.db2.gz SBJOHQPVDQOINY-IAGOWNOFSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC001089659075 783329114 /nfs/dbraw/zinc/32/91/14/783329114.db2.gz SBJOHQPVDQOINY-IAGOWNOFSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCN1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000969001611 784685025 /nfs/dbraw/zinc/68/50/25/784685025.db2.gz CMKACFISMCVEPP-ULQDDVLXSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000969001611 784685030 /nfs/dbraw/zinc/68/50/30/784685030.db2.gz CMKACFISMCVEPP-ULQDDVLXSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[C@H](C)N1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001112979837 786340439 /nfs/dbraw/zinc/34/04/39/786340439.db2.gz IYYJSGASMNRKTA-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[C@H](C)N1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001112979837 786340446 /nfs/dbraw/zinc/34/04/46/786340446.db2.gz IYYJSGASMNRKTA-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCN1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132141215 787945767 /nfs/dbraw/zinc/94/57/67/787945767.db2.gz PRDBQICFLSYNDC-HOTGVXAUSA-N 1 3 316.449 2.063 20 30 DEEDHO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001146584693 791309962 /nfs/dbraw/zinc/30/99/62/791309962.db2.gz UMHKARHWOLRVOH-HOTGVXAUSA-N 1 3 315.461 2.258 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCC(=C)C)CC1 ZINC001146612051 791322368 /nfs/dbraw/zinc/32/23/68/791322368.db2.gz PDHSWMFUUGNLLM-DLBZAZTESA-N 1 3 319.493 2.171 20 30 DEEDHO C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001148840013 791809450 /nfs/dbraw/zinc/80/94/50/791809450.db2.gz XZMCKHPFEZUEPR-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001148840013 791809452 /nfs/dbraw/zinc/80/94/52/791809452.db2.gz XZMCKHPFEZUEPR-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCCC[NH2+]C1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001100681409 792785501 /nfs/dbraw/zinc/78/55/01/792785501.db2.gz IDJNRLLIYPDLRP-UHFFFAOYSA-N 1 3 309.498 2.415 20 30 DEEDHO C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001171501256 793114876 /nfs/dbraw/zinc/11/48/76/793114876.db2.gz QRWFCKKGGGACSG-UONOGXRCSA-N 1 3 303.878 2.344 20 30 DEEDHO C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](CC)N(C)C ZINC001177348158 794651793 /nfs/dbraw/zinc/65/17/93/794651793.db2.gz APCULVPSQUNBNS-GOSISDBHSA-N 1 3 321.509 2.348 20 30 DEEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+]CC2CC2)CC1 ZINC001180361278 795278648 /nfs/dbraw/zinc/27/86/48/795278648.db2.gz WRRZSYWTSBOALC-UHFFFAOYSA-N 1 3 319.493 2.008 20 30 DEEDHO C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001120470997 795467393 /nfs/dbraw/zinc/46/73/93/795467393.db2.gz VEPGDOZPGAOTPK-ROUUACIJSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001120470997 795467395 /nfs/dbraw/zinc/46/73/95/795467395.db2.gz VEPGDOZPGAOTPK-ROUUACIJSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CCCC[NH2+]C1CC2(CC(NC(=O)CN(C)CCC)C2)C1 ZINC001122106527 795726139 /nfs/dbraw/zinc/72/61/39/795726139.db2.gz LDCARUYTUKQUHD-UHFFFAOYSA-N 1 3 307.482 2.311 20 30 DEEDHO CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192560492 797406797 /nfs/dbraw/zinc/40/67/97/797406797.db2.gz QBADXMQTZZCRQO-INIZCTEOSA-N 1 3 306.454 2.455 20 30 DEEDHO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192560492 797406802 /nfs/dbraw/zinc/40/68/02/797406802.db2.gz QBADXMQTZZCRQO-INIZCTEOSA-N 1 3 306.454 2.455 20 30 DEEDHO C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001194265252 797702192 /nfs/dbraw/zinc/70/21/92/797702192.db2.gz COLPZFQJJBOCAK-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001194265252 797702195 /nfs/dbraw/zinc/70/21/95/797702195.db2.gz COLPZFQJJBOCAK-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCCN1CCCC ZINC001156305732 797970875 /nfs/dbraw/zinc/97/08/75/797970875.db2.gz GLYZYGQBNHKFAB-MSOLQXFVSA-N 1 3 321.509 2.491 20 30 DEEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCCN1CCCC ZINC001156305732 797970878 /nfs/dbraw/zinc/97/08/78/797970878.db2.gz GLYZYGQBNHKFAB-MSOLQXFVSA-N 1 3 321.509 2.491 20 30 DEEDHO C#CCN(CC)[C@H](C)CNC(=O)CCC[NH+](CCC)CCC ZINC001156319176 797973300 /nfs/dbraw/zinc/97/33/00/797973300.db2.gz PJSGTKQGVKODLH-QGZVFWFLSA-N 1 3 309.498 2.348 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)C[C@@H](C)CC)CC1 ZINC001157092051 798142453 /nfs/dbraw/zinc/14/24/53/798142453.db2.gz HRLPQWWUDZJJFW-DLBZAZTESA-N 1 3 321.509 2.204 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](C)CC)CC1 ZINC001157092051 798142455 /nfs/dbraw/zinc/14/24/55/798142455.db2.gz HRLPQWWUDZJJFW-DLBZAZTESA-N 1 3 321.509 2.204 20 30 DEEDHO C=CCN1CC=C(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161699554 798915523 /nfs/dbraw/zinc/91/55/23/798915523.db2.gz UGNIEHAAOGOFFJ-ROUUACIJSA-N 1 3 319.493 2.431 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001202495988 798985623 /nfs/dbraw/zinc/98/56/23/798985623.db2.gz LWSIHAWKMMXABN-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114413637 799094932 /nfs/dbraw/zinc/09/49/32/799094932.db2.gz DCKKBRNURRQGRC-DZFIZOCASA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114413637 799094939 /nfs/dbraw/zinc/09/49/39/799094939.db2.gz DCKKBRNURRQGRC-DZFIZOCASA-N 1 3 319.493 2.264 20 30 DEEDHO C#CCC[NH2+]CC1(CCNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001164537000 799619421 /nfs/dbraw/zinc/61/94/21/799619421.db2.gz ZIWKAOLFOJSBNM-UHFFFAOYSA-N 1 3 319.493 2.150 20 30 DEEDHO C#CC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CCCCCC)C12CCC2 ZINC001203508294 800064219 /nfs/dbraw/zinc/06/42/19/800064219.db2.gz XKZDKLCXSHCYJT-DLBZAZTESA-N 1 3 319.493 2.149 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203792091 800123416 /nfs/dbraw/zinc/12/34/16/800123416.db2.gz NGVYTOMOQOPEDM-KGLIPLIRSA-N 1 3 313.873 2.096 20 30 DEEDHO C=CCOC(=O)N1CC2(C1)CCN(CC(C)(C)C[NH+](C)C)CC2 ZINC001207275410 800721357 /nfs/dbraw/zinc/72/13/57/800721357.db2.gz NJHJTTJVYJARFB-UHFFFAOYSA-N 1 3 323.481 2.295 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230629271 801440984 /nfs/dbraw/zinc/44/09/84/801440984.db2.gz NDEZETUKVMUOTI-KRWDZBQOSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230629271 801440988 /nfs/dbraw/zinc/44/09/88/801440988.db2.gz NDEZETUKVMUOTI-KRWDZBQOSA-N 1 3 307.482 2.216 20 30 DEEDHO N#Cc1c2ccccc2sc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218649091 802220952 /nfs/dbraw/zinc/22/09/52/802220952.db2.gz QIVDJAFAPCTBRH-AWEZNQCLSA-N 1 3 314.414 2.038 20 30 DEEDHO C=CCCCCC[C@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001221398402 802566758 /nfs/dbraw/zinc/56/67/58/802566758.db2.gz YUUWLINHXCRHNQ-ROUUACIJSA-N 1 3 315.461 2.281 20 30 DEEDHO CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCCN1C(C)C ZINC001228932522 803433161 /nfs/dbraw/zinc/43/31/61/803433161.db2.gz PFESNYOLAMOUQC-KURKYZTESA-N 1 3 319.493 2.290 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001420087183 1169152815 /nfs/dbraw/zinc/15/28/15/1169152815.db2.gz MILIVWVNDDPYRM-DZGCQCFKSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001501143060 1059326247 /nfs/dbraw/zinc/32/62/47/1059326247.db2.gz IPAAOSZSXVLKDV-MSOLQXFVSA-N 1 3 321.509 2.369 20 30 DEEDHO C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001479985466 1062146932 /nfs/dbraw/zinc/14/69/32/1062146932.db2.gz PIDKWIWTYKRYNX-HZPDHXFCSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)CCC)CC1 ZINC001479986054 1062149229 /nfs/dbraw/zinc/14/92/29/1062149229.db2.gz CFDIURQADFGQRB-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001480190346 1062443315 /nfs/dbraw/zinc/44/33/15/1062443315.db2.gz ZVJBHTKUQNHSTF-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001507326534 1063101500 /nfs/dbraw/zinc/10/15/00/1063101500.db2.gz VDYKPEXRQBPZOA-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001480728817 1063256380 /nfs/dbraw/zinc/25/63/80/1063256380.db2.gz ANMCCTSSAKVOLS-QGZVFWFLSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001480728817 1063256397 /nfs/dbraw/zinc/25/63/97/1063256397.db2.gz ANMCCTSSAKVOLS-QGZVFWFLSA-N 1 3 307.482 2.360 20 30 DEEDHO CC#CCN1CC[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001493222081 1063646694 /nfs/dbraw/zinc/64/66/94/1063646694.db2.gz DHLHADDJEFNHPU-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CCN1CC[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001493222081 1063646701 /nfs/dbraw/zinc/64/67/01/1063646701.db2.gz DHLHADDJEFNHPU-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN(C)CC(C)(C)C ZINC001568535573 1064946626 /nfs/dbraw/zinc/94/66/26/1064946626.db2.gz FQRVDRHVOACOAB-CVEARBPZSA-N 1 3 309.498 2.415 20 30 DEEDHO C=CCCCN1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001569386856 1065484656 /nfs/dbraw/zinc/48/46/56/1065484656.db2.gz WZDXBBSGTCDAPE-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001570544293 1067997177 /nfs/dbraw/zinc/99/71/77/1067997177.db2.gz UFGNYADXIFYEMP-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001570544293 1067997182 /nfs/dbraw/zinc/99/71/82/1067997182.db2.gz UFGNYADXIFYEMP-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCN(C)CCN(CC)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001640016137 1078637876 /nfs/dbraw/zinc/63/78/76/1078637876.db2.gz QRPKIYGAKMDXDU-UHFFFAOYSA-N 1 3 309.498 2.465 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1CC ZINC001566027645 1075218358 /nfs/dbraw/zinc/21/83/58/1075218358.db2.gz SPTIZKAVORITNM-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001566122343 1075231729 /nfs/dbraw/zinc/23/17/29/1075231729.db2.gz UKZPGSOKADCMDC-YESZJQIVSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001566122343 1075231732 /nfs/dbraw/zinc/23/17/32/1075231732.db2.gz UKZPGSOKADCMDC-YESZJQIVSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001485237711 1080083448 /nfs/dbraw/zinc/08/34/48/1080083448.db2.gz UKZBEODZSMCNHF-JCYILVPMSA-N 1 3 307.482 2.406 20 30 DEEDHO C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCCN1C(C)C)C(C)C 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ZINC001493163227 1093279104 /nfs/dbraw/zinc/27/91/04/1093279104.db2.gz UDRXZVDKGINXNZ-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001281974662 1139831913 /nfs/dbraw/zinc/83/19/13/1139831913.db2.gz GKJPHYYOIJTEOG-MSOLQXFVSA-N 1 3 321.509 2.465 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001281974662 1139831917 /nfs/dbraw/zinc/83/19/17/1139831917.db2.gz GKJPHYYOIJTEOG-MSOLQXFVSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001319394159 1140561947 /nfs/dbraw/zinc/56/19/47/1140561947.db2.gz CGKCWWAMYIHVOR-SJORKVTESA-N 1 3 319.493 2.360 20 30 DEEDHO CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C(C)(C)N1CCCC1 ZINC001319620054 1140626885 /nfs/dbraw/zinc/62/68/85/1140626885.db2.gz FFFWRGKBCPXDPV-MRXNPFEDSA-N 1 3 307.482 2.005 20 30 DEEDHO C=CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1CCCCC1 ZINC001319661622 1140648160 /nfs/dbraw/zinc/64/81/60/1140648160.db2.gz 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C=CCC[C@@H](O)CN1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001252597114 1142779991 /nfs/dbraw/zinc/77/99/91/1142779991.db2.gz WVODKYQCZKWRJI-QZTJIDSGSA-N 1 3 310.482 2.136 20 30 DEEDHO CN1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254635632 1143290338 /nfs/dbraw/zinc/29/03/38/1143290338.db2.gz HFZCWYBDOKLHLS-VQIMIIECSA-N 1 3 312.461 2.216 20 30 DEEDHO C=CCN1C(=O)CCC12CCN([C@@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254857015 1143341019 /nfs/dbraw/zinc/34/10/19/1143341019.db2.gz NAZKICWORCBUOF-QGZVFWFLSA-N 1 3 317.477 2.114 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCCCCCC1CC[NH2+]CC1 ZINC001342545478 1143823103 /nfs/dbraw/zinc/82/31/03/1143823103.db2.gz VNVQWCXXJZBJHZ-AWEZNQCLSA-N 1 3 301.862 2.133 20 30 DEEDHO C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCN1C(C)C)C(C)(C)C ZINC001278963066 1143866504 /nfs/dbraw/zinc/86/65/04/1143866504.db2.gz WHLYRHWQKWFQOT-HZPDHXFCSA-N 1 3 307.482 2.003 20 30 DEEDHO C=CCCC[C@@H]([NH3+])C(=O)Nc1cc(CN(C)C)ccc1OC ZINC001263096199 1144355643 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DEEDHO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266116929 1144807294 /nfs/dbraw/zinc/80/72/94/1144807294.db2.gz OXABMKFHFMSOBZ-IRXDYDNUSA-N 1 3 309.498 2.462 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001266198006 1144813200 /nfs/dbraw/zinc/81/32/00/1144813200.db2.gz VEZDGYSBHOSCPI-UHFFFAOYSA-N 1 3 307.482 2.361 20 30 DEEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)C2 ZINC001279228666 1144819533 /nfs/dbraw/zinc/81/95/33/1144819533.db2.gz BUIGCACPPIEEQW-YVSFHVDLSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)C2 ZINC001279228666 1144819534 /nfs/dbraw/zinc/81/95/34/1144819534.db2.gz BUIGCACPPIEEQW-YVSFHVDLSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CC[NH2+]CCN(Cc1ccccc1)C(=O)CN1CC[C@@H](C)C1 ZINC001279318795 1144820740 /nfs/dbraw/zinc/82/07/40/1144820740.db2.gz QPBVCZFXSPYPIC-QGZVFWFLSA-N 1 3 315.461 2.133 20 30 DEEDHO C=CCCCN1CC[C@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001316598857 1144828160 /nfs/dbraw/zinc/82/81/60/1144828160.db2.gz KDFGYAIQGHKHJX-INIZCTEOSA-N 1 3 305.466 2.114 20 30 DEEDHO C=CCOc1cccc(C[NH2+]C[C@@H](C)N2CCN(CC)CC2)c1 ZINC001308198965 1147455179 /nfs/dbraw/zinc/45/51/79/1147455179.db2.gz FXGRRXRHZRXOBN-QGZVFWFLSA-N 1 3 317.477 2.367 20 30 DEEDHO C#CCC[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)CC(C)(C)C1 ZINC001316809403 1147603965 /nfs/dbraw/zinc/60/39/65/1147603965.db2.gz BRWPWCSDFMCHIA-INIZCTEOSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)CC(C)(C)C1 ZINC001316809403 1147603967 /nfs/dbraw/zinc/60/39/67/1147603967.db2.gz BRWPWCSDFMCHIA-INIZCTEOSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCCC[NH+]1CCC(N(C)C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001316935661 1147634665 /nfs/dbraw/zinc/63/46/65/1147634665.db2.gz NTDVAMHJWRJHJK-KRWDZBQOSA-N 1 3 309.498 2.462 20 30 DEEDHO C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001317045501 1147652491 /nfs/dbraw/zinc/65/24/91/1147652491.db2.gz QXWGCWLTBLULRD-MSOLQXFVSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001317045501 1147652493 /nfs/dbraw/zinc/65/24/93/1147652493.db2.gz QXWGCWLTBLULRD-MSOLQXFVSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)CN1CC[C@H](C)C1 ZINC001317436462 1147708108 /nfs/dbraw/zinc/70/81/08/1147708108.db2.gz RMJNJFOURLMNKA-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)CN1CC[C@H](C)C1 ZINC001317436462 1147708109 /nfs/dbraw/zinc/70/81/09/1147708109.db2.gz RMJNJFOURLMNKA-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001317862094 1147758845 /nfs/dbraw/zinc/75/88/45/1147758845.db2.gz GMCLROWOVRZVQC-IRXDYDNUSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001317862094 1147758848 /nfs/dbraw/zinc/75/88/48/1147758848.db2.gz GMCLROWOVRZVQC-IRXDYDNUSA-N 1 3 307.482 2.217 20 30 DEEDHO CN(C)CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181392701 199289850 /nfs/dbraw/zinc/28/98/50/199289850.db2.gz GAGADUIIINLJJS-UHFFFAOYSA-N 1 3 300.450 2.064 20 30 DEEDHO N#CC[C@@H]1CCCN(CCOCC[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595620392 358504395 /nfs/dbraw/zinc/50/43/95/358504395.db2.gz NBECQWXKIXTPJG-ROUUACIJSA-N 1 3 318.465 2.254 20 30 DEEDHO N#CC[C@@H]1CCCN(CCOCC[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595620392 358504397 /nfs/dbraw/zinc/50/43/97/358504397.db2.gz NBECQWXKIXTPJG-ROUUACIJSA-N 1 3 318.465 2.254 20 30 DEEDHO CCN1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180060185 199112665 /nfs/dbraw/zinc/11/26/65/199112665.db2.gz ZZLDXSYMOSVZOY-MRXNPFEDSA-N 1 3 323.444 2.390 20 30 DEEDHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000597925871 359044280 /nfs/dbraw/zinc/04/42/80/359044280.db2.gz XMYOYZGIQWGKJQ-SJORKVTESA-N 1 3 324.428 2.230 20 30 DEEDHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000597925871 359044285 /nfs/dbraw/zinc/04/42/85/359044285.db2.gz XMYOYZGIQWGKJQ-SJORKVTESA-N 1 3 324.428 2.230 20 30 DEEDHO CN1CCN(CC2(C)CC[NH+](CC3(CC#N)CC3)CC2)CC1 ZINC000602810998 360567401 /nfs/dbraw/zinc/56/74/01/360567401.db2.gz VKRFYRKPCHQAIV-UHFFFAOYSA-N 1 3 304.482 2.030 20 30 DEEDHO C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001422439605 1172592376 /nfs/dbraw/zinc/59/23/76/1172592376.db2.gz KKNZVMLXUJTMCG-UHFFFAOYSA-N 1 3 315.889 2.297 20 30 DEEDHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(C#N)n(C)c2)[C@@H](C)C1 ZINC000249659095 145188589 /nfs/dbraw/zinc/18/85/89/145188589.db2.gz VRKIPKLVRNXTHP-YJBOKZPZSA-N 1 3 318.465 2.123 20 30 DEEDHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(C#N)c(F)c1 ZINC000346182839 146032705 /nfs/dbraw/zinc/03/27/05/146032705.db2.gz JOCYVQSPUSAIRV-AWEZNQCLSA-N 1 3 318.440 2.374 20 30 DEEDHO C=CCC(CC=C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000128557439 401782632 /nfs/dbraw/zinc/78/26/32/401782632.db2.gz RDDYDJHHTHNIDC-UHFFFAOYSA-N 1 3 319.493 2.430 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCc1ccc(OC)cc1 ZINC000104176829 402199763 /nfs/dbraw/zinc/19/97/63/402199763.db2.gz JSJJKDCOGUQUNH-INIZCTEOSA-N 1 3 318.465 2.016 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000106275428 402212728 /nfs/dbraw/zinc/21/27/28/402212728.db2.gz QQZMKRQWXAXCRX-UHFFFAOYSA-N 1 3 322.497 2.010 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1OC(C)C ZINC000170910896 402540519 /nfs/dbraw/zinc/54/05/19/402540519.db2.gz WXWSMFWAOSKYBT-INIZCTEOSA-N 1 3 318.465 2.362 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2ccccc2)C1 ZINC000280489976 403005323 /nfs/dbraw/zinc/00/53/23/403005323.db2.gz BKZQHPWUEARQQL-BRWVUGGUSA-N 1 3 300.450 2.321 20 30 DEEDHO C=CCN1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000361768053 403853663 /nfs/dbraw/zinc/85/36/63/403853663.db2.gz YEQKLRWTRKHEKQ-NVXWUHKLSA-N 1 3 322.497 2.151 20 30 DEEDHO C=CCN1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000361768053 403853665 /nfs/dbraw/zinc/85/36/65/403853665.db2.gz YEQKLRWTRKHEKQ-NVXWUHKLSA-N 1 3 322.497 2.151 20 30 DEEDHO C=CCOCCC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000348047938 404022259 /nfs/dbraw/zinc/02/22/59/404022259.db2.gz LWQGGYRAOGDSSJ-IRXDYDNUSA-N 1 3 310.482 2.400 20 30 DEEDHO C[N@H+](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000349665367 404172778 /nfs/dbraw/zinc/17/27/78/404172778.db2.gz IOCPAKOUYGRXED-KRWDZBQOSA-N 1 3 324.428 2.231 20 30 DEEDHO C[N@@H+](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000349665367 404172786 /nfs/dbraw/zinc/17/27/86/404172786.db2.gz IOCPAKOUYGRXED-KRWDZBQOSA-N 1 3 324.428 2.231 20 30 DEEDHO C=CCN1CCC(NC(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000358243814 404757456 /nfs/dbraw/zinc/75/74/56/404757456.db2.gz YUNBBASFZKQJSV-UHFFFAOYSA-N 1 3 322.497 2.058 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000358790756 404775485 /nfs/dbraw/zinc/77/54/85/404775485.db2.gz ZFROVFNFDJTXLF-MRXNPFEDSA-N 1 3 322.497 2.058 20 30 DEEDHO C=CC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000494562829 405719079 /nfs/dbraw/zinc/71/90/79/405719079.db2.gz RKDOXYGGDSLIQR-UHFFFAOYSA-N 1 3 315.461 2.133 20 30 DEEDHO C=CCN1CCC(NC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457540229 405889744 /nfs/dbraw/zinc/88/97/44/405889744.db2.gz IWKRFDRGMZMFJK-UHFFFAOYSA-N 1 3 305.466 2.018 20 30 DEEDHO C#C[C@@H](CCC)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000491694247 406672160 /nfs/dbraw/zinc/67/21/60/406672160.db2.gz ANXACCDTZNTFFZ-KRWDZBQOSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCC[NH2+]CC1)C(C)C ZINC000653110660 425407869 /nfs/dbraw/zinc/40/78/69/425407869.db2.gz PZMRQDIWECJCIR-DLBZAZTESA-N 1 3 307.482 2.191 20 30 DEEDHO CN1CCN(CC[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1(C)C ZINC000353631830 277106582 /nfs/dbraw/zinc/10/65/82/277106582.db2.gz JHOIIIQFDKODHO-SFHVURJKSA-N 1 3 312.461 2.161 20 30 DEEDHO CC#CC[NH2+][C@H](CCN(C)C(=O)CN(C)CC(C)(C)C)C(C)C ZINC001329761028 1148989584 /nfs/dbraw/zinc/98/95/84/1148989584.db2.gz KFRGDOKNKIYMHQ-QGZVFWFLSA-N 1 3 323.525 2.450 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]C1)C(C)C ZINC000236669199 337464233 /nfs/dbraw/zinc/46/42/33/337464233.db2.gz ZJCWNDAESHKONM-FUHWJXTLSA-N 1 3 307.482 2.191 20 30 DEEDHO C[NH+]=C(NCc1scnc1C)N1CC[C@@H](N2CCCCC2)C1 ZINC000262423341 526393314 /nfs/dbraw/zinc/39/33/14/526393314.db2.gz BTXSKHFBTHBEQT-CQSZACIVSA-N 1 3 321.494 2.087 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000358790754 526434205 /nfs/dbraw/zinc/43/42/05/526434205.db2.gz ZFROVFNFDJTXLF-INIZCTEOSA-N 1 3 322.497 2.058 20 30 DEEDHO C#CC[NH2+]C1CCC(NC(=O)[C@H]2CCCCN2CCCC)CC1 ZINC001026591072 625548214 /nfs/dbraw/zinc/54/82/14/625548214.db2.gz OEEFCYCMWXUUAJ-DAWZGUTISA-N 1 3 319.493 2.291 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021605249 623822001 /nfs/dbraw/zinc/82/20/01/623822001.db2.gz LXDSXVIIONAWCT-SJLPKXTDSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021605249 623822015 /nfs/dbraw/zinc/82/20/15/623822015.db2.gz LXDSXVIIONAWCT-SJLPKXTDSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000971681708 624503209 /nfs/dbraw/zinc/50/32/09/624503209.db2.gz FSGLSUVSJWPXBM-SJORKVTESA-N 1 3 305.466 2.112 20 30 DEEDHO C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000971681708 624503211 /nfs/dbraw/zinc/50/32/11/624503211.db2.gz FSGLSUVSJWPXBM-SJORKVTESA-N 1 3 305.466 2.112 20 30 DEEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001024468094 625794515 /nfs/dbraw/zinc/79/45/15/625794515.db2.gz IFPGOLUJEMSDPP-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001024468094 625794521 /nfs/dbraw/zinc/79/45/21/625794521.db2.gz IFPGOLUJEMSDPP-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001028088488 635458339 /nfs/dbraw/zinc/45/83/39/635458339.db2.gz JQKVZUFLVWFIPW-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001028088488 635458346 /nfs/dbraw/zinc/45/83/46/635458346.db2.gz JQKVZUFLVWFIPW-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001028088487 635458809 /nfs/dbraw/zinc/45/88/09/635458809.db2.gz JQKVZUFLVWFIPW-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001028088487 635458811 /nfs/dbraw/zinc/45/88/11/635458811.db2.gz JQKVZUFLVWFIPW-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001001392464 635475871 /nfs/dbraw/zinc/47/58/71/635475871.db2.gz KSAUKNSPSAJEQH-KRWDZBQOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982557169 636264439 /nfs/dbraw/zinc/26/44/39/636264439.db2.gz MYWVGSZFGRMCRH-QRQLOZEOSA-N 1 3 319.493 2.075 20 30 DEEDHO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982557169 636264442 /nfs/dbraw/zinc/26/44/42/636264442.db2.gz MYWVGSZFGRMCRH-QRQLOZEOSA-N 1 3 319.493 2.075 20 30 DEEDHO C=C(C)CN1CCC(NC(NCC2CCSCC2)=[NH+]C)CC1 ZINC000086902004 636984465 /nfs/dbraw/zinc/98/44/65/636984465.db2.gz LMARHLKPJOKHIO-UHFFFAOYSA-N 1 3 324.538 2.335 20 30 DEEDHO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](CC[NH3+])C1 ZINC000923487091 637201699 /nfs/dbraw/zinc/20/16/99/637201699.db2.gz WSMUAZYVZADKST-LSDHHAIUSA-N 1 3 321.490 2.322 20 30 DEEDHO C=CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC000987553393 640219372 /nfs/dbraw/zinc/21/93/72/640219372.db2.gz UORVBRRPQMITOX-RHSMWYFYSA-N 1 3 301.434 2.127 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000764565893 640655459 /nfs/dbraw/zinc/65/54/59/640655459.db2.gz OJVZUGOTJWYZHA-KRWDZBQOSA-N 1 3 315.461 2.227 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCC)[C@H]2C)CC1 ZINC000994491907 647970007 /nfs/dbraw/zinc/97/00/07/647970007.db2.gz AMQALEATFFVNDS-FUHWJXTLSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCC)[C@H]2C)CC1 ZINC000994491907 647970008 /nfs/dbraw/zinc/97/00/08/647970008.db2.gz AMQALEATFFVNDS-FUHWJXTLSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947881709 648509743 /nfs/dbraw/zinc/50/97/43/648509743.db2.gz HNKLHESVMFLYFD-AEFFLSMTSA-N 1 3 319.493 2.099 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001390607983 1155813397 /nfs/dbraw/zinc/81/33/97/1155813397.db2.gz HNMBJEHLJZNVGE-KBPBESRZSA-N 1 3 313.873 2.240 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1cccc(C)c1 ZINC000304792562 685262225 /nfs/dbraw/zinc/26/22/25/685262225.db2.gz LCKWDTWOJWNUNG-HOTGVXAUSA-N 1 3 318.465 2.151 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)c1ccccc1F ZINC000104191030 684059188 /nfs/dbraw/zinc/05/91/88/684059188.db2.gz XQXYLYZXCVSJKR-AWEZNQCLSA-N 1 3 320.456 2.492 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054143950 693860635 /nfs/dbraw/zinc/86/06/35/693860635.db2.gz MSRJETIHSBNMOV-SFHVURJKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054143950 693860638 /nfs/dbraw/zinc/86/06/38/693860638.db2.gz MSRJETIHSBNMOV-SFHVURJKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001054245495 693898174 /nfs/dbraw/zinc/89/81/74/693898174.db2.gz UFFCCLLPDIAFFI-MJGOQNOKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001054245495 693898181 /nfs/dbraw/zinc/89/81/81/693898181.db2.gz UFFCCLLPDIAFFI-MJGOQNOKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001015796657 687425222 /nfs/dbraw/zinc/42/52/22/687425222.db2.gz ZGCDGJGOBLLKTD-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001015796657 687425226 /nfs/dbraw/zinc/42/52/26/687425226.db2.gz ZGCDGJGOBLLKTD-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001016618218 687666054 /nfs/dbraw/zinc/66/60/54/687666054.db2.gz QUBVPJIYPULHBN-JKSUJKDBSA-N 1 3 305.466 2.016 20 30 DEEDHO C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001016761544 687697835 /nfs/dbraw/zinc/69/78/35/687697835.db2.gz MPVSCYQJWFUVQJ-MRXNPFEDSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000783 688547919 /nfs/dbraw/zinc/54/79/19/688547919.db2.gz JMQNXIYTDMEUBZ-INIZCTEOSA-N 1 3 315.461 2.376 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000783 688547924 /nfs/dbraw/zinc/54/79/24/688547924.db2.gz JMQNXIYTDMEUBZ-INIZCTEOSA-N 1 3 315.461 2.376 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001033470629 689513823 /nfs/dbraw/zinc/51/38/23/689513823.db2.gz BRKLBMWWDWXZBZ-DLBZAZTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001033470629 689513826 /nfs/dbraw/zinc/51/38/26/689513826.db2.gz BRKLBMWWDWXZBZ-DLBZAZTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033856720 689640967 /nfs/dbraw/zinc/64/09/67/689640967.db2.gz VYNAYYOAMGYKDU-QZTJIDSGSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033856720 689640968 /nfs/dbraw/zinc/64/09/68/689640968.db2.gz VYNAYYOAMGYKDU-QZTJIDSGSA-N 1 3 321.509 2.463 20 30 DEEDHO C#CCCN1CC[C@@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034006314 689689882 /nfs/dbraw/zinc/68/98/82/689689882.db2.gz ZTYAACCBQFOFPL-GOSISDBHSA-N 1 3 319.493 2.053 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000876714103 689912260 /nfs/dbraw/zinc/91/22/60/689912260.db2.gz WQAIQSHPWCRWOG-ZDUSSCGKSA-N 1 3 301.862 2.227 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000876763172 689929695 /nfs/dbraw/zinc/92/96/95/689929695.db2.gz IOMISWWRTXLYKX-ZFWWWQNUSA-N 1 3 309.841 2.093 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000876763172 689929698 /nfs/dbraw/zinc/92/96/98/689929698.db2.gz IOMISWWRTXLYKX-ZFWWWQNUSA-N 1 3 309.841 2.093 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000876769664 689931689 /nfs/dbraw/zinc/93/16/89/689931689.db2.gz XGLYBJXVVKRWCA-HZPDHXFCSA-N 1 3 321.852 2.237 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000876769664 689931693 /nfs/dbraw/zinc/93/16/93/689931693.db2.gz XGLYBJXVVKRWCA-HZPDHXFCSA-N 1 3 321.852 2.237 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1CC ZINC001037863344 690626533 /nfs/dbraw/zinc/62/65/33/690626533.db2.gz XUHHGXADARLEHO-DOTOQJQBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001038343275 690788843 /nfs/dbraw/zinc/78/88/43/690788843.db2.gz YOIYEDDKBLVAGI-SJORKVTESA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001038343275 690788847 /nfs/dbraw/zinc/78/88/47/690788847.db2.gz YOIYEDDKBLVAGI-SJORKVTESA-N 1 3 307.482 2.121 20 30 DEEDHO C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)C1CCC1 ZINC001039288618 691075644 /nfs/dbraw/zinc/07/56/44/691075644.db2.gz CDFVCGBYVONUBK-ZXFUBFMLSA-N 1 3 305.466 2.158 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241537 691219587 /nfs/dbraw/zinc/21/95/87/691219587.db2.gz OWKBRWLNCKSQQW-LJQANCHMSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241537 691219591 /nfs/dbraw/zinc/21/95/91/691219591.db2.gz OWKBRWLNCKSQQW-LJQANCHMSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040395892 691242173 /nfs/dbraw/zinc/24/21/73/691242173.db2.gz RCFWFNRYSRUTHN-PKOBYXMFSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040395892 691242176 /nfs/dbraw/zinc/24/21/76/691242176.db2.gz RCFWFNRYSRUTHN-PKOBYXMFSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001041403271 691371741 /nfs/dbraw/zinc/37/17/41/691371741.db2.gz OFHOHJKSVQOSKG-AEFFLSMTSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001041403271 691371742 /nfs/dbraw/zinc/37/17/42/691371742.db2.gz OFHOHJKSVQOSKG-AEFFLSMTSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H](C)C1 ZINC001044741687 691880913 /nfs/dbraw/zinc/88/09/13/691880913.db2.gz CMLWAZOLJQSUKR-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO CC#CCN1CCC(C)(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001045531479 691993336 /nfs/dbraw/zinc/99/33/36/691993336.db2.gz KCCAUXYHOCFSGT-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CCN1CCC(C)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001045531479 691993339 /nfs/dbraw/zinc/99/33/39/691993339.db2.gz KCCAUXYHOCFSGT-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001045945000 692059423 /nfs/dbraw/zinc/05/94/23/692059423.db2.gz LTMPZCGGGNRMOA-HKUYNNGSSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001045945000 692059425 /nfs/dbraw/zinc/05/94/25/692059425.db2.gz LTMPZCGGGNRMOA-HKUYNNGSSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049819749 693011569 /nfs/dbraw/zinc/01/15/69/693011569.db2.gz HUNDVRRMSWSNPV-MSOLQXFVSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CC[NH+]1CCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)CC1 ZINC001050519092 693199560 /nfs/dbraw/zinc/19/95/60/693199560.db2.gz OLDUYVJLDCEFOA-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001050561466 693207123 /nfs/dbraw/zinc/20/71/23/693207123.db2.gz UEBZAXVKBNOCQV-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)CC1 ZINC001050686865 693232205 /nfs/dbraw/zinc/23/22/05/693232205.db2.gz FNLMVVUQODQCDD-KRWDZBQOSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001052427167 693532196 /nfs/dbraw/zinc/53/21/96/693532196.db2.gz WNBXSBUUIDAXRR-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001052427167 693532201 /nfs/dbraw/zinc/53/22/01/693532201.db2.gz WNBXSBUUIDAXRR-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052712002 693601084 /nfs/dbraw/zinc/60/10/84/693601084.db2.gz CMGDDFGBVSDTFZ-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052712002 693601085 /nfs/dbraw/zinc/60/10/85/693601085.db2.gz CMGDDFGBVSDTFZ-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001357582472 1152315259 /nfs/dbraw/zinc/31/52/59/1152315259.db2.gz WTHVJRQTTYAEMX-BHYGNILZSA-N 1 3 305.466 2.145 20 30 DEEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001357582472 1152315263 /nfs/dbraw/zinc/31/52/63/1152315263.db2.gz WTHVJRQTTYAEMX-BHYGNILZSA-N 1 3 305.466 2.145 20 30 DEEDHO C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H](CC)N(C)C ZINC001377973103 1160888183 /nfs/dbraw/zinc/88/81/83/1160888183.db2.gz SHXFPSJKFFIHRD-ZDUSSCGKSA-N 1 3 303.878 2.153 20 30 DEEDHO C=C(Cl)C[NH2+][C@H](CCNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001441412788 1181982192 /nfs/dbraw/zinc/98/21/92/1181982192.db2.gz CHZDEENHMGDYSK-DZGCQCFKSA-N 1 3 315.889 2.201 20 30 DEEDHO C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2CC)CC(C)(C)C1 ZINC001089565436 783213074 /nfs/dbraw/zinc/21/30/74/783213074.db2.gz SAYXSWKIZWXQGE-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2CC)CC(C)(C)C1 ZINC001089565436 783213082 /nfs/dbraw/zinc/21/30/82/783213082.db2.gz SAYXSWKIZWXQGE-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CC[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167233005 776786778 /nfs/dbraw/zinc/78/67/78/776786778.db2.gz XSVMFQZUPINEKB-INIZCTEOSA-N 1 3 307.482 2.171 20 30 DEEDHO C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104287848 776898608 /nfs/dbraw/zinc/89/86/08/776898608.db2.gz MYHAAGMOUBTHTF-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104683316 778020943 /nfs/dbraw/zinc/02/09/43/778020943.db2.gz KABCMANTSQGEOC-IAGOWNOFSA-N 1 3 321.509 2.369 20 30 DEEDHO C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112535786 779186347 /nfs/dbraw/zinc/18/63/47/779186347.db2.gz AJPZZQDKIVYJIU-YJBOKZPZSA-N 1 3 316.449 2.137 20 30 DEEDHO C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076324442 781218128 /nfs/dbraw/zinc/21/81/28/781218128.db2.gz SOXRBXRHHMOCCS-OKZBNKHCSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N1CCCCCC1 ZINC001085352427 783648877 /nfs/dbraw/zinc/64/88/77/783648877.db2.gz GVJGTBXWGVBBKA-GVDBMIGSSA-N 1 3 307.482 2.454 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967205553 783905853 /nfs/dbraw/zinc/90/58/53/783905853.db2.gz LFRSVFKDCAHSSE-IRXDYDNUSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967205553 783905859 /nfs/dbraw/zinc/90/58/59/783905859.db2.gz LFRSVFKDCAHSSE-IRXDYDNUSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001085855965 784151083 /nfs/dbraw/zinc/15/10/83/784151083.db2.gz NPUQJYAPALYDOE-SJORKVTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001085855965 784151090 /nfs/dbraw/zinc/15/10/90/784151090.db2.gz NPUQJYAPALYDOE-SJORKVTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968378116 784339156 /nfs/dbraw/zinc/33/91/56/784339156.db2.gz NTOWEZJNUAOCIV-WBVHZDCISA-N 1 3 307.482 2.121 20 30 DEEDHO C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CC(C)(C)C)C2 ZINC001108764316 785531633 /nfs/dbraw/zinc/53/16/33/785531633.db2.gz IGHAMINPOACPIR-XHSDSOJGSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)N(C)CC)CC[C@H]1C ZINC001132937037 788231333 /nfs/dbraw/zinc/23/13/33/788231333.db2.gz FVKZDHJTQYXTGV-CVEARBPZSA-N 1 3 309.498 2.367 20 30 DEEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCCCCC)CC[C@@H]1C ZINC001133186410 788311063 /nfs/dbraw/zinc/31/10/63/788311063.db2.gz UOWSBJLQZBPYJE-ZWKOTPCHSA-N 1 3 321.509 2.206 20 30 DEEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133850958 788633132 /nfs/dbraw/zinc/63/31/32/788633132.db2.gz SHQOBLKFSASSKG-WMLDXEAASA-N 1 3 313.461 2.259 20 30 DEEDHO C=CCC[N@H+]1C[C@H](NC(=O)C(C)(C)N2CCCC2)CC[C@H]1C ZINC001071735993 789897931 /nfs/dbraw/zinc/89/79/31/789897931.db2.gz WAVMXOAWYDJHHH-HZPDHXFCSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)N2CCCC2)CC[C@H]1C ZINC001071735993 789897935 /nfs/dbraw/zinc/89/79/35/789897935.db2.gz WAVMXOAWYDJHHH-HZPDHXFCSA-N 1 3 307.482 2.406 20 30 DEEDHO N=C(Nc1ccc([C@@H]2CCC[NH2+]C2)cc1)c1ccc(C(N)=O)cc1 ZINC001171261070 791178503 /nfs/dbraw/zinc/17/85/03/791178503.db2.gz RCTAGFJLGBHCMU-MRXNPFEDSA-N 1 3 322.412 2.290 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC2CCC2)CC1 ZINC001146610599 791323162 /nfs/dbraw/zinc/32/31/62/791323162.db2.gz KPWMEQRVXFTCSU-HZPDHXFCSA-N 1 3 319.493 2.005 20 30 DEEDHO C=CCCC[N@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001148291762 791731434 /nfs/dbraw/zinc/73/14/34/791731434.db2.gz BWXNKQQAJLJSPT-UHFFFAOYSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCCC[N@@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001148291762 791731439 /nfs/dbraw/zinc/73/14/39/791731439.db2.gz BWXNKQQAJLJSPT-UHFFFAOYSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001086941775 791856956 /nfs/dbraw/zinc/85/69/56/791856956.db2.gz BGESGKNTWOHDEK-IAGOWNOFSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101400159 793144542 /nfs/dbraw/zinc/14/45/42/793144542.db2.gz JEKIEJDQJJLCJX-LMMKCTJWSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101400159 793144546 /nfs/dbraw/zinc/14/45/46/793144546.db2.gz JEKIEJDQJJLCJX-LMMKCTJWSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001103755404 794213624 /nfs/dbraw/zinc/21/36/24/794213624.db2.gz GBYXBHQDITWZKJ-ZACQAIPSSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001103755404 794213628 /nfs/dbraw/zinc/21/36/28/794213628.db2.gz GBYXBHQDITWZKJ-ZACQAIPSSA-N 1 3 307.482 2.121 20 30 DEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CCCCCCC)CC1 ZINC001176926474 794530009 /nfs/dbraw/zinc/53/00/09/794530009.db2.gz NQGSLJTWEPWULT-UHFFFAOYSA-N 1 3 321.509 2.398 20 30 DEEDHO CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](CC)N(C)C ZINC001177348174 794651364 /nfs/dbraw/zinc/65/13/64/794651364.db2.gz BEBOYDGLQDTKQZ-GOSISDBHSA-N 1 3 321.509 2.348 20 30 DEEDHO C#CC[NH2+]C1(CNC(=O)CN(C)CC(C)(C)C)CCCCC1 ZINC001115731182 794899755 /nfs/dbraw/zinc/89/97/55/794899755.db2.gz ZHAADVNMVJGVAS-UHFFFAOYSA-N 1 3 307.482 2.006 20 30 DEEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC001179546362 795135697 /nfs/dbraw/zinc/13/56/97/795135697.db2.gz MXJUEMPETKEYAY-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120130281 795410133 /nfs/dbraw/zinc/41/01/33/795410133.db2.gz UVEANAIHCRTENI-CQSZACIVSA-N 1 3 313.873 2.099 20 30 DEEDHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120130281 795410138 /nfs/dbraw/zinc/41/01/38/795410138.db2.gz UVEANAIHCRTENI-CQSZACIVSA-N 1 3 313.873 2.099 20 30 DEEDHO C#CCC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@H]2C)CCCCC1 ZINC001120190096 795419815 /nfs/dbraw/zinc/41/98/15/795419815.db2.gz ROCUUDHFFWRLFI-IAGOWNOFSA-N 1 3 319.493 2.291 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001184565552 796084400 /nfs/dbraw/zinc/08/44/00/796084400.db2.gz JWEVRUDNGTYOGI-HOTGVXAUSA-N 1 3 307.482 2.121 20 30 DEEDHO C#CCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001185171770 796202037 /nfs/dbraw/zinc/20/20/37/796202037.db2.gz XYXPPFSJBOANTN-IRXDYDNUSA-N 1 3 321.509 2.062 20 30 DEEDHO C#CC[NH2+]C[C@H]1CCN(C(=O)CN(C)CCCCCC)C[C@H]1C ZINC001185316928 796228012 /nfs/dbraw/zinc/22/80/12/796228012.db2.gz KVCCPHQZFDPJID-QZTJIDSGSA-N 1 3 321.509 2.206 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C12CCC2 ZINC001203026687 796512132 /nfs/dbraw/zinc/51/21/32/796512132.db2.gz AMBXPDVIJJNXQT-HZPDHXFCSA-N 1 3 305.466 2.064 20 30 DEEDHO C=CCN1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001188673333 796709984 /nfs/dbraw/zinc/70/99/84/796709984.db2.gz JIINLXRXJBJMGY-DLBZAZTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203791398 797699481 /nfs/dbraw/zinc/69/94/81/797699481.db2.gz IEIQGUUFMCRAGC-JKSUJKDBSA-N 1 3 307.482 2.310 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC[C@H]1C ZINC001158473384 798412774 /nfs/dbraw/zinc/41/27/74/798412774.db2.gz KRLLUPHDTPUIMB-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC[C@H]1C ZINC001158473384 798412779 /nfs/dbraw/zinc/41/27/79/798412779.db2.gz KRLLUPHDTPUIMB-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001158646522 798443123 /nfs/dbraw/zinc/44/31/23/798443123.db2.gz PHPPAFUIHGVCJR-GOSISDBHSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001158646522 798443126 /nfs/dbraw/zinc/44/31/26/798443126.db2.gz PHPPAFUIHGVCJR-GOSISDBHSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[NH2+]CC1(CCNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001164536956 799619716 /nfs/dbraw/zinc/61/97/16/799619716.db2.gz XMQBXNMBAVNTGP-UHFFFAOYSA-N 1 3 319.493 2.150 20 30 DEEDHO C=CCCC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001165627098 799751843 /nfs/dbraw/zinc/75/18/43/799751843.db2.gz CSAOUKCTDRTWQF-INIZCTEOSA-N 1 3 309.498 2.415 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203660040 800102634 /nfs/dbraw/zinc/10/26/34/800102634.db2.gz NUDZKTVMKJVCQR-HZPDHXFCSA-N 1 3 316.449 2.244 20 30 DEEDHO C=CCO[C@@H]1CO[C@@]2(C1)CCCN(C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001208609948 801031617 /nfs/dbraw/zinc/03/16/17/801031617.db2.gz XPQBCBMRJFTWQJ-OKZBNKHCSA-N 1 3 308.466 2.154 20 30 DEEDHO C=CCO[C@@H]1CO[C@@]2(C1)CCCN(C[C@H]1CCC[N@H+](C)C1)C2 ZINC001208609948 801031620 /nfs/dbraw/zinc/03/16/20/801031620.db2.gz XPQBCBMRJFTWQJ-OKZBNKHCSA-N 1 3 308.466 2.154 20 30 DEEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001209565658 801220285 /nfs/dbraw/zinc/22/02/85/801220285.db2.gz GVAYBLVEQWGRRO-BRWVUGGUSA-N 1 3 309.498 2.365 20 30 DEEDHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC001218560553 802204823 /nfs/dbraw/zinc/20/48/23/802204823.db2.gz RQPOQCAFINFUBD-AWEZNQCLSA-N 1 3 319.453 2.112 20 30 DEEDHO CC#CCN1CCC(CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001225652303 802996424 /nfs/dbraw/zinc/99/64/24/802996424.db2.gz AIHPSBRCCHSUIV-UHFFFAOYSA-N 1 3 319.493 2.104 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001226800259 803161858 /nfs/dbraw/zinc/16/18/58/803161858.db2.gz JAKYLWZIJBVVBZ-ZACQAIPSSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCC[C@@H](C)[NH+]1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC001227833168 803285848 /nfs/dbraw/zinc/28/58/48/803285848.db2.gz UXVJSOXBMZNVEX-OAHLLOKOSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001501051378 1059234933 /nfs/dbraw/zinc/23/49/33/1059234933.db2.gz VNWZVURIZOYTGB-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001501243226 1059403723 /nfs/dbraw/zinc/40/37/23/1059403723.db2.gz WUVPWYNVVWPEBO-HDICACEKSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001501243226 1059403726 /nfs/dbraw/zinc/40/37/26/1059403726.db2.gz WUVPWYNVVWPEBO-HDICACEKSA-N 1 3 321.509 2.463 20 30 DEEDHO C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCN2CCC)C1 ZINC001479687379 1061598161 /nfs/dbraw/zinc/59/81/61/1061598161.db2.gz GARYNMJUSBPHDJ-QZTJIDSGSA-N 1 3 319.493 2.245 20 30 DEEDHO C=C(C)CC[N@@H+](CCNC(=O)[C@H]1CCCCN1CC)C1CC1 ZINC001567455452 1064206443 /nfs/dbraw/zinc/20/64/43/1064206443.db2.gz BRKIYCLDBZCBHU-QGZVFWFLSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@H+](CCNC(=O)[C@H]1CCCCN1CC)C1CC1 ZINC001567455452 1064206449 /nfs/dbraw/zinc/20/64/49/1064206449.db2.gz BRKIYCLDBZCBHU-QGZVFWFLSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@@H+](CCNC(=O)[C@@H]1CCCCN1CC)C1CC1 ZINC001567455451 1064206568 /nfs/dbraw/zinc/20/65/68/1064206568.db2.gz BRKIYCLDBZCBHU-KRWDZBQOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@H+](CCNC(=O)[C@@H]1CCCCN1CC)C1CC1 ZINC001567455451 1064206577 /nfs/dbraw/zinc/20/65/77/1064206577.db2.gz BRKIYCLDBZCBHU-KRWDZBQOSA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001567634826 1064296466 /nfs/dbraw/zinc/29/64/66/1064296466.db2.gz RNKFTTHFVYUOFZ-SJLPKXTDSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001567742938 1064396290 /nfs/dbraw/zinc/39/62/90/1064396290.db2.gz VODWPWJTGKKJNJ-IAGOWNOFSA-N 1 3 309.498 2.462 20 30 DEEDHO C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001567742938 1064396303 /nfs/dbraw/zinc/39/63/03/1064396303.db2.gz VODWPWJTGKKJNJ-IAGOWNOFSA-N 1 3 309.498 2.462 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001567742940 1064396812 /nfs/dbraw/zinc/39/68/12/1064396812.db2.gz VODWPWJTGKKJNJ-SJORKVTESA-N 1 3 309.498 2.462 20 30 DEEDHO C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001567742940 1064396821 /nfs/dbraw/zinc/39/68/21/1064396821.db2.gz VODWPWJTGKKJNJ-SJORKVTESA-N 1 3 309.498 2.462 20 30 DEEDHO C=CCC[C@H](C)[NH+]1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001567840801 1064455103 /nfs/dbraw/zinc/45/51/03/1064455103.db2.gz GCACWAMJLIPPKC-HNNXBMFYSA-N 1 3 309.498 2.367 20 30 DEEDHO CC#CC[NH2+]C[C@]1(NC(=O)CN(C)CCC)CCCC[C@H]1C ZINC001568043481 1064614907 /nfs/dbraw/zinc/61/49/07/1064614907.db2.gz KWMVYZLQVUPTAH-SJLPKXTDSA-N 1 3 307.482 2.006 20 30 DEEDHO C=C(C)C[NH2+]C[C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001568208672 1064701119 /nfs/dbraw/zinc/70/11/19/1064701119.db2.gz PBGCAPPFXYTNTB-HNNXBMFYSA-N 1 3 303.450 2.280 20 30 DEEDHO C=C(C)CN(C)CCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001568491326 1064909095 /nfs/dbraw/zinc/90/90/95/1064909095.db2.gz OMOVJRFUCVYQLH-UHFFFAOYSA-N 1 3 309.498 2.465 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001568513429 1064925835 /nfs/dbraw/zinc/92/58/35/1064925835.db2.gz LFQDKXKGNAUDQM-AEFFLSMTSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001568513429 1064925843 /nfs/dbraw/zinc/92/58/43/1064925843.db2.gz LFQDKXKGNAUDQM-AEFFLSMTSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCN(C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001569135710 1065312699 /nfs/dbraw/zinc/31/26/99/1065312699.db2.gz ZUGVHNVLKUCEDJ-WBVHZDCISA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCN(C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001569135710 1065312708 /nfs/dbraw/zinc/31/27/08/1065312708.db2.gz ZUGVHNVLKUCEDJ-WBVHZDCISA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001569210890 1065367718 /nfs/dbraw/zinc/36/77/18/1065367718.db2.gz GFWIOZQRDTYWIZ-AWEZNQCLSA-N 1 3 301.862 2.051 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001569210890 1065367730 /nfs/dbraw/zinc/36/77/30/1065367730.db2.gz GFWIOZQRDTYWIZ-AWEZNQCLSA-N 1 3 301.862 2.051 20 30 DEEDHO C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCN1C(C)C)C1CCCCC1 ZINC001496316110 1065404213 /nfs/dbraw/zinc/40/42/13/1065404213.db2.gz YBWSQAIVNHCFLX-QZTJIDSGSA-N 1 3 319.493 2.147 20 30 DEEDHO C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001569321523 1065427089 /nfs/dbraw/zinc/42/70/89/1065427089.db2.gz QMCFXTKFPDPZTM-IAGOWNOFSA-N 1 3 307.482 2.310 20 30 DEEDHO CCCCCCCN1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001569381605 1065474867 /nfs/dbraw/zinc/47/48/67/1065474867.db2.gz UGISBYHIAKLMRS-INIZCTEOSA-N 1 3 307.482 2.243 20 30 DEEDHO C=C(C)C[NH2+]C/C=C\CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001497677861 1066233239 /nfs/dbraw/zinc/23/32/39/1066233239.db2.gz BTBVFXAKIIAIGP-TUYSUELWSA-N 1 3 311.445 2.037 20 30 DEEDHO C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001498487420 1066739507 /nfs/dbraw/zinc/73/95/07/1066739507.db2.gz GHZLBVZGOYYHDQ-IAGOWNOFSA-N 1 3 321.509 2.252 20 30 DEEDHO C#CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001499530213 1067249185 /nfs/dbraw/zinc/24/91/85/1067249185.db2.gz FWMYQNXTLTVMKW-SFHVURJKSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001499530213 1067249196 /nfs/dbraw/zinc/24/91/96/1067249196.db2.gz FWMYQNXTLTVMKW-SFHVURJKSA-N 1 3 319.493 2.053 20 30 DEEDHO N#Cc1ccc(CN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC001580066759 1067488158 /nfs/dbraw/zinc/48/81/58/1067488158.db2.gz SOFXIFMWIVNEGF-RBUKOAKNSA-N 1 3 311.429 2.291 20 30 DEEDHO C=CCC[NH+]1CCC([C@@H](C)NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001571645895 1068457028 /nfs/dbraw/zinc/45/70/28/1068457028.db2.gz XSXYVEYDJVQLJZ-JKSUJKDBSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC001574851641 1069276441 /nfs/dbraw/zinc/27/64/41/1069276441.db2.gz ILTBLKYCPVHYOY-SNPRPXQTSA-N 1 3 309.841 2.264 20 30 DEEDHO C=CCC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001483935517 1079195540 /nfs/dbraw/zinc/19/55/40/1079195540.db2.gz XNBBXHJJKYLAGQ-JKSUJKDBSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001484160431 1079334301 /nfs/dbraw/zinc/33/43/01/1079334301.db2.gz FXIHHYQZQFRFQA-SJLPKXTDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001484160431 1079334306 /nfs/dbraw/zinc/33/43/06/1079334306.db2.gz FXIHHYQZQFRFQA-SJLPKXTDSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCN1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001566130999 1075235073 /nfs/dbraw/zinc/23/50/73/1075235073.db2.gz FOKAHPPWNBOJNB-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001566626334 1075299973 /nfs/dbraw/zinc/29/99/73/1075299973.db2.gz JAKOTRKJJXHQMQ-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001566626334 1075299977 /nfs/dbraw/zinc/29/99/77/1075299977.db2.gz JAKOTRKJJXHQMQ-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001566813831 1075351434 /nfs/dbraw/zinc/35/14/34/1075351434.db2.gz PHQIYMUSAWQHKN-VQHPVUNQSA-N 1 3 307.482 2.452 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC(CC)CC)CC1 ZINC001485229285 1080076945 /nfs/dbraw/zinc/07/69/45/1080076945.db2.gz IORJEZBQNOQETP-HZPDHXFCSA-N 1 3 321.509 2.251 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1CC ZINC001656763757 1080121155 /nfs/dbraw/zinc/12/11/55/1080121155.db2.gz NTAINCYHDKDSEO-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001485506830 1080267381 /nfs/dbraw/zinc/26/73/81/1080267381.db2.gz QXYYWFWJBAKKGK-RDJZCZTQSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001485707103 1080373121 /nfs/dbraw/zinc/37/31/21/1080373121.db2.gz SLUPBSKRDTVWBA-ULQDDVLXSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001279169804 1080550628 /nfs/dbraw/zinc/55/06/28/1080550628.db2.gz JGNBGIURDNXHKH-ZWKOTPCHSA-N 1 3 321.509 2.369 20 30 DEEDHO CC#CC[NH2+]C1CCC(NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001662108448 1080570420 /nfs/dbraw/zinc/57/04/20/1080570420.db2.gz GJSKQNRUUWQZQT-UHFFFAOYSA-N 1 3 319.493 2.291 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001662426473 1080608026 /nfs/dbraw/zinc/60/80/26/1080608026.db2.gz XUMXOAKLNHYXMM-MRXNPFEDSA-N 1 3 319.493 2.006 20 30 DEEDHO C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001664457393 1080912389 /nfs/dbraw/zinc/91/23/89/1080912389.db2.gz NLVVUZOPUDKIEW-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001666310571 1081142861 /nfs/dbraw/zinc/14/28/61/1081142861.db2.gz TUWBYEVYJOVGSS-KZNAEPCWSA-N 1 3 319.493 2.291 20 30 DEEDHO CC#CC[NH+]1CCC(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001666379098 1081149058 /nfs/dbraw/zinc/14/90/58/1081149058.db2.gz IKJDHCHNELFGPX-UHFFFAOYSA-N 1 3 321.509 2.206 20 30 DEEDHO CC#CC[N@@H+](C)CCN(C)C(=O)[C@H](c1ccccc1)N(C)CC ZINC001667647960 1081270171 /nfs/dbraw/zinc/27/01/71/1081270171.db2.gz OYDZTBIYCZDWGT-SFHVURJKSA-N 1 3 315.461 2.093 20 30 DEEDHO CC#CC[N@H+](C)CCN(C)C(=O)[C@H](c1ccccc1)N(C)CC ZINC001667647960 1081270175 /nfs/dbraw/zinc/27/01/75/1081270175.db2.gz OYDZTBIYCZDWGT-SFHVURJKSA-N 1 3 315.461 2.093 20 30 DEEDHO CC#CCN(C)CCN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001667647960 1081270180 /nfs/dbraw/zinc/27/01/80/1081270180.db2.gz OYDZTBIYCZDWGT-SFHVURJKSA-N 1 3 315.461 2.093 20 30 DEEDHO CC#CCN(C)CCN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001667647960 1081270187 /nfs/dbraw/zinc/27/01/87/1081270187.db2.gz OYDZTBIYCZDWGT-SFHVURJKSA-N 1 3 315.461 2.093 20 30 DEEDHO C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001674486391 1081880631 /nfs/dbraw/zinc/88/06/31/1081880631.db2.gz JZEMMIQIVOVUJF-GOSISDBHSA-N 1 3 315.461 2.471 20 30 DEEDHO C=C(C)CN1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001266333009 1081976922 /nfs/dbraw/zinc/97/69/22/1081976922.db2.gz FFBBFZLOYXXQSV-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CN1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001266333009 1081976928 /nfs/dbraw/zinc/97/69/28/1081976928.db2.gz FFBBFZLOYXXQSV-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001266662253 1082257413 /nfs/dbraw/zinc/25/74/13/1082257413.db2.gz DEKUVTIYBDAFSK-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001266662253 1082257417 /nfs/dbraw/zinc/25/74/17/1082257417.db2.gz DEKUVTIYBDAFSK-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC(CC)CC)C2)CC1 ZINC001490957789 1083973085 /nfs/dbraw/zinc/97/30/85/1083973085.db2.gz CKRRQQLDRIFBFF-IYARVYRRSA-N 1 3 319.493 2.005 20 30 DEEDHO C=CC[NH2+]CCN1CCN[C@@H](c2cccc(Br)c2)C1 ZINC001235794222 1084530852 /nfs/dbraw/zinc/53/08/52/1084530852.db2.gz KFYYRTXJAJSJIL-OAHLLOKOSA-N 1 3 324.266 2.171 20 30 DEEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CC1(C)C ZINC001486246928 1085163063 /nfs/dbraw/zinc/16/30/63/1085163063.db2.gz VHLSUIQRPINGOG-CVEARBPZSA-N 1 3 309.498 2.365 20 30 DEEDHO C=CC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001486438862 1085315263 /nfs/dbraw/zinc/31/52/63/1085315263.db2.gz CFGMWRJJVNXOEM-OAHLLOKOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC000961950393 1085918551 /nfs/dbraw/zinc/91/85/51/1085918551.db2.gz XDAAJGZZWJGUGK-XWTMOSNGSA-N 1 3 319.493 2.262 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC000961950393 1085918558 /nfs/dbraw/zinc/91/85/58/1085918558.db2.gz XDAAJGZZWJGUGK-XWTMOSNGSA-N 1 3 319.493 2.262 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963366759 1086428149 /nfs/dbraw/zinc/42/81/49/1086428149.db2.gz MTQFITHVFHJYGT-RDJZCZTQSA-N 1 3 316.449 2.231 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963366759 1086428153 /nfs/dbraw/zinc/42/81/53/1086428153.db2.gz MTQFITHVFHJYGT-RDJZCZTQSA-N 1 3 316.449 2.231 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001084345621 1090273414 /nfs/dbraw/zinc/27/34/14/1090273414.db2.gz JEUAOTQTBJNFPF-IAGOWNOFSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001084345621 1090273421 /nfs/dbraw/zinc/27/34/21/1090273421.db2.gz JEUAOTQTBJNFPF-IAGOWNOFSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084398557 1090289096 /nfs/dbraw/zinc/28/90/96/1090289096.db2.gz FONVLUWASSAVDG-KZNAEPCWSA-N 1 3 319.493 2.073 20 30 DEEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084398557 1090289102 /nfs/dbraw/zinc/28/91/02/1090289102.db2.gz FONVLUWASSAVDG-KZNAEPCWSA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCN1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001274459849 1091255504 /nfs/dbraw/zinc/25/55/04/1091255504.db2.gz FQLNTNUQSQSMEM-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCCCCCN1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001276042252 1091470809 /nfs/dbraw/zinc/47/08/09/1091470809.db2.gz XTHWFHJGGPJAQW-HDICACEKSA-N 1 3 309.498 2.070 20 30 DEEDHO C=C(Cl)CNC1CC(N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001411252542 1091473334 /nfs/dbraw/zinc/47/33/34/1091473334.db2.gz KMNCNAOLGWOCMZ-UHFFFAOYSA-N 1 3 313.873 2.194 20 30 DEEDHO CC#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCCCN1CC)C(C)C ZINC001276146727 1091598115 /nfs/dbraw/zinc/59/81/15/1091598115.db2.gz JAWABXBEIYLURJ-MSOLQXFVSA-N 1 3 321.509 2.347 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001273445293 1091769150 /nfs/dbraw/zinc/76/91/50/1091769150.db2.gz LJOAXWURTIISFX-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001273445293 1091769158 /nfs/dbraw/zinc/76/91/58/1091769158.db2.gz LJOAXWURTIISFX-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C[NH+](C)CCN1CC2(C1)CCN(Cc1ccc(C#N)s1)CC2 ZINC001275588632 1091891248 /nfs/dbraw/zinc/89/12/48/1091891248.db2.gz GMJOHSUOSBSAJT-UHFFFAOYSA-N 1 3 318.490 2.079 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001488646986 1092657065 /nfs/dbraw/zinc/65/70/65/1092657065.db2.gz HNAAPJYMWSFXEI-MRXNPFEDSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1CCCCC1 ZINC001319661623 1140647074 /nfs/dbraw/zinc/64/70/74/1140647074.db2.gz DFFFNJZLWZSUFR-SJORKVTESA-N 1 3 309.498 2.413 20 30 DEEDHO C=CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1CCCCC1 ZINC001319661620 1140647567 /nfs/dbraw/zinc/64/75/67/1140647567.db2.gz DFFFNJZLWZSUFR-DLBZAZTESA-N 1 3 309.498 2.413 20 30 DEEDHO C[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CN1 ZINC001246359317 1140888021 /nfs/dbraw/zinc/88/80/21/1140888021.db2.gz AMYLCHZCLIPIKE-HNAYVOBHSA-N 1 3 312.461 2.253 20 30 DEEDHO C[C@H]1CC[C@@H](NC2CCN(Cc3ccccc3C#N)CC2)C[NH2+]1 ZINC001246359317 1140888023 /nfs/dbraw/zinc/88/80/23/1140888023.db2.gz AMYLCHZCLIPIKE-HNAYVOBHSA-N 1 3 312.461 2.253 20 30 DEEDHO C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CCN1 ZINC001246361466 1140888098 /nfs/dbraw/zinc/88/80/98/1140888098.db2.gz LLPAYMWSCVQWCU-DNVCBOLYSA-N 1 3 312.461 2.253 20 30 DEEDHO CN1CCN(Cc2cccc(C[NH2+][C@H]3CC[C@@H](C#N)C3)c2)CC1 ZINC001254638763 1143293578 /nfs/dbraw/zinc/29/35/78/1143293578.db2.gz QLWXXHCMKSLDDG-APWZRJJASA-N 1 3 312.461 2.216 20 30 DEEDHO C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001263839174 1144407560 /nfs/dbraw/zinc/40/75/60/1144407560.db2.gz QKDHTGQBHCAITH-IYBDPMFKSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001264123044 1144475220 /nfs/dbraw/zinc/47/52/20/1144475220.db2.gz YKCGIALIVQHNJF-OAHLLOKOSA-N 1 3 304.438 2.279 20 30 DEEDHO CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN(C)CCC ZINC001265697166 1144729877 /nfs/dbraw/zinc/72/98/77/1144729877.db2.gz PCXOSJLRGMCJGI-MSOLQXFVSA-N 1 3 319.493 2.197 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN(C)CCC ZINC001265697166 1144729880 /nfs/dbraw/zinc/72/98/80/1144729880.db2.gz PCXOSJLRGMCJGI-MSOLQXFVSA-N 1 3 319.493 2.197 20 30 DEEDHO C=C(C)C[NH2+]C1(CC)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001281035860 1144869455 /nfs/dbraw/zinc/86/94/55/1144869455.db2.gz DXCVQHABESVQLY-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1CC ZINC001281969962 1144925618 /nfs/dbraw/zinc/92/56/18/1144925618.db2.gz XTLJMCKHYWWGRS-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1CC ZINC001281969962 1144925619 /nfs/dbraw/zinc/92/56/19/1144925619.db2.gz XTLJMCKHYWWGRS-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)[C@@H]2C1 ZINC001364634625 1145392062 /nfs/dbraw/zinc/39/20/62/1145392062.db2.gz JCCDTGFICPIGAH-PWIZWCRZSA-N 1 3 324.472 2.457 20 30 DEEDHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)[C@@H]2C1 ZINC001364634606 1145392824 /nfs/dbraw/zinc/39/28/24/1145392824.db2.gz JCCDTGFICPIGAH-DBVUQKKJSA-N 1 3 324.472 2.457 20 30 DEEDHO CCN1CCC([N@@H+]2CCCN([C@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC001364739107 1145527845 /nfs/dbraw/zinc/52/78/45/1145527845.db2.gz XNEPUFYUTMGPIR-AEFFLSMTSA-N 1 3 304.482 2.171 20 30 DEEDHO CCN1CCC([N@H+]2CCCN([C@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC001364739107 1145527860 /nfs/dbraw/zinc/52/78/60/1145527860.db2.gz XNEPUFYUTMGPIR-AEFFLSMTSA-N 1 3 304.482 2.171 20 30 DEEDHO C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001317045504 1147652245 /nfs/dbraw/zinc/65/22/45/1147652245.db2.gz QXWGCWLTBLULRD-ZWKOTPCHSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001317045504 1147652246 /nfs/dbraw/zinc/65/22/46/1147652246.db2.gz QXWGCWLTBLULRD-ZWKOTPCHSA-N 1 3 319.493 2.055 20 30 DEEDHO C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001317673243 1147741878 /nfs/dbraw/zinc/74/18/78/1147741878.db2.gz BCKAJIUJYDKSPF-DOTOQJQBSA-N 1 3 307.482 2.264 20 30 DEEDHO CC#CC[NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CCC1 ZINC001326928131 1148292182 /nfs/dbraw/zinc/29/21/82/1148292182.db2.gz KHOLZNGISRGWGT-UHFFFAOYSA-N 1 3 313.445 2.014 20 30 DEEDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1cccc(C#N)c1 ZINC000181857365 199363101 /nfs/dbraw/zinc/36/31/01/199363101.db2.gz HCBPIXLSMWZRFS-HNNXBMFYSA-N 1 3 300.450 2.235 20 30 DEEDHO CN(C)Cc1cccc(C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000073078950 191277310 /nfs/dbraw/zinc/27/73/10/191277310.db2.gz VKSUZWJVQYNKEE-UHFFFAOYSA-N 1 3 316.449 2.056 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC000073640458 354973099 /nfs/dbraw/zinc/97/30/99/354973099.db2.gz SAYZTJYOJMHGJS-KRWDZBQOSA-N 1 3 307.482 2.143 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000081687375 355443990 /nfs/dbraw/zinc/44/39/90/355443990.db2.gz WDNMEJZHHHJJGL-NVXWUHKLSA-N 1 3 305.466 2.018 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000081687375 355443991 /nfs/dbraw/zinc/44/39/91/355443991.db2.gz WDNMEJZHHHJJGL-NVXWUHKLSA-N 1 3 305.466 2.018 20 30 DEEDHO CC[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)N1CCCC1 ZINC000083031385 355462449 /nfs/dbraw/zinc/46/24/49/355462449.db2.gz ZBWXZAFJQRXBAE-GOEBONIOSA-N 1 3 316.449 2.289 20 30 DEEDHO C=C(C)C[NH+]1CCC(NCc2ccccc2-n2cncn2)CC1 ZINC000592291252 357859863 /nfs/dbraw/zinc/85/98/63/357859863.db2.gz ZUGIWEBJSOJWHG-UHFFFAOYSA-N 1 3 311.433 2.397 20 30 DEEDHO C[C@@H](CCC#N)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000602617720 360459186 /nfs/dbraw/zinc/45/91/86/360459186.db2.gz ZLYHJUGTPZFOCS-KRWDZBQOSA-N 1 3 306.498 2.276 20 30 DEEDHO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000442781322 238074751 /nfs/dbraw/zinc/07/47/51/238074751.db2.gz ILPFNJUDWVXIMA-MSOLQXFVSA-N 1 3 313.445 2.425 20 30 DEEDHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000442781606 238074904 /nfs/dbraw/zinc/07/49/04/238074904.db2.gz JKZXMJQGCAWHIW-IRXDYDNUSA-N 1 3 301.434 2.451 20 30 DEEDHO C#CCOc1ccc([C@H](C)NCCC[N@@H+](C)CCOC)cc1 ZINC000268840540 207006735 /nfs/dbraw/zinc/00/67/35/207006735.db2.gz UEGHSEFLYCYIEK-INIZCTEOSA-N 1 3 304.434 2.318 20 30 DEEDHO C#CCOc1ccc([C@H](C)NCCC[N@H+](C)CCOC)cc1 ZINC000268840540 207006738 /nfs/dbraw/zinc/00/67/38/207006738.db2.gz UEGHSEFLYCYIEK-INIZCTEOSA-N 1 3 304.434 2.318 20 30 DEEDHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cc(C#N)cs2)CC1 ZINC000121149781 195300167 /nfs/dbraw/zinc/30/01/67/195300167.db2.gz GEMASCRZEKYWOJ-ZDUSSCGKSA-N 1 3 307.463 2.144 20 30 DEEDHO CC(C)N1CCN(CCC[N@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000191396603 402666077 /nfs/dbraw/zinc/66/60/77/402666077.db2.gz UOKOHTCIXWJRTB-UHFFFAOYSA-N 1 3 314.477 2.406 20 30 DEEDHO CC(C)N1CCN(CCC[N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000191396603 402666079 /nfs/dbraw/zinc/66/60/79/402666079.db2.gz UOKOHTCIXWJRTB-UHFFFAOYSA-N 1 3 314.477 2.406 20 30 DEEDHO C#CCOc1ccc(CNC[C@H](CC[NH+](C)C)OCC)cc1 ZINC000267847757 403041171 /nfs/dbraw/zinc/04/11/71/403041171.db2.gz DRPFFUOKJZRXNJ-SFHVURJKSA-N 1 3 304.434 2.145 20 30 DEEDHO CC(C#N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000347101146 403615364 /nfs/dbraw/zinc/61/53/64/403615364.db2.gz GMUYHAZRZBSBMD-HUUCEWRRSA-N 1 3 315.417 2.162 20 30 DEEDHO CCCC[N@H+](C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349810340 404211059 /nfs/dbraw/zinc/21/10/59/404211059.db2.gz BARCAPCFEWCMGF-QGZVFWFLSA-N 1 3 312.417 2.089 20 30 DEEDHO CCCC[N@@H+](C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349810340 404211062 /nfs/dbraw/zinc/21/10/62/404211062.db2.gz BARCAPCFEWCMGF-QGZVFWFLSA-N 1 3 312.417 2.089 20 30 DEEDHO C=CCOc1ccc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414777522 404732129 /nfs/dbraw/zinc/73/21/29/404732129.db2.gz FUUZAVSEJFAXJF-KRWDZBQOSA-N 1 3 316.445 2.439 20 30 DEEDHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](N)CCCC#N ZINC000424194183 405037237 /nfs/dbraw/zinc/03/72/37/405037237.db2.gz RWSGGVVNQFHTSR-KRWDZBQOSA-N 1 3 316.449 2.118 20 30 DEEDHO C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCN1 ZINC000423367102 405780760 /nfs/dbraw/zinc/78/07/60/405780760.db2.gz CXQWLDDJYHVGPU-DNVCBOLYSA-N 1 3 312.461 2.253 20 30 DEEDHO C=C(C)C[NH+]1CCC(NC(=O)N(CCC)[C@H]2CCN(C)C2)CC1 ZINC000645264950 407255471 /nfs/dbraw/zinc/25/54/71/407255471.db2.gz QDRXSLLKIGGUTP-KRWDZBQOSA-N 1 3 322.497 2.153 20 30 DEEDHO N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000571550760 292556276 /nfs/dbraw/zinc/55/62/76/292556276.db2.gz WVTQSJFTYCCPCP-LHUBUQBQSA-N 1 3 314.433 2.360 20 30 DEEDHO CN(C)CCOc1ccc(CCNC(=[NH2+])NC2CCCC2)cc1 ZINC000264316317 225313637 /nfs/dbraw/zinc/31/36/37/225313637.db2.gz WGSSQDCGIXTBES-UHFFFAOYSA-N 1 3 318.465 2.016 20 30 DEEDHO C=CC[C@@]1(C(=O)NCc2ccccc2CN(C)C)CCC[NH2+]1 ZINC000662670319 425708376 /nfs/dbraw/zinc/70/83/76/425708376.db2.gz FZKQEJXRSKHKSA-SFHVURJKSA-N 1 3 301.434 2.063 20 30 DEEDHO C=CC[C@]1(C(=O)Nc2cccc(OCCN(C)C)c2)CCC[NH2+]1 ZINC000662674196 425709041 /nfs/dbraw/zinc/70/90/41/425709041.db2.gz ZKIQYPXAWKUOTN-GOSISDBHSA-N 1 3 317.433 2.264 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCCC[NH+](CC)CC)CC1 ZINC000106327752 277775535 /nfs/dbraw/zinc/77/55/35/277775535.db2.gz WVSIEYMAGVBOMN-UHFFFAOYSA-N 1 3 310.486 2.058 20 30 DEEDHO C=CCN1CCC(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)CC1 ZINC000185386389 337204591 /nfs/dbraw/zinc/20/45/91/337204591.db2.gz BKHHYXVIDKRUME-INIZCTEOSA-N 1 3 322.497 2.201 20 30 DEEDHO C=CCCC[N@@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001330210461 1149071307 /nfs/dbraw/zinc/07/13/07/1149071307.db2.gz POPDXHXRNCLUJH-INIZCTEOSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCCC[N@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001330210461 1149071312 /nfs/dbraw/zinc/07/13/12/1149071312.db2.gz POPDXHXRNCLUJH-INIZCTEOSA-N 1 3 319.493 2.408 20 30 DEEDHO CCCNC(=[NH2+])NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000264089983 528161237 /nfs/dbraw/zinc/16/12/37/528161237.db2.gz KQWAWPMJQLWTCP-UHFFFAOYSA-N 1 3 318.465 2.222 20 30 DEEDHO CCOc1ccc(CNC(=[NH2+])NC[C@@H]2CCCN2CC)cc1F ZINC000267458870 528413300 /nfs/dbraw/zinc/41/33/00/528413300.db2.gz UITJKJPLCAFJPI-AWEZNQCLSA-N 1 3 322.428 2.113 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCC(F)(F)C1 ZINC000261899601 529100216 /nfs/dbraw/zinc/10/02/16/529100216.db2.gz WJQPGYYNJKUZII-OLZOCXBDSA-N 1 3 302.413 2.201 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc(Cl)ccc1OC ZINC000264109266 529101092 /nfs/dbraw/zinc/10/10/92/529101092.db2.gz QFVPNOPMPWXZIC-AWEZNQCLSA-N 1 3 324.856 2.237 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001020752236 623109041 /nfs/dbraw/zinc/10/90/41/623109041.db2.gz DABUYKWUSQPERZ-WKILWMFISA-N 1 3 321.852 2.351 20 30 DEEDHO C=CCN(C)[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000972340380 624935107 /nfs/dbraw/zinc/93/51/07/624935107.db2.gz RWROXHGIVYSATI-SFHVURJKSA-N 1 3 315.461 2.123 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001022975402 625122846 /nfs/dbraw/zinc/12/28/46/625122846.db2.gz KWBCOUCJIPSCFL-BYNSBNAKSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001024436424 625763016 /nfs/dbraw/zinc/76/30/16/625763016.db2.gz CVUBSWDMPQRPKY-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001024436424 625763022 /nfs/dbraw/zinc/76/30/22/625763022.db2.gz CVUBSWDMPQRPKY-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974975058 633382209 /nfs/dbraw/zinc/38/22/09/633382209.db2.gz SCGQSSLNTPDWJP-HRCADAONSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)CN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974975058 633382211 /nfs/dbraw/zinc/38/22/11/633382211.db2.gz SCGQSSLNTPDWJP-HRCADAONSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1sccc1CN(C)C ZINC001027913776 634955337 /nfs/dbraw/zinc/95/53/37/634955337.db2.gz OKOYWDRSPXFDFV-CQSZACIVSA-N 1 3 307.463 2.190 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sccc1CN(C)C ZINC001027913776 634955339 /nfs/dbraw/zinc/95/53/39/634955339.db2.gz OKOYWDRSPXFDFV-CQSZACIVSA-N 1 3 307.463 2.190 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001000374649 635162762 /nfs/dbraw/zinc/16/27/62/635162762.db2.gz WEKWFGJAIYVKNE-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC(C)C)C2)CC1 ZINC000981540559 635523017 /nfs/dbraw/zinc/52/30/17/635523017.db2.gz DTZCLGUSKUAGKD-ZWKOTPCHSA-N 1 3 319.493 2.005 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000982052381 635846035 /nfs/dbraw/zinc/84/60/35/635846035.db2.gz HUQDMZIEIHYADT-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1CCCC ZINC001028251703 635960330 /nfs/dbraw/zinc/96/03/30/635960330.db2.gz JWIPVOAXDCOXAT-ZWKOTPCHSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1CCCC ZINC001028251703 635960332 /nfs/dbraw/zinc/96/03/32/635960332.db2.gz JWIPVOAXDCOXAT-ZWKOTPCHSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004458815 636459755 /nfs/dbraw/zinc/45/97/55/636459755.db2.gz QWKSIFYPNHJZAM-QZTJIDSGSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004458815 636459758 /nfs/dbraw/zinc/45/97/58/636459758.db2.gz QWKSIFYPNHJZAM-QZTJIDSGSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004546101 636483614 /nfs/dbraw/zinc/48/36/14/636483614.db2.gz GONWTPYIQBQSEH-WMZOPIPTSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004546101 636483617 /nfs/dbraw/zinc/48/36/17/636483617.db2.gz GONWTPYIQBQSEH-WMZOPIPTSA-N 1 3 319.493 2.360 20 30 DEEDHO N#Cc1ccc(CN2CCC(N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)CC2)cc1 ZINC000902470997 643051315 /nfs/dbraw/zinc/05/13/15/643051315.db2.gz IUILIOJCMGQSRI-IPMKNSEASA-N 1 3 310.445 2.005 20 30 DEEDHO N#CC1(CCCC[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)CCC1 ZINC000903759995 643451958 /nfs/dbraw/zinc/45/19/58/643451958.db2.gz DNCDAXJINUEABW-INIZCTEOSA-N 1 3 316.453 2.238 20 30 DEEDHO N#CC1(CCCC[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)CCC1 ZINC000903759995 643451960 /nfs/dbraw/zinc/45/19/60/643451960.db2.gz DNCDAXJINUEABW-INIZCTEOSA-N 1 3 316.453 2.238 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(Cc2ccccc2)CC1 ZINC000151416241 646376144 /nfs/dbraw/zinc/37/61/44/646376144.db2.gz GXOLQAINDSYBNJ-QGZVFWFLSA-N 1 3 314.477 2.398 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948244725 648836102 /nfs/dbraw/zinc/83/61/02/648836102.db2.gz IYSIAIMGCJTLDE-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948244725 648836103 /nfs/dbraw/zinc/83/61/03/648836103.db2.gz IYSIAIMGCJTLDE-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C(C)(C)C1 ZINC000940738043 648935682 /nfs/dbraw/zinc/93/56/82/648935682.db2.gz VFTCBVLAHYKXER-SJORKVTESA-N 1 3 319.493 2.099 20 30 DEEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C(C)(C)C1 ZINC000940738043 648935683 /nfs/dbraw/zinc/93/56/83/648935683.db2.gz VFTCBVLAHYKXER-SJORKVTESA-N 1 3 319.493 2.099 20 30 DEEDHO C#C[C@](C)(CC)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000854704377 651541200 /nfs/dbraw/zinc/54/12/00/651541200.db2.gz RCDWGYAZCYSRDE-LJQANCHMSA-N 1 3 319.493 2.101 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(c2cccc(F)c2)CC1 ZINC000304741450 685259119 /nfs/dbraw/zinc/25/91/19/685259119.db2.gz CDNCQWQFILJVOU-MRXNPFEDSA-N 1 3 318.440 2.246 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1cccc(C)c1 ZINC000304792564 685262206 /nfs/dbraw/zinc/26/22/06/685262206.db2.gz LCKWDTWOJWNUNG-HZPDHXFCSA-N 1 3 318.465 2.151 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOc1cccc(Cl)c1 ZINC000303891931 685239280 /nfs/dbraw/zinc/23/92/80/685239280.db2.gz RAWNOPLQZHDZBK-AWEZNQCLSA-N 1 3 324.856 2.107 20 30 DEEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001018031229 688033498 /nfs/dbraw/zinc/03/34/98/688033498.db2.gz AMJNTHWQYAFDAT-HDICACEKSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001020151193 688475046 /nfs/dbraw/zinc/47/50/46/688475046.db2.gz OUJBJPORRLDTGA-HDJSIYSDSA-N 1 3 313.873 2.240 20 30 DEEDHO C=CCNC(=O)[C@H](C)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872155968 688940588 /nfs/dbraw/zinc/94/05/88/688940588.db2.gz BPKKXIQWZKDNHG-ZMSDIMECSA-N 1 3 307.482 2.297 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001033587006 689552463 /nfs/dbraw/zinc/55/24/63/689552463.db2.gz COBRBWDNRJZFDA-AWEZNQCLSA-N 1 3 304.438 2.186 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001033587006 689552464 /nfs/dbraw/zinc/55/24/64/689552464.db2.gz COBRBWDNRJZFDA-AWEZNQCLSA-N 1 3 304.438 2.186 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033684356 689583406 /nfs/dbraw/zinc/58/34/06/689583406.db2.gz NMWAIVQETNHUNA-SFHVURJKSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033684356 689583408 /nfs/dbraw/zinc/58/34/08/689583408.db2.gz NMWAIVQETNHUNA-SFHVURJKSA-N 1 3 315.461 2.471 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033937990 689668386 /nfs/dbraw/zinc/66/83/86/689668386.db2.gz RJPHTXZSEWQQBT-YESZJQIVSA-N 1 3 307.482 2.216 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033937990 689668389 /nfs/dbraw/zinc/66/83/89/689668389.db2.gz RJPHTXZSEWQQBT-YESZJQIVSA-N 1 3 307.482 2.216 20 30 DEEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034328818 689810716 /nfs/dbraw/zinc/81/07/16/689810716.db2.gz DUPYUSFSELJMQU-ROUUACIJSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000876876452 689961755 /nfs/dbraw/zinc/96/17/55/689961755.db2.gz PQRDGAHUWOEASL-AWEZNQCLSA-N 1 3 301.862 2.035 20 30 DEEDHO CC(C)[NH+]1CCC(CCNC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000877200155 690043906 /nfs/dbraw/zinc/04/39/06/690043906.db2.gz GYKPONPVBUBXQS-INIZCTEOSA-N 1 3 308.470 2.024 20 30 DEEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2 ZINC001035710645 690158020 /nfs/dbraw/zinc/15/80/20/690158020.db2.gz OJHSEMJKBVSVCO-DLBZAZTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC2 ZINC001035710645 690158021 /nfs/dbraw/zinc/15/80/21/690158021.db2.gz OJHSEMJKBVSVCO-DLBZAZTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[NH+]1CC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035823802 690185674 /nfs/dbraw/zinc/18/56/74/690185674.db2.gz MPXKNZBDHBBDTD-UHFFFAOYSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001036306749 690316426 /nfs/dbraw/zinc/31/64/26/690316426.db2.gz YMDQEUCDJZQORH-QAPCUYQASA-N 1 3 315.461 2.374 20 30 DEEDHO C=CCC[C@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccccc1 ZINC000878368672 690388872 /nfs/dbraw/zinc/38/88/72/690388872.db2.gz MLFUGOCUTUTGPG-SFHVURJKSA-N 1 3 315.461 2.494 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039173384 691038976 /nfs/dbraw/zinc/03/89/76/691038976.db2.gz VMNQKKFGHABXCQ-GOSISDBHSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039173384 691038979 /nfs/dbraw/zinc/03/89/79/691038979.db2.gz VMNQKKFGHABXCQ-GOSISDBHSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001039298432 691076689 /nfs/dbraw/zinc/07/66/89/691076689.db2.gz WOSOGQNGFKSVNG-XYTVBORESA-N 1 3 305.466 2.016 20 30 DEEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001039424192 691103452 /nfs/dbraw/zinc/10/34/52/691103452.db2.gz FOFXDXKGUCDGHJ-FJIDUMEYSA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001039424192 691103454 /nfs/dbraw/zinc/10/34/54/691103454.db2.gz FOFXDXKGUCDGHJ-FJIDUMEYSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040241714 691219231 /nfs/dbraw/zinc/21/92/31/691219231.db2.gz RPLFHQKQFFKDFN-IEBWSBKVSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040241714 691219233 /nfs/dbraw/zinc/21/92/33/691219233.db2.gz RPLFHQKQFFKDFN-IEBWSBKVSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001040735589 691284081 /nfs/dbraw/zinc/28/40/81/691284081.db2.gz TUQPWKGOWGRBLE-INIZCTEOSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041356860 691366655 /nfs/dbraw/zinc/36/66/55/691366655.db2.gz CJWCFOMVKMEZBU-LJQANCHMSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041356860 691366657 /nfs/dbraw/zinc/36/66/57/691366657.db2.gz CJWCFOMVKMEZBU-LJQANCHMSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001041692809 691410777 /nfs/dbraw/zinc/41/07/77/691410777.db2.gz OFHOHJKSVQOSKG-WMZOPIPTSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001041692809 691410780 /nfs/dbraw/zinc/41/07/80/691410780.db2.gz OFHOHJKSVQOSKG-WMZOPIPTSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CN1CC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001042132744 691517628 /nfs/dbraw/zinc/51/76/28/691517628.db2.gz HUYGMEIJHJKDTJ-IRXDYDNUSA-N 1 3 317.477 2.114 20 30 DEEDHO C=C(C)CN1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046369132 692168305 /nfs/dbraw/zinc/16/83/05/692168305.db2.gz POROFRDAGIQUHM-FUHWJXTLSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CN1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001046369132 692168306 /nfs/dbraw/zinc/16/83/06/692168306.db2.gz POROFRDAGIQUHM-FUHWJXTLSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CN1CC[C@@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046739596 692280272 /nfs/dbraw/zinc/28/02/72/692280272.db2.gz QKMHCMJYOWNNPV-GOSISDBHSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049232366 692795788 /nfs/dbraw/zinc/79/57/88/692795788.db2.gz UEQUERMTDORLHC-USTZCAOPSA-N 1 3 319.493 2.216 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049232366 692795791 /nfs/dbraw/zinc/79/57/91/692795791.db2.gz UEQUERMTDORLHC-USTZCAOPSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001049464585 692890190 /nfs/dbraw/zinc/89/01/90/692890190.db2.gz NWGROOJXYNQLTB-BBWFWOEESA-N 1 3 305.466 2.111 20 30 DEEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001049464585 692890193 /nfs/dbraw/zinc/89/01/93/692890193.db2.gz NWGROOJXYNQLTB-BBWFWOEESA-N 1 3 305.466 2.111 20 30 DEEDHO C=C(C)CC[NH+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001050663396 693227610 /nfs/dbraw/zinc/22/76/10/693227610.db2.gz SRTBKDZLOFMDGH-QGZVFWFLSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001052427166 693531826 /nfs/dbraw/zinc/53/18/26/693531826.db2.gz WNBXSBUUIDAXRR-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001052427166 693531827 /nfs/dbraw/zinc/53/18/27/693531827.db2.gz WNBXSBUUIDAXRR-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCC)CC2)CC1 ZINC001052954315 693655794 /nfs/dbraw/zinc/65/57/94/693655794.db2.gz MUEWSBXSKIZAIC-SFHVURJKSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCCC)CC2)CC1 ZINC001052954315 693655797 /nfs/dbraw/zinc/65/57/97/693655797.db2.gz MUEWSBXSKIZAIC-SFHVURJKSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001400075941 1161647625 /nfs/dbraw/zinc/64/76/25/1161647625.db2.gz BEYWWLUNMRTHTP-AWEZNQCLSA-N 1 3 315.889 2.297 20 30 DEEDHO C=C(Cl)CN[C@@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001424576242 1173839387 /nfs/dbraw/zinc/83/93/87/1173839387.db2.gz KMFVHTZLKVRRLC-AWEZNQCLSA-N 1 3 313.873 2.099 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001439766097 1181227011 /nfs/dbraw/zinc/22/70/11/1181227011.db2.gz UHTXKUYGODVMMG-KBPBESRZSA-N 1 3 301.862 2.048 20 30 DEEDHO C=C(C)CN1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001332217563 1149836069 /nfs/dbraw/zinc/83/60/69/1149836069.db2.gz IHRRNEIQDYLNKI-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001333398522 1150045417 /nfs/dbraw/zinc/04/54/17/1150045417.db2.gz AHJQIHNFERVFHO-DLBZAZTESA-N 1 3 319.493 2.431 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001333398522 1150045422 /nfs/dbraw/zinc/04/54/22/1150045422.db2.gz AHJQIHNFERVFHO-DLBZAZTESA-N 1 3 319.493 2.431 20 30 DEEDHO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203524421 783003120 /nfs/dbraw/zinc/00/31/20/783003120.db2.gz VGRLONGIQOWHPN-JKSUJKDBSA-N 1 3 307.482 2.311 20 30 DEEDHO C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2CC)CC(C)(C)C1 ZINC001089565439 783213842 /nfs/dbraw/zinc/21/38/42/783213842.db2.gz SAYXSWKIZWXQGE-SJORKVTESA-N 1 3 319.493 2.101 20 30 DEEDHO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2CC)CC(C)(C)C1 ZINC001089565439 783213848 /nfs/dbraw/zinc/21/38/48/783213848.db2.gz SAYXSWKIZWXQGE-SJORKVTESA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001104681992 778020417 /nfs/dbraw/zinc/02/04/17/778020417.db2.gz WISLGNKVKXAJPH-KZNAEPCWSA-N 1 3 321.509 2.369 20 30 DEEDHO C[NH+]1CCC(CCN2CCN(c3ccccc3C#N)CC2)CC1 ZINC001207479551 778285395 /nfs/dbraw/zinc/28/53/95/778285395.db2.gz KABOHIYKSJKCBY-UHFFFAOYSA-N 1 3 312.461 2.412 20 30 DEEDHO CC[NH+](CC)CCC[C@H](C)N1CCC(C#N)(C(=O)OC)CC1 ZINC001167834114 778683682 /nfs/dbraw/zinc/68/36/82/778683682.db2.gz HOOIALSFFLQDAS-HNNXBMFYSA-N 1 3 309.454 2.276 20 30 DEEDHO C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001076161974 781152615 /nfs/dbraw/zinc/15/26/15/781152615.db2.gz XMBYMUMUZQAQSO-RCCFBDPRSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001076161974 781152618 /nfs/dbraw/zinc/15/26/18/781152618.db2.gz XMBYMUMUZQAQSO-RCCFBDPRSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001089732156 783395485 /nfs/dbraw/zinc/39/54/85/783395485.db2.gz NQYJTLTYASZEDD-HOTGVXAUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001089732156 783395492 /nfs/dbraw/zinc/39/54/92/783395492.db2.gz NQYJTLTYASZEDD-HOTGVXAUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001085639042 783915239 /nfs/dbraw/zinc/91/52/39/783915239.db2.gz GVXAQWPPHWBXAV-ZWKOTPCHSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001085639042 783915250 /nfs/dbraw/zinc/91/52/50/783915250.db2.gz GVXAQWPPHWBXAV-ZWKOTPCHSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001108702915 785501653 /nfs/dbraw/zinc/50/16/53/785501653.db2.gz GHEAIADFHPAIOO-ULQDDVLXSA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001086558285 786217740 /nfs/dbraw/zinc/21/77/40/786217740.db2.gz ZIUNELBPIWCVKS-SAABIXHNSA-N 1 3 315.461 2.422 20 30 DEEDHO C=C(C)CN1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132519028 788106931 /nfs/dbraw/zinc/10/69/31/788106931.db2.gz RNYOREUJFBIEJL-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C2 ZINC001097580776 788139467 /nfs/dbraw/zinc/13/94/67/788139467.db2.gz KLKOKCHEMVOVLX-ZJPYXAASSA-N 1 3 317.477 2.158 20 30 DEEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C2 ZINC001097580776 788139473 /nfs/dbraw/zinc/13/94/73/788139473.db2.gz KLKOKCHEMVOVLX-ZJPYXAASSA-N 1 3 317.477 2.158 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1C ZINC001133194548 788314595 /nfs/dbraw/zinc/31/45/95/788314595.db2.gz HFXSFOZNTPHHSG-ZWKOTPCHSA-N 1 3 321.509 2.369 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001086712280 788610038 /nfs/dbraw/zinc/61/00/38/788610038.db2.gz YISOCNVWXVPASX-GVDBMIGSSA-N 1 3 307.482 2.311 20 30 DEEDHO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134370099 788900650 /nfs/dbraw/zinc/90/06/50/788900650.db2.gz XLCUVHBWPDTPNB-HOTGVXAUSA-N 1 3 307.482 2.147 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001147725071 791607006 /nfs/dbraw/zinc/60/70/06/791607006.db2.gz RIMJEXCCHQQEBO-INIZCTEOSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001147725071 791607008 /nfs/dbraw/zinc/60/70/08/791607008.db2.gz RIMJEXCCHQQEBO-INIZCTEOSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315876 791737413 /nfs/dbraw/zinc/73/74/13/791737413.db2.gz YTXBSYODAZVNNP-UHFFFAOYSA-N 1 3 307.482 2.075 20 30 DEEDHO C=C(C)C[N@@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315876 791737416 /nfs/dbraw/zinc/73/74/16/791737416.db2.gz YTXBSYODAZVNNP-UHFFFAOYSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C(C)C ZINC001099553708 792239164 /nfs/dbraw/zinc/23/91/64/792239164.db2.gz VRAPZZXNQCDTMT-MLHJIOFPSA-N 1 3 319.493 2.072 20 30 DEEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C(C)C ZINC001099553708 792239172 /nfs/dbraw/zinc/23/91/72/792239172.db2.gz VRAPZZXNQCDTMT-MLHJIOFPSA-N 1 3 319.493 2.072 20 30 DEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CC2CCCCC2)CC1 ZINC001176926406 794529522 /nfs/dbraw/zinc/52/95/22/794529522.db2.gz KXDAQEDKMQQETB-UHFFFAOYSA-N 1 3 319.493 2.008 20 30 DEEDHO C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CN(C)C(C)C ZINC001177488923 794680586 /nfs/dbraw/zinc/68/05/86/794680586.db2.gz OONNSFFIFMLYGI-UHFFFAOYSA-N 1 3 321.509 2.348 20 30 DEEDHO CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001115299690 794727088 /nfs/dbraw/zinc/72/70/88/794727088.db2.gz DDUKZPZINATWRV-VQFNDLOPSA-N 1 3 309.498 2.343 20 30 DEEDHO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001115299690 794727092 /nfs/dbraw/zinc/72/70/92/794727092.db2.gz DDUKZPZINATWRV-VQFNDLOPSA-N 1 3 309.498 2.343 20 30 DEEDHO C=C(C)C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCCCC1 ZINC001115573676 794825988 /nfs/dbraw/zinc/82/59/88/794825988.db2.gz STGBFMPPXOLHOD-UHFFFAOYSA-N 1 3 307.482 2.456 20 30 DEEDHO C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001181755826 795533476 /nfs/dbraw/zinc/53/34/76/795533476.db2.gz XMSXAEMKESAYTP-SZVBFZGTSA-N 1 3 321.509 2.367 20 30 DEEDHO C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001121289587 795613010 /nfs/dbraw/zinc/61/30/10/795613010.db2.gz YTFCQICUNABVES-LMBQMVEXSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCCC[C@H](N)C(=O)N1C[C@@H](CC[NH3+])Cc2ccccc21 ZINC001122336293 795748707 /nfs/dbraw/zinc/74/87/07/795748707.db2.gz UZANXMPXZDDROA-HOCLYGCPSA-N 1 3 301.434 2.224 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001183228598 795828989 /nfs/dbraw/zinc/82/89/89/795828989.db2.gz MSTZOAHFMCDVSZ-CZUORRHYSA-N 1 3 315.889 2.155 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001184555841 796083351 /nfs/dbraw/zinc/08/33/51/796083351.db2.gz MIPFZJCQLIJQPM-HOTGVXAUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001184555842 796083604 /nfs/dbraw/zinc/08/36/04/796083604.db2.gz MIPFZJCQLIJQPM-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001185675988 796308103 /nfs/dbraw/zinc/30/81/03/796308103.db2.gz GEFMIXRUORCCQO-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO CC#CCN1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161930739 798970480 /nfs/dbraw/zinc/97/04/80/798970480.db2.gz IDMDURCTSFVXGU-UHFFFAOYSA-N 1 3 317.477 2.024 20 30 DEEDHO CC#CCN1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001161952657 798977675 /nfs/dbraw/zinc/97/76/75/798977675.db2.gz HXPQMQUCPZSKTQ-GOSISDBHSA-N 1 3 317.477 2.023 20 30 DEEDHO CC#CCN1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001161952657 798977677 /nfs/dbraw/zinc/97/76/77/798977677.db2.gz HXPQMQUCPZSKTQ-GOSISDBHSA-N 1 3 317.477 2.023 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N(C)CC ZINC001114488454 799148107 /nfs/dbraw/zinc/14/81/07/799148107.db2.gz NQUOVJBQXRHDPI-WCVJEAGWSA-N 1 3 307.482 2.118 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N(C)CC ZINC001114488454 799148109 /nfs/dbraw/zinc/14/81/09/799148109.db2.gz NQUOVJBQXRHDPI-WCVJEAGWSA-N 1 3 307.482 2.118 20 30 DEEDHO C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001165484302 799735974 /nfs/dbraw/zinc/73/59/74/799735974.db2.gz CEZXHYRFFRPSDM-MRXNPFEDSA-N 1 3 307.482 2.169 20 30 DEEDHO CSc1nc(CN2CCC[C@H](C[NH3+])[C@@H](C)C2)ccc1C#N ZINC001206003824 800456083 /nfs/dbraw/zinc/45/60/83/800456083.db2.gz MWWXTVGBENIMJF-QWHCGFSZSA-N 1 3 304.463 2.482 20 30 DEEDHO C[NH+](C)CCCN1CCN(CCCc2ccc(C#N)cc2)CC1 ZINC001208862745 801081334 /nfs/dbraw/zinc/08/13/34/801081334.db2.gz PCMDEFFSOZQDMA-UHFFFAOYSA-N 1 3 314.477 2.060 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230610443 801435395 /nfs/dbraw/zinc/43/53/95/801435395.db2.gz AZIMRXHSMKCMIT-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230610443 801435399 /nfs/dbraw/zinc/43/53/99/801435399.db2.gz AZIMRXHSMKCMIT-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1c(C#N)ccc(F)c1F ZINC001219316612 802310032 /nfs/dbraw/zinc/31/00/32/802310032.db2.gz BDAYYYBEZADGNQ-ZDUSSCGKSA-N 1 3 324.375 2.271 20 30 DEEDHO C#CCN(C)CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001327252412 1148405884 /nfs/dbraw/zinc/40/58/84/1148405884.db2.gz OXDQLTCNGHZGTQ-GOSISDBHSA-N 1 3 319.493 2.197 20 30 DEEDHO C#CCN(C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001327252412 1148405888 /nfs/dbraw/zinc/40/58/88/1148405888.db2.gz OXDQLTCNGHZGTQ-GOSISDBHSA-N 1 3 319.493 2.197 20 30 DEEDHO C=CCN(C)CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001467727669 1059690710 /nfs/dbraw/zinc/69/07/10/1059690710.db2.gz OSDLOWNGXPUHQV-KRWDZBQOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCN(C)CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001467727669 1059690719 /nfs/dbraw/zinc/69/07/19/1059690719.db2.gz OSDLOWNGXPUHQV-KRWDZBQOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001505473811 1060643273 /nfs/dbraw/zinc/64/32/73/1060643273.db2.gz YQRZAKBHKFYSPV-DLBZAZTESA-N 1 3 307.482 2.075 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001505473811 1060643275 /nfs/dbraw/zinc/64/32/75/1060643275.db2.gz YQRZAKBHKFYSPV-DLBZAZTESA-N 1 3 307.482 2.075 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCCCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001479687533 1061599705 /nfs/dbraw/zinc/59/97/05/1061599705.db2.gz IRZLHRHBZXUPIH-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCCN1C(C)C)C(C)(C)C ZINC001508020132 1063498666 /nfs/dbraw/zinc/49/86/66/1063498666.db2.gz FNSZEDUTLBRYER-IRXDYDNUSA-N 1 3 321.509 2.393 20 30 DEEDHO C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001493850107 1063991279 /nfs/dbraw/zinc/99/12/79/1063991279.db2.gz OPXBFUULXRQLFK-NVXWUHKLSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001567701233 1064358032 /nfs/dbraw/zinc/35/80/32/1064358032.db2.gz FINCYHYEJADSCL-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001567701233 1064358037 /nfs/dbraw/zinc/35/80/37/1064358037.db2.gz FINCYHYEJADSCL-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(Cl)C[NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001568090280 1064640434 /nfs/dbraw/zinc/64/04/34/1064640434.db2.gz BRLNWUYFJBWBHH-OAHLLOKOSA-N 1 3 313.873 2.051 20 30 DEEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001568357924 1064802058 /nfs/dbraw/zinc/80/20/58/1064802058.db2.gz NLIFMBPUWLBAEF-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001568513430 1064925035 /nfs/dbraw/zinc/92/50/35/1064925035.db2.gz LFQDKXKGNAUDQM-FUHWJXTLSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001568513430 1064925046 /nfs/dbraw/zinc/92/50/46/1064925046.db2.gz LFQDKXKGNAUDQM-FUHWJXTLSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001569210891 1065368097 /nfs/dbraw/zinc/36/80/97/1065368097.db2.gz GFWIOZQRDTYWIZ-CQSZACIVSA-N 1 3 301.862 2.051 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001569210891 1065368110 /nfs/dbraw/zinc/36/81/10/1065368110.db2.gz GFWIOZQRDTYWIZ-CQSZACIVSA-N 1 3 301.862 2.051 20 30 DEEDHO C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001570005141 1065875261 /nfs/dbraw/zinc/87/52/61/1065875261.db2.gz MEGHQKLCNUFAQP-IRXDYDNUSA-N 1 3 307.482 2.123 20 30 DEEDHO CC#CC[N@H+]1CCC[C@@H](NC(=O)CN(C)CCCCCC)CC1 ZINC001570184939 1065959618 /nfs/dbraw/zinc/95/96/18/1065959618.db2.gz BAKCQUYLKQITKM-GOSISDBHSA-N 1 3 321.509 2.493 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)CCCCCC)CC1 ZINC001570184939 1065959624 /nfs/dbraw/zinc/95/96/24/1065959624.db2.gz BAKCQUYLKQITKM-GOSISDBHSA-N 1 3 321.509 2.493 20 30 DEEDHO C#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001570505267 1066099936 /nfs/dbraw/zinc/09/99/36/1066099936.db2.gz UFCRRNQXZJVWBN-SFHVURJKSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001570505267 1066099946 /nfs/dbraw/zinc/09/99/46/1066099946.db2.gz UFCRRNQXZJVWBN-SFHVURJKSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001570550703 1068000907 /nfs/dbraw/zinc/00/09/07/1068000907.db2.gz DCCFGUNGHOQASU-MSOLQXFVSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001570550703 1068000921 /nfs/dbraw/zinc/00/09/21/1068000921.db2.gz DCCFGUNGHOQASU-MSOLQXFVSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001570550704 1068001440 /nfs/dbraw/zinc/00/14/40/1068001440.db2.gz DCCFGUNGHOQASU-QZTJIDSGSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001570550704 1068001454 /nfs/dbraw/zinc/00/14/54/1068001454.db2.gz DCCFGUNGHOQASU-QZTJIDSGSA-N 1 3 321.509 2.465 20 30 DEEDHO C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001571326723 1068222421 /nfs/dbraw/zinc/22/24/21/1068222421.db2.gz ZXVCXMIRTRCSPJ-GJZGRUSLSA-N 1 3 315.889 2.488 20 30 DEEDHO C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC)N(CC)CC)CCC[C@H]12 ZINC001571503704 1068361908 /nfs/dbraw/zinc/36/19/08/1068361908.db2.gz UUMCILLNHIJJLV-JENIJYKNSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H](CC)N(CC)CC)CCC[C@H]12 ZINC001571503704 1068361921 /nfs/dbraw/zinc/36/19/21/1068361921.db2.gz UUMCILLNHIJJLV-JENIJYKNSA-N 1 3 319.493 2.243 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001267566750 1079001772 /nfs/dbraw/zinc/00/17/72/1079001772.db2.gz GNMZPYWLRILLAW-HNNXBMFYSA-N 1 3 304.438 2.055 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001267566750 1079001780 /nfs/dbraw/zinc/00/17/80/1079001780.db2.gz GNMZPYWLRILLAW-HNNXBMFYSA-N 1 3 304.438 2.055 20 30 DEEDHO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)CCC)C2 ZINC001484022778 1079248281 /nfs/dbraw/zinc/24/82/81/1079248281.db2.gz OSGBCJOLEDJYFP-IBGZPJMESA-N 1 3 319.493 2.056 20 30 DEEDHO CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)CCC)C2 ZINC001484022778 1079248284 /nfs/dbraw/zinc/24/82/84/1079248284.db2.gz OSGBCJOLEDJYFP-IBGZPJMESA-N 1 3 319.493 2.056 20 30 DEEDHO C=CC[N@@H+](CCCNC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001566598748 1075293467 /nfs/dbraw/zinc/29/34/67/1075293467.db2.gz ZLRWCPYKMSDGTF-KRWDZBQOSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[N@H+](CCCNC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001566598748 1075293469 /nfs/dbraw/zinc/29/34/69/1075293469.db2.gz ZLRWCPYKMSDGTF-KRWDZBQOSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001566939435 1075393755 /nfs/dbraw/zinc/39/37/55/1075393755.db2.gz ANYHERRJSJZEMH-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[NH2+][C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001567054442 1075424073 /nfs/dbraw/zinc/42/40/73/1075424073.db2.gz RLELFCMBXCORKT-PBHICJAKSA-N 1 3 313.461 2.259 20 30 DEEDHO C=CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001267912481 1079596897 /nfs/dbraw/zinc/59/68/97/1079596897.db2.gz RXKKUPANMLCDCT-QGZVFWFLSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCCCC)CC1 ZINC001485230200 1080078011 /nfs/dbraw/zinc/07/80/11/1080078011.db2.gz QWROFEXKTJNBFX-HZPDHXFCSA-N 1 3 307.482 2.005 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCCCC)CC1 ZINC001485230199 1080078038 /nfs/dbraw/zinc/07/80/38/1080078038.db2.gz QWROFEXKTJNBFX-HOTGVXAUSA-N 1 3 307.482 2.005 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001661925319 1080545632 /nfs/dbraw/zinc/54/56/32/1080545632.db2.gz DCHJIEQBXHSCHL-QGZVFWFLSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001482172056 1080877972 /nfs/dbraw/zinc/87/79/72/1080877972.db2.gz MVDFAEBZUDKTBD-CYBMUJFWSA-N 1 3 323.868 2.456 20 30 DEEDHO C=C(C)C[NH2+][C@@H](CNC(=O)[C@H](CC)N(C)C)c1ccccc1 ZINC001664593546 1080929990 /nfs/dbraw/zinc/92/99/90/1080929990.db2.gz ZWLGNVQEBVRGSN-IRXDYDNUSA-N 1 3 303.450 2.350 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001664760812 1080957296 /nfs/dbraw/zinc/95/72/96/1080957296.db2.gz ZGLHDGHUMRYESH-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001664760812 1080957303 /nfs/dbraw/zinc/95/73/03/1080957303.db2.gz ZGLHDGHUMRYESH-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)C(C)C ZINC001667498151 1081258747 /nfs/dbraw/zinc/25/87/47/1081258747.db2.gz IORSDEWXCSBIGJ-DLBZAZTESA-N 1 3 307.482 2.003 20 30 DEEDHO C#CCN(C(=O)[C@H](CC)N(C)C)C1CC[NH+](CCC2CC2)CC1 ZINC001671491760 1081519512 /nfs/dbraw/zinc/51/95/12/1081519512.db2.gz IXSBSMHICDWXRO-SFHVURJKSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001672315325 1081582330 /nfs/dbraw/zinc/58/23/30/1081582330.db2.gz KENUHARKEBJPOA-HOTGVXAUSA-N 1 3 309.498 2.225 20 30 DEEDHO C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCCN2CCC)CCCC1 ZINC001270749125 1081624222 /nfs/dbraw/zinc/62/42/22/1081624222.db2.gz LFBUFYQXLNRHIC-INIZCTEOSA-N 1 3 307.482 2.456 20 30 DEEDHO C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001674506644 1081885222 /nfs/dbraw/zinc/88/52/22/1081885222.db2.gz YWLPVFNHILNLDP-ROUUACIJSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001674506644 1081885225 /nfs/dbraw/zinc/88/52/25/1081885225.db2.gz YWLPVFNHILNLDP-ROUUACIJSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001266527526 1082112357 /nfs/dbraw/zinc/11/23/57/1082112357.db2.gz XXWHOHGXKKGHOD-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO CC#CC[NH2+][C@H](CNC(=O)c1cccc(CN(C)C)c1)C(C)C ZINC001271940918 1082201073 /nfs/dbraw/zinc/20/10/73/1082201073.db2.gz MLUJCFRDBWVWDZ-GOSISDBHSA-N 1 3 315.461 2.116 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001276718405 1083567637 /nfs/dbraw/zinc/56/76/37/1083567637.db2.gz SVOJETDKBUTTCN-TVFCKZIOSA-N 1 3 319.493 2.121 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001276718405 1083567645 /nfs/dbraw/zinc/56/76/45/1083567645.db2.gz SVOJETDKBUTTCN-TVFCKZIOSA-N 1 3 319.493 2.121 20 30 DEEDHO CC#CCN1CC[C@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001493222082 1083575685 /nfs/dbraw/zinc/57/56/85/1083575685.db2.gz DHLHADDJEFNHPU-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CCN1CC[C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001493222082 1083575695 /nfs/dbraw/zinc/57/56/95/1083575695.db2.gz DHLHADDJEFNHPU-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CC[NH2+][C@H](CCNC(=O)[C@H]1CCCCN1C(C)C)C(C)C ZINC001277592273 1084048899 /nfs/dbraw/zinc/04/88/99/1084048899.db2.gz XZHUYLDDCCQHBB-IAGOWNOFSA-N 1 3 307.482 2.003 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001491153405 1084112428 /nfs/dbraw/zinc/11/24/28/1084112428.db2.gz KSUPBHXGBTUPKR-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001078626814 1084770811 /nfs/dbraw/zinc/77/08/11/1084770811.db2.gz UXVUXPSWGRWMRO-CVEARBPZSA-N 1 3 319.493 2.454 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001080554614 1089060920 /nfs/dbraw/zinc/06/09/20/1089060920.db2.gz XXKQFMGYYLPMBM-IXDOHACOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001080554614 1089060934 /nfs/dbraw/zinc/06/09/34/1089060934.db2.gz XXKQFMGYYLPMBM-IXDOHACOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001410319076 1090549304 /nfs/dbraw/zinc/54/93/04/1090549304.db2.gz XQRNPGYHGDYACP-GJZGRUSLSA-N 1 3 315.889 2.152 20 30 DEEDHO C=CCN1CC[C@@]2(CC[N@H+](Cc3cc4cnccc4[nH]3)C2)C1=O ZINC001274267309 1091159083 /nfs/dbraw/zinc/15/90/83/1091159083.db2.gz DBUPGWQEERWHAE-GOSISDBHSA-N 1 3 310.401 2.173 20 30 DEEDHO C=CCN1CC[C@@]2(CC[N@@H+](Cc3cc4cnccc4[nH]3)C2)C1=O ZINC001274267309 1091159091 /nfs/dbraw/zinc/15/90/91/1091159091.db2.gz DBUPGWQEERWHAE-GOSISDBHSA-N 1 3 310.401 2.173 20 30 DEEDHO CC#CC[NH+]1CCC2(CCN(C(=O)CN(C)C(C)C)CC2)CC1 ZINC001274886071 1091457544 /nfs/dbraw/zinc/45/75/44/1091457544.db2.gz ZHLMRQIQKYUCKC-UHFFFAOYSA-N 1 3 319.493 2.055 20 30 DEEDHO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001275928558 1092324844 /nfs/dbraw/zinc/32/48/44/1092324844.db2.gz OCIGKKRDIVAGMZ-PBHICJAKSA-N 1 3 313.461 2.212 20 30 DEEDHO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001275928558 1092324860 /nfs/dbraw/zinc/32/48/60/1092324860.db2.gz OCIGKKRDIVAGMZ-PBHICJAKSA-N 1 3 313.461 2.212 20 30 DEEDHO C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001488689264 1092687433 /nfs/dbraw/zinc/68/74/33/1092687433.db2.gz KVZZWQBIVMJJDT-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001488689264 1092687437 /nfs/dbraw/zinc/68/74/37/1092687437.db2.gz KVZZWQBIVMJJDT-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001493163224 1093277740 /nfs/dbraw/zinc/27/77/40/1093277740.db2.gz UDRXZVDKGINXNZ-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001490580380 1093428190 /nfs/dbraw/zinc/42/81/90/1093428190.db2.gz YSHPDURFKUFEHU-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001490580380 1093428197 /nfs/dbraw/zinc/42/81/97/1093428197.db2.gz YSHPDURFKUFEHU-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CCCC1 ZINC001278259189 1138862674 /nfs/dbraw/zinc/86/26/74/1138862674.db2.gz LUQVIRMTHKMTPP-MRXNPFEDSA-N 1 3 307.482 2.311 20 30 DEEDHO C#CC[NH2+]C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C1CCCC1 ZINC001278276894 1138872834 /nfs/dbraw/zinc/87/28/34/1138872834.db2.gz ZCJBWZQUIQPPFL-SJLPKXTDSA-N 1 3 319.493 2.149 20 30 DEEDHO CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)CC1 ZINC001316668721 1140308816 /nfs/dbraw/zinc/30/88/16/1140308816.db2.gz KFDPMOKVTSWPQS-QGZVFWFLSA-N 1 3 319.493 2.053 20 30 DEEDHO CC#CC[NH2+]CC[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001318838056 1140431287 /nfs/dbraw/zinc/43/12/87/1140431287.db2.gz SUFIZCGVYGMDDS-QGZVFWFLSA-N 1 3 321.509 2.206 20 30 DEEDHO C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001318851600 1140436333 /nfs/dbraw/zinc/43/63/33/1140436333.db2.gz TXMZJOHSUVBJTC-SJORKVTESA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)C[NH+]1CCC(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001319040324 1140494045 /nfs/dbraw/zinc/49/40/45/1140494045.db2.gz YBARDRVKEQRBLF-UHFFFAOYSA-N 1 3 304.438 2.055 20 30 DEEDHO CC(=O)n1ccc2cc(C[C@@H](C)[NH2+]C3CCNCC3)cc(C#N)c21 ZINC001246328054 1140884616 /nfs/dbraw/zinc/88/46/16/1140884616.db2.gz QEYNBWYOUNHUBC-CYBMUJFWSA-N 1 3 324.428 2.446 20 30 DEEDHO CC(=O)n1ccc2cc(C[C@@H](C)NC3CC[NH2+]CC3)cc(C#N)c21 ZINC001246328054 1140884617 /nfs/dbraw/zinc/88/46/17/1140884617.db2.gz QEYNBWYOUNHUBC-CYBMUJFWSA-N 1 3 324.428 2.446 20 30 DEEDHO C=C(C)C[NH+]1CCC(C)(NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001324343785 1142059213 /nfs/dbraw/zinc/05/92/13/1142059213.db2.gz UAQFELYBUVJODK-HOTGVXAUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C[C@@](C)(O)CN1CCN(CCC[NH+](CCC)CCC)CC1 ZINC001252558385 1142764840 /nfs/dbraw/zinc/76/48/40/1142764840.db2.gz VHWDYAZZYUZFPF-GOSISDBHSA-N 1 3 311.514 2.053 20 30 DEEDHO C#C[C@@H]1CCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254039442 1143031578 /nfs/dbraw/zinc/03/15/78/1143031578.db2.gz GRDMRFDKRRSMDJ-GOSISDBHSA-N 1 3 312.457 2.359 20 30 DEEDHO C#C[C@@H]1CCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254039442 1143031586 /nfs/dbraw/zinc/03/15/86/1143031586.db2.gz GRDMRFDKRRSMDJ-GOSISDBHSA-N 1 3 312.457 2.359 20 30 DEEDHO C=CCCC[C@H](N)C(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001341894276 1143737791 /nfs/dbraw/zinc/73/77/91/1143737791.db2.gz VWAOWSCDCMJLCL-RYQLBKOJSA-N 1 3 305.466 2.004 20 30 DEEDHO C=CCCC[C@H](N)C(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001341894276 1143737803 /nfs/dbraw/zinc/73/78/03/1143737803.db2.gz VWAOWSCDCMJLCL-RYQLBKOJSA-N 1 3 305.466 2.004 20 30 DEEDHO C=CCCC[NH2+]C1(CC)CCN(C(=O)CN2CCCC2)CC1 ZINC001281050066 1143991923 /nfs/dbraw/zinc/99/19/23/1143991923.db2.gz UCFXJRQGZAOYMC-UHFFFAOYSA-N 1 3 307.482 2.409 20 30 DEEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001264373060 1144518540 /nfs/dbraw/zinc/51/85/40/1144518540.db2.gz QWOXHEZFEADPQK-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN(C)C(C)C)C2)CC1 ZINC001264497321 1144547576 /nfs/dbraw/zinc/54/75/76/1144547576.db2.gz QZJCBRGTPKZUHR-INIZCTEOSA-N 1 3 307.482 2.216 20 30 DEEDHO C#CCN1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001264755370 1144607616 /nfs/dbraw/zinc/60/76/16/1144607616.db2.gz OMXXYXYPVJZHPS-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CCN(C)CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001264986585 1144620009 /nfs/dbraw/zinc/62/00/09/1144620009.db2.gz PYDFYLLDKGYGJW-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CCN(C)CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001264986585 1144620012 /nfs/dbraw/zinc/62/00/12/1144620012.db2.gz PYDFYLLDKGYGJW-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001265087257 1144640652 /nfs/dbraw/zinc/64/06/52/1144640652.db2.gz XHBOSQBWXLZHBB-DOTOQJQBSA-N 1 3 307.482 2.406 20 30 DEEDHO C#CCN(CCCNC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001266150183 1144809964 /nfs/dbraw/zinc/80/99/64/1144809964.db2.gz URXPRLBIANSKOR-UHFFFAOYSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CCN1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001281559636 1144897312 /nfs/dbraw/zinc/89/73/12/1144897312.db2.gz XYXCFRFOZFXZCS-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001281559636 1144897313 /nfs/dbraw/zinc/89/73/13/1144897313.db2.gz XYXCFRFOZFXZCS-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001316626739 1145405746 /nfs/dbraw/zinc/40/57/46/1145405746.db2.gz ZQDJJDYLDRONDJ-YUELXQCFSA-N 1 3 304.438 2.100 20 30 DEEDHO C#CCCN1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001316947330 1147636966 /nfs/dbraw/zinc/63/69/66/1147636966.db2.gz KEZIBXPYQQKHFQ-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001317407845 1147702285 /nfs/dbraw/zinc/70/22/85/1147702285.db2.gz ZGPJJMQGWCTIFM-WMLDXEAASA-N 1 3 313.461 2.259 20 30 DEEDHO C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+]1CCC2 ZINC001318204930 1147796605 /nfs/dbraw/zinc/79/66/05/1147796605.db2.gz VVBRGFRCSJDBRQ-IKGGRYGDSA-N 1 3 317.477 2.255 20 30 DEEDHO C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001324786793 1147844553 /nfs/dbraw/zinc/84/45/53/1147844553.db2.gz ALDWTOSGMNBVQC-SFHVURJKSA-N 1 3 309.498 2.369 20 30 DEEDHO CC[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)N1CCCC1 ZINC000083031391 355462282 /nfs/dbraw/zinc/46/22/82/355462282.db2.gz ZBWXZAFJQRXBAE-ZBFHGGJFSA-N 1 3 316.449 2.289 20 30 DEEDHO N#Cc1cccc(CN2CCC([NH2+][C@H]3CCC[C@@H](N)C3)CC2)c1 ZINC000594581094 358296763 /nfs/dbraw/zinc/29/67/63/358296763.db2.gz NMHSWKPVCSIZEF-MJGOQNOKSA-N 1 3 312.461 2.382 20 30 DEEDHO N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[C@@H](N)C3)CC2)c1 ZINC000594581093 358296928 /nfs/dbraw/zinc/29/69/28/358296928.db2.gz NMHSWKPVCSIZEF-IEBWSBKVSA-N 1 3 312.461 2.382 20 30 DEEDHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000619423550 363789666 /nfs/dbraw/zinc/78/96/66/363789666.db2.gz INTFOTGLDDYIJB-ZWKOTPCHSA-N 1 3 324.428 2.230 20 30 DEEDHO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H](O)CN1CCCC1 ZINC000619508227 363815579 /nfs/dbraw/zinc/81/55/79/363815579.db2.gz VRTINICRXSUSDE-PKOBYXMFSA-N 1 3 313.445 2.372 20 30 DEEDHO C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(CC[NH+](C)C)CC1 ZINC000056523171 184015188 /nfs/dbraw/zinc/01/51/88/184015188.db2.gz HGTYJRJDVCOYNF-MRXNPFEDSA-N 1 3 307.482 2.239 20 30 DEEDHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000538397941 285034383 /nfs/dbraw/zinc/03/43/83/285034383.db2.gz GGFWKTLXVYQSEC-INIZCTEOSA-N 1 3 300.450 2.236 20 30 DEEDHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(C#N)c(F)c1 ZINC000192134697 145071821 /nfs/dbraw/zinc/07/18/21/145071821.db2.gz UKZKSCZKXWRROA-UHFFFAOYSA-N 1 3 318.440 2.155 20 30 DEEDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(C#N)c(F)c1 ZINC000271942566 402886215 /nfs/dbraw/zinc/88/62/15/402886215.db2.gz MGQXFOACONWTKZ-CQSZACIVSA-N 1 3 318.440 2.374 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000280674429 403025975 /nfs/dbraw/zinc/02/59/75/403025975.db2.gz YUJNZAWMRDZTJY-RBSFLKMASA-N 1 3 318.440 2.460 20 30 DEEDHO C=C(C)CNC(=[NH2+])NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000283826799 403226466 /nfs/dbraw/zinc/22/64/66/403226466.db2.gz DRQWFMMZHDMHJF-UHFFFAOYSA-N 1 3 316.449 2.140 20 30 DEEDHO COc1ccc(C[NH2+]CCCN2CCCO[C@@H](C)C2)cc1C#N ZINC000278017656 403280082 /nfs/dbraw/zinc/28/00/82/403280082.db2.gz WGEDIHVFXVZWHJ-HNNXBMFYSA-N 1 3 317.433 2.157 20 30 DEEDHO C#CCN(C)CCC[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000295070487 403750844 /nfs/dbraw/zinc/75/08/44/403750844.db2.gz RZVPJWRHBHYGKJ-UYAOXDASSA-N 1 3 313.489 2.442 20 30 DEEDHO C=CCCC1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000355447375 404335831 /nfs/dbraw/zinc/33/58/31/404335831.db2.gz SGWHHFMCJAWDNF-UHFFFAOYSA-N 1 3 319.493 2.408 20 30 DEEDHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](N)CCCC#N ZINC000424145502 405021193 /nfs/dbraw/zinc/02/11/93/405021193.db2.gz YXHUMUQTVAMYQB-KRWDZBQOSA-N 1 3 316.449 2.166 20 30 DEEDHO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424154379 405024371 /nfs/dbraw/zinc/02/43/71/405024371.db2.gz LSFWELCAKWTGPE-GDBMZVCRSA-N 1 3 316.449 2.253 20 30 DEEDHO C=C(C)CN(CC)C(=O)[C@H](C)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639759680 406237549 /nfs/dbraw/zinc/23/75/49/406237549.db2.gz GIOIXYNVUZFCBO-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCc1ccccc1OC[C@@H](O)CNC1CC[NH+](CC)CC1 ZINC000569837435 406310788 /nfs/dbraw/zinc/31/07/88/406310788.db2.gz PVHMRXXNCVVPLZ-SFHVURJKSA-N 1 3 318.461 2.229 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001328260209 1148756334 /nfs/dbraw/zinc/75/63/34/1148756334.db2.gz RUKIPJARYYJYBU-HOTGVXAUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001328260209 1148756340 /nfs/dbraw/zinc/75/63/40/1148756340.db2.gz RUKIPJARYYJYBU-HOTGVXAUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)C1 ZINC000651746387 425145621 /nfs/dbraw/zinc/14/56/21/425145621.db2.gz PELHMKQPQMDRSH-IKGGRYGDSA-N 1 3 309.498 2.413 20 30 DEEDHO C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CC[NH2+]C1 ZINC000422983196 274525550 /nfs/dbraw/zinc/52/55/50/274525550.db2.gz YWPDFHBLPSSLER-BPUTZDHNSA-N 1 3 316.424 2.254 20 30 DEEDHO CC[NH+](CC)C[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349856063 276103508 /nfs/dbraw/zinc/10/35/08/276103508.db2.gz YSMGNVFVIMVLLZ-PBHICJAKSA-N 1 3 312.417 2.087 20 30 DEEDHO C[C@@H]1CN(CC2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)C[C@@H](C)O1 ZINC000429684906 288153432 /nfs/dbraw/zinc/15/34/32/288153432.db2.gz NSELJFHWVRXRJG-XYVMCAHJSA-N 1 3 305.466 2.500 20 30 DEEDHO C=CCCC[C@@H]([NH3+])C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC001357428315 1152297366 /nfs/dbraw/zinc/29/73/66/1152297366.db2.gz LSBAZCHHCDFJIR-HUUCEWRRSA-N 1 3 317.433 2.026 20 30 DEEDHO C[NH+]=C(NCC1(N(C)C)CCCCC1)N(C)Cc1cccn1C ZINC000261974465 526350752 /nfs/dbraw/zinc/35/07/52/526350752.db2.gz NKGRWFSGVHOPFF-UHFFFAOYSA-N 1 3 319.497 2.297 20 30 DEEDHO C[NH+]=C(NCc1c(C)noc1C)NCC1(N(C)C)CCCCC1 ZINC000262011054 526380085 /nfs/dbraw/zinc/38/00/85/526380085.db2.gz VCJSLSQYGKNCLJ-UHFFFAOYSA-N 1 3 321.469 2.221 20 30 DEEDHO C#CCN(C)CCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000294869025 526829733 /nfs/dbraw/zinc/82/97/33/526829733.db2.gz CONRVJMEGXCPIX-QUCCMNQESA-N 1 3 313.489 2.442 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CSc2ccccc21 ZINC000263123950 529100323 /nfs/dbraw/zinc/10/03/23/529100323.db2.gz MIAUENJAJRMVRT-KGLIPLIRSA-N 1 3 318.490 2.265 20 30 DEEDHO C=CCN(C)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC000971828865 624619535 /nfs/dbraw/zinc/61/95/35/624619535.db2.gz OKCKBAPRFMUPLN-MRXNPFEDSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCN(C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC000971828865 624619536 /nfs/dbraw/zinc/61/95/36/624619536.db2.gz OKCKBAPRFMUPLN-MRXNPFEDSA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001027693685 634448028 /nfs/dbraw/zinc/44/80/28/634448028.db2.gz GKEUVCPEZVKOBZ-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001027693685 634448031 /nfs/dbraw/zinc/44/80/31/634448031.db2.gz GKEUVCPEZVKOBZ-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(Cl)C[NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000997114680 633593467 /nfs/dbraw/zinc/59/34/67/633593467.db2.gz FMRFHDRJLODDJN-UHFFFAOYSA-N 1 3 313.873 2.051 20 30 DEEDHO C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC000997126895 633613223 /nfs/dbraw/zinc/61/32/23/633613223.db2.gz GHLOSZJHPIVIET-WBVHZDCISA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3nc[nH]c3C)C[C@@H]2C1 ZINC000980228554 634906937 /nfs/dbraw/zinc/90/69/37/634906937.db2.gz GPFQZVOCFNUZJJ-XHSDSOJGSA-N 1 3 316.449 2.053 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3nc[nH]c3C)C[C@@H]2C1 ZINC000980228554 634906939 /nfs/dbraw/zinc/90/69/39/634906939.db2.gz GPFQZVOCFNUZJJ-XHSDSOJGSA-N 1 3 316.449 2.053 20 30 DEEDHO C=CCN1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001000779583 635308663 /nfs/dbraw/zinc/30/86/63/635308663.db2.gz YLWCEAAXKGEOCE-SFHVURJKSA-N 1 3 317.477 2.328 20 30 DEEDHO C=CCN1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001000779583 635308667 /nfs/dbraw/zinc/30/86/67/635308667.db2.gz YLWCEAAXKGEOCE-SFHVURJKSA-N 1 3 317.477 2.328 20 30 DEEDHO C=CCN1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001000779580 635309121 /nfs/dbraw/zinc/30/91/21/635309121.db2.gz YLWCEAAXKGEOCE-GOSISDBHSA-N 1 3 317.477 2.328 20 30 DEEDHO C=CCN1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001000779580 635309131 /nfs/dbraw/zinc/30/91/31/635309131.db2.gz YLWCEAAXKGEOCE-GOSISDBHSA-N 1 3 317.477 2.328 20 30 DEEDHO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000981812660 635666853 /nfs/dbraw/zinc/66/68/53/635666853.db2.gz SBWSPXYLRJPOSK-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000981812660 635666856 /nfs/dbraw/zinc/66/68/56/635666856.db2.gz SBWSPXYLRJPOSK-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC000981825837 635672556 /nfs/dbraw/zinc/67/25/56/635672556.db2.gz QITHMLGOIVDBES-INIZCTEOSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC000981825837 635672560 /nfs/dbraw/zinc/67/25/60/635672560.db2.gz QITHMLGOIVDBES-INIZCTEOSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC000982163804 635890148 /nfs/dbraw/zinc/89/01/48/635890148.db2.gz SWOSPDYVIDUGLY-QGZVFWFLSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982558050 636265272 /nfs/dbraw/zinc/26/52/72/636265272.db2.gz YDBGVMUJKZZHTD-QRQLOZEOSA-N 1 3 319.493 2.075 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982558050 636265275 /nfs/dbraw/zinc/26/52/75/636265275.db2.gz YDBGVMUJKZZHTD-QRQLOZEOSA-N 1 3 319.493 2.075 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001028537249 636329711 /nfs/dbraw/zinc/32/97/11/636329711.db2.gz KOXMBPNIQGPCOC-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001028537249 636329713 /nfs/dbraw/zinc/32/97/13/636329713.db2.gz KOXMBPNIQGPCOC-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004375752 636403767 /nfs/dbraw/zinc/40/37/67/636403767.db2.gz SKGWIZZQONCFIF-ROUUACIJSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004375752 636403771 /nfs/dbraw/zinc/40/37/71/636403771.db2.gz SKGWIZZQONCFIF-ROUUACIJSA-N 1 3 319.493 2.360 20 30 DEEDHO CC#CCN1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001028919364 636853816 /nfs/dbraw/zinc/85/38/16/636853816.db2.gz UOOHWMZEERBNAF-ZWKOTPCHSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CCN1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028919364 636853820 /nfs/dbraw/zinc/85/38/20/636853820.db2.gz UOOHWMZEERBNAF-ZWKOTPCHSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C[C@H]1C ZINC000947980383 637240154 /nfs/dbraw/zinc/24/01/54/637240154.db2.gz PDMGXIQPHOOYSH-HIFRSBDPSA-N 1 3 304.438 2.196 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C[C@H]1C ZINC000947980383 637240156 /nfs/dbraw/zinc/24/01/56/637240156.db2.gz PDMGXIQPHOOYSH-HIFRSBDPSA-N 1 3 304.438 2.196 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H]1C ZINC000986956117 640024203 /nfs/dbraw/zinc/02/42/03/640024203.db2.gz JUEYZZHTDUFHEG-ZIAGYGMSSA-N 1 3 313.873 2.050 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@@H]1C ZINC000986956117 640024207 /nfs/dbraw/zinc/02/42/07/640024207.db2.gz JUEYZZHTDUFHEG-ZIAGYGMSSA-N 1 3 313.873 2.050 20 30 DEEDHO C[N@@H+](Cc1ccccc1)CC1CCN(C[C@H](O)CC#N)CC1 ZINC000809573033 646239893 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C=C(C)CC[NH2+]C1CC2(CC(NC(=O)CN(C)CCC)C2)C1 ZINC001122106449 795726497 /nfs/dbraw/zinc/72/64/97/795726497.db2.gz GNSFPVMBDYKDBO-UHFFFAOYSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001183516902 795878747 /nfs/dbraw/zinc/87/87/47/795878747.db2.gz DTNIFMPSFPKPJP-JFIYKMOQSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203576546 795925766 /nfs/dbraw/zinc/92/57/66/795925766.db2.gz FXIQACKLGOWPDD-UONOGXRCSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203576546 795925768 /nfs/dbraw/zinc/92/57/68/795925768.db2.gz FXIQACKLGOWPDD-UONOGXRCSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001184577886 796087129 /nfs/dbraw/zinc/08/71/29/796087129.db2.gz QAODRMKOCOXLMI-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185761566 796312070 /nfs/dbraw/zinc/31/20/70/796312070.db2.gz HSTLRNXXMFCXRT-ZFWWWQNUSA-N 1 3 315.889 2.153 20 30 DEEDHO C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159628219 798591176 /nfs/dbraw/zinc/59/11/76/798591176.db2.gz FWYJJDKHIBUUNJ-KRWDZBQOSA-N 1 3 305.466 2.185 20 30 DEEDHO C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159628219 798591182 /nfs/dbraw/zinc/59/11/82/798591182.db2.gz FWYJJDKHIBUUNJ-KRWDZBQOSA-N 1 3 305.466 2.185 20 30 DEEDHO C=CCN1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001160132005 798651937 /nfs/dbraw/zinc/65/19/37/798651937.db2.gz ZPIDZBLBSMCROC-MSOLQXFVSA-N 1 3 317.477 2.185 20 30 DEEDHO C=CCN1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001160132005 798651943 /nfs/dbraw/zinc/65/19/43/798651943.db2.gz ZPIDZBLBSMCROC-MSOLQXFVSA-N 1 3 317.477 2.185 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203316661 800036449 /nfs/dbraw/zinc/03/64/49/800036449.db2.gz IJISLKHKHMJTQW-UONOGXRCSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203524056 800069328 /nfs/dbraw/zinc/06/93/28/800069328.db2.gz SXQAHYJFKVOJPU-JKSUJKDBSA-N 1 3 307.482 2.311 20 30 DEEDHO C[NH+](C)CCCN1CCN(CCCc2cccc(C#N)c2)CC1 ZINC001208853114 801079755 /nfs/dbraw/zinc/07/97/55/801079755.db2.gz DNDLGXBWUUKDHG-UHFFFAOYSA-N 1 3 314.477 2.060 20 30 DEEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847362 801765843 /nfs/dbraw/zinc/76/58/43/801765843.db2.gz CLAORYQGCPVXJK-BZUAXINKSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001215778573 801903702 /nfs/dbraw/zinc/90/37/02/801903702.db2.gz SMDBUDBLGAFEIL-BRWVUGGUSA-N 1 3 307.482 2.262 20 30 DEEDHO N#Cc1ccccc1C[C@H]([NH3+])CC(=O)Nc1cccc2c1CNC2 ZINC001218994342 802272128 /nfs/dbraw/zinc/27/21/28/802272128.db2.gz IGKQBYRKWSWTLI-INIZCTEOSA-N 1 3 320.396 2.060 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N(C)CC)C[C@@H]21 ZINC001223024217 802759363 /nfs/dbraw/zinc/75/93/63/802759363.db2.gz VONQWTPCWQKXLB-CVEARBPZSA-N 1 3 307.482 2.216 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N(C)CC)C[C@@H]21 ZINC001223024217 802759368 /nfs/dbraw/zinc/75/93/68/802759368.db2.gz VONQWTPCWQKXLB-CVEARBPZSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489860 802795675 /nfs/dbraw/zinc/79/56/75/802795675.db2.gz ZOECYDANCNAOGE-IKGGRYGDSA-N 1 3 307.482 2.216 20 30 DEEDHO CC#CCN[C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001331529537 1149509955 /nfs/dbraw/zinc/50/99/55/1149509955.db2.gz KVEQPIJSIKJOAR-AEFFLSMTSA-N 1 3 319.493 2.243 20 30 DEEDHO CC#CCN[C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001331529537 1149509989 /nfs/dbraw/zinc/50/99/89/1149509989.db2.gz KVEQPIJSIKJOAR-AEFFLSMTSA-N 1 3 319.493 2.243 20 30 DEEDHO CC#CCN1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001502839052 1060350055 /nfs/dbraw/zinc/35/00/55/1060350055.db2.gz QUBTXRXGELTFSJ-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001505445490 1060608933 /nfs/dbraw/zinc/60/89/33/1060608933.db2.gz WGZZRAHXJCIQPT-IAGOWNOFSA-N 1 3 309.498 2.462 20 30 DEEDHO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001505445490 1060608942 /nfs/dbraw/zinc/60/89/42/1060608942.db2.gz WGZZRAHXJCIQPT-IAGOWNOFSA-N 1 3 309.498 2.462 20 30 DEEDHO C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCN2CCC)C1 ZINC001479687378 1061599215 /nfs/dbraw/zinc/59/92/15/1061599215.db2.gz GARYNMJUSBPHDJ-MSOLQXFVSA-N 1 3 319.493 2.245 20 30 DEEDHO CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001480190345 1062442972 /nfs/dbraw/zinc/44/29/72/1062442972.db2.gz ZVJBHTKUQNHSTF-MSOLQXFVSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCCN1C(C)C ZINC001480362790 1062715350 /nfs/dbraw/zinc/71/53/50/1062715350.db2.gz MVQJVZPMOKJDAM-QZTJIDSGSA-N 1 3 319.493 2.243 20 30 DEEDHO C=CCN1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001507386505 1063208797 /nfs/dbraw/zinc/20/87/97/1063208797.db2.gz LZSIESDYPVKJER-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CN(CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001567456149 1064206390 /nfs/dbraw/zinc/20/63/90/1064206390.db2.gz QNKRMAFVVGZMOY-KRWDZBQOSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@]2(C[NH2+]CC)CCCC[C@H]2C)CC1 ZINC001568043517 1064615622 /nfs/dbraw/zinc/61/56/22/1064615622.db2.gz LOKKYMWEAOFIPZ-APWZRJJASA-N 1 3 319.493 2.006 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@]2(C[NH2+]CC)CCCC[C@@H]2C)CC1 ZINC001568043519 1064615722 /nfs/dbraw/zinc/61/57/22/1064615722.db2.gz LOKKYMWEAOFIPZ-QFBILLFUSA-N 1 3 319.493 2.006 20 30 DEEDHO C=C(Cl)CNC[C@]1(NC(=O)CC[NH+](C)C)CCCC[C@H]1C ZINC001495319563 1064828555 /nfs/dbraw/zinc/82/85/55/1064828555.db2.gz HJCYCANFALJWPQ-CZUORRHYSA-N 1 3 315.889 2.345 20 30 DEEDHO C#CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)C1CCCCCC1 ZINC001569450870 1065514550 /nfs/dbraw/zinc/51/45/50/1065514550.db2.gz NFODVQMAVVSNHX-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)C1CCCCCC1 ZINC001569450870 1065514562 /nfs/dbraw/zinc/51/45/62/1065514562.db2.gz NFODVQMAVVSNHX-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001497265965 1065998097 /nfs/dbraw/zinc/99/80/97/1065998097.db2.gz BQXAGEPFWFFJST-ZDUSSCGKSA-N 1 3 303.878 2.201 20 30 DEEDHO C=C(C)CC[NH2+]C1(CNC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001670868102 1078644198 /nfs/dbraw/zinc/64/41/98/1078644198.db2.gz GGHABFCYFQHCNG-MRXNPFEDSA-N 1 3 307.482 2.456 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]21 ZINC001571508291 1068368384 /nfs/dbraw/zinc/36/83/84/1068368384.db2.gz CVMGKVBUHKDXEO-YESZJQIVSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCCCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001571660645 1068466734 /nfs/dbraw/zinc/46/67/34/1068466734.db2.gz KXIJCCJEOKMFFX-OFLPRAFFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001267302964 1078749174 /nfs/dbraw/zinc/74/91/74/1078749174.db2.gz JCRBAVQFPINYKS-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001267302964 1078749180 /nfs/dbraw/zinc/74/91/80/1078749180.db2.gz JCRBAVQFPINYKS-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCN(C(=O)CCCCC1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001574583720 1069241086 /nfs/dbraw/zinc/24/10/86/1069241086.db2.gz METNNMHLSJFDFC-UHFFFAOYSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CCN1CCC([C@H](C)NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001279163682 1078890828 /nfs/dbraw/zinc/89/08/28/1078890828.db2.gz CDGLBUDXOYURCP-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001267591130 1079103884 /nfs/dbraw/zinc/10/38/84/1079103884.db2.gz AIVULHSOOYRDCW-SFHVURJKSA-N 1 3 321.509 2.465 20 30 DEEDHO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001267591130 1079103887 /nfs/dbraw/zinc/10/38/87/1079103887.db2.gz AIVULHSOOYRDCW-SFHVURJKSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001484113199 1079305356 /nfs/dbraw/zinc/30/53/56/1079305356.db2.gz DRMYHFYMSIGGMX-PBHICJAKSA-N 1 3 304.438 2.135 20 30 DEEDHO C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001484136333 1079316881 /nfs/dbraw/zinc/31/68/81/1079316881.db2.gz CKNJUPRMHPDVPK-INIZCTEOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCC[NH2+][C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001567054444 1075423989 /nfs/dbraw/zinc/42/39/89/1075423989.db2.gz RLELFCMBXCORKT-WMLDXEAASA-N 1 3 313.461 2.259 20 30 DEEDHO C=C(C)C[NH2+]CC1CC(NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001485092232 1079976227 /nfs/dbraw/zinc/97/62/27/1079976227.db2.gz LAOHALATKGQAJJ-UHFFFAOYSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)C[NH2+][C@H](CCN(C)C(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001485437656 1080206978 /nfs/dbraw/zinc/20/69/78/1080206978.db2.gz JKFXOVUDMNJGTP-IAGOWNOFSA-N 1 3 309.498 2.367 20 30 DEEDHO C#CC[NH2+]CC1(NC(=O)CN(C)CC(C)(C)C)CCCCC1 ZINC001485455649 1080216841 /nfs/dbraw/zinc/21/68/41/1080216841.db2.gz QSNBPSXHKYAXSS-UHFFFAOYSA-N 1 3 307.482 2.006 20 30 DEEDHO C#CCCN1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481753354 1080440784 /nfs/dbraw/zinc/44/07/84/1080440784.db2.gz SVYNURZWHOJDEC-ROUUACIJSA-N 1 3 319.493 2.053 20 30 DEEDHO CC#CC[NH2+]C[C@]1(NC(=O)CN(C)C(C)C)CCCC[C@@H]1C ZINC001481964830 1080656224 /nfs/dbraw/zinc/65/62/24/1080656224.db2.gz TWVYRLRFJVIKOR-FUHWJXTLSA-N 1 3 307.482 2.005 20 30 DEEDHO C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001481992113 1080675408 /nfs/dbraw/zinc/67/54/08/1080675408.db2.gz UYFWQYDEWVIGNB-ZWKOTPCHSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001481992108 1080675441 /nfs/dbraw/zinc/67/54/41/1080675441.db2.gz UYFWQYDEWVIGNB-MSOLQXFVSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001664457392 1080912889 /nfs/dbraw/zinc/91/28/89/1080912889.db2.gz NLVVUZOPUDKIEW-HOTGVXAUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001664760813 1080957087 /nfs/dbraw/zinc/95/70/87/1080957087.db2.gz ZGLHDGHUMRYESH-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001664760813 1080957093 /nfs/dbraw/zinc/95/70/93/1080957093.db2.gz ZGLHDGHUMRYESH-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001665425037 1081026926 /nfs/dbraw/zinc/02/69/26/1081026926.db2.gz FLYIPZCYUKRLAY-IRXDYDNUSA-N 1 3 319.493 2.338 20 30 DEEDHO C=C(C)C[NH2+]C[C@H](NC(=O)Cc1nc[nH]c1C)C1CCCCC1 ZINC001667150383 1081215977 /nfs/dbraw/zinc/21/59/77/1081215977.db2.gz FCDDEQZDJMRAOK-KRWDZBQOSA-N 1 3 318.465 2.491 20 30 DEEDHO C#CCC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1CCCCC1 ZINC001482411736 1081800401 /nfs/dbraw/zinc/80/04/01/1081800401.db2.gz AAECLBWSIKLVLM-QZTJIDSGSA-N 1 3 321.509 2.251 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001674506643 1081885619 /nfs/dbraw/zinc/88/56/19/1081885619.db2.gz YWLPVFNHILNLDP-QZTJIDSGSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001674506643 1081885625 /nfs/dbraw/zinc/88/56/25/1081885625.db2.gz YWLPVFNHILNLDP-QZTJIDSGSA-N 1 3 321.509 2.463 20 30 DEEDHO C#CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001271665159 1082104724 /nfs/dbraw/zinc/10/47/24/1082104724.db2.gz IQFFRMJBOUSVNS-IRXDYDNUSA-N 1 3 321.509 2.204 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266819983 1082369254 /nfs/dbraw/zinc/36/92/54/1082369254.db2.gz HEKUSQZBGNAJDT-IAGOWNOFSA-N 1 3 309.498 2.367 20 30 DEEDHO Cc1cc(N2CC[C@H]3CN(Cc4cc(C#N)n(C)c4)C[C@H]32)cc[nH+]1 ZINC001277065122 1083756235 /nfs/dbraw/zinc/75/62/35/1083756235.db2.gz VACXHFMHESSVSY-QFBILLFUSA-N 1 3 321.428 2.311 20 30 DEEDHO Cn1cc(CN2CC[C@H]3[C@@H]2CCN3c2cc[nH+]cc2)cc1C#N ZINC001277694697 1084099868 /nfs/dbraw/zinc/09/98/68/1084099868.db2.gz UDOSXTJASDCFGZ-ROUUACIJSA-N 1 3 307.401 2.145 20 30 DEEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CCC ZINC001670969690 1084175396 /nfs/dbraw/zinc/17/53/96/1084175396.db2.gz VVGUCHUMFBNAFJ-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CCC ZINC001670969690 1084175402 /nfs/dbraw/zinc/17/54/02/1084175402.db2.gz VVGUCHUMFBNAFJ-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC001491315002 1084229557 /nfs/dbraw/zinc/22/95/57/1084229557.db2.gz VMPAXZIWRWDFPN-QXDIGNSFSA-N 1 3 319.493 2.260 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC001491315002 1084229565 /nfs/dbraw/zinc/22/95/65/1084229565.db2.gz VMPAXZIWRWDFPN-QXDIGNSFSA-N 1 3 319.493 2.260 20 30 DEEDHO C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001494159713 1085369435 /nfs/dbraw/zinc/36/94/35/1085369435.db2.gz MICQMKMZLHJHHX-IRXDYDNUSA-N 1 3 307.482 2.075 20 30 DEEDHO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001494159713 1085369448 /nfs/dbraw/zinc/36/94/48/1085369448.db2.gz MICQMKMZLHJHHX-IRXDYDNUSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000957516765 1088371175 /nfs/dbraw/zinc/37/11/75/1088371175.db2.gz BOJZPADNAJCVHK-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC1 ZINC000957560358 1088410995 /nfs/dbraw/zinc/41/09/95/1088410995.db2.gz XIXRNLQJYDCZMN-KRWDZBQOSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)N2CCCCC2)CCC1 ZINC001273200574 1088632885 /nfs/dbraw/zinc/63/28/85/1088632885.db2.gz DIZBLGBPNYOMDN-MRXNPFEDSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001273205401 1090005601 /nfs/dbraw/zinc/00/56/01/1090005601.db2.gz ZZOXGMVMNPDGGH-OAHLLOKOSA-N 1 3 303.450 2.422 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001084429226 1090287499 /nfs/dbraw/zinc/28/74/99/1090287499.db2.gz UKMHPTGZNBESBF-ZACQAIPSSA-N 1 3 307.482 2.072 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001084429226 1090287506 /nfs/dbraw/zinc/28/75/06/1090287506.db2.gz UKMHPTGZNBESBF-ZACQAIPSSA-N 1 3 307.482 2.072 20 30 DEEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@@H]21 ZINC001085014279 1090589860 /nfs/dbraw/zinc/58/98/60/1090589860.db2.gz QRCLZWMVBMOZHR-SQNIBIBYSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@@H]21 ZINC001085014279 1090589867 /nfs/dbraw/zinc/58/98/67/1090589867.db2.gz QRCLZWMVBMOZHR-SQNIBIBYSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCOC[C@]12CCCO[C@H]1CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246723995 1141046014 /nfs/dbraw/zinc/04/60/14/1141046014.db2.gz SVQGRYIISBQRIB-JKHFOPOESA-N 1 3 320.477 2.343 20 30 DEEDHO C=CCOC[C@@]12CCCO[C@@H]1CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246723997 1141047206 /nfs/dbraw/zinc/04/72/06/1141047206.db2.gz SVQGRYIISBQRIB-VEHMJYNQSA-N 1 3 320.477 2.343 20 30 DEEDHO C[NH+]1CCC2(CCN(Cc3cnn4ccc(C#N)cc34)C2)CC1 ZINC001249112893 1141850438 /nfs/dbraw/zinc/85/04/38/1141850438.db2.gz ALRIMZGKJHDMAK-UHFFFAOYSA-N 1 3 309.417 2.124 20 30 DEEDHO CN1CCN(Cc2cccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)c2)CC1 ZINC001254638776 1143293179 /nfs/dbraw/zinc/29/31/79/1143293179.db2.gz QLWXXHCMKSLDDG-QFBILLFUSA-N 1 3 312.461 2.216 20 30 DEEDHO C=CCN(C)CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C(C)C ZINC001278911777 1143830048 /nfs/dbraw/zinc/83/00/48/1143830048.db2.gz DYGPGFRQQOZFJD-SJORKVTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCN(C)CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C(C)C ZINC001278911777 1143830049 /nfs/dbraw/zinc/83/00/49/1143830049.db2.gz DYGPGFRQQOZFJD-SJORKVTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001263864024 1144415810 /nfs/dbraw/zinc/41/58/10/1144415810.db2.gz LRAHTIKIKHLKHJ-JYJNAYRXSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001266062726 1144801813 /nfs/dbraw/zinc/80/18/13/1144801813.db2.gz CBMNVPFEJPUGBH-JKSUJKDBSA-N 1 3 307.482 2.454 20 30 DEEDHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+]CC2CCCC2)CC1 ZINC001266192571 1144812796 /nfs/dbraw/zinc/81/27/96/1144812796.db2.gz YIMHRVUCEQPGIP-MRXNPFEDSA-N 1 3 319.493 2.006 20 30 DEEDHO C=CCCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001316599446 1144829029 /nfs/dbraw/zinc/82/90/29/1144829029.db2.gz CQSIRVNRCYDPFF-MRXNPFEDSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001280392060 1144837787 /nfs/dbraw/zinc/83/77/87/1144837787.db2.gz NYKOAKGNVVDFTA-HNNXBMFYSA-N 1 3 316.449 2.231 20 30 DEEDHO C=C(C)C[N@@H+](CC)CC1CCN(C(=O)CN(C)CCC)CC1 ZINC001281845168 1144916378 /nfs/dbraw/zinc/91/63/78/1144916378.db2.gz QKERYNOKRUPWLC-UHFFFAOYSA-N 1 3 309.498 2.465 20 30 DEEDHO C=C(C)C[N@H+](CC)CC1CCN(C(=O)CN(C)CCC)CC1 ZINC001281845168 1144916379 /nfs/dbraw/zinc/91/63/79/1144916379.db2.gz QKERYNOKRUPWLC-UHFFFAOYSA-N 1 3 309.498 2.465 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001283077156 1145258257 /nfs/dbraw/zinc/25/82/57/1145258257.db2.gz ANLCUKHLZPYREV-BRWVUGGUSA-N 1 3 307.482 2.310 20 30 DEEDHO CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCCN1CC ZINC001492176949 1147119214 /nfs/dbraw/zinc/11/92/14/1147119214.db2.gz BHCGSVSAHXZEDJ-QZTJIDSGSA-N 1 3 319.493 2.245 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCCN1CC ZINC001492176949 1147119225 /nfs/dbraw/zinc/11/92/25/1147119225.db2.gz BHCGSVSAHXZEDJ-QZTJIDSGSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCC[NH2+]C1CCC(NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001317226795 1147679621 /nfs/dbraw/zinc/67/96/21/1147679621.db2.gz OOIAYONSMZCOFJ-DAWZGUTISA-N 1 3 319.493 2.290 20 30 DEEDHO C=CCCC[NH+]1CCC2(CN(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001326602617 1148159385 /nfs/dbraw/zinc/15/93/85/1148159385.db2.gz DICZPQRGXZXLJM-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CC[NH2+]C1 ZINC000422983198 230305727 /nfs/dbraw/zinc/30/57/27/230305727.db2.gz YWPDFHBLPSSLER-IMJJTQAJSA-N 1 3 316.424 2.254 20 30 DEEDHO C[NH+]=C(NC[C@@H]1CCCN(C)[C@H]1c1cccs1)NC1CC1 ZINC000262670280 530039132 /nfs/dbraw/zinc/03/91/32/530039132.db2.gz PDRZXJXBTOOJPM-SWLSCSKDSA-N 1 3 306.479 2.458 20 30 DEEDHO N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CCCCN3)CC2)cc1 ZINC000591577686 357737753 /nfs/dbraw/zinc/73/77/53/357737753.db2.gz AFBZZDQYCRSOEY-IBGZPJMESA-N 1 3 312.461 2.254 20 30 DEEDHO N#Cc1ccc(CN2CCC(NC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000591577686 357737756 /nfs/dbraw/zinc/73/77/56/357737756.db2.gz AFBZZDQYCRSOEY-IBGZPJMESA-N 1 3 312.461 2.254 20 30 DEEDHO N#Cc1cccc(CN2CCC([NH2+][C@H]3CCCNCC3)CC2)c1 ZINC000593323760 358054544 /nfs/dbraw/zinc/05/45/44/358054544.db2.gz WMSUNBDRAQJRBA-SFHVURJKSA-N 1 3 312.461 2.254 20 30 DEEDHO C[C@@H](N)C[C@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593323576 358054704 /nfs/dbraw/zinc/05/47/04/358054704.db2.gz QHIUJTQYVHAEOK-CABCVRRESA-N 1 3 300.450 2.238 20 30 DEEDHO CC(C)(C#N)C[C@H](O)C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000598723016 359305763 /nfs/dbraw/zinc/30/57/63/359305763.db2.gz CPVCARPCTCFELN-KRWDZBQOSA-N 1 3 316.449 2.188 20 30 DEEDHO C#CCOc1ccccc1CNC[C@@H](CC[NH+](C)C)OCC ZINC000267847700 206302090 /nfs/dbraw/zinc/30/20/90/206302090.db2.gz DLUTXKVATFDRAG-QGZVFWFLSA-N 1 3 304.434 2.145 20 30 DEEDHO C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001354500960 1151898965 /nfs/dbraw/zinc/89/89/65/1151898965.db2.gz XEQOQFREWZJHIW-MSOLQXFVSA-N 1 3 315.461 2.369 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)CC[C@H]1CC[NH2+]C1)C(C)C ZINC000270360944 208434976 /nfs/dbraw/zinc/43/49/76/208434976.db2.gz XOJUVQXANMMIJD-IRXDYDNUSA-N 1 3 307.482 2.191 20 30 DEEDHO Cc1ccc(C#N)c(NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000160949428 402366347 /nfs/dbraw/zinc/36/63/47/402366347.db2.gz WQPUEEWEZDMXNL-UHFFFAOYSA-N 1 3 313.449 2.232 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000171734960 402616952 /nfs/dbraw/zinc/61/69/52/402616952.db2.gz MDSPQAKWJRPKLF-INIZCTEOSA-N 1 3 322.497 2.056 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000171734960 402616953 /nfs/dbraw/zinc/61/69/53/402616953.db2.gz MDSPQAKWJRPKLF-INIZCTEOSA-N 1 3 322.497 2.056 20 30 DEEDHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)[C@H](C)C1 ZINC000191079815 402640785 /nfs/dbraw/zinc/64/07/85/402640785.db2.gz VRKIPKLVRNXTHP-CRAIPNDOSA-N 1 3 318.465 2.123 20 30 DEEDHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280479498 403003823 /nfs/dbraw/zinc/00/38/23/403003823.db2.gz UTECBCVTWDWWRC-ROUUACIJSA-N 1 3 324.428 2.041 20 30 DEEDHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280479498 403003824 /nfs/dbraw/zinc/00/38/24/403003824.db2.gz UTECBCVTWDWWRC-ROUUACIJSA-N 1 3 324.428 2.041 20 30 DEEDHO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000343924294 403794421 /nfs/dbraw/zinc/79/44/21/403794421.db2.gz MVONHOPJXYOJNG-QFBILLFUSA-N 1 3 312.461 2.016 20 30 DEEDHO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000343924294 403794424 /nfs/dbraw/zinc/79/44/24/403794424.db2.gz MVONHOPJXYOJNG-QFBILLFUSA-N 1 3 312.461 2.016 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)CC[C@H]1CCC[NH2+]1)C(C)C ZINC000291990208 404615252 /nfs/dbraw/zinc/61/52/52/404615252.db2.gz BBONVRPXOUZUNJ-IAGOWNOFSA-N 1 3 307.482 2.333 20 30 DEEDHO C=CCOc1cccc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414796928 404738060 /nfs/dbraw/zinc/73/80/60/404738060.db2.gz YDCJEPUHTFUOPJ-KRWDZBQOSA-N 1 3 316.445 2.439 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@H]1C)C(C)C ZINC000417073596 405027038 /nfs/dbraw/zinc/02/70/38/405027038.db2.gz YFSASWCPQRQBHF-IXDOHACOSA-N 1 3 322.497 2.064 20 30 DEEDHO C=CCN1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000439844177 405294109 /nfs/dbraw/zinc/29/41/09/405294109.db2.gz TZFYNSURQWYMFK-KRWDZBQOSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCN1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000439844177 405294112 /nfs/dbraw/zinc/29/41/12/405294112.db2.gz TZFYNSURQWYMFK-KRWDZBQOSA-N 1 3 305.466 2.160 20 30 DEEDHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421326980 405464426 /nfs/dbraw/zinc/46/44/26/405464426.db2.gz PHHYYTYENUGTFV-HNNXBMFYSA-N 1 3 318.440 2.061 20 30 DEEDHO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639759681 406237850 /nfs/dbraw/zinc/23/78/50/406237850.db2.gz GIOIXYNVUZFCBO-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCc1ccccc1OC[C@H](O)CNC1CC[NH+](CC)CC1 ZINC000569837434 406310457 /nfs/dbraw/zinc/31/04/57/406310457.db2.gz PVHMRXXNCVVPLZ-GOSISDBHSA-N 1 3 318.461 2.229 20 30 DEEDHO [NH2+]=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CCCCC1 ZINC000195291622 225201827 /nfs/dbraw/zinc/20/18/27/225201827.db2.gz SJZDZRFBCUHAGD-KRWDZBQOSA-N 1 3 300.450 2.309 20 30 DEEDHO C[C@@H](N)C[C@@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000423055207 230332197 /nfs/dbraw/zinc/33/21/97/230332197.db2.gz CXDYJBDBHBHQMD-KCNJBTMXSA-N 1 3 302.422 2.359 20 30 DEEDHO C=CC[C@H]1CCCC[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000665392979 425561914 /nfs/dbraw/zinc/56/19/14/425561914.db2.gz KOMUOEBNVQSAQC-IRXDYDNUSA-N 1 3 324.513 2.256 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)C(C)C ZINC000655444350 425567501 /nfs/dbraw/zinc/56/75/01/425567501.db2.gz COUIIBQSWVNYDQ-SCTDSRPQSA-N 1 3 319.493 2.191 20 30 DEEDHO C=CC[C@@]1(C(=O)N[C@H]2CCN(C3CCCCC3)C2)CCC[NH2+]1 ZINC000662877272 425754252 /nfs/dbraw/zinc/75/42/52/425754252.db2.gz HMXDOKYDBFUOPS-YJBOKZPZSA-N 1 3 305.466 2.208 20 30 DEEDHO CC[NH+](CC)CCOCCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353678899 279109286 /nfs/dbraw/zinc/10/92/86/279109286.db2.gz PZPGDBJYPUHDSS-GOSISDBHSA-N 1 3 301.434 2.494 20 30 DEEDHO C#CCN1CCC(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000110436183 333583528 /nfs/dbraw/zinc/58/35/28/333583528.db2.gz BAHHYOXPNKBRLG-UHFFFAOYSA-N 1 3 319.493 2.104 20 30 DEEDHO C=CCN1CCC(NC(N[C@@H]2C[C@@](C)(OC)C2(C)C)=[NH+]C)CC1 ZINC000262452883 526416146 /nfs/dbraw/zinc/41/61/46/526416146.db2.gz WHGDDLIULJJCBY-CRAIPNDOSA-N 1 3 322.497 2.005 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000447950094 526435116 /nfs/dbraw/zinc/43/51/16/526435116.db2.gz FKAKHRWWBLMPFL-MRXNPFEDSA-N 1 3 322.497 2.056 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000447950094 526435118 /nfs/dbraw/zinc/43/51/18/526435118.db2.gz FKAKHRWWBLMPFL-MRXNPFEDSA-N 1 3 322.497 2.056 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc2ncccc2c1 ZINC000195293122 529074239 /nfs/dbraw/zinc/07/42/39/529074239.db2.gz DGKPJTKECZSSQZ-MRXNPFEDSA-N 1 3 311.433 2.123 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]12 ZINC001026359916 625352196 /nfs/dbraw/zinc/35/21/96/625352196.db2.gz HCPPSCRZXQHEIA-BRWVUGGUSA-N 1 3 319.493 2.121 20 30 DEEDHO C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC000947310599 625436690 /nfs/dbraw/zinc/43/66/90/625436690.db2.gz UOHGOJIOFDWBJM-CVEARBPZSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC000947310599 625436692 /nfs/dbraw/zinc/43/66/92/625436692.db2.gz UOHGOJIOFDWBJM-CVEARBPZSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[NH+]1CC([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC000970930303 623798785 /nfs/dbraw/zinc/79/87/85/623798785.db2.gz YEUUUBUHCZSKMM-OAHLLOKOSA-N 1 3 315.461 2.374 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023126227 625163729 /nfs/dbraw/zinc/16/37/29/625163729.db2.gz NSGRZSVPRVWWOB-IYBDPMFKSA-N 1 3 321.852 2.351 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001023365189 625239648 /nfs/dbraw/zinc/23/96/48/625239648.db2.gz YZQNNRBEYHUMRO-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001023365189 625239653 /nfs/dbraw/zinc/23/96/53/625239653.db2.gz YZQNNRBEYHUMRO-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001026267881 625240572 /nfs/dbraw/zinc/24/05/72/625240572.db2.gz RMMGKYBURBDMEX-YESZJQIVSA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001024436422 625762282 /nfs/dbraw/zinc/76/22/82/625762282.db2.gz CVUBSWDMPQRPKY-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001024436422 625762286 /nfs/dbraw/zinc/76/22/86/625762286.db2.gz CVUBSWDMPQRPKY-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CC1(C)C ZINC000996381370 633251175 /nfs/dbraw/zinc/25/11/75/633251175.db2.gz VBPZTZAOOPDYFK-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1sccc1CN(C)C ZINC001027913774 634954860 /nfs/dbraw/zinc/95/48/60/634954860.db2.gz OKOYWDRSPXFDFV-AWEZNQCLSA-N 1 3 307.463 2.190 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1sccc1CN(C)C ZINC001027913774 634954864 /nfs/dbraw/zinc/95/48/64/634954864.db2.gz OKOYWDRSPXFDFV-AWEZNQCLSA-N 1 3 307.463 2.190 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001000374647 635162882 /nfs/dbraw/zinc/16/28/82/635162882.db2.gz WEKWFGJAIYVKNE-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001027985568 635168721 /nfs/dbraw/zinc/16/87/21/635168721.db2.gz LDGQVPJTZAUAEP-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001027985568 635168724 /nfs/dbraw/zinc/16/87/24/635168724.db2.gz LDGQVPJTZAUAEP-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN1CC=C(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001000882426 635329314 /nfs/dbraw/zinc/32/93/14/635329314.db2.gz BDUYGGCHQBPSCR-QGZVFWFLSA-N 1 3 305.466 2.041 20 30 DEEDHO C=CCN1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001000882426 635329319 /nfs/dbraw/zinc/32/93/19/635329319.db2.gz BDUYGGCHQBPSCR-QGZVFWFLSA-N 1 3 305.466 2.041 20 30 DEEDHO C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001001911801 635574510 /nfs/dbraw/zinc/57/45/10/635574510.db2.gz PRYOKESHZOVFOX-SFHVURJKSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCN1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001003941337 636090046 /nfs/dbraw/zinc/09/00/46/636090046.db2.gz YUDMMYPFYXTIIQ-KRWDZBQOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001003941337 636090047 /nfs/dbraw/zinc/09/00/47/636090047.db2.gz YUDMMYPFYXTIIQ-KRWDZBQOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001004575213 636489963 /nfs/dbraw/zinc/48/99/63/636489963.db2.gz BAEKESVPISBZQB-QGZVFWFLSA-N 1 3 316.449 2.231 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001004575213 636489965 /nfs/dbraw/zinc/48/99/65/636489965.db2.gz BAEKESVPISBZQB-QGZVFWFLSA-N 1 3 316.449 2.231 20 30 DEEDHO CC(C)(C)[C@@]1(C[NH3+])CCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000923413228 637166966 /nfs/dbraw/zinc/16/69/66/637166966.db2.gz FAQPFEJXLBBZOY-SJLPKXTDSA-N 1 3 301.434 2.289 20 30 DEEDHO C=CC[N@@H+](C)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000985804367 639645191 /nfs/dbraw/zinc/64/51/91/639645191.db2.gz NGAURALSVQVYEU-UHFFFAOYSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CC[N@H+](C)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000985804367 639645193 /nfs/dbraw/zinc/64/51/93/639645193.db2.gz NGAURALSVQVYEU-UHFFFAOYSA-N 1 3 315.461 2.471 20 30 DEEDHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc(C#N)ccn1 ZINC000902871364 643166144 /nfs/dbraw/zinc/16/61/44/643166144.db2.gz MYAMRENZORUWFO-OAGGEKHMSA-N 1 3 316.449 2.493 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000908230552 644788914 /nfs/dbraw/zinc/78/89/14/644788914.db2.gz PCCKNMIOFWIHMD-WMZOPIPTSA-N 1 3 315.461 2.274 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]21 ZINC000992710829 647193403 /nfs/dbraw/zinc/19/34/03/647193403.db2.gz JUSKTUSCPKNYQA-IXDOHACOSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]21 ZINC000992821438 647281447 /nfs/dbraw/zinc/28/14/47/647281447.db2.gz VJLQGDWTRGUZIM-IXDOHACOSA-N 1 3 319.493 2.121 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCC)[C@H](C)C2)CC1 ZINC000948069524 648327211 /nfs/dbraw/zinc/32/72/11/648327211.db2.gz IGUWHHNCPUSZIU-SJLPKXTDSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCCC)[C@H](C)C2)CC1 ZINC000948069524 648327212 /nfs/dbraw/zinc/32/72/12/648327212.db2.gz IGUWHHNCPUSZIU-SJLPKXTDSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC000942558223 649244366 /nfs/dbraw/zinc/24/43/66/649244366.db2.gz TZXUZRRAMKOIJJ-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC000942558223 649244370 /nfs/dbraw/zinc/24/43/70/649244370.db2.gz TZXUZRRAMKOIJJ-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945092274 649611405 /nfs/dbraw/zinc/61/14/05/649611405.db2.gz QCZOEXONTYFAGN-YJBOKZPZSA-N 1 3 315.461 2.374 20 30 DEEDHO C=CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945092274 649611407 /nfs/dbraw/zinc/61/14/07/649611407.db2.gz QCZOEXONTYFAGN-YJBOKZPZSA-N 1 3 315.461 2.374 20 30 DEEDHO C#C[C@@](C)(CC)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000854704376 651540990 /nfs/dbraw/zinc/54/09/90/651540990.db2.gz RCDWGYAZCYSRDE-IBGZPJMESA-N 1 3 319.493 2.101 20 30 DEEDHO CCCCCCCCNC(=[NH2+])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000849000022 651577580 /nfs/dbraw/zinc/57/75/80/651577580.db2.gz HCDKTTNDZJFDHT-HZPDHXFCSA-N 1 3 310.486 2.324 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(C)cc1C ZINC000104176783 684058286 /nfs/dbraw/zinc/05/82/86/684058286.db2.gz LOHFNXRVNNSZIN-QGZVFWFLSA-N 1 3 302.466 2.235 20 30 DEEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001054148523 693863203 /nfs/dbraw/zinc/86/32/03/693863203.db2.gz PDTRJKYTAOWKLH-PKOBYXMFSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001054148523 693863207 /nfs/dbraw/zinc/86/32/07/693863207.db2.gz PDTRJKYTAOWKLH-PKOBYXMFSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054198530 693878713 /nfs/dbraw/zinc/87/87/13/693878713.db2.gz ZEDIIAHDFVRSTN-MJGOQNOKSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054198530 693878715 /nfs/dbraw/zinc/87/87/15/693878715.db2.gz ZEDIIAHDFVRSTN-MJGOQNOKSA-N 1 3 319.493 2.219 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccccc2)CCC1 ZINC000303789082 685235180 /nfs/dbraw/zinc/23/51/80/685235180.db2.gz VAWGODCHQSVNHB-KRWDZBQOSA-N 1 3 314.477 2.497 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCSc1ccc(C)cc1 ZINC000303789648 685235287 /nfs/dbraw/zinc/23/52/87/685235287.db2.gz VLVVSEMCBHCWAC-HNNXBMFYSA-N 1 3 320.506 2.476 20 30 DEEDHO CCOc1ccccc1CCNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000303990095 685243104 /nfs/dbraw/zinc/24/31/04/685243104.db2.gz YFFXJVPYNWRIEY-MRXNPFEDSA-N 1 3 318.465 2.016 20 30 DEEDHO C[N@@H+]1CCC[C@@H](N2CCN(CC3CCC(C#N)CC3)CC2)C1 ZINC000929983000 694063843 /nfs/dbraw/zinc/06/38/43/694063843.db2.gz ZWVQCVBFMOONMU-DAWZGUTISA-N 1 3 304.482 2.028 20 30 DEEDHO C[N@H+]1CCC[C@@H](N2CCN(CC3CCC(C#N)CC3)CC2)C1 ZINC000929983000 694063849 /nfs/dbraw/zinc/06/38/49/694063849.db2.gz ZWVQCVBFMOONMU-DAWZGUTISA-N 1 3 304.482 2.028 20 30 DEEDHO C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)CN2CCC[C@H]2C)CC1 ZINC001016828193 687712256 /nfs/dbraw/zinc/71/22/56/687712256.db2.gz DLOTVFPLKGBYDT-IAGOWNOFSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001026492398 688528687 /nfs/dbraw/zinc/52/86/87/688528687.db2.gz LAXLHUKFZOGTDN-JCYILVPMSA-N 1 3 307.482 2.452 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033145576 689403660 /nfs/dbraw/zinc/40/36/60/689403660.db2.gz IGFHBOBGHLOKIE-IAGOWNOFSA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033145576 689403662 /nfs/dbraw/zinc/40/36/62/689403662.db2.gz IGFHBOBGHLOKIE-IAGOWNOFSA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033685503 689583116 /nfs/dbraw/zinc/58/31/16/689583116.db2.gz UQNDVZPQLFAPEP-GOSISDBHSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001034241471 689777543 /nfs/dbraw/zinc/77/75/43/689777543.db2.gz XVZGZXVPZINEHI-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001034241471 689777545 /nfs/dbraw/zinc/77/75/45/689777545.db2.gz XVZGZXVPZINEHI-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN1CCCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034474429 689863766 /nfs/dbraw/zinc/86/37/66/689863766.db2.gz KVLFSHNFFBMHSH-QGZVFWFLSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000876735237 689920519 /nfs/dbraw/zinc/92/05/19/689920519.db2.gz BZLIZZYKCAYZQX-KBMXLJTQSA-N 1 3 321.852 2.408 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000876873975 689960758 /nfs/dbraw/zinc/96/07/58/689960758.db2.gz WYMGYMVWQQMNCG-HNNXBMFYSA-N 1 3 309.841 2.047 20 30 DEEDHO C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035194238 690056070 /nfs/dbraw/zinc/05/60/70/690056070.db2.gz XAOSQTUJPSSCTA-KRWDZBQOSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035194238 690056072 /nfs/dbraw/zinc/05/60/72/690056072.db2.gz XAOSQTUJPSSCTA-KRWDZBQOSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035254597 690075184 /nfs/dbraw/zinc/07/51/84/690075184.db2.gz MSQMTHVYFTXOLL-UHFFFAOYSA-N 1 3 319.493 2.363 20 30 DEEDHO C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035254597 690075187 /nfs/dbraw/zinc/07/51/87/690075187.db2.gz MSQMTHVYFTXOLL-UHFFFAOYSA-N 1 3 319.493 2.363 20 30 DEEDHO C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035810695 690182964 /nfs/dbraw/zinc/18/29/64/690182964.db2.gz PUTBKAFRPSTECF-KRWDZBQOSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035810695 690182966 /nfs/dbraw/zinc/18/29/66/690182966.db2.gz PUTBKAFRPSTECF-KRWDZBQOSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001036056928 690248550 /nfs/dbraw/zinc/24/85/50/690248550.db2.gz WTNDQCSOKMVEEM-DOMZBBRYSA-N 1 3 313.873 2.050 20 30 DEEDHO C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040396974 691242306 /nfs/dbraw/zinc/24/23/06/691242306.db2.gz XLMSIGXEFNGWEQ-HKUYNNGSSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040396974 691242309 /nfs/dbraw/zinc/24/23/09/691242309.db2.gz XLMSIGXEFNGWEQ-HKUYNNGSSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001040848603 691292575 /nfs/dbraw/zinc/29/25/75/691292575.db2.gz LYLMNYWGWNIMLL-QGZVFWFLSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001041679843 691409525 /nfs/dbraw/zinc/40/95/25/691409525.db2.gz OZZKDZZTXKGLFU-MJGOQNOKSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001041679843 691409527 /nfs/dbraw/zinc/40/95/27/691409527.db2.gz OZZKDZZTXKGLFU-MJGOQNOKSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001041844627 691444342 /nfs/dbraw/zinc/44/43/42/691444342.db2.gz BIQHNEFQGFVNGE-HKUYNNGSSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001041844627 691444344 /nfs/dbraw/zinc/44/43/44/691444344.db2.gz BIQHNEFQGFVNGE-HKUYNNGSSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@H]21 ZINC001042186612 691532157 /nfs/dbraw/zinc/53/21/57/691532157.db2.gz IPQCRJUECCLWAJ-DLBZAZTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@H]21 ZINC001042186612 691532160 /nfs/dbraw/zinc/53/21/60/691532160.db2.gz IPQCRJUECCLWAJ-DLBZAZTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001042311850 691565346 /nfs/dbraw/zinc/56/53/46/691565346.db2.gz BDFDSESVEWVKHY-GJZGRUSLSA-N 1 3 316.449 2.186 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001042311850 691565349 /nfs/dbraw/zinc/56/53/49/691565349.db2.gz BDFDSESVEWVKHY-GJZGRUSLSA-N 1 3 316.449 2.186 20 30 DEEDHO C=CCN1CCC(C)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001045478986 691987156 /nfs/dbraw/zinc/98/71/56/691987156.db2.gz LVDWCEFPEUPKOK-CVEARBPZSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCN1CCC(C)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001045478986 691987158 /nfs/dbraw/zinc/98/71/58/691987158.db2.gz LVDWCEFPEUPKOK-CVEARBPZSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045943709 692058628 /nfs/dbraw/zinc/05/86/28/692058628.db2.gz NCJQUEFWXROTJE-SFHVURJKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045943709 692058631 /nfs/dbraw/zinc/05/86/31/692058631.db2.gz NCJQUEFWXROTJE-SFHVURJKSA-N 1 3 319.493 2.361 20 30 DEEDHO C#CCN(C(=O)CCC[NH+](CCC)CCC)C1CCN(C)CC1 ZINC000886582556 692117432 /nfs/dbraw/zinc/11/74/32/692117432.db2.gz ZJUWMSDQOAWACM-UHFFFAOYSA-N 1 3 321.509 2.445 20 30 DEEDHO C=CCN1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319948 692152723 /nfs/dbraw/zinc/15/27/23/692152723.db2.gz YXKXWIUANBGSMO-LPHOPBHVSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCN1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319948 692152726 /nfs/dbraw/zinc/15/27/26/692152726.db2.gz YXKXWIUANBGSMO-LPHOPBHVSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)CN1CC[C@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046761502 692290550 /nfs/dbraw/zinc/29/05/50/692290550.db2.gz WAESYIKGCUNWLE-IBGZPJMESA-N 1 3 319.493 2.265 20 30 DEEDHO C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001047226969 692397888 /nfs/dbraw/zinc/39/78/88/692397888.db2.gz BTMGNZXIJKGVBJ-ROUUACIJSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049915121 693047330 /nfs/dbraw/zinc/04/73/30/693047330.db2.gz SOYWJBWRQGUYGR-KURKYZTESA-N 1 3 319.493 2.358 20 30 DEEDHO N#Cc1ccc(NCCN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)nc1 ZINC000925894256 693361591 /nfs/dbraw/zinc/36/15/91/693361591.db2.gz VPVVTJHYXNQNDC-QZTJIDSGSA-N 1 3 321.428 2.448 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001052370016 693517190 /nfs/dbraw/zinc/51/71/90/693517190.db2.gz XVPOWXHVAGSLGT-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001052370016 693517193 /nfs/dbraw/zinc/51/71/93/693517193.db2.gz XVPOWXHVAGSLGT-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001052619878 693581324 /nfs/dbraw/zinc/58/13/24/693581324.db2.gz JXYSKVWMIONBBR-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001052619878 693581329 /nfs/dbraw/zinc/58/13/29/693581329.db2.gz JXYSKVWMIONBBR-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001403271846 1162833322 /nfs/dbraw/zinc/83/33/22/1162833322.db2.gz WMXRZYFVWCYUAT-LSDHHAIUSA-N 1 3 313.873 2.051 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001418136470 1167434253 /nfs/dbraw/zinc/43/42/53/1167434253.db2.gz FIOYCCIUZNNQDV-LSDHHAIUSA-N 1 3 315.889 2.153 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001444373608 1183362561 /nfs/dbraw/zinc/36/25/61/1183362561.db2.gz ICYPXRCEUVCDBB-UKRRQHHQSA-N 1 3 315.889 2.344 20 30 DEEDHO C=C(Cl)CN[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001444880886 1183616970 /nfs/dbraw/zinc/61/69/70/1183616970.db2.gz AJBZHYCZAJVTPI-GJZGRUSLSA-N 1 3 315.889 2.344 20 30 DEEDHO C=C(Cl)CN[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC001444880886 1183616978 /nfs/dbraw/zinc/61/69/78/1183616978.db2.gz AJBZHYCZAJVTPI-GJZGRUSLSA-N 1 3 315.889 2.344 20 30 DEEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001106730929 782896977 /nfs/dbraw/zinc/89/69/77/782896977.db2.gz XGTWWTIQVMWBRH-ZACQAIPSSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCCC[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167224251 776780466 /nfs/dbraw/zinc/78/04/66/776780466.db2.gz IBCBWTXPGVHPMB-INIZCTEOSA-N 1 3 307.482 2.313 20 30 DEEDHO CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001167385935 776979649 /nfs/dbraw/zinc/97/96/49/776979649.db2.gz ZILUBBOYODMLRV-QGZVFWFLSA-N 1 3 319.493 2.149 20 30 DEEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1c1ccccc1 ZINC001211695244 778650112 /nfs/dbraw/zinc/65/01/12/778650112.db2.gz SEFXGSSFMHSQIP-ZWKOTPCHSA-N 1 3 315.461 2.098 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001085284568 783619473 /nfs/dbraw/zinc/61/94/73/783619473.db2.gz BTSJKTGFQIAUHS-KZNAEPCWSA-N 1 3 319.493 2.454 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001086085046 784396017 /nfs/dbraw/zinc/39/60/17/784396017.db2.gz PMUZJRBHZPVJQY-QLFBSQMISA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001086085046 784396023 /nfs/dbraw/zinc/39/60/23/784396023.db2.gz PMUZJRBHZPVJQY-QLFBSQMISA-N 1 3 313.873 2.096 20 30 DEEDHO C=CC[NH2+]C1CC(CNC(=O)c2ccccc2CN(C)C)C1 ZINC001091377717 791129479 /nfs/dbraw/zinc/12/94/79/791129479.db2.gz VZCXLPSWTKDAAF-UHFFFAOYSA-N 1 3 301.434 2.032 20 30 DEEDHO C=CCN1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132549749 788127017 /nfs/dbraw/zinc/12/70/17/788127017.db2.gz ZCJPWSCMCJPNBY-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C ZINC001133121961 788287862 /nfs/dbraw/zinc/28/78/62/788287862.db2.gz MUTDIHIDDNYOBF-IAGOWNOFSA-N 1 3 321.509 2.369 20 30 DEEDHO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146583520 791316004 /nfs/dbraw/zinc/31/60/04/791316004.db2.gz MHMDOBPDARCLCJ-CVEARBPZSA-N 1 3 315.461 2.258 20 30 DEEDHO C=CCCC[N@H+]1CCC2(CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001148819831 791807919 /nfs/dbraw/zinc/80/79/19/791807919.db2.gz QMCGSWCKAASQBB-IRXDYDNUSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCCC[N@@H+]1CCC2(CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001148819831 791807921 /nfs/dbraw/zinc/80/79/21/791807921.db2.gz QMCGSWCKAASQBB-IRXDYDNUSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)CCC ZINC001099553883 792240005 /nfs/dbraw/zinc/24/00/05/792240005.db2.gz WLSLEGYJGVLOKE-MHORFTMASA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)CCC ZINC001099553883 792240011 /nfs/dbraw/zinc/24/00/11/792240011.db2.gz WLSLEGYJGVLOKE-MHORFTMASA-N 1 3 319.493 2.073 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C(C)C ZINC001099551698 792240540 /nfs/dbraw/zinc/24/05/40/792240540.db2.gz BPOBKWUYRODDBM-MHORFTMASA-N 1 3 319.493 2.072 20 30 DEEDHO C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C(C)C ZINC001099551698 792240545 /nfs/dbraw/zinc/24/05/45/792240545.db2.gz BPOBKWUYRODDBM-MHORFTMASA-N 1 3 319.493 2.072 20 30 DEEDHO C=C(Cl)CNC1CC(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001100669399 792780259 /nfs/dbraw/zinc/78/02/59/792780259.db2.gz WXCNPTZSJKZBRR-NRXISQOPSA-N 1 3 315.889 2.344 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001094937115 793471051 /nfs/dbraw/zinc/47/10/51/793471051.db2.gz FMQPIUGUXCQNNR-ZOBUZTSGSA-N 1 3 305.466 2.016 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CN(C)CCC)[C@H](C)C1 ZINC001102524994 793639555 /nfs/dbraw/zinc/63/95/55/793639555.db2.gz HFJIEVGSFBJDJN-BRWVUGGUSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CN(C)CCC)[C@H](C)C1 ZINC001102524994 793639560 /nfs/dbraw/zinc/63/95/60/793639560.db2.gz HFJIEVGSFBJDJN-BRWVUGGUSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176351963 794411918 /nfs/dbraw/zinc/41/19/18/794411918.db2.gz XLDGYUWTQCQOII-AWEZNQCLSA-N 1 3 306.454 2.491 20 30 DEEDHO C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)N(CC)CC)C1 ZINC001111869893 794507436 /nfs/dbraw/zinc/50/74/36/794507436.db2.gz OZVKGJKHSBMTTC-SCTDSRPQSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)N(CC)CC)C1 ZINC001111869893 794507441 /nfs/dbraw/zinc/50/74/41/794507441.db2.gz OZVKGJKHSBMTTC-SCTDSRPQSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CCCCC1 ZINC001115534927 794812215 /nfs/dbraw/zinc/81/22/15/794812215.db2.gz BSQKJPLMFLEINN-KRWDZBQOSA-N 1 3 319.493 2.291 20 30 DEEDHO C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001121245468 795606928 /nfs/dbraw/zinc/60/69/28/795606928.db2.gz GCQVBGUFFYVAPD-RFSHTEQGSA-N 1 3 319.493 2.310 20 30 DEEDHO C=C(Cl)CNC1CC2(C1)CC(NC(=O)CCC[NH+](C)C)C2 ZINC001121653831 795668063 /nfs/dbraw/zinc/66/80/63/795668063.db2.gz MCHCNZYOCPVPFQ-UHFFFAOYSA-N 1 3 313.873 2.098 20 30 DEEDHO C=CCC[NH2+]C1CC2(CC(NC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001122231048 795738490 /nfs/dbraw/zinc/73/84/90/795738490.db2.gz BWLTYGGVVJNVQQ-XLWKGDHDSA-N 1 3 319.493 2.452 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001185168804 796201249 /nfs/dbraw/zinc/20/12/49/796201249.db2.gz JEVXOCVXOJQMAS-IAGOWNOFSA-N 1 3 321.509 2.369 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001185546398 796288912 /nfs/dbraw/zinc/28/89/12/796288912.db2.gz BLWAMPYJTQQCLO-IAGOWNOFSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)c1cccc(CN(C)C)c1 ZINC001152245492 797162255 /nfs/dbraw/zinc/16/22/55/797162255.db2.gz HYXOWLPCOORTFR-HNNXBMFYSA-N 1 3 303.450 2.422 20 30 DEEDHO C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192385159 797378121 /nfs/dbraw/zinc/37/81/21/797378121.db2.gz FDGCLEUGTPCLSD-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192385159 797378130 /nfs/dbraw/zinc/37/81/30/797378130.db2.gz FDGCLEUGTPCLSD-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192399245 797384380 /nfs/dbraw/zinc/38/43/80/797384380.db2.gz XEQKNFXEVIQCJR-MRXNPFEDSA-N 1 3 309.498 2.463 20 30 DEEDHO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192399245 797384387 /nfs/dbraw/zinc/38/43/87/797384387.db2.gz XEQKNFXEVIQCJR-MRXNPFEDSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001192671003 797428695 /nfs/dbraw/zinc/42/86/95/797428695.db2.gz DKKGWACKFKGWBQ-SJORKVTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001192671003 797428702 /nfs/dbraw/zinc/42/87/02/797428702.db2.gz DKKGWACKFKGWBQ-SJORKVTESA-N 1 3 307.482 2.358 20 30 DEEDHO C#CCCN1CCCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001197794483 798239310 /nfs/dbraw/zinc/23/93/10/798239310.db2.gz JSGBLMBBASUCFB-UHFFFAOYSA-N 1 3 321.509 2.446 20 30 DEEDHO C#CCC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203426394 800046021 /nfs/dbraw/zinc/04/60/21/800046021.db2.gz JPYIKCKIVLORMH-CVEARBPZSA-N 1 3 319.493 2.005 20 30 DEEDHO C=CCO[C@@H]1CO[C@]2(C1)CCCN(C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001208609945 801030100 /nfs/dbraw/zinc/03/01/00/801030100.db2.gz XPQBCBMRJFTWQJ-BZSNNMDCSA-N 1 3 308.466 2.154 20 30 DEEDHO C=CCO[C@@H]1CO[C@]2(C1)CCCN(C[C@H]1CCC[N@H+](C)C1)C2 ZINC001208609945 801030104 /nfs/dbraw/zinc/03/01/04/801030104.db2.gz XPQBCBMRJFTWQJ-BZSNNMDCSA-N 1 3 308.466 2.154 20 30 DEEDHO C=CCCCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001209202971 801150611 /nfs/dbraw/zinc/15/06/11/801150611.db2.gz JPODFSREIKZYFI-IKGGRYGDSA-N 1 3 303.454 2.029 20 30 DEEDHO C=CCCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001209202971 801150612 /nfs/dbraw/zinc/15/06/12/801150612.db2.gz JPODFSREIKZYFI-IKGGRYGDSA-N 1 3 303.454 2.029 20 30 DEEDHO CC#CCN[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211261841 801538987 /nfs/dbraw/zinc/53/89/87/801538987.db2.gz DULSPLYNIDTZLR-QZTJIDSGSA-N 1 3 319.493 2.101 20 30 DEEDHO N#Cc1c2ccccc2sc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218649092 802221098 /nfs/dbraw/zinc/22/10/98/802221098.db2.gz QIVDJAFAPCTBRH-CQSZACIVSA-N 1 3 314.414 2.038 20 30 DEEDHO N#Cc1ccc(-c2ccccc2NC(=O)[C@H](N)CCC[NH3+])cc1 ZINC001219270472 802303993 /nfs/dbraw/zinc/30/39/93/802303993.db2.gz KKEFRTSCGXATJB-MRXNPFEDSA-N 1 3 308.385 2.230 20 30 DEEDHO C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001330915975 1149332947 /nfs/dbraw/zinc/33/29/47/1149332947.db2.gz LTCANWVPTQENTM-PBHICJAKSA-N 1 3 313.461 2.259 20 30 DEEDHO C=C(Cl)CNCCC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001330931774 1149337782 /nfs/dbraw/zinc/33/77/82/1149337782.db2.gz IUDGNKOPVPGUKO-CQSZACIVSA-N 1 3 315.889 2.345 20 30 DEEDHO CC#CCN[C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001331529539 1149510118 /nfs/dbraw/zinc/51/01/18/1149510118.db2.gz KVEQPIJSIKJOAR-SJLPKXTDSA-N 1 3 319.493 2.243 20 30 DEEDHO CC#CCN[C@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001331529539 1149510139 /nfs/dbraw/zinc/51/01/39/1149510139.db2.gz KVEQPIJSIKJOAR-SJLPKXTDSA-N 1 3 319.493 2.243 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001368534984 1148483323 /nfs/dbraw/zinc/48/33/23/1148483323.db2.gz LEODZNXFBDMGMU-GASCZTMLSA-N 1 3 313.873 2.099 20 30 DEEDHO COc1cc(C[NH2+]Cc2ccnn2-c2ccncc2)ccc1C#N ZINC001461486191 1058666196 /nfs/dbraw/zinc/66/61/96/1058666196.db2.gz GEBNQDYVSABFCP-UHFFFAOYSA-N 1 3 319.368 2.437 20 30 DEEDHO C#CCN1CCC(C)(CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001500465462 1058809481 /nfs/dbraw/zinc/80/94/81/1058809481.db2.gz CJENJKISACLTJU-UHFFFAOYSA-N 1 3 319.493 2.104 20 30 DEEDHO C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001502406726 1060116467 /nfs/dbraw/zinc/11/64/67/1060116467.db2.gz QZWJRKAVAYKAOT-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001502406726 1060116480 /nfs/dbraw/zinc/11/64/80/1060116480.db2.gz QZWJRKAVAYKAOT-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001479519469 1061488437 /nfs/dbraw/zinc/48/84/37/1061488437.db2.gz LPWYCBWUGWORRD-WMZOPIPTSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001480349918 1062696445 /nfs/dbraw/zinc/69/64/45/1062696445.db2.gz MVXCXRIRGOTCGC-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001480833877 1063426997 /nfs/dbraw/zinc/42/69/97/1063426997.db2.gz ZFXLMIHFLWAQFS-LSDHHAIUSA-N 1 3 313.873 2.051 20 30 DEEDHO C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001480833877 1063427007 /nfs/dbraw/zinc/42/70/07/1063427007.db2.gz ZFXLMIHFLWAQFS-LSDHHAIUSA-N 1 3 313.873 2.051 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001494054937 1064106293 /nfs/dbraw/zinc/10/62/93/1064106293.db2.gz LRFMSJCJNWFVSE-IRXDYDNUSA-N 1 3 307.482 2.123 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001494054937 1064106294 /nfs/dbraw/zinc/10/62/94/1064106294.db2.gz LRFMSJCJNWFVSE-IRXDYDNUSA-N 1 3 307.482 2.123 20 30 DEEDHO C=CC[NH+]1CCC(CCNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001568131954 1064663037 /nfs/dbraw/zinc/66/30/37/1064663037.db2.gz CPEQHMNEMHASIW-QGZVFWFLSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[NH2+]C[C@@](C)(NC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001495277175 1064800808 /nfs/dbraw/zinc/80/08/08/1064800808.db2.gz NYBIXHWUXIUOAU-GOSISDBHSA-N 1 3 309.498 2.415 20 30 DEEDHO CC#CC[NH2+]C[C@@](C)(NC(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC001495283118 1064807462 /nfs/dbraw/zinc/80/74/62/1064807462.db2.gz WBYCPIPUNPHHSG-QFBILLFUSA-N 1 3 319.493 2.149 20 30 DEEDHO C=CCCCN1CC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001569376285 1065471672 /nfs/dbraw/zinc/47/16/72/1065471672.db2.gz IJXVDFXEVKDKBY-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CC[N@@H+](CC)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001570502599 1066096962 /nfs/dbraw/zinc/09/69/62/1066096962.db2.gz GVLFWKQJXQEVNJ-MRXNPFEDSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CC[N@H+](CC)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001570502599 1066096974 /nfs/dbraw/zinc/09/69/74/1066096974.db2.gz GVLFWKQJXQEVNJ-MRXNPFEDSA-N 1 3 307.482 2.075 20 30 DEEDHO CC#CCN1CCCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001570825552 1068130391 /nfs/dbraw/zinc/13/03/91/1068130391.db2.gz UVHLIFKPLYRWTC-QZTJIDSGSA-N 1 3 321.509 2.491 20 30 DEEDHO C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)CCC)C[C@@]2(C)C1 ZINC001571068391 1068178296 /nfs/dbraw/zinc/17/82/96/1068178296.db2.gz MRVHVDHQTDXHCM-KDURUIRLSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)CCC)C[C@@]2(C)C1 ZINC001571068391 1068178303 /nfs/dbraw/zinc/17/83/03/1068178303.db2.gz MRVHVDHQTDXHCM-KDURUIRLSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCCN1CC[C@@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001483668185 1078766869 /nfs/dbraw/zinc/76/68/69/1078766869.db2.gz SPCPRUYRWIJWIV-QGZVFWFLSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCN1CC[C@@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001483668185 1078766874 /nfs/dbraw/zinc/76/68/74/1078766874.db2.gz SPCPRUYRWIJWIV-QGZVFWFLSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001267565742 1078999948 /nfs/dbraw/zinc/99/99/48/1078999948.db2.gz UAOZVFKHRAPXTR-INIZCTEOSA-N 1 3 309.498 2.369 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001267565742 1078999952 /nfs/dbraw/zinc/99/99/52/1078999952.db2.gz UAOZVFKHRAPXTR-INIZCTEOSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001484113202 1079305521 /nfs/dbraw/zinc/30/55/21/1079305521.db2.gz DRMYHFYMSIGGMX-RHSMWYFYSA-N 1 3 304.438 2.135 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001566967568 1075403477 /nfs/dbraw/zinc/40/34/77/1075403477.db2.gz PTNVUPMFAQJLIB-UKRRQHHQSA-N 1 3 304.438 2.053 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001566967568 1075403480 /nfs/dbraw/zinc/40/34/80/1075403480.db2.gz PTNVUPMFAQJLIB-UKRRQHHQSA-N 1 3 304.438 2.053 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1CCC ZINC001566972838 1075404494 /nfs/dbraw/zinc/40/44/94/1075404494.db2.gz NHUXMSYWIUWUMM-SFFUCWETSA-N 1 3 319.493 2.262 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1CCC ZINC001566972838 1075404499 /nfs/dbraw/zinc/40/44/99/1075404499.db2.gz NHUXMSYWIUWUMM-SFFUCWETSA-N 1 3 319.493 2.262 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001267965865 1079644917 /nfs/dbraw/zinc/64/49/17/1079644917.db2.gz DLENIBVAWBJWOY-QGZVFWFLSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001268084448 1080040063 /nfs/dbraw/zinc/04/00/63/1080040063.db2.gz FVNSMNBMIZZDFQ-WMLDXEAASA-N 1 3 313.461 2.212 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCCCC)CC1 ZINC001485230198 1080078086 /nfs/dbraw/zinc/07/80/86/1080078086.db2.gz QWROFEXKTJNBFX-CVEARBPZSA-N 1 3 307.482 2.005 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001657101721 1080156567 /nfs/dbraw/zinc/15/65/67/1080156567.db2.gz GMESRFBAFVUERZ-CVEARBPZSA-N 1 3 309.498 2.365 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001657101721 1080156571 /nfs/dbraw/zinc/15/65/71/1080156571.db2.gz GMESRFBAFVUERZ-CVEARBPZSA-N 1 3 309.498 2.365 20 30 DEEDHO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001658149133 1080199527 /nfs/dbraw/zinc/19/95/27/1080199527.db2.gz VGYOICCZRHBVCJ-UMQBVGHOSA-N 1 3 308.466 2.343 20 30 DEEDHO C#CCC[NH2+]CC1(NC(=O)CN(C)CC(C)(C)C)CCCCC1 ZINC001485455330 1080216997 /nfs/dbraw/zinc/21/69/97/1080216997.db2.gz LICYBUMZUJYSHN-UHFFFAOYSA-N 1 3 321.509 2.396 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001268269277 1080249312 /nfs/dbraw/zinc/24/93/12/1080249312.db2.gz LUYUBYRKDKHONN-DLBZAZTESA-N 1 3 307.482 2.216 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001268269277 1080249320 /nfs/dbraw/zinc/24/93/20/1080249320.db2.gz LUYUBYRKDKHONN-DLBZAZTESA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001485706726 1080373143 /nfs/dbraw/zinc/37/31/43/1080373143.db2.gz NQQZFYWPFNBBCA-SAABIXHNSA-N 1 3 315.461 2.422 20 30 DEEDHO CC#CC[NH2+]CC1(NC(=O)[C@H](C)N2CCCCCC2)CCCC1 ZINC001665951139 1081101606 /nfs/dbraw/zinc/10/16/06/1081101606.db2.gz DLZNEAKFBBYFIJ-KRWDZBQOSA-N 1 3 319.493 2.293 20 30 DEEDHO CC#CC[NH+]1CCC(CCNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001666389141 1081149935 /nfs/dbraw/zinc/14/99/35/1081149935.db2.gz CRYRAIVEKHMQSP-GOSISDBHSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CC[NH2+]C[C@@H](NC(=O)[C@H](CC)N(C)C)C1CCCCC1 ZINC001667143880 1081216082 /nfs/dbraw/zinc/21/60/82/1081216082.db2.gz DKPRKVVCSIAJNW-SJORKVTESA-N 1 3 307.482 2.005 20 30 DEEDHO C#CCCN1CC[C@H](N(CC)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001269360907 1081227999 /nfs/dbraw/zinc/22/79/99/1081227999.db2.gz MCHDUGZLHZTJIK-SFHVURJKSA-N 1 3 319.493 2.199 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)CC[C@@H]21 ZINC001667695474 1081275342 /nfs/dbraw/zinc/27/53/42/1081275342.db2.gz XMPPZHRWFRRHHI-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)CC[C@@H]21 ZINC001667695474 1081275347 /nfs/dbraw/zinc/27/53/47/1081275347.db2.gz XMPPZHRWFRRHHI-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H]2CN(C(=O)CN(C)CCC)CC[C@H]21 ZINC001667695468 1081275872 /nfs/dbraw/zinc/27/58/72/1081275872.db2.gz XMPPZHRWFRRHHI-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)CCC)CC[C@H]21 ZINC001667695468 1081275875 /nfs/dbraw/zinc/27/58/75/1081275875.db2.gz XMPPZHRWFRRHHI-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[NH2+]C1(CNC(=O)[C@@H](C)N2CCCCCC2)CCCC1 ZINC001270798972 1081714969 /nfs/dbraw/zinc/71/49/69/1081714969.db2.gz ZZVJRZZWAFGEIA-MRXNPFEDSA-N 1 3 307.482 2.456 20 30 DEEDHO C=CCCC[NH2+]C1(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CCC1 ZINC001673238640 1081749069 /nfs/dbraw/zinc/74/90/69/1081749069.db2.gz WXMRPRCJCSNELJ-HOTGVXAUSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N1CCCC1)C2 ZINC001095864714 1081777718 /nfs/dbraw/zinc/77/77/18/1081777718.db2.gz YWMWPFPHLPIIIT-PMPSAXMXSA-N 1 3 305.466 2.158 20 30 DEEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N1CCCC1)C2 ZINC001095864714 1081777723 /nfs/dbraw/zinc/77/77/23/1081777723.db2.gz YWMWPFPHLPIIIT-PMPSAXMXSA-N 1 3 305.466 2.158 20 30 DEEDHO C=C(C)CN1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001266252450 1081917778 /nfs/dbraw/zinc/91/77/78/1081917778.db2.gz ULKCQDFPENBVRR-KRWDZBQOSA-N 1 3 307.482 2.409 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCCN1CC ZINC001266884058 1082428055 /nfs/dbraw/zinc/42/80/55/1082428055.db2.gz KOHTUJJTALWJHQ-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO CC#CCNCCN(CC)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001482925226 1082564221 /nfs/dbraw/zinc/56/42/21/1082564221.db2.gz YZQLXWLRYCNDOY-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CCNCCN(CC)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001482925226 1082564224 /nfs/dbraw/zinc/56/42/24/1082564224.db2.gz YZQLXWLRYCNDOY-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CC[NH2+]Cc1ccc(CNC(=O)[C@H](C(C)C)N(C)C)c(F)c1 ZINC001486524100 1085408340 /nfs/dbraw/zinc/40/83/40/1085408340.db2.gz PJHNVVNOVLFUMF-KRWDZBQOSA-N 1 3 321.440 2.304 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961227057 1085644481 /nfs/dbraw/zinc/64/44/81/1085644481.db2.gz CAZGWHGVPANMFV-HOTGVXAUSA-N 1 3 316.449 2.089 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961227057 1085644485 /nfs/dbraw/zinc/64/44/85/1085644485.db2.gz CAZGWHGVPANMFV-HOTGVXAUSA-N 1 3 316.449 2.089 20 30 DEEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001079701212 1088337696 /nfs/dbraw/zinc/33/76/96/1088337696.db2.gz ZJNIIJGVVGMDNY-JFIYKMOQSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001079701212 1088337707 /nfs/dbraw/zinc/33/77/07/1088337707.db2.gz ZJNIIJGVVGMDNY-JFIYKMOQSA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084398556 1090288397 /nfs/dbraw/zinc/28/83/97/1090288397.db2.gz FONVLUWASSAVDG-FGTMMUONSA-N 1 3 319.493 2.073 20 30 DEEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084398556 1090288400 /nfs/dbraw/zinc/28/84/00/1090288400.db2.gz FONVLUWASSAVDG-FGTMMUONSA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001084701159 1090401333 /nfs/dbraw/zinc/40/13/33/1090401333.db2.gz QYOLHRFYWXNRAD-KZNAEPCWSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001084701159 1090401336 /nfs/dbraw/zinc/40/13/36/1090401336.db2.gz QYOLHRFYWXNRAD-KZNAEPCWSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC001278308533 1139257459 /nfs/dbraw/zinc/25/74/59/1139257459.db2.gz OPBWROHMESYYEV-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC001278308534 1139257532 /nfs/dbraw/zinc/25/75/32/1139257532.db2.gz OPBWROHMESYYEV-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO CCCCCCCC[C@@H](O)C[N@H+]1CCCC[C@@](O)(CN)C1 ZINC001246023344 1140848524 /nfs/dbraw/zinc/84/85/24/1140848524.db2.gz PLLVKXQGHIBWLA-IAGOWNOFSA-N 1 3 300.487 2.274 20 30 DEEDHO CCCCCCCC[C@H](O)C[N@@H+]1CCCC[C@@](O)(CN)C1 ZINC001246023333 1140848511 /nfs/dbraw/zinc/84/85/11/1140848511.db2.gz PLLVKXQGHIBWLA-DLBZAZTESA-N 1 3 300.487 2.274 20 30 DEEDHO CCCCCCCC[C@H](O)C[N@H+]1CCCC[C@@](O)(CN)C1 ZINC001246023333 1140848513 /nfs/dbraw/zinc/84/85/13/1140848513.db2.gz PLLVKXQGHIBWLA-DLBZAZTESA-N 1 3 300.487 2.274 20 30 DEEDHO CCCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@@](O)(CN)C1 ZINC001246023344 1140848522 /nfs/dbraw/zinc/84/85/22/1140848522.db2.gz PLLVKXQGHIBWLA-IAGOWNOFSA-N 1 3 300.487 2.274 20 30 DEEDHO C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001323860714 1141894115 /nfs/dbraw/zinc/89/41/15/1141894115.db2.gz UNNDZHWOWJOUIK-MJGOQNOKSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001323860714 1141894117 /nfs/dbraw/zinc/89/41/17/1141894117.db2.gz UNNDZHWOWJOUIK-MJGOQNOKSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001278564616 1142177939 /nfs/dbraw/zinc/17/79/39/1142177939.db2.gz JLSRAWSFEKUJMQ-HOTGVXAUSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCCC[C@@H]([NH3+])C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC001342382230 1143814382 /nfs/dbraw/zinc/81/43/82/1143814382.db2.gz ZXRSUMVXITULFE-HZPDHXFCSA-N 1 3 307.413 2.228 20 30 DEEDHO CCCCCCCC[C@@H](N)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001263184142 1144359991 /nfs/dbraw/zinc/35/99/91/1144359991.db2.gz LWAXRRAYJNYIOO-UONOGXRCSA-N 1 3 319.440 2.425 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001263918974 1144423672 /nfs/dbraw/zinc/42/36/72/1144423672.db2.gz AYAOJWPKOZONEU-JKSUJKDBSA-N 1 3 309.498 2.415 20 30 DEEDHO C=CCCCCC[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001265446753 1144704667 /nfs/dbraw/zinc/70/46/67/1144704667.db2.gz PSOFTDORFCVUNI-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[NH+]1CCC(C2(NC(=O)CN(C)C3CCC3)CC2)CC1 ZINC001279360187 1144821121 /nfs/dbraw/zinc/82/11/21/1144821121.db2.gz IOUFFWNZNVCNSR-UHFFFAOYSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001280074078 1144831708 /nfs/dbraw/zinc/83/17/08/1144831708.db2.gz SRBANGXRBIDIOU-CQSZACIVSA-N 1 3 313.873 2.051 20 30 DEEDHO CCN1CCC([N@@H+]2CCCN([C@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC001364739110 1145527289 /nfs/dbraw/zinc/52/72/89/1145527289.db2.gz XNEPUFYUTMGPIR-WMZOPIPTSA-N 1 3 304.482 2.171 20 30 DEEDHO CCN1CCC([N@H+]2CCCN([C@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC001364739110 1145527295 /nfs/dbraw/zinc/52/72/95/1145527295.db2.gz XNEPUFYUTMGPIR-WMZOPIPTSA-N 1 3 304.482 2.171 20 30 DEEDHO C=CC[NH2+]CCc1ccc(CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001317367407 1147697090 /nfs/dbraw/zinc/69/70/90/1147697090.db2.gz YBXOKZFHZBSMPQ-UHFFFAOYSA-N 1 3 315.461 2.105 20 30 DEEDHO C=CCC[N@H+]1CCC[C@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001324943162 1147860527 /nfs/dbraw/zinc/86/05/27/1147860527.db2.gz DVVWDKBDMIAENX-QGZVFWFLSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001324943162 1147860528 /nfs/dbraw/zinc/86/05/28/1147860528.db2.gz DVVWDKBDMIAENX-QGZVFWFLSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](CC)N(C)C ZINC001326458143 1148106850 /nfs/dbraw/zinc/10/68/50/1148106850.db2.gz LHBKCOIMPFVENP-GOSISDBHSA-N 1 3 315.461 2.098 20 30 DEEDHO C#CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](CC)N(C)C ZINC001326458143 1148106858 /nfs/dbraw/zinc/10/68/58/1148106858.db2.gz LHBKCOIMPFVENP-GOSISDBHSA-N 1 3 315.461 2.098 20 30 DEEDHO C=CCN1CCC(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000181722350 356092923 /nfs/dbraw/zinc/09/29/23/356092923.db2.gz CDLWYUKNRKGBNF-MRXNPFEDSA-N 1 3 322.497 2.201 20 30 DEEDHO N#Cc1cccc(CN2CCC([NH2+][C@H]3CCC[C@H](N)C3)CC2)c1 ZINC000594581092 358296788 /nfs/dbraw/zinc/29/67/88/358296788.db2.gz NMHSWKPVCSIZEF-HKUYNNGSSA-N 1 3 312.461 2.382 20 30 DEEDHO C[N@@H+]1CCCC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000600315306 359721724 /nfs/dbraw/zinc/72/17/24/359721724.db2.gz ROFFNMMISOKPGI-QZTJIDSGSA-N 1 3 324.428 2.089 20 30 DEEDHO C[N@H+]1CCCC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000600315306 359721727 /nfs/dbraw/zinc/72/17/27/359721727.db2.gz ROFFNMMISOKPGI-QZTJIDSGSA-N 1 3 324.428 2.089 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000458327403 248263683 /nfs/dbraw/zinc/26/36/83/248263683.db2.gz WEFFZXZUMRYLEZ-INIZCTEOSA-N 1 3 322.497 2.058 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000458327403 248263689 /nfs/dbraw/zinc/26/36/89/248263689.db2.gz WEFFZXZUMRYLEZ-INIZCTEOSA-N 1 3 322.497 2.058 20 30 DEEDHO N#Cc1cccc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000268953753 207120200 /nfs/dbraw/zinc/12/02/00/207120200.db2.gz FPENTORKPFHHDB-MOPGFXCFSA-N 1 3 313.445 2.416 20 30 DEEDHO CCOc1cccc(CCNC(=[NH2+])NC[C@H]2CCCN2CC)c1 ZINC000135114377 401927211 /nfs/dbraw/zinc/92/72/11/401927211.db2.gz JXQBUNSAYRJHHL-MRXNPFEDSA-N 1 3 318.465 2.016 20 30 DEEDHO Cc1ccnc(NC2CCN(C3CC[NH+](C)CC3)CC2)c1C#N ZINC000273377906 402999081 /nfs/dbraw/zinc/99/90/81/402999081.db2.gz SKZFQJNPTZQWLX-UHFFFAOYSA-N 1 3 313.449 2.232 20 30 DEEDHO C[NH+](C)CC1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000330665936 403301076 /nfs/dbraw/zinc/30/10/76/403301076.db2.gz HTAOSLNZEUPARK-UHFFFAOYSA-N 1 3 320.462 2.222 20 30 DEEDHO COc1ccc(C[NH2+]CCCN2CCCO[C@H](C)C2)cc1C#N ZINC000278017658 403280020 /nfs/dbraw/zinc/28/00/20/403280020.db2.gz WGEDIHVFXVZWHJ-OAHLLOKOSA-N 1 3 317.433 2.157 20 30 DEEDHO CN1CC=C(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000286337904 403503022 /nfs/dbraw/zinc/50/30/22/403503022.db2.gz YSWXYMAAERVCKS-UHFFFAOYSA-N 1 3 310.445 2.379 20 30 DEEDHO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@H]1N1CCN(C)CC1 ZINC000343922867 403793429 /nfs/dbraw/zinc/79/34/29/403793429.db2.gz LEYJNNIKSRXOLY-VQIMIIECSA-N 1 3 312.461 2.016 20 30 DEEDHO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H]1N1CCN(C)CC1 ZINC000343922867 403793432 /nfs/dbraw/zinc/79/34/32/403793432.db2.gz LEYJNNIKSRXOLY-VQIMIIECSA-N 1 3 312.461 2.016 20 30 DEEDHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCC(=O)N(C)CCC#N ZINC000348300748 404057673 /nfs/dbraw/zinc/05/76/73/404057673.db2.gz CKAOIURXYSTLGF-SJORKVTESA-N 1 3 322.497 2.239 20 30 DEEDHO C=CCC[C@H](O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000348332450 404060966 /nfs/dbraw/zinc/06/09/66/404060966.db2.gz UTTQMZAMWUOWMD-OTWHNJEPSA-N 1 3 300.446 2.377 20 30 DEEDHO C=CCC[C@H](O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000348332450 404060973 /nfs/dbraw/zinc/06/09/73/404060973.db2.gz UTTQMZAMWUOWMD-OTWHNJEPSA-N 1 3 300.446 2.377 20 30 DEEDHO C=CCN1CCC(NC(=O)N[C@H](C)C[N@@H+](C)CCCC)CC1 ZINC000357955398 404749086 /nfs/dbraw/zinc/74/90/86/404749086.db2.gz IQGGYXSHYKVSPO-OAHLLOKOSA-N 1 3 310.486 2.056 20 30 DEEDHO C=CCN1CCC(NC(=O)N[C@H](C)C[N@H+](C)CCCC)CC1 ZINC000357955398 404749089 /nfs/dbraw/zinc/74/90/89/404749089.db2.gz IQGGYXSHYKVSPO-OAHLLOKOSA-N 1 3 310.486 2.056 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]([NH2+]C)C1)C(C)C ZINC000417072228 405027287 /nfs/dbraw/zinc/02/72/87/405027287.db2.gz XAWQUCJVPLLTNU-DLBZAZTESA-N 1 3 322.497 2.078 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635530716 406576174 /nfs/dbraw/zinc/57/61/74/406576174.db2.gz JYHATAFADLIBIO-UHFFFAOYSA-N 1 3 305.466 2.019 20 30 DEEDHO N#Cc1csc(C[NH+]2CCC(CN3CCOCC3)CC2)c1 ZINC000134128188 196363367 /nfs/dbraw/zinc/36/33/67/196363367.db2.gz ODRPHJVRMARDQC-UHFFFAOYSA-N 1 3 305.447 2.164 20 30 DEEDHO C#CCN1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001328265900 1148758469 /nfs/dbraw/zinc/75/84/69/1148758469.db2.gz FGELPTQUAYEKCY-SJORKVTESA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC000648782402 424905214 /nfs/dbraw/zinc/90/52/14/424905214.db2.gz GHJGYPCYSUXJTJ-ZACQAIPSSA-N 1 3 307.482 2.141 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC000648782402 424905217 /nfs/dbraw/zinc/90/52/17/424905217.db2.gz GHJGYPCYSUXJTJ-ZACQAIPSSA-N 1 3 307.482 2.141 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1[NH2+]CCC1(C)C)C(C)C ZINC000662681612 425711678 /nfs/dbraw/zinc/71/16/78/425711678.db2.gz KEZXHABDHQPMPH-CVEARBPZSA-N 1 3 307.482 2.189 20 30 DEEDHO C=CC[C@@]1(C(=O)NC[C@H]2CCCCN2CCCC)CCC[NH2+]1 ZINC000662702094 425717400 /nfs/dbraw/zinc/71/74/00/425717400.db2.gz WLKHZHDBEMBGTQ-AEFFLSMTSA-N 1 3 307.482 2.456 20 30 DEEDHO CN1CCN(CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1(C)C ZINC000353631829 277106548 /nfs/dbraw/zinc/10/65/48/277106548.db2.gz JHOIIIQFDKODHO-GOSISDBHSA-N 1 3 312.461 2.161 20 30 DEEDHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc(CC#N)cc1 ZINC000343767686 335191509 /nfs/dbraw/zinc/19/15/09/335191509.db2.gz ONAQNHFTUREXDP-UHFFFAOYSA-N 1 3 314.477 2.210 20 30 DEEDHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc(CC#N)cc1 ZINC000343767686 335191510 /nfs/dbraw/zinc/19/15/10/335191510.db2.gz ONAQNHFTUREXDP-UHFFFAOYSA-N 1 3 314.477 2.210 20 30 DEEDHO CN(CC1([NH+](C)C)CCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280182364 500764809 /nfs/dbraw/zinc/76/48/09/500764809.db2.gz YIVYLESOVDJLCR-KRWDZBQOSA-N 1 3 324.428 2.183 20 30 DEEDHO C[NH+]=C(NCCNC(C)(C)C)N1CCS[C@@H](C(C)C)C1 ZINC000261703270 526360878 /nfs/dbraw/zinc/36/08/78/526360878.db2.gz GLCHWBKXJRQUHV-CYBMUJFWSA-N 1 3 300.516 2.023 20 30 DEEDHO C[NH+]=C(NCc1sccc1C)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261996001 526393713 /nfs/dbraw/zinc/39/37/13/526393713.db2.gz SLAHEKBOPRNRLR-UONOGXRCSA-N 1 3 308.495 2.450 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1CCC(F)(F)CC1 ZINC000261732799 529100990 /nfs/dbraw/zinc/10/09/90/529100990.db2.gz OKXRSLVDLPAFBS-ZDUSSCGKSA-N 1 3 302.413 2.201 20 30 DEEDHO C#CCN1CCC(C(=O)NC2CCC([NH2+]CC(C)C)CC2)CC1 ZINC001026609911 625561947 /nfs/dbraw/zinc/56/19/47/625561947.db2.gz YNVBRJHLHDOHIX-UHFFFAOYSA-N 1 3 319.493 2.005 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001020675727 623057131 /nfs/dbraw/zinc/05/71/31/623057131.db2.gz COWGILAESLZFBS-KKUMJFAQSA-N 1 3 313.873 2.239 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001020675727 623057139 /nfs/dbraw/zinc/05/71/39/623057139.db2.gz COWGILAESLZFBS-KKUMJFAQSA-N 1 3 313.873 2.239 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001021090608 623336363 /nfs/dbraw/zinc/33/63/63/623336363.db2.gz ILNVABAFSZCANE-QAQDUYKDSA-N 1 3 301.434 2.175 20 30 DEEDHO C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670230 623929197 /nfs/dbraw/zinc/92/91/97/623929197.db2.gz JMVLBASDNAWVAZ-SJORKVTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670230 623929203 /nfs/dbraw/zinc/92/92/03/623929203.db2.gz JMVLBASDNAWVAZ-SJORKVTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(Cl)CNC1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC000999509283 634614312 /nfs/dbraw/zinc/61/43/12/634614312.db2.gz PYDHMZGMRRJWBQ-UHFFFAOYSA-N 1 3 313.873 2.050 20 30 DEEDHO C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027886013 634873796 /nfs/dbraw/zinc/87/37/96/634873796.db2.gz MQKDOWWEURKZMB-SJLPKXTDSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027886013 634873800 /nfs/dbraw/zinc/87/38/00/634873800.db2.gz MQKDOWWEURKZMB-SJLPKXTDSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001000993028 635384811 /nfs/dbraw/zinc/38/48/11/635384811.db2.gz PLEZKUJMNPPFCJ-MRXNPFEDSA-N 1 3 301.434 2.128 20 30 DEEDHO C=CCN1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001001228870 635431372 /nfs/dbraw/zinc/43/13/72/635431372.db2.gz FPYVMIHRWYSJIL-QGZVFWFLSA-N 1 3 305.466 2.184 20 30 DEEDHO C=CCN1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001001228870 635431374 /nfs/dbraw/zinc/43/13/74/635431374.db2.gz FPYVMIHRWYSJIL-QGZVFWFLSA-N 1 3 305.466 2.184 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC000981809226 635665077 /nfs/dbraw/zinc/66/50/77/635665077.db2.gz AFBOPTJQGGLQOM-QGZVFWFLSA-N 1 3 319.493 2.075 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC000981809226 635665080 /nfs/dbraw/zinc/66/50/80/635665080.db2.gz AFBOPTJQGGLQOM-QGZVFWFLSA-N 1 3 319.493 2.075 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC000981864956 635699376 /nfs/dbraw/zinc/69/93/76/635699376.db2.gz IUQANWOSKIUVOS-QGZVFWFLSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC000981864956 635699378 /nfs/dbraw/zinc/69/93/78/635699378.db2.gz IUQANWOSKIUVOS-QGZVFWFLSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001028181644 635783057 /nfs/dbraw/zinc/78/30/57/635783057.db2.gz XGEXCWUPSQUHCQ-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001028181644 635783060 /nfs/dbraw/zinc/78/30/60/635783060.db2.gz XGEXCWUPSQUHCQ-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC000981991411 635795702 /nfs/dbraw/zinc/79/57/02/635795702.db2.gz HAGCYEGUXMWZSN-MRXNPFEDSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC000981991411 635795704 /nfs/dbraw/zinc/79/57/04/635795704.db2.gz HAGCYEGUXMWZSN-MRXNPFEDSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC000982011390 635809553 /nfs/dbraw/zinc/80/95/53/635809553.db2.gz AGKKTNPUTMRPGR-KRWDZBQOSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC000982011390 635809558 /nfs/dbraw/zinc/80/95/58/635809558.db2.gz AGKKTNPUTMRPGR-KRWDZBQOSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)CC[NH+]1CCC(NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001004203146 636222099 /nfs/dbraw/zinc/22/20/99/636222099.db2.gz HWXDHVOWZHAECQ-HOTGVXAUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982553992 636262658 /nfs/dbraw/zinc/26/26/58/636262658.db2.gz RCLYXEZGWAUVJH-YTQUADARSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982553992 636262662 /nfs/dbraw/zinc/26/26/62/636262662.db2.gz RCLYXEZGWAUVJH-YTQUADARSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982554078 636263582 /nfs/dbraw/zinc/26/35/82/636263582.db2.gz UMMLQMCJDVEKTG-QRQLOZEOSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982554078 636263584 /nfs/dbraw/zinc/26/35/84/636263584.db2.gz UMMLQMCJDVEKTG-QRQLOZEOSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004458816 636459773 /nfs/dbraw/zinc/45/97/73/636459773.db2.gz QWKSIFYPNHJZAM-ROUUACIJSA-N 1 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ZINC001071600044 789804131 /nfs/dbraw/zinc/80/41/31/789804131.db2.gz FERLHGRTXHXIID-IAGOWNOFSA-N 1 3 319.493 2.408 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC2CCC2)CC1 ZINC001146610598 791322770 /nfs/dbraw/zinc/32/27/70/791322770.db2.gz KPWMEQRVXFTCSU-HOTGVXAUSA-N 1 3 319.493 2.005 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@]2(C)C1 ZINC001092302246 791974058 /nfs/dbraw/zinc/97/40/58/791974058.db2.gz VBYQCHAVVLJUIX-LMMKCTJWSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@]2(C)C1 ZINC001092302246 791974066 /nfs/dbraw/zinc/97/40/66/791974066.db2.gz VBYQCHAVVLJUIX-LMMKCTJWSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)[C@H](C)C1 ZINC001092603041 792081222 /nfs/dbraw/zinc/08/12/22/792081222.db2.gz RYMJSXZNQFBGFG-BRWVUGGUSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)[C@H](C)C1 ZINC001092603041 792081233 /nfs/dbraw/zinc/08/12/33/792081233.db2.gz RYMJSXZNQFBGFG-BRWVUGGUSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001101576042 793242266 /nfs/dbraw/zinc/24/22/66/793242266.db2.gz SPDCYNUGCWQWLW-INIZCTEOSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CC[NH2+]CC(C)(C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001101596129 793260455 /nfs/dbraw/zinc/26/04/55/793260455.db2.gz KLQODKJKDKJMQB-UHFFFAOYSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001094937114 793470745 /nfs/dbraw/zinc/47/07/45/793470745.db2.gz FMQPIUGUXCQNNR-UXLLHSPISA-N 1 3 305.466 2.016 20 30 DEEDHO CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CN(C)C(C)C ZINC001177489220 794680884 /nfs/dbraw/zinc/68/08/84/794680884.db2.gz VCUGORJTHJWYSJ-UHFFFAOYSA-N 1 3 321.509 2.348 20 30 DEEDHO C=CC[NH2+]C1(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CCCCC1 ZINC001120189393 795419492 /nfs/dbraw/zinc/41/94/92/795419492.db2.gz IYKWGIJZGVGDIH-HOTGVXAUSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001181755825 795533809 /nfs/dbraw/zinc/53/38/09/795533809.db2.gz XMSXAEMKESAYTP-HHXXYDBFSA-N 1 3 321.509 2.367 20 30 DEEDHO C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)CN(C)C(C)C)C2)C1 ZINC001122249833 795739129 /nfs/dbraw/zinc/73/91/29/795739129.db2.gz YQPVABZFGQYGTP-UHFFFAOYSA-N 1 3 313.873 2.096 20 30 DEEDHO CC1([NH+]2CCCC2)CCC(NC(=O)[C@@H](N)CCCCC#N)CC1 ZINC001122247262 795739475 /nfs/dbraw/zinc/73/94/75/795739475.db2.gz CAGYMRUKVRJDHG-PQUAAJSLSA-N 1 3 320.481 2.311 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001184555840 796083651 /nfs/dbraw/zinc/08/36/51/796083651.db2.gz MIPFZJCQLIJQPM-CVEARBPZSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001184714294 796109395 /nfs/dbraw/zinc/10/93/95/796109395.db2.gz WWJHQWRCDWIMCB-CVEARBPZSA-N 1 3 309.498 2.367 20 30 DEEDHO C#CC1CCN(Cc2cc(C[NH+](C)C)c(O)c(OC)c2)CC1 ZINC001139259579 796351399 /nfs/dbraw/zinc/35/13/99/796351399.db2.gz WWFUFVQVZVCSPL-UHFFFAOYSA-N 1 3 302.418 2.308 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC001141569220 796677081 /nfs/dbraw/zinc/67/70/81/796677081.db2.gz CMPQYOJMVILGCO-SFHVURJKSA-N 1 3 315.461 2.057 20 30 DEEDHO C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190646137 797047816 /nfs/dbraw/zinc/04/78/16/797047816.db2.gz XWRBNEPWLXAMIV-CVEARBPZSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190646137 797047822 /nfs/dbraw/zinc/04/78/22/797047822.db2.gz XWRBNEPWLXAMIV-CVEARBPZSA-N 1 3 307.482 2.358 20 30 DEEDHO CC#CCN(CC)[C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001154464749 797539521 /nfs/dbraw/zinc/53/95/21/797539521.db2.gz WJPGDSSSVZKCPY-QGZVFWFLSA-N 1 3 321.509 2.491 20 30 DEEDHO CC#CCN(CC)[C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001154464749 797539524 /nfs/dbraw/zinc/53/95/24/797539524.db2.gz WJPGDSSSVZKCPY-QGZVFWFLSA-N 1 3 321.509 2.491 20 30 DEEDHO C=CCCC[N@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196010256 797993035 /nfs/dbraw/zinc/99/30/35/797993035.db2.gz LVSFGCPUTQZDRZ-INIZCTEOSA-N 1 3 313.461 2.167 20 30 DEEDHO C=CCCC[N@@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196010256 797993039 /nfs/dbraw/zinc/99/30/39/797993039.db2.gz LVSFGCPUTQZDRZ-INIZCTEOSA-N 1 3 313.461 2.167 20 30 DEEDHO C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001158480374 798413354 /nfs/dbraw/zinc/41/33/54/798413354.db2.gz LDLVKHJLKVFDIT-QGZVFWFLSA-N 1 3 321.509 2.301 20 30 DEEDHO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001158480374 798413358 /nfs/dbraw/zinc/41/33/58/798413358.db2.gz LDLVKHJLKVFDIT-QGZVFWFLSA-N 1 3 321.509 2.301 20 30 DEEDHO C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001158507679 798419092 /nfs/dbraw/zinc/41/90/92/798419092.db2.gz MDFJTTZDJACTLZ-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001158507679 798419096 /nfs/dbraw/zinc/41/90/96/798419096.db2.gz MDFJTTZDJACTLZ-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@H+]1CC=C(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001161205080 798809233 /nfs/dbraw/zinc/80/92/33/798809233.db2.gz CDLGKNVSZHSSQJ-INIZCTEOSA-N 1 3 305.466 2.185 20 30 DEEDHO C=C(C)C[N@@H+]1CC=C(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001161205080 798809239 /nfs/dbraw/zinc/80/92/39/798809239.db2.gz CDLGKNVSZHSSQJ-INIZCTEOSA-N 1 3 305.466 2.185 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001110682746 798964448 /nfs/dbraw/zinc/96/44/48/798964448.db2.gz BANNYYFKDSYNCH-VQHPVUNQSA-N 1 3 305.466 2.158 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001110682746 798964455 /nfs/dbraw/zinc/96/44/55/798964455.db2.gz BANNYYFKDSYNCH-VQHPVUNQSA-N 1 3 305.466 2.158 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N(C)CC ZINC001114488451 799147886 /nfs/dbraw/zinc/14/78/86/799147886.db2.gz NQUOVJBQXRHDPI-CAOSSQGBSA-N 1 3 307.482 2.118 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N(C)CC ZINC001114488451 799147891 /nfs/dbraw/zinc/14/78/91/799147891.db2.gz NQUOVJBQXRHDPI-CAOSSQGBSA-N 1 3 307.482 2.118 20 30 DEEDHO CCN(CC)CCNC(=[NH2+])Nc1ccc(C2(C#N)CCC2)cn1 ZINC001163125704 799252060 /nfs/dbraw/zinc/25/20/60/799252060.db2.gz HKBMHPXPTQXVFP-UHFFFAOYSA-N 1 3 314.437 2.305 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209660284 801249291 /nfs/dbraw/zinc/24/92/91/801249291.db2.gz PFPOCBHMISFZCE-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001229503557 801285662 /nfs/dbraw/zinc/28/56/62/801285662.db2.gz KUCFLIMHRLMSLX-ZIAGYGMSSA-N 1 3 301.862 2.098 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001229503557 801285667 /nfs/dbraw/zinc/28/56/67/801285667.db2.gz KUCFLIMHRLMSLX-ZIAGYGMSSA-N 1 3 301.862 2.098 20 30 DEEDHO C=CCCCCC[C@H](N)C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220159081 802416319 /nfs/dbraw/zinc/41/63/19/802416319.db2.gz MEDXCHNRRDSSCK-SOLBZPMBSA-N 1 3 307.482 2.489 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226781988 803158823 /nfs/dbraw/zinc/15/88/23/803158823.db2.gz GZQFBQMZLVFYQN-HZPDHXFCSA-N 1 3 307.482 2.454 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN(C)CC(C)(C)C ZINC001328764263 1148832520 /nfs/dbraw/zinc/83/25/20/1148832520.db2.gz JUFOEFWGKPPJTM-INIZCTEOSA-N 1 3 309.498 2.463 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)CN(C)CC(C)(C)C ZINC001328764263 1148832522 /nfs/dbraw/zinc/83/25/22/1148832522.db2.gz JUFOEFWGKPPJTM-INIZCTEOSA-N 1 3 309.498 2.463 20 30 DEEDHO CC#CC[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)CC(C)(C)C1 ZINC001479747600 1061675291 /nfs/dbraw/zinc/67/52/91/1061675291.db2.gz ZTOXBXLUOUIIPI-INIZCTEOSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)CC(C)(C)C1 ZINC001479747600 1061675297 /nfs/dbraw/zinc/67/52/97/1061675297.db2.gz ZTOXBXLUOUIIPI-INIZCTEOSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCC[NH+]1CCC([C@H](C)NC(=O)Cc2nc[nH]c2C)CC1 ZINC001508082739 1063544394 /nfs/dbraw/zinc/54/43/94/1063544394.db2.gz KDGXBARPBURVLG-ZDUSSCGKSA-N 1 3 304.438 2.053 20 30 DEEDHO C=CCCC[NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1 ZINC001508142014 1063579546 /nfs/dbraw/zinc/57/95/46/1063579546.db2.gz JFXACFWUCIICDU-UHFFFAOYSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCCN1CC[C@@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001494840015 1064501245 /nfs/dbraw/zinc/50/12/45/1064501245.db2.gz QHBCSZPHPAIABH-GOSISDBHSA-N 1 3 319.493 2.197 20 30 DEEDHO C#CCCN1CC[C@@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001494840015 1064501249 /nfs/dbraw/zinc/50/12/49/1064501249.db2.gz QHBCSZPHPAIABH-GOSISDBHSA-N 1 3 319.493 2.197 20 30 DEEDHO C#CCC[NH2+]C[C@]1(NC(=O)CN(C)C(C)C)CCCC[C@@H]1C ZINC001568043884 1064615710 /nfs/dbraw/zinc/61/57/10/1064615710.db2.gz QEVFAFQCGMPICH-FUHWJXTLSA-N 1 3 307.482 2.005 20 30 DEEDHO C=CCC[NH2+]CCC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001568098928 1064645960 /nfs/dbraw/zinc/64/59/60/1064645960.db2.gz RWMOSRZTWDVZDO-KRWDZBQOSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001568131953 1064663425 /nfs/dbraw/zinc/66/34/25/1064663425.db2.gz CPEQHMNEMHASIW-KRWDZBQOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001568368251 1064811828 /nfs/dbraw/zinc/81/18/28/1064811828.db2.gz FDHOSGANKWJTCK-IAGOWNOFSA-N 1 3 307.482 2.121 20 30 DEEDHO C#CCN1CCC[C@@](C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001569723319 1065691575 /nfs/dbraw/zinc/69/15/75/1065691575.db2.gz UOYPDNKCDUBVHY-MJGOQNOKSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1CC ZINC001498897383 1066946039 /nfs/dbraw/zinc/94/60/39/1066946039.db2.gz CXNDJTYSVIYFOM-JKSUJKDBSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001499120905 1067107189 /nfs/dbraw/zinc/10/71/89/1067107189.db2.gz XRTXHPBXGJVWPA-QGZVFWFLSA-N 1 3 307.482 2.409 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001483935513 1079195732 /nfs/dbraw/zinc/19/57/32/1079195732.db2.gz XNBBXHJJKYLAGQ-CVEARBPZSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001484113210 1079305883 /nfs/dbraw/zinc/30/58/83/1079305883.db2.gz DRMYHFYMSIGGMX-YOEHRIQHSA-N 1 3 304.438 2.135 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001496338114 1079423764 /nfs/dbraw/zinc/42/37/64/1079423764.db2.gz AWJLRHVWXSQTOH-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001484339101 1079549265 /nfs/dbraw/zinc/54/92/65/1079549265.db2.gz STMRKCXKDWWDGG-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001484618276 1079688989 /nfs/dbraw/zinc/68/89/89/1079688989.db2.gz NBJPYYYIEDBDFT-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CC[NH2+]C1(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CCC1 ZINC001484653089 1079710147 /nfs/dbraw/zinc/71/01/47/1079710147.db2.gz MBHAFQFJBGULDE-KRWDZBQOSA-N 1 3 311.445 2.013 20 30 DEEDHO C=CCCCCC[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001272699328 1080153275 /nfs/dbraw/zinc/15/32/75/1080153275.db2.gz HGBCNWOLHFWEDS-GOSISDBHSA-N 1 3 307.482 2.219 20 30 DEEDHO C=CCCCCC[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001272699328 1080153280 /nfs/dbraw/zinc/15/32/80/1080153280.db2.gz HGBCNWOLHFWEDS-GOSISDBHSA-N 1 3 307.482 2.219 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001279288979 1080195943 /nfs/dbraw/zinc/19/59/43/1080195943.db2.gz UVNZQHGVTXNMJO-WKILWMFISA-N 1 3 318.465 2.349 20 30 DEEDHO CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001485740140 1080400983 /nfs/dbraw/zinc/40/09/83/1080400983.db2.gz HYQVTDYIMRZOLD-DLBZAZTESA-N 1 3 307.482 2.147 20 30 DEEDHO CC#CCN(CCC)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001663671950 1080800191 /nfs/dbraw/zinc/80/01/91/1080800191.db2.gz HBKCWKKUDWGUIK-UHFFFAOYSA-N 1 3 321.509 2.350 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001482172057 1080878653 /nfs/dbraw/zinc/87/86/53/1080878653.db2.gz MVDFAEBZUDKTBD-ZDUSSCGKSA-N 1 3 323.868 2.456 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001666620920 1081168002 /nfs/dbraw/zinc/16/80/02/1081168002.db2.gz UZGCHOZGOYBGIZ-RHSMWYFYSA-N 1 3 313.461 2.117 20 30 DEEDHO CC#CC[NH2+]C[C@H](NC(=O)[C@H](CC)N(C)C)C1CCCCC1 ZINC001667143879 1081215840 /nfs/dbraw/zinc/21/58/40/1081215840.db2.gz DKPRKVVCSIAJNW-IRXDYDNUSA-N 1 3 307.482 2.005 20 30 DEEDHO C=CCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001667278573 1081232308 /nfs/dbraw/zinc/23/23/08/1081232308.db2.gz AQICYEPHSCRWGH-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[NH+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)CC1 ZINC001673017027 1081731878 /nfs/dbraw/zinc/73/18/78/1081731878.db2.gz VNHGHVFMRBNGRK-UHFFFAOYSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001674504603 1081883227 /nfs/dbraw/zinc/88/32/27/1081883227.db2.gz FYZAZWMKCFIYRZ-DLBZAZTESA-N 1 3 307.482 2.073 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001674504603 1081883232 /nfs/dbraw/zinc/88/32/32/1081883232.db2.gz FYZAZWMKCFIYRZ-DLBZAZTESA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001271499483 1082064644 /nfs/dbraw/zinc/06/46/44/1082064644.db2.gz MUFFOABJPJMQOH-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001271541763 1082077557 /nfs/dbraw/zinc/07/75/57/1082077557.db2.gz YVGPXEIRWOZUBN-DLBZAZTESA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[NH2+]C1CCC(NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001266909289 1082447270 /nfs/dbraw/zinc/44/72/70/1082447270.db2.gz LQTMHLJBFCWEBF-OFLPRAFFSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001276841768 1083642418 /nfs/dbraw/zinc/64/24/18/1083642418.db2.gz YFTDZVKESXMMRU-ULQDDVLXSA-N 1 3 321.509 2.367 20 30 DEEDHO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001276841768 1083642423 /nfs/dbraw/zinc/64/24/23/1083642423.db2.gz YFTDZVKESXMMRU-ULQDDVLXSA-N 1 3 321.509 2.367 20 30 DEEDHO C#CC[N@@H+](CCNC(=O)CN(C)C(C)C)C1CCCCCC1 ZINC001670980154 1084182329 /nfs/dbraw/zinc/18/23/29/1084182329.db2.gz JMPCVRBMEIYZQJ-UHFFFAOYSA-N 1 3 307.482 2.101 20 30 DEEDHO C#CC[N@H+](CCNC(=O)CN(C)C(C)C)C1CCCCCC1 ZINC001670980154 1084182335 /nfs/dbraw/zinc/18/23/35/1084182335.db2.gz JMPCVRBMEIYZQJ-UHFFFAOYSA-N 1 3 307.482 2.101 20 30 DEEDHO C=CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001078700091 1084814937 /nfs/dbraw/zinc/81/49/37/1084814937.db2.gz GPCWDLLHUJEFJN-GJZGRUSLSA-N 1 3 305.466 2.064 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001078695089 1084828497 /nfs/dbraw/zinc/82/84/97/1084828497.db2.gz HOMGEQPSBUDPSY-CVEARBPZSA-N 1 3 319.493 2.454 20 30 DEEDHO C=CCN(C)CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C(C)C ZINC001486376483 1085248078 /nfs/dbraw/zinc/24/80/78/1085248078.db2.gz FSMNFOFGJWVEBK-SJORKVTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCN(C)CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C(C)C ZINC001486376483 1085248087 /nfs/dbraw/zinc/24/80/87/1085248087.db2.gz FSMNFOFGJWVEBK-SJORKVTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1CCCC ZINC000962268019 1086044683 /nfs/dbraw/zinc/04/46/83/1086044683.db2.gz CKGNTJZNTOTZFE-XWTMOSNGSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1CCCC ZINC000962268019 1086044698 /nfs/dbraw/zinc/04/46/98/1086044698.db2.gz CKGNTJZNTOTZFE-XWTMOSNGSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001114795238 1088530198 /nfs/dbraw/zinc/53/01/98/1088530198.db2.gz YRUGHSFPNIGAGB-VSZNYVQBSA-N 1 3 321.509 2.365 20 30 DEEDHO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001114795238 1088530208 /nfs/dbraw/zinc/53/02/08/1088530208.db2.gz YRUGHSFPNIGAGB-VSZNYVQBSA-N 1 3 321.509 2.365 20 30 DEEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001080700112 1089148680 /nfs/dbraw/zinc/14/86/80/1089148680.db2.gz MNIWKGTZMQZUQN-NVXWUHKLSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1ccccc1 ZINC001081189033 1089368930 /nfs/dbraw/zinc/36/89/30/1089368930.db2.gz LOKRETNIUHPXCJ-ZWKOTPCHSA-N 1 3 324.428 2.113 20 30 DEEDHO C=CCCC[N@@H+](CC)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001274960487 1091487111 /nfs/dbraw/zinc/48/71/11/1091487111.db2.gz OMAGGWJWWKYKMJ-UHFFFAOYSA-N 1 3 318.465 2.479 20 30 DEEDHO C=CCCC[N@H+](CC)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001274960487 1091487120 /nfs/dbraw/zinc/48/71/20/1091487120.db2.gz OMAGGWJWWKYKMJ-UHFFFAOYSA-N 1 3 318.465 2.479 20 30 DEEDHO C=C(Cl)CNC1CC(N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001411285641 1091548878 /nfs/dbraw/zinc/54/88/78/1091548878.db2.gz WBJSKZIBXBBEJD-UHFFFAOYSA-N 1 3 301.862 2.050 20 30 DEEDHO C=C(Cl)CNC1CC(N(C)C(=O)CC[N@H+](C)CCC)C1 ZINC001411285641 1091548886 /nfs/dbraw/zinc/54/88/86/1091548886.db2.gz WBJSKZIBXBBEJD-UHFFFAOYSA-N 1 3 301.862 2.050 20 30 DEEDHO C#CCN1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001273475815 1091869250 /nfs/dbraw/zinc/86/92/50/1091869250.db2.gz UAZPDXXMNADLQO-MSOLQXFVSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001488689266 1092688151 /nfs/dbraw/zinc/68/81/51/1092688151.db2.gz KVZZWQBIVMJJDT-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001488689266 1092688157 /nfs/dbraw/zinc/68/81/57/1092688157.db2.gz KVZZWQBIVMJJDT-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCCCCC[C@H](O)C[NH2+]CCN1CCCN(C)CC1 ZINC001253250529 1093701975 /nfs/dbraw/zinc/70/19/75/1093701975.db2.gz BHTQTKVJASSQFC-SFHVURJKSA-N 1 3 311.514 2.101 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(CC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001318490832 1140347890 /nfs/dbraw/zinc/34/78/90/1140347890.db2.gz DKKFYMJQDBGYHO-QGZVFWFLSA-N 1 3 307.482 2.361 20 30 DEEDHO CC#CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1CCCCC1 ZINC001319662979 1140651309 /nfs/dbraw/zinc/65/13/09/1140651309.db2.gz KZAZYYUQHJJDIT-MSOLQXFVSA-N 1 3 321.509 2.251 20 30 DEEDHO CC#CC[N@H+](CCNC(=O)CN(C)C(C)C)C1CCCCCC1 ZINC001323722247 1141880712 /nfs/dbraw/zinc/88/07/12/1141880712.db2.gz NQFOAPKYKVOYRI-UHFFFAOYSA-N 1 3 321.509 2.491 20 30 DEEDHO CC#CC[N@@H+](CCNC(=O)CN(C)C(C)C)C1CCCCCC1 ZINC001323722247 1141880718 /nfs/dbraw/zinc/88/07/18/1141880718.db2.gz NQFOAPKYKVOYRI-UHFFFAOYSA-N 1 3 321.509 2.491 20 30 DEEDHO C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001278631954 1142384190 /nfs/dbraw/zinc/38/41/90/1142384190.db2.gz AJYRLZVKHUBKDG-INIZCTEOSA-N 1 3 309.498 2.367 20 30 DEEDHO C#CCN1CC[NH+]([C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256556247 1143853596 /nfs/dbraw/zinc/85/35/96/1143853596.db2.gz XREDTVNVOKZOJE-UYAOXDASSA-N 1 3 311.473 2.290 20 30 DEEDHO N#Cc1cc(C[NH2+]C2CCC(N3CCOCC3)CC2)ccc1F ZINC001256686237 1143862255 /nfs/dbraw/zinc/86/22/55/1143862255.db2.gz MXCRYMNXTBHQII-UHFFFAOYSA-N 1 3 317.408 2.430 20 30 DEEDHO CCCCCCCC[C@H](N)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001263238849 1144362791 /nfs/dbraw/zinc/36/27/91/1144362791.db2.gz VKVBKLBSIQTFJM-HNNXBMFYSA-N 1 3 313.486 2.031 20 30 DEEDHO CC#CC[NH2+]C1(CC)CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001281038029 1144869676 /nfs/dbraw/zinc/86/96/76/1144869676.db2.gz XIMJMCPWDMXWCJ-UHFFFAOYSA-N 1 3 321.509 2.348 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)CCC)C2)CC1 ZINC001316668998 1146916370 /nfs/dbraw/zinc/91/63/70/1146916370.db2.gz KVEFOGKXUFRKHH-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCCCC)CC1 ZINC001317513194 1147542088 /nfs/dbraw/zinc/54/20/88/1147542088.db2.gz ILNYGVDLYZNVAZ-GOSISDBHSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCCCC)CC1 ZINC001317513194 1147542090 /nfs/dbraw/zinc/54/20/90/1147542090.db2.gz ILNYGVDLYZNVAZ-GOSISDBHSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001316935662 1147634719 /nfs/dbraw/zinc/63/47/19/1147634719.db2.gz NTDVAMHJWRJHJK-QGZVFWFLSA-N 1 3 309.498 2.462 20 30 DEEDHO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001317172795 1147670452 /nfs/dbraw/zinc/67/04/52/1147670452.db2.gz FBOPQWPGBJOHCZ-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001317172795 1147670453 /nfs/dbraw/zinc/67/04/53/1147670453.db2.gz FBOPQWPGBJOHCZ-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C[C@H](NC1CCN(Cc2cccc(C#N)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000593321950 358054430 /nfs/dbraw/zinc/05/44/30/358054430.db2.gz JZTLPHOFXCNMOQ-HNAYVOBHSA-N 1 3 312.461 2.253 20 30 DEEDHO C[C@@H](CCC#N)C[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000602593569 360448059 /nfs/dbraw/zinc/44/80/59/360448059.db2.gz JWBWILXRNAEBBQ-HNNXBMFYSA-N 1 3 316.449 2.007 20 30 DEEDHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(C#N)cs1 ZINC000349063559 146346001 /nfs/dbraw/zinc/34/60/01/146346001.db2.gz QFYCQJKOEINLGW-UHFFFAOYSA-N 1 3 306.479 2.078 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@H](CC(C)C)[NH+](CC)CC)CC1 ZINC000112914938 401761871 /nfs/dbraw/zinc/76/18/71/401761871.db2.gz UHSQEGUEJLLVML-SFHVURJKSA-N 1 3 321.509 2.204 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000115823648 401837566 /nfs/dbraw/zinc/83/75/66/401837566.db2.gz YDCNZGZCTCFQMN-INIZCTEOSA-N 1 3 322.497 2.010 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000115823648 401837567 /nfs/dbraw/zinc/83/75/67/401837567.db2.gz YDCNZGZCTCFQMN-INIZCTEOSA-N 1 3 322.497 2.010 20 30 DEEDHO CC1CCN(C(=[NH2+])NCCCN2CCc3ccccc3C2)CC1 ZINC000122472340 402079697 /nfs/dbraw/zinc/07/96/97/402079697.db2.gz BUSURQJETCDZQC-UHFFFAOYSA-N 1 3 314.477 2.481 20 30 DEEDHO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000185896084 402386965 /nfs/dbraw/zinc/38/69/65/402386965.db2.gz NEIVTSZYCVXKRZ-SNRMKQJTSA-N 1 3 313.445 2.425 20 30 DEEDHO N#Cc1ccc(CC(C#N)C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000279691785 402961302 /nfs/dbraw/zinc/96/13/02/402961302.db2.gz FYKNPTNFVDFUOH-GOSISDBHSA-N 1 3 324.428 2.233 20 30 DEEDHO [NH2+]=C(NCc1ccccc1CN1CC[C@@H](O)C1)Nc1ccccc1 ZINC000272892333 402961459 /nfs/dbraw/zinc/96/14/59/402961459.db2.gz IYIAIVRQZFRUSL-GOSISDBHSA-N 1 3 324.428 2.180 20 30 DEEDHO C#CCN(C)CCC[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000295070482 403750119 /nfs/dbraw/zinc/75/01/19/403750119.db2.gz RZVPJWRHBHYGKJ-ICSRJNTNSA-N 1 3 313.489 2.442 20 30 DEEDHO C=CCN1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000361768054 403853578 /nfs/dbraw/zinc/85/35/78/403853578.db2.gz YEQKLRWTRKHEKQ-RDJZCZTQSA-N 1 3 322.497 2.151 20 30 DEEDHO C=CCN1CCC(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000361768054 403853580 /nfs/dbraw/zinc/85/35/80/403853580.db2.gz YEQKLRWTRKHEKQ-RDJZCZTQSA-N 1 3 322.497 2.151 20 30 DEEDHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000348269035 404056574 /nfs/dbraw/zinc/05/65/74/404056574.db2.gz QGZHOQPMQQGYSK-KZNAEPCWSA-N 1 3 324.428 2.230 20 30 DEEDHO C#Cc1ccc(CNCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000290532636 404209758 /nfs/dbraw/zinc/20/97/58/404209758.db2.gz YFWBGPJMAQHNII-UHFFFAOYSA-N 1 3 309.413 2.293 20 30 DEEDHO C=CCC[C@H](CC)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414201126 404547193 /nfs/dbraw/zinc/54/71/93/404547193.db2.gz SNHGPKCMXQTIQC-KRWDZBQOSA-N 1 3 309.498 2.117 20 30 DEEDHO C=CCN1CCC(NC(=O)N[C@@H](C)C[N@@H+](CC)CCC)CC1 ZINC000357983005 404750530 /nfs/dbraw/zinc/75/05/30/404750530.db2.gz YKAOJPIHXPZTKZ-HNNXBMFYSA-N 1 3 310.486 2.056 20 30 DEEDHO C=CCN1CCC(NC(=O)N[C@@H](C)C[N@H+](CC)CCC)CC1 ZINC000357983005 404750533 /nfs/dbraw/zinc/75/05/33/404750533.db2.gz YKAOJPIHXPZTKZ-HNNXBMFYSA-N 1 3 310.486 2.056 20 30 DEEDHO C=CC[C@H]1[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)CCCC1(C)C ZINC000414760259 404726236 /nfs/dbraw/zinc/72/62/36/404726236.db2.gz QDGAUTAKXWCVIY-HZPDHXFCSA-N 1 3 307.482 2.250 20 30 DEEDHO C=CC[C@H]1[N@H+](C[C@H]2CCCN(C(=O)CN)C2)CCCC1(C)C ZINC000414760259 404726240 /nfs/dbraw/zinc/72/62/40/404726240.db2.gz QDGAUTAKXWCVIY-HZPDHXFCSA-N 1 3 307.482 2.250 20 30 DEEDHO CN(C)C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(Cl)cc1 ZINC000424171048 405027997 /nfs/dbraw/zinc/02/79/97/405027997.db2.gz IRQVPSDHTXWELW-GJZGRUSLSA-N 1 3 322.840 2.080 20 30 DEEDHO C=CCN(CC=C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000580462016 405622423 /nfs/dbraw/zinc/62/24/23/405622423.db2.gz NNOIHFGQJMJTFU-UHFFFAOYSA-N 1 3 319.493 2.383 20 30 DEEDHO C=CC[C@@H](C)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000583943699 405794409 /nfs/dbraw/zinc/79/44/09/405794409.db2.gz QTWJQJAWPZZHTG-OAHLLOKOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000517324678 406125469 /nfs/dbraw/zinc/12/54/69/406125469.db2.gz XUFDRRSJESQKCO-MRXNPFEDSA-N 1 3 322.497 2.056 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000517324678 406125472 /nfs/dbraw/zinc/12/54/72/406125472.db2.gz XUFDRRSJESQKCO-MRXNPFEDSA-N 1 3 322.497 2.056 20 30 DEEDHO CC[N@@H+]1CCC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000471949756 406131165 /nfs/dbraw/zinc/13/11/65/406131165.db2.gz YHPNUTVRLAQLRK-MSOLQXFVSA-N 1 3 324.428 2.089 20 30 DEEDHO CC[N@H+]1CCC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000471949756 406131167 /nfs/dbraw/zinc/13/11/67/406131167.db2.gz YHPNUTVRLAQLRK-MSOLQXFVSA-N 1 3 324.428 2.089 20 30 DEEDHO C=CCOc1ccc(CN(C)CCN2CC[NH2+]CC2)cc1Cl ZINC000647493035 407007029 /nfs/dbraw/zinc/00/70/29/407007029.db2.gz QIMSRQJRIYLQIP-UHFFFAOYSA-N 1 3 323.868 2.242 20 30 DEEDHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCSCc1ccccc1C#N ZINC000422984961 230304824 /nfs/dbraw/zinc/30/48/24/230304824.db2.gz BSZQHUOHLQVDNV-XKQJLSEDSA-N 1 3 319.474 2.133 20 30 DEEDHO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000665392980 425561728 /nfs/dbraw/zinc/56/17/28/425561728.db2.gz KOMUOEBNVQSAQC-SJORKVTESA-N 1 3 324.513 2.256 20 30 DEEDHO C=CC[C@]1(C(=O)NC[C@@H]2CCCCN2CCCC)CCC[NH2+]1 ZINC000662702095 425717167 /nfs/dbraw/zinc/71/71/67/425717167.db2.gz WLKHZHDBEMBGTQ-FUHWJXTLSA-N 1 3 307.482 2.456 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]21 ZINC001026359919 625352184 /nfs/dbraw/zinc/35/21/84/625352184.db2.gz HCPPSCRZXQHEIA-YESZJQIVSA-N 1 3 319.493 2.121 20 30 DEEDHO CC#CCN1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947311115 625447153 /nfs/dbraw/zinc/44/71/53/625447153.db2.gz YGFKSEPNIGYPNI-DLBZAZTESA-N 1 3 319.493 2.243 20 30 DEEDHO C=C(C)CN1C[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974650267 633207442 /nfs/dbraw/zinc/20/74/42/633207442.db2.gz IIDVWMLYYLKXBX-SJORKVTESA-N 1 3 321.509 2.367 20 30 DEEDHO C=C(C)CN1C[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974650267 633207447 /nfs/dbraw/zinc/20/74/47/633207447.db2.gz IIDVWMLYYLKXBX-SJORKVTESA-N 1 3 321.509 2.367 20 30 DEEDHO C#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000998105228 634142797 /nfs/dbraw/zinc/14/27/97/634142797.db2.gz XSSORDJFLQQROG-BZSNNMDCSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000998105228 634142801 /nfs/dbraw/zinc/14/28/01/634142801.db2.gz XSSORDJFLQQROG-BZSNNMDCSA-N 1 3 319.493 2.053 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000836918864 650145966 /nfs/dbraw/zinc/14/59/66/650145966.db2.gz BXEAMWYPVOZZPD-MRXNPFEDSA-N 1 3 315.461 2.085 20 30 DEEDHO C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001002791976 635798540 /nfs/dbraw/zinc/79/85/40/635798540.db2.gz LANRFJNBVFPHAO-QGZVFWFLSA-N 1 3 307.482 2.406 20 30 DEEDHO CC1(C)CCCN1CCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000263182242 640103285 /nfs/dbraw/zinc/10/32/85/640103285.db2.gz UJNPPZQWUMWUKG-HNNXBMFYSA-N 1 3 316.449 2.289 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000900014017 642237227 /nfs/dbraw/zinc/23/72/27/642237227.db2.gz VCRSPNMVADGHKC-SFHVURJKSA-N 1 3 317.477 2.476 20 30 DEEDHO C=CCC(F)(F)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCN1CC ZINC000815206144 646986879 /nfs/dbraw/zinc/98/68/79/646986879.db2.gz IJHSWZULEBEELN-AWEZNQCLSA-N 1 3 317.424 2.072 20 30 DEEDHO CN(C)C[C@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000179636279 648406136 /nfs/dbraw/zinc/40/61/36/648406136.db2.gz IEVNRYJDJQJNOE-QGZVFWFLSA-N 1 3 300.450 2.420 20 30 DEEDHO CN(C)C[C@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000179636279 648406139 /nfs/dbraw/zinc/40/61/39/648406139.db2.gz IEVNRYJDJQJNOE-QGZVFWFLSA-N 1 3 300.450 2.420 20 30 DEEDHO CC#CCN1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940943283 648974959 /nfs/dbraw/zinc/97/49/59/648974959.db2.gz KRWSYWCPKYYNFD-INIZCTEOSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603667 651956942 /nfs/dbraw/zinc/95/69/42/651956942.db2.gz OAVHIGOMMIBFRP-SFHVURJKSA-N 1 3 301.434 2.398 20 30 DEEDHO C#CCC[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603667 651956944 /nfs/dbraw/zinc/95/69/44/651956944.db2.gz OAVHIGOMMIBFRP-SFHVURJKSA-N 1 3 301.434 2.398 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)c1cccc(F)c1 ZINC000304749433 685259211 /nfs/dbraw/zinc/25/92/11/685259211.db2.gz HSHKESIADJCPEO-MRXNPFEDSA-N 1 3 320.456 2.492 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOC1CCCCCC1 ZINC000304751265 685259654 /nfs/dbraw/zinc/25/96/54/685259654.db2.gz JBVCVMSAVXHSGU-OAHLLOKOSA-N 1 3 310.486 2.114 20 30 DEEDHO C[C@@H](CNC(=[NH2+])NCCc1ccccc1)N1CCC[C@@H](C)C1 ZINC000303880298 685237310 /nfs/dbraw/zinc/23/73/10/685237310.db2.gz HCJZYORYYZUHIW-CVEARBPZSA-N 1 3 302.466 2.254 20 30 DEEDHO [NH2+]=C(NCCCN1CCc2ccccc2C1)NCC1CCC1 ZINC000303881653 685237344 /nfs/dbraw/zinc/23/73/44/685237344.db2.gz HTTKXGGPNHMNOY-UHFFFAOYSA-N 1 3 300.450 2.139 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1F ZINC000303978275 685240857 /nfs/dbraw/zinc/24/08/57/685240857.db2.gz MEICYODGGCFYSA-IVMMDQJWSA-N 1 3 304.413 2.070 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001015978274 687489142 /nfs/dbraw/zinc/48/91/42/687489142.db2.gz YNVNLJIMDJYUJC-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001015978274 687489144 /nfs/dbraw/zinc/48/91/44/687489144.db2.gz YNVNLJIMDJYUJC-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033354054 689474445 /nfs/dbraw/zinc/47/44/45/689474445.db2.gz MJWMYKBQAIIFTP-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001033354054 689474446 /nfs/dbraw/zinc/47/44/46/689474446.db2.gz MJWMYKBQAIIFTP-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001033587007 689553106 /nfs/dbraw/zinc/55/31/06/689553106.db2.gz COBRBWDNRJZFDA-CQSZACIVSA-N 1 3 304.438 2.186 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001033587007 689553108 /nfs/dbraw/zinc/55/31/08/689553108.db2.gz COBRBWDNRJZFDA-CQSZACIVSA-N 1 3 304.438 2.186 20 30 DEEDHO C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033685505 689583536 /nfs/dbraw/zinc/58/35/36/689583536.db2.gz UQNDVZPQLFAPEP-SFHVURJKSA-N 1 3 315.461 2.471 20 30 DEEDHO C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001034439264 689851351 /nfs/dbraw/zinc/85/13/51/689851351.db2.gz SSRAQDNSZFCMRK-QZTJIDSGSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001034439264 689851355 /nfs/dbraw/zinc/85/13/55/689851355.db2.gz SSRAQDNSZFCMRK-QZTJIDSGSA-N 1 3 319.493 2.245 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000876736226 689921523 /nfs/dbraw/zinc/92/15/23/689921523.db2.gz JXHUSDRIBNAKRW-OAHLLOKOSA-N 1 3 309.841 2.224 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000876736226 689921526 /nfs/dbraw/zinc/92/15/26/689921526.db2.gz JXHUSDRIBNAKRW-OAHLLOKOSA-N 1 3 309.841 2.224 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000876778979 689935223 /nfs/dbraw/zinc/93/52/23/689935223.db2.gz UBDMHHHTKFYENS-GDBMZVCRSA-N 1 3 323.868 2.483 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000876778979 689935227 /nfs/dbraw/zinc/93/52/27/689935227.db2.gz UBDMHHHTKFYENS-GDBMZVCRSA-N 1 3 323.868 2.483 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000876778980 689935246 /nfs/dbraw/zinc/93/52/46/689935246.db2.gz UBDMHHHTKFYENS-GOEBONIOSA-N 1 3 323.868 2.483 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000876778980 689935250 /nfs/dbraw/zinc/93/52/50/689935250.db2.gz UBDMHHHTKFYENS-GOEBONIOSA-N 1 3 323.868 2.483 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000877120435 690023283 /nfs/dbraw/zinc/02/32/83/690023283.db2.gz ROIMEEWMYHTDAW-HOTGVXAUSA-N 1 3 321.852 2.095 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000877120435 690023285 /nfs/dbraw/zinc/02/32/85/690023285.db2.gz ROIMEEWMYHTDAW-HOTGVXAUSA-N 1 3 321.852 2.095 20 30 DEEDHO C=CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001036027447 690238907 /nfs/dbraw/zinc/23/89/07/690238907.db2.gz BGFSJSRNSGZHIV-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001040262761 691222033 /nfs/dbraw/zinc/22/20/33/691222033.db2.gz UYDJJMLCOKSPOR-SJLPKXTDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001040262761 691222035 /nfs/dbraw/zinc/22/20/35/691222035.db2.gz UYDJJMLCOKSPOR-SJLPKXTDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001040869608 691294360 /nfs/dbraw/zinc/29/43/60/691294360.db2.gz LUIBJWXQRUMYJZ-UHFFFAOYSA-N 1 3 316.449 2.233 20 30 DEEDHO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001045945001 692058718 /nfs/dbraw/zinc/05/87/18/692058718.db2.gz LTMPZCGGGNRMOA-PKOBYXMFSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001045945001 692058721 /nfs/dbraw/zinc/05/87/21/692058721.db2.gz LTMPZCGGGNRMOA-PKOBYXMFSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCN1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001050067637 693098584 /nfs/dbraw/zinc/09/85/84/693098584.db2.gz PBLVIGNRBSGVCL-RCCFBDPRSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCN1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050067637 693098588 /nfs/dbraw/zinc/09/85/88/693098588.db2.gz PBLVIGNRBSGVCL-RCCFBDPRSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053043269 693676208 /nfs/dbraw/zinc/67/62/08/693676208.db2.gz GLWNBTCNLCBNDA-CVEARBPZSA-N 1 3 316.449 2.089 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053043269 693676209 /nfs/dbraw/zinc/67/62/09/693676209.db2.gz GLWNBTCNLCBNDA-CVEARBPZSA-N 1 3 316.449 2.089 20 30 DEEDHO C=C(Cl)CNCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001381736209 1153199836 /nfs/dbraw/zinc/19/98/36/1153199836.db2.gz YFUCAYKGDQJEEK-CQSZACIVSA-N 1 3 313.873 2.099 20 30 DEEDHO C=C(Cl)CNCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001381736209 1153199838 /nfs/dbraw/zinc/19/98/38/1153199838.db2.gz YFUCAYKGDQJEEK-CQSZACIVSA-N 1 3 313.873 2.099 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001382020934 1153320990 /nfs/dbraw/zinc/32/09/90/1153320990.db2.gz XLTWITRZKNSXTE-KKUMJFAQSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001402170963 1162273398 /nfs/dbraw/zinc/27/33/98/1162273398.db2.gz IWMBHQGJOXQYJI-GDBMZVCRSA-N 1 3 315.889 2.153 20 30 DEEDHO N#CCCCC[C@@H](N)C(=O)N(CC[NH3+])Cc1cccc(Cl)c1 ZINC001332110431 1149820634 /nfs/dbraw/zinc/82/06/34/1149820634.db2.gz HKYZWXYPXGHCGO-OAHLLOKOSA-N 1 3 322.840 2.039 20 30 DEEDHO C=CC[N@H+]1CC[C@H](NC(=O)CN2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492245 783157330 /nfs/dbraw/zinc/15/73/30/783157330.db2.gz GCJBJVCLOGZUNB-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@@H+]1CC[C@H](NC(=O)CN2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492245 783157336 /nfs/dbraw/zinc/15/73/36/783157336.db2.gz GCJBJVCLOGZUNB-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493203 783159589 /nfs/dbraw/zinc/15/95/89/783159589.db2.gz UVRFGJOUWAPGNC-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493203 783159592 /nfs/dbraw/zinc/15/95/92/783159592.db2.gz UVRFGJOUWAPGNC-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)C[NH2+]CC1(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001167235899 776787832 /nfs/dbraw/zinc/78/78/32/776787832.db2.gz CIQILLOAXKLDAU-UHFFFAOYSA-N 1 3 307.482 2.171 20 30 DEEDHO C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294671 776954332 /nfs/dbraw/zinc/95/43/32/776954332.db2.gz XERMMINVXZZEBS-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCN1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001073461827 790671155 /nfs/dbraw/zinc/67/11/55/790671155.db2.gz IBZXWVMQHHDTTG-KRWDZBQOSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCN2CCC)C1 ZINC001088323395 779952077 /nfs/dbraw/zinc/95/20/77/779952077.db2.gz NDIWDDHPTYCXGA-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001088429959 780114099 /nfs/dbraw/zinc/11/40/99/780114099.db2.gz DZGSEVHANPTTMP-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001168335250 780852021 /nfs/dbraw/zinc/85/20/21/780852021.db2.gz DMUXUTNFNYYAML-MRXNPFEDSA-N 1 3 307.482 2.313 20 30 DEEDHO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC000968855815 784620759 /nfs/dbraw/zinc/62/07/59/784620759.db2.gz AQIYTSONVZAWCD-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC000968855815 784620766 /nfs/dbraw/zinc/62/07/66/784620766.db2.gz AQIYTSONVZAWCD-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001108704264 785495571 /nfs/dbraw/zinc/49/55/71/785495571.db2.gz GKMOEAGAGGOWPM-JZXOWHBKSA-N 1 3 319.493 2.406 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C ZINC001132889240 788220019 /nfs/dbraw/zinc/22/00/19/788220019.db2.gz YPAUFWRQDFNDRQ-HOTGVXAUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CN1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001071600046 789803499 /nfs/dbraw/zinc/80/34/99/789803499.db2.gz FERLHGRTXHXIID-SJORKVTESA-N 1 3 319.493 2.408 20 30 DEEDHO C#CCCN1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001071957594 789987044 /nfs/dbraw/zinc/98/70/44/789987044.db2.gz KVFUHWHPLNNBJO-WMZOPIPTSA-N 1 3 319.493 2.099 20 30 DEEDHO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146625548 791325582 /nfs/dbraw/zinc/32/55/82/791325582.db2.gz YUOWATLDQQVWKM-HUUCEWRRSA-N 1 3 303.450 2.421 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147725725 791606936 /nfs/dbraw/zinc/60/69/36/791606936.db2.gz YZFQKLOYLHTSPT-NVXWUHKLSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147725725 791606937 /nfs/dbraw/zinc/60/69/37/791606937.db2.gz YZFQKLOYLHTSPT-NVXWUHKLSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCCC[N@H+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@H]3C)C2)C1 ZINC001148819830 791808107 /nfs/dbraw/zinc/80/81/07/791808107.db2.gz QMCGSWCKAASQBB-IAGOWNOFSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCCC[N@@H+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@H]3C)C2)C1 ZINC001148819830 791808111 /nfs/dbraw/zinc/80/81/11/791808111.db2.gz QMCGSWCKAASQBB-IAGOWNOFSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001086907878 791846234 /nfs/dbraw/zinc/84/62/34/791846234.db2.gz GERCJXKYCZXAJH-SJORKVTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001086942421 791857859 /nfs/dbraw/zinc/85/78/59/791857859.db2.gz QOBMXEGCTFJFSP-SJORKVTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001086946278 791858759 /nfs/dbraw/zinc/85/87/59/791858759.db2.gz VDGCYDYWOJAKMJ-OAHLLOKOSA-N 1 3 316.449 2.231 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001101267335 793089810 /nfs/dbraw/zinc/08/98/10/793089810.db2.gz ALWQHKKWLDROBE-AOIWGVFYSA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001101267335 793089819 /nfs/dbraw/zinc/08/98/19/793089819.db2.gz ALWQHKKWLDROBE-AOIWGVFYSA-N 1 3 319.493 2.073 20 30 DEEDHO C#CC[NH2+]CC(C)(C)C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001101551482 793226623 /nfs/dbraw/zinc/22/66/23/793226623.db2.gz NJBXPFYMMUTODD-UHFFFAOYSA-N 1 3 321.509 2.204 20 30 DEEDHO C=CC[NH2+]CC(C)(C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001101574897 793240469 /nfs/dbraw/zinc/24/04/69/793240469.db2.gz IXYDKIMAHZIFQF-MRXNPFEDSA-N 1 3 321.509 2.369 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)CC1)C2 ZINC001095026044 793591651 /nfs/dbraw/zinc/59/16/51/793591651.db2.gz XADGZQXOLPINQJ-BZSNNMDCSA-N 1 3 319.493 2.264 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)CCCC[NH2+]CC2CC2)CC1 ZINC001176737154 794484296 /nfs/dbraw/zinc/48/42/96/794484296.db2.gz JBBLTOJNKSSXMX-MRXNPFEDSA-N 1 3 319.493 2.006 20 30 DEEDHO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001176760106 794498954 /nfs/dbraw/zinc/49/89/54/794498954.db2.gz QAXPKXOPVGGYEG-IAGOWNOFSA-N 1 3 307.482 2.149 20 30 DEEDHO C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CN(C)CCC ZINC001177467235 794673307 /nfs/dbraw/zinc/67/33/07/794673307.db2.gz XKJAYDCYMRCITG-UHFFFAOYSA-N 1 3 321.509 2.350 20 30 DEEDHO C=C(Cl)CNC1(CNC(=O)CC[N@@H+](C)CC)CCCCC1 ZINC001115805825 794926515 /nfs/dbraw/zinc/92/65/15/794926515.db2.gz HUDCHBHLGOWSRU-UHFFFAOYSA-N 1 3 315.889 2.489 20 30 DEEDHO C=C(Cl)CNC1(CNC(=O)CC[N@H+](C)CC)CCCCC1 ZINC001115805825 794926521 /nfs/dbraw/zinc/92/65/21/794926521.db2.gz HUDCHBHLGOWSRU-UHFFFAOYSA-N 1 3 315.889 2.489 20 30 DEEDHO C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001178698508 794980636 /nfs/dbraw/zinc/98/06/36/794980636.db2.gz JPSATXHTTMLMSM-OAHLLOKOSA-N 1 3 315.889 2.345 20 30 DEEDHO C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001120470995 795467645 /nfs/dbraw/zinc/46/76/45/795467645.db2.gz VEPGDOZPGAOTPK-MSOLQXFVSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001120470995 795467647 /nfs/dbraw/zinc/46/76/47/795467647.db2.gz VEPGDOZPGAOTPK-MSOLQXFVSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C ZINC001185168803 796201030 /nfs/dbraw/zinc/20/10/30/796201030.db2.gz JEVXOCVXOJQMAS-DLBZAZTESA-N 1 3 321.509 2.369 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203640461 796414867 /nfs/dbraw/zinc/41/48/67/796414867.db2.gz CDLQZJUTTHUEKI-KGLIPLIRSA-N 1 3 313.873 2.098 20 30 DEEDHO C#CCC[NH2+]C1CCN(C(=O)CN(C)CCCCCC)CC1 ZINC001202973635 796431110 /nfs/dbraw/zinc/43/11/10/796431110.db2.gz LOLHAKAPWONHEH-UHFFFAOYSA-N 1 3 307.482 2.102 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001187857458 796590500 /nfs/dbraw/zinc/59/05/00/796590500.db2.gz MWCWCECSOOFPKF-RCCFBDPRSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001187857458 796590501 /nfs/dbraw/zinc/59/05/01/796590501.db2.gz MWCWCECSOOFPKF-RCCFBDPRSA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)CC[N@H+]1CC=C(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001161219521 796693664 /nfs/dbraw/zinc/69/36/64/796693664.db2.gz JBCUGBBDDVULFO-QGZVFWFLSA-N 1 3 319.493 2.433 20 30 DEEDHO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001161219521 796693668 /nfs/dbraw/zinc/69/36/68/796693668.db2.gz JBCUGBBDDVULFO-QGZVFWFLSA-N 1 3 319.493 2.433 20 30 DEEDHO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194227972 797696107 /nfs/dbraw/zinc/69/61/07/797696107.db2.gz OURDTLIYAGPEDX-GOSISDBHSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194227972 797696112 /nfs/dbraw/zinc/69/61/12/797696112.db2.gz OURDTLIYAGPEDX-GOSISDBHSA-N 1 3 315.461 2.471 20 30 DEEDHO C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001194266363 797702870 /nfs/dbraw/zinc/70/28/70/797702870.db2.gz QBTVRENUFYPQFR-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001194266363 797702872 /nfs/dbraw/zinc/70/28/72/797702872.db2.gz QBTVRENUFYPQFR-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CCCC=C)CC1 ZINC001157091844 798142252 /nfs/dbraw/zinc/14/22/52/798142252.db2.gz FJAWAFVODCPCOJ-QGZVFWFLSA-N 1 3 319.493 2.124 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CCCC=C)CC1 ZINC001157091844 798142256 /nfs/dbraw/zinc/14/22/56/798142256.db2.gz FJAWAFVODCPCOJ-QGZVFWFLSA-N 1 3 319.493 2.124 20 30 DEEDHO C=CCCC[N@H+]1CCCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001198221682 798295717 /nfs/dbraw/zinc/29/57/17/798295717.db2.gz MWWZKCCEMMFPMU-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@@H+]1CCCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001198221682 798295721 /nfs/dbraw/zinc/29/57/21/798295721.db2.gz MWWZKCCEMMFPMU-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N(CC#N)Cc1ccccc1 ZINC001160669448 798719160 /nfs/dbraw/zinc/71/91/60/798719160.db2.gz FEAIXRFXYHKVIF-KRWDZBQOSA-N 1 3 316.449 2.034 20 30 DEEDHO CC#CCN1CC=C(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924470 798968572 /nfs/dbraw/zinc/96/85/72/798968572.db2.gz DNEGJFWWAWABLN-CALCHBBNSA-N 1 3 317.477 2.021 20 30 DEEDHO CC#CCN1CC=C(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924470 798968578 /nfs/dbraw/zinc/96/85/78/798968578.db2.gz DNEGJFWWAWABLN-CALCHBBNSA-N 1 3 317.477 2.021 20 30 DEEDHO CCN(CC)CCNC(=[NH2+])Nc1cc(C#N)c2ccccc2n1 ZINC001163128665 799252944 /nfs/dbraw/zinc/25/29/44/799252944.db2.gz PJSCAKIDOVGYMG-UHFFFAOYSA-N 1 3 310.405 2.385 20 30 DEEDHO C=C(C)CC[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166687507 799922342 /nfs/dbraw/zinc/92/23/42/799922342.db2.gz UIAXKKQWJSSTKX-QGZVFWFLSA-N 1 3 313.461 2.261 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203640460 800097196 /nfs/dbraw/zinc/09/71/96/800097196.db2.gz CDLQZJUTTHUEKI-KBPBESRZSA-N 1 3 313.873 2.098 20 30 DEEDHO C#C[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)C1CCOCC1 ZINC001206728674 800580563 /nfs/dbraw/zinc/58/05/63/800580563.db2.gz UHXQRDNBJLHTSX-JLAWEPINSA-N 1 3 320.477 2.038 20 30 DEEDHO Cc1cc(N)[nH+]cc1Nc1ccc(N2CCN(C)CC2)c(C#N)c1 ZINC001209967824 801313847 /nfs/dbraw/zinc/31/38/47/801313847.db2.gz SLORDSJLXVPQTG-UHFFFAOYSA-N 1 3 322.416 2.339 20 30 DEEDHO CC#CC[NH2+][C@@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC001210181974 801347132 /nfs/dbraw/zinc/34/71/32/801347132.db2.gz HDUKCQGYZFPYLA-QGZVFWFLSA-N 1 3 307.482 2.102 20 30 DEEDHO CCN1C[C@H]2C[NH+](Cc3ccc(N(C)CCC#N)cc3)C[C@@H]2C1 ZINC001231821965 801734475 /nfs/dbraw/zinc/73/44/75/801734475.db2.gz PUUVGMDVGGWXRW-ROUUACIJSA-N 1 3 312.461 2.420 20 30 DEEDHO C=CC[C@@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)c1ccccc1 ZINC001221360131 802559771 /nfs/dbraw/zinc/55/97/71/802559771.db2.gz DXUZWBFJTFGUEO-SJORKVTESA-N 1 3 313.445 2.294 20 30 DEEDHO C=CC[C@@H](NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)c1ccccc1 ZINC001221360131 802559775 /nfs/dbraw/zinc/55/97/75/802559775.db2.gz DXUZWBFJTFGUEO-SJORKVTESA-N 1 3 313.445 2.294 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3CCC)[C@@H]2C1 ZINC001221594796 802595012 /nfs/dbraw/zinc/59/50/12/802595012.db2.gz CJHNGRDRBWZQOL-KZNAEPCWSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3CCC)[C@@H]2C1 ZINC001221594796 802595015 /nfs/dbraw/zinc/59/50/15/802595015.db2.gz CJHNGRDRBWZQOL-KZNAEPCWSA-N 1 3 319.493 2.360 20 30 DEEDHO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCCN1C(C)C ZINC001228932255 803432266 /nfs/dbraw/zinc/43/22/66/803432266.db2.gz LCKOAAODQQMQTE-KURKYZTESA-N 1 3 319.493 2.290 20 30 DEEDHO C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001501670097 1059624591 /nfs/dbraw/zinc/62/45/91/1059624591.db2.gz HIUVTKXUICPXFP-GOSISDBHSA-N 1 3 315.461 2.262 20 30 DEEDHO C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001501670097 1059624600 /nfs/dbraw/zinc/62/46/00/1059624600.db2.gz 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307.482 2.167 20 30 DEEDHO C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001567163816 1075449463 /nfs/dbraw/zinc/44/94/63/1075449463.db2.gz HWXJKHKEPZKZEM-IAGOWNOFSA-N 1 3 319.493 2.291 20 30 DEEDHO C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001267974432 1079656986 /nfs/dbraw/zinc/65/69/86/1079656986.db2.gz YEKLEVWDWZVYMF-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001267974432 1079656987 /nfs/dbraw/zinc/65/69/87/1079656987.db2.gz YEKLEVWDWZVYMF-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO C#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001484772233 1079787015 /nfs/dbraw/zinc/78/70/15/1079787015.db2.gz ORIKTOSKFUTHHR-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001484772233 1079787019 /nfs/dbraw/zinc/78/70/19/1079787019.db2.gz ORIKTOSKFUTHHR-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000982011647 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C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001271007184 1081873086 /nfs/dbraw/zinc/87/30/86/1081873086.db2.gz KITAVQDALPGEED-SJLPKXTDSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001271007184 1081873090 /nfs/dbraw/zinc/87/30/90/1081873090.db2.gz KITAVQDALPGEED-SJLPKXTDSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(N(C)C)CCC1)C2 ZINC001279222996 1082238327 /nfs/dbraw/zinc/23/83/27/1082238327.db2.gz XFDIFMZGCUUUGB-BJWYYQGGSA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(N(C)C)CCC1)C2 ZINC001279222996 1082238331 /nfs/dbraw/zinc/23/83/31/1082238331.db2.gz XFDIFMZGCUUUGB-BJWYYQGGSA-N 1 3 319.493 2.406 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001266663231 1082257585 /nfs/dbraw/zinc/25/75/85/1082257585.db2.gz MACCQBQKZYIJJC-IAGOWNOFSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001266663231 1082257592 /nfs/dbraw/zinc/25/75/92/1082257592.db2.gz MACCQBQKZYIJJC-IAGOWNOFSA-N 1 3 307.482 2.216 20 30 DEEDHO C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001277702244 1084103018 /nfs/dbraw/zinc/10/30/18/1084103018.db2.gz JMTQYVPVSIJCAV-MSOLQXFVSA-N 1 3 319.493 2.099 20 30 DEEDHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001491225826 1084168793 /nfs/dbraw/zinc/16/87/93/1084168793.db2.gz JCSNWLUXXYHYGK-ZWKOTPCHSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000964014955 1085147077 /nfs/dbraw/zinc/14/70/77/1085147077.db2.gz HAPZHUYHHDNARY-DAWZGUTISA-N 1 3 319.493 2.242 20 30 DEEDHO C=CC[NH2+]C1CC2(CC(NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000965933069 1085700639 /nfs/dbraw/zinc/70/06/39/1085700639.db2.gz LMIAWDSWCQPADF-GFBLOWMDSA-N 1 3 305.466 2.062 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C1 ZINC001080021586 1088565085 /nfs/dbraw/zinc/56/50/85/1088565085.db2.gz GTTAJJFDRAGOON-BRWVUGGUSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C1 ZINC001080021586 1088565098 /nfs/dbraw/zinc/56/50/98/1088565098.db2.gz GTTAJJFDRAGOON-BRWVUGGUSA-N 1 3 307.482 2.119 20 30 DEEDHO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001080755982 1089173207 /nfs/dbraw/zinc/17/32/07/1089173207.db2.gz DTIKMMDSOIXTKD-KZNAEPCWSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001080755982 1089173215 /nfs/dbraw/zinc/17/32/15/1089173215.db2.gz DTIKMMDSOIXTKD-KZNAEPCWSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001084639465 1090355537 /nfs/dbraw/zinc/35/55/37/1090355537.db2.gz UKMHPTGZNBESBF-BRWVUGGUSA-N 1 3 307.482 2.072 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001084639465 1090355543 /nfs/dbraw/zinc/35/55/43/1090355543.db2.gz UKMHPTGZNBESBF-BRWVUGGUSA-N 1 3 307.482 2.072 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001671086022 1091763564 /nfs/dbraw/zinc/76/35/64/1091763564.db2.gz UUCVJZWBMIOJFW-PKOBYXMFSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001671086022 1091763575 /nfs/dbraw/zinc/76/35/75/1091763575.db2.gz UUCVJZWBMIOJFW-PKOBYXMFSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC000948766418 1091923879 /nfs/dbraw/zinc/92/38/79/1091923879.db2.gz JZEVTWCDTDXENV-IRXDYDNUSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC000948766418 1091923883 /nfs/dbraw/zinc/92/38/83/1091923883.db2.gz JZEVTWCDTDXENV-IRXDYDNUSA-N 1 3 307.482 2.217 20 30 DEEDHO C[NH+](C)CCN1CC2(C1)CCN(Cc1ccccc1C#N)CC2 ZINC001275968846 1092399882 /nfs/dbraw/zinc/39/98/82/1092399882.db2.gz PRKSXRZERKEMER-UHFFFAOYSA-N 1 3 312.461 2.018 20 30 DEEDHO C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001490765681 1093518791 /nfs/dbraw/zinc/51/87/91/1093518791.db2.gz GZDRLCGMUBPEBC-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001490765681 1093518797 /nfs/dbraw/zinc/51/87/97/1093518797.db2.gz GZDRLCGMUBPEBC-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO CCCCCCCCNC(=S)NCCC[NH2+]CCCN ZINC001239396617 1139034309 /nfs/dbraw/zinc/03/43/09/1139034309.db2.gz KQMTZNTXZUDVLL-UHFFFAOYSA-N 1 3 302.532 2.140 20 30 DEEDHO C=C(C)CC[N@H+](C)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001319888870 1140800290 /nfs/dbraw/zinc/80/02/90/1140800290.db2.gz QUUPQAPRYSDPPF-UHFFFAOYSA-N 1 3 318.465 2.479 20 30 DEEDHO C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001319888870 1140800291 /nfs/dbraw/zinc/80/02/91/1140800291.db2.gz QUUPQAPRYSDPPF-UHFFFAOYSA-N 1 3 318.465 2.479 20 30 DEEDHO CCCCCCCCCC[C@@H](O)CN1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246023370 1140848195 /nfs/dbraw/zinc/84/81/95/1140848195.db2.gz RKGBOWZFMYMUKH-GVDBMIGSSA-N 1 3 300.487 2.130 20 30 DEEDHO C=CCOC(=O)N1CCC2(CCC[N@@H+](C3CCNCC3)C2)CC1 ZINC001246527684 1140936448 /nfs/dbraw/zinc/93/64/48/1140936448.db2.gz VQDYXNNUVYKOIS-UHFFFAOYSA-N 1 3 321.465 2.239 20 30 DEEDHO C=CCOC(=O)N1CCC2(CCC[N@H+](C3CCNCC3)C2)CC1 ZINC001246527684 1140936469 /nfs/dbraw/zinc/93/64/69/1140936469.db2.gz VQDYXNNUVYKOIS-UHFFFAOYSA-N 1 3 321.465 2.239 20 30 DEEDHO C=CCOC(=O)N1CCC2(CCCN(C3CC[NH2+]CC3)C2)CC1 ZINC001246527684 1140936494 /nfs/dbraw/zinc/93/64/94/1140936494.db2.gz VQDYXNNUVYKOIS-UHFFFAOYSA-N 1 3 321.465 2.239 20 30 DEEDHO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@@H]1CCN[C@@H](C)C1)C2 ZINC001246719888 1141045211 /nfs/dbraw/zinc/04/52/11/1141045211.db2.gz HMXUCLXOFYRCTE-BSDSXHPESA-N 1 3 308.466 2.201 20 30 DEEDHO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@@H]1CCN[C@@H](C)C1)C2 ZINC001246719888 1141045220 /nfs/dbraw/zinc/04/52/20/1141045220.db2.gz HMXUCLXOFYRCTE-BSDSXHPESA-N 1 3 308.466 2.201 20 30 DEEDHO C=CCOC[C@]12CCCO[C@@H]1CCN([C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246719888 1141045229 /nfs/dbraw/zinc/04/52/29/1141045229.db2.gz HMXUCLXOFYRCTE-BSDSXHPESA-N 1 3 308.466 2.201 20 30 DEEDHO C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001278582915 1142241274 /nfs/dbraw/zinc/24/12/74/1142241274.db2.gz RVZJHNMDSVWCMY-FUHWJXTLSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001278662466 1142693830 /nfs/dbraw/zinc/69/38/30/1142693830.db2.gz CCDRLEFEUIRFNF-QGZVFWFLSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001278662466 1142693835 /nfs/dbraw/zinc/69/38/35/1142693835.db2.gz CCDRLEFEUIRFNF-QGZVFWFLSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001252571751 1142768194 /nfs/dbraw/zinc/76/81/94/1142768194.db2.gz JSKJYNARNBDTJQ-MANSERQUSA-N 1 3 300.446 2.424 20 30 DEEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001263170023 1144359652 /nfs/dbraw/zinc/35/96/52/1144359652.db2.gz FPMLOXZPCWWMLV-ZWKOTPCHSA-N 1 3 315.461 2.308 20 30 DEEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001263170023 1144359655 /nfs/dbraw/zinc/35/96/55/1144359655.db2.gz FPMLOXZPCWWMLV-ZWKOTPCHSA-N 1 3 315.461 2.308 20 30 DEEDHO C=CCCC[C@H](N)C(=O)N1CCCc2cc(CC[NH3+])ccc21 ZINC001263259136 1144363684 /nfs/dbraw/zinc/36/36/84/1144363684.db2.gz OGLSXILVRIRZTG-INIZCTEOSA-N 1 3 301.434 2.151 20 30 DEEDHO C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001280350543 1144836209 /nfs/dbraw/zinc/83/62/09/1144836209.db2.gz LLKWYDTXFGFSKM-YJBOKZPZSA-N 1 3 315.461 2.173 20 30 DEEDHO C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001280392061 1144837731 /nfs/dbraw/zinc/83/77/31/1144837731.db2.gz NYKOAKGNVVDFTA-OAHLLOKOSA-N 1 3 316.449 2.231 20 30 DEEDHO C=C(C)C[NH2+]C1(CC)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001281035863 1144869422 /nfs/dbraw/zinc/86/94/22/1144869422.db2.gz DXCVQHABESVQLY-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCC[NH2+]C1(C)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001281500456 1144893419 /nfs/dbraw/zinc/89/34/19/1144893419.db2.gz WFAZTAXTCZVOMG-UHFFFAOYSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001491834916 1146907986 /nfs/dbraw/zinc/90/79/86/1146907986.db2.gz PZHAHZYHLZMECE-INIZCTEOSA-N 1 3 309.498 2.369 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001491874230 1146943733 /nfs/dbraw/zinc/94/37/33/1146943733.db2.gz MKVKVWQICXDYJR-KGLIPLIRSA-N 1 3 313.873 2.240 20 30 DEEDHO CC#CCN(C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001491965899 1147024762 /nfs/dbraw/zinc/02/47/62/1147024762.db2.gz VLWWLYBUJUDZPS-SFHVURJKSA-N 1 3 319.493 2.199 20 30 DEEDHO CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCCN1CC ZINC001492176950 1147119083 /nfs/dbraw/zinc/11/90/83/1147119083.db2.gz BHCGSVSAHXZEDJ-ROUUACIJSA-N 1 3 319.493 2.245 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCCN1CC ZINC001492176950 1147119093 /nfs/dbraw/zinc/11/90/93/1147119093.db2.gz BHCGSVSAHXZEDJ-ROUUACIJSA-N 1 3 319.493 2.245 20 30 DEEDHO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001316812477 1147583604 /nfs/dbraw/zinc/58/36/04/1147583604.db2.gz WVRGRFPFWBGEBC-IAGOWNOFSA-N 1 3 321.509 2.203 20 30 DEEDHO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001316812477 1147583605 /nfs/dbraw/zinc/58/36/05/1147583605.db2.gz WVRGRFPFWBGEBC-IAGOWNOFSA-N 1 3 321.509 2.203 20 30 DEEDHO C=CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001316804683 1147603160 /nfs/dbraw/zinc/60/31/60/1147603160.db2.gz URGRMLOSLVJRGG-INIZCTEOSA-N 1 3 304.438 2.231 20 30 DEEDHO C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001316804683 1147603167 /nfs/dbraw/zinc/60/31/67/1147603167.db2.gz URGRMLOSLVJRGG-INIZCTEOSA-N 1 3 304.438 2.231 20 30 DEEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)CC(C)(C)C1 ZINC001316809404 1147603858 /nfs/dbraw/zinc/60/38/58/1147603858.db2.gz BRWPWCSDFMCHIA-MRXNPFEDSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)CC(C)(C)C1 ZINC001316809404 1147603862 /nfs/dbraw/zinc/60/38/62/1147603862.db2.gz BRWPWCSDFMCHIA-MRXNPFEDSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001317139872 1147665723 /nfs/dbraw/zinc/66/57/23/1147665723.db2.gz LQPKWOVYJDZOSW-IRXDYDNUSA-N 1 3 307.482 2.123 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001317139872 1147665724 /nfs/dbraw/zinc/66/57/24/1147665724.db2.gz LQPKWOVYJDZOSW-IRXDYDNUSA-N 1 3 307.482 2.123 20 30 DEEDHO C#CCN1CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317204301 1147676310 /nfs/dbraw/zinc/67/63/10/1147676310.db2.gz MGFLFQWUKNYBHP-QZTJIDSGSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001317862093 1147758810 /nfs/dbraw/zinc/75/88/10/1147758810.db2.gz GMCLROWOVRZVQC-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001317862093 1147758811 /nfs/dbraw/zinc/75/88/11/1147758811.db2.gz GMCLROWOVRZVQC-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C[N@H+](CCOCCC#N)CC1CCN(c2ccncc2)CC1 ZINC000339060033 529922345 /nfs/dbraw/zinc/92/23/45/529922345.db2.gz MPIJXYUEHFYAJA-UHFFFAOYSA-N 1 3 302.422 2.160 20 30 DEEDHO C[N@@H+](CCOCCC#N)CC1CCN(c2ccncc2)CC1 ZINC000339060033 529922346 /nfs/dbraw/zinc/92/23/46/529922346.db2.gz MPIJXYUEHFYAJA-UHFFFAOYSA-N 1 3 302.422 2.160 20 30 DEEDHO C=CCC1([NH2+]CC(=O)NC2CCN(CC)CC2)CCCCC1 ZINC000625937547 365963350 /nfs/dbraw/zinc/96/33/50/365963350.db2.gz FECKHCFRNACQCK-UHFFFAOYSA-N 1 3 307.482 2.456 20 30 DEEDHO C=CCN1CCC(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000592526842 357895450 /nfs/dbraw/zinc/89/54/50/357895450.db2.gz ORDGERYFWNRIJP-UHFFFAOYSA-N 1 3 322.497 2.153 20 30 DEEDHO C=CCN1CCC(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000592526842 357895451 /nfs/dbraw/zinc/89/54/51/357895451.db2.gz ORDGERYFWNRIJP-UHFFFAOYSA-N 1 3 322.497 2.153 20 30 DEEDHO N#Cc1cccc(CN2CCC([NH2+][C@H]3CCC[C@H]3CN)CC2)c1 ZINC000593323917 358054419 /nfs/dbraw/zinc/05/44/19/358054419.db2.gz SXWYPIWOTZLYPH-HKUYNNGSSA-N 1 3 312.461 2.240 20 30 DEEDHO N#Cc1cccc(CN2CCC([NH2+][C@H]3CCC[C@@H]3CN)CC2)c1 ZINC000593323919 358054686 /nfs/dbraw/zinc/05/46/86/358054686.db2.gz SXWYPIWOTZLYPH-MJGOQNOKSA-N 1 3 312.461 2.240 20 30 DEEDHO CC(C)[C@H](CNC(=O)[C@H](N)CCCCC#N)[NH+]1CCC(C)CC1 ZINC000594442036 358272765 /nfs/dbraw/zinc/27/27/65/358272765.db2.gz ZTHWIMQJUORUPT-SJORKVTESA-N 1 3 322.497 2.270 20 30 DEEDHO C=CCN1CCC(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000237562487 202285515 /nfs/dbraw/zinc/28/55/15/202285515.db2.gz JCVBSEBHOAEOMS-YOEHRIQHSA-N 1 3 301.434 2.089 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000669385677 540823398 /nfs/dbraw/zinc/82/33/98/540823398.db2.gz VUWIHQDUHBCCRS-IAGOWNOFSA-N 1 3 322.497 2.126 20 30 DEEDHO COC[C@H](C)NC(=[NH2+])NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000304811487 285340017 /nfs/dbraw/zinc/34/00/17/285340017.db2.gz XGBUKWKKURDHEK-GZBFAFLISA-N 1 3 324.494 2.070 20 30 DEEDHO CC1CCN(C(=[NH2+])NCc2ccc(OCCN(C)C)cc2)CC1 ZINC000122481034 402080439 /nfs/dbraw/zinc/08/04/39/402080439.db2.gz YYADNAVYBOOWKG-UHFFFAOYSA-N 1 3 318.465 2.174 20 30 DEEDHO C=CCNC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000184755323 402297609 /nfs/dbraw/zinc/29/76/09/402297609.db2.gz XQXNESIQWYRJQK-MCPYQZEQSA-N 1 3 315.461 2.035 20 30 DEEDHO C=CC[C@@H](CO)[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000186687650 402455449 /nfs/dbraw/zinc/45/54/49/402455449.db2.gz BEHRQUXHXZLWQE-VJANTYMQSA-N 1 3 300.446 2.424 20 30 DEEDHO C=CCN1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000171716929 402613556 /nfs/dbraw/zinc/61/35/56/402613556.db2.gz PRKVZWIBRMMIHZ-UHFFFAOYSA-N 1 3 301.434 2.128 20 30 DEEDHO C=CCN1CCC(NC(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000171739094 402616886 /nfs/dbraw/zinc/61/68/86/402616886.db2.gz WUGQIXUCBKJSHR-UHFFFAOYSA-N 1 3 322.497 2.010 20 30 DEEDHO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(OCC#N)cc1 ZINC000181560781 402649841 /nfs/dbraw/zinc/64/98/41/402649841.db2.gz HSIKOPLLPDBCGE-OAHLLOKOSA-N 1 3 317.433 2.086 20 30 DEEDHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281063861 403057682 /nfs/dbraw/zinc/05/76/82/403057682.db2.gz ZEVCSULIRSWDDT-MSOLQXFVSA-N 1 3 324.428 2.041 20 30 DEEDHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281063861 403057684 /nfs/dbraw/zinc/05/76/84/403057684.db2.gz ZEVCSULIRSWDDT-MSOLQXFVSA-N 1 3 324.428 2.041 20 30 DEEDHO C=CCOc1cccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000282502335 403155341 /nfs/dbraw/zinc/15/53/41/403155341.db2.gz WVCDARYCCFDKGZ-UHFFFAOYSA-N 1 3 317.477 2.367 20 30 DEEDHO C=CCC[C@H](O)C[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000305078365 403823175 /nfs/dbraw/zinc/82/31/75/403823175.db2.gz LRPZBYHYRRFFKB-BQFCYCMXSA-N 1 3 310.482 2.135 20 30 DEEDHO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000343924292 403794274 /nfs/dbraw/zinc/79/42/74/403794274.db2.gz MVONHOPJXYOJNG-LPHOPBHVSA-N 1 3 312.461 2.016 20 30 DEEDHO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000343924292 403794277 /nfs/dbraw/zinc/79/42/77/403794277.db2.gz MVONHOPJXYOJNG-LPHOPBHVSA-N 1 3 312.461 2.016 20 30 DEEDHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424150207 405024395 /nfs/dbraw/zinc/02/43/95/405024395.db2.gz YKJUALFHNREFGE-CABCVRRESA-N 1 3 308.470 2.024 20 30 DEEDHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424150207 405024398 /nfs/dbraw/zinc/02/43/98/405024398.db2.gz YKJUALFHNREFGE-CABCVRRESA-N 1 3 308.470 2.024 20 30 DEEDHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](N)CCCC#N)C1 ZINC000424150212 405024470 /nfs/dbraw/zinc/02/44/70/405024470.db2.gz YKJUALFHNREFGE-LSDHHAIUSA-N 1 3 308.470 2.024 20 30 DEEDHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](N)CCCC#N)C1 ZINC000424150212 405024476 /nfs/dbraw/zinc/02/44/76/405024476.db2.gz YKJUALFHNREFGE-LSDHHAIUSA-N 1 3 308.470 2.024 20 30 DEEDHO CN1CCN(CC2CC[NH+](CC(C)(C)CCC#N)CC2)CC1 ZINC000367671144 405120568 /nfs/dbraw/zinc/12/05/68/405120568.db2.gz OGRGWMRRRUVZNO-UHFFFAOYSA-N 1 3 306.498 2.276 20 30 DEEDHO N#Cc1ccc(CN2CCC(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000423212575 405724305 /nfs/dbraw/zinc/72/43/05/405724305.db2.gz JXBCZLLNTFMPGG-YOFSQIOKSA-N 1 3 324.472 2.395 20 30 DEEDHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000527163118 406590527 /nfs/dbraw/zinc/59/05/27/406590527.db2.gz RNLMMDHRFGUQER-ROUUACIJSA-N 1 3 324.428 2.087 20 30 DEEDHO CC(C)[N@H+]1CC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000527163118 406590532 /nfs/dbraw/zinc/59/05/32/406590532.db2.gz RNLMMDHRFGUQER-ROUUACIJSA-N 1 3 324.428 2.087 20 30 DEEDHO C=CC[C@H]1CCCC[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000665392977 425562098 /nfs/dbraw/zinc/56/20/98/425562098.db2.gz KOMUOEBNVQSAQC-DLBZAZTESA-N 1 3 324.513 2.256 20 30 DEEDHO C=CC[C@@]1(C(=O)NC[C@@H]2CCCCN2CCCC)CCC[NH2+]1 ZINC000662702097 425717790 /nfs/dbraw/zinc/71/77/90/425717790.db2.gz WLKHZHDBEMBGTQ-WMZOPIPTSA-N 1 3 307.482 2.456 20 30 DEEDHO N#C[C@@H]1CC[C@H](NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000583360687 332352807 /nfs/dbraw/zinc/35/28/07/332352807.db2.gz DKMMMIKSVONKTM-AYOQOUSVSA-N 1 3 313.445 2.425 20 30 DEEDHO N#C[C@@H]1CC[C@H](NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000583360687 332352809 /nfs/dbraw/zinc/35/28/09/332352809.db2.gz DKMMMIKSVONKTM-AYOQOUSVSA-N 1 3 313.445 2.425 20 30 DEEDHO C=CCCC[C@@H]([NH3+])C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC001357428316 1152297476 /nfs/dbraw/zinc/29/74/76/1152297476.db2.gz LSBAZCHHCDFJIR-LSDHHAIUSA-N 1 3 317.433 2.026 20 30 DEEDHO CCCN1CCC[C@H]1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000262680334 528231920 /nfs/dbraw/zinc/23/19/20/528231920.db2.gz VTMFNRZEKPONPW-HOCLYGCPSA-N 1 3 316.449 2.289 20 30 DEEDHO C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001327528611 1148580528 /nfs/dbraw/zinc/58/05/28/1148580528.db2.gz BOVKDVINOIJAPU-IEBWSBKVSA-N 1 3 319.493 2.055 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001022710568 624860252 /nfs/dbraw/zinc/86/02/52/624860252.db2.gz KCCDWSHQSHKNGI-JKIFEVAISA-N 1 3 311.445 2.012 20 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/nfs/dbraw/zinc/89/97/39/633899739.db2.gz GHLOSZJHPIVIET-DOTOQJQBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[N@@H+]1CCCN(C(=O)C(C)(C)N2CCCC2)CC1 ZINC000981741139 635622115 /nfs/dbraw/zinc/62/21/15/635622115.db2.gz RVSDWLXOFGWZAR-UHFFFAOYSA-N 1 3 307.482 2.361 20 30 DEEDHO C=C(C)CC[N@H+]1CCCN(C(=O)C(C)(C)N2CCCC2)CC1 ZINC000981741139 635622117 /nfs/dbraw/zinc/62/21/17/635622117.db2.gz RVSDWLXOFGWZAR-UHFFFAOYSA-N 1 3 307.482 2.361 20 30 DEEDHO C=CCCN1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000982152027 635891062 /nfs/dbraw/zinc/89/10/62/635891062.db2.gz PZOTVUGZFZOTIR-IRXDYDNUSA-N 1 3 305.466 2.114 20 30 DEEDHO C=CCCN1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000982152027 635891063 /nfs/dbraw/zinc/89/10/63/635891063.db2.gz PZOTVUGZFZOTIR-IRXDYDNUSA-N 1 3 305.466 2.114 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004546098 636483580 /nfs/dbraw/zinc/48/35/80/636483580.db2.gz GONWTPYIQBQSEH-AEFFLSMTSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004546098 636483584 /nfs/dbraw/zinc/48/35/84/636483584.db2.gz GONWTPYIQBQSEH-AEFFLSMTSA-N 1 3 319.493 2.360 20 30 DEEDHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1csc(C#N)c1 ZINC000894454453 637044480 /nfs/dbraw/zinc/04/44/80/637044480.db2.gz UUJKXHDEFQJAJF-UHFFFAOYSA-N 1 3 306.479 2.078 20 30 DEEDHO C=CCC[NH+]1CCC(N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC001006000206 637060319 /nfs/dbraw/zinc/06/03/19/637060319.db2.gz FGTBYQDBYFMSFB-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO C#CCN1CCC(C(=O)Nc2ccc(C[NH+](C)C)cc2C)CC1 ZINC000909613088 639497348 /nfs/dbraw/zinc/49/73/48/639497348.db2.gz IHUSSEWTPSDRER-UHFFFAOYSA-N 1 3 313.445 2.340 20 30 DEEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)C1(N(C)C)CCC1)C(C)C ZINC000763044704 640495105 /nfs/dbraw/zinc/49/51/05/640495105.db2.gz QFWIBRZGRGZJJG-MRXNPFEDSA-N 1 3 307.482 2.286 20 30 DEEDHO C=C(C)CC[N@H+]1CCCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC000989728098 641211760 /nfs/dbraw/zinc/21/17/60/641211760.db2.gz AXBUEENHJYGJQW-CALCHBBNSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1CCCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC000989728098 641211763 /nfs/dbraw/zinc/21/17/63/641211763.db2.gz AXBUEENHJYGJQW-CALCHBBNSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000900014016 642237232 /nfs/dbraw/zinc/23/72/32/642237232.db2.gz VCRSPNMVADGHKC-GOSISDBHSA-N 1 3 317.477 2.476 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000900179065 642282309 /nfs/dbraw/zinc/28/23/09/642282309.db2.gz FLKYERMDVNGCKK-GOSISDBHSA-N 1 3 315.461 2.275 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000908206256 644783314 /nfs/dbraw/zinc/78/33/14/644783314.db2.gz GJNKDYLSNOMPMU-MRXNPFEDSA-N 1 3 307.413 2.053 20 30 DEEDHO C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000991992955 646823161 /nfs/dbraw/zinc/82/31/61/646823161.db2.gz HCIUNWVMHPVABZ-JENIJYKNSA-N 1 3 317.477 2.160 20 30 DEEDHO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000991992955 646823164 /nfs/dbraw/zinc/82/31/64/646823164.db2.gz HCIUNWVMHPVABZ-JENIJYKNSA-N 1 3 317.477 2.160 20 30 DEEDHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000818968507 647553022 /nfs/dbraw/zinc/55/30/22/647553022.db2.gz CKFNFHSVSZHTNS-QGZVFWFLSA-N 1 3 301.434 2.444 20 30 DEEDHO C=C(C)CN1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993480600 647683843 /nfs/dbraw/zinc/68/38/43/647683843.db2.gz QGLRGGBQAJTCQH-IAGOWNOFSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001054154774 693865204 /nfs/dbraw/zinc/86/52/04/693865204.db2.gz VQZILXFAGXLUSN-AEFFLSMTSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001054154774 693865206 /nfs/dbraw/zinc/86/52/06/693865206.db2.gz VQZILXFAGXLUSN-AEFFLSMTSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001054192385 693875751 /nfs/dbraw/zinc/87/57/51/693875751.db2.gz WNMIUPIWHXHLOX-IEBWSBKVSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001054192385 693875753 /nfs/dbraw/zinc/87/57/53/693875753.db2.gz WNMIUPIWHXHLOX-IEBWSBKVSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054197881 693880006 /nfs/dbraw/zinc/88/00/06/693880006.db2.gz KVMVPRJCVKDBAY-HKUYNNGSSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054197881 693880008 /nfs/dbraw/zinc/88/00/08/693880008.db2.gz KVMVPRJCVKDBAY-HKUYNNGSSA-N 1 3 319.493 2.219 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccccc2)CCC1 ZINC000303789085 685235658 /nfs/dbraw/zinc/23/56/58/685235658.db2.gz VAWGODCHQSVNHB-QGZVFWFLSA-N 1 3 314.477 2.497 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000998 688548968 /nfs/dbraw/zinc/54/89/68/688548968.db2.gz NMTHPZJBWGMZBJ-QGZVFWFLSA-N 1 3 315.461 2.376 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000998 688548973 /nfs/dbraw/zinc/54/89/73/688548973.db2.gz NMTHPZJBWGMZBJ-QGZVFWFLSA-N 1 3 315.461 2.376 20 30 DEEDHO C=CCN1CCN(CN(CC(C)C)CC2CC[NH+](C)CC2)C1=O ZINC000872744206 689081827 /nfs/dbraw/zinc/08/18/27/689081827.db2.gz RFUJGRGWAQSEKK-UHFFFAOYSA-N 1 3 322.497 2.167 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033687142 689584115 /nfs/dbraw/zinc/58/41/15/689584115.db2.gz YSLKHONKAJZCFW-KRWDZBQOSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033687142 689584116 /nfs/dbraw/zinc/58/41/16/689584116.db2.gz YSLKHONKAJZCFW-KRWDZBQOSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033687143 689584836 /nfs/dbraw/zinc/58/48/36/689584836.db2.gz YSLKHONKAJZCFW-QGZVFWFLSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033687143 689584838 /nfs/dbraw/zinc/58/48/38/689584838.db2.gz YSLKHONKAJZCFW-QGZVFWFLSA-N 1 3 315.461 2.471 20 30 DEEDHO C#CCC[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001034213416 689765628 /nfs/dbraw/zinc/76/56/28/689765628.db2.gz XVPUEPASLBWHFT-QGZVFWFLSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001034213416 689765631 /nfs/dbraw/zinc/76/56/31/689765631.db2.gz XVPUEPASLBWHFT-QGZVFWFLSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2CCCC[N@@H+](CCCC)C2)CC1 ZINC001034538864 689890854 /nfs/dbraw/zinc/89/08/54/689890854.db2.gz SYCKJLFWRYTFJI-SFHVURJKSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2CCCC[N@H+](CCCC)C2)CC1 ZINC001034538864 689890859 /nfs/dbraw/zinc/89/08/59/689890859.db2.gz SYCKJLFWRYTFJI-SFHVURJKSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000876711751 689912634 /nfs/dbraw/zinc/91/26/34/689912634.db2.gz DUSAUFQFEKWMCR-MRXNPFEDSA-N 1 3 321.852 2.369 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 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ZINC001041357414 691366664 /nfs/dbraw/zinc/36/66/64/691366664.db2.gz HFDWKKIHFVWQBV-IEBWSBKVSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041757449 691424867 /nfs/dbraw/zinc/42/48/67/691424867.db2.gz WBPDCIWMBAVYGC-IBGZPJMESA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041757449 691424870 /nfs/dbraw/zinc/42/48/70/691424870.db2.gz WBPDCIWMBAVYGC-IBGZPJMESA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001045438731 691981040 /nfs/dbraw/zinc/98/10/40/691981040.db2.gz WFGMRYZTITUXCL-INIZCTEOSA-N 1 3 307.482 2.406 20 30 DEEDHO C#CCN1CCC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000886209819 692024694 /nfs/dbraw/zinc/02/46/94/692024694.db2.gz VWFHAHYBMQQTCC-GOSISDBHSA-N 1 3 303.494 2.471 20 30 DEEDHO CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001045947243 692060171 /nfs/dbraw/zinc/06/01/71/692060171.db2.gz JPLWJWJRAIPCDA-IEBWSBKVSA-N 1 3 319.493 2.055 20 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692940871 /nfs/dbraw/zinc/94/08/71/692940871.db2.gz KCSJPADCBROVDI-RCCFBDPRSA-N 1 3 317.477 2.112 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001052425938 693532154 /nfs/dbraw/zinc/53/21/54/693532154.db2.gz HQQXFGGEJJQSHF-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001052425938 693532158 /nfs/dbraw/zinc/53/21/58/693532158.db2.gz HQQXFGGEJJQSHF-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001052425939 693532320 /nfs/dbraw/zinc/53/23/20/693532320.db2.gz HQQXFGGEJJQSHF-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001052425939 693532321 /nfs/dbraw/zinc/53/23/21/693532321.db2.gz HQQXFGGEJJQSHF-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO CC#CCN1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052515294 693555102 /nfs/dbraw/zinc/55/51/02/693555102.db2.gz CRGPGAFDAOLIPQ-ROUUACIJSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001052515294 693555104 /nfs/dbraw/zinc/55/51/04/693555104.db2.gz CRGPGAFDAOLIPQ-ROUUACIJSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001398838202 1161118657 /nfs/dbraw/zinc/11/86/57/1161118657.db2.gz GOHLWNSHGFOWSJ-NRXISQOPSA-N 1 3 315.889 2.342 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001436402891 1179082227 /nfs/dbraw/zinc/08/22/27/1179082227.db2.gz KYNOTFMQCPOOJV-BIQWYFBQSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001436402891 1179082235 /nfs/dbraw/zinc/08/22/35/1179082235.db2.gz KYNOTFMQCPOOJV-BIQWYFBQSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(Cl)CN[C@H](CNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001444883666 1183620452 /nfs/dbraw/zinc/62/04/52/1183620452.db2.gz SOUOEWLCTZXQPH-CQSZACIVSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001072832445 790264998 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DEEDHO C=CCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294418 776953090 /nfs/dbraw/zinc/95/30/90/776953090.db2.gz OTFBHOXJIYPMBD-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104728834 778050491 /nfs/dbraw/zinc/05/04/91/778050491.db2.gz CCXNCSGCXDAKHS-OWCLPIDISA-N 1 3 318.465 2.381 20 30 DEEDHO C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN(C)CCC)CCC1 ZINC001105575191 780772731 /nfs/dbraw/zinc/77/27/31/780772731.db2.gz UNONEKXXRSIQBF-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCN1CCC(C(=O)NCCC2(C[NH2+]CCCC)CC2)CC1 ZINC001168320707 780836989 /nfs/dbraw/zinc/83/69/89/780836989.db2.gz LNTFWEXDTVKMCW-UHFFFAOYSA-N 1 3 319.493 2.008 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)[C@H]1C ZINC001088769077 780969218 /nfs/dbraw/zinc/96/92/18/780969218.db2.gz QDVWDRZRNRRUND-PVAVHDDUSA-N 1 3 305.466 2.016 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)[C@H]1C ZINC001088769077 780969223 /nfs/dbraw/zinc/96/92/23/780969223.db2.gz QDVWDRZRNRRUND-PVAVHDDUSA-N 1 3 305.466 2.016 20 30 DEEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089722612 783387258 /nfs/dbraw/zinc/38/72/58/783387258.db2.gz BABXVOFYCROGGP-INIZCTEOSA-N 1 3 319.493 2.265 20 30 DEEDHO C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC001085433050 783681970 /nfs/dbraw/zinc/68/19/70/783681970.db2.gz JYNYIXFMRMDGST-QZTJIDSGSA-N 1 3 313.445 2.012 20 30 DEEDHO C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966905030 783811403 /nfs/dbraw/zinc/81/14/03/783811403.db2.gz WVCBGJRCVAHHBP-SJORKVTESA-N 1 3 319.493 2.265 20 30 DEEDHO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001086250941 784523127 /nfs/dbraw/zinc/52/31/27/784523127.db2.gz UBLUNQMGSMGFON-IXDOHACOSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000968867386 784627276 /nfs/dbraw/zinc/62/72/76/784627276.db2.gz WKLIXOOCWZDQFH-IXDOHACOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000968867386 784627280 /nfs/dbraw/zinc/62/72/80/784627280.db2.gz WKLIXOOCWZDQFH-IXDOHACOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)N(C)CC)C2 ZINC001108717586 785503905 /nfs/dbraw/zinc/50/39/05/785503905.db2.gz PELRVAQJWNBHJN-XHSDSOJGSA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCC)C2 ZINC001108803649 785547805 /nfs/dbraw/zinc/54/78/05/785547805.db2.gz DUWURBVIXSLVJM-ULQDDVLXSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132549747 788127521 /nfs/dbraw/zinc/12/75/21/788127521.db2.gz ZCJPWSCMCJPNBY-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1C ZINC001133194546 788313539 /nfs/dbraw/zinc/31/35/39/788313539.db2.gz HFXSFOZNTPHHSG-QZTJIDSGSA-N 1 3 321.509 2.369 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C ZINC001133274074 788346586 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/nfs/dbraw/zinc/61/10/87/793611087.db2.gz NXWJQIPZOQEUSJ-BRWVUGGUSA-N 1 3 307.482 2.121 20 30 DEEDHO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175295924 794169781 /nfs/dbraw/zinc/16/97/81/794169781.db2.gz LJWMIRHDBIZOEI-MRXNPFEDSA-N 1 3 309.498 2.252 20 30 DEEDHO C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001112350106 794610008 /nfs/dbraw/zinc/61/00/08/794610008.db2.gz HQMNBXJHPAKWHZ-LNLFQRSKSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001120470197 795467671 /nfs/dbraw/zinc/46/76/71/795467671.db2.gz PAYWHMNJAZKNNG-SJORKVTESA-N 1 3 307.482 2.216 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001120470197 795467675 /nfs/dbraw/zinc/46/76/75/795467675.db2.gz PAYWHMNJAZKNNG-SJORKVTESA-N 1 3 307.482 2.216 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)N(C)CC)C[C@@H]1C ZINC001184714295 796109075 /nfs/dbraw/zinc/10/90/75/796109075.db2.gz WWJHQWRCDWIMCB-HOTGVXAUSA-N 1 3 309.498 2.367 20 30 DEEDHO C#CCOc1ccc(CN2CCC3(C[NH+](C)C3)CC2)cc1OC ZINC001138346900 796201262 /nfs/dbraw/zinc/20/12/62/796201262.db2.gz PPCXCMCJIPSBAM-UHFFFAOYSA-N 1 3 314.429 2.235 20 30 DEEDHO C#CCOc1ccc(C[NH+]2CCC3(CN(C)C3)CC2)cc1OC ZINC001138346900 796201269 /nfs/dbraw/zinc/20/12/69/796201269.db2.gz PPCXCMCJIPSBAM-UHFFFAOYSA-N 1 3 314.429 2.235 20 30 DEEDHO C#CCC[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001185171769 796202412 /nfs/dbraw/zinc/20/24/12/796202412.db2.gz XYXPPFSJBOANTN-IAGOWNOFSA-N 1 3 321.509 2.062 20 30 DEEDHO C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192399244 797385182 /nfs/dbraw/zinc/38/51/82/797385182.db2.gz XEQKNFXEVIQCJR-INIZCTEOSA-N 1 3 309.498 2.463 20 30 DEEDHO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192399244 797385188 /nfs/dbraw/zinc/38/51/88/797385188.db2.gz XEQKNFXEVIQCJR-INIZCTEOSA-N 1 3 309.498 2.463 20 30 DEEDHO C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001194266364 797702745 /nfs/dbraw/zinc/70/27/45/797702745.db2.gz 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C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001110682745 798964410 /nfs/dbraw/zinc/96/44/10/798964410.db2.gz BANNYYFKDSYNCH-HZMVEIRTSA-N 1 3 305.466 2.158 20 30 DEEDHO C=C(C)CC[N@H+]1CC=C(CCNC(=O)CN(C)C(C)C)CC1 ZINC001161946834 798976055 /nfs/dbraw/zinc/97/60/55/798976055.db2.gz HFMCTXIBSZEECD-UHFFFAOYSA-N 1 3 307.482 2.431 20 30 DEEDHO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)CN(C)C(C)C)CC1 ZINC001161946834 798976059 /nfs/dbraw/zinc/97/60/59/798976059.db2.gz HFMCTXIBSZEECD-UHFFFAOYSA-N 1 3 307.482 2.431 20 30 DEEDHO COc1cc(NCC2(N(C)C)CC[NH+](C)CC2)ccc1CC#N ZINC001164212088 799540733 /nfs/dbraw/zinc/54/07/33/799540733.db2.gz XSNYLIWGMWGTQY-UHFFFAOYSA-N 1 3 316.449 2.199 20 30 DEEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1CCC)C2 ZINC001095498779 799632874 /nfs/dbraw/zinc/63/28/74/799632874.db2.gz DRBMZIFQRMRIMW-QZWWFDLISA-N 1 3 305.466 2.158 20 30 DEEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1CCC)C2 ZINC001095498779 799632879 /nfs/dbraw/zinc/63/28/79/799632879.db2.gz DRBMZIFQRMRIMW-QZWWFDLISA-N 1 3 305.466 2.158 20 30 DEEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1CC(C)C)C2 ZINC001095668589 799687925 /nfs/dbraw/zinc/68/79/25/799687925.db2.gz RXAFAEMPABWMLR-VSZNYVQBSA-N 1 3 319.493 2.404 20 30 DEEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1CC(C)C)C2 ZINC001095668589 799687931 /nfs/dbraw/zinc/68/79/31/799687931.db2.gz RXAFAEMPABWMLR-VSZNYVQBSA-N 1 3 319.493 2.404 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203660037 800101577 /nfs/dbraw/zinc/10/15/77/800101577.db2.gz NUDZKTVMKJVCQR-CVEARBPZSA-N 1 3 316.449 2.244 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203791396 800123853 /nfs/dbraw/zinc/12/38/53/800123853.db2.gz IEIQGUUFMCRAGC-HOTGVXAUSA-N 1 3 307.482 2.310 20 30 DEEDHO C=C(C)CC[NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001206275713 800501115 /nfs/dbraw/zinc/50/11/15/800501115.db2.gz ZHAGYSRDRJIOPB-INIZCTEOSA-N 1 3 307.482 2.123 20 30 DEEDHO C[NH+]1CCC(CCN2CCN(c3cccc(C#N)c3)CC2)CC1 ZINC001207487479 800766342 /nfs/dbraw/zinc/76/63/42/800766342.db2.gz KIQUKLQWFKSORV-UHFFFAOYSA-N 1 3 312.461 2.412 20 30 DEEDHO C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208340991 800959808 /nfs/dbraw/zinc/95/98/08/800959808.db2.gz SPPJILYYDHGLJY-CVEARBPZSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[C@@H](C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001229185602 801239299 /nfs/dbraw/zinc/23/92/99/801239299.db2.gz OYOBQFMSNUPJPK-CVEARBPZSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001234402267 802369415 /nfs/dbraw/zinc/36/94/15/802369415.db2.gz KHUDBMOWGIUNTI-IXDOHACOSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001234402267 802369424 /nfs/dbraw/zinc/36/94/24/802369424.db2.gz KHUDBMOWGIUNTI-IXDOHACOSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCCN1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877921 802623858 /nfs/dbraw/zinc/62/38/58/802623858.db2.gz QXOABPCXMGNHQO-KZNAEPCWSA-N 1 3 321.509 2.462 20 30 DEEDHO C=CCC[NH+]1CCC(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001224576108 802883139 /nfs/dbraw/zinc/88/31/39/802883139.db2.gz JAQKKONGYLRCTJ-UHFFFAOYSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001226800882 803162911 /nfs/dbraw/zinc/16/29/11/803162911.db2.gz PLNGUDYJEXTLNP-ZACQAIPSSA-N 1 3 307.482 2.310 20 30 DEEDHO C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001505836693 1061019525 /nfs/dbraw/zinc/01/95/25/1061019525.db2.gz IBYNYDUUJHVLQC-QGZVFWFLSA-N 1 3 321.509 2.347 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)CCC ZINC001479613552 1061520502 /nfs/dbraw/zinc/52/05/02/1061520502.db2.gz NEZDYSPEIZNUAH-HYVNUMGLSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)CCC ZINC001479613552 1061520519 /nfs/dbraw/zinc/52/05/19/1061520519.db2.gz NEZDYSPEIZNUAH-HYVNUMGLSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001494165232 1064152299 /nfs/dbraw/zinc/15/22/99/1064152299.db2.gz CQHIXRKSOMJEPT-KRWDZBQOSA-N 1 3 307.482 2.075 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001494165232 1064152302 /nfs/dbraw/zinc/15/23/02/1064152302.db2.gz CQHIXRKSOMJEPT-KRWDZBQOSA-N 1 3 307.482 2.075 20 30 DEEDHO C#CCC[NH2+]C1(CNC(=O)C(C)(C)N2CCCCC2)CCCC1 ZINC001568235372 1064720925 /nfs/dbraw/zinc/72/09/25/1064720925.db2.gz MSRKPFBIFQEGQM-UHFFFAOYSA-N 1 3 319.493 2.293 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001568357838 1064802907 /nfs/dbraw/zinc/80/29/07/1064802907.db2.gz MKRRVLMMTINCJE-NVXWUHKLSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001495388552 1064873777 /nfs/dbraw/zinc/87/37/77/1064873777.db2.gz RKVKRWPCETWCEE-DLBZAZTESA-N 1 3 307.482 2.123 20 30 DEEDHO CCCCCCCN1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001569381606 1065474491 /nfs/dbraw/zinc/47/44/91/1065474491.db2.gz UGISBYHIAKLMRS-MRXNPFEDSA-N 1 3 307.482 2.243 20 30 DEEDHO C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001496914789 1065801407 /nfs/dbraw/zinc/80/14/07/1065801407.db2.gz ARYPTEYRTBFGGX-ZWKOTPCHSA-N 1 3 315.461 2.422 20 30 DEEDHO C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001267053378 1078531541 /nfs/dbraw/zinc/53/15/41/1078531541.db2.gz NPSJKUBPFFUAPT-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO N#Cc1ccc(CN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC001580066758 1067487928 /nfs/dbraw/zinc/48/79/28/1067487928.db2.gz SOFXIFMWIVNEGF-OALUTQOASA-N 1 3 311.429 2.291 20 30 DEEDHO CC#CCN1CCCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001570825554 1068131217 /nfs/dbraw/zinc/13/12/17/1068131217.db2.gz UVHLIFKPLYRWTC-ZWKOTPCHSA-N 1 3 321.509 2.491 20 30 DEEDHO C=CCC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001570841649 1068136576 /nfs/dbraw/zinc/13/65/76/1068136576.db2.gz QABFCEYMWMZYKE-OAHLLOKOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCN1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001483668163 1078766405 /nfs/dbraw/zinc/76/64/05/1078766405.db2.gz SLJHRCIUVHORLC-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1CCC)C1CCCC1 ZINC001484000891 1079237107 /nfs/dbraw/zinc/23/71/07/1079237107.db2.gz KJZRYOGZPRQDJL-SJORKVTESA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H](NC(=O)Cc1nc[nH]c1C)C1CCCC1 ZINC001484013363 1079242779 /nfs/dbraw/zinc/24/27/79/1079242779.db2.gz UKALAKSTXAXPDD-QGZVFWFLSA-N 1 3 318.465 2.491 20 30 DEEDHO C=C(C)CN(CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CC1 ZINC001481174573 1079292356 /nfs/dbraw/zinc/29/23/56/1079292356.db2.gz RGAQNJLCSIOGDX-IRXDYDNUSA-N 1 3 305.466 2.160 20 30 DEEDHO C=C(C)CN(CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1CC1 ZINC001481174573 1079292360 /nfs/dbraw/zinc/29/23/60/1079292360.db2.gz RGAQNJLCSIOGDX-IRXDYDNUSA-N 1 3 305.466 2.160 20 30 DEEDHO CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001484161190 1079335884 /nfs/dbraw/zinc/33/58/84/1079335884.db2.gz OFIQKHRNVRFZBI-HKUYNNGSSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001484161190 1079335885 /nfs/dbraw/zinc/33/58/85/1079335885.db2.gz OFIQKHRNVRFZBI-HKUYNNGSSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CCN1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001484161193 1079336563 /nfs/dbraw/zinc/33/65/63/1079336563.db2.gz OFIQKHRNVRFZBI-MJGOQNOKSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CCN1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001484161193 1079336567 /nfs/dbraw/zinc/33/65/67/1079336567.db2.gz OFIQKHRNVRFZBI-MJGOQNOKSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001484339646 1079549757 /nfs/dbraw/zinc/54/97/57/1079549757.db2.gz YXEQGVCJCSSUFM-UONOGXRCSA-N 1 3 313.873 2.050 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001267929476 1079612047 /nfs/dbraw/zinc/61/20/47/1079612047.db2.gz LSMJEPCZIYTYEV-ULQDDVLXSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)CN(C)CCC ZINC001268163307 1080140587 /nfs/dbraw/zinc/14/05/87/1080140587.db2.gz UTCKVQYDRHMILK-HNNXBMFYSA-N 1 3 315.889 2.442 20 30 DEEDHO C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001268181452 1080171164 /nfs/dbraw/zinc/17/11/64/1080171164.db2.gz XSQHEQUGONSINH-HZPDHXFCSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001485536720 1080291323 /nfs/dbraw/zinc/29/13/23/1080291323.db2.gz BQKFFRJHKQFUBE-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCN1CC[C@@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001481734108 1080405137 /nfs/dbraw/zinc/40/51/37/1080405137.db2.gz DDUFXEWVJSZKGY-QGZVFWFLSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCN1CC[C@@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001481734108 1080405142 /nfs/dbraw/zinc/40/51/42/1080405142.db2.gz DDUFXEWVJSZKGY-QGZVFWFLSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001661788138 1080523155 /nfs/dbraw/zinc/52/31/55/1080523155.db2.gz JZCMHWHIDGTKSN-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCN1CCCC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001661896499 1080542359 /nfs/dbraw/zinc/54/23/59/1080542359.db2.gz OKMCDHVIZBTGSG-QGZVFWFLSA-N 1 3 307.482 2.409 20 30 DEEDHO C=CCC[NH2+]C[C@@]1(NC(=O)Cc2nc[nH]c2C)CCCC[C@H]1C ZINC001666069316 1081119820 /nfs/dbraw/zinc/11/98/20/1081119820.db2.gz SLZASJBFLQMHJS-KDOFPFPSSA-N 1 3 318.465 2.491 20 30 DEEDHO C=CC[NH2+]CC[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001666157478 1081128619 /nfs/dbraw/zinc/12/86/19/1081128619.db2.gz ODCPJQGBZNEGFD-KRWDZBQOSA-N 1 3 307.482 2.123 20 30 DEEDHO C#CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001666389564 1081149629 /nfs/dbraw/zinc/14/96/29/1081149629.db2.gz JSPGKOSIKYWZJY-SFHVURJKSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001269296863 1081203139 /nfs/dbraw/zinc/20/31/39/1081203139.db2.gz SLZROENLGLCSPW-QGZVFWFLSA-N 1 3 307.482 2.361 20 30 DEEDHO C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001674504604 1081882894 /nfs/dbraw/zinc/88/28/94/1081882894.db2.gz FYZAZWMKCFIYRZ-IAGOWNOFSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001674504604 1081882902 /nfs/dbraw/zinc/88/29/02/1081882902.db2.gz FYZAZWMKCFIYRZ-IAGOWNOFSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)CN(CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001266617669 1082219797 /nfs/dbraw/zinc/21/97/97/1082219797.db2.gz SCBGIOYXXQFPQX-RDJZCZTQSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@H+]1CC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]21 ZINC001482661286 1082441796 /nfs/dbraw/zinc/44/17/96/1082441796.db2.gz DFHLAWRXTZOFIV-IRXDYDNUSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]21 ZINC001482661286 1082441798 /nfs/dbraw/zinc/44/17/98/1082441798.db2.gz DFHLAWRXTZOFIV-IRXDYDNUSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001482685327 1082481172 /nfs/dbraw/zinc/48/11/72/1082481172.db2.gz OILVGCAVZYQRGL-HOTGVXAUSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107438449 1083395823 /nfs/dbraw/zinc/39/58/23/1083395823.db2.gz AUIOPTUOEGSNLQ-IEBWSBKVSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107438449 1083395832 /nfs/dbraw/zinc/39/58/32/1083395832.db2.gz AUIOPTUOEGSNLQ-IEBWSBKVSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001491315006 1084228960 /nfs/dbraw/zinc/22/89/60/1084228960.db2.gz VMPAXZIWRWDFPN-ZBRFXRBCSA-N 1 3 319.493 2.260 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001491315006 1084228966 /nfs/dbraw/zinc/22/89/66/1084228966.db2.gz VMPAXZIWRWDFPN-ZBRFXRBCSA-N 1 3 319.493 2.260 20 30 DEEDHO CCCCCCCN1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235205932 1084344923 /nfs/dbraw/zinc/34/49/23/1084344923.db2.gz PGMLVTVNZCBXON-UHFFFAOYSA-N 1 3 322.497 2.430 20 30 DEEDHO N#CCCC[NH+]1CCC2(CCCN(Cc3cn[nH]c3)C2)CC1 ZINC001277943013 1084419598 /nfs/dbraw/zinc/41/95/98/1084419598.db2.gz JYQYTAAZSSLSJB-UHFFFAOYSA-N 1 3 301.438 2.391 20 30 DEEDHO C=CCN1CC=C(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001486515855 1085400661 /nfs/dbraw/zinc/40/06/61/1085400661.db2.gz RYGVYOKTPFDLCF-SFHVURJKSA-N 1 3 323.456 2.133 20 30 DEEDHO C=CCN1CC=C(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001486515855 1085400666 /nfs/dbraw/zinc/40/06/66/1085400666.db2.gz RYGVYOKTPFDLCF-SFHVURJKSA-N 1 3 323.456 2.133 20 30 DEEDHO C=CC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)CC1 ZINC000957564221 1088413045 /nfs/dbraw/zinc/41/30/45/1088413045.db2.gz YIFDQPHDYAUUNB-KRWDZBQOSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001082783407 1090077313 /nfs/dbraw/zinc/07/73/13/1090077313.db2.gz WMRYCLURZUWIBD-ZACQAIPSSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCCCCC[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001276034673 1091134102 /nfs/dbraw/zinc/13/41/02/1091134102.db2.gz AYGFXZMGDCXRAO-HDICACEKSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCCCCC[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001276034673 1091134109 /nfs/dbraw/zinc/13/41/09/1091134109.db2.gz AYGFXZMGDCXRAO-HDICACEKSA-N 1 3 321.509 2.465 20 30 DEEDHO C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001274412536 1091230508 /nfs/dbraw/zinc/23/05/08/1091230508.db2.gz GUAUBQSKJWWEBE-TUYSUELWSA-N 1 3 307.482 2.478 20 30 DEEDHO C=CCCCCN1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001273495196 1091882872 /nfs/dbraw/zinc/88/28/72/1091882872.db2.gz QCRFULPAAMYFFE-SFHVURJKSA-N 1 3 307.482 2.361 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H](N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000948772284 1091927063 /nfs/dbraw/zinc/92/70/63/1091927063.db2.gz VIOKDUNFWVZQIO-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000948772284 1091927071 /nfs/dbraw/zinc/92/70/71/1091927071.db2.gz VIOKDUNFWVZQIO-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001318684949 1140385564 /nfs/dbraw/zinc/38/55/64/1140385564.db2.gz CCLJPSCKAPHGRX-FUHWJXTLSA-N 1 3 307.482 2.310 20 30 DEEDHO CCCCCCCCCC[C@@H](O)CN1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246023365 1140848555 /nfs/dbraw/zinc/84/85/55/1140848555.db2.gz RKGBOWZFMYMUKH-BBWFWOEESA-N 1 3 300.487 2.130 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]21 ZINC001278496203 1141652119 /nfs/dbraw/zinc/65/21/19/1141652119.db2.gz YNFIHHUURUMKGU-GVDBMIGSSA-N 1 3 307.482 2.119 20 30 DEEDHO C#CC[N@@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)C1CCCCCC1 ZINC001323721435 1141880236 /nfs/dbraw/zinc/88/02/36/1141880236.db2.gz HRPDBONALXLNAA-GOSISDBHSA-N 1 3 321.509 2.347 20 30 DEEDHO C#CC[N@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)C1CCCCCC1 ZINC001323721435 1141880237 /nfs/dbraw/zinc/88/02/37/1141880237.db2.gz HRPDBONALXLNAA-GOSISDBHSA-N 1 3 321.509 2.347 20 30 DEEDHO C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001264127449 1144477342 /nfs/dbraw/zinc/47/73/42/1144477342.db2.gz FTURWJGQFNCRGN-ROUUACIJSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001264194832 1144504343 /nfs/dbraw/zinc/50/43/43/1144504343.db2.gz GMESRFBAFVUERZ-HZPDHXFCSA-N 1 3 309.498 2.365 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001264194832 1144504347 /nfs/dbraw/zinc/50/43/47/1144504347.db2.gz GMESRFBAFVUERZ-HZPDHXFCSA-N 1 3 309.498 2.365 20 30 DEEDHO C[NH+](C)CC#CCNC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001353301745 1151822294 /nfs/dbraw/zinc/82/22/94/1151822294.db2.gz TUMGDAOWLKIJAT-AWEZNQCLSA-N 1 3 301.217 2.181 20 30 DEEDHO CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001265526394 1144709231 /nfs/dbraw/zinc/70/92/31/1144709231.db2.gz ZOPTVIPJJLPEPN-ROUUACIJSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001265526394 1144709233 /nfs/dbraw/zinc/70/92/33/1144709233.db2.gz ZOPTVIPJJLPEPN-ROUUACIJSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001265697167 1144730161 /nfs/dbraw/zinc/73/01/61/1144730161.db2.gz PCXOSJLRGMCJGI-QZTJIDSGSA-N 1 3 319.493 2.197 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001265697167 1144730165 /nfs/dbraw/zinc/73/01/65/1144730165.db2.gz PCXOSJLRGMCJGI-QZTJIDSGSA-N 1 3 319.493 2.197 20 30 DEEDHO C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001266067096 1144802223 /nfs/dbraw/zinc/80/22/23/1144802223.db2.gz IOZFQCLNDIAIJO-HOTGVXAUSA-N 1 3 307.482 2.005 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001279396283 1144821890 /nfs/dbraw/zinc/82/18/90/1144821890.db2.gz RZXQPOSTUHCFCW-TVFCKZIOSA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001279396283 1144821891 /nfs/dbraw/zinc/82/18/91/1144821891.db2.gz RZXQPOSTUHCFCW-TVFCKZIOSA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001280746997 1144852537 /nfs/dbraw/zinc/85/25/37/1144852537.db2.gz NAMSLFXAYFZMQC-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001280746997 1144852538 /nfs/dbraw/zinc/85/25/38/1144852538.db2.gz NAMSLFXAYFZMQC-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001491834917 1146908688 /nfs/dbraw/zinc/90/86/88/1146908688.db2.gz PZHAHZYHLZMECE-MRXNPFEDSA-N 1 3 309.498 2.369 20 30 DEEDHO C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001317407843 1147702383 /nfs/dbraw/zinc/70/23/83/1147702383.db2.gz ZGPJJMQGWCTIFM-RHSMWYFYSA-N 1 3 313.461 2.259 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001318347006 1147814211 /nfs/dbraw/zinc/81/42/11/1147814211.db2.gz NNPREAWRDHSXTP-JKSUJKDBSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001318347006 1147814212 /nfs/dbraw/zinc/81/42/12/1147814212.db2.gz NNPREAWRDHSXTP-JKSUJKDBSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[NH2+]CC[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001326399181 1148092819 /nfs/dbraw/zinc/09/28/19/1148092819.db2.gz XFXZOGZOFMEXKZ-QGZVFWFLSA-N 1 3 307.482 2.123 20 30 DEEDHO C[C@@H]1CCC[N@H+](CCNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001326583548 1148151673 /nfs/dbraw/zinc/15/16/73/1148151673.db2.gz AZMFKOMIGVILKY-OAHLLOKOSA-N 1 3 314.433 2.208 20 30 DEEDHO C[C@@H]1CCC[N@@H+](CCNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001326583548 1148151687 /nfs/dbraw/zinc/15/16/87/1148151687.db2.gz AZMFKOMIGVILKY-OAHLLOKOSA-N 1 3 314.433 2.208 20 30 DEEDHO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCCNCC3)CC2)cc1 ZINC000591578408 357737687 /nfs/dbraw/zinc/73/76/87/357737687.db2.gz ZTMMXFNFCFQHGK-SFHVURJKSA-N 1 3 312.461 2.254 20 30 DEEDHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593322334 358054822 /nfs/dbraw/zinc/05/48/22/358054822.db2.gz MDVBLVIKIVAQJV-DNVCBOLYSA-N 1 3 312.461 2.110 20 30 DEEDHO N#Cc1cccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000180997724 199238671 /nfs/dbraw/zinc/23/86/71/199238671.db2.gz BWJAKUGNNFSKDU-FQEVSTJZSA-N 1 3 321.424 2.415 20 30 DEEDHO N#Cc1cccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000180997724 199238672 /nfs/dbraw/zinc/23/86/72/199238672.db2.gz BWJAKUGNNFSKDU-FQEVSTJZSA-N 1 3 321.424 2.415 20 30 DEEDHO N#Cc1ccc2c(c1)[C@H](Nc1cc(N3CCNCC3)cc[nH+]1)CC2 ZINC000602019105 360243271 /nfs/dbraw/zinc/24/32/71/360243271.db2.gz AVVXPYFMYJVWKI-GOSISDBHSA-N 1 3 319.412 2.462 20 30 DEEDHO C[C@H](CCC#N)C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000602595870 360448259 /nfs/dbraw/zinc/44/82/59/360448259.db2.gz FKKASSPWPJQINC-CRAIPNDOSA-N 1 3 301.434 2.283 20 30 DEEDHO N#Cc1cccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)n1 ZINC000602705945 360509159 /nfs/dbraw/zinc/50/91/59/360509159.db2.gz FAQBEOCBPHHVRH-UHFFFAOYSA-N 1 3 321.428 2.350 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)NC[C@H]1CCCC[NH2+]1)C(C)C ZINC000669385696 540823618 /nfs/dbraw/zinc/82/36/18/540823618.db2.gz HHMHMORHGLWDIX-SJORKVTESA-N 1 3 322.497 2.126 20 30 DEEDHO C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000619374700 363775320 /nfs/dbraw/zinc/77/53/20/363775320.db2.gz VRWWFEWHIJFHSI-KSSFIOAISA-N 1 3 324.428 2.087 20 30 DEEDHO CN(CCC(=O)Nc1ccccc1C#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841597 401911728 /nfs/dbraw/zinc/91/17/28/401911728.db2.gz OERXKWSKIGMFJB-OAHLLOKOSA-N 1 3 314.433 2.160 20 30 DEEDHO CN(CCC(=O)Nc1ccccc1C#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841597 401911730 /nfs/dbraw/zinc/91/17/30/401911730.db2.gz OERXKWSKIGMFJB-OAHLLOKOSA-N 1 3 314.433 2.160 20 30 DEEDHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(OC)c(C#N)c1 ZINC000150979557 402008772 /nfs/dbraw/zinc/00/87/72/402008772.db2.gz MVYATEZPXOHECA-MRXNPFEDSA-N 1 3 305.422 2.013 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCc1ccc(OC)cc1 ZINC000104176823 402199736 /nfs/dbraw/zinc/19/97/36/402199736.db2.gz JSJJKDCOGUQUNH-MRXNPFEDSA-N 1 3 318.465 2.016 20 30 DEEDHO CC[NH+]=C(NCc1ccc(C)nc1)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000158495208 402307195 /nfs/dbraw/zinc/30/71/95/402307195.db2.gz XAAYOCYJVYHIGF-YOEHRIQHSA-N 1 3 317.481 2.174 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)C(C)C ZINC000180989479 402631747 /nfs/dbraw/zinc/63/17/47/402631747.db2.gz LGHPEGYVZSPVIQ-SJLPKXTDSA-N 1 3 307.482 2.333 20 30 DEEDHO CN(CCC[NH+]1CCCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281662435 403079534 /nfs/dbraw/zinc/07/95/34/403079534.db2.gz JAPPSKZZSGMHLG-SFHVURJKSA-N 1 3 324.428 2.185 20 30 DEEDHO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000343607980 403659830 /nfs/dbraw/zinc/65/98/30/403659830.db2.gz NHJYQRTYAYFFFA-MSOLQXFVSA-N 1 3 324.428 2.231 20 30 DEEDHO CCC[N@H+]1CCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000343607980 403659833 /nfs/dbraw/zinc/65/98/33/403659833.db2.gz NHJYQRTYAYFFFA-MSOLQXFVSA-N 1 3 324.428 2.231 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C)C[N@@H+](CC)CCC)CC1 ZINC000357751203 404742878 /nfs/dbraw/zinc/74/28/78/404742878.db2.gz UCWAKIOLFUODCH-MRXNPFEDSA-N 1 3 324.513 2.447 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C)C[N@H+](CC)CCC)CC1 ZINC000357751203 404742880 /nfs/dbraw/zinc/74/28/80/404742880.db2.gz UCWAKIOLFUODCH-MRXNPFEDSA-N 1 3 324.513 2.447 20 30 DEEDHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424058602 404988539 /nfs/dbraw/zinc/98/85/39/404988539.db2.gz LREXOQJHIRMVPY-IRXDYDNUSA-N 1 3 316.449 2.207 20 30 DEEDHO N#Cc1cccc(CCNCc2cc(C3CC[NH2+]CC3)no2)c1 ZINC000425896321 405328362 /nfs/dbraw/zinc/32/83/62/405328362.db2.gz NZEBNMJJORLBGD-UHFFFAOYSA-N 1 3 310.401 2.346 20 30 DEEDHO Cc1cccc(N2CC[NH+](CCCCNCCC#N)CC2)c1 ZINC000577858915 405528220 /nfs/dbraw/zinc/52/82/20/405528220.db2.gz DFVBBGYWSKDGQE-UHFFFAOYSA-N 1 3 300.450 2.401 20 30 DEEDHO C=C(CC)CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000459085706 405737412 /nfs/dbraw/zinc/73/74/12/405737412.db2.gz VROFSGPBNSWSQV-MRXNPFEDSA-N 1 3 310.486 2.010 20 30 DEEDHO C=C(CC)CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000459085706 405737415 /nfs/dbraw/zinc/73/74/15/405737415.db2.gz VROFSGPBNSWSQV-MRXNPFEDSA-N 1 3 310.486 2.010 20 30 DEEDHO CN(C)CCOc1ccccc1CNC(=[NH2+])NC1CCCCC1 ZINC000264131930 225308361 /nfs/dbraw/zinc/30/83/61/225308361.db2.gz YEWJZZSJGIXPJG-UHFFFAOYSA-N 1 3 318.465 2.364 20 30 DEEDHO C=CC[C@@]1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCC[NH2+]1 ZINC000662674038 425709178 /nfs/dbraw/zinc/70/91/78/425709178.db2.gz XDXRUUJYDDECSZ-SFHVURJKSA-N 1 3 317.433 2.264 20 30 DEEDHO C=CC[C@]1(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CCC[NH2+]1 ZINC000662730908 425723938 /nfs/dbraw/zinc/72/39/38/425723938.db2.gz URQGBHUUJWGWHU-QFBILLFUSA-N 1 3 315.461 2.321 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH2+]C)C(C)C ZINC000417063861 277848089 /nfs/dbraw/zinc/84/80/89/277848089.db2.gz NWVGEJGFBZDHQV-SJORKVTESA-N 1 3 322.497 2.078 20 30 DEEDHO CC1(C)CC([NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)CC(C)(C)[NH2+]1 ZINC000330172208 278189135 /nfs/dbraw/zinc/18/91/35/278189135.db2.gz GFDZDHXJCIZEIG-GFCCVEGCSA-N 1 3 319.453 2.011 20 30 DEEDHO C=CCCC[C@H](N)C(=O)N(CC[NH3+])Cc1cccc(Cl)c1 ZINC001358060273 1152359347 /nfs/dbraw/zinc/35/93/47/1152359347.db2.gz DXNSIDTUOKDGED-HNNXBMFYSA-N 1 3 309.841 2.311 20 30 DEEDHO C=C(Cl)CNC1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001378716430 1152422254 /nfs/dbraw/zinc/42/22/54/1152422254.db2.gz OWQLRGIQZZEGCK-CQSZACIVSA-N 1 3 313.873 2.099 20 30 DEEDHO C=C(Cl)CNC1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001378716430 1152422257 /nfs/dbraw/zinc/42/22/57/1152422257.db2.gz OWQLRGIQZZEGCK-CQSZACIVSA-N 1 3 313.873 2.099 20 30 DEEDHO N#Cc1ccc(N2CCC[C@H](NC3CC[NH2+]CC3)C2)c(F)c1 ZINC000422976698 534791331 /nfs/dbraw/zinc/79/13/31/534791331.db2.gz ISKANDGCBCARKF-HNNXBMFYSA-N 1 3 302.397 2.008 20 30 DEEDHO N#Cc1ccc(N2CCC[C@H]([NH2+]C3CCNCC3)C2)c(F)c1 ZINC000422976698 534791334 /nfs/dbraw/zinc/79/13/34/534791334.db2.gz ISKANDGCBCARKF-HNNXBMFYSA-N 1 3 302.397 2.008 20 30 DEEDHO C[NH+]=C(NC[C@]1(N(C)C)CCC[C@@H](C)C1)N(C)Cc1ccon1 ZINC000261741803 526378305 /nfs/dbraw/zinc/37/83/05/526378305.db2.gz KSTOYYUDGNMFPO-PBHICJAKSA-N 1 3 321.469 2.192 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000338840942 526582031 /nfs/dbraw/zinc/58/20/31/526582031.db2.gz KWJPPYRIZMXFNG-UHFFFAOYSA-N 1 3 305.466 2.018 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1CCC(F)(F)CC1 ZINC000261732796 529070410 /nfs/dbraw/zinc/07/04/10/529070410.db2.gz OKXRSLVDLPAFBS-CYBMUJFWSA-N 1 3 302.413 2.201 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001020927282 623191622 /nfs/dbraw/zinc/19/16/22/623191622.db2.gz KWBCOUCJIPSCFL-AJNGGQMLSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001021090879 623336552 /nfs/dbraw/zinc/33/65/52/623336552.db2.gz MURGLDICLKQMGW-WKILWMFISA-N 1 3 301.434 2.175 20 30 DEEDHO C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC000970529120 623522886 /nfs/dbraw/zinc/52/28/86/623522886.db2.gz MIEPRTGFOSPDHJ-NVXWUHKLSA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000970592708 623564017 /nfs/dbraw/zinc/56/40/17/623564017.db2.gz DJRRQLVDSXUAES-OAHLLOKOSA-N 1 3 315.461 2.374 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670223 623929812 /nfs/dbraw/zinc/92/98/12/623929812.db2.gz JMVLBASDNAWVAZ-DLBZAZTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670223 623929813 /nfs/dbraw/zinc/92/98/13/623929813.db2.gz JMVLBASDNAWVAZ-DLBZAZTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N(C)CCCCCC[NH3+])CC1 ZINC000891521102 624467826 /nfs/dbraw/zinc/46/78/26/624467826.db2.gz SVUVZMSCCSYFOI-UHFFFAOYSA-N 1 3 310.486 2.187 20 30 DEEDHO C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000971681706 624503091 /nfs/dbraw/zinc/50/30/91/624503091.db2.gz FSGLSUVSJWPXBM-IAGOWNOFSA-N 1 3 305.466 2.112 20 30 DEEDHO C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000971681706 624503094 /nfs/dbraw/zinc/50/30/94/624503094.db2.gz FSGLSUVSJWPXBM-IAGOWNOFSA-N 1 3 305.466 2.112 20 30 DEEDHO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C(C)(C)C1 ZINC000977214364 633880527 /nfs/dbraw/zinc/88/05/27/633880527.db2.gz CPFGLKBJILWCGD-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C(C)(C)C1 ZINC000977214364 633880529 /nfs/dbraw/zinc/88/05/29/633880529.db2.gz CPFGLKBJILWCGD-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980144778 634861843 /nfs/dbraw/zinc/86/18/43/634861843.db2.gz BNEOYZGNCDMGPP-ULQDDVLXSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980144778 634861844 /nfs/dbraw/zinc/86/18/44/634861844.db2.gz BNEOYZGNCDMGPP-ULQDDVLXSA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001027925539 634981753 /nfs/dbraw/zinc/98/17/53/634981753.db2.gz UBDKTIULJJVTDB-SJORKVTESA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001027925539 634981754 /nfs/dbraw/zinc/98/17/54/634981754.db2.gz UBDKTIULJJVTDB-SJORKVTESA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCN1CC=C(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001001370167 635480546 /nfs/dbraw/zinc/48/05/46/635480546.db2.gz HLRDZZXZFNDAOK-SJORKVTESA-N 1 3 305.466 2.041 20 30 DEEDHO C=C(C)CC[NH+]1CCC(NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001004203148 636222765 /nfs/dbraw/zinc/22/27/65/636222765.db2.gz HWXDHVOWZHAECQ-HZPDHXFCSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004367411 636394423 /nfs/dbraw/zinc/39/44/23/636394423.db2.gz CMXOMSHXNSJOET-MSOLQXFVSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004367411 636394426 /nfs/dbraw/zinc/39/44/26/636394426.db2.gz CMXOMSHXNSJOET-MSOLQXFVSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779082 636646246 /nfs/dbraw/zinc/64/62/46/636646246.db2.gz FTFKCGPOFXAPPK-OKZBNKHCSA-N 1 3 319.493 2.075 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779082 636646249 /nfs/dbraw/zinc/64/62/49/636646249.db2.gz FTFKCGPOFXAPPK-OKZBNKHCSA-N 1 3 319.493 2.075 20 30 DEEDHO C=C(C)CC[N@H+]1CCCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC000989728100 641211650 /nfs/dbraw/zinc/21/16/50/641211650.db2.gz AXBUEENHJYGJQW-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1CCCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC000989728100 641211651 /nfs/dbraw/zinc/21/16/51/641211651.db2.gz AXBUEENHJYGJQW-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000900174425 642287859 /nfs/dbraw/zinc/28/78/59/642287859.db2.gz LDROUDJKZDZTCW-UHFFFAOYSA-N 1 3 305.422 2.203 20 30 DEEDHO C#CCN(CCOC)CC1(c2ccccc2)CC[NH+](CC#C)CC1 ZINC000785488300 643239907 /nfs/dbraw/zinc/23/99/07/643239907.db2.gz RVCXLABXKSIHLN-UHFFFAOYSA-N 1 3 324.468 2.235 20 30 DEEDHO COCCN(C)N=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000794963118 644500975 /nfs/dbraw/zinc/50/09/75/644500975.db2.gz KYXLXMYVQVPTKL-UHFFFAOYSA-N 1 3 318.465 2.129 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H](N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC000948775713 646626940 /nfs/dbraw/zinc/62/69/40/646626940.db2.gz PCUPNPNQGDTURM-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC000948775713 646626944 /nfs/dbraw/zinc/62/69/44/646626944.db2.gz PCUPNPNQGDTURM-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CN1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000993928472 647763109 /nfs/dbraw/zinc/76/31/09/647763109.db2.gz NNEZIMISYIAUHL-NVXWUHKLSA-N 1 3 307.482 2.264 20 30 DEEDHO N#CCCCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849003148 651578835 /nfs/dbraw/zinc/57/88/35/651578835.db2.gz MJEJOEIDDPONOS-UHFFFAOYSA-N 1 3 313.449 2.459 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOC1CCCCCC1 ZINC000304751264 685260206 /nfs/dbraw/zinc/26/02/06/685260206.db2.gz JBVCVMSAVXHSGU-HNNXBMFYSA-N 1 3 310.486 2.114 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOc1c(C)cccc1C ZINC000303894017 685238360 /nfs/dbraw/zinc/23/83/60/685238360.db2.gz SHWCCNKOJJWQDC-INIZCTEOSA-N 1 3 318.465 2.071 20 30 DEEDHO N#CC[C@@H](O)CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000930139631 694098938 /nfs/dbraw/zinc/09/89/38/694098938.db2.gz WTOJKCKZGHHMAR-GOSISDBHSA-N 1 3 313.445 2.249 20 30 DEEDHO N#CC[C@@H](O)CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000930139631 694098941 /nfs/dbraw/zinc/09/89/41/694098941.db2.gz WTOJKCKZGHHMAR-GOSISDBHSA-N 1 3 313.445 2.249 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001033470634 689513415 /nfs/dbraw/zinc/51/34/15/689513415.db2.gz BRKLBMWWDWXZBZ-SJORKVTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001033470634 689513418 /nfs/dbraw/zinc/51/34/18/689513418.db2.gz BRKLBMWWDWXZBZ-SJORKVTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001034216427 689766373 /nfs/dbraw/zinc/76/63/73/689766373.db2.gz GQJCIYTWUIQPCT-YESZJQIVSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001034216427 689766374 /nfs/dbraw/zinc/76/63/74/689766374.db2.gz GQJCIYTWUIQPCT-YESZJQIVSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000876724088 689916287 /nfs/dbraw/zinc/91/62/87/689916287.db2.gz NKRLUFJWSAFPDE-HNNXBMFYSA-N 1 3 315.889 2.427 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000876724088 689916288 /nfs/dbraw/zinc/91/62/88/689916288.db2.gz NKRLUFJWSAFPDE-HNNXBMFYSA-N 1 3 315.889 2.427 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000876725805 689917072 /nfs/dbraw/zinc/91/70/72/689917072.db2.gz XXGOSJXVBXROOE-GXTWGEPZSA-N 1 3 301.862 2.085 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000876725805 689917075 /nfs/dbraw/zinc/91/70/75/689917075.db2.gz XXGOSJXVBXROOE-GXTWGEPZSA-N 1 3 301.862 2.085 20 30 DEEDHO C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001034800317 689950933 /nfs/dbraw/zinc/95/09/33/689950933.db2.gz YKGIXTNUCCZIEL-IYARVYRRSA-N 1 3 313.445 2.012 20 30 DEEDHO C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)N(C)C)CC2 ZINC001035229467 690066680 /nfs/dbraw/zinc/06/66/80/690066680.db2.gz MTKPGDOHDKCULG-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)N(C)C)CC2 ZINC001035229467 690066681 /nfs/dbraw/zinc/06/66/81/690066681.db2.gz MTKPGDOHDKCULG-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCCN1CC)CC2 ZINC001035858271 690194726 /nfs/dbraw/zinc/19/47/26/690194726.db2.gz RKWIHJVEOAJCGE-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC001036300195 690315066 /nfs/dbraw/zinc/31/50/66/690315066.db2.gz AFFDDOWIKLDUMA-MAUKXSAKSA-N 1 3 315.461 2.374 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1CC ZINC001037863351 690626515 /nfs/dbraw/zinc/62/65/15/690626515.db2.gz XUHHGXADARLEHO-WBVHZDCISA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039239003 691064492 /nfs/dbraw/zinc/06/44/92/691064492.db2.gz PXOQPKQYGPHWAN-RDJZCZTQSA-N 1 3 316.449 2.231 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039239003 691064494 /nfs/dbraw/zinc/06/44/94/691064494.db2.gz PXOQPKQYGPHWAN-RDJZCZTQSA-N 1 3 316.449 2.231 20 30 DEEDHO C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001039388126 691095604 /nfs/dbraw/zinc/09/56/04/691095604.db2.gz BNJNTCHLBNUCGO-BBWFWOEESA-N 1 3 305.466 2.112 20 30 DEEDHO C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001039388126 691095606 /nfs/dbraw/zinc/09/56/06/691095606.db2.gz BNJNTCHLBNUCGO-BBWFWOEESA-N 1 3 305.466 2.112 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)N(C)C ZINC001039431940 691104751 /nfs/dbraw/zinc/10/47/51/691104751.db2.gz ZZVLAMWUBZYZSS-IXDOHACOSA-N 1 3 307.482 2.214 20 30 DEEDHO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)N(C)C ZINC001039431940 691104753 /nfs/dbraw/zinc/10/47/53/691104753.db2.gz ZZVLAMWUBZYZSS-IXDOHACOSA-N 1 3 307.482 2.214 20 30 DEEDHO C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040241715 691219051 /nfs/dbraw/zinc/21/90/51/691219051.db2.gz RPLFHQKQFFKDFN-MJGOQNOKSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040241715 691219055 /nfs/dbraw/zinc/21/90/55/691219055.db2.gz RPLFHQKQFFKDFN-MJGOQNOKSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001041644105 691404866 /nfs/dbraw/zinc/40/48/66/691404866.db2.gz AZMTZZNESNNCAS-SJLPKXTDSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001041644105 691404868 /nfs/dbraw/zinc/40/48/68/691404868.db2.gz AZMTZZNESNNCAS-SJLPKXTDSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041757565 691425193 /nfs/dbraw/zinc/42/51/93/691425193.db2.gz YVXNMXFLUSNZPH-IBGZPJMESA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041757565 691425195 /nfs/dbraw/zinc/42/51/95/691425195.db2.gz YVXNMXFLUSNZPH-IBGZPJMESA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001044630269 691861369 /nfs/dbraw/zinc/86/13/69/691861369.db2.gz UMWRUKKNKJVJOT-ZIAGYGMSSA-N 1 3 313.873 2.192 20 30 DEEDHO C=CCN1CCC(C)(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001045458777 691984224 /nfs/dbraw/zinc/98/42/24/691984224.db2.gz ODQMRAFATQEDLV-INIZCTEOSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCN1CCC(C)(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001045458777 691984227 /nfs/dbraw/zinc/98/42/27/691984227.db2.gz ODQMRAFATQEDLV-INIZCTEOSA-N 1 3 307.482 2.121 20 30 DEEDHO C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001045967522 692064507 /nfs/dbraw/zinc/06/45/07/692064507.db2.gz WUIWMRGPVLUWPL-HKUYNNGSSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001045967522 692064508 /nfs/dbraw/zinc/06/45/08/692064508.db2.gz WUIWMRGPVLUWPL-HKUYNNGSSA-N 1 3 319.493 2.055 20 30 DEEDHO C=C(C)CN1CC[C@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046739597 692280132 /nfs/dbraw/zinc/28/01/32/692280132.db2.gz QKMHCMJYOWNNPV-SFHVURJKSA-N 1 3 307.482 2.264 20 30 DEEDHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(OCC#N)cc1 ZINC000925786165 693341383 /nfs/dbraw/zinc/34/13/83/693341383.db2.gz WKBRUHXHSYAODV-TZMCWYRMSA-N 1 3 309.360 2.484 20 30 DEEDHO N#Cc1ccc(NCCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000925893169 693360835 /nfs/dbraw/zinc/36/08/35/693360835.db2.gz MJTRROVSQIIUIS-BRWVUGGUSA-N 1 3 313.449 2.266 20 30 DEEDHO C#CCCN(C)CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C(C)C ZINC001332736108 1149886187 /nfs/dbraw/zinc/88/61/87/1149886187.db2.gz WCVRDHQBNOBKAK-ZWKOTPCHSA-N 1 3 319.493 2.195 20 30 DEEDHO C#CCCN(C)CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C(C)C ZINC001332736108 1149886189 /nfs/dbraw/zinc/88/61/89/1149886189.db2.gz WCVRDHQBNOBKAK-ZWKOTPCHSA-N 1 3 319.493 2.195 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001397591046 1160351618 /nfs/dbraw/zinc/35/16/18/1160351618.db2.gz GRXLFAKUWXWUFQ-ZNMIVQPWSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001397591046 1160351625 /nfs/dbraw/zinc/35/16/25/1160351625.db2.gz GRXLFAKUWXWUFQ-ZNMIVQPWSA-N 1 3 313.873 2.098 20 30 DEEDHO C=CCN1CCC2(CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001072882704 790286183 /nfs/dbraw/zinc/28/61/83/790286183.db2.gz LMNLJSALUCCCLQ-UHFFFAOYSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCN1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001072882704 790286186 /nfs/dbraw/zinc/28/61/86/790286186.db2.gz LMNLJSALUCCCLQ-UHFFFAOYSA-N 1 3 319.493 2.360 20 30 DEEDHO C#CCN1CCC([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001332960555 1149936884 /nfs/dbraw/zinc/93/68/84/1149936884.db2.gz VRVQMFVROGGKIS-IAGOWNOFSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCCC[N@H+]1CC=C(CNC(=O)CN(C)C2CCC2)CC1 ZINC001333354582 1150038787 /nfs/dbraw/zinc/03/87/87/1150038787.db2.gz NMJXSEPQPASCSE-UHFFFAOYSA-N 1 3 305.466 2.185 20 30 DEEDHO C=CCCC[N@@H+]1CC=C(CNC(=O)CN(C)C2CCC2)CC1 ZINC001333354582 1150038794 /nfs/dbraw/zinc/03/87/94/1150038794.db2.gz NMJXSEPQPASCSE-UHFFFAOYSA-N 1 3 305.466 2.185 20 30 DEEDHO C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001104292267 776950511 /nfs/dbraw/zinc/95/05/11/776950511.db2.gz RQIIKFUGXBEECW-KBAYOESNSA-N 1 3 321.509 2.367 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001075784792 779232077 /nfs/dbraw/zinc/23/20/77/779232077.db2.gz HWDUNKVCUUPABZ-OKZBNKHCSA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001075784792 779232078 /nfs/dbraw/zinc/23/20/78/779232078.db2.gz HWDUNKVCUUPABZ-OKZBNKHCSA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107170 779705379 /nfs/dbraw/zinc/70/53/79/779705379.db2.gz KTWSACUIHOPMME-SJORKVTESA-N 1 3 319.493 2.075 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107170 779705383 /nfs/dbraw/zinc/70/53/83/779705383.db2.gz KTWSACUIHOPMME-SJORKVTESA-N 1 3 319.493 2.075 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@@H]2C1 ZINC001088212872 779776191 /nfs/dbraw/zinc/77/61/91/779776191.db2.gz XZSXFZHXRPQGOX-SQNIBIBYSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@@H]2C1 ZINC001088212872 779776193 /nfs/dbraw/zinc/77/61/93/779776193.db2.gz XZSXFZHXRPQGOX-SQNIBIBYSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001091026539 790838109 /nfs/dbraw/zinc/83/81/09/790838109.db2.gz PMUZJRBHZPVJQY-NRXISQOPSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001091026539 790838131 /nfs/dbraw/zinc/83/81/31/790838131.db2.gz PMUZJRBHZPVJQY-NRXISQOPSA-N 1 3 313.873 2.096 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)[C@H]1C ZINC001088769076 780968730 /nfs/dbraw/zinc/96/87/30/780968730.db2.gz QDVWDRZRNRRUND-HYVNUMGLSA-N 1 3 305.466 2.016 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)[C@H]1C ZINC001088769076 780968735 /nfs/dbraw/zinc/96/87/35/780968735.db2.gz QDVWDRZRNRRUND-HYVNUMGLSA-N 1 3 305.466 2.016 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001106910825 783420390 /nfs/dbraw/zinc/42/03/90/783420390.db2.gz QJDFHIRGFHKZPE-BRWVUGGUSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N1CCCCCC1 ZINC001085352426 783649200 /nfs/dbraw/zinc/64/92/00/783649200.db2.gz GVJGTBXWGVBBKA-BRWVUGGUSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001085778638 784067746 /nfs/dbraw/zinc/06/77/46/784067746.db2.gz CZSSHRHYKACQBA-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001085778638 784067747 /nfs/dbraw/zinc/06/77/47/784067747.db2.gz CZSSHRHYKACQBA-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001008751163 785294349 /nfs/dbraw/zinc/29/43/49/785294349.db2.gz ZARATFKEWRJPLH-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001008751163 785294357 /nfs/dbraw/zinc/29/43/57/785294357.db2.gz ZARATFKEWRJPLH-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)N(C)CC)C2 ZINC001108717766 785503533 /nfs/dbraw/zinc/50/35/33/785503533.db2.gz UPSGSERXDCWYNU-JYJNAYRXSA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001109417418 785861151 /nfs/dbraw/zinc/86/11/51/785861151.db2.gz BANNYYFKDSYNCH-NCOADZHNSA-N 1 3 305.466 2.158 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001109417418 785861161 /nfs/dbraw/zinc/86/11/61/785861161.db2.gz BANNYYFKDSYNCH-NCOADZHNSA-N 1 3 305.466 2.158 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)CC[C@@H]1C ZINC001133190250 788312755 /nfs/dbraw/zinc/31/27/55/788312755.db2.gz FSBRBODQIBTABX-DZGCQCFKSA-N 1 3 315.889 2.155 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134584785 788989120 /nfs/dbraw/zinc/98/91/20/788989120.db2.gz XAXFRIYBGFQREO-QWHCGFSZSA-N 1 3 301.862 2.096 20 30 DEEDHO C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001146584692 791310231 /nfs/dbraw/zinc/31/02/31/791310231.db2.gz UMHKARHWOLRVOH-CVEARBPZSA-N 1 3 315.461 2.258 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001086943349 791857586 /nfs/dbraw/zinc/85/75/86/791857586.db2.gz RQOHASGZKTXOED-CVEARBPZSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001099310552 792166938 /nfs/dbraw/zinc/16/69/38/792166938.db2.gz PHHSYYMUYFACPU-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001099310552 792166941 /nfs/dbraw/zinc/16/69/41/792166941.db2.gz PHHSYYMUYFACPU-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(C)C(C)C)C1 ZINC001099553709 792240709 /nfs/dbraw/zinc/24/07/09/792240709.db2.gz VRAPZZXNQCDTMT-XSLAGTTESA-N 1 3 319.493 2.072 20 30 DEEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(C)C(C)C)C1 ZINC001099553709 792240720 /nfs/dbraw/zinc/24/07/20/792240720.db2.gz VRAPZZXNQCDTMT-XSLAGTTESA-N 1 3 319.493 2.072 20 30 DEEDHO C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001171501257 793114811 /nfs/dbraw/zinc/11/48/11/793114811.db2.gz QRWFCKKGGGACSG-ZIAGYGMSSA-N 1 3 303.878 2.344 20 30 DEEDHO C#CC[NH2+]C1(CNC(=O)[C@H](C)N2CCCCCC2)CCCCC1 ZINC001115759993 794910552 /nfs/dbraw/zinc/91/05/52/794910552.db2.gz IEHZJHAXZFCXJL-KRWDZBQOSA-N 1 3 319.493 2.293 20 30 DEEDHO C=CCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001203259358 795072092 /nfs/dbraw/zinc/07/20/92/795072092.db2.gz WMCVBRYXRUPHIA-HOTGVXAUSA-N 1 3 319.493 2.454 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001184577887 796087483 /nfs/dbraw/zinc/08/74/83/796087483.db2.gz QAODRMKOCOXLMI-JKSUJKDBSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CC[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001185170486 796201908 /nfs/dbraw/zinc/20/19/08/796201908.db2.gz PWIMLBFHQFSJDS-HZPDHXFCSA-N 1 3 309.498 2.225 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001185762142 796311781 /nfs/dbraw/zinc/31/17/81/796311781.db2.gz MRQCAMZHKVDQQE-SJORKVTESA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001187857457 796590129 /nfs/dbraw/zinc/59/01/29/796590129.db2.gz MWCWCECSOOFPKF-OKZBNKHCSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001187857457 796590133 /nfs/dbraw/zinc/59/01/33/796590133.db2.gz MWCWCECSOOFPKF-OKZBNKHCSA-N 1 3 319.493 2.358 20 30 DEEDHO C#CCC[N@H+]1CC=C(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001161219723 796693613 /nfs/dbraw/zinc/69/36/13/796693613.db2.gz MRUFKSLJHZVHNP-UHFFFAOYSA-N 1 3 319.493 2.126 20 30 DEEDHO C#CCC[N@@H+]1CC=C(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001161219723 796693617 /nfs/dbraw/zinc/69/36/17/796693617.db2.gz MRUFKSLJHZVHNP-UHFFFAOYSA-N 1 3 319.493 2.126 20 30 DEEDHO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203792343 797708054 /nfs/dbraw/zinc/70/80/54/797708054.db2.gz OSSASHFPWMLTIL-JKSUJKDBSA-N 1 3 307.482 2.310 20 30 DEEDHO N#Cc1ccc2ccnc(N3CCC([N@@H+]4CC[C@H](N)C4)CC3)c2c1 ZINC001158260243 798368180 /nfs/dbraw/zinc/36/81/80/798368180.db2.gz ZFUIJPWASFVFOU-INIZCTEOSA-N 1 3 321.428 2.108 20 30 DEEDHO N#Cc1ccc2ccnc(N3CCC([N@H+]4CC[C@H](N)C4)CC3)c2c1 ZINC001158260243 798368184 /nfs/dbraw/zinc/36/81/84/798368184.db2.gz ZFUIJPWASFVFOU-INIZCTEOSA-N 1 3 321.428 2.108 20 30 DEEDHO C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159629101 798590752 /nfs/dbraw/zinc/59/07/52/798590752.db2.gz UGLZBOCELQVXGJ-QGZVFWFLSA-N 1 3 305.466 2.185 20 30 DEEDHO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159629101 798590753 /nfs/dbraw/zinc/59/07/53/798590753.db2.gz UGLZBOCELQVXGJ-QGZVFWFLSA-N 1 3 305.466 2.185 20 30 DEEDHO C=CCN1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001160132007 798652327 /nfs/dbraw/zinc/65/23/27/798652327.db2.gz ZPIDZBLBSMCROC-ROUUACIJSA-N 1 3 317.477 2.185 20 30 DEEDHO C=CCN1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001160132007 798652330 /nfs/dbraw/zinc/65/23/30/798652330.db2.gz ZPIDZBLBSMCROC-ROUUACIJSA-N 1 3 317.477 2.185 20 30 DEEDHO C=C(C)C[N@H+]1CC=C(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001161205081 798809358 /nfs/dbraw/zinc/80/93/58/798809358.db2.gz CDLGKNVSZHSSQJ-MRXNPFEDSA-N 1 3 305.466 2.185 20 30 DEEDHO C=C(C)C[N@@H+]1CC=C(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001161205081 798809362 /nfs/dbraw/zinc/80/93/62/798809362.db2.gz CDLGKNVSZHSSQJ-MRXNPFEDSA-N 1 3 305.466 2.185 20 30 DEEDHO C=CCCC[N@H+]1CC=C(CCNC(=O)CN(CC)CC)CC1 ZINC001161504320 798872711 /nfs/dbraw/zinc/87/27/11/798872711.db2.gz HOVVBCDJTAELGL-UHFFFAOYSA-N 1 3 307.482 2.433 20 30 DEEDHO C=CCCC[N@@H+]1CC=C(CCNC(=O)CN(CC)CC)CC1 ZINC001161504320 798872716 /nfs/dbraw/zinc/87/27/16/798872716.db2.gz HOVVBCDJTAELGL-UHFFFAOYSA-N 1 3 307.482 2.433 20 30 DEEDHO C=CCN1CC=C(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161699552 798915341 /nfs/dbraw/zinc/91/53/41/798915341.db2.gz UGNIEHAAOGOFFJ-MSOLQXFVSA-N 1 3 319.493 2.431 20 30 DEEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001110736597 798998709 /nfs/dbraw/zinc/99/87/09/798998709.db2.gz DRXGLQONLLHDIE-OAGGEKHMSA-N 1 3 307.482 2.404 20 30 DEEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001110736597 798998713 /nfs/dbraw/zinc/99/87/13/798998713.db2.gz DRXGLQONLLHDIE-OAGGEKHMSA-N 1 3 307.482 2.404 20 30 DEEDHO C=CCCC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001165485569 799737055 /nfs/dbraw/zinc/73/70/55/799737055.db2.gz ZCDZAWWDXIHKRO-INIZCTEOSA-N 1 3 307.482 2.169 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203792092 800123304 /nfs/dbraw/zinc/12/33/04/800123304.db2.gz NGVYTOMOQOPEDM-UONOGXRCSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(Cl)C[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001206275610 800501743 /nfs/dbraw/zinc/50/17/43/800501743.db2.gz WWPVSGPMMFDDGB-CQSZACIVSA-N 1 3 313.873 2.051 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001209950266 801312214 /nfs/dbraw/zinc/31/22/14/801312214.db2.gz DMKZEYRUMIWQDB-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001211256384 801537922 /nfs/dbraw/zinc/53/79/22/801537922.db2.gz FDWKTPCVNBZRDD-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](F)CN(CC)CC ZINC001234642790 802437891 /nfs/dbraw/zinc/43/78/91/802437891.db2.gz KWWOPERXFYTIKG-HOTGVXAUSA-N 1 3 313.461 2.165 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](F)CN(CC)CC ZINC001234642790 802437897 /nfs/dbraw/zinc/43/78/97/802437897.db2.gz KWWOPERXFYTIKG-HOTGVXAUSA-N 1 3 313.461 2.165 20 30 DEEDHO C=C(C)C[NH2+][C@H](C)CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001331644927 1149574285 /nfs/dbraw/zinc/57/42/85/1149574285.db2.gz RTTKFFDLAGOPEO-OAHLLOKOSA-N 1 3 303.450 2.374 20 30 DEEDHO C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CCCC1 ZINC001500088062 1058483858 /nfs/dbraw/zinc/48/38/58/1058483858.db2.gz IPLQPURUOKYUDC-SJORKVTESA-N 1 3 307.482 2.310 20 30 DEEDHO C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)N(CC)CC ZINC001501399193 1059489561 /nfs/dbraw/zinc/48/95/61/1059489561.db2.gz CMWUYMISPXBJMP-RCCFBDPRSA-N 1 3 319.493 2.195 20 30 DEEDHO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)N(CC)CC ZINC001501399193 1059489569 /nfs/dbraw/zinc/48/95/69/1059489569.db2.gz CMWUYMISPXBJMP-RCCFBDPRSA-N 1 3 319.493 2.195 20 30 DEEDHO C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001505445489 1060608902 /nfs/dbraw/zinc/60/89/02/1060608902.db2.gz WGZZRAHXJCIQPT-DLBZAZTESA-N 1 3 309.498 2.462 20 30 DEEDHO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001505445489 1060608912 /nfs/dbraw/zinc/60/89/12/1060608912.db2.gz WGZZRAHXJCIQPT-DLBZAZTESA-N 1 3 309.498 2.462 20 30 DEEDHO C=CCC[NH2+]CC1CC(NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001505497524 1060659013 /nfs/dbraw/zinc/65/90/13/1060659013.db2.gz IQQYMXJEOCHBDM-UHFFFAOYSA-N 1 3 307.482 2.311 20 30 DEEDHO C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001505836691 1061020570 /nfs/dbraw/zinc/02/05/70/1061020570.db2.gz IBYNYDUUJHVLQC-KRWDZBQOSA-N 1 3 321.509 2.347 20 30 DEEDHO CC#CC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C(C)(C)C ZINC001507991551 1063490613 /nfs/dbraw/zinc/49/06/13/1063490613.db2.gz OSAYGQSTSODUOC-OAHLLOKOSA-N 1 3 307.482 2.005 20 30 DEEDHO C=CCN(CCNC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001493394167 1063765996 /nfs/dbraw/zinc/76/59/96/1063765996.db2.gz RGTKRHHIYCFVQX-UHFFFAOYSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001494054935 1064106340 /nfs/dbraw/zinc/10/63/40/1064106340.db2.gz LRFMSJCJNWFVSE-DLBZAZTESA-N 1 3 307.482 2.123 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001494054935 1064106341 /nfs/dbraw/zinc/10/63/41/1064106341.db2.gz LRFMSJCJNWFVSE-DLBZAZTESA-N 1 3 307.482 2.123 20 30 DEEDHO C=C(C)CN(CCNC(=O)C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001567452322 1064203685 /nfs/dbraw/zinc/20/36/85/1064203685.db2.gz PMGPKFVNKSZZSO-UHFFFAOYSA-N 1 3 319.493 2.265 20 30 DEEDHO C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001567731250 1064384069 /nfs/dbraw/zinc/38/40/69/1064384069.db2.gz KNQMKULRSHEMKV-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001567731250 1064384079 /nfs/dbraw/zinc/38/40/79/1064384079.db2.gz KNQMKULRSHEMKV-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C#CCCN1CC[C@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001494840016 1064501643 /nfs/dbraw/zinc/50/16/43/1064501643.db2.gz QHBCSZPHPAIABH-SFHVURJKSA-N 1 3 319.493 2.197 20 30 DEEDHO C#CCCN1CC[C@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001494840016 1064501656 /nfs/dbraw/zinc/50/16/56/1064501656.db2.gz QHBCSZPHPAIABH-SFHVURJKSA-N 1 3 319.493 2.197 20 30 DEEDHO C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001568067561 1064629470 /nfs/dbraw/zinc/62/94/70/1064629470.db2.gz DRNLHLGKEZOLPE-IAGOWNOFSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001495437942 1064903908 /nfs/dbraw/zinc/90/39/08/1064903908.db2.gz OPHHFAAKDVORPD-KRWDZBQOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(Cl)CN[C@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C(C)C ZINC001496563965 1065563977 /nfs/dbraw/zinc/56/39/77/1065563977.db2.gz AFUQVSIEKRTOTQ-HUUCEWRRSA-N 1 3 315.889 2.344 20 30 DEEDHO C=C(Cl)CN[C@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)C(C)C ZINC001496563965 1065563981 /nfs/dbraw/zinc/56/39/81/1065563981.db2.gz AFUQVSIEKRTOTQ-HUUCEWRRSA-N 1 3 315.889 2.344 20 30 DEEDHO C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001569864478 1065775438 /nfs/dbraw/zinc/77/54/38/1065775438.db2.gz YUAAAIDTXSTVNS-ULQDDVLXSA-N 1 3 309.498 2.271 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C[C@H]1CC ZINC001498904547 1066949184 /nfs/dbraw/zinc/94/91/84/1066949184.db2.gz VJVLJVZDXKCXID-HUUCEWRRSA-N 1 3 315.889 2.297 20 30 DEEDHO N#Cc1ccc(CN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC001580066760 1067488164 /nfs/dbraw/zinc/48/81/64/1067488164.db2.gz SOFXIFMWIVNEGF-RTBURBONSA-N 1 3 311.429 2.291 20 30 DEEDHO C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC)N(CC)CC)CCC[C@@H]12 ZINC001571503705 1068363115 /nfs/dbraw/zinc/36/31/15/1068363115.db2.gz UUMCILLNHIJJLV-YQVWRLOYSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H](CC)N(CC)CC)CCC[C@@H]12 ZINC001571503705 1068363123 /nfs/dbraw/zinc/36/31/23/1068363123.db2.gz UUMCILLNHIJJLV-YQVWRLOYSA-N 1 3 319.493 2.243 20 30 DEEDHO C=CCCC[NH2+]CC[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001272457465 1078890971 /nfs/dbraw/zinc/89/09/71/1078890971.db2.gz QKDGRRMNOJICRK-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCN1CCC(C(=O)NCCC[N@H+](CC(=C)C)C(C)C)CC1 ZINC001267512126 1078941781 /nfs/dbraw/zinc/94/17/81/1078941781.db2.gz BABOXQBAOYLNND-UHFFFAOYSA-N 1 3 319.493 2.124 20 30 DEEDHO C#CCN1CCC(C(=O)NCCC[N@@H+](CC(=C)C)C(C)C)CC1 ZINC001267512126 1078941786 /nfs/dbraw/zinc/94/17/86/1078941786.db2.gz BABOXQBAOYLNND-UHFFFAOYSA-N 1 3 319.493 2.124 20 30 DEEDHO C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001267603679 1079168358 /nfs/dbraw/zinc/16/83/58/1079168358.db2.gz WQMRWYNSIDNKQU-QGZVFWFLSA-N 1 3 309.498 2.319 20 30 DEEDHO C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001267603679 1079168362 /nfs/dbraw/zinc/16/83/62/1079168362.db2.gz WQMRWYNSIDNKQU-QGZVFWFLSA-N 1 3 309.498 2.319 20 30 DEEDHO C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001483935514 1079195635 /nfs/dbraw/zinc/19/56/35/1079195635.db2.gz XNBBXHJJKYLAGQ-HOTGVXAUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1CC ZINC001483959647 1079204101 /nfs/dbraw/zinc/20/41/01/1079204101.db2.gz ZTTZSJIJTAGIOV-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001565873908 1075201910 /nfs/dbraw/zinc/20/19/10/1075201910.db2.gz OAWHDOYSSQUYHG-ULQDDVLXSA-N 1 3 307.482 2.311 20 30 DEEDHO CC#CCN(CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001566601058 1075294467 /nfs/dbraw/zinc/29/44/67/1075294467.db2.gz VIFSBCXYYOFHFJ-WMZOPIPTSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)C[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001566709024 1075323159 /nfs/dbraw/zinc/32/31/59/1075323159.db2.gz ONVVCSDVYFVAOQ-INIZCTEOSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001566739833 1075330758 /nfs/dbraw/zinc/33/07/58/1075330758.db2.gz KZMFTDLURQJIEL-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001566739833 1075330765 /nfs/dbraw/zinc/33/07/65/1075330765.db2.gz KZMFTDLURQJIEL-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001566854947 1075363026 /nfs/dbraw/zinc/36/30/26/1075363026.db2.gz QZZALGPULDWPPX-IXDOHACOSA-N 1 3 307.482 2.452 20 30 DEEDHO C=CCN(C)Cc1ccccc1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001272681806 1079539079 /nfs/dbraw/zinc/53/90/79/1079539079.db2.gz BVVCPSCFMREDCE-MRXNPFEDSA-N 1 3 315.461 2.262 20 30 DEEDHO C=CCN(C)Cc1ccccc1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001272681806 1079539090 /nfs/dbraw/zinc/53/90/90/1079539090.db2.gz BVVCPSCFMREDCE-MRXNPFEDSA-N 1 3 315.461 2.262 20 30 DEEDHO C#CCCN1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001481401290 1079787347 /nfs/dbraw/zinc/78/73/47/1079787347.db2.gz VRSIGQZNQQQURG-OKZBNKHCSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCCN1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001481401290 1079787354 /nfs/dbraw/zinc/78/73/54/1079787354.db2.gz VRSIGQZNQQQURG-OKZBNKHCSA-N 1 3 319.493 2.053 20 30 DEEDHO C=C(C)CN1CC[C@H](N(CCC)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001481409833 1079798581 /nfs/dbraw/zinc/79/85/81/1079798581.db2.gz ULFDLQHBIHWGEM-IRXDYDNUSA-N 1 3 307.482 2.217 20 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/nfs/dbraw/zinc/52/91/68/1080529168.db2.gz GSIIYVFPFPHBRR-QGZVFWFLSA-N 1 3 307.482 2.123 20 30 DEEDHO C=CCC[N@H+](CC)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001663423474 1080745578 /nfs/dbraw/zinc/74/55/78/1080745578.db2.gz TWTTWOIBKOVEFO-KRWDZBQOSA-N 1 3 313.461 2.213 20 30 DEEDHO C=CCC[N@@H+](CC)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001663423474 1080745585 /nfs/dbraw/zinc/74/55/85/1080745585.db2.gz TWTTWOIBKOVEFO-KRWDZBQOSA-N 1 3 313.461 2.213 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001663548654 1080771739 /nfs/dbraw/zinc/77/17/39/1080771739.db2.gz UYESRBSPXGVNSO-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001663548654 1080771744 /nfs/dbraw/zinc/77/17/44/1080771744.db2.gz UYESRBSPXGVNSO-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[C@H](C)[NH+]1CC(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001665317860 1081012444 /nfs/dbraw/zinc/01/24/44/1081012444.db2.gz ZAWDTBIUEVRWSP-HNNXBMFYSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001269699789 1081337798 /nfs/dbraw/zinc/33/77/98/1081337798.db2.gz JNEMEWFDWMHSNG-GOSISDBHSA-N 1 3 307.482 2.219 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001269699789 1081337803 /nfs/dbraw/zinc/33/78/03/1081337803.db2.gz JNEMEWFDWMHSNG-GOSISDBHSA-N 1 3 307.482 2.219 20 30 DEEDHO C#CC[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001269731374 1081349181 /nfs/dbraw/zinc/34/91/81/1081349181.db2.gz ZINJIKUCMBDCLJ-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CC[NH2+][C@H]1CCN(C(=O)CN(C)CCCCCC)[C@H](C)C1 ZINC001269971354 1081413059 /nfs/dbraw/zinc/41/30/59/1081413059.db2.gz GNQOZNMPLDVGEL-MSOLQXFVSA-N 1 3 321.509 2.491 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001671748526 1081536634 /nfs/dbraw/zinc/53/66/34/1081536634.db2.gz VTMQOKMEAOGMEL-FUHWJXTLSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](CC)N(C)C ZINC001674429721 1081869944 /nfs/dbraw/zinc/86/99/44/1081869944.db2.gz TYRKAKMNIASUES-FGTMMUONSA-N 1 3 315.461 2.275 20 30 DEEDHO C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001271541764 1082077333 /nfs/dbraw/zinc/07/73/33/1082077333.db2.gz YVGPXEIRWOZUBN-IAGOWNOFSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266807004 1082359533 /nfs/dbraw/zinc/35/95/33/1082359533.db2.gz BFFHJFMSZLMWKB-DLBZAZTESA-N 1 3 309.498 2.367 20 30 DEEDHO CC#CC[NH2+]C1CCC(NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001266914551 1082450592 /nfs/dbraw/zinc/45/05/92/1082450592.db2.gz PQZXSQNBJDOJDT-AOCRQIFASA-N 1 3 319.493 2.291 20 30 DEEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001277359871 1083926342 /nfs/dbraw/zinc/92/63/42/1083926342.db2.gz KKJNZUHCLDSEEJ-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)COc1ccccc1CN1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001236072618 1084602708 /nfs/dbraw/zinc/60/27/08/1084602708.db2.gz GUJWDKKXRJDVTE-SFHVURJKSA-N 1 3 315.461 2.249 20 30 DEEDHO C=C(C)COc1ccccc1CN1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001236072616 1084603276 /nfs/dbraw/zinc/60/32/76/1084603276.db2.gz GUJWDKKXRJDVTE-GOSISDBHSA-N 1 3 315.461 2.249 20 30 DEEDHO C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000964014954 1085146975 /nfs/dbraw/zinc/14/69/75/1085146975.db2.gz HAPZHUYHHDNARY-ABHNRTSZSA-N 1 3 319.493 2.242 20 30 DEEDHO C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCCN2CC)CC1 ZINC000964437230 1085227619 /nfs/dbraw/zinc/22/76/19/1085227619.db2.gz NVSAPWIKOUDJIF-JCYILVPMSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001486439604 1085322894 /nfs/dbraw/zinc/32/28/94/1085322894.db2.gz FQOBPUSRSDGQOW-NVXWUHKLSA-N 1 3 309.498 2.365 20 30 DEEDHO C=C(C)C[NH2+]C1CC2(CC(NC(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000965061228 1085510260 /nfs/dbraw/zinc/51/02/60/1085510260.db2.gz AUTADTYDEZGPHQ-JFPDKAJLSA-N 1 3 305.466 2.064 20 30 DEEDHO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001114832001 1088919845 /nfs/dbraw/zinc/91/98/45/1088919845.db2.gz JOLQFOAQZPRITJ-VXNCWWDNSA-N 1 3 319.493 2.121 20 30 DEEDHO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001114832001 1088919861 /nfs/dbraw/zinc/91/98/61/1088919861.db2.gz JOLQFOAQZPRITJ-VXNCWWDNSA-N 1 3 319.493 2.121 20 30 DEEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001275073056 1091541430 /nfs/dbraw/zinc/54/14/30/1091541430.db2.gz WKEMRTADUHPQHK-KZNAEPCWSA-N 1 3 315.461 2.130 20 30 DEEDHO C#CCN1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001273475818 1091869132 /nfs/dbraw/zinc/86/91/32/1091869132.db2.gz UAZPDXXMNADLQO-ZWKOTPCHSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CCC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829404 1091960180 /nfs/dbraw/zinc/96/01/80/1091960180.db2.gz MMVPTXHADPJNEK-ROUUACIJSA-N 1 3 319.493 2.197 20 30 DEEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001316666128 1140161248 /nfs/dbraw/zinc/16/12/48/1140161248.db2.gz JPRZRSSCCHHDNW-VNQPRFMTSA-N 1 3 318.465 2.490 20 30 DEEDHO CCCCCCCCCC[C@H](O)CN[C@@H]1CC[NH2+]C[C@@H]1CO ZINC001246001017 1140844251 /nfs/dbraw/zinc/84/42/51/1140844251.db2.gz GDTDTSCDMXCKJP-FGTMMUONSA-N 1 3 314.514 2.438 20 30 DEEDHO C=C[C@H](COC)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001320299863 1140845852 /nfs/dbraw/zinc/84/58/52/1140845852.db2.gz VGNUEBVXGUMYOJ-QGZVFWFLSA-N 1 3 304.434 2.452 20 30 DEEDHO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@@H]1CCN[C@H](C)C1)C2 ZINC001246719883 1141043894 /nfs/dbraw/zinc/04/38/94/1141043894.db2.gz HMXUCLXOFYRCTE-BRSBDYLESA-N 1 3 308.466 2.201 20 30 DEEDHO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@@H]1CCN[C@H](C)C1)C2 ZINC001246719883 1141043904 /nfs/dbraw/zinc/04/39/04/1141043904.db2.gz HMXUCLXOFYRCTE-BRSBDYLESA-N 1 3 308.466 2.201 20 30 DEEDHO C=CCOC[C@]12CCCO[C@@H]1CCN([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246719883 1141043917 /nfs/dbraw/zinc/04/39/17/1141043917.db2.gz HMXUCLXOFYRCTE-BRSBDYLESA-N 1 3 308.466 2.201 20 30 DEEDHO C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001278504804 1141779998 /nfs/dbraw/zinc/77/99/98/1141779998.db2.gz NSXOEEDAMIAZGW-KRWDZBQOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001264096512 1144463166 /nfs/dbraw/zinc/46/31/66/1144463166.db2.gz MKTBTMRGRJWUKW-KURKYZTESA-N 1 3 319.493 2.075 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001264096512 1144463182 /nfs/dbraw/zinc/46/31/82/1144463182.db2.gz MKTBTMRGRJWUKW-KURKYZTESA-N 1 3 319.493 2.075 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001264123043 1144475537 /nfs/dbraw/zinc/47/55/37/1144475537.db2.gz YKCGIALIVQHNJF-HNNXBMFYSA-N 1 3 304.438 2.279 20 30 DEEDHO C#CCC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)N2CCCC2)C1 ZINC001264679296 1144591178 /nfs/dbraw/zinc/59/11/78/1144591178.db2.gz BIAAAROMELNLRT-KRWDZBQOSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001266219130 1144815466 /nfs/dbraw/zinc/81/54/66/1144815466.db2.gz WEFHKVKMOPMVFZ-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001266219130 1144815467 /nfs/dbraw/zinc/81/54/67/1144815467.db2.gz WEFHKVKMOPMVFZ-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001491950469 1147015342 /nfs/dbraw/zinc/01/53/42/1147015342.db2.gz AOHLYSYOOPMDRZ-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001491950469 1147015345 /nfs/dbraw/zinc/01/53/45/1147015345.db2.gz AOHLYSYOOPMDRZ-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C#CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001316680194 1147300259 /nfs/dbraw/zinc/30/02/59/1147300259.db2.gz PTDXXNFXQNODTJ-FUHWJXTLSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001317173660 1147670717 /nfs/dbraw/zinc/67/07/17/1147670717.db2.gz PWGNMICSBSGMJY-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001317173660 1147670718 /nfs/dbraw/zinc/67/07/18/1147670718.db2.gz PWGNMICSBSGMJY-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO CCC[N@@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001325839794 1148006655 /nfs/dbraw/zinc/00/66/55/1148006655.db2.gz GHKKBSCUVTZPHB-INIZCTEOSA-N 1 3 314.433 2.208 20 30 DEEDHO CCC[N@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001325839794 1148006658 /nfs/dbraw/zinc/00/66/58/1148006658.db2.gz GHKKBSCUVTZPHB-INIZCTEOSA-N 1 3 314.433 2.208 20 30 DEEDHO C[NH+]1CCC(N2CCC(NC(=O)CCCCCC#N)CC2)CC1 ZINC000588331736 357407421 /nfs/dbraw/zinc/40/74/21/357407421.db2.gz SGIQOCAXTIJLTO-UHFFFAOYSA-N 1 3 320.481 2.135 20 30 DEEDHO CC(C)[C@@H](CNC(=O)[C@H](N)CCCCC#N)[NH+]1CCC(C)CC1 ZINC000594442034 358272469 /nfs/dbraw/zinc/27/24/69/358272469.db2.gz ZTHWIMQJUORUPT-IAGOWNOFSA-N 1 3 322.497 2.270 20 30 DEEDHO C=CCN1CCC(NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237600117 202298500 /nfs/dbraw/zinc/29/85/00/202298500.db2.gz JCVBSEBHOAEOMS-RHSMWYFYSA-N 1 3 301.434 2.089 20 30 DEEDHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000458238529 248222799 /nfs/dbraw/zinc/22/27/99/248222799.db2.gz ZYOQZFBKKZQVCQ-ZWKOTPCHSA-N 1 3 324.428 2.089 20 30 DEEDHO C[N@H+]1CCC[C@@H](CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000458238529 248222804 /nfs/dbraw/zinc/22/28/04/248222804.db2.gz ZYOQZFBKKZQVCQ-ZWKOTPCHSA-N 1 3 324.428 2.089 20 30 DEEDHO C[N@@H+]1CCC[C@H](CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000458238526 248222830 /nfs/dbraw/zinc/22/28/30/248222830.db2.gz ZYOQZFBKKZQVCQ-MSOLQXFVSA-N 1 3 324.428 2.089 20 30 DEEDHO C[N@H+]1CCC[C@H](CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000458238526 248222833 /nfs/dbraw/zinc/22/28/33/248222833.db2.gz ZYOQZFBKKZQVCQ-MSOLQXFVSA-N 1 3 324.428 2.089 20 30 DEEDHO C=C(C)CN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120238250 401983467 /nfs/dbraw/zinc/98/34/67/401983467.db2.gz AUXSQGGXYOKVJN-UHFFFAOYSA-N 1 3 307.482 2.267 20 30 DEEDHO C#CCOc1ccccc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000268419804 403081573 /nfs/dbraw/zinc/08/15/73/403081573.db2.gz LGTGGGPBGHXAFB-UHFFFAOYSA-N 1 3 316.445 2.024 20 30 DEEDHO CCN(CC)[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)c1ccsc1 ZINC000424126947 405015144 /nfs/dbraw/zinc/01/51/44/405015144.db2.gz CIVQDZWMSRDSFM-CABCVRRESA-N 1 3 322.478 2.268 20 30 DEEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN[C@H](C)[C@H]1C)C(C)C ZINC000417064455 405024159 /nfs/dbraw/zinc/02/41/59/405024159.db2.gz OQKYXVSSNJTZSA-BRWVUGGUSA-N 1 3 322.497 2.077 20 30 DEEDHO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@@H]1CCCN1 ZINC000568499893 292344835 /nfs/dbraw/zinc/34/48/35/292344835.db2.gz VBUIEFZDFHHHGG-MFNRNEDNSA-N 1 3 314.433 2.373 20 30 DEEDHO C=CC(C)(C)CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000458988998 405680121 /nfs/dbraw/zinc/68/01/21/405680121.db2.gz OTJVMBQIJGIKSD-INIZCTEOSA-N 1 3 324.513 2.256 20 30 DEEDHO C=CC(C)(C)CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000458988998 405680125 /nfs/dbraw/zinc/68/01/25/405680125.db2.gz OTJVMBQIJGIKSD-INIZCTEOSA-N 1 3 324.513 2.256 20 30 DEEDHO C=CCN1CCC(NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000423371235 405780352 /nfs/dbraw/zinc/78/03/52/405780352.db2.gz FFORZRWCQWZZNV-QGZVFWFLSA-N 1 3 315.461 2.479 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCC2CC[NH+](CC)CC2)CC1 ZINC000567131915 406094243 /nfs/dbraw/zinc/09/42/43/406094243.db2.gz AFLGIICMDFWUBQ-UHFFFAOYSA-N 1 3 322.497 2.058 20 30 DEEDHO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C1 ZINC000571624051 406544480 /nfs/dbraw/zinc/54/44/80/406544480.db2.gz HUQJAXXXKZYOSX-MAUKXSAKSA-N 1 3 313.445 2.425 20 30 DEEDHO C[C@@H](N)C[C@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000423055212 230332774 /nfs/dbraw/zinc/33/27/74/230332774.db2.gz CXDYJBDBHBHQMD-SQHUISNBSA-N 1 3 302.422 2.359 20 30 DEEDHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422982180 274496371 /nfs/dbraw/zinc/49/63/71/274496371.db2.gz VVZNVTMFEHMFDD-GZBFAFLISA-N 1 3 304.413 2.382 20 30 DEEDHO CC1C(NNc2cccc[nH+]2)=CC(=O)N1C(=O)OC(C)(C)C ZINC000496986266 340017562 /nfs/dbraw/zinc/01/75/62/340017562.db2.gz ZAZPAPPLFILWQZ-JTQLQIEISA-N 1 3 304.350 2.405 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@]1(CC)CCC[NH2+]1)C(C)C ZINC000134571986 341218658 /nfs/dbraw/zinc/21/86/58/341218658.db2.gz RWAPECRBTGOPHO-FUHWJXTLSA-N 1 3 307.482 2.333 20 30 DEEDHO C=CCO[C@@H]1CCN(C/C=C\C[N@@H+]2CC[C@@H](OCC=C)C2)C1 ZINC001329878028 1149008224 /nfs/dbraw/zinc/00/82/24/1149008224.db2.gz KNDMTZLLEIEQSD-OSFIAYCASA-N 1 3 306.450 2.096 20 30 DEEDHO C=CCO[C@@H]1CCN(C/C=C\C[N@H+]2CC[C@@H](OCC=C)C2)C1 ZINC001329878028 1149008229 /nfs/dbraw/zinc/00/82/29/1149008229.db2.gz KNDMTZLLEIEQSD-OSFIAYCASA-N 1 3 306.450 2.096 20 30 DEEDHO C[NH+]=C(NCC1CCN(Cc2cccs2)CC1)NC1CC1 ZINC000264099598 526353429 /nfs/dbraw/zinc/35/34/29/526353429.db2.gz YMHNQHNNSYLSLY-UHFFFAOYSA-N 1 3 306.479 2.288 20 30 DEEDHO C[NH+]=C(NC[C@H](C)N1CCCC[C@H]1C)NC[C@@H]1CCCS1 ZINC000261978973 526375102 /nfs/dbraw/zinc/37/51/02/526375102.db2.gz OLIDEKCJAOKGRZ-ILXRZTDVSA-N 1 3 312.527 2.310 20 30 DEEDHO C=C(C)CNC(=[NH2+])NCC1CCN(Cc2cccs2)CC1 ZINC000264090030 526575120 /nfs/dbraw/zinc/57/51/20/526575120.db2.gz KSLBRODMLUNGRR-UHFFFAOYSA-N 1 3 306.479 2.441 20 30 DEEDHO C=CCOCC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000339013692 526770929 /nfs/dbraw/zinc/77/09/29/526770929.db2.gz ORMLETOCINRABK-IRXDYDNUSA-N 1 3 310.482 2.400 20 30 DEEDHO C#CCN(C)CCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000294869023 526828961 /nfs/dbraw/zinc/82/89/61/526828961.db2.gz CONRVJMEGXCPIX-ICSRJNTNSA-N 1 3 313.489 2.442 20 30 DEEDHO C#CCN1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001023696941 625392847 /nfs/dbraw/zinc/39/28/47/625392847.db2.gz YZJDZMUUZUVCHC-ZWKOTPCHSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCN1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023696941 625392849 /nfs/dbraw/zinc/39/28/49/625392849.db2.gz YZJDZMUUZUVCHC-ZWKOTPCHSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC000947310299 625403080 /nfs/dbraw/zinc/40/30/80/625403080.db2.gz OYXZLGWWMPOUMB-DLBZAZTESA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC000947310299 625403085 /nfs/dbraw/zinc/40/30/85/625403085.db2.gz OYXZLGWWMPOUMB-DLBZAZTESA-N 1 3 319.493 2.243 20 30 DEEDHO C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001026503430 625485999 /nfs/dbraw/zinc/48/59/99/625485999.db2.gz VAJFLWLZSIPFAN-JCYILVPMSA-N 1 3 307.482 2.454 20 30 DEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000970025904 623065889 /nfs/dbraw/zinc/06/58/89/623065889.db2.gz ALNHCBUOAMLDTR-NVXWUHKLSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000970025904 623065890 /nfs/dbraw/zinc/06/58/90/623065890.db2.gz ALNHCBUOAMLDTR-NVXWUHKLSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000970319079 623400803 /nfs/dbraw/zinc/40/08/03/623400803.db2.gz RBKLFILCNGYYEQ-JKSUJKDBSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000970319079 623400809 /nfs/dbraw/zinc/40/08/09/623400809.db2.gz RBKLFILCNGYYEQ-JKSUJKDBSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001022077335 624192874 /nfs/dbraw/zinc/19/28/74/624192874.db2.gz OUJBJPORRLDTGA-OKILXGFUSA-N 1 3 313.873 2.240 20 30 DEEDHO C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC000981091787 635305527 /nfs/dbraw/zinc/30/55/27/635305527.db2.gz QSKOFJBDIJSVPS-JKSUJKDBSA-N 1 3 307.482 2.454 20 30 DEEDHO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC000982011391 635809292 /nfs/dbraw/zinc/80/92/92/635809292.db2.gz AGKKTNPUTMRPGR-QGZVFWFLSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC000982011391 635809296 /nfs/dbraw/zinc/80/92/96/635809296.db2.gz AGKKTNPUTMRPGR-QGZVFWFLSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000982052382 635846128 /nfs/dbraw/zinc/84/61/28/635846128.db2.gz HUQDMZIEIHYADT-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCN1CCC(NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001003373511 635944319 /nfs/dbraw/zinc/94/43/19/635944319.db2.gz WWDJHDQEAFPRNP-UHFFFAOYSA-N 1 3 315.461 2.171 20 30 DEEDHO C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1CCCC ZINC001028251702 635960179 /nfs/dbraw/zinc/96/01/79/635960179.db2.gz JWIPVOAXDCOXAT-ROUUACIJSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1CCCC ZINC001028251702 635960182 /nfs/dbraw/zinc/96/01/82/635960182.db2.gz JWIPVOAXDCOXAT-ROUUACIJSA-N 1 3 319.493 2.245 20 30 DEEDHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1csc(C#N)c1)C2 ZINC000922384564 636151155 /nfs/dbraw/zinc/15/11/55/636151155.db2.gz DFXUSAMUWSPCJC-WCXIOVBPSA-N 1 3 319.474 2.189 20 30 DEEDHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1csc(C#N)c1)C2 ZINC000922384564 636151159 /nfs/dbraw/zinc/15/11/59/636151159.db2.gz DFXUSAMUWSPCJC-WCXIOVBPSA-N 1 3 319.474 2.189 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001005496099 636751643 /nfs/dbraw/zinc/75/16/43/636751643.db2.gz GGJWVQSASICJSR-INIZCTEOSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001005496099 636751650 /nfs/dbraw/zinc/75/16/50/636751650.db2.gz GGJWVQSASICJSR-INIZCTEOSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000907403125 644531999 /nfs/dbraw/zinc/53/19/99/644531999.db2.gz DOZCWQLGVKSFAQ-FUHWJXTLSA-N 1 3 315.461 2.131 20 30 DEEDHO C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]21 ZINC000992821434 647281771 /nfs/dbraw/zinc/28/17/71/647281771.db2.gz VJLQGDWTRGUZIM-GVDBMIGSSA-N 1 3 319.493 2.121 20 30 DEEDHO CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c1 ZINC000817919751 647382251 /nfs/dbraw/zinc/38/22/51/647382251.db2.gz VTVWNUUMPXKDBM-UNQWWWNPSA-N 1 3 317.433 2.209 20 30 DEEDHO CN(C)C[C@@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000179636265 648406304 /nfs/dbraw/zinc/40/63/04/648406304.db2.gz IEVNRYJDJQJNOE-KRWDZBQOSA-N 1 3 300.450 2.420 20 30 DEEDHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000179636265 648406306 /nfs/dbraw/zinc/40/63/06/648406306.db2.gz IEVNRYJDJQJNOE-KRWDZBQOSA-N 1 3 300.450 2.420 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC000939806965 648728539 /nfs/dbraw/zinc/72/85/39/648728539.db2.gz PYNUNANEASDIEN-CRAIPNDOSA-N 1 3 315.461 2.374 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000940798305 648948221 /nfs/dbraw/zinc/94/82/21/648948221.db2.gz GDGZXDPYKILBEQ-IRXDYDNUSA-N 1 3 321.509 2.367 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000940798305 648948223 /nfs/dbraw/zinc/94/82/23/648948223.db2.gz GDGZXDPYKILBEQ-IRXDYDNUSA-N 1 3 321.509 2.367 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCOc1ccccc1C ZINC000304750468 685258992 /nfs/dbraw/zinc/25/89/92/685258992.db2.gz ILVBQWVKCFBIPT-INIZCTEOSA-N 1 3 318.465 2.153 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCNc1cccc(F)c1 ZINC000305812755 685301745 /nfs/dbraw/zinc/30/17/45/685301745.db2.gz KILPUTABXWZVHW-INIZCTEOSA-N 1 3 321.444 2.016 20 30 DEEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054144971 693862120 /nfs/dbraw/zinc/86/21/20/693862120.db2.gz GBIDCERMYAKERU-PKOBYXMFSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054144971 693862125 /nfs/dbraw/zinc/86/21/25/693862125.db2.gz GBIDCERMYAKERU-PKOBYXMFSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054197882 693878994 /nfs/dbraw/zinc/87/89/94/693878994.db2.gz KVMVPRJCVKDBAY-IEBWSBKVSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054197882 693878997 /nfs/dbraw/zinc/87/89/97/693878997.db2.gz KVMVPRJCVKDBAY-IEBWSBKVSA-N 1 3 319.493 2.219 20 30 DEEDHO CCN(CC)[C@H](C[NH+]=C(N(C)C)N(C)C)Cc1ccccc1 ZINC000303901263 685239109 /nfs/dbraw/zinc/23/91/09/685239109.db2.gz SPCNHMISKOXROY-KRWDZBQOSA-N 1 3 304.482 2.419 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)c1ccc(F)cc1 ZINC000303984147 685242064 /nfs/dbraw/zinc/24/20/64/685242064.db2.gz RUMFOMAKWCAEDH-MRXNPFEDSA-N 1 3 320.456 2.492 20 30 DEEDHO C[C@H](c1ccc(C#N)cc1)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000866589460 687621326 /nfs/dbraw/zinc/62/13/26/687621326.db2.gz DEAZEBMMIIIJRT-MRXNPFEDSA-N 1 3 312.461 2.331 20 30 DEEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001018304036 688105542 /nfs/dbraw/zinc/10/55/42/688105542.db2.gz REVGNNMDXWXDHR-CALCHBBNSA-N 1 3 305.466 2.114 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033143815 689403303 /nfs/dbraw/zinc/40/33/03/689403303.db2.gz MJXALEGFYZKLRV-IAGOWNOFSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033143815 689403304 /nfs/dbraw/zinc/40/33/04/689403304.db2.gz MJXALEGFYZKLRV-IAGOWNOFSA-N 1 3 307.482 2.073 20 30 DEEDHO C#CCCN1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034285365 689795280 /nfs/dbraw/zinc/79/52/80/689795280.db2.gz CMRXWWSEAFSBLN-MSOLQXFVSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCCN1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034285365 689795282 /nfs/dbraw/zinc/79/52/82/689795282.db2.gz CMRXWWSEAFSBLN-MSOLQXFVSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000876773947 689933187 /nfs/dbraw/zinc/93/31/87/689933187.db2.gz ZGECCRFGUAJQGU-CVEARBPZSA-N 1 3 321.852 2.189 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000876773947 689933190 /nfs/dbraw/zinc/93/31/90/689933190.db2.gz ZGECCRFGUAJQGU-CVEARBPZSA-N 1 3 321.852 2.189 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000876773948 689933468 /nfs/dbraw/zinc/93/34/68/689933468.db2.gz ZGECCRFGUAJQGU-HOTGVXAUSA-N 1 3 321.852 2.189 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000876773948 689933470 /nfs/dbraw/zinc/93/34/70/689933470.db2.gz ZGECCRFGUAJQGU-HOTGVXAUSA-N 1 3 321.852 2.189 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000876876529 689961686 /nfs/dbraw/zinc/96/16/86/689961686.db2.gz QOMIVWJTMUYQEW-HNNXBMFYSA-N 1 3 315.889 2.427 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000876883922 689963550 /nfs/dbraw/zinc/96/35/50/689963550.db2.gz OBSARHRURLNHBL-KCXAZCMYSA-N 1 3 321.852 2.093 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000876883922 689963554 /nfs/dbraw/zinc/96/35/54/689963554.db2.gz OBSARHRURLNHBL-KCXAZCMYSA-N 1 3 321.852 2.093 20 30 DEEDHO C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035166136 690045790 /nfs/dbraw/zinc/04/57/90/690045790.db2.gz HZNQNGQNXWHVEI-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035166136 690045793 /nfs/dbraw/zinc/04/57/93/690045793.db2.gz HZNQNGQNXWHVEI-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2 ZINC001035222202 690064052 /nfs/dbraw/zinc/06/40/52/690064052.db2.gz AGJLBVAQROYFPN-QGZVFWFLSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2 ZINC001035222202 690064053 /nfs/dbraw/zinc/06/40/53/690064053.db2.gz AGJLBVAQROYFPN-QGZVFWFLSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039163561 691036873 /nfs/dbraw/zinc/03/68/73/691036873.db2.gz CPMQTBTVJZDCAG-WMZOPIPTSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039163561 691036876 /nfs/dbraw/zinc/03/68/76/691036876.db2.gz CPMQTBTVJZDCAG-WMZOPIPTSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001040250943 691221052 /nfs/dbraw/zinc/22/10/52/691221052.db2.gz UVFACTQTXHDQPI-PKOBYXMFSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001040250943 691221054 /nfs/dbraw/zinc/22/10/54/691221054.db2.gz UVFACTQTXHDQPI-PKOBYXMFSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040395471 691242276 /nfs/dbraw/zinc/24/22/76/691242276.db2.gz PYINEJARSARNSX-PKOBYXMFSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040395471 691242279 /nfs/dbraw/zinc/24/22/79/691242279.db2.gz PYINEJARSARNSX-PKOBYXMFSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001040400398 691243104 /nfs/dbraw/zinc/24/31/04/691243104.db2.gz UYDJJMLCOKSPOR-WMZOPIPTSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001040400398 691243107 /nfs/dbraw/zinc/24/31/07/691243107.db2.gz UYDJJMLCOKSPOR-WMZOPIPTSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001040400397 691243377 /nfs/dbraw/zinc/24/33/77/691243377.db2.gz UYDJJMLCOKSPOR-FUHWJXTLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001040400397 691243378 /nfs/dbraw/zinc/24/33/78/691243378.db2.gz UYDJJMLCOKSPOR-FUHWJXTLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001040746261 691284421 /nfs/dbraw/zinc/28/44/21/691284421.db2.gz XXNRRWOSXCOHAA-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001041679844 691409258 /nfs/dbraw/zinc/40/92/58/691409258.db2.gz OZZKDZZTXKGLFU-PKOBYXMFSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001041679844 691409260 /nfs/dbraw/zinc/40/92/60/691409260.db2.gz OZZKDZZTXKGLFU-PKOBYXMFSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCN1CCC(C)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001045478987 691987304 /nfs/dbraw/zinc/98/73/04/691987304.db2.gz LVDWCEFPEUPKOK-HOTGVXAUSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCN1CCC(C)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001045478987 691987307 /nfs/dbraw/zinc/98/73/07/691987307.db2.gz LVDWCEFPEUPKOK-HOTGVXAUSA-N 1 3 305.466 2.160 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045969399 692065737 /nfs/dbraw/zinc/06/57/37/692065737.db2.gz PRUJXCYCBCAGOU-SFHVURJKSA-N 1 3 316.449 2.233 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045969399 692065739 /nfs/dbraw/zinc/06/57/39/692065739.db2.gz PRUJXCYCBCAGOU-SFHVURJKSA-N 1 3 316.449 2.233 20 30 DEEDHO C=C(C)CN1CC[C@@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046761503 692290909 /nfs/dbraw/zinc/29/09/09/692290909.db2.gz WAESYIKGCUNWLE-LJQANCHMSA-N 1 3 319.493 2.265 20 30 DEEDHO C=CC[NH+]1CCC([C@H](C)NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001332990838 1149946762 /nfs/dbraw/zinc/94/67/62/1149946762.db2.gz CFGMWRJJVNXOEM-HNNXBMFYSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001397226803 1160065962 /nfs/dbraw/zinc/06/59/62/1160065962.db2.gz NJXSZMLJWWEIHP-OAHLLOKOSA-N 1 3 315.889 2.442 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CN(C)CCC ZINC001401833442 1162148555 /nfs/dbraw/zinc/14/85/55/1162148555.db2.gz WJTNAZFUSZFWMH-LSDHHAIUSA-N 1 3 315.889 2.345 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001402170964 1162273260 /nfs/dbraw/zinc/27/32/60/1162273260.db2.gz IWMBHQGJOXQYJI-GOEBONIOSA-N 1 3 315.889 2.153 20 30 DEEDHO C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001438771280 1180809065 /nfs/dbraw/zinc/80/90/65/1180809065.db2.gz PJJDFDWRATYUMZ-CABCVRRESA-N 1 3 315.889 2.296 20 30 DEEDHO C#CCC[N@H+]1CC[C@H](NC(=O)CN2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493218 783159706 /nfs/dbraw/zinc/15/97/06/783159706.db2.gz UVRFGJOUWAPGNC-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493218 783159708 /nfs/dbraw/zinc/15/97/08/783159708.db2.gz UVRFGJOUWAPGNC-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[C@H]1C ZINC000947617377 783190809 /nfs/dbraw/zinc/19/08/09/783190809.db2.gz XXMFUGICZJWSHM-HZPDHXFCSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[C@H]1C ZINC000947617377 783190812 /nfs/dbraw/zinc/19/08/12/783190812.db2.gz XXMFUGICZJWSHM-HZPDHXFCSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)[C@H]1CC ZINC001087671751 779406272 /nfs/dbraw/zinc/40/62/72/779406272.db2.gz OCYGMAAFQLGDCD-KSZLIROESA-N 1 3 319.493 2.406 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)[C@H]1CC ZINC001087671751 779406275 /nfs/dbraw/zinc/40/62/75/779406275.db2.gz OCYGMAAFQLGDCD-KSZLIROESA-N 1 3 319.493 2.406 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569061 780495801 /nfs/dbraw/zinc/49/58/01/780495801.db2.gz FWLOOVRNDJYPNG-NUJGCVRESA-N 1 3 319.493 2.406 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569061 780495802 /nfs/dbraw/zinc/49/58/02/780495802.db2.gz FWLOOVRNDJYPNG-NUJGCVRESA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103378890 781845201 /nfs/dbraw/zinc/84/52/01/781845201.db2.gz POOVXYCSDAFBMK-UKRRQHHQSA-N 1 3 315.889 2.155 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085593387 783860040 /nfs/dbraw/zinc/86/00/40/783860040.db2.gz IKWNVQZULFXLIG-SJORKVTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001085593387 783860048 /nfs/dbraw/zinc/86/00/48/783860048.db2.gz IKWNVQZULFXLIG-SJORKVTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCN1C(C)C ZINC001085593387 783860057 /nfs/dbraw/zinc/86/00/57/783860057.db2.gz IKWNVQZULFXLIG-SJORKVTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCN1C(C)C ZINC001085593387 783860060 /nfs/dbraw/zinc/86/00/60/783860060.db2.gz IKWNVQZULFXLIG-SJORKVTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC000968855817 784620649 /nfs/dbraw/zinc/62/06/49/784620649.db2.gz AQIYTSONVZAWCD-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC000968855817 784620655 /nfs/dbraw/zinc/62/06/55/784620655.db2.gz AQIYTSONVZAWCD-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC000968855783 784621077 /nfs/dbraw/zinc/62/10/77/784621077.db2.gz AHHZILIVDMBILG-ZWKOTPCHSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC000968855783 784621082 /nfs/dbraw/zinc/62/10/82/784621082.db2.gz AHHZILIVDMBILG-ZWKOTPCHSA-N 1 3 319.493 2.243 20 30 DEEDHO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC000968855813 784621528 /nfs/dbraw/zinc/62/15/28/784621528.db2.gz AQIYTSONVZAWCD-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC000968855813 784621535 /nfs/dbraw/zinc/62/15/35/784621535.db2.gz AQIYTSONVZAWCD-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001108703415 785494338 /nfs/dbraw/zinc/49/43/38/785494338.db2.gz PWNHCENIODUFHK-ULQDDVLXSA-N 1 3 319.493 2.406 20 30 DEEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCCN1CCC3)C2 ZINC001109485319 785897412 /nfs/dbraw/zinc/89/74/12/785897412.db2.gz VDVVYFONNBDLDY-IKGGRYGDSA-N 1 3 317.477 2.303 20 30 DEEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCCN1CCC3)C2 ZINC001109485319 785897420 /nfs/dbraw/zinc/89/74/20/785897420.db2.gz VDVVYFONNBDLDY-IKGGRYGDSA-N 1 3 317.477 2.303 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C ZINC001132888314 788219069 /nfs/dbraw/zinc/21/90/69/788219069.db2.gz MBXVWFVWZVYBMY-JKSUJKDBSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133345580 788376460 /nfs/dbraw/zinc/37/64/60/788376460.db2.gz DVXOUZGFKLHHFR-UKRRQHHQSA-N 1 3 315.889 2.153 20 30 DEEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133850959 788632787 /nfs/dbraw/zinc/63/27/87/788632787.db2.gz SHQOBLKFSASSKG-YOEHRIQHSA-N 1 3 313.461 2.259 20 30 DEEDHO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134370101 788900049 /nfs/dbraw/zinc/90/00/49/788900049.db2.gz XLCUVHBWPDTPNB-JKSUJKDBSA-N 1 3 307.482 2.147 20 30 DEEDHO C#CCCN1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001071957593 789987084 /nfs/dbraw/zinc/98/70/84/789987084.db2.gz KVFUHWHPLNNBJO-SJLPKXTDSA-N 1 3 319.493 2.099 20 30 DEEDHO C=CCN1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001147992814 791668431 /nfs/dbraw/zinc/66/84/31/791668431.db2.gz NVBPLWNGWTUFJS-UHFFFAOYSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CN(CC)CC)C2)C1 ZINC001148469064 791751411 /nfs/dbraw/zinc/75/14/11/791751411.db2.gz BDCHCLKTHVDFEA-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CN(CC)CC)C2)C1 ZINC001148469064 791751417 /nfs/dbraw/zinc/75/14/17/791751417.db2.gz BDCHCLKTHVDFEA-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001086928900 791859561 /nfs/dbraw/zinc/85/95/61/791859561.db2.gz RKWIXVFCUGLVDS-IAGOWNOFSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001098991460 792022363 /nfs/dbraw/zinc/02/23/63/792022363.db2.gz ZEOGCTPGBRTTHZ-LNLFQRSKSA-N 1 3 319.493 2.265 20 30 DEEDHO C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001098991460 792022374 /nfs/dbraw/zinc/02/23/74/792022374.db2.gz ZEOGCTPGBRTTHZ-LNLFQRSKSA-N 1 3 319.493 2.265 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110150661 792645083 /nfs/dbraw/zinc/64/50/83/792645083.db2.gz IULZNTWGGYUTAX-IKGGRYGDSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001103113598 793945570 /nfs/dbraw/zinc/94/55/70/793945570.db2.gz QIUOOGDVTOYXSD-ZACQAIPSSA-N 1 3 309.498 2.223 20 30 DEEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001103113598 793945575 /nfs/dbraw/zinc/94/55/75/793945575.db2.gz QIUOOGDVTOYXSD-ZACQAIPSSA-N 1 3 309.498 2.223 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@@H]2C)C1 ZINC001103433421 794090416 /nfs/dbraw/zinc/09/04/16/794090416.db2.gz FIMXSIOUVAVLHP-IXDOHACOSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@@H]2C)C1 ZINC001103433421 794090425 /nfs/dbraw/zinc/09/04/25/794090425.db2.gz FIMXSIOUVAVLHP-IXDOHACOSA-N 1 3 307.482 2.121 20 30 DEEDHO C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CN(C)C1CCC1 ZINC001177345229 794644303 /nfs/dbraw/zinc/64/43/03/794644303.db2.gz VOJUUEIUSSZBOU-UHFFFAOYSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001120470194 795467228 /nfs/dbraw/zinc/46/72/28/795467228.db2.gz PAYWHMNJAZKNNG-DLBZAZTESA-N 1 3 307.482 2.216 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001120470194 795467232 /nfs/dbraw/zinc/46/72/32/795467232.db2.gz PAYWHMNJAZKNNG-DLBZAZTESA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001181941844 795567189 /nfs/dbraw/zinc/56/71/89/795567189.db2.gz SCCJDSZXDAERQD-CRAIPNDOSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCCC[C@@H](N)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC001121988081 795712864 /nfs/dbraw/zinc/71/28/64/795712864.db2.gz HQBMPYGTHVGZTK-QGZVFWFLSA-N 1 3 303.450 2.438 20 30 DEEDHO C=CCCC[C@@H](N)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC001121988081 795712866 /nfs/dbraw/zinc/71/28/66/795712866.db2.gz HQBMPYGTHVGZTK-QGZVFWFLSA-N 1 3 303.450 2.438 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CN(CC)CC)C[C@H]1C ZINC001185348545 796236060 /nfs/dbraw/zinc/23/60/60/796236060.db2.gz QLQDOSZFONALPN-IAGOWNOFSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CCCCCC[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001185650055 796297939 /nfs/dbraw/zinc/29/79/39/796297939.db2.gz BDFWQHGUCIYQLE-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203029604 796516047 /nfs/dbraw/zinc/51/60/47/796516047.db2.gz UKWDSEGSPTVBLB-CABCVRRESA-N 1 3 305.466 2.064 20 30 DEEDHO C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194040428 797668781 /nfs/dbraw/zinc/66/87/81/797668781.db2.gz QYHYYARXHIGYBJ-QGZVFWFLSA-N 1 3 307.482 2.361 20 30 DEEDHO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194040428 797668785 /nfs/dbraw/zinc/66/87/85/797668785.db2.gz QYHYYARXHIGYBJ-QGZVFWFLSA-N 1 3 307.482 2.361 20 30 DEEDHO C=CCC[N@H+]1CC=C(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001160359896 798679531 /nfs/dbraw/zinc/67/95/31/798679531.db2.gz FKQRFXWMIUZYQY-UHFFFAOYSA-N 1 3 305.466 2.185 20 30 DEEDHO C=CCC[N@@H+]1CC=C(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001160359896 798679534 /nfs/dbraw/zinc/67/95/34/798679534.db2.gz FKQRFXWMIUZYQY-UHFFFAOYSA-N 1 3 305.466 2.185 20 30 DEEDHO CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)N(C)C ZINC001114409226 799093553 /nfs/dbraw/zinc/09/35/53/799093553.db2.gz IIPHFNDKJWTBSI-MLHJIOFPSA-N 1 3 321.509 2.343 20 30 DEEDHO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)N(C)C ZINC001114409226 799093560 /nfs/dbraw/zinc/09/35/60/799093560.db2.gz IIPHFNDKJWTBSI-MLHJIOFPSA-N 1 3 321.509 2.343 20 30 DEEDHO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001114443261 799113828 /nfs/dbraw/zinc/11/38/28/799113828.db2.gz YRUGHSFPNIGAGB-MLHJIOFPSA-N 1 3 321.509 2.365 20 30 DEEDHO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001114443261 799113830 /nfs/dbraw/zinc/11/38/30/799113830.db2.gz YRUGHSFPNIGAGB-MLHJIOFPSA-N 1 3 321.509 2.365 20 30 DEEDHO C=CCCC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001205461519 800360015 /nfs/dbraw/zinc/36/00/15/800360015.db2.gz LZCGGIRWQNUDAJ-QGZVFWFLSA-N 1 3 307.482 2.121 20 30 DEEDHO CSc1nc(CN2CCC[C@H](C[NH3+])[C@H](C)C2)ccc1C#N ZINC001206003822 800456857 /nfs/dbraw/zinc/45/68/57/800456857.db2.gz MWWXTVGBENIMJF-CHWSQXEVSA-N 1 3 304.463 2.482 20 30 DEEDHO C=CCC[NH2+]CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001206307537 800505998 /nfs/dbraw/zinc/50/59/98/800505998.db2.gz KWPJPGLDOBCOEB-UHFFFAOYSA-N 1 3 309.498 2.369 20 30 DEEDHO C=C(Cl)CN[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215558094 801877141 /nfs/dbraw/zinc/87/71/41/801877141.db2.gz KGKBJAFSEVTULN-TZMCWYRMSA-N 1 3 315.889 2.153 20 30 DEEDHO C=C(Cl)CN[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215558094 801877147 /nfs/dbraw/zinc/87/71/47/801877147.db2.gz KGKBJAFSEVTULN-TZMCWYRMSA-N 1 3 315.889 2.153 20 30 DEEDHO C=C(C)CC[NH+]1CCC(CNC(=O)CN2CCC[C@H]2C)CC1 ZINC001224535194 802879380 /nfs/dbraw/zinc/87/93/80/802879380.db2.gz DQYNOFZJUVDBKQ-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCC[NH+]1CCC(NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001227669052 803264339 /nfs/dbraw/zinc/26/43/39/803264339.db2.gz KHNYGSMKGMTRDB-QGZVFWFLSA-N 1 3 307.482 2.408 20 30 DEEDHO CC#CCN[C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001331529538 1149508890 /nfs/dbraw/zinc/50/88/90/1149508890.db2.gz KVEQPIJSIKJOAR-FUHWJXTLSA-N 1 3 319.493 2.243 20 30 DEEDHO CC#CCN[C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001331529538 1149508922 /nfs/dbraw/zinc/50/89/22/1149508922.db2.gz KVEQPIJSIKJOAR-FUHWJXTLSA-N 1 3 319.493 2.243 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001328651536 1148820640 /nfs/dbraw/zinc/82/06/40/1148820640.db2.gz ZNEKOBBHWRMIIX-ZBFHGGJFSA-N 1 3 304.438 2.278 20 30 DEEDHO C=CCN(C)CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001467727671 1059690353 /nfs/dbraw/zinc/69/03/53/1059690353.db2.gz OSDLOWNGXPUHQV-QGZVFWFLSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCN(C)CCN(CC)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001467727671 1059690365 /nfs/dbraw/zinc/69/03/65/1059690365.db2.gz OSDLOWNGXPUHQV-QGZVFWFLSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001567731249 1064384169 /nfs/dbraw/zinc/38/41/69/1064384169.db2.gz KNQMKULRSHEMKV-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001567731249 1064384182 /nfs/dbraw/zinc/38/41/82/1064384182.db2.gz KNQMKULRSHEMKV-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C#CC[NH2+]CC1(NC(=O)c2cccc(CN(C)C)c2)CCCC1 ZINC001568012168 1064594132 /nfs/dbraw/zinc/59/41/32/1064594132.db2.gz ZQCBUZKAJYXCMD-UHFFFAOYSA-N 1 3 313.445 2.014 20 30 DEEDHO C#CCC[NH2+]C1(CNC(=O)[C@H](C)N2CCCCCC2)CCCC1 ZINC001568244751 1064725864 /nfs/dbraw/zinc/72/58/64/1064725864.db2.gz OMFWVUKKDXTCBT-KRWDZBQOSA-N 1 3 319.493 2.293 20 30 DEEDHO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001621402085 1078173966 /nfs/dbraw/zinc/17/39/66/1078173966.db2.gz GUPTTXKTZWDYFZ-NALMEZQBSA-N 1 3 308.466 2.201 20 30 DEEDHO C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1CCC)C1CCCCC1 ZINC001496313144 1065402427 /nfs/dbraw/zinc/40/24/27/1065402427.db2.gz VYQCCRPSZXZEPU-ROUUACIJSA-N 1 3 319.493 2.149 20 30 DEEDHO C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001569321525 1065427731 /nfs/dbraw/zinc/42/77/31/1065427731.db2.gz QMCFXTKFPDPZTM-SJORKVTESA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCCC[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001496410092 1065453058 /nfs/dbraw/zinc/45/30/58/1065453058.db2.gz BDBYRVYHOJMWHY-MRXNPFEDSA-N 1 3 304.438 2.279 20 30 DEEDHO C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C(C)C ZINC001496563961 1065564844 /nfs/dbraw/zinc/56/48/44/1065564844.db2.gz AFUQVSIEKRTOTQ-CABCVRRESA-N 1 3 315.889 2.344 20 30 DEEDHO C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)C(C)C ZINC001496563961 1065564857 /nfs/dbraw/zinc/56/48/57/1065564857.db2.gz AFUQVSIEKRTOTQ-CABCVRRESA-N 1 3 315.889 2.344 20 30 DEEDHO C=CCC[NH+]1CCC(C)(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001569700814 1065678534 /nfs/dbraw/zinc/67/85/34/1065678534.db2.gz PBERXLBTUCJTNH-INIZCTEOSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001570043353 1065900368 /nfs/dbraw/zinc/90/03/68/1065900368.db2.gz OWQZQTAVJHIWAZ-WKILWMFISA-N 1 3 307.482 2.311 20 30 DEEDHO CC#CCN(C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001570198594 1065969242 /nfs/dbraw/zinc/96/92/42/1065969242.db2.gz DUVCMLGONUOVAN-GOSISDBHSA-N 1 3 319.493 2.197 20 30 DEEDHO CC#CCN(C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001570198594 1065969251 /nfs/dbraw/zinc/96/92/51/1065969251.db2.gz DUVCMLGONUOVAN-GOSISDBHSA-N 1 3 319.493 2.197 20 30 DEEDHO CC#CCN1CC[C@@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001570274518 1066000690 /nfs/dbraw/zinc/00/06/90/1066000690.db2.gz FHWZWHYNMJGWGV-LJQANCHMSA-N 1 3 319.493 2.056 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001498458172 1066720997 /nfs/dbraw/zinc/72/09/97/1066720997.db2.gz RQEPJFMBVIHJQN-OAHLLOKOSA-N 1 3 303.450 2.374 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001498458172 1066721006 /nfs/dbraw/zinc/72/10/06/1066721006.db2.gz RQEPJFMBVIHJQN-OAHLLOKOSA-N 1 3 303.450 2.374 20 30 DEEDHO C#CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001499482346 1067234013 /nfs/dbraw/zinc/23/40/13/1067234013.db2.gz VAFUTQTUTCUDFZ-QZTJIDSGSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001499482346 1067234017 /nfs/dbraw/zinc/23/40/17/1067234017.db2.gz VAFUTQTUTCUDFZ-QZTJIDSGSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[N@@H+](CCNC(=O)[C@@H](CC)N(C)C)C1CCCCCC1 ZINC001499518814 1067243099 /nfs/dbraw/zinc/24/30/99/1067243099.db2.gz HHDGXQXRCZSIMJ-GOSISDBHSA-N 1 3 321.509 2.491 20 30 DEEDHO C#CCC[N@H+](CCNC(=O)[C@@H](CC)N(C)C)C1CCCCCC1 ZINC001499518814 1067243106 /nfs/dbraw/zinc/24/31/06/1067243106.db2.gz HHDGXQXRCZSIMJ-GOSISDBHSA-N 1 3 321.509 2.491 20 30 DEEDHO C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001267174067 1078638226 /nfs/dbraw/zinc/63/82/26/1078638226.db2.gz VRUVRFJUNRTDPF-RDJZCZTQSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN(C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001570710068 1068086304 /nfs/dbraw/zinc/08/63/04/1068086304.db2.gz ASXDWQVIIAAVQX-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN(C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001570710068 1068086319 /nfs/dbraw/zinc/08/63/19/1068086319.db2.gz ASXDWQVIIAAVQX-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001570907271 1068157895 /nfs/dbraw/zinc/15/78/95/1068157895.db2.gz CYXOQGJGKQCQKZ-HOTGVXAUSA-N 1 3 309.498 2.365 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001570907271 1068157901 /nfs/dbraw/zinc/15/79/01/1068157901.db2.gz CYXOQGJGKQCQKZ-HOTGVXAUSA-N 1 3 309.498 2.365 20 30 DEEDHO C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001566755363 1075337305 /nfs/dbraw/zinc/33/73/05/1075337305.db2.gz DBSZLMBIWULIJU-HDICACEKSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001566790787 1075345077 /nfs/dbraw/zinc/34/50/77/1075345077.db2.gz YCHCOJBQUREPRH-QBPKDAKJSA-N 1 3 307.482 2.451 20 30 DEEDHO C=CC[NH2+]CC[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001484552256 1079656216 /nfs/dbraw/zinc/65/62/16/1079656216.db2.gz YLZZAWOMPKNYOH-MRXNPFEDSA-N 1 3 315.461 2.376 20 30 DEEDHO C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001481487616 1079945054 /nfs/dbraw/zinc/94/50/54/1079945054.db2.gz GEQYDCDKTRRBPF-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001481487616 1079945056 /nfs/dbraw/zinc/94/50/56/1079945056.db2.gz GEQYDCDKTRRBPF-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCCCC[N@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001272699329 1080153567 /nfs/dbraw/zinc/15/35/67/1080153567.db2.gz HGBCNWOLHFWEDS-SFHVURJKSA-N 1 3 307.482 2.219 20 30 DEEDHO C=CCCCCC[N@@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001272699329 1080153569 /nfs/dbraw/zinc/15/35/69/1080153569.db2.gz HGBCNWOLHFWEDS-SFHVURJKSA-N 1 3 307.482 2.219 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001494054534 1080371969 /nfs/dbraw/zinc/37/19/69/1080371969.db2.gz KMNPSTYBGUGCIQ-SJORKVTESA-N 1 3 307.482 2.123 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001494054534 1080371976 /nfs/dbraw/zinc/37/19/76/1080371976.db2.gz KMNPSTYBGUGCIQ-SJORKVTESA-N 1 3 307.482 2.123 20 30 DEEDHO C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCCN2CC)C1 ZINC001279328931 1080456848 /nfs/dbraw/zinc/45/68/48/1080456848.db2.gz MYKNBNLIPIQUCQ-OFLPRAFFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[NH2+]CC[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001666157479 1081128644 /nfs/dbraw/zinc/12/86/44/1081128644.db2.gz ODCPJQGBZNEGFD-QGZVFWFLSA-N 1 3 307.482 2.123 20 30 DEEDHO C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001666619625 1081167502 /nfs/dbraw/zinc/16/75/02/1081167502.db2.gz HJZQAYZMQZCNLF-PBHICJAKSA-N 1 3 313.461 2.117 20 30 DEEDHO CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCN1CCC)C(C)(C)C ZINC001284600054 1081340022 /nfs/dbraw/zinc/34/00/22/1081340022.db2.gz YJFYSJRBERPMSK-HZPDHXFCSA-N 1 3 307.482 2.005 20 30 DEEDHO C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001668321106 1081341058 /nfs/dbraw/zinc/34/10/58/1081341058.db2.gz WRQUUJMURYLQHE-KBPBESRZSA-N 1 3 301.862 2.098 20 30 DEEDHO CC#CCN1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001674154775 1081847281 /nfs/dbraw/zinc/84/72/81/1081847281.db2.gz MJVVRWWUGZADND-MSOLQXFVSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266466616 1082055351 /nfs/dbraw/zinc/05/53/51/1082055351.db2.gz RQCPKVXHYHWZKK-IAGOWNOFSA-N 1 3 309.498 2.319 20 30 DEEDHO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266466616 1082055356 /nfs/dbraw/zinc/05/53/56/1082055356.db2.gz RQCPKVXHYHWZKK-IAGOWNOFSA-N 1 3 309.498 2.319 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001670469324 1082145355 /nfs/dbraw/zinc/14/53/55/1082145355.db2.gz HJLZCKYCARHANO-MRXNPFEDSA-N 1 3 307.482 2.311 20 30 DEEDHO C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001271764265 1082147838 /nfs/dbraw/zinc/14/78/38/1082147838.db2.gz JFNLIVYBYQYUGF-KZNAEPCWSA-N 1 3 319.493 2.005 20 30 DEEDHO C#CCC[N@H+](CCC)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001266573344 1082167408 /nfs/dbraw/zinc/16/74/08/1082167408.db2.gz QPGHOQSWAILBQM-KRWDZBQOSA-N 1 3 307.482 2.101 20 30 DEEDHO C#CCC[N@@H+](CCC)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001266573344 1082167409 /nfs/dbraw/zinc/16/74/09/1082167409.db2.gz QPGHOQSWAILBQM-KRWDZBQOSA-N 1 3 307.482 2.101 20 30 DEEDHO C#CCC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1CC ZINC001670586985 1082189217 /nfs/dbraw/zinc/18/92/17/1082189217.db2.gz DHFAOKQVWOCXRM-IAGOWNOFSA-N 1 3 321.509 2.204 20 30 DEEDHO C=CCCCCCN1CC[C@@H]2C[C@@]21C(=O)NC1CC[NH+](C)CC1 ZINC001277151973 1083813162 /nfs/dbraw/zinc/81/31/62/1083813162.db2.gz NYDSIZOSJUXQQY-APWZRJJASA-N 1 3 319.493 2.408 20 30 DEEDHO C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001277702247 1084102661 /nfs/dbraw/zinc/10/26/61/1084102661.db2.gz JMTQYVPVSIJCAV-ZWKOTPCHSA-N 1 3 319.493 2.099 20 30 DEEDHO C=C(Cl)C[NH2+]CCCNC(=O)CN(C)CCCCCC ZINC001168594830 1084111869 /nfs/dbraw/zinc/11/18/69/1084111869.db2.gz AYTKZLWJMSWGFQ-UHFFFAOYSA-N 1 3 303.878 2.347 20 30 DEEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC000961413017 1085723517 /nfs/dbraw/zinc/72/35/17/1085723517.db2.gz WREFQBZFCNZUKZ-ROUUACIJSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC000961413017 1085723526 /nfs/dbraw/zinc/72/35/26/1085723526.db2.gz WREFQBZFCNZUKZ-ROUUACIJSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCN3C(C)C)C2)C1 ZINC000963787375 1086559334 /nfs/dbraw/zinc/55/93/34/1086559334.db2.gz IWABDNNSLHRUDI-APUKJBRXSA-N 1 3 319.493 2.452 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1C(C)C ZINC001085196967 1088607555 /nfs/dbraw/zinc/60/75/55/1088607555.db2.gz WZXHRSBYMLXEIE-BRWVUGGUSA-N 1 3 307.482 2.452 20 30 DEEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101456 1090645260 /nfs/dbraw/zinc/64/52/60/1090645260.db2.gz LVCGPRAUTAIYDN-FGTMMUONSA-N 1 3 319.493 2.216 20 30 DEEDHO C=C(C)C[NH2+]CC1(NC(=O)CN(C)C2CCC2)CCCCC1 ZINC001276207448 1091691288 /nfs/dbraw/zinc/69/12/88/1091691288.db2.gz DADKGYLLLKHOPP-UHFFFAOYSA-N 1 3 307.482 2.456 20 30 DEEDHO C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001671075730 1091731505 /nfs/dbraw/zinc/73/15/05/1091731505.db2.gz WXCQDALDPJKFAQ-AEFFLSMTSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001671075730 1091731511 /nfs/dbraw/zinc/73/15/11/1091731511.db2.gz WXCQDALDPJKFAQ-AEFFLSMTSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000948767715 1091925199 /nfs/dbraw/zinc/92/51/99/1091925199.db2.gz ZRNIZCODWHIATH-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000948767715 1091925205 /nfs/dbraw/zinc/92/52/05/1091925205.db2.gz ZRNIZCODWHIATH-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO CC#CC[NH2+][C@@H]1CCCCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001489238848 1092999828 /nfs/dbraw/zinc/99/98/28/1092999828.db2.gz PSFRFUJLMJHPRY-QGZVFWFLSA-N 1 3 321.509 2.348 20 30 DEEDHO C=CC[NH2+]C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001278004975 1138406767 /nfs/dbraw/zinc/40/67/67/1138406767.db2.gz ICUVVTHZDUJOPC-QGZVFWFLSA-N 1 3 301.434 2.128 20 30 DEEDHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](CC=C(C)C)CC1 ZINC001278194565 1138826462 /nfs/dbraw/zinc/82/64/62/1138826462.db2.gz PZTOWUGIAGAWJW-GOSISDBHSA-N 1 3 319.493 2.219 20 30 DEEDHO CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN(C)C(C)C)C2)CC1 ZINC001316668717 1140308576 /nfs/dbraw/zinc/30/85/76/1140308576.db2.gz KFDPMOKVTSWPQS-KRWDZBQOSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCN(C(=O)CN(C)C(C)C)C1CC[NH+](CC2CCC2)CC1 ZINC001324440931 1142078494 /nfs/dbraw/zinc/07/84/94/1142078494.db2.gz JHDRLDUIBPEVGO-UHFFFAOYSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CC(CC)(CC)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252915738 1142829383 /nfs/dbraw/zinc/82/93/83/1142829383.db2.gz KVQOYWJJKAXWSJ-LJQANCHMSA-N 1 3 300.446 2.405 20 30 DEEDHO C#CC(CC)(CC)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252915738 1142829384 /nfs/dbraw/zinc/82/93/84/1142829384.db2.gz KVQOYWJJKAXWSJ-LJQANCHMSA-N 1 3 300.446 2.405 20 30 DEEDHO C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC001341701323 1143672665 /nfs/dbraw/zinc/67/26/65/1143672665.db2.gz OIROUBYLPGJXJZ-QZTJIDSGSA-N 1 3 315.461 2.451 20 30 DEEDHO C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001341731495 1143687038 /nfs/dbraw/zinc/68/70/38/1143687038.db2.gz BVSVBUHUBWNTQR-BPQIPLTHSA-N 1 3 315.461 2.307 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)[C@H]21 ZINC001264032293 1144445425 /nfs/dbraw/zinc/44/54/25/1144445425.db2.gz JRLFSQGINOOWOP-OIISXLGYSA-N 1 3 307.482 2.118 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)[C@H]21 ZINC001264032293 1144445426 /nfs/dbraw/zinc/44/54/26/1144445426.db2.gz JRLFSQGINOOWOP-OIISXLGYSA-N 1 3 307.482 2.118 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)C(C)C ZINC001264032292 1144445876 /nfs/dbraw/zinc/44/58/76/1144445876.db2.gz JRLFSQGINOOWOP-HYVNUMGLSA-N 1 3 307.482 2.118 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)C(C)C ZINC001264032292 1144445883 /nfs/dbraw/zinc/44/58/83/1144445883.db2.gz JRLFSQGINOOWOP-HYVNUMGLSA-N 1 3 307.482 2.118 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001266041451 1144798736 /nfs/dbraw/zinc/79/87/36/1144798736.db2.gz VRJWKCCBHFBDSN-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CC1(C)C ZINC001284348046 1145840670 /nfs/dbraw/zinc/84/06/70/1145840670.db2.gz REILPMJBUUDDII-JKSUJKDBSA-N 1 3 309.498 2.365 20 30 DEEDHO C=CCC[NH2+][C@H]1C[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001316642872 1146516693 /nfs/dbraw/zinc/51/66/93/1146516693.db2.gz XAYWFTYSIJVNDZ-SAABIXHNSA-N 1 3 315.461 2.422 20 30 DEEDHO C#CCN(C)[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001480732035 1147168586 /nfs/dbraw/zinc/16/85/86/1147168586.db2.gz ZUXQHFJFIQEZOT-SFHVURJKSA-N 1 3 319.493 2.197 20 30 DEEDHO C#CCN(C)[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001480732035 1147168602 /nfs/dbraw/zinc/16/86/02/1147168602.db2.gz ZUXQHFJFIQEZOT-SFHVURJKSA-N 1 3 319.493 2.197 20 30 DEEDHO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001317076120 1147656643 /nfs/dbraw/zinc/65/66/43/1147656643.db2.gz MHRVJOOVMGLHRY-WKILWMFISA-N 1 3 307.482 2.454 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001317158473 1147668012 /nfs/dbraw/zinc/66/80/12/1147668012.db2.gz UOVHJXBUVDJBHM-MRXNPFEDSA-N 1 3 309.498 2.369 20 30 DEEDHO C=C(C)C[N@@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001317557783 1147725049 /nfs/dbraw/zinc/72/50/49/1147725049.db2.gz AACSVGNRRBKSPD-KRWDZBQOSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[N@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001317557783 1147725051 /nfs/dbraw/zinc/72/50/51/1147725051.db2.gz AACSVGNRRBKSPD-KRWDZBQOSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001326419825 1148097271 /nfs/dbraw/zinc/09/72/71/1148097271.db2.gz SEYBXRVBOHSWHX-IAGOWNOFSA-N 1 3 309.498 2.367 20 30 DEEDHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000072859276 191242949 /nfs/dbraw/zinc/24/29/49/191242949.db2.gz OTJOAHIFQXQDHO-MRXNPFEDSA-N 1 3 314.433 2.160 20 30 DEEDHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000072859276 191242952 /nfs/dbraw/zinc/24/29/52/191242952.db2.gz OTJOAHIFQXQDHO-MRXNPFEDSA-N 1 3 314.433 2.160 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000073436872 191316222 /nfs/dbraw/zinc/31/62/22/191316222.db2.gz VOIFYGBQAKGTTL-UHFFFAOYSA-N 1 3 307.482 2.264 20 30 DEEDHO C[NH+](C)CCOc1ccccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598719820 359304826 /nfs/dbraw/zinc/30/48/26/359304826.db2.gz JIZVWJKWWZSXCP-INIZCTEOSA-N 1 3 319.449 2.017 20 30 DEEDHO C[C@@H](CCC#N)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000602515552 360413843 /nfs/dbraw/zinc/41/38/43/360413843.db2.gz PMETXUBKAXWCHF-KRWDZBQOSA-N 1 3 314.477 2.463 20 30 DEEDHO CCN1CCC([N@@H+]2CCCN(CC3(CC#N)CC3)CC2)CC1 ZINC000602847068 360587260 /nfs/dbraw/zinc/58/72/60/360587260.db2.gz RSQGGZHVJIRHLZ-UHFFFAOYSA-N 1 3 304.482 2.172 20 30 DEEDHO CCN1CCC([N@H+]2CCCN(CC3(CC#N)CC3)CC2)CC1 ZINC000602847068 360587261 /nfs/dbraw/zinc/58/72/61/360587261.db2.gz RSQGGZHVJIRHLZ-UHFFFAOYSA-N 1 3 304.482 2.172 20 30 DEEDHO CC[NH+]1CCC(N2CCCN(CC3(CC#N)CC3)CC2)CC1 ZINC000602847068 360587264 /nfs/dbraw/zinc/58/72/64/360587264.db2.gz RSQGGZHVJIRHLZ-UHFFFAOYSA-N 1 3 304.482 2.172 20 30 DEEDHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000619423549 363789244 /nfs/dbraw/zinc/78/92/44/363789244.db2.gz INTFOTGLDDYIJB-ROUUACIJSA-N 1 3 324.428 2.230 20 30 DEEDHO CC(C)c1cccc(NC(=[NH2+])NC[C@H](O)CN2CCCCC2)c1 ZINC000170913175 402541305 /nfs/dbraw/zinc/54/13/05/402541305.db2.gz ZRTYOGFNQMKKRU-KRWDZBQOSA-N 1 3 318.465 2.383 20 30 DEEDHO [NH2+]=C(NCC1CCN(c2ccncc2)CC1)Nc1ccccn1 ZINC000179738781 402599081 /nfs/dbraw/zinc/59/90/81/402599081.db2.gz BKESCCNHRUMKCN-UHFFFAOYSA-N 1 3 310.405 2.120 20 30 DEEDHO C[NH+]=C(NC[C@H]1CCCN(Cc2cccs2)C1)NC1CC1 ZINC000264085778 402837760 /nfs/dbraw/zinc/83/77/60/402837760.db2.gz VPGBIDQLZPYSSV-CYBMUJFWSA-N 1 3 306.479 2.288 20 30 DEEDHO CN1CC[NH+](CC2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000265445070 402919697 /nfs/dbraw/zinc/91/96/97/402919697.db2.gz RBJBVRNZTZZQAT-UHFFFAOYSA-N 1 3 312.461 2.018 20 30 DEEDHO CCN(CCC[NH+](C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281259084 403062411 /nfs/dbraw/zinc/06/24/11/403062411.db2.gz QMTNETOJRQYMFQ-QGZVFWFLSA-N 1 3 312.417 2.041 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1cccc2[nH]ccc21 ZINC000283765653 403221601 /nfs/dbraw/zinc/22/16/01/403221601.db2.gz IJVDKMRTOOQPRU-OAHLLOKOSA-N 1 3 313.449 2.099 20 30 DEEDHO CC[C@@H](C)NC(=[NH2+])NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000283989141 403237089 /nfs/dbraw/zinc/23/70/89/403237089.db2.gz LWDJSUYMQDXLHS-CQSZACIVSA-N 1 3 318.465 2.362 20 30 DEEDHO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCN(C)CC1)C(C)C ZINC000298654596 403433221 /nfs/dbraw/zinc/43/32/21/403433221.db2.gz GFMXTGZTRUZQIP-KRWDZBQOSA-N 1 3 322.497 2.032 20 30 DEEDHO CC[NH+](CC)CCOc1ccccc1CNC(=O)C(C)C#N ZINC000345821104 403498046 /nfs/dbraw/zinc/49/80/46/403498046.db2.gz VOUCWULTQRZBBV-AWEZNQCLSA-N 1 3 303.406 2.183 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000294255819 403684915 /nfs/dbraw/zinc/68/49/15/403684915.db2.gz ZNNACLBCAJSSDM-BRWVUGGUSA-N 1 3 307.482 2.176 20 30 DEEDHO C=CCOCCC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000348049085 404022502 /nfs/dbraw/zinc/02/25/02/404022502.db2.gz IMIKADXWZYEGMH-UHFFFAOYSA-N 1 3 309.498 2.070 20 30 DEEDHO C=CCN1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000363661083 404215034 /nfs/dbraw/zinc/21/50/34/404215034.db2.gz PFVBHTREBMNGRG-INIZCTEOSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCN1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000363661083 404215045 /nfs/dbraw/zinc/21/50/45/404215045.db2.gz PFVBHTREBMNGRG-INIZCTEOSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCN1CCC(NC(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000415907593 404968878 /nfs/dbraw/zinc/96/88/78/404968878.db2.gz BMUHAHSDHPUTQQ-UHFFFAOYSA-N 1 3 302.422 2.178 20 30 DEEDHO N#CCCC[C@@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000424155229 405025139 /nfs/dbraw/zinc/02/51/39/405025139.db2.gz MOKMSWNFNFLBCL-DLBZAZTESA-N 1 3 320.481 2.122 20 30 DEEDHO N#Cc1ccc(CN2CCC([NH2+]CCCNC3CC3)CC2)cc1 ZINC000423573628 405858029 /nfs/dbraw/zinc/85/80/29/405858029.db2.gz ZGCZLCKRWNDBAK-UHFFFAOYSA-N 1 3 312.461 2.254 20 30 DEEDHO COC1CCN(C2(CNC(=[NH2+])NC3CCCC3)CCCC2)CC1 ZINC000263153213 225292932 /nfs/dbraw/zinc/29/29/32/225292932.db2.gz MLJFEQIFHHNBLE-UHFFFAOYSA-N 1 3 322.497 2.257 20 30 DEEDHO C[NH+](C)[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000281083495 225516171 /nfs/dbraw/zinc/51/61/71/225516171.db2.gz BGDUNZURNJYHOH-QZTJIDSGSA-N 1 3 324.428 2.183 20 30 DEEDHO C[C@@H]1CN(CC2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)C[C@H](C)O1 ZINC000429684904 288153330 /nfs/dbraw/zinc/15/33/30/288153330.db2.gz NSELJFHWVRXRJG-CYGHRXIMSA-N 1 3 305.466 2.500 20 30 DEEDHO N#CCCC[C@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000424155231 303151538 /nfs/dbraw/zinc/15/15/38/303151538.db2.gz MOKMSWNFNFLBCL-IRXDYDNUSA-N 1 3 320.481 2.122 20 30 DEEDHO C=CC[NH2+][C@@H](CCN(C)C(=O)CN1CCC(C)CC1)C(C)C ZINC001329761359 1148989806 /nfs/dbraw/zinc/98/98/06/1148989806.db2.gz LIFFSHRZXZTNHD-KRWDZBQOSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C[C@@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1 ZINC000534799815 334337497 /nfs/dbraw/zinc/33/74/97/334337497.db2.gz MVUNWJDLRDPQRL-KRWDZBQOSA-N 1 3 317.477 2.298 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000541855175 340986028 /nfs/dbraw/zinc/98/60/28/340986028.db2.gz AIGWZZLBTVCBMA-UHFFFAOYSA-N 1 3 316.449 2.065 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@]1(CC)CCC[NH2+]1)C(C)C ZINC000134572009 341218581 /nfs/dbraw/zinc/21/85/81/341218581.db2.gz RWAPECRBTGOPHO-WMZOPIPTSA-N 1 3 307.482 2.333 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC(C[NH3+])CC1)C(C)C ZINC000417062881 517329403 /nfs/dbraw/zinc/32/94/03/517329403.db2.gz MOCFWZFATMEHNJ-QGZVFWFLSA-N 1 3 322.497 2.065 20 30 DEEDHO C=C(C)CNC(=[NH2+])NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000264119730 526574962 /nfs/dbraw/zinc/57/49/62/526574962.db2.gz UOWHMZCUTQAURT-CQSZACIVSA-N 1 3 306.479 2.441 20 30 DEEDHO C#Cc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000377656264 527434272 /nfs/dbraw/zinc/43/42/72/527434272.db2.gz RVDMMUDUVNPGRY-FXAWDEMLSA-N 1 3 311.473 2.126 20 30 DEEDHO C#Cc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000377656264 527434278 /nfs/dbraw/zinc/43/42/78/527434278.db2.gz RVDMMUDUVNPGRY-FXAWDEMLSA-N 1 3 311.473 2.126 20 30 DEEDHO C#Cc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000377656264 527434283 /nfs/dbraw/zinc/43/42/83/527434283.db2.gz RVDMMUDUVNPGRY-FXAWDEMLSA-N 1 3 311.473 2.126 20 30 DEEDHO CC(C)c1cccc(NC(=[NH2+])NCCCN2CCC(O)CC2)c1 ZINC000264125908 528173346 /nfs/dbraw/zinc/17/33/46/528173346.db2.gz WHFHKGGLQQJEBP-UHFFFAOYSA-N 1 3 318.465 2.383 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1c[nH]c2ccccc12 ZINC000264098787 529100144 /nfs/dbraw/zinc/10/01/44/529100144.db2.gz MIOXYRQDKGPKHJ-HNNXBMFYSA-N 1 3 313.449 2.099 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC1CC(c2ccccc2)C1 ZINC000264162715 529100560 /nfs/dbraw/zinc/10/05/60/529100560.db2.gz BKZQHPWUEARQQL-JCYILVPMSA-N 1 3 300.450 2.321 20 30 DEEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969833090 622942694 /nfs/dbraw/zinc/94/26/94/622942694.db2.gz LPNGSHFCIHHWDU-MAUKXSAKSA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969833090 622942698 /nfs/dbraw/zinc/94/26/98/622942698.db2.gz LPNGSHFCIHHWDU-MAUKXSAKSA-N 1 3 319.493 2.406 20 30 DEEDHO C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC000970529122 623522963 /nfs/dbraw/zinc/52/29/63/623522963.db2.gz MIEPRTGFOSPDHJ-WBVHZDCISA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(C)CN1CC([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000970671266 623606561 /nfs/dbraw/zinc/60/65/61/623606561.db2.gz YEWOLXXWCFDURA-HNNXBMFYSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021605246 623822754 /nfs/dbraw/zinc/82/27/54/623822754.db2.gz LXDSXVIIONAWCT-AEFFLSMTSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021605246 623822763 /nfs/dbraw/zinc/82/27/63/623822763.db2.gz LXDSXVIIONAWCT-AEFFLSMTSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001023363889 625239214 /nfs/dbraw/zinc/23/92/14/625239214.db2.gz DXENGVNAERORBV-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001023363889 625239216 /nfs/dbraw/zinc/23/92/16/625239216.db2.gz DXENGVNAERORBV-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCCN3C(C)C)CC2)CC1 ZINC001000150505 634770327 /nfs/dbraw/zinc/77/03/27/634770327.db2.gz RFHVJJJKVSPSCQ-KRWDZBQOSA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)CN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974598372 633172603 /nfs/dbraw/zinc/17/26/03/633172603.db2.gz HFTFXWRWHPNYOQ-ARFHVFGLSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)CN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974598372 633172607 /nfs/dbraw/zinc/17/26/07/633172607.db2.gz HFTFXWRWHPNYOQ-ARFHVFGLSA-N 1 3 307.482 2.119 20 30 DEEDHO C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000997333406 633703173 /nfs/dbraw/zinc/70/31/73/633703173.db2.gz LOHZFNHCJYGFQB-SJLPKXTDSA-N 1 3 319.493 2.099 20 30 DEEDHO C#CCN1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000997333406 633703179 /nfs/dbraw/zinc/70/31/79/633703179.db2.gz LOHZFNHCJYGFQB-SJLPKXTDSA-N 1 3 319.493 2.099 20 30 DEEDHO C#CCN1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000997333406 633703183 /nfs/dbraw/zinc/70/31/83/633703183.db2.gz LOHZFNHCJYGFQB-SJLPKXTDSA-N 1 3 319.493 2.099 20 30 DEEDHO CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCCN2CC)CC1 ZINC000997434346 633756386 /nfs/dbraw/zinc/75/63/86/633756386.db2.gz LXMQCGWEMXGVKG-AEFFLSMTSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC001027985575 635169032 /nfs/dbraw/zinc/16/90/32/635169032.db2.gz LEOVVMFMFJPQAB-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC001027985575 635169035 /nfs/dbraw/zinc/16/90/35/635169035.db2.gz LEOVVMFMFJPQAB-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCN1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001002037248 635609877 /nfs/dbraw/zinc/60/98/77/635609877.db2.gz MBHJJPCTQQNJIH-SFHVURJKSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCN1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001002037248 635609880 /nfs/dbraw/zinc/60/98/80/635609880.db2.gz MBHJJPCTQQNJIH-SFHVURJKSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000981812183 635666799 /nfs/dbraw/zinc/66/67/99/635666799.db2.gz ILZOEULXQUVPFO-KRWDZBQOSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981812183 635666800 /nfs/dbraw/zinc/66/68/00/635666800.db2.gz ILZOEULXQUVPFO-KRWDZBQOSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001002791975 635798668 /nfs/dbraw/zinc/79/86/68/635798668.db2.gz LANRFJNBVFPHAO-KRWDZBQOSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001004538617 636480879 /nfs/dbraw/zinc/48/08/79/636480879.db2.gz DIFOTLFLMNTQHU-QZTJIDSGSA-N 1 3 321.509 2.462 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001004538617 636480884 /nfs/dbraw/zinc/48/08/84/636480884.db2.gz DIFOTLFLMNTQHU-QZTJIDSGSA-N 1 3 321.509 2.462 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779933 636647365 /nfs/dbraw/zinc/64/73/65/636647365.db2.gz VTRXSRVXCRGIMM-OKZBNKHCSA-N 1 3 319.493 2.075 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779933 636647367 /nfs/dbraw/zinc/64/73/67/636647367.db2.gz VTRXSRVXCRGIMM-OKZBNKHCSA-N 1 3 319.493 2.075 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001005391075 636730184 /nfs/dbraw/zinc/73/01/84/636730184.db2.gz OZNYEEQNNDPEMJ-UHFFFAOYSA-N 1 3 307.482 2.360 20 30 DEEDHO C#CCOc1ccccc1CN1CCC(OCC[NH+](C)C)CC1 ZINC000769383142 641229524 /nfs/dbraw/zinc/22/95/24/641229524.db2.gz CUSBSMMRQXAUGG-UHFFFAOYSA-N 1 3 316.445 2.241 20 30 DEEDHO C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]21 ZINC000992859035 647308921 /nfs/dbraw/zinc/30/89/21/647308921.db2.gz LXZXRRCUXWCEEW-FGTMMUONSA-N 1 3 319.493 2.121 20 30 DEEDHO CN(CCC#N)c1ccc(CNC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000108428858 651630893 /nfs/dbraw/zinc/63/08/93/651630893.db2.gz CKQGVIBCIRDIGD-KRWDZBQOSA-N 1 3 300.450 2.468 20 30 DEEDHO CN(CCC#N)c1ccc(CNC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000108428858 651630896 /nfs/dbraw/zinc/63/08/96/651630896.db2.gz CKQGVIBCIRDIGD-KRWDZBQOSA-N 1 3 300.450 2.468 20 30 DEEDHO C[C@@H](CNC(=[NH2+])NCCc1ccccc1)N1CCC[C@H](C)C1 ZINC000303880301 685237803 /nfs/dbraw/zinc/23/78/03/685237803.db2.gz HCJZYORYYZUHIW-HOTGVXAUSA-N 1 3 302.466 2.254 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc2ccccc2o1 ZINC000303893641 685239223 /nfs/dbraw/zinc/23/92/23/685239223.db2.gz SARWZGGIVXSJDJ-AWEZNQCLSA-N 1 3 300.406 2.321 20 30 DEEDHO CC[C@H](C)N(C)CCNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000303975223 685241361 /nfs/dbraw/zinc/24/13/61/685241361.db2.gz IVVRMNRGHPWFGB-LBPRGKRZSA-N 1 3 308.426 2.161 20 30 DEEDHO C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001016761220 687697403 /nfs/dbraw/zinc/69/74/03/687697403.db2.gz HZGBMZNREPUXQM-INIZCTEOSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000876523700 689846428 /nfs/dbraw/zinc/84/64/28/689846428.db2.gz BIWSFXQBBXHSNU-GJZGRUSLSA-N 1 3 309.841 2.396 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000876711750 689912013 /nfs/dbraw/zinc/91/20/13/689912013.db2.gz DUSAUFQFEKWMCR-INIZCTEOSA-N 1 3 321.852 2.369 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000876876703 689961612 /nfs/dbraw/zinc/96/16/12/689961612.db2.gz IWDXPMCSBSRGGK-CQSZACIVSA-N 1 3 301.862 2.179 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000876876703 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692168219 /nfs/dbraw/zinc/16/82/19/692168219.db2.gz POROFRDAGIQUHM-AEFFLSMTSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCN1CCC)C2 ZINC001048531781 692641402 /nfs/dbraw/zinc/64/14/02/692641402.db2.gz DDGLZXHXBQACNL-MHORFTMASA-N 1 3 319.493 2.406 20 30 DEEDHO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCN1CCC)C2 ZINC001048531781 692641403 /nfs/dbraw/zinc/64/14/03/692641403.db2.gz DDGLZXHXBQACNL-MHORFTMASA-N 1 3 319.493 2.406 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001052378175 693518846 /nfs/dbraw/zinc/51/88/46/693518846.db2.gz SQYQBBMPUGKPMP-QGZVFWFLSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001052378175 693518848 /nfs/dbraw/zinc/51/88/48/693518848.db2.gz SQYQBBMPUGKPMP-QGZVFWFLSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001052619880 693580530 /nfs/dbraw/zinc/58/05/30/693580530.db2.gz JXYSKVWMIONBBR-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001052619880 693580533 /nfs/dbraw/zinc/58/05/33/693580533.db2.gz JXYSKVWMIONBBR-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(Cl)CNCC1(NC(=O)CCC[NH+](C)C)CCCC1 ZINC001373854242 1157409717 /nfs/dbraw/zinc/40/97/17/1157409717.db2.gz MEIALPQHUBQRSN-UHFFFAOYSA-N 1 3 301.862 2.099 20 30 DEEDHO C=C(Cl)C[NH2+]C1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001437096157 1179401183 /nfs/dbraw/zinc/40/11/83/1179401183.db2.gz WKZCYEXQAQLTSL-UHFFFAOYSA-N 1 3 301.862 2.096 20 30 DEEDHO C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001104640852 777990138 /nfs/dbraw/zinc/99/01/38/777990138.db2.gz ACZQQPCSUGKXON-BRWVUGGUSA-N 1 3 309.498 2.223 20 30 DEEDHO C=CC[NH2+]CC1(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001168301757 780815853 /nfs/dbraw/zinc/81/58/53/780815853.db2.gz CIMOHAMIYZJPBL-UHFFFAOYSA-N 1 3 315.461 2.424 20 30 DEEDHO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCCN1C(C)C ZINC001085352414 783647083 /nfs/dbraw/zinc/64/70/83/783647083.db2.gz GNMFAJBKSPKFBX-BRWVUGGUSA-N 1 3 307.482 2.452 20 30 DEEDHO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCCN1C(C)C ZINC001085352415 783648716 /nfs/dbraw/zinc/64/87/16/783648716.db2.gz GNMFAJBKSPKFBX-ZACQAIPSSA-N 1 3 307.482 2.452 20 30 DEEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001085629051 783904416 /nfs/dbraw/zinc/90/44/16/783904416.db2.gz KRVKCCNSHSYSKC-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001085629051 783904420 /nfs/dbraw/zinc/90/44/20/783904420.db2.gz KRVKCCNSHSYSKC-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCN1CCC ZINC001085629051 783904423 /nfs/dbraw/zinc/90/44/23/783904423.db2.gz KRVKCCNSHSYSKC-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCN1CCC ZINC001085629051 783904430 /nfs/dbraw/zinc/90/44/30/783904430.db2.gz KRVKCCNSHSYSKC-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001085639221 783915756 /nfs/dbraw/zinc/91/57/56/783915756.db2.gz KVEIOCANFYTRJC-DLBZAZTESA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001085639221 783915765 /nfs/dbraw/zinc/91/57/65/783915765.db2.gz KVEIOCANFYTRJC-DLBZAZTESA-N 1 3 307.482 2.073 20 30 DEEDHO C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC000968855779 784621116 /nfs/dbraw/zinc/62/11/16/784621116.db2.gz AHHZILIVDMBILG-QZTJIDSGSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC000968855779 784621118 /nfs/dbraw/zinc/62/11/18/784621118.db2.gz AHHZILIVDMBILG-QZTJIDSGSA-N 1 3 319.493 2.243 20 30 DEEDHO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC000968855819 784621456 /nfs/dbraw/zinc/62/14/56/784621456.db2.gz AQIYTSONVZAWCD-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC000968855819 784621459 /nfs/dbraw/zinc/62/14/59/784621459.db2.gz AQIYTSONVZAWCD-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC000968882749 784636743 /nfs/dbraw/zinc/63/67/43/784636743.db2.gz TYSOAXHPPYNLHO-QZTJIDSGSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC000968882749 784636745 /nfs/dbraw/zinc/63/67/45/784636745.db2.gz TYSOAXHPPYNLHO-QZTJIDSGSA-N 1 3 319.493 2.245 20 30 DEEDHO C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C(C)C)C2 ZINC001112586053 786164170 /nfs/dbraw/zinc/16/41/70/786164170.db2.gz FGPMBEBMGMLNFE-WMZOPIPTSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CN1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132524507 788114345 /nfs/dbraw/zinc/11/43/45/788114345.db2.gz IEPJJABKMHEOQV-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO CC#CC[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C ZINC001133121290 788288153 /nfs/dbraw/zinc/28/81/53/788288153.db2.gz GBHOMZNMPVSPTR-IRXDYDNUSA-N 1 3 321.509 2.062 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC)CC1 ZINC001146608692 791322527 /nfs/dbraw/zinc/32/25/27/791322527.db2.gz AQAHAFIBFQHBAM-JKSUJKDBSA-N 1 3 307.482 2.005 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091737939 791784238 /nfs/dbraw/zinc/78/42/38/791784238.db2.gz KVXPXSCAMGXUML-AOIWGVFYSA-N 1 3 319.493 2.073 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091737939 791784241 /nfs/dbraw/zinc/78/42/41/791784241.db2.gz KVXPXSCAMGXUML-AOIWGVFYSA-N 1 3 319.493 2.073 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001091742712 791790447 /nfs/dbraw/zinc/79/04/47/791790447.db2.gz GDOTULONEFUDLX-APWZRJJASA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001091742712 791790450 /nfs/dbraw/zinc/79/04/50/791790450.db2.gz GDOTULONEFUDLX-APWZRJJASA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001086941777 791857140 /nfs/dbraw/zinc/85/71/40/791857140.db2.gz BGESGKNTWOHDEK-SJORKVTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCN2CCC)[C@H](C)C1 ZINC001092658366 792103982 /nfs/dbraw/zinc/10/39/82/792103982.db2.gz RICZVDYHIIYTEZ-BRWVUGGUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCN2CCC)[C@H](C)C1 ZINC001092658366 792103987 /nfs/dbraw/zinc/10/39/87/792103987.db2.gz RICZVDYHIIYTEZ-BRWVUGGUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCN2CCC)[C@H](C)C1 ZINC001092658091 792104475 /nfs/dbraw/zinc/10/44/75/792104475.db2.gz HDEGIBXQTCKORQ-BRWVUGGUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCN2CCC)[C@H](C)C1 ZINC001092658091 792104480 /nfs/dbraw/zinc/10/44/80/792104480.db2.gz HDEGIBXQTCKORQ-BRWVUGGUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N1CCCC1)C2 ZINC001111467879 792111743 /nfs/dbraw/zinc/11/17/43/792111743.db2.gz ZOUUNJAVCXSEQQ-ZJPYXAASSA-N 1 3 319.493 2.404 20 30 DEEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N1CCCC1)C2 ZINC001111467879 792111750 /nfs/dbraw/zinc/11/17/50/792111750.db2.gz ZOUUNJAVCXSEQQ-ZJPYXAASSA-N 1 3 319.493 2.404 20 30 DEEDHO C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001112380465 794617499 /nfs/dbraw/zinc/61/74/99/794617499.db2.gz JEJCBWMYYOPWIH-SCTDSRPQSA-N 1 3 319.493 2.265 20 30 DEEDHO CC#CC[NH2+]C1(CNC(=O)CN(C)CC(C)(C)C)CCCCC1 ZINC001115730730 794899707 /nfs/dbraw/zinc/89/97/07/794899707.db2.gz RAHWCOBFTAYJFY-UHFFFAOYSA-N 1 3 321.509 2.396 20 30 DEEDHO C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCN2CCC)C[C@H]1C ZINC001181671483 795518138 /nfs/dbraw/zinc/51/81/38/795518138.db2.gz OLZYLQAOHMJXLH-JFIYKMOQSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001121301957 795614568 /nfs/dbraw/zinc/61/45/68/795614568.db2.gz ILZGETJQTMOGOY-SWAPUOLTSA-N 1 3 313.873 2.096 20 30 DEEDHO C=CCCC[NH2+]C1CC2(CC(NC(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001121768078 795685181 /nfs/dbraw/zinc/68/51/81/795685181.db2.gz YOLHOXQQWPIAMD-KZIPQDEESA-N 1 3 319.493 2.454 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001184577884 796087102 /nfs/dbraw/zinc/08/71/02/796087102.db2.gz QAODRMKOCOXLMI-HOTGVXAUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001185535432 796286647 /nfs/dbraw/zinc/28/66/47/796286647.db2.gz DRTQTNIOZHVDFZ-ZFWWWQNUSA-N 1 3 315.889 2.155 20 30 DEEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001186082722 796357295 /nfs/dbraw/zinc/35/72/95/796357295.db2.gz NVOWFTAQPSOXJB-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190646140 797047520 /nfs/dbraw/zinc/04/75/20/797047520.db2.gz XWRBNEPWLXAMIV-JKSUJKDBSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190646140 797047530 /nfs/dbraw/zinc/04/75/30/797047530.db2.gz XWRBNEPWLXAMIV-JKSUJKDBSA-N 1 3 307.482 2.358 20 30 DEEDHO CSc1nc(CN2CC[C@@H](C[NH3+])[C@@H](C)CC2)ccc1C#N ZINC001205627585 797538691 /nfs/dbraw/zinc/53/86/91/797538691.db2.gz QXQVFGPOIXQZAY-STQMWFEESA-N 1 3 304.463 2.482 20 30 DEEDHO C=CCC[N@H+]1CC=C(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001161207762 798810104 /nfs/dbraw/zinc/81/01/04/798810104.db2.gz VXRBKFDNQPUZAF-INIZCTEOSA-N 1 3 305.466 2.185 20 30 DEEDHO C=CCC[N@@H+]1CC=C(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001161207762 798810108 /nfs/dbraw/zinc/81/01/08/798810108.db2.gz VXRBKFDNQPUZAF-INIZCTEOSA-N 1 3 305.466 2.185 20 30 DEEDHO C#CCN1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001161491777 798869617 /nfs/dbraw/zinc/86/96/17/798869617.db2.gz ONDYBTYWOXUKLF-SFHVURJKSA-N 1 3 319.493 2.124 20 30 DEEDHO CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203427029 800045578 /nfs/dbraw/zinc/04/55/78/800045578.db2.gz SDMPQNXLRDACMP-HZPDHXFCSA-N 1 3 319.493 2.005 20 30 DEEDHO C=C(C)CC[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001206275715 800501034 /nfs/dbraw/zinc/50/10/34/800501034.db2.gz ZHPQHOSCHXKEJE-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001206952278 800640395 /nfs/dbraw/zinc/64/03/95/800640395.db2.gz HTRLKMAIYAULST-KRWDZBQOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001208014130 800892195 /nfs/dbraw/zinc/89/21/95/800892195.db2.gz MNHRWSXDEURJPM-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO N#Cc1ccc(-c2ccccc2NC(=O)[C@@H](N)CCCC[NH3+])nc1 ZINC001219422987 802326230 /nfs/dbraw/zinc/32/62/30/802326230.db2.gz SXMWQWXUSUBIAB-HNNXBMFYSA-N 1 3 323.400 2.015 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3CCC)[C@@H]2C1 ZINC001221594795 802595474 /nfs/dbraw/zinc/59/54/74/802595474.db2.gz CJHNGRDRBWZQOL-FGTMMUONSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3CCC)[C@@H]2C1 ZINC001221594795 802595479 /nfs/dbraw/zinc/59/54/79/802595479.db2.gz CJHNGRDRBWZQOL-FGTMMUONSA-N 1 3 319.493 2.360 20 30 DEEDHO C#CCN1CCC(CNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001223928678 802823545 /nfs/dbraw/zinc/82/35/45/802823545.db2.gz HCADJMRQKLTNJM-UHFFFAOYSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCN1CCC(CNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001223928678 802823549 /nfs/dbraw/zinc/82/35/49/802823549.db2.gz HCADJMRQKLTNJM-UHFFFAOYSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CCN1CCC(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001225464898 802970313 /nfs/dbraw/zinc/97/03/13/802970313.db2.gz QJNDCGTUQVTDTP-UHFFFAOYSA-N 1 3 319.493 2.104 20 30 DEEDHO C=CCC[NH2+]C1(CNC(=O)[C@H]2CCCCN2C(C)C)CCC1 ZINC001502007583 1059861565 /nfs/dbraw/zinc/86/15/65/1059861565.db2.gz YREVJCFYIMUFKR-MRXNPFEDSA-N 1 3 307.482 2.454 20 30 DEEDHO C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001502406728 1060116582 /nfs/dbraw/zinc/11/65/82/1060116582.db2.gz QZWJRKAVAYKAOT-ZWKOTPCHSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001502406728 1060116594 /nfs/dbraw/zinc/11/65/94/1060116594.db2.gz QZWJRKAVAYKAOT-ZWKOTPCHSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001566069504 1060472051 /nfs/dbraw/zinc/47/20/51/1060472051.db2.gz ZETLRNIFLKATJW-MSOLQXFVSA-N 1 3 319.493 2.243 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001479295346 1061372437 /nfs/dbraw/zinc/37/24/37/1061372437.db2.gz OGGSMCQLEWDPEX-IXDOHACOSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001506625670 1062206635 /nfs/dbraw/zinc/20/66/35/1062206635.db2.gz FKXICPRVXDZCCI-CABCVRRESA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CCC ZINC001480102945 1062332949 /nfs/dbraw/zinc/33/29/49/1062332949.db2.gz UAFVFQNUVBBAON-CALCHBBNSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CCC ZINC001480102945 1062332968 /nfs/dbraw/zinc/33/29/68/1062332968.db2.gz UAFVFQNUVBBAON-CALCHBBNSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001480301890 1062609361 /nfs/dbraw/zinc/60/93/61/1062609361.db2.gz BFFHJFMSZLMWKB-SJORKVTESA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001507326531 1063101750 /nfs/dbraw/zinc/10/17/50/1063101750.db2.gz VDYKPEXRQBPZOA-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO CC#CC[NH2+]C[C@](C)(NC(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC001495283114 1064807811 /nfs/dbraw/zinc/80/78/11/1064807811.db2.gz WBYCPIPUNPHHSG-LPHOPBHVSA-N 1 3 319.493 2.149 20 30 DEEDHO C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001568379730 1064823946 /nfs/dbraw/zinc/82/39/46/1064823946.db2.gz VKCQVXYULXAWOJ-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001569321522 1065427874 /nfs/dbraw/zinc/42/78/74/1065427874.db2.gz QMCFXTKFPDPZTM-DLBZAZTESA-N 1 3 307.482 2.310 20 30 DEEDHO C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001496425151 1065463326 /nfs/dbraw/zinc/46/33/26/1065463326.db2.gz CILFNLKXLOFQIS-OAHLLOKOSA-N 1 3 315.889 2.440 20 30 DEEDHO C=CCCCCCN1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001569379632 1065476779 /nfs/dbraw/zinc/47/67/79/1065476779.db2.gz FEWFVVJXYBITBR-MRXNPFEDSA-N 1 3 305.466 2.019 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001569400278 1065490554 /nfs/dbraw/zinc/49/05/54/1065490554.db2.gz KQKCEVWLHAZHSY-HZPDHXFCSA-N 1 3 307.482 2.452 20 30 DEEDHO C=CCN(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001496706025 1065660645 /nfs/dbraw/zinc/66/06/45/1065660645.db2.gz YWQLJVQNLDUSEH-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCN(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001496706025 1065660647 /nfs/dbraw/zinc/66/06/47/1065660647.db2.gz YWQLJVQNLDUSEH-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C#CC[NH+]1CCC(C)(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001569700085 1065678884 /nfs/dbraw/zinc/67/88/84/1065678884.db2.gz OBHQWPFRVOGFHI-UHFFFAOYSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCC[N@@H+](C)CCN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001496842142 1065748129 /nfs/dbraw/zinc/74/81/29/1065748129.db2.gz UFWNWTLSJRGTDN-UHFFFAOYSA-N 1 3 303.450 2.328 20 30 DEEDHO C=CCC[N@H+](C)CCN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001496842142 1065748142 /nfs/dbraw/zinc/74/81/42/1065748142.db2.gz UFWNWTLSJRGTDN-UHFFFAOYSA-N 1 3 303.450 2.328 20 30 DEEDHO CC(C)(CN)C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC001575315719 1066261281 /nfs/dbraw/zinc/26/12/81/1066261281.db2.gz WSQAPYUUXAVJRD-UHFFFAOYSA-N 1 3 300.450 2.097 20 30 DEEDHO C#CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCCN2CC)CC1 ZINC001570667274 1068061575 /nfs/dbraw/zinc/06/15/75/1068061575.db2.gz BMFXDQYCHFKKEA-DAWZGUTISA-N 1 3 319.493 2.243 20 30 DEEDHO C=CCC[NH+]1CC([C@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001570841648 1068136279 /nfs/dbraw/zinc/13/62/79/1068136279.db2.gz QABFCEYMWMZYKE-HNNXBMFYSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001483733665 1078914819 /nfs/dbraw/zinc/91/48/19/1078914819.db2.gz BBEBODKJGPIWAE-UHFFFAOYSA-N 1 3 307.482 2.456 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001646806189 1074627475 /nfs/dbraw/zinc/62/74/75/1074627475.db2.gz MKFNRVMASYEIET-UKRRQHHQSA-N 1 3 313.873 2.085 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001565864305 1075200112 /nfs/dbraw/zinc/20/01/12/1075200112.db2.gz OGGSMCQLEWDPEX-ULQDDVLXSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@@H](C)C1 ZINC001566755972 1075337190 /nfs/dbraw/zinc/33/71/90/1075337190.db2.gz YCZCVGCPZPLSGE-TVFCKZIOSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@@H](C)C1 ZINC001566755972 1075337195 /nfs/dbraw/zinc/33/71/95/1075337195.db2.gz YCZCVGCPZPLSGE-TVFCKZIOSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001566939436 1075393588 /nfs/dbraw/zinc/39/35/88/1075393588.db2.gz ANYHERRJSJZEMH-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001566967807 1075403311 /nfs/dbraw/zinc/40/33/11/1075403311.db2.gz WJIRLVZJNCGXFM-ZBFHGGJFSA-N 1 3 318.465 2.444 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001566967807 1075403316 /nfs/dbraw/zinc/40/33/16/1075403316.db2.gz WJIRLVZJNCGXFM-ZBFHGGJFSA-N 1 3 318.465 2.444 20 30 DEEDHO C=CCCC[NH2+][C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001567054445 1075423870 /nfs/dbraw/zinc/42/38/70/1075423870.db2.gz RLELFCMBXCORKT-YOEHRIQHSA-N 1 3 313.461 2.259 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN2CCC)C1 ZINC001267764746 1079469044 /nfs/dbraw/zinc/46/90/44/1079469044.db2.gz YMDKGQXAZNYKSH-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN2CCC)C1 ZINC001267764746 1079469047 /nfs/dbraw/zinc/46/90/47/1079469047.db2.gz YMDKGQXAZNYKSH-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001484563221 1079662487 /nfs/dbraw/zinc/66/24/87/1079662487.db2.gz LLKWYDTXFGFSKM-CRAIPNDOSA-N 1 3 315.461 2.173 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001481436154 1079842834 /nfs/dbraw/zinc/84/28/34/1079842834.db2.gz YSNXHAMXGFNGGS-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001481436154 1079842842 /nfs/dbraw/zinc/84/28/42/1079842842.db2.gz YSNXHAMXGFNGGS-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001485037221 1079932614 /nfs/dbraw/zinc/93/26/14/1079932614.db2.gz GKYODWGKQACCJM-KRWDZBQOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[NH2+]CC1CC(NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001485104594 1079983507 /nfs/dbraw/zinc/98/35/07/1079983507.db2.gz ANLCUKHLZPYREV-JCYILVPMSA-N 1 3 307.482 2.310 20 30 DEEDHO CC#CC[NH2+][C@H]1CCN(C(=O)CN(C)CCCCCC)C[C@H]1C ZINC001268138019 1080105338 /nfs/dbraw/zinc/10/53/38/1080105338.db2.gz OSHZCOLPMIBYPA-MSOLQXFVSA-N 1 3 321.509 2.348 20 30 DEEDHO C#CCCN1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001656979877 1080143888 /nfs/dbraw/zinc/14/38/88/1080143888.db2.gz SOJKNOJQEDKWGL-SJORKVTESA-N 1 3 319.493 2.101 20 30 DEEDHO C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001268173974 1080164441 /nfs/dbraw/zinc/16/44/41/1080164441.db2.gz GOOVSDKAPGCNCF-IAGOWNOFSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCN2CCC)C1 ZINC001485506828 1080267773 /nfs/dbraw/zinc/26/77/73/1080267773.db2.gz QXYYWFWJBAKKGK-NVXWUHKLSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](F)CN(CC)CC)C(C)(C)C1 ZINC001485570367 1080302606 /nfs/dbraw/zinc/30/26/06/1080302606.db2.gz BUMXYWRYAVDVAU-HUUCEWRRSA-N 1 3 313.461 2.069 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](F)CN(CC)CC)C(C)(C)C1 ZINC001485570367 1080302613 /nfs/dbraw/zinc/30/26/13/1080302613.db2.gz BUMXYWRYAVDVAU-HUUCEWRRSA-N 1 3 313.461 2.069 20 30 DEEDHO C=C(C)C[N@@H+](C)CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001660408624 1080326774 /nfs/dbraw/zinc/32/67/74/1080326774.db2.gz LJPDKYLTIHLORL-UHFFFAOYSA-N 1 3 303.450 2.376 20 30 DEEDHO C=C(C)C[N@H+](C)CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001660408624 1080326777 /nfs/dbraw/zinc/32/67/77/1080326777.db2.gz LJPDKYLTIHLORL-UHFFFAOYSA-N 1 3 303.450 2.376 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001494054520 1080372035 /nfs/dbraw/zinc/37/20/35/1080372035.db2.gz KMNPSTYBGUGCIQ-DLBZAZTESA-N 1 3 307.482 2.123 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001494054520 1080372038 /nfs/dbraw/zinc/37/20/38/1080372038.db2.gz KMNPSTYBGUGCIQ-DLBZAZTESA-N 1 3 307.482 2.123 20 30 DEEDHO C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)N1CCCCC1 ZINC001485810145 1080449923 /nfs/dbraw/zinc/44/99/23/1080449923.db2.gz CIXJRTMTXZKTGM-KRWDZBQOSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001107033798 1080546945 /nfs/dbraw/zinc/54/69/45/1080546945.db2.gz AWBXBYIDKHXLIE-NVXWUHKLSA-N 1 3 315.461 2.232 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCCN1CC ZINC001663124208 1080706577 /nfs/dbraw/zinc/70/65/77/1080706577.db2.gz UDVUMZBRVZDSGZ-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCCN1CC ZINC001663124208 1080706584 /nfs/dbraw/zinc/70/65/84/1080706584.db2.gz UDVUMZBRVZDSGZ-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001664457391 1080912430 /nfs/dbraw/zinc/91/24/30/1080912430.db2.gz NLVVUZOPUDKIEW-CVEARBPZSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)N(C)C ZINC001268965046 1081061147 /nfs/dbraw/zinc/06/11/47/1081061147.db2.gz HSIFBSMJWXZWBS-LUKYLMHMSA-N 1 3 307.482 2.212 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)N(C)C ZINC001268965046 1081061156 /nfs/dbraw/zinc/06/11/56/1081061156.db2.gz HSIFBSMJWXZWBS-LUKYLMHMSA-N 1 3 307.482 2.212 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001271007185 1081872757 /nfs/dbraw/zinc/87/27/57/1081872757.db2.gz KITAVQDALPGEED-WMZOPIPTSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001271007185 1081872761 /nfs/dbraw/zinc/87/27/61/1081872761.db2.gz KITAVQDALPGEED-WMZOPIPTSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCCN1CC ZINC001266884059 1082428198 /nfs/dbraw/zinc/42/81/98/1082428198.db2.gz KOHTUJJTALWJHQ-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438917 1083396408 /nfs/dbraw/zinc/39/64/08/1083396408.db2.gz MWRQWAZYECNKOW-ZHALLVOQSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438917 1083396416 /nfs/dbraw/zinc/39/64/16/1083396416.db2.gz MWRQWAZYECNKOW-ZHALLVOQSA-N 1 3 319.493 2.264 20 30 DEEDHO N#CCCCCN1CCC[C@@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001277952309 1084463344 /nfs/dbraw/zinc/46/33/44/1084463344.db2.gz XCMYDQKBSLAROH-GOSISDBHSA-N 1 3 315.465 2.365 20 30 DEEDHO N#CCCCCN1CCC[C@@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001277952309 1084463347 /nfs/dbraw/zinc/46/33/47/1084463347.db2.gz XCMYDQKBSLAROH-GOSISDBHSA-N 1 3 315.465 2.365 20 30 DEEDHO C=CCCCN1CC[C@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001235722016 1084513439 /nfs/dbraw/zinc/51/34/39/1084513439.db2.gz HZJORSRWQSWPFT-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001078626815 1084771734 /nfs/dbraw/zinc/77/17/34/1084771734.db2.gz UXVUXPSWGRWMRO-HOTGVXAUSA-N 1 3 319.493 2.454 20 30 DEEDHO C#CCN1CCC([C@H](C)NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001486451283 1085323065 /nfs/dbraw/zinc/32/30/65/1085323065.db2.gz YWYISQWGRIGEIN-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961235276 1085648639 /nfs/dbraw/zinc/64/86/39/1085648639.db2.gz WIILHMQBLPSRPL-HZPDHXFCSA-N 1 3 316.449 2.089 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961235276 1085648643 /nfs/dbraw/zinc/64/86/43/1085648643.db2.gz WIILHMQBLPSRPL-HZPDHXFCSA-N 1 3 316.449 2.089 20 30 DEEDHO C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCCN3CC)C2)C1 ZINC000965933252 1085700874 /nfs/dbraw/zinc/70/08/74/1085700874.db2.gz VPYKDNAZPGFBGJ-LMBQMVEXSA-N 1 3 305.466 2.064 20 30 DEEDHO C=C(C)C[N@@H+](C)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001494206707 1085835902 /nfs/dbraw/zinc/83/59/02/1085835902.db2.gz QUEZHFFRCAVREX-MRXNPFEDSA-N 1 3 307.482 2.075 20 30 DEEDHO C=C(C)C[N@H+](C)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001494206707 1085835911 /nfs/dbraw/zinc/83/59/11/1085835911.db2.gz QUEZHFFRCAVREX-MRXNPFEDSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CC[NH+]1CCC2(CCN(C(=O)CN3CCC[C@@H]3C)CC2)CC1 ZINC000957602595 1088450850 /nfs/dbraw/zinc/45/08/50/1088450850.db2.gz ASJTUQGTIMBXEY-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001079850140 1088475491 /nfs/dbraw/zinc/47/54/91/1088475491.db2.gz HLVSFUAOYOBWCL-KBAYOESNSA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001079850140 1088475497 /nfs/dbraw/zinc/47/54/97/1088475497.db2.gz HLVSFUAOYOBWCL-KBAYOESNSA-N 1 3 319.493 2.406 20 30 DEEDHO CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)N(C)C ZINC001114853369 1089212236 /nfs/dbraw/zinc/21/22/36/1089212236.db2.gz CRCNXLSOVBPGIC-VVLHAWIVSA-N 1 3 309.498 2.343 20 30 DEEDHO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)N(C)C ZINC001114853369 1089212247 /nfs/dbraw/zinc/21/22/47/1089212247.db2.gz CRCNXLSOVBPGIC-VVLHAWIVSA-N 1 3 309.498 2.343 20 30 DEEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101457 1090645820 /nfs/dbraw/zinc/64/58/20/1090645820.db2.gz LVCGPRAUTAIYDN-SQNIBIBYSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001488876974 1092818397 /nfs/dbraw/zinc/81/83/97/1092818397.db2.gz ZQDJJDYLDRONDJ-BPLDGKMQSA-N 1 3 304.438 2.100 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001281974665 1139836085 /nfs/dbraw/zinc/83/60/85/1139836085.db2.gz GKJPHYYOIJTEOG-ZWKOTPCHSA-N 1 3 321.509 2.465 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001281974665 1139836086 /nfs/dbraw/zinc/83/60/86/1139836086.db2.gz GKJPHYYOIJTEOG-ZWKOTPCHSA-N 1 3 321.509 2.465 20 30 DEEDHO C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001319779491 1140712504 /nfs/dbraw/zinc/71/25/04/1140712504.db2.gz UWKLSYDPYMMUHM-GJZGRUSLSA-N 1 3 315.889 2.440 20 30 DEEDHO C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@@H]1CCN[C@H](C)C1)CC2 ZINC001246730681 1141047090 /nfs/dbraw/zinc/04/70/90/1141047090.db2.gz AEHLSSKYPSUMFG-JFIYKMOQSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCN1C(=O)CC[C@@]12CCC[N@H+]([C@@H]1CCN[C@H](C)C1)CC2 ZINC001246730681 1141047098 /nfs/dbraw/zinc/04/70/98/1141047098.db2.gz AEHLSSKYPSUMFG-JFIYKMOQSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001278564617 1142178928 /nfs/dbraw/zinc/17/89/28/1142178928.db2.gz JLSRAWSFEKUJMQ-HZPDHXFCSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001278662480 1142694052 /nfs/dbraw/zinc/69/40/52/1142694052.db2.gz CGZYRANESALAND-WBVHZDCISA-N 1 3 313.461 2.071 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001278662480 1142694053 /nfs/dbraw/zinc/69/40/53/1142694053.db2.gz CGZYRANESALAND-WBVHZDCISA-N 1 3 313.461 2.071 20 30 DEEDHO C=CCCC[C@H]([NH3+])C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC001342382228 1143814514 /nfs/dbraw/zinc/81/45/14/1143814514.db2.gz ZXRSUMVXITULFE-HOTGVXAUSA-N 1 3 307.413 2.228 20 30 DEEDHO C=CCN1CCC(NC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC001263709533 1144390305 /nfs/dbraw/zinc/39/03/05/1144390305.db2.gz UADZZCUPPITIAZ-UHFFFAOYSA-N 1 3 322.497 2.199 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001265217518 1144669751 /nfs/dbraw/zinc/66/97/51/1144669751.db2.gz XUOMHIWIWDUHND-HOTGVXAUSA-N 1 3 313.461 2.213 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001265217518 1144669752 /nfs/dbraw/zinc/66/97/52/1144669752.db2.gz XUOMHIWIWDUHND-HOTGVXAUSA-N 1 3 313.461 2.213 20 30 DEEDHO C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](CC)N(C)C)CC1 ZINC001265333691 1144694910 /nfs/dbraw/zinc/69/49/10/1144694910.db2.gz BMLNRJIAOLPROC-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCC[N@H+](CC)CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001266042472 1144798604 /nfs/dbraw/zinc/79/86/04/1144798604.db2.gz CQBUEAYXIVDLEU-UHFFFAOYSA-N 1 3 307.482 2.102 20 30 DEEDHO C#CCC[N@@H+](CC)CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001266042472 1144798606 /nfs/dbraw/zinc/79/86/06/1144798606.db2.gz CQBUEAYXIVDLEU-UHFFFAOYSA-N 1 3 307.482 2.102 20 30 DEEDHO C=CCCCN1CC[C@@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001316598858 1144828240 /nfs/dbraw/zinc/82/82/40/1144828240.db2.gz KDFGYAIQGHKHJX-MRXNPFEDSA-N 1 3 305.466 2.114 20 30 DEEDHO C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001280889901 1144861489 /nfs/dbraw/zinc/86/14/89/1144861489.db2.gz RWFGWCPCJFCRJD-ZWKOTPCHSA-N 1 3 319.493 2.055 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001283077160 1145258289 /nfs/dbraw/zinc/25/82/89/1145258289.db2.gz ANLCUKHLZPYREV-ULQDDVLXSA-N 1 3 307.482 2.310 20 30 DEEDHO CCN1CCC([N@@H+]2CCCN([C@@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC001364739109 1145527198 /nfs/dbraw/zinc/52/71/98/1145527198.db2.gz XNEPUFYUTMGPIR-SJLPKXTDSA-N 1 3 304.482 2.171 20 30 DEEDHO CCN1CCC([N@H+]2CCCN([C@@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC001364739109 1145527204 /nfs/dbraw/zinc/52/72/04/1145527204.db2.gz XNEPUFYUTMGPIR-SJLPKXTDSA-N 1 3 304.482 2.171 20 30 DEEDHO CCCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001317330642 1147342005 /nfs/dbraw/zinc/34/20/05/1147342005.db2.gz MXXJZEKXHPQUIT-IAGOWNOFSA-N 1 3 309.498 2.489 20 30 DEEDHO C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001317673245 1147741779 /nfs/dbraw/zinc/74/17/79/1147741779.db2.gz BCKAJIUJYDKSPF-NVXWUHKLSA-N 1 3 307.482 2.264 20 30 DEEDHO CC[C@@H](CNC(=[NH2+])Nc1ccc(OC)c(OC)c1)N1CCCC1 ZINC000104166864 529444623 /nfs/dbraw/zinc/44/46/23/529444623.db2.gz OFCFGEZKFLAZFS-AWEZNQCLSA-N 1 3 320.437 2.305 20 30 DEEDHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1cccc(C#N)c1 ZINC000181705355 199341493 /nfs/dbraw/zinc/34/14/93/199341493.db2.gz HWNNAPBGHTYDLN-INIZCTEOSA-N 1 3 300.450 2.236 20 30 DEEDHO C=CCN1CCC(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000172185647 198054359 /nfs/dbraw/zinc/05/43/59/198054359.db2.gz SPDSZSOTAZCSNT-MRXNPFEDSA-N 1 3 324.513 2.302 20 30 DEEDHO C#CCN1CCC(C(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000050027363 354366146 /nfs/dbraw/zinc/36/61/46/354366146.db2.gz UXDBHBKCSWJAEZ-UHFFFAOYSA-N 1 3 319.493 2.102 20 30 DEEDHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000181500987 356083944 /nfs/dbraw/zinc/08/39/44/356083944.db2.gz XMKIEHLZOZNWER-HZPDHXFCSA-N 1 3 300.450 2.235 20 30 DEEDHO C=CC[C@@H](CO)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000680483943 542012088 /nfs/dbraw/zinc/01/20/88/542012088.db2.gz DQZHLSTUBPTROE-KRWDZBQOSA-N 1 3 317.477 2.244 20 30 DEEDHO C=CC[C@@H](CO)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000680483943 542012091 /nfs/dbraw/zinc/01/20/91/542012091.db2.gz DQZHLSTUBPTROE-KRWDZBQOSA-N 1 3 317.477 2.244 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000106263485 402212774 /nfs/dbraw/zinc/21/27/74/402212774.db2.gz QLELFPJYIJOBMN-INIZCTEOSA-N 1 3 322.497 2.058 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000106263485 402212775 /nfs/dbraw/zinc/21/27/75/402212775.db2.gz QLELFPJYIJOBMN-INIZCTEOSA-N 1 3 322.497 2.058 20 30 DEEDHO C=CC[C@H](CO)[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000186687671 402455423 /nfs/dbraw/zinc/45/54/23/402455423.db2.gz BEHRQUXHXZLWQE-RDGPPVDQSA-N 1 3 300.446 2.424 20 30 DEEDHO COc1ccccc1CNC(=[NH2+])NC[C@H](C(C)C)N1CCCC1 ZINC000170910367 402540628 /nfs/dbraw/zinc/54/06/28/402540628.db2.gz NEQFLXIERKHAII-MRXNPFEDSA-N 1 3 318.465 2.220 20 30 DEEDHO Cn1cc(C[NH2+]CC2=CCN(C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000272133624 402901324 /nfs/dbraw/zinc/90/13/24/402901324.db2.gz ATHMWVCGSWWRLV-UHFFFAOYSA-N 1 3 321.428 2.310 20 30 DEEDHO Cn1cc(CNCC2=CC[N@H+](C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000272133624 402901326 /nfs/dbraw/zinc/90/13/26/402901326.db2.gz ATHMWVCGSWWRLV-UHFFFAOYSA-N 1 3 321.428 2.310 20 30 DEEDHO Cn1cc(CNCC2=CC[N@@H+](C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000272133624 402901329 /nfs/dbraw/zinc/90/13/29/402901329.db2.gz ATHMWVCGSWWRLV-UHFFFAOYSA-N 1 3 321.428 2.310 20 30 DEEDHO C[NH+]1CCC(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279664339 402960576 /nfs/dbraw/zinc/96/05/76/402960576.db2.gz ZBLKZXPCMQGULO-GOSISDBHSA-N 1 3 324.428 2.089 20 30 DEEDHO CC(C)[N@H+](C)CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280916282 403049641 /nfs/dbraw/zinc/04/96/41/403049641.db2.gz UUKLVVCVTUKBBQ-KRWDZBQOSA-N 1 3 312.417 2.087 20 30 DEEDHO CC(C)[N@@H+](C)CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280916282 403049643 /nfs/dbraw/zinc/04/96/43/403049643.db2.gz UUKLVVCVTUKBBQ-KRWDZBQOSA-N 1 3 312.417 2.087 20 30 DEEDHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281063866 403057600 /nfs/dbraw/zinc/05/76/00/403057600.db2.gz ZEVCSULIRSWDDT-ROUUACIJSA-N 1 3 324.428 2.041 20 30 DEEDHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281063866 403057601 /nfs/dbraw/zinc/05/76/01/403057601.db2.gz ZEVCSULIRSWDDT-ROUUACIJSA-N 1 3 324.428 2.041 20 30 DEEDHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000282421525 403152249 /nfs/dbraw/zinc/15/22/49/403152249.db2.gz SQJZPGJMAZOUEW-HNNXBMFYSA-N 1 3 300.450 2.235 20 30 DEEDHO C#CCN1CCC(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)CC1 ZINC000270375626 403185269 /nfs/dbraw/zinc/18/52/69/403185269.db2.gz LHGFABLWGTVYTE-UHFFFAOYSA-N 1 3 313.445 2.340 20 30 DEEDHO CC(C)N1CCN(C2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC000339057959 403338897 /nfs/dbraw/zinc/33/88/97/403338897.db2.gz JSKMHFFUGHIUGQ-FUHWJXTLSA-N 1 3 304.482 2.169 20 30 DEEDHO CC[NH+](CC)CCOc1ccc(CNC(=O)C(C)C#N)cc1 ZINC000347117490 403616218 /nfs/dbraw/zinc/61/62/18/403616218.db2.gz UPUBOQYJGZTMHV-CQSZACIVSA-N 1 3 303.406 2.183 20 30 DEEDHO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000343922853 403793204 /nfs/dbraw/zinc/79/32/04/403793204.db2.gz LEYJNNIKSRXOLY-APWZRJJASA-N 1 3 312.461 2.016 20 30 DEEDHO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000343922853 403793209 /nfs/dbraw/zinc/79/32/09/403793209.db2.gz LEYJNNIKSRXOLY-APWZRJJASA-N 1 3 312.461 2.016 20 30 DEEDHO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCNC(C)(C)C1)C(C)C ZINC000417063874 405024704 /nfs/dbraw/zinc/02/47/04/405024704.db2.gz NXVLGHPHWRXGNB-INIZCTEOSA-N 1 3 322.497 2.078 20 30 DEEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCNC(C)(C)C1)C(C)C ZINC000417063876 405024894 /nfs/dbraw/zinc/02/48/94/405024894.db2.gz NXVLGHPHWRXGNB-MRXNPFEDSA-N 1 3 322.497 2.078 20 30 DEEDHO C=CCN1CCC([NH2+][C@H]2CCN(CCCOCC)C[C@H]2C)CC1 ZINC000361226920 404983152 /nfs/dbraw/zinc/98/31/52/404983152.db2.gz DFQCPNHLSDAQFU-MJGOQNOKSA-N 1 3 323.525 2.363 20 30 DEEDHO C=CCn1c(CCN2CCCCC2)nnc1SCC[NH+](C)C ZINC000354166818 405079672 /nfs/dbraw/zinc/07/96/72/405079672.db2.gz MXLAZSHIVHKEPD-UHFFFAOYSA-N 1 3 323.510 2.146 20 30 DEEDHO N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CCCNC3)CC2)cc1 ZINC000423206021 405723106 /nfs/dbraw/zinc/72/31/06/405723106.db2.gz FOXNTEXQYYZCHK-SFHVURJKSA-N 1 3 312.461 2.112 20 30 DEEDHO C[NH+](C)CC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000330981815 226049011 /nfs/dbraw/zinc/04/90/11/226049011.db2.gz HFQIJEYOCUXNAZ-SFHVURJKSA-N 1 3 324.428 2.041 20 30 DEEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000661117514 425327391 /nfs/dbraw/zinc/32/73/91/425327391.db2.gz REUQHRYCHAHKTG-CRAIPNDOSA-N 1 3 319.493 2.454 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)C(C)C ZINC000653110490 425407829 /nfs/dbraw/zinc/40/78/29/425407829.db2.gz KGXNYFFMOLDUSM-RCCFBDPRSA-N 1 3 319.493 2.332 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)NCC1([NH3+])CCCC1)C(C)C ZINC000659437021 425603234 /nfs/dbraw/zinc/60/32/34/425603234.db2.gz YHKUDGGLWNWCJK-INIZCTEOSA-N 1 3 322.497 2.256 20 30 DEEDHO C=CC[C@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)CCC[NH2+]1 ZINC000662792633 425736700 /nfs/dbraw/zinc/73/67/00/425736700.db2.gz GRQHGOHBUKJGOV-SOLBZPMBSA-N 1 3 305.466 2.158 20 30 DEEDHO C=CC[C@@]1(C(=O)NCCCN(C)Cc2ccccc2)CCC[NH2+]1 ZINC000662669324 425707647 /nfs/dbraw/zinc/70/76/47/425707647.db2.gz PUHJGNUECDUNRI-IBGZPJMESA-N 1 3 315.461 2.323 20 30 DEEDHO C=CC[C@]1(C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)CCC[NH2+]1 ZINC000662695974 425715257 /nfs/dbraw/zinc/71/52/57/425715257.db2.gz RSJINNMWRNHOKJ-LISAXSMJSA-N 1 3 307.482 2.167 20 30 DEEDHO CCN1CCN(CCC[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353416126 276195076 /nfs/dbraw/zinc/19/50/76/276195076.db2.gz XCUJFVUQSSZSOS-IBGZPJMESA-N 1 3 312.461 2.163 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCC[NH2+][C@@H]1C)C(C)C ZINC000342766491 277852332 /nfs/dbraw/zinc/85/23/32/277852332.db2.gz VLMBJAUKKFIHEB-IXDOHACOSA-N 1 3 307.482 2.189 20 30 DEEDHO C[NH+]=C(NCc1sccc1C)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000261995999 526393602 /nfs/dbraw/zinc/39/36/02/526393602.db2.gz SLAHEKBOPRNRLR-KBPBESRZSA-N 1 3 308.495 2.450 20 30 DEEDHO CC[NH+]=C(NCC1CCSCC1)NC1CCN(C2CC2)CC1 ZINC000262777630 528804951 /nfs/dbraw/zinc/80/49/51/528804951.db2.gz KIYGEHKLJOGMLR-UHFFFAOYSA-N 1 3 324.538 2.312 20 30 DEEDHO C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC000969648412 622863755 /nfs/dbraw/zinc/86/37/55/622863755.db2.gz JNEGXPMHUMRZTF-DOTOQJQBSA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001027693683 634447976 /nfs/dbraw/zinc/44/79/76/634447976.db2.gz GKEUVCPEZVKOBZ-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001027693683 634447977 /nfs/dbraw/zinc/44/79/77/634447977.db2.gz GKEUVCPEZVKOBZ-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001027693684 634448116 /nfs/dbraw/zinc/44/81/16/634448116.db2.gz GKEUVCPEZVKOBZ-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001027693684 634448118 /nfs/dbraw/zinc/44/81/18/634448118.db2.gz GKEUVCPEZVKOBZ-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518371 634507674 /nfs/dbraw/zinc/50/76/74/634507674.db2.gz RPVOQANVJUGUIN-KSZLIROESA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518371 634507676 /nfs/dbraw/zinc/50/76/76/634507676.db2.gz RPVOQANVJUGUIN-KSZLIROESA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001027919017 634965976 /nfs/dbraw/zinc/96/59/76/634965976.db2.gz SFAOGQAXQRMTOR-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001027919017 634965979 /nfs/dbraw/zinc/96/59/79/634965979.db2.gz SFAOGQAXQRMTOR-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000980472659 635013767 /nfs/dbraw/zinc/01/37/67/635013767.db2.gz VZIOHOZKVGPARH-SFHVURJKSA-N 1 3 315.461 2.471 20 30 DEEDHO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000980472659 635013771 /nfs/dbraw/zinc/01/37/71/635013771.db2.gz VZIOHOZKVGPARH-SFHVURJKSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001000680353 635274774 /nfs/dbraw/zinc/27/47/74/635274774.db2.gz UVNDXMNJWCEXAB-QGZVFWFLSA-N 1 3 305.466 2.184 20 30 DEEDHO C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001000680353 635274782 /nfs/dbraw/zinc/27/47/82/635274782.db2.gz UVNDXMNJWCEXAB-QGZVFWFLSA-N 1 3 305.466 2.184 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000981269144 635416396 /nfs/dbraw/zinc/41/63/96/635416396.db2.gz UHPKFBVAWDHFIX-HZPDHXFCSA-N 1 3 307.482 2.454 20 30 DEEDHO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC000981827989 635674267 /nfs/dbraw/zinc/67/42/67/635674267.db2.gz VLGCFUQQQOBDCL-KRWDZBQOSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC000981827989 635674271 /nfs/dbraw/zinc/67/42/71/635674271.db2.gz VLGCFUQQQOBDCL-KRWDZBQOSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC000981841420 635683352 /nfs/dbraw/zinc/68/33/52/635683352.db2.gz BZAWXNOSCFCHMR-IAGOWNOFSA-N 1 3 317.477 2.114 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC000981841420 635683355 /nfs/dbraw/zinc/68/33/55/635683355.db2.gz BZAWXNOSCFCHMR-IAGOWNOFSA-N 1 3 317.477 2.114 20 30 DEEDHO C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC000981992059 635796497 /nfs/dbraw/zinc/79/64/97/635796497.db2.gz QITHMLGOIVDBES-MRXNPFEDSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC000981992059 635796499 /nfs/dbraw/zinc/79/64/99/635796499.db2.gz QITHMLGOIVDBES-MRXNPFEDSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCCN1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000982152026 635891674 /nfs/dbraw/zinc/89/16/74/635891674.db2.gz PZOTVUGZFZOTIR-IAGOWNOFSA-N 1 3 305.466 2.114 20 30 DEEDHO C=CCCN1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000982152026 635891678 /nfs/dbraw/zinc/89/16/78/635891678.db2.gz PZOTVUGZFZOTIR-IAGOWNOFSA-N 1 3 305.466 2.114 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@@]2(C)C1 ZINC000982295708 635954124 /nfs/dbraw/zinc/95/41/24/635954124.db2.gz BKPUJGHLOBXUGD-HDICACEKSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@@]2(C)C1 ZINC000982295708 635954127 /nfs/dbraw/zinc/95/41/27/635954127.db2.gz BKPUJGHLOBXUGD-HDICACEKSA-N 1 3 319.493 2.217 20 30 DEEDHO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001004473792 636464184 /nfs/dbraw/zinc/46/41/84/636464184.db2.gz LSZMOAVABCFNAI-MSOLQXFVSA-N 1 3 319.493 2.053 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001004473792 636464189 /nfs/dbraw/zinc/46/41/89/636464189.db2.gz LSZMOAVABCFNAI-MSOLQXFVSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001005586040 636789533 /nfs/dbraw/zinc/78/95/33/636789533.db2.gz UKBOUWDRVJLTIC-DLBZAZTESA-N 1 3 305.466 2.112 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001005586040 636789538 /nfs/dbraw/zinc/78/95/38/636789538.db2.gz UKBOUWDRVJLTIC-DLBZAZTESA-N 1 3 305.466 2.112 20 30 DEEDHO C#CCN1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000948711905 636801589 /nfs/dbraw/zinc/80/15/89/636801589.db2.gz WTIGNUBTDSGAOM-ROUUACIJSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCN1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000948711905 636801591 /nfs/dbraw/zinc/80/15/91/636801591.db2.gz WTIGNUBTDSGAOM-ROUUACIJSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCN1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000948711903 636801725 /nfs/dbraw/zinc/80/17/25/636801725.db2.gz WTIGNUBTDSGAOM-MSOLQXFVSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCN1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000948711903 636801727 /nfs/dbraw/zinc/80/17/27/636801727.db2.gz WTIGNUBTDSGAOM-MSOLQXFVSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001005641150 636803491 /nfs/dbraw/zinc/80/34/91/636803491.db2.gz YKPYKUFEDJQZOO-KRWDZBQOSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001005641150 636803496 /nfs/dbraw/zinc/80/34/96/636803496.db2.gz YKPYKUFEDJQZOO-KRWDZBQOSA-N 1 3 307.482 2.216 20 30 DEEDHO C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001028918330 636849866 /nfs/dbraw/zinc/84/98/66/636849866.db2.gz FGITZAQVBQJNRD-MSOLQXFVSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001028918330 636849868 /nfs/dbraw/zinc/84/98/68/636849868.db2.gz FGITZAQVBQJNRD-MSOLQXFVSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CCN1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001028919362 636853405 /nfs/dbraw/zinc/85/34/05/636853405.db2.gz UOOHWMZEERBNAF-QZTJIDSGSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CCN1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028919362 636853408 /nfs/dbraw/zinc/85/34/08/636853408.db2.gz UOOHWMZEERBNAF-QZTJIDSGSA-N 1 3 319.493 2.102 20 30 DEEDHO CC(C)(C)[C@@]1(C[NH3+])CCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000923413225 637166762 /nfs/dbraw/zinc/16/67/62/637166762.db2.gz FAQPFEJXLBBZOY-FUHWJXTLSA-N 1 3 301.434 2.289 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000764454848 640638345 /nfs/dbraw/zinc/63/83/45/640638345.db2.gz ADMQCRQWRSRCRP-SFHVURJKSA-N 1 3 315.461 2.275 20 30 DEEDHO C=CCN1CCC(NC(NCc2nc(C)c(C)s2)=[NH+]C)CC1 ZINC000089062160 641307602 /nfs/dbraw/zinc/30/76/02/641307602.db2.gz QBZZKKYWEVDUGW-UHFFFAOYSA-N 1 3 321.494 2.075 20 30 DEEDHO C=CCN1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CCC[C@@H]12 ZINC000991044981 643621283 /nfs/dbraw/zinc/62/12/83/643621283.db2.gz SENJBIKSXWOVBZ-ZHALLVOQSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCN1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CCC[C@@H]12 ZINC000991044981 643621286 /nfs/dbraw/zinc/62/12/86/643621286.db2.gz SENJBIKSXWOVBZ-ZHALLVOQSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]21 ZINC000992821441 647281543 /nfs/dbraw/zinc/28/15/43/647281543.db2.gz VJLQGDWTRGUZIM-YESZJQIVSA-N 1 3 319.493 2.121 20 30 DEEDHO CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c1 ZINC000817919748 647382214 /nfs/dbraw/zinc/38/22/14/647382214.db2.gz VTVWNUUMPXKDBM-LFVTVUPYSA-N 1 3 317.433 2.209 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1c(C)cccc1C ZINC000153437703 647462213 /nfs/dbraw/zinc/46/22/13/647462213.db2.gz QHCLFNPBZFQBLR-INIZCTEOSA-N 1 3 302.466 2.235 20 30 DEEDHO CC#CCN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940736142 648934982 /nfs/dbraw/zinc/93/49/82/648934982.db2.gz AGUHQUWOGXOREE-SJORKVTESA-N 1 3 319.493 2.099 20 30 DEEDHO CC#CCN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940736142 648934983 /nfs/dbraw/zinc/93/49/83/648934983.db2.gz AGUHQUWOGXOREE-SJORKVTESA-N 1 3 319.493 2.099 20 30 DEEDHO C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC000940944327 648975016 /nfs/dbraw/zinc/97/50/16/648975016.db2.gz QRYFHBAXHJNJJJ-INIZCTEOSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC000940944327 648975018 /nfs/dbraw/zinc/97/50/18/648975018.db2.gz QRYFHBAXHJNJJJ-INIZCTEOSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000948575172 649650488 /nfs/dbraw/zinc/65/04/88/649650488.db2.gz QTELGCVOYWXCBD-ROUUACIJSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCN1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948575172 649650490 /nfs/dbraw/zinc/65/04/90/649650490.db2.gz QTELGCVOYWXCBD-ROUUACIJSA-N 1 3 319.493 2.053 20 30 DEEDHO CC(C)(C#N)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849017474 651583949 /nfs/dbraw/zinc/58/39/49/651583949.db2.gz YKPAXIJTYLJUJA-UHFFFAOYSA-N 1 3 313.449 2.315 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Oc1cccc(C)c1 ZINC000304792567 685262265 /nfs/dbraw/zinc/26/22/65/685262265.db2.gz LCKWDTWOJWNUNG-JKSUJKDBSA-N 1 3 318.465 2.151 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(C)cc1C ZINC000104176787 684058245 /nfs/dbraw/zinc/05/82/45/684058245.db2.gz LOHFNXRVNNSZIN-KRWDZBQOSA-N 1 3 302.466 2.235 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000104154002 684058472 /nfs/dbraw/zinc/05/84/72/684058472.db2.gz XVCGZEBVPGZWIO-AWEZNQCLSA-N 1 3 318.421 2.059 20 30 DEEDHO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001054148711 693863237 /nfs/dbraw/zinc/86/32/37/693863237.db2.gz USJKRABTFOKSFJ-WMZOPIPTSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001054148711 693863242 /nfs/dbraw/zinc/86/32/42/693863242.db2.gz USJKRABTFOKSFJ-WMZOPIPTSA-N 1 3 307.482 2.073 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(F)c(Cl)c1 ZINC000303784026 685234305 /nfs/dbraw/zinc/23/43/05/685234305.db2.gz OWVAVGVULMLMNE-GFCCVEGCSA-N 1 3 312.820 2.368 20 30 DEEDHO C[C@H](CNC(=[NH2+])NCCc1ccccc1)N1CCCC[C@@H]1C ZINC000303877673 685236580 /nfs/dbraw/zinc/23/65/80/685236580.db2.gz FMYSXLPBUNEIHA-JKSUJKDBSA-N 1 3 302.466 2.396 20 30 DEEDHO CC[C@@H](C)N(C)CCNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000303975222 685241103 /nfs/dbraw/zinc/24/11/03/685241103.db2.gz IVVRMNRGHPWFGB-GFCCVEGCSA-N 1 3 308.426 2.161 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001054646674 694014975 /nfs/dbraw/zinc/01/49/75/694014975.db2.gz CIQJQWPXZLTNBV-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001016761550 687697311 /nfs/dbraw/zinc/69/73/11/687697311.db2.gz MSUOHTWWRWQJKH-OAHLLOKOSA-N 1 3 305.466 2.018 20 30 DEEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001032454502 689155615 /nfs/dbraw/zinc/15/56/15/689155615.db2.gz VJTPFEVXOHONLY-ULQDDVLXSA-N 1 3 305.466 2.112 20 30 DEEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001032454502 689155619 /nfs/dbraw/zinc/15/56/19/689155619.db2.gz VJTPFEVXOHONLY-ULQDDVLXSA-N 1 3 305.466 2.112 20 30 DEEDHO C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033143817 689402496 /nfs/dbraw/zinc/40/24/96/689402496.db2.gz MJXALEGFYZKLRV-SJORKVTESA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033143817 689402500 /nfs/dbraw/zinc/40/25/00/689402500.db2.gz MJXALEGFYZKLRV-SJORKVTESA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2CCCCCC2)C1 ZINC001033466012 689510832 /nfs/dbraw/zinc/51/08/32/689510832.db2.gz BNUVRYXPRKKONL-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2CCCCCC2)C1 ZINC001033466012 689510837 /nfs/dbraw/zinc/51/08/37/689510837.db2.gz BNUVRYXPRKKONL-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001034241463 689777616 /nfs/dbraw/zinc/77/76/16/689777616.db2.gz XVZGZXVPZINEHI-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001034241463 689777619 /nfs/dbraw/zinc/77/76/19/689777619.db2.gz XVZGZXVPZINEHI-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000876523705 689845986 /nfs/dbraw/zinc/84/59/86/689845986.db2.gz BIWSFXQBBXHSNU-LSDHHAIUSA-N 1 3 309.841 2.396 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000876711933 689912104 /nfs/dbraw/zinc/91/21/04/689912104.db2.gz JIPIXHCVVUEZFQ-HNNXBMFYSA-N 1 3 309.841 2.095 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000876711933 689912109 /nfs/dbraw/zinc/91/21/09/689912109.db2.gz JIPIXHCVVUEZFQ-HNNXBMFYSA-N 1 3 309.841 2.095 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000876731678 689918940 /nfs/dbraw/zinc/91/89/40/689918940.db2.gz MZKXCVYOWLUDSB-AWEZNQCLSA-N 1 3 301.862 2.035 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000876731678 689918945 /nfs/dbraw/zinc/91/89/45/689918945.db2.gz 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ZINC001038700204 690900939 /nfs/dbraw/zinc/90/09/39/690900939.db2.gz PLXRGSJCJHVNBX-GOSISDBHSA-N 1 3 315.461 2.171 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039163559 691036508 /nfs/dbraw/zinc/03/65/08/691036508.db2.gz CPMQTBTVJZDCAG-SJLPKXTDSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039163559 691036510 /nfs/dbraw/zinc/03/65/10/691036510.db2.gz CPMQTBTVJZDCAG-SJLPKXTDSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001040849430 691292749 /nfs/dbraw/zinc/29/27/49/691292749.db2.gz REVIFXUYEHTODR-QGZVFWFLSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001041675727 691408430 /nfs/dbraw/zinc/40/84/30/691408430.db2.gz RQQFFWVQBUPGHQ-MJGOQNOKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001041675727 691408433 /nfs/dbraw/zinc/40/84/33/691408433.db2.gz RQQFFWVQBUPGHQ-MJGOQNOKSA-N 1 3 319.493 2.361 20 30 DEEDHO CC#CCN1CCC(C)(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001045619373 692006645 /nfs/dbraw/zinc/00/66/45/692006645.db2.gz FJFDGWLNIHOKPB-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@H]2C1 ZINC001049234054 692796734 /nfs/dbraw/zinc/79/67/34/692796734.db2.gz XJIUIYVKOZCUIG-FGTMMUONSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@H]2C1 ZINC001049234054 692796737 /nfs/dbraw/zinc/79/67/37/692796737.db2.gz XJIUIYVKOZCUIG-FGTMMUONSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001049568764 692924812 /nfs/dbraw/zinc/92/48/12/692924812.db2.gz WERSTRCQAFESDE-KZNAEPCWSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001049568764 692924818 /nfs/dbraw/zinc/92/48/18/692924818.db2.gz WERSTRCQAFESDE-KZNAEPCWSA-N 1 3 319.493 2.358 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001052765437 693615837 /nfs/dbraw/zinc/61/58/37/693615837.db2.gz ZKBHPALONZORGS-ZWKOTPCHSA-N 1 3 319.493 2.243 20 30 DEEDHO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001052765437 693615840 /nfs/dbraw/zinc/61/58/40/693615840.db2.gz ZKBHPALONZORGS-ZWKOTPCHSA-N 1 3 319.493 2.243 20 30 DEEDHO CCCCCCCC[C@H]([NH3+])C(=O)Nc1nn(C)c(C)c1CN ZINC001343967331 1150789153 /nfs/dbraw/zinc/78/91/53/1150789153.db2.gz ODEIWJZLFJAMOS-AWEZNQCLSA-N 1 3 309.458 2.204 20 30 DEEDHO C=C(Cl)C[NH2+]C1(C)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001402782979 1162470948 /nfs/dbraw/zinc/47/09/48/1162470948.db2.gz PHPCLRZUNAEZOU-UHFFFAOYSA-N 1 3 301.862 2.050 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)CN(C)CCC)CC1 ZINC001391834934 1156812757 /nfs/dbraw/zinc/81/27/57/1156812757.db2.gz UVWKWBXJMYXUNR-HDJSIYSDSA-N 1 3 301.862 2.098 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001397140639 1160015523 /nfs/dbraw/zinc/01/55/23/1160015523.db2.gz NNRHSNQMTWZKMD-SHTZXODSSA-N 1 3 313.873 2.099 20 30 DEEDHO C=C(Cl)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C2 ZINC001407524719 1165181470 /nfs/dbraw/zinc/18/14/70/1165181470.db2.gz AGJCLKGTCMSFOA-QDMKHBRRSA-N 1 3 313.873 2.050 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001438771288 1180808597 /nfs/dbraw/zinc/80/85/97/1180808597.db2.gz PJJDFDWRATYUMZ-LSDHHAIUSA-N 1 3 315.889 2.296 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001106665109 782839642 /nfs/dbraw/zinc/83/96/42/782839642.db2.gz IKAUUVKOKMSUCP-IXDOHACOSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CC[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167233006 776785979 /nfs/dbraw/zinc/78/59/79/776785979.db2.gz XSVMFQZUPINEKB-MRXNPFEDSA-N 1 3 307.482 2.171 20 30 DEEDHO C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001104679704 778017616 /nfs/dbraw/zinc/01/76/16/778017616.db2.gz MTEKCSXXLOKERA-KZNAEPCWSA-N 1 3 321.509 2.369 20 30 DEEDHO C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001104809860 778191826 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30 DEEDHO C=CCCC[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CC[C@@H]1C ZINC001133181867 788308214 /nfs/dbraw/zinc/30/82/14/788308214.db2.gz JXUCZRFLJWAPGG-IRXDYDNUSA-N 1 3 309.498 2.369 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1C ZINC001133194545 788313618 /nfs/dbraw/zinc/31/36/18/788313618.db2.gz HFXSFOZNTPHHSG-MSOLQXFVSA-N 1 3 321.509 2.369 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC(=C)C)CC1 ZINC001146612053 791322486 /nfs/dbraw/zinc/32/24/86/791322486.db2.gz PDHSWMFUUGNLLM-IRXDYDNUSA-N 1 3 319.493 2.171 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC=C(C)C)CC1 ZINC001146613966 791324157 /nfs/dbraw/zinc/32/41/57/791324157.db2.gz WBBNOZYZYHLIGV-IRXDYDNUSA-N 1 3 319.493 2.171 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001148226512 791715740 /nfs/dbraw/zinc/71/57/40/791715740.db2.gz HQVPMWMFXMAJRX-IAGOWNOFSA-N 1 3 321.509 2.462 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001148226512 791715750 /nfs/dbraw/zinc/71/57/50/791715750.db2.gz HQVPMWMFXMAJRX-IAGOWNOFSA-N 1 3 321.509 2.462 20 30 DEEDHO C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001093025063 792204548 /nfs/dbraw/zinc/20/45/48/792204548.db2.gz PJWFGBRBYGVCAF-ZACQAIPSSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001093025063 792204555 /nfs/dbraw/zinc/20/45/55/792204555.db2.gz PJWFGBRBYGVCAF-ZACQAIPSSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)CCC ZINC001099551890 792239642 /nfs/dbraw/zinc/23/96/42/792239642.db2.gz FRTXRIHMASDQBV-MHORFTMASA-N 1 3 319.493 2.073 20 30 DEEDHO C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)CCC ZINC001099551890 792239653 /nfs/dbraw/zinc/23/96/53/792239653.db2.gz FRTXRIHMASDQBV-MHORFTMASA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001101272553 793092938 /nfs/dbraw/zinc/09/29/38/793092938.db2.gz QXYVPZIJVPLEMW-AOIWGVFYSA-N 1 3 321.509 2.319 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001101272553 793092948 /nfs/dbraw/zinc/09/29/48/793092948.db2.gz QXYVPZIJVPLEMW-AOIWGVFYSA-N 1 3 321.509 2.319 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001101353061 793132606 /nfs/dbraw/zinc/13/26/06/793132606.db2.gz QXYVPZIJVPLEMW-LMMKCTJWSA-N 1 3 321.509 2.319 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001101353061 793132610 /nfs/dbraw/zinc/13/26/10/793132610.db2.gz QXYVPZIJVPLEMW-LMMKCTJWSA-N 1 3 321.509 2.319 20 30 DEEDHO C=C(C)CC[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001206275716 794449237 /nfs/dbraw/zinc/44/92/37/794449237.db2.gz ZHPQHOSCHXKEJE-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CCC ZINC001115161349 794693038 /nfs/dbraw/zinc/69/30/38/794693038.db2.gz CXROZNXWUSKDCT-VQFNDLOPSA-N 1 3 309.498 2.345 20 30 DEEDHO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CCC ZINC001115161349 794693042 /nfs/dbraw/zinc/69/30/42/794693042.db2.gz CXROZNXWUSKDCT-VQFNDLOPSA-N 1 3 309.498 2.345 20 30 DEEDHO C#CC[NH2+]C1(CNC(=O)[C@@H](C)N2CCCCCC2)CCCCC1 ZINC001115759994 794910563 /nfs/dbraw/zinc/91/05/63/794910563.db2.gz IEHZJHAXZFCXJL-QGZVFWFLSA-N 1 3 319.493 2.293 20 30 DEEDHO C#CC[NH2+]C1CC2(CC(NC(=O)CN(C)CCCCCC)C2)C1 ZINC001121915050 795703127 /nfs/dbraw/zinc/70/31/27/795703127.db2.gz AMYMXMBFFYZQAK-UHFFFAOYSA-N 1 3 319.493 2.149 20 30 DEEDHO CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001183268296 795843430 /nfs/dbraw/zinc/84/34/30/795843430.db2.gz SOEJIGASHFUNHB-SJORKVTESA-N 1 3 309.498 2.488 20 30 DEEDHO CC#CC[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001185168697 796201193 /nfs/dbraw/zinc/20/11/93/796201193.db2.gz IUYQPJYXAZSJHG-IAGOWNOFSA-N 1 3 321.509 2.062 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)c1cccc(CN(C)C)c1 ZINC001152245493 797162094 /nfs/dbraw/zinc/16/20/94/797162094.db2.gz HYXOWLPCOORTFR-OAHLLOKOSA-N 1 3 303.450 2.422 20 30 DEEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)c1ccccc1CN(C)C ZINC001152393367 797182724 /nfs/dbraw/zinc/18/27/24/797182724.db2.gz KCLHDRPTAOEGBL-HNNXBMFYSA-N 1 3 303.450 2.422 20 30 DEEDHO CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192560493 797406736 /nfs/dbraw/zinc/40/67/36/797406736.db2.gz QBADXMQTZZCRQO-MRXNPFEDSA-N 1 3 306.454 2.455 20 30 DEEDHO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192560493 797406739 /nfs/dbraw/zinc/40/67/39/797406739.db2.gz QBADXMQTZZCRQO-MRXNPFEDSA-N 1 3 306.454 2.455 20 30 DEEDHO CC#CCN(CC)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001154099460 797462971 /nfs/dbraw/zinc/46/29/71/797462971.db2.gz KDDUEINLOYJMAC-MRXNPFEDSA-N 1 3 321.509 2.489 20 30 DEEDHO CC#CCN(CC)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001154099460 797462974 /nfs/dbraw/zinc/46/29/74/797462974.db2.gz KDDUEINLOYJMAC-MRXNPFEDSA-N 1 3 321.509 2.489 20 30 DEEDHO CSc1nc(CN2CC[C@H](C)[C@@H](C[NH3+])CC2)ccc1C#N ZINC001205627578 797538261 /nfs/dbraw/zinc/53/82/61/797538261.db2.gz QXQVFGPOIXQZAY-QWHCGFSZSA-N 1 3 304.463 2.482 20 30 DEEDHO C=CC[N@@H+](CC)[C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001157098594 798143080 /nfs/dbraw/zinc/14/30/80/798143080.db2.gz NKVIYXDIDITFHI-OAHLLOKOSA-N 1 3 303.450 2.374 20 30 DEEDHO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001157098594 798143081 /nfs/dbraw/zinc/14/30/81/798143081.db2.gz NKVIYXDIDITFHI-OAHLLOKOSA-N 1 3 303.450 2.374 20 30 DEEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001158378114 798397749 /nfs/dbraw/zinc/39/77/49/798397749.db2.gz YCAZSCQWBVLMKQ-YESZJQIVSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001158378114 798397755 /nfs/dbraw/zinc/39/77/55/798397755.db2.gz YCAZSCQWBVLMKQ-YESZJQIVSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159628220 798591068 /nfs/dbraw/zinc/59/10/68/798591068.db2.gz FWYJJDKHIBUUNJ-QGZVFWFLSA-N 1 3 305.466 2.185 20 30 DEEDHO C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159628220 798591072 /nfs/dbraw/zinc/59/10/72/798591072.db2.gz FWYJJDKHIBUUNJ-QGZVFWFLSA-N 1 3 305.466 2.185 20 30 DEEDHO CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114406967 799090679 /nfs/dbraw/zinc/09/06/79/799090679.db2.gz OCMHGLFJNOGCIV-FVQHAEBGSA-N 1 3 321.509 2.488 20 30 DEEDHO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114406967 799090684 /nfs/dbraw/zinc/09/06/84/799090684.db2.gz OCMHGLFJNOGCIV-FVQHAEBGSA-N 1 3 321.509 2.488 20 30 DEEDHO C=C(Cl)CNCCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001163268023 799292457 /nfs/dbraw/zinc/29/24/57/799292457.db2.gz XRQFFLGWYVGSIU-UHFFFAOYSA-N 1 3 315.889 2.489 20 30 DEEDHO C=C(Cl)CNCCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001163268023 799292461 /nfs/dbraw/zinc/29/24/61/799292461.db2.gz XRQFFLGWYVGSIU-UHFFFAOYSA-N 1 3 315.889 2.489 20 30 DEEDHO C=C(C)CC[NH2+]CC1(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001165465211 799734371 /nfs/dbraw/zinc/73/43/71/799734371.db2.gz XRKXLRBRDOZGMF-UHFFFAOYSA-N 1 3 307.482 2.313 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203791397 800123778 /nfs/dbraw/zinc/12/37/78/800123778.db2.gz IEIQGUUFMCRAGC-HZPDHXFCSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCC[C@H](C)[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001229186523 801238955 /nfs/dbraw/zinc/23/89/55/801238955.db2.gz XMIFWLLCZJXZMM-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO CC#CCN[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211261840 801539546 /nfs/dbraw/zinc/53/95/46/801539546.db2.gz DULSPLYNIDTZLR-MSOLQXFVSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215564009 801877242 /nfs/dbraw/zinc/87/72/42/801877242.db2.gz XDUHHRYDBATFEO-HZPDHXFCSA-N 1 3 309.498 2.367 20 30 DEEDHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc2c(C#N)c[nH]c2c1 ZINC001219044750 802277591 /nfs/dbraw/zinc/27/75/91/802277591.db2.gz JUYGSFXAFURWQJ-HNNXBMFYSA-N 1 3 313.405 2.037 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](F)CN(CC)CC ZINC001234644365 802439584 /nfs/dbraw/zinc/43/95/84/802439584.db2.gz TXYDXQDAODNQQZ-HZPDHXFCSA-N 1 3 313.461 2.165 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](F)CN(CC)CC ZINC001234644365 802439590 /nfs/dbraw/zinc/43/95/90/802439590.db2.gz TXYDXQDAODNQQZ-HZPDHXFCSA-N 1 3 313.461 2.165 20 30 DEEDHO C=CCCCCC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220799804 802499290 /nfs/dbraw/zinc/49/92/90/802499290.db2.gz HHQMWAWQQFZRFP-RWMBFGLXSA-N 1 3 321.387 2.107 20 30 DEEDHO C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001224402278 802864549 /nfs/dbraw/zinc/86/45/49/802864549.db2.gz CWPCFTDNMZCGRI-QGZVFWFLSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)C[NH+]1CCC(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001225542721 802979512 /nfs/dbraw/zinc/97/95/12/802979512.db2.gz NNBFQZISSJZPKE-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C#C[C@H](C)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227160247 803209491 /nfs/dbraw/zinc/20/94/91/803209491.db2.gz DTJNACZNVPNVMW-HNNXBMFYSA-N 1 3 317.477 2.272 20 30 DEEDHO C=C(C)C[N@@H+](C)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001331054956 1149369878 /nfs/dbraw/zinc/36/98/78/1149369878.db2.gz YLIVZQDCTXHUBJ-UHFFFAOYSA-N 1 3 309.498 2.463 20 30 DEEDHO C=C(C)C[N@H+](C)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001331054956 1149369883 /nfs/dbraw/zinc/36/98/83/1149369883.db2.gz YLIVZQDCTXHUBJ-UHFFFAOYSA-N 1 3 309.498 2.463 20 30 DEEDHO C[N@@H+]1CCCC[C@@H](CNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001336017604 1150591210 /nfs/dbraw/zinc/59/12/10/1150591210.db2.gz ISXDSMJXOGOCPQ-INIZCTEOSA-N 1 3 314.433 2.208 20 30 DEEDHO C[N@H+]1CCCC[C@@H](CNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001336017604 1150591222 /nfs/dbraw/zinc/59/12/22/1150591222.db2.gz ISXDSMJXOGOCPQ-INIZCTEOSA-N 1 3 314.433 2.208 20 30 DEEDHO CN1CCCC[C@@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001336017604 1150591238 /nfs/dbraw/zinc/59/12/38/1150591238.db2.gz ISXDSMJXOGOCPQ-INIZCTEOSA-N 1 3 314.433 2.208 20 30 DEEDHO C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)N(CC)CC ZINC001501399190 1059489013 /nfs/dbraw/zinc/48/90/13/1059489013.db2.gz CMWUYMISPXBJMP-FGTMMUONSA-N 1 3 319.493 2.195 20 30 DEEDHO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)N(CC)CC ZINC001501399190 1059489020 /nfs/dbraw/zinc/48/90/20/1059489020.db2.gz CMWUYMISPXBJMP-FGTMMUONSA-N 1 3 319.493 2.195 20 30 DEEDHO C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001479349073 1061405113 /nfs/dbraw/zinc/40/51/13/1061405113.db2.gz XAYWFTYSIJVNDZ-MAEOIBBWSA-N 1 3 315.461 2.422 20 30 DEEDHO C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001480051602 1062244911 /nfs/dbraw/zinc/24/49/11/1062244911.db2.gz SQYWTLLMTWMZBP-DLBZAZTESA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001480301889 1062608635 /nfs/dbraw/zinc/60/86/35/1062608635.db2.gz BFFHJFMSZLMWKB-IRXDYDNUSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001480361262 1062710917 /nfs/dbraw/zinc/71/09/17/1062710917.db2.gz JWPGDFBUKOSCGV-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001480385277 1062768355 /nfs/dbraw/zinc/76/83/55/1062768355.db2.gz ZMCANHLFJYEELH-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001480385277 1062768379 /nfs/dbraw/zinc/76/83/79/1062768379.db2.gz ZMCANHLFJYEELH-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCC[NH+]1CCC([C@@H](C)NC(=O)Cc2nc[nH]c2C)CC1 ZINC001508069726 1063536377 /nfs/dbraw/zinc/53/63/77/1063536377.db2.gz OICFFTIHFKRDOH-CQSZACIVSA-N 1 3 318.465 2.444 20 30 DEEDHO C=C(C)CN(CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001493405199 1063777074 /nfs/dbraw/zinc/77/70/74/1063777074.db2.gz VLWPJARELMPWJT-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CN(CCNC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001493405199 1063777076 /nfs/dbraw/zinc/77/70/76/1063777076.db2.gz VLWPJARELMPWJT-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001567976714 1064572245 /nfs/dbraw/zinc/57/22/45/1064572245.db2.gz IWGJDOKSJWYQGK-PBHICJAKSA-N 1 3 313.461 2.259 20 30 DEEDHO C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001568067770 1064629670 /nfs/dbraw/zinc/62/96/70/1064629670.db2.gz INFSLAPOVWLQQR-CABCVRRESA-N 1 3 315.889 2.297 20 30 DEEDHO C=CC[NH2+]CC[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001568068494 1064629990 /nfs/dbraw/zinc/62/99/90/1064629990.db2.gz YEUJHOIMTMILLA-INIZCTEOSA-N 1 3 309.498 2.369 20 30 DEEDHO C=C(C)CN1CC2(C1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001568253606 1064730173 /nfs/dbraw/zinc/73/01/73/1064730173.db2.gz KMESUPDQYXHKOZ-UHFFFAOYSA-N 1 3 319.493 2.363 20 30 DEEDHO C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001568393095 1064832528 /nfs/dbraw/zinc/83/25/28/1064832528.db2.gz CWSBHAJJQGEYHW-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1C(C)C ZINC001495581397 1064991440 /nfs/dbraw/zinc/99/14/40/1064991440.db2.gz OWBVIRQBDHFFIW-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCCCCN1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001569379631 1065474581 /nfs/dbraw/zinc/47/45/81/1065474581.db2.gz FEWFVVJXYBITBR-INIZCTEOSA-N 1 3 305.466 2.019 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001569518696 1065562668 /nfs/dbraw/zinc/56/26/68/1065562668.db2.gz KVJIVJWPEGHKAA-JKSUJKDBSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001569518694 1065562842 /nfs/dbraw/zinc/56/28/42/1065562842.db2.gz KVJIVJWPEGHKAA-HOTGVXAUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1 ZINC001569880057 1065789250 /nfs/dbraw/zinc/78/92/50/1065789250.db2.gz LJPMGEJNWKHSRY-NXOAAHMSSA-N 1 3 307.482 2.072 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1 ZINC001569880057 1065789262 /nfs/dbraw/zinc/78/92/62/1065789262.db2.gz LJPMGEJNWKHSRY-NXOAAHMSSA-N 1 3 307.482 2.072 20 30 DEEDHO N#C[C@H](c1ccc(F)cc1)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC001580035807 1067478047 /nfs/dbraw/zinc/47/80/47/1067478047.db2.gz HCRXPRDBIMBDEX-CRAIPNDOSA-N 1 3 316.424 2.008 20 30 DEEDHO N#Cc1cc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1F ZINC001580062420 1067485896 /nfs/dbraw/zinc/48/58/96/1067485896.db2.gz YLPLEAJMFFODOR-ZVZYQTTQSA-N 1 3 317.408 2.416 20 30 DEEDHO C=CCC[NH2+]C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC001483591200 1078614895 /nfs/dbraw/zinc/61/48/95/1078614895.db2.gz AWWDICBVMUIMNF-DOTOQJQBSA-N 1 3 307.482 2.311 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)CN(C)CC(C)(C)C ZINC001267175331 1078639061 /nfs/dbraw/zinc/63/90/61/1078639061.db2.gz SNEDWDUXAFWVDZ-QGZVFWFLSA-N 1 3 321.509 2.348 20 30 DEEDHO CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)CN(C)CC(C)(C)C ZINC001267175331 1078639065 /nfs/dbraw/zinc/63/90/65/1078639065.db2.gz SNEDWDUXAFWVDZ-QGZVFWFLSA-N 1 3 321.509 2.348 20 30 DEEDHO C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001570841396 1068136641 /nfs/dbraw/zinc/13/66/41/1068136641.db2.gz LOHXUYDJXGKWBL-DOTOQJQBSA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001570907270 1068155832 /nfs/dbraw/zinc/15/58/32/1068155832.db2.gz CYXOQGJGKQCQKZ-CVEARBPZSA-N 1 3 309.498 2.365 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001570907270 1068155834 /nfs/dbraw/zinc/15/58/34/1068155834.db2.gz CYXOQGJGKQCQKZ-CVEARBPZSA-N 1 3 309.498 2.365 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001571017379 1068173372 /nfs/dbraw/zinc/17/33/72/1068173372.db2.gz ZBKZLZQLPWPGPS-YESZJQIVSA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001571017379 1068173376 /nfs/dbraw/zinc/17/33/76/1068173376.db2.gz ZBKZLZQLPWPGPS-YESZJQIVSA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001571326722 1068222065 /nfs/dbraw/zinc/22/20/65/1068222065.db2.gz 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307.482 2.217 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCC)CC2)CC1 ZINC001672995335 1081731049 /nfs/dbraw/zinc/73/10/49/1081731049.db2.gz YKCXZQHBRNAXJB-SAABIXHNSA-N 1 3 319.493 2.006 20 30 DEEDHO C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001674463901 1081875847 /nfs/dbraw/zinc/87/58/47/1081875847.db2.gz VNSZKPUKYIGJCT-MRXNPFEDSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001674463901 1081875849 /nfs/dbraw/zinc/87/58/49/1081875849.db2.gz VNSZKPUKYIGJCT-MRXNPFEDSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001674499220 1081883263 /nfs/dbraw/zinc/88/32/63/1081883263.db2.gz FOICPXIKRUGCHC-IRXDYDNUSA-N 1 3 307.482 2.216 20 30 DEEDHO C=C(C)CC[NH2+]CC1CC(NC(=O)[C@H]2CCCCN2CC)C1 ZINC001674611487 1081894704 /nfs/dbraw/zinc/89/47/04/1081894704.db2.gz HMHWHCMEPPNFGL-OFLPRAFFSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)CN1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001266333008 1081976786 /nfs/dbraw/zinc/97/67/86/1081976786.db2.gz FFBBFZLOYXXQSV-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CN1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001266333008 1081976790 /nfs/dbraw/zinc/97/67/90/1081976790.db2.gz FFBBFZLOYXXQSV-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001271591820 1082088218 /nfs/dbraw/zinc/08/82/18/1082088218.db2.gz NELLOKJYXNRPAV-GOSISDBHSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001271665160 1082104599 /nfs/dbraw/zinc/10/45/99/1082104599.db2.gz IQFFRMJBOUSVNS-SJORKVTESA-N 1 3 321.509 2.204 20 30 DEEDHO C=CCC[N@@H+](C)CCC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001482506595 1082128109 /nfs/dbraw/zinc/12/81/09/1082128109.db2.gz DYHXNSQLCYSKMS-QGZVFWFLSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCC[N@H+](C)CCC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001482506595 1082128115 /nfs/dbraw/zinc/12/81/15/1082128115.db2.gz DYHXNSQLCYSKMS-QGZVFWFLSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCC[N@@H+](C)CCC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001271790455 1082154715 /nfs/dbraw/zinc/15/47/15/1082154715.db2.gz KWYTXPGUKMMKOF-UHFFFAOYSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCC[N@H+](C)CCC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001271790455 1082154721 /nfs/dbraw/zinc/15/47/21/1082154721.db2.gz KWYTXPGUKMMKOF-UHFFFAOYSA-N 1 3 309.498 2.463 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107439056 1083395502 /nfs/dbraw/zinc/39/55/02/1083395502.db2.gz PWNQMYYSHZTTEA-ZHALLVOQSA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107439056 1083395507 /nfs/dbraw/zinc/39/55/07/1083395507.db2.gz PWNQMYYSHZTTEA-ZHALLVOQSA-N 1 3 319.493 2.264 20 30 DEEDHO C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001272763882 1083971439 /nfs/dbraw/zinc/97/14/39/1083971439.db2.gz XVXFSLBNFSRGPA-BZSNNMDCSA-N 1 3 319.493 2.149 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001281557302 1084087984 /nfs/dbraw/zinc/08/79/84/1084087984.db2.gz OKNFZJMSVOMYBB-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001281557302 1084087994 /nfs/dbraw/zinc/08/79/94/1084087994.db2.gz OKNFZJMSVOMYBB-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C(C)C ZINC001491247008 1084185954 /nfs/dbraw/zinc/18/59/54/1084185954.db2.gz IENKLQOOFYUOIZ-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001078700092 1084815788 /nfs/dbraw/zinc/81/57/88/1084815788.db2.gz GPCWDLLHUJEFJN-HUUCEWRRSA-N 1 3 305.466 2.064 20 30 DEEDHO C=CC[NH+]1CCC(C2(NC(=O)CN(C)C3CCC3)CC2)CC1 ZINC001486488327 1085368216 /nfs/dbraw/zinc/36/82/16/1085368216.db2.gz DPICEVCLWBKZQC-UHFFFAOYSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CCC[NH+]1CCC(C2(NC(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001486489928 1085368786 /nfs/dbraw/zinc/36/87/86/1085368786.db2.gz BKHRHTMAHVWHBJ-INIZCTEOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)CC1 ZINC000957560360 1088411070 /nfs/dbraw/zinc/41/10/70/1088411070.db2.gz XIXRNLQJYDCZMN-QGZVFWFLSA-N 1 3 319.493 2.217 20 30 DEEDHO CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC000957569198 1088417014 /nfs/dbraw/zinc/41/70/14/1088417014.db2.gz ZOZMZCMAQHXLLA-QGZVFWFLSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001080190974 1088669543 /nfs/dbraw/zinc/66/95/43/1088669543.db2.gz PZHPAHDOYJTYLJ-CRAIPNDOSA-N 1 3 315.461 2.027 20 30 DEEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001080624351 1089107461 /nfs/dbraw/zinc/10/74/61/1089107461.db2.gz XAZJODTYKZXLMA-CRAIPNDOSA-N 1 3 315.461 2.374 20 30 DEEDHO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)N(C)C ZINC001114848969 1089148769 /nfs/dbraw/zinc/14/87/69/1089148769.db2.gz IWUMUQUNWVOMKG-VVLHAWIVSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)N(C)C ZINC001114848969 1089148776 /nfs/dbraw/zinc/14/87/76/1089148776.db2.gz IWUMUQUNWVOMKG-VVLHAWIVSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3CCC)[C@@H]2C1 ZINC001084389172 1090286169 /nfs/dbraw/zinc/28/61/69/1090286169.db2.gz VUYLFJBOPSGTDT-FGTMMUONSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3CCC)[C@@H]2C1 ZINC001084389172 1090286175 /nfs/dbraw/zinc/28/61/75/1090286175.db2.gz VUYLFJBOPSGTDT-FGTMMUONSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[NH2+]C/C=C\CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001274369467 1091210426 /nfs/dbraw/zinc/21/04/26/1091210426.db2.gz QMNDMMPBUACVBW-QWPQOLDESA-N 1 3 311.445 2.037 20 30 DEEDHO CCCCCCCCN1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001275130873 1091574281 /nfs/dbraw/zinc/57/42/81/1091574281.db2.gz JZNWRRQVGGHJRD-HDICACEKSA-N 1 3 311.514 2.294 20 30 DEEDHO C=CCN(C)C[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001275161502 1091593006 /nfs/dbraw/zinc/59/30/06/1091593006.db2.gz ZTDVNQMGBKQGNN-SFHVURJKSA-N 1 3 319.493 2.217 20 30 DEEDHO C#CC[N@H+]1CCC[C@@H](NC(=O)CN(C)CCCCCC)CC1 ZINC001273459178 1091788587 /nfs/dbraw/zinc/78/85/87/1091788587.db2.gz ZNLUCFSJARJFQG-QGZVFWFLSA-N 1 3 307.482 2.102 20 30 DEEDHO C#CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)CCCCCC)CC1 ZINC001273459178 1091788595 /nfs/dbraw/zinc/78/85/95/1091788595.db2.gz ZNLUCFSJARJFQG-QGZVFWFLSA-N 1 3 307.482 2.102 20 30 DEEDHO C[NH+](C)CCN1CC2(C1)CCCN(Cc1ccc(C#N)cc1)C2 ZINC001275828586 1092190542 /nfs/dbraw/zinc/19/05/42/1092190542.db2.gz BAAGBDPAERPQKK-UHFFFAOYSA-N 1 3 312.461 2.018 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001691742585 1138269328 /nfs/dbraw/zinc/26/93/28/1138269328.db2.gz CFSHMUPUACIEIG-IYBDPMFKSA-N 1 3 309.498 2.415 20 30 DEEDHO C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001281940584 1138845107 /nfs/dbraw/zinc/84/51/07/1138845107.db2.gz AIMUVZWRJUIORM-QGZVFWFLSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001281940584 1138845109 /nfs/dbraw/zinc/84/51/09/1138845109.db2.gz AIMUVZWRJUIORM-QGZVFWFLSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001316664269 1140039538 /nfs/dbraw/zinc/03/95/38/1140039538.db2.gz NNUFWTPETSXFDV-BBWFWOEESA-N 1 3 309.498 2.413 20 30 DEEDHO CC#CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1CCCCC1 ZINC001319662981 1140649123 /nfs/dbraw/zinc/64/91/23/1140649123.db2.gz KZAZYYUQHJJDIT-QZTJIDSGSA-N 1 3 321.509 2.251 20 30 DEEDHO C[C@H]1C[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CCN1 ZINC001246361469 1140888265 /nfs/dbraw/zinc/88/82/65/1140888265.db2.gz LLPAYMWSCVQWCU-HNAYVOBHSA-N 1 3 312.461 2.253 20 30 DEEDHO C#CCC[NH+]1CCC(NC[C@@H](O)c2cccc(Cl)c2)CC1 ZINC001336784821 1142570518 /nfs/dbraw/zinc/57/05/18/1142570518.db2.gz ICBSCLUIKSATQJ-QGZVFWFLSA-N 1 3 306.837 2.451 20 30 DEEDHO C=C[C@](C)(O)C[N@@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001252559299 1142766495 /nfs/dbraw/zinc/76/64/95/1142766495.db2.gz VFBMYSSRKGEMQX-OTWHNJEPSA-N 1 3 300.446 2.377 20 30 DEEDHO C=C[C@](C)(O)C[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001252559299 1142766498 /nfs/dbraw/zinc/76/64/98/1142766498.db2.gz VFBMYSSRKGEMQX-OTWHNJEPSA-N 1 3 300.446 2.377 20 30 DEEDHO C=C[C@](C)(O)CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001252559299 1142766499 /nfs/dbraw/zinc/76/64/99/1142766499.db2.gz VFBMYSSRKGEMQX-OTWHNJEPSA-N 1 3 300.446 2.377 20 30 DEEDHO C=C[C@](C)(O)CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001252559299 1142766501 /nfs/dbraw/zinc/76/65/01/1142766501.db2.gz VFBMYSSRKGEMQX-OTWHNJEPSA-N 1 3 300.446 2.377 20 30 DEEDHO C=CCC[C@@H](O)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001252620696 1142791873 /nfs/dbraw/zinc/79/18/73/1142791873.db2.gz YLJAVLMQCXKGRF-GOSISDBHSA-N 1 3 303.450 2.210 20 30 DEEDHO C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001264518029 1144556136 /nfs/dbraw/zinc/55/61/36/1144556136.db2.gz NVTKITACLZXLIW-IRXDYDNUSA-N 1 3 321.509 2.204 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCCCCC)C2)CC1 ZINC001265508874 1144708244 /nfs/dbraw/zinc/70/82/44/1144708244.db2.gz NXWNYRLIXZTIIX-IYARVYRRSA-N 1 3 319.493 2.149 20 30 DEEDHO CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001266068944 1144802389 /nfs/dbraw/zinc/80/23/89/1144802389.db2.gz RWLSBINIAIYKME-JKSUJKDBSA-N 1 3 307.482 2.005 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CC1(C)C ZINC001284348044 1145840607 /nfs/dbraw/zinc/84/06/07/1145840607.db2.gz REILPMJBUUDDII-HZPDHXFCSA-N 1 3 309.498 2.365 20 30 DEEDHO C#CC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCCC1)C(C)(C)C ZINC001284587845 1145875213 /nfs/dbraw/zinc/87/52/13/1145875213.db2.gz CAEXUPSWFXTHCT-HNNXBMFYSA-N 1 3 307.482 2.005 20 30 DEEDHO C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001316877345 1147619281 /nfs/dbraw/zinc/61/92/81/1147619281.db2.gz JXTRXKBDBPNTID-DLBZAZTESA-N 1 3 321.509 2.347 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001317046237 1147652571 /nfs/dbraw/zinc/65/25/71/1147652571.db2.gz ZHVIFDNLFNIBJY-DLBZAZTESA-N 1 3 309.498 2.319 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001317046237 1147652573 /nfs/dbraw/zinc/65/25/73/1147652573.db2.gz ZHVIFDNLFNIBJY-DLBZAZTESA-N 1 3 309.498 2.319 20 30 DEEDHO C=C(C)CN[C@H](CNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1 ZINC001317722490 1147747431 /nfs/dbraw/zinc/74/74/31/1147747431.db2.gz UYYLLPFQDIZXNA-QGZVFWFLSA-N 1 3 315.461 2.351 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001324978419 1147863718 /nfs/dbraw/zinc/86/37/18/1147863718.db2.gz UCOIOFICFVILEY-KRWDZBQOSA-N 1 3 304.438 2.055 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001324978419 1147863721 /nfs/dbraw/zinc/86/37/21/1147863721.db2.gz UCOIOFICFVILEY-KRWDZBQOSA-N 1 3 304.438 2.055 20 30 DEEDHO COCC#CCN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000677133361 541545805 /nfs/dbraw/zinc/54/58/05/541545805.db2.gz RZFAPFYDIUVQIV-UHFFFAOYSA-N 1 3 300.446 2.480 20 30 DEEDHO COCC#CCN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000677133361 541545810 /nfs/dbraw/zinc/54/58/10/541545810.db2.gz RZFAPFYDIUVQIV-UHFFFAOYSA-N 1 3 300.446 2.480 20 30 DEEDHO C[C@@H](CCC#N)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000411296911 533512527 /nfs/dbraw/zinc/51/25/27/533512527.db2.gz SRZGOCACODCGTA-HNNXBMFYSA-N 1 3 322.497 2.095 20 30 DEEDHO N#Cc1ccc(CNCCCC[N@H+]2CCC[C@H]2CO)c(F)c1 ZINC000269440593 403139907 /nfs/dbraw/zinc/13/99/07/403139907.db2.gz SKUYOCFNKXODGE-INIZCTEOSA-N 1 3 305.397 2.024 20 30 DEEDHO N#Cc1ccc(CNCCCC[N@@H+]2CCC[C@H]2CO)c(F)c1 ZINC000269440593 403139909 /nfs/dbraw/zinc/13/99/09/403139909.db2.gz SKUYOCFNKXODGE-INIZCTEOSA-N 1 3 305.397 2.024 20 30 DEEDHO COC1([C@@H](C)NCC#CC[NH2+][C@H](C)C2(OC)CCC2)CCC1 ZINC000412029593 404067252 /nfs/dbraw/zinc/06/72/52/404067252.db2.gz YNDRQJAZMRDIDZ-HZPDHXFCSA-N 1 3 308.466 2.084 20 30 DEEDHO C=CCN1CCC(NC(=O)N(CCC)CC[NH+](CC)CC)CC1 ZINC000360109080 404819170 /nfs/dbraw/zinc/81/91/70/404819170.db2.gz DEBHBOSKIXFALG-UHFFFAOYSA-N 1 3 324.513 2.400 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1)C(C)C ZINC000417059223 405022134 /nfs/dbraw/zinc/02/21/34/405022134.db2.gz HUQMNUHRBVFKOU-IXDOHACOSA-N 1 3 322.497 2.112 20 30 DEEDHO CN(C)C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(Cl)cc1 ZINC000424171051 405028585 /nfs/dbraw/zinc/02/85/85/405028585.db2.gz IRQVPSDHTXWELW-HUUCEWRRSA-N 1 3 322.840 2.080 20 30 DEEDHO N#CCCC[C@H](N)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000424182916 405032139 /nfs/dbraw/zinc/03/21/39/405032139.db2.gz UPTXZVNSIXHMCD-KRWDZBQOSA-N 1 3 314.433 2.285 20 30 DEEDHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)C(C)C#N)C2)s1 ZINC000566802046 406091286 /nfs/dbraw/zinc/09/12/86/406091286.db2.gz TUIOOTOZEXDVPI-OCCSQVGLSA-N 1 3 305.447 2.497 20 30 DEEDHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)C(C)C#N)C2)s1 ZINC000566802046 406091292 /nfs/dbraw/zinc/09/12/92/406091292.db2.gz TUIOOTOZEXDVPI-OCCSQVGLSA-N 1 3 305.447 2.497 20 30 DEEDHO [NH2+]=C(NC[C@@H]1CCCN1C1CCCCC1)N1CCSCC1 ZINC000262790102 225285018 /nfs/dbraw/zinc/28/50/18/225285018.db2.gz KLBWIOALQHLHDH-HNNXBMFYSA-N 1 3 310.511 2.147 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)C(C)C ZINC000653110487 425408241 /nfs/dbraw/zinc/40/82/41/425408241.db2.gz KGXNYFFMOLDUSM-FGTMMUONSA-N 1 3 319.493 2.332 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1[NH2+]CCC1(C)C)C(C)C ZINC000662681613 425711570 /nfs/dbraw/zinc/71/15/70/425711570.db2.gz KEZXHABDHQPMPH-HOTGVXAUSA-N 1 3 307.482 2.189 20 30 DEEDHO C=C(C)COCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422987867 276863978 /nfs/dbraw/zinc/86/39/78/276863978.db2.gz HOLXUKSFERQLEJ-SJLPKXTDSA-N 1 3 302.418 2.425 20 30 DEEDHO CC[NH+](CC)C[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349856066 279131585 /nfs/dbraw/zinc/13/15/85/279131585.db2.gz YSMGNVFVIMVLLZ-WMLDXEAASA-N 1 3 312.417 2.087 20 30 DEEDHO N#Cc1ccc(N2CCC[C@@H](N[C@@H]3CCC[NH2+]CC3)C2)c(F)c1 ZINC000583078911 337236581 /nfs/dbraw/zinc/23/65/81/337236581.db2.gz ZGRZJDIYZVDLOS-HZPDHXFCSA-N 1 3 316.424 2.398 20 30 DEEDHO C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001378891925 1152481129 /nfs/dbraw/zinc/48/11/29/1152481129.db2.gz NNSDMMBYOZMKFY-SHTZXODSSA-N 1 3 313.873 2.099 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000417537362 526583590 /nfs/dbraw/zinc/58/35/90/526583590.db2.gz LOWIAFQFJRXGCE-INIZCTEOSA-N 1 3 310.486 2.042 20 30 DEEDHO C=CC[C@H](CO)C[NH2+]Cc1ccccc1N1CCN(CC)CC1 ZINC000341296345 527185699 /nfs/dbraw/zinc/18/56/99/527185699.db2.gz JJONVQNHWSTRTR-KRWDZBQOSA-N 1 3 317.477 2.103 20 30 DEEDHO CCCNc1ccc(CNC(=[NH2+])NC[C@H]2CCCN2CC)cc1 ZINC000193062583 528562408 /nfs/dbraw/zinc/56/24/08/528562408.db2.gz YGEWTLVMKBXCDN-QGZVFWFLSA-N 1 3 317.481 2.397 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H]1Cc1ccccc1 ZINC000267475286 529073881 /nfs/dbraw/zinc/07/38/81/529073881.db2.gz ZECDRWOPJDLHPS-ZACQAIPSSA-N 1 3 300.450 2.006 20 30 DEEDHO CC#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632383 625364592 /nfs/dbraw/zinc/36/45/92/625364592.db2.gz LLHQVZZMZGLQQX-ROUUACIJSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023632383 625364596 /nfs/dbraw/zinc/36/45/96/625364596.db2.gz LLHQVZZMZGLQQX-ROUUACIJSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001023632383 625364598 /nfs/dbraw/zinc/36/45/98/625364598.db2.gz LLHQVZZMZGLQQX-ROUUACIJSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001023632383 625364601 /nfs/dbraw/zinc/36/46/01/625364601.db2.gz LLHQVZZMZGLQQX-ROUUACIJSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970529845 623523457 /nfs/dbraw/zinc/52/34/57/623523457.db2.gz TYUQJLXHPBOUAU-RDJZCZTQSA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000970529845 623523461 /nfs/dbraw/zinc/52/34/61/623523461.db2.gz TYUQJLXHPBOUAU-RDJZCZTQSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021605250 623822484 /nfs/dbraw/zinc/82/24/84/623822484.db2.gz LXDSXVIIONAWCT-WMZOPIPTSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021605250 623822494 /nfs/dbraw/zinc/82/24/94/623822494.db2.gz LXDSXVIIONAWCT-WMZOPIPTSA-N 1 3 319.493 2.360 20 30 DEEDHO C#CCCN1CCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024739037 632958594 /nfs/dbraw/zinc/95/85/94/632958594.db2.gz WULNSXOTXXXTRU-SFHVURJKSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CC[NH2+][C@H]1CN(C(=O)c2ccccc2CN(C)C)CC1(C)C ZINC000996672824 633346028 /nfs/dbraw/zinc/34/60/28/633346028.db2.gz RBDIBBOOIAFMIK-KRWDZBQOSA-N 1 3 315.461 2.374 20 30 DEEDHO C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980144774 634861955 /nfs/dbraw/zinc/86/19/55/634861955.db2.gz BNEOYZGNCDMGPP-GVDBMIGSSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980144774 634861956 /nfs/dbraw/zinc/86/19/56/634861956.db2.gz BNEOYZGNCDMGPP-GVDBMIGSSA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001028088486 635458789 /nfs/dbraw/zinc/45/87/89/635458789.db2.gz JQKVZUFLVWFIPW-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001028088486 635458792 /nfs/dbraw/zinc/45/87/92/635458792.db2.gz JQKVZUFLVWFIPW-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001001391740 635487113 /nfs/dbraw/zinc/48/71/13/635487113.db2.gz HIBJVGZYXZVVCF-KRWDZBQOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001001911953 635574308 /nfs/dbraw/zinc/57/43/08/635574308.db2.gz RMCFHFMPFWVICO-KRWDZBQOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC000982063442 635851882 /nfs/dbraw/zinc/85/18/82/635851882.db2.gz PVTULASCBLCLLF-SJORKVTESA-N 1 3 317.477 2.114 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC000982063442 635851883 /nfs/dbraw/zinc/85/18/83/635851883.db2.gz PVTULASCBLCLLF-SJORKVTESA-N 1 3 317.477 2.114 20 30 DEEDHO C=CCC[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001003742726 636045270 /nfs/dbraw/zinc/04/52/70/636045270.db2.gz ZSVFTQZTVCGXEY-QGZVFWFLSA-N 1 3 307.482 2.406 20 30 DEEDHO COCC[NH+]1CCC(NCc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000237109477 636480800 /nfs/dbraw/zinc/48/08/00/636480800.db2.gz VGOIJPWXQSXTFQ-OAHLLOKOSA-N 1 3 317.433 2.178 20 30 DEEDHO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3CC)CC[C@@H]2C1 ZINC000946901740 637183959 /nfs/dbraw/zinc/18/39/59/637183959.db2.gz DMYIGFFAHRYVAZ-KSZLIROESA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3CC)CC[C@@H]2C1 ZINC000946901740 637183963 /nfs/dbraw/zinc/18/39/63/637183963.db2.gz DMYIGFFAHRYVAZ-KSZLIROESA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@H](CC[NH3+])C1 ZINC000923487090 637201127 /nfs/dbraw/zinc/20/11/27/637201127.db2.gz WSMUAZYVZADKST-HUUCEWRRSA-N 1 3 321.490 2.322 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000900106271 642266153 /nfs/dbraw/zinc/26/61/53/642266153.db2.gz GQRRBMYDTFIPIY-GOSISDBHSA-N 1 3 315.461 2.448 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000900414643 642362162 /nfs/dbraw/zinc/36/21/62/642362162.db2.gz IIUIRCKCKHKKKA-UHFFFAOYSA-N 1 3 321.440 2.224 20 30 DEEDHO CC1(C)C[NH2+]C[C@H]1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000902448720 643044787 /nfs/dbraw/zinc/04/47/87/643044787.db2.gz HMYWPEDYNKBZEN-GOSISDBHSA-N 1 3 312.461 2.110 20 30 DEEDHO Cc1c(C[C@@H](C[NH3+])CN[C@@H](C)c2cccc(C#N)c2)cnn1C ZINC000903950819 643526878 /nfs/dbraw/zinc/52/68/78/643526878.db2.gz RNFXNHZVCFXXIN-BBRMVZONSA-N 1 3 311.433 2.068 20 30 DEEDHO CCOc1cc(C)ccc1CNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000305036510 685265765 /nfs/dbraw/zinc/26/57/65/685265765.db2.gz STHGBIJFOKMBBP-INIZCTEOSA-N 1 3 318.465 2.282 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCNc1cccc(F)c1 ZINC000305812757 685301396 /nfs/dbraw/zinc/30/13/96/685301396.db2.gz KILPUTABXWZVHW-MRXNPFEDSA-N 1 3 321.444 2.016 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCSc1ccccc1 ZINC000104156753 684058230 /nfs/dbraw/zinc/05/82/30/684058230.db2.gz LEAVGCIPOSMOAM-AWEZNQCLSA-N 1 3 306.479 2.167 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001054192386 693876279 /nfs/dbraw/zinc/87/62/79/693876279.db2.gz WNMIUPIWHXHLOX-MJGOQNOKSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001054192386 693876280 /nfs/dbraw/zinc/87/62/80/693876280.db2.gz WNMIUPIWHXHLOX-MJGOQNOKSA-N 1 3 321.509 2.463 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCSc1ccc(C)cc1 ZINC000303789650 685235450 /nfs/dbraw/zinc/23/54/50/685235450.db2.gz VLVVSEMCBHCWAC-OAHLLOKOSA-N 1 3 320.506 2.476 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCOc1ccc(C)cc1 ZINC000303971314 685240928 /nfs/dbraw/zinc/24/09/28/685240928.db2.gz DISWJADKGSMKFU-INIZCTEOSA-N 1 3 318.465 2.153 20 30 DEEDHO C#Cc1ccc(NC(=O)CCN(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000929698855 694008546 /nfs/dbraw/zinc/00/85/46/694008546.db2.gz AWCWTROMOFQYFH-QGZVFWFLSA-N 1 3 313.445 2.270 20 30 DEEDHO C#Cc1ccc(NC(=O)CCN(C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000929698855 694008551 /nfs/dbraw/zinc/00/85/51/694008551.db2.gz AWCWTROMOFQYFH-QGZVFWFLSA-N 1 3 313.445 2.270 20 30 DEEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018176364 688071871 /nfs/dbraw/zinc/07/18/71/688071871.db2.gz HVYJAHMYICZMRI-XDNAFOTISA-N 1 3 319.493 2.358 20 30 DEEDHO C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001033577101 689549125 /nfs/dbraw/zinc/54/91/25/689549125.db2.gz ZEAMEPOLQBINOA-ZWKOTPCHSA-N 1 3 319.493 2.197 20 30 DEEDHO C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033577101 689549130 /nfs/dbraw/zinc/54/91/30/689549130.db2.gz ZEAMEPOLQBINOA-ZWKOTPCHSA-N 1 3 319.493 2.197 20 30 DEEDHO C#CCCN1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033932354 689666326 /nfs/dbraw/zinc/66/63/26/689666326.db2.gz LWFBDMVXRWQMKV-ZWKOTPCHSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCCN1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001033932354 689666330 /nfs/dbraw/zinc/66/63/30/689666330.db2.gz LWFBDMVXRWQMKV-ZWKOTPCHSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001034238931 689776449 /nfs/dbraw/zinc/77/64/49/689776449.db2.gz OYCSMMFXJOQQBN-IAGOWNOFSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034238931 689776450 /nfs/dbraw/zinc/77/64/50/689776450.db2.gz OYCSMMFXJOQQBN-IAGOWNOFSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000876735028 689920662 /nfs/dbraw/zinc/92/06/62/689920662.db2.gz YEXUIRWUKNBZFR-OSAQELSMSA-N 1 3 301.862 2.083 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)N(CC[NH+](CC)CC)CC(C)C ZINC000876728481 689918358 /nfs/dbraw/zinc/91/83/58/689918358.db2.gz NKYMAEFGPMTLHO-CQSZACIVSA-N 1 3 303.878 2.283 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000876773764 689933530 /nfs/dbraw/zinc/93/35/30/689933530.db2.gz DXSVUJUZBDZLHQ-HNNXBMFYSA-N 1 3 313.873 2.370 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000876877078 689961487 /nfs/dbraw/zinc/96/14/87/689961487.db2.gz NCBCHXWXJCCBPF-BARDWOONSA-N 1 3 313.873 2.320 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000876877078 689961489 /nfs/dbraw/zinc/96/14/89/689961489.db2.gz NCBCHXWXJCCBPF-BARDWOONSA-N 1 3 313.873 2.320 20 30 DEEDHO C=CCC[N@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035194236 690056534 /nfs/dbraw/zinc/05/65/34/690056534.db2.gz WYDAFACYOWXGTJ-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035194236 690056537 /nfs/dbraw/zinc/05/65/37/690056537.db2.gz WYDAFACYOWXGTJ-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC001035779922 690174764 /nfs/dbraw/zinc/17/47/64/690174764.db2.gz YFRSLFVXQFPNPP-IRXDYDNUSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC001035779922 690174767 /nfs/dbraw/zinc/17/47/67/690174767.db2.gz YFRSLFVXQFPNPP-IRXDYDNUSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1CC ZINC001037863347 690626653 /nfs/dbraw/zinc/62/66/53/690626653.db2.gz XUHHGXADARLEHO-NVXWUHKLSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCC[C@H]1C ZINC001039297855 691076700 /nfs/dbraw/zinc/07/67/00/691076700.db2.gz BYIMPZIELXZZOF-MGNMYUMUSA-N 1 3 305.466 2.158 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040240149 691218346 /nfs/dbraw/zinc/21/83/46/691218346.db2.gz CHSYFRPJJNDATP-HKUYNNGSSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040240149 691218350 /nfs/dbraw/zinc/21/83/50/691218350.db2.gz CHSYFRPJJNDATP-HKUYNNGSSA-N 1 3 319.493 2.217 20 30 DEEDHO C#CC[N@@H+](C)CCCNCc1cc(CC=C)c(O)c(OC)c1 ZINC000883131480 691436724 /nfs/dbraw/zinc/43/67/24/691436724.db2.gz DKWQUNZZMVHNRH-UHFFFAOYSA-N 1 3 302.418 2.174 20 30 DEEDHO C#CC[N@H+](C)CCCNCc1cc(CC=C)c(O)c(OC)c1 ZINC000883131480 691436726 /nfs/dbraw/zinc/43/67/26/691436726.db2.gz DKWQUNZZMVHNRH-UHFFFAOYSA-N 1 3 302.418 2.174 20 30 DEEDHO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001041845660 691444409 /nfs/dbraw/zinc/44/44/09/691444409.db2.gz MLFLDGZEEBGNCU-MJGOQNOKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001041845660 691444413 /nfs/dbraw/zinc/44/44/13/691444413.db2.gz MLFLDGZEEBGNCU-MJGOQNOKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001049568763 692924286 /nfs/dbraw/zinc/92/42/86/692924286.db2.gz WERSTRCQAFESDE-KURKYZTESA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001049568763 692924288 /nfs/dbraw/zinc/92/42/88/692924288.db2.gz WERSTRCQAFESDE-KURKYZTESA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCC[NH+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001050661060 693226943 /nfs/dbraw/zinc/22/69/43/693226943.db2.gz NTUNIJPGAZLVBM-UHFFFAOYSA-N 1 3 319.493 2.219 20 30 DEEDHO CC#CCN1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052838012 693629641 /nfs/dbraw/zinc/62/96/41/693629641.db2.gz YKBVQLMWAPNIPQ-SFHVURJKSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(Cl)CN[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001402329193 1162325763 /nfs/dbraw/zinc/32/57/63/1162325763.db2.gz MKUMURLLTNWBSH-CQSZACIVSA-N 1 3 313.873 2.098 20 30 DEEDHO C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001073035816 790409042 /nfs/dbraw/zinc/40/90/42/790409042.db2.gz VFAAEOPXSYMSBU-KRWDZBQOSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001073035816 790409046 /nfs/dbraw/zinc/40/90/46/790409046.db2.gz VFAAEOPXSYMSBU-KRWDZBQOSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001087993095 779619813 /nfs/dbraw/zinc/61/98/13/779619813.db2.gz ZIMIJCAQMFCTRQ-SJORKVTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001087993095 779619817 /nfs/dbraw/zinc/61/98/17/779619817.db2.gz ZIMIJCAQMFCTRQ-SJORKVTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001088311836 779935710 /nfs/dbraw/zinc/93/57/10/779935710.db2.gz IEAMJRKVRIJRHJ-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)CN(C)C2CCC2)C1 ZINC001088327231 779958932 /nfs/dbraw/zinc/95/89/32/779958932.db2.gz IKPYCKULHOTTSY-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO CC#CCN1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000948388427 783448535 /nfs/dbraw/zinc/44/85/35/783448535.db2.gz GAMNICUKLUWQTH-FGTMMUONSA-N 1 3 319.493 2.053 20 30 DEEDHO CC#CCN1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000948388427 783448539 /nfs/dbraw/zinc/44/85/39/783448539.db2.gz GAMNICUKLUWQTH-FGTMMUONSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(C)C)CC1 ZINC001085431743 783680518 /nfs/dbraw/zinc/68/05/18/783680518.db2.gz RLXZOIYSQZZTAR-QZTJIDSGSA-N 1 3 319.493 2.005 20 30 DEEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001085639224 783916050 /nfs/dbraw/zinc/91/60/50/783916050.db2.gz KVEIOCANFYTRJC-SJORKVTESA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001085639224 783916055 /nfs/dbraw/zinc/91/60/55/783916055.db2.gz KVEIOCANFYTRJC-SJORKVTESA-N 1 3 307.482 2.073 20 30 DEEDHO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC000968882041 784635992 /nfs/dbraw/zinc/63/59/92/784635992.db2.gz FWNWMNIRZFYUHC-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC000968882041 784635994 /nfs/dbraw/zinc/63/59/94/784635994.db2.gz FWNWMNIRZFYUHC-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000968882041 784635998 /nfs/dbraw/zinc/63/59/98/784635998.db2.gz FWNWMNIRZFYUHC-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000968882041 784636002 /nfs/dbraw/zinc/63/60/02/784636002.db2.gz FWNWMNIRZFYUHC-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC000968882748 784636294 /nfs/dbraw/zinc/63/62/94/784636294.db2.gz TYSOAXHPPYNLHO-MSOLQXFVSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC000968882748 784636299 /nfs/dbraw/zinc/63/62/99/784636299.db2.gz TYSOAXHPPYNLHO-MSOLQXFVSA-N 1 3 319.493 2.245 20 30 DEEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001109688564 785988712 /nfs/dbraw/zinc/98/87/12/785988712.db2.gz WAJXZUMHMMONHK-LTIDMASMSA-N 1 3 307.482 2.260 20 30 DEEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001109688564 785988714 /nfs/dbraw/zinc/98/87/14/785988714.db2.gz WAJXZUMHMMONHK-LTIDMASMSA-N 1 3 307.482 2.260 20 30 DEEDHO C=CCC[C@@H](C)N1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001113676557 786756022 /nfs/dbraw/zinc/75/60/22/786756022.db2.gz XCCIUQSXZUPIJM-QGZVFWFLSA-N 1 3 307.482 2.361 20 30 DEEDHO C=CCN1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132210876 787967739 /nfs/dbraw/zinc/96/77/39/787967739.db2.gz KMZKNMSBLLPNHE-HZPDHXFCSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C ZINC001133121960 788287550 /nfs/dbraw/zinc/28/75/50/788287550.db2.gz MUTDIHIDDNYOBF-DLBZAZTESA-N 1 3 321.509 2.369 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1C ZINC001133194547 788313386 /nfs/dbraw/zinc/31/33/86/788313386.db2.gz HFXSFOZNTPHHSG-ROUUACIJSA-N 1 3 321.509 2.369 20 30 DEEDHO C#CCCN1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001071957591 789987377 /nfs/dbraw/zinc/98/73/77/789987377.db2.gz KVFUHWHPLNNBJO-AEFFLSMTSA-N 1 3 319.493 2.099 20 30 DEEDHO C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001171260853 791179587 /nfs/dbraw/zinc/17/95/87/791179587.db2.gz NHBNUGGGEZRVCM-AWEZNQCLSA-N 1 3 315.889 2.488 20 30 DEEDHO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146584703 791310241 /nfs/dbraw/zinc/31/02/41/791310241.db2.gz UNEGBMSFFITSNI-JKSUJKDBSA-N 1 3 315.461 2.258 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC=C)CC1 ZINC001146614570 791324483 /nfs/dbraw/zinc/32/44/83/791324483.db2.gz YPAJFVVZWMHUDD-DLBZAZTESA-N 1 3 319.493 2.171 20 30 DEEDHO C=CCCC[N@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315549 791736713 /nfs/dbraw/zinc/73/67/13/791736713.db2.gz OKQWVDLDDMJRGR-UHFFFAOYSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCCC[N@@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315549 791736716 /nfs/dbraw/zinc/73/67/16/791736716.db2.gz OKQWVDLDDMJRGR-UHFFFAOYSA-N 1 3 321.509 2.465 20 30 DEEDHO C=C(Cl)CNC1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001100562312 792721394 /nfs/dbraw/zinc/72/13/94/792721394.db2.gz IRIKYTFIFUXGKB-UHFFFAOYSA-N 1 3 313.873 2.098 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)N(C)CC)C[C@]2(C)C1 ZINC001101285223 793101913 /nfs/dbraw/zinc/10/19/13/793101913.db2.gz TXBPLEXVDZIICU-APWZRJJASA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)N(C)CC)C[C@]2(C)C1 ZINC001101285223 793101917 /nfs/dbraw/zinc/10/19/17/793101917.db2.gz TXBPLEXVDZIICU-APWZRJJASA-N 1 3 321.509 2.463 20 30 DEEDHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C(C)(C)C(C)(C)N)C[C@H]1C#N ZINC001172973072 793547254 /nfs/dbraw/zinc/54/72/54/793547254.db2.gz ABLIDYLAQXDGIX-OLZOCXBDSA-N 1 3 324.469 2.384 20 30 DEEDHO C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N(C)C)CCC1)C2 ZINC001112396825 794622262 /nfs/dbraw/zinc/62/22/62/794622262.db2.gz GQDKZNYHIQQKIW-WMZOPIPTSA-N 1 3 319.493 2.265 20 30 DEEDHO C#CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCCC2)CCCCC1 ZINC001115538495 794813156 /nfs/dbraw/zinc/81/31/56/794813156.db2.gz LBAGQSJPGHCSOX-UHFFFAOYSA-N 1 3 319.493 2.293 20 30 DEEDHO CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCCN2CCC)CCCCC1 ZINC001115562640 794822534 /nfs/dbraw/zinc/82/25/34/794822534.db2.gz DIOMJFIIJPDHTI-KRWDZBQOSA-N 1 3 319.493 2.293 20 30 DEEDHO C=C(C)C[NH2+]C1(CNC(=O)[C@@H](C2CC2)N(C)C)CCCCC1 ZINC001115573007 794826357 /nfs/dbraw/zinc/82/63/57/794826357.db2.gz CWQUXPBOKFANLC-MRXNPFEDSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(Cl)CNC1(CNC(=O)CCC[NH+](C)C)CCCCC1 ZINC001115697912 794884253 /nfs/dbraw/zinc/88/42/53/794884253.db2.gz NFOGSMSHVKSNGC-UHFFFAOYSA-N 1 3 315.889 2.489 20 30 DEEDHO C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H](CC)N(C)C)C2)C1 ZINC001121798992 795688851 /nfs/dbraw/zinc/68/88/51/795688851.db2.gz VYQDPOWPXMJCAT-HVEGKCCWSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCCC[C@H](N)C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC001121922278 795704188 /nfs/dbraw/zinc/70/41/88/795704188.db2.gz YPNVWVRFSYBHPA-KRWDZBQOSA-N 1 3 319.449 2.273 20 30 DEEDHO C=CCCC[C@@H](N)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC001121996978 795714549 /nfs/dbraw/zinc/71/45/49/795714549.db2.gz QGPVHXYIEHTVKF-QGZVFWFLSA-N 1 3 307.482 2.441 20 30 DEEDHO C=CCCCCC[NH2+][C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001185659735 796301052 /nfs/dbraw/zinc/30/10/52/796301052.db2.gz PSOFTDORFCVUNI-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203027104 796513057 /nfs/dbraw/zinc/51/30/57/796513057.db2.gz CMYPBGVGHGJGCP-HOTGVXAUSA-N 1 3 319.493 2.454 20 30 DEEDHO C=CCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N(C)CC)C12CCC2 ZINC001203105813 796652229 /nfs/dbraw/zinc/65/22/29/796652229.db2.gz YKCREUHVZQIGOR-GJZGRUSLSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001194265251 797702678 /nfs/dbraw/zinc/70/26/78/797702678.db2.gz COLPZFQJJBOCAK-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001194265251 797702680 /nfs/dbraw/zinc/70/26/80/797702680.db2.gz COLPZFQJJBOCAK-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001194266362 797702836 /nfs/dbraw/zinc/70/28/36/797702836.db2.gz QBTVRENUFYPQFR-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001194266362 797702838 /nfs/dbraw/zinc/70/28/38/797702838.db2.gz QBTVRENUFYPQFR-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO CC#CCN1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160119668 798649621 /nfs/dbraw/zinc/64/96/21/798649621.db2.gz FVRCJFBTNMYMRV-SFHVURJKSA-N 1 3 317.477 2.021 20 30 DEEDHO CC#CCN1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160119668 798649625 /nfs/dbraw/zinc/64/96/25/798649625.db2.gz FVRCJFBTNMYMRV-SFHVURJKSA-N 1 3 317.477 2.021 20 30 DEEDHO C#CCN1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001161390845 798845477 /nfs/dbraw/zinc/84/54/77/798845477.db2.gz LVOZSHCULBLCQP-GOSISDBHSA-N 1 3 317.477 2.021 20 30 DEEDHO C#CCN1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161390845 798845480 /nfs/dbraw/zinc/84/54/80/798845480.db2.gz LVOZSHCULBLCQP-GOSISDBHSA-N 1 3 317.477 2.021 20 30 DEEDHO C=CCC[C@H](C)[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001202495567 798980348 /nfs/dbraw/zinc/98/03/48/798980348.db2.gz GKBLLKQDDOHUFY-JKSUJKDBSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001204793844 800258007 /nfs/dbraw/zinc/25/80/07/800258007.db2.gz PHDFAJYUDGWVMW-WBVHZDCISA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230628930 801442131 /nfs/dbraw/zinc/44/21/31/801442131.db2.gz LHLVPUTUNLVEKN-GOSISDBHSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230628930 801442134 /nfs/dbraw/zinc/44/21/34/801442134.db2.gz LHLVPUTUNLVEKN-GOSISDBHSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001216845057 802032558 /nfs/dbraw/zinc/03/25/58/802032558.db2.gz VRNOVNCWPMXFNW-BRWVUGGUSA-N 1 3 307.482 2.264 20 30 DEEDHO CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489236 802794976 /nfs/dbraw/zinc/79/49/76/802794976.db2.gz KRDIMRBDBNMKPN-KURKYZTESA-N 1 3 319.493 2.053 20 30 DEEDHO CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001226267288 803081697 /nfs/dbraw/zinc/08/16/97/803081697.db2.gz FPKZSWQLRDWGRZ-IAGOWNOFSA-N 1 3 319.493 2.291 20 30 DEEDHO C=CCC[C@@H](C)[NH+]1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001227807003 803282575 /nfs/dbraw/zinc/28/25/75/803282575.db2.gz KBXXBOIMQHIIAO-OAHLLOKOSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001227817922 803284140 /nfs/dbraw/zinc/28/41/40/803284140.db2.gz PDULCHPGRPLUHN-RHSMWYFYSA-N 1 3 307.482 2.262 20 30 DEEDHO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N1CCCCCC1 ZINC001228924846 803431206 /nfs/dbraw/zinc/43/12/06/803431206.db2.gz KEIWNYYPNBVKBC-KZNAEPCWSA-N 1 3 319.493 2.291 20 30 DEEDHO C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001330822546 1149306804 /nfs/dbraw/zinc/30/68/04/1149306804.db2.gz UCMCLWBBAMTUCB-QLFBSQMISA-N 1 3 315.889 2.344 20 30 DEEDHO C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001330822546 1149306809 /nfs/dbraw/zinc/30/68/09/1149306809.db2.gz UCMCLWBBAMTUCB-QLFBSQMISA-N 1 3 315.889 2.344 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001418345553 1167588207 /nfs/dbraw/zinc/58/82/07/1167588207.db2.gz BHPPLFHDQZQXNC-AWEZNQCLSA-N 1 3 315.889 2.155 20 30 DEEDHO C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001501190038 1059361695 /nfs/dbraw/zinc/36/16/95/1059361695.db2.gz MPCOZKFKOPUQCT-BRSBDYLESA-N 1 3 319.493 2.005 20 30 DEEDHO C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001502532102 1060168122 /nfs/dbraw/zinc/16/81/22/1060168122.db2.gz JZYRNIXBOVTZDD-GOSISDBHSA-N 1 3 315.461 2.057 20 30 DEEDHO C=CCCN1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)C ZINC001503677690 1060457926 /nfs/dbraw/zinc/45/79/26/1060457926.db2.gz JBMGRDUFJZJVQM-GOSISDBHSA-N 1 3 315.461 2.230 20 30 DEEDHO C=CCC[NH2+][C@H]1CCCCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001479687532 1061600359 /nfs/dbraw/zinc/60/03/59/1061600359.db2.gz IRZLHRHBZXUPIH-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001480255376 1062534158 /nfs/dbraw/zinc/53/41/58/1062534158.db2.gz VJXOTFHPKWUCLY-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001480255376 1062534172 /nfs/dbraw/zinc/53/41/72/1062534172.db2.gz VJXOTFHPKWUCLY-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001480385275 1062769597 /nfs/dbraw/zinc/76/95/97/1062769597.db2.gz ZMCANHLFJYEELH-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001480385275 1062769616 /nfs/dbraw/zinc/76/96/16/1062769616.db2.gz ZMCANHLFJYEELH-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001480385273 1062771151 /nfs/dbraw/zinc/77/11/51/1062771151.db2.gz ZMCANHLFJYEELH-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001480385273 1062771169 /nfs/dbraw/zinc/77/11/69/1062771169.db2.gz ZMCANHLFJYEELH-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCCN1CC[C@H](N(CCC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001567692555 1064349337 /nfs/dbraw/zinc/34/93/37/1064349337.db2.gz COAGOCAALTYQLB-SFHVURJKSA-N 1 3 319.493 2.199 20 30 DEEDHO C=C(Cl)CNC[C@]1(NC(=O)CC[NH+](C)C)CCCC[C@@H]1C ZINC001495319566 1064828942 /nfs/dbraw/zinc/82/89/42/1064828942.db2.gz HJCYCANFALJWPQ-XJKSGUPXSA-N 1 3 315.889 2.345 20 30 DEEDHO C=C(C)CC[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CCCC1 ZINC001495960794 1065196588 /nfs/dbraw/zinc/19/65/88/1065196588.db2.gz WLSILXWTYGSVFU-UHFFFAOYSA-N 1 3 304.438 2.245 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001569400274 1065489195 /nfs/dbraw/zinc/48/91/95/1065489195.db2.gz KQKCEVWLHAZHSY-CVEARBPZSA-N 1 3 307.482 2.452 20 30 DEEDHO C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001569400276 1065489221 /nfs/dbraw/zinc/48/92/21/1065489221.db2.gz KQKCEVWLHAZHSY-HOTGVXAUSA-N 1 3 307.482 2.452 20 30 DEEDHO C=CCC[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CCCC1 ZINC001569603632 1065617252 /nfs/dbraw/zinc/61/72/52/1065617252.db2.gz CEEFOQZEBAZYAT-MRXNPFEDSA-N 1 3 307.482 2.311 20 30 DEEDHO CC#CC[NH2+]CC1(NC(=O)[C@@H]2CCCN2C(C)C)CCCCC1 ZINC001570796622 1068119682 /nfs/dbraw/zinc/11/96/82/1068119682.db2.gz XNBVXNJTAIWIQE-KRWDZBQOSA-N 1 3 319.493 2.291 20 30 DEEDHO CC#CCN1CCCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001570825551 1068130538 /nfs/dbraw/zinc/13/05/38/1068130538.db2.gz UVHLIFKPLYRWTC-MSOLQXFVSA-N 1 3 321.509 2.491 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001571118715 1068183741 /nfs/dbraw/zinc/18/37/41/1068183741.db2.gz XKKXKKYXFVUCNU-BRWVUGGUSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCC[NH2+]C1CCC(N(C)C(=O)CN(C)C2CCC2)CC1 ZINC001329232007 1148876448 /nfs/dbraw/zinc/87/64/48/1148876448.db2.gz ZAHXVEDKWKMGJT-UHFFFAOYSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[NH2+][C@H](CNC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001566709025 1075322848 /nfs/dbraw/zinc/32/28/48/1075322848.db2.gz ONVVCSDVYFVAOQ-MRXNPFEDSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001566875512 1075370918 /nfs/dbraw/zinc/37/09/18/1075370918.db2.gz WFLPHWKBBBKPAO-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001566875512 1075370924 /nfs/dbraw/zinc/37/09/24/1075370924.db2.gz WFLPHWKBBBKPAO-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN2CCC)C1 ZINC001267764743 1079468531 /nfs/dbraw/zinc/46/85/31/1079468531.db2.gz YMDKGQXAZNYKSH-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN2CCC)C1 ZINC001267764743 1079468533 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C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001661598520 1080498645 /nfs/dbraw/zinc/49/86/45/1080498645.db2.gz YCHCOJBQUREPRH-MWDXBVQZSA-N 1 3 307.482 2.451 20 30 DEEDHO CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001482010891 1080686355 /nfs/dbraw/zinc/68/63/55/1080686355.db2.gz WQUNWQDUGRDOIX-GOSISDBHSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001664760814 1080957167 /nfs/dbraw/zinc/95/71/67/1080957167.db2.gz ZGLHDGHUMRYESH-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001664760814 1080957171 /nfs/dbraw/zinc/95/71/71/1080957171.db2.gz ZGLHDGHUMRYESH-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CC[N@@H+](C)CCC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001667421012 1081251017 /nfs/dbraw/zinc/25/10/17/1081251017.db2.gz JCOSDFOOWARYRJ-MRXNPFEDSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CC[N@H+](C)CCC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001667421012 1081251022 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SVOJETDKBUTTCN-XLAORIBOSA-N 1 3 319.493 2.121 20 30 DEEDHO C#CC[N@@H+](CCNC(=O)[C@@H](CC)N(C)C)C1CCCCCC1 ZINC001277382684 1083935495 /nfs/dbraw/zinc/93/54/95/1083935495.db2.gz PXQKXJWOUGWVFT-QGZVFWFLSA-N 1 3 307.482 2.101 20 30 DEEDHO C#CC[N@H+](CCNC(=O)[C@@H](CC)N(C)C)C1CCCCCC1 ZINC001277382684 1083935500 /nfs/dbraw/zinc/93/55/00/1083935500.db2.gz PXQKXJWOUGWVFT-QGZVFWFLSA-N 1 3 307.482 2.101 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001491173808 1084129335 /nfs/dbraw/zinc/12/93/35/1084129335.db2.gz UJMZHRUHNVDCPP-SJORKVTESA-N 1 3 307.482 2.123 20 30 DEEDHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001235259906 1084364419 /nfs/dbraw/zinc/36/44/19/1084364419.db2.gz DLDAZCVHTZQLPE-MSOLQXFVSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001235259906 1084364432 /nfs/dbraw/zinc/36/44/32/1084364432.db2.gz DLDAZCVHTZQLPE-MSOLQXFVSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001235340326 1084398726 /nfs/dbraw/zinc/39/87/26/1084398726.db2.gz ZKMVBFSBRXERRW-IAGOWNOFSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001235340326 1084398733 /nfs/dbraw/zinc/39/87/33/1084398733.db2.gz ZKMVBFSBRXERRW-IAGOWNOFSA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001078695091 1084828138 /nfs/dbraw/zinc/82/81/38/1084828138.db2.gz HOMGEQPSBUDPSY-HZPDHXFCSA-N 1 3 319.493 2.454 20 30 DEEDHO CC#CC[NH2+]C[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C(C)(C)C ZINC001486415985 1085302702 /nfs/dbraw/zinc/30/27/02/1085302702.db2.gz HMOKMYVXRXOIKY-SJORKVTESA-N 1 3 321.509 2.395 20 30 DEEDHO C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C[C@H]1CCC[N@@H+](C)C1 ZINC001273143218 1086664919 /nfs/dbraw/zinc/66/49/19/1086664919.db2.gz DEJXMMURIBEQHY-HKUYNNGSSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C[C@H]1CCC[N@H+](C)C1 ZINC001273143218 1086664924 /nfs/dbraw/zinc/66/49/24/1086664924.db2.gz DEJXMMURIBEQHY-HKUYNNGSSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001080191885 1088670312 /nfs/dbraw/zinc/67/03/12/1088670312.db2.gz AEDKHTKTVSPJNC-KBAYOESNSA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001080191885 1088670327 /nfs/dbraw/zinc/67/03/27/1088670327.db2.gz AEDKHTKTVSPJNC-KBAYOESNSA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001080754169 1089170398 /nfs/dbraw/zinc/17/03/98/1089170398.db2.gz BVAIWOZTIXDNPH-CRAIPNDOSA-N 1 3 319.493 2.121 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]21 ZINC001085025290 1090599438 /nfs/dbraw/zinc/59/94/38/1090599438.db2.gz OYXQSGGZOLDTRQ-IXDOHACOSA-N 1 3 307.482 2.072 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]21 ZINC001085025290 1090599445 /nfs/dbraw/zinc/59/94/45/1090599445.db2.gz OYXQSGGZOLDTRQ-IXDOHACOSA-N 1 3 307.482 2.072 20 30 DEEDHO N#C[C@@H]1C[C@H](N[C@H](c2ccccc2F)C2CC[NH2+]CC2)CCN1 ZINC001246402405 1140894257 /nfs/dbraw/zinc/89/42/57/1140894257.db2.gz YDVYSEJEJMWQOQ-VKJFTORMSA-N 1 3 316.424 2.100 20 30 DEEDHO C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@H]1CCN[C@H](C)C1)CC2 ZINC001246730689 1141046272 /nfs/dbraw/zinc/04/62/72/1141046272.db2.gz AEHLSSKYPSUMFG-SOLBZPMBSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCN1C(=O)CC[C@@]12CCC[N@H+]([C@H]1CCN[C@H](C)C1)CC2 ZINC001246730689 1141046282 /nfs/dbraw/zinc/04/62/82/1141046282.db2.gz AEHLSSKYPSUMFG-SOLBZPMBSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCO[C@@H]1CO[C@]2(C1)CCCN(C1CC[NH+](C3CC3)CC1)C2 ZINC001256077709 1143828314 /nfs/dbraw/zinc/82/83/14/1143828314.db2.gz HRHGFBFRFLNCGI-OALUTQOASA-N 1 3 320.477 2.439 20 30 DEEDHO C=CCN1C(=O)CCC12CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001256624144 1143858054 /nfs/dbraw/zinc/85/80/54/1143858054.db2.gz RIZUTIXSEIFYGO-SJPCQFCGSA-N 1 3 317.477 2.255 20 30 DEEDHO C=CCN1C(=O)CCC12CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001256624144 1143858056 /nfs/dbraw/zinc/85/80/56/1143858056.db2.gz RIZUTIXSEIFYGO-SJPCQFCGSA-N 1 3 317.477 2.255 20 30 DEEDHO C=CCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001265088997 1144640513 /nfs/dbraw/zinc/64/05/13/1144640513.db2.gz IMEBMHPPIIXQDX-GOEBONIOSA-N 1 3 304.438 2.278 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001265217519 1144669473 /nfs/dbraw/zinc/66/94/73/1144669473.db2.gz XUOMHIWIWDUHND-HZPDHXFCSA-N 1 3 313.461 2.213 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001265217519 1144669474 /nfs/dbraw/zinc/66/94/74/1144669474.db2.gz XUOMHIWIWDUHND-HZPDHXFCSA-N 1 3 313.461 2.213 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001265508698 1144708264 /nfs/dbraw/zinc/70/82/64/1144708264.db2.gz JSBUINRHZBWGGV-QAQDUYKDSA-N 1 3 319.493 2.005 20 30 DEEDHO C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001265982597 1144776430 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CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001316812478 1147583233 /nfs/dbraw/zinc/58/32/33/1147583233.db2.gz WVRGRFPFWBGEBC-IRXDYDNUSA-N 1 3 321.509 2.203 20 30 DEEDHO C#CCC[N@H+](CC)CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001316904584 1147627875 /nfs/dbraw/zinc/62/78/75/1147627875.db2.gz SISKPCBVYLZXDQ-KRWDZBQOSA-N 1 3 307.482 2.101 20 30 DEEDHO C#CCC[N@@H+](CC)CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001316904584 1147627876 /nfs/dbraw/zinc/62/78/76/1147627876.db2.gz SISKPCBVYLZXDQ-KRWDZBQOSA-N 1 3 307.482 2.101 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001317139871 1147665638 /nfs/dbraw/zinc/66/56/38/1147665638.db2.gz LQPKWOVYJDZOSW-IAGOWNOFSA-N 1 3 307.482 2.123 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001317139871 1147665640 /nfs/dbraw/zinc/66/56/40/1147665640.db2.gz LQPKWOVYJDZOSW-IAGOWNOFSA-N 1 3 307.482 2.123 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001317153684 1147667356 /nfs/dbraw/zinc/66/73/56/1147667356.db2.gz WWZJORJMHDQASO-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001317173666 1147670945 /nfs/dbraw/zinc/67/09/45/1147670945.db2.gz PWGNMICSBSGMJY-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001317173666 1147670946 /nfs/dbraw/zinc/67/09/46/1147670946.db2.gz PWGNMICSBSGMJY-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001317852828 1147757939 /nfs/dbraw/zinc/75/79/39/1147757939.db2.gz INRAPQLFXRALPG-DLBZAZTESA-N 1 3 307.482 2.075 20 30 DEEDHO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001317852828 1147757941 /nfs/dbraw/zinc/75/79/41/1147757941.db2.gz INRAPQLFXRALPG-DLBZAZTESA-N 1 3 307.482 2.075 20 30 DEEDHO C=C(C)CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001317869869 1147759178 /nfs/dbraw/zinc/75/91/78/1147759178.db2.gz ZKHCYQUIRGHKIS-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001317869869 1147759180 /nfs/dbraw/zinc/75/91/80/1147759180.db2.gz ZKHCYQUIRGHKIS-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CN1CC[C@@](C)(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001324681861 1147830775 /nfs/dbraw/zinc/83/07/75/1147830775.db2.gz XHQVMABHAXAWAK-GOSISDBHSA-N 1 3 307.482 2.409 20 30 DEEDHO CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H](CC)N(C)C)cc1 ZINC001326469834 1148108780 /nfs/dbraw/zinc/10/87/80/1148108780.db2.gz VZMZOJSSZZGDHN-MAUKXSAKSA-N 1 3 315.461 2.317 20 30 DEEDHO CCN1CCN(CCC[NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000181492147 199306122 /nfs/dbraw/zinc/30/61/22/199306122.db2.gz XPZSBDWQMVMTAU-INIZCTEOSA-N 1 3 300.450 2.236 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000417057732 540164858 /nfs/dbraw/zinc/16/48/58/540164858.db2.gz CRUJRDFOQBPFGR-GVDBMIGSSA-N 1 3 322.497 2.254 20 30 DEEDHO C=CCC1(CNC(=O)N(CCN(C)C)CC[NH+](C)C)CCCC1 ZINC000581929409 357269127 /nfs/dbraw/zinc/26/91/27/357269127.db2.gz SMXAHPVBSDDJSZ-UHFFFAOYSA-N 1 3 324.513 2.258 20 30 DEEDHO N#Cc1cccc(CN2CCC(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000593323974 358054407 /nfs/dbraw/zinc/05/44/07/358054407.db2.gz UYYVNCNREGNJNU-YOFSQIOKSA-N 1 3 324.472 2.395 20 30 DEEDHO C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000619374695 363775380 /nfs/dbraw/zinc/77/53/80/363775380.db2.gz VRWWFEWHIJFHSI-KBXCAEBGSA-N 1 3 324.428 2.087 20 30 DEEDHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(C#N)c1 ZINC000538397939 285033878 /nfs/dbraw/zinc/03/38/78/285033878.db2.gz GGAFISHNPNTZGG-INIZCTEOSA-N 1 3 300.450 2.236 20 30 DEEDHO CN(C)CC[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)C(C)(C)C ZINC000563154592 292034907 /nfs/dbraw/zinc/03/49/07/292034907.db2.gz RDLXLDSAGDFINW-HNNXBMFYSA-N 1 3 314.437 2.057 20 30 DEEDHO CN1CCC([NH+]2CCC(NCc3cc(C#N)cs3)CC2)CC1 ZINC000177693204 402427432 /nfs/dbraw/zinc/42/74/32/402427432.db2.gz OCLQAQVGEZXIBP-UHFFFAOYSA-N 1 3 318.490 2.268 20 30 DEEDHO Cn1cc(CNCc2ccc(OCC[NH+](C)C)cc2)cc1C#N ZINC000190785508 402622461 /nfs/dbraw/zinc/62/24/61/402622461.db2.gz BVOCZTJPQYJIPL-UHFFFAOYSA-N 1 3 312.417 2.127 20 30 DEEDHO CCC[N@H+](CC)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279391653 402938185 /nfs/dbraw/zinc/93/81/85/402938185.db2.gz AIDWOAPSEXZPIT-QGZVFWFLSA-N 1 3 312.417 2.089 20 30 DEEDHO CCC[N@@H+](CC)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279391653 402938187 /nfs/dbraw/zinc/93/81/87/402938187.db2.gz AIDWOAPSEXZPIT-QGZVFWFLSA-N 1 3 312.417 2.089 20 30 DEEDHO C[NH+]1CCC(C)(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280179955 402972624 /nfs/dbraw/zinc/97/26/24/402972624.db2.gz DGNMFOIXFUYGLO-QGZVFWFLSA-N 1 3 324.428 2.089 20 30 DEEDHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000332030866 403466159 /nfs/dbraw/zinc/46/61/59/403466159.db2.gz SRGABNGWZNVJCX-QGZVFWFLSA-N 1 3 314.433 2.303 20 30 DEEDHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000332030866 403466162 /nfs/dbraw/zinc/46/61/62/403466162.db2.gz SRGABNGWZNVJCX-QGZVFWFLSA-N 1 3 314.433 2.303 20 30 DEEDHO Cc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1C#N ZINC000332348539 403557525 /nfs/dbraw/zinc/55/75/25/403557525.db2.gz ALRPQALHRJNFEZ-RTBURBONSA-N 1 3 313.445 2.334 20 30 DEEDHO C#CCN(C)CCC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000295090399 403757190 /nfs/dbraw/zinc/75/71/90/403757190.db2.gz UVULZCKJHIVWNU-QGZVFWFLSA-N 1 3 317.477 2.233 20 30 DEEDHO C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1=CCN(C)CC1 ZINC000329529770 404366840 /nfs/dbraw/zinc/36/68/40/404366840.db2.gz VHXUSEOUGPGSMI-CYBMUJFWSA-N 1 3 322.497 2.450 20 30 DEEDHO CN(C)CCNC(=O)C1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000345192273 404604276 /nfs/dbraw/zinc/60/42/76/404604276.db2.gz UUSGVCICHCUDEZ-UHFFFAOYSA-N 1 3 322.497 2.096 20 30 DEEDHO C=CCOc1cccc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414796930 404737578 /nfs/dbraw/zinc/73/75/78/404737578.db2.gz YDCJEPUHTFUOPJ-QGZVFWFLSA-N 1 3 316.445 2.439 20 30 DEEDHO C[C@H](CCNC(=O)[C@H](N)CCCC#N)[N@H+](C)Cc1ccccc1 ZINC000424155985 405025461 /nfs/dbraw/zinc/02/54/61/405025461.db2.gz OMLRALODKHCEAC-NVXWUHKLSA-N 1 3 316.449 2.034 20 30 DEEDHO C[C@H](CCNC(=O)[C@H](N)CCCC#N)[N@@H+](C)Cc1ccccc1 ZINC000424155985 405025464 /nfs/dbraw/zinc/02/54/64/405025464.db2.gz OMLRALODKHCEAC-NVXWUHKLSA-N 1 3 316.449 2.034 20 30 DEEDHO C=C[C@@H]1OCC[C@H]1N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423156308 405706367 /nfs/dbraw/zinc/70/63/67/405706367.db2.gz RZQIPECNKIBPRZ-CVYDXHPNSA-N 1 3 300.402 2.175 20 30 DEEDHO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCC[C@@H](N)C3)CC2)cc1 ZINC000423386635 405784530 /nfs/dbraw/zinc/78/45/30/405784530.db2.gz MDEHFBHGJKIMBS-MJGOQNOKSA-N 1 3 312.461 2.382 20 30 DEEDHO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000661117515 425327028 /nfs/dbraw/zinc/32/70/28/425327028.db2.gz REUQHRYCHAHKTG-MAUKXSAKSA-N 1 3 319.493 2.454 20 30 DEEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CCN(CC)CC1 ZINC000661119996 425328786 /nfs/dbraw/zinc/32/87/86/425328786.db2.gz YMUQGNOJDDQMSJ-WBVHZDCISA-N 1 3 307.482 2.311 20 30 DEEDHO C=CC[C@@H]1CCCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000661379145 425394912 /nfs/dbraw/zinc/39/49/12/425394912.db2.gz USNBBHSSGYBYTE-OAHLLOKOSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](C)NC[C@H]1C)C(C)C ZINC000417072275 277851183 /nfs/dbraw/zinc/85/11/83/277851183.db2.gz XEDYXCFWSJMDJG-GVDBMIGSSA-N 1 3 322.497 2.077 20 30 DEEDHO C=C(Cl)CN[C@H](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001437383297 1179774665 /nfs/dbraw/zinc/77/46/65/1179774665.db2.gz YHKXTNXSEVXZKT-KGLIPLIRSA-N 1 3 301.862 2.098 20 30 DEEDHO C=C(Cl)CN[C@H](C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001437383297 1179774680 /nfs/dbraw/zinc/77/46/80/1179774680.db2.gz YHKXTNXSEVXZKT-KGLIPLIRSA-N 1 3 301.862 2.098 20 30 DEEDHO C[NH+]=C(NCC(C)(C)N1CCC[C@@H](C)C1)N(C)Cc1ccon1 ZINC000261795151 526349076 /nfs/dbraw/zinc/34/90/76/526349076.db2.gz QWEZRAZGWFXGTM-CQSZACIVSA-N 1 3 321.469 2.192 20 30 DEEDHO C[NH+]=C(NCC1(N(C)C)CCCCCC1)N(C)C[C@H]1CCOC1 ZINC000261640066 526350865 /nfs/dbraw/zinc/35/08/65/526350865.db2.gz KSJGRAJNDXDAKU-MRXNPFEDSA-N 1 3 324.513 2.185 20 30 DEEDHO C[NH+]=C(NCc1sccc1C)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261996002 526393773 /nfs/dbraw/zinc/39/37/73/526393773.db2.gz SLAHEKBOPRNRLR-ZIAGYGMSSA-N 1 3 308.495 2.450 20 30 DEEDHO CC(C)CCNC(=[NH2+])NCc1ccc(OCCN(C)C)cc1 ZINC000264063452 527722040 /nfs/dbraw/zinc/72/20/40/527722040.db2.gz DHMSCEIJQSKXBO-UHFFFAOYSA-N 1 3 306.454 2.077 20 30 DEEDHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424058606 528242994 /nfs/dbraw/zinc/24/29/94/528242994.db2.gz LREXOQJHIRMVPY-SJORKVTESA-N 1 3 316.449 2.207 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC2(CCCCC2)O1 ZINC000262357569 529073014 /nfs/dbraw/zinc/07/30/14/529073014.db2.gz JPIINMWTCYUMGQ-HZPDHXFCSA-N 1 3 322.497 2.257 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000267475284 529073320 /nfs/dbraw/zinc/07/33/20/529073320.db2.gz ZECDRWOPJDLHPS-BRWVUGGUSA-N 1 3 300.450 2.006 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)C(C)C)C[C@@]2(C)C1 ZINC001330539024 1149184500 /nfs/dbraw/zinc/18/45/00/1149184500.db2.gz ULLATGMEGBPQEZ-HDICACEKSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)C(C)C)C[C@@]2(C)C1 ZINC001330539024 1149184534 /nfs/dbraw/zinc/18/45/34/1149184534.db2.gz ULLATGMEGBPQEZ-HDICACEKSA-N 1 3 307.482 2.073 20 30 DEEDHO N#CCCCC[C@@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001355067119 1151977821 /nfs/dbraw/zinc/97/78/21/1151977821.db2.gz QJYHJIGNSRANSG-NVXWUHKLSA-N 1 3 320.481 2.026 20 30 DEEDHO C=C(Cl)CNC[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001382543919 1153467637 /nfs/dbraw/zinc/46/76/37/1153467637.db2.gz XOBFYVOEUYCPIH-KGLIPLIRSA-N 1 3 315.889 2.201 20 30 DEEDHO C=C(Cl)CNC[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001382543919 1153467639 /nfs/dbraw/zinc/46/76/39/1153467639.db2.gz XOBFYVOEUYCPIH-KGLIPLIRSA-N 1 3 315.889 2.201 20 30 DEEDHO C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001027693686 634448178 /nfs/dbraw/zinc/44/81/78/634448178.db2.gz GKEUVCPEZVKOBZ-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001027693686 634448182 /nfs/dbraw/zinc/44/81/82/634448182.db2.gz GKEUVCPEZVKOBZ-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001024448096 625772173 /nfs/dbraw/zinc/77/21/73/625772173.db2.gz BYGBFUGAEJKAEG-IXDOHACOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001024448096 625772181 /nfs/dbraw/zinc/77/21/81/625772181.db2.gz BYGBFUGAEJKAEG-IXDOHACOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000974729348 633270092 /nfs/dbraw/zinc/27/00/92/633270092.db2.gz LOIWTQOMKUJMAK-INIZCTEOSA-N 1 3 319.493 2.265 20 30 DEEDHO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C(C)(C)C1 ZINC000977214367 633880555 /nfs/dbraw/zinc/88/05/55/633880555.db2.gz CPFGLKBJILWCGD-IAGOWNOFSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C(C)(C)C1 ZINC000977214367 633880557 /nfs/dbraw/zinc/88/05/57/633880557.db2.gz CPFGLKBJILWCGD-IAGOWNOFSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000997613759 633900674 /nfs/dbraw/zinc/90/06/74/633900674.db2.gz MQDVKBLJFXHZKJ-FUHWJXTLSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000997613759 633900679 /nfs/dbraw/zinc/90/06/79/633900679.db2.gz MQDVKBLJFXHZKJ-FUHWJXTLSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CCC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998098963 634140087 /nfs/dbraw/zinc/14/00/87/634140087.db2.gz RHPCJSXBFNWHEP-GOSISDBHSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001027602063 634255665 /nfs/dbraw/zinc/25/56/65/634255665.db2.gz KQGKXKMRRMCICJ-IAGOWNOFSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001027602063 634255666 /nfs/dbraw/zinc/25/56/66/634255666.db2.gz KQGKXKMRRMCICJ-IAGOWNOFSA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027877712 634846351 /nfs/dbraw/zinc/84/63/51/634846351.db2.gz ABTFLZQJRKIDRI-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027877712 634846353 /nfs/dbraw/zinc/84/63/53/634846353.db2.gz ABTFLZQJRKIDRI-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001000374650 635163008 /nfs/dbraw/zinc/16/30/08/635163008.db2.gz WEKWFGJAIYVKNE-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[NH2+][C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001000992529 635383583 /nfs/dbraw/zinc/38/35/83/635383583.db2.gz MIBCOTDTOULDRB-QGZVFWFLSA-N 1 3 301.434 2.128 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CC(C)C)C2)CC1 ZINC000981540557 635522912 /nfs/dbraw/zinc/52/29/12/635522912.db2.gz DTZCLGUSKUAGKD-ROUUACIJSA-N 1 3 319.493 2.005 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC000982063440 635850792 /nfs/dbraw/zinc/85/07/92/635850792.db2.gz PVTULASCBLCLLF-IAGOWNOFSA-N 1 3 317.477 2.114 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC000982063440 635850794 /nfs/dbraw/zinc/85/07/94/635850794.db2.gz PVTULASCBLCLLF-IAGOWNOFSA-N 1 3 317.477 2.114 20 30 DEEDHO C=CCCN1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000982152028 635891040 /nfs/dbraw/zinc/89/10/40/635891040.db2.gz PZOTVUGZFZOTIR-SJORKVTESA-N 1 3 305.466 2.114 20 30 DEEDHO C=CCCN1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000982152028 635891043 /nfs/dbraw/zinc/89/10/43/635891043.db2.gz PZOTVUGZFZOTIR-SJORKVTESA-N 1 3 305.466 2.114 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001028537247 636328868 /nfs/dbraw/zinc/32/88/68/636328868.db2.gz KOXMBPNIQGPCOC-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001028537247 636328869 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319.493 2.075 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779931 636647503 /nfs/dbraw/zinc/64/75/03/636647503.db2.gz VTRXSRVXCRGIMM-KURKYZTESA-N 1 3 319.493 2.075 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C[C@@H]1C ZINC000947980386 637240040 /nfs/dbraw/zinc/24/00/40/637240040.db2.gz PDMGXIQPHOOYSH-ZFWWWQNUSA-N 1 3 304.438 2.196 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C[C@@H]1C ZINC000947980386 637240042 /nfs/dbraw/zinc/24/00/42/637240042.db2.gz PDMGXIQPHOOYSH-ZFWWWQNUSA-N 1 3 304.438 2.196 20 30 DEEDHO C=CCN1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+](CCC)C3)CCC[C@@H]12 ZINC000992149866 646874857 /nfs/dbraw/zinc/87/48/57/646874857.db2.gz OEIDLEFWLWIASP-YQVWRLOYSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCN1CC[C@]2(NC(=O)[C@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC000992149866 646874860 /nfs/dbraw/zinc/87/48/60/646874860.db2.gz OEIDLEFWLWIASP-YQVWRLOYSA-N 1 3 319.493 2.408 20 30 DEEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C(C)(C)C1 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QTELGCVOYWXCBD-MSOLQXFVSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001054148522 693863021 /nfs/dbraw/zinc/86/30/21/693863021.db2.gz PDTRJKYTAOWKLH-HKUYNNGSSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001054148522 693863025 /nfs/dbraw/zinc/86/30/25/693863025.db2.gz PDTRJKYTAOWKLH-HKUYNNGSSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205448 693882494 /nfs/dbraw/zinc/88/24/94/693882494.db2.gz RPXZMAGDDPPRNI-SFHVURJKSA-N 1 3 316.449 2.233 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205448 693882498 /nfs/dbraw/zinc/88/24/98/693882498.db2.gz RPXZMAGDDPPRNI-SFHVURJKSA-N 1 3 316.449 2.233 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001016860957 687720400 /nfs/dbraw/zinc/72/04/00/687720400.db2.gz LHKDQHMREYLXFX-DLBZAZTESA-N 1 3 319.493 2.406 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001016862122 687720501 /nfs/dbraw/zinc/72/05/01/687720501.db2.gz RUKXVHQORSYBJZ-DLBZAZTESA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)Cc2nc[nH]c2C)CC1 ZINC001016949181 687741675 /nfs/dbraw/zinc/74/16/75/687741675.db2.gz CBBZOXSZKYHDMQ-INIZCTEOSA-N 1 3 316.449 2.198 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)N2CCCCC2)C1 ZINC001033077998 689378740 /nfs/dbraw/zinc/37/87/40/689378740.db2.gz VDWHDGNRNFXDNM-INIZCTEOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)N2CCCCC2)C1 ZINC001033077998 689378743 /nfs/dbraw/zinc/37/87/43/689378743.db2.gz VDWHDGNRNFXDNM-INIZCTEOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CN1CC[C@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033145577 689403968 /nfs/dbraw/zinc/40/39/68/689403968.db2.gz IGFHBOBGHLOKIE-IRXDYDNUSA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CN1CC[C@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033145577 689403970 /nfs/dbraw/zinc/40/39/70/689403970.db2.gz IGFHBOBGHLOKIE-IRXDYDNUSA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033684940 689583617 /nfs/dbraw/zinc/58/36/17/689583617.db2.gz JHSYKDRFHFTJPA-QGZVFWFLSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CCN1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001034238933 689777137 /nfs/dbraw/zinc/77/71/37/689777137.db2.gz OYCSMMFXJOQQBN-SJORKVTESA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCN1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034238933 689777139 /nfs/dbraw/zinc/77/71/39/689777139.db2.gz OYCSMMFXJOQQBN-SJORKVTESA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001034240959 689777859 /nfs/dbraw/zinc/77/78/59/689777859.db2.gz VHEULQUQZWAHCO-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001034240959 689777861 /nfs/dbraw/zinc/77/78/61/689777861.db2.gz VHEULQUQZWAHCO-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001034240953 689778131 /nfs/dbraw/zinc/77/81/31/689778131.db2.gz VHEULQUQZWAHCO-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001034240953 689778133 /nfs/dbraw/zinc/77/81/33/689778133.db2.gz VHEULQUQZWAHCO-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000876709384 689911405 /nfs/dbraw/zinc/91/14/05/689911405.db2.gz QIZAQZVKAACQHG-HZPDHXFCSA-N 1 3 321.852 2.410 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000876717500 689913718 /nfs/dbraw/zinc/91/37/18/689913718.db2.gz GPIIUOQZYAQHGT-ZIAGYGMSSA-N 1 3 303.878 2.329 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000876725808 689916819 /nfs/dbraw/zinc/91/68/19/689916819.db2.gz XXGOSJXVBXROOE-TZMCWYRMSA-N 1 3 301.862 2.085 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000876725808 689916821 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/nfs/dbraw/zinc/71/54/32/797715432.db2.gz UPVHQUGPXVVUFY-PBHICJAKSA-N 1 3 313.461 2.212 20 30 DEEDHO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001155238012 797715437 /nfs/dbraw/zinc/71/54/37/797715437.db2.gz UPVHQUGPXVVUFY-PBHICJAKSA-N 1 3 313.461 2.212 20 30 DEEDHO C=C(C)C[N@H+]1CC=C(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001160360311 798679516 /nfs/dbraw/zinc/67/95/16/798679516.db2.gz ONHHKXABRMPDMD-UHFFFAOYSA-N 1 3 305.466 2.185 20 30 DEEDHO C=C(C)C[N@@H+]1CC=C(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001160360311 798679518 /nfs/dbraw/zinc/67/95/18/798679518.db2.gz ONHHKXABRMPDMD-UHFFFAOYSA-N 1 3 305.466 2.185 20 30 DEEDHO C=CCC[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160367995 798680030 /nfs/dbraw/zinc/68/00/30/798680030.db2.gz YAYNXEHKCUUNOZ-KRWDZBQOSA-N 1 3 305.466 2.041 20 30 DEEDHO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160367995 798680032 /nfs/dbraw/zinc/68/00/32/798680032.db2.gz YAYNXEHKCUUNOZ-KRWDZBQOSA-N 1 3 305.466 2.041 20 30 DEEDHO C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160367996 798680386 /nfs/dbraw/zinc/68/03/86/798680386.db2.gz YAYNXEHKCUUNOZ-QGZVFWFLSA-N 1 3 305.466 2.041 20 30 DEEDHO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160367996 798680389 /nfs/dbraw/zinc/68/03/89/798680389.db2.gz YAYNXEHKCUUNOZ-QGZVFWFLSA-N 1 3 305.466 2.041 20 30 DEEDHO C=CCC[N@H+]1CC=C(CCNC(=O)C(C)(C)N(C)CC)CC1 ZINC001160518908 798698998 /nfs/dbraw/zinc/69/89/98/798698998.db2.gz SUFJYRQMYRARNV-UHFFFAOYSA-N 1 3 307.482 2.431 20 30 DEEDHO C=CCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)N(C)CC)CC1 ZINC001160518908 798698999 /nfs/dbraw/zinc/69/89/99/798698999.db2.gz SUFJYRQMYRARNV-UHFFFAOYSA-N 1 3 307.482 2.431 20 30 DEEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001153368764 799018055 /nfs/dbraw/zinc/01/80/55/799018055.db2.gz XKISKIWVNOMPGS-MRXNPFEDSA-N 1 3 307.482 2.101 20 30 DEEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001153368764 799018064 /nfs/dbraw/zinc/01/80/64/799018064.db2.gz XKISKIWVNOMPGS-MRXNPFEDSA-N 1 3 307.482 2.101 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001095440035 799597251 /nfs/dbraw/zinc/59/72/51/799597251.db2.gz RIXITVGELXEKFV-HMDCTGQHSA-N 1 3 305.466 2.014 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001095440035 799597252 /nfs/dbraw/zinc/59/72/52/799597252.db2.gz RIXITVGELXEKFV-HMDCTGQHSA-N 1 3 305.466 2.014 20 30 DEEDHO N#Cc1ccccc1N1CCN(CC2CC3(C2)CC[NH2+]CC3)CC1 ZINC001204622120 800241465 /nfs/dbraw/zinc/24/14/65/800241465.db2.gz ZMOYHJISTIKFAG-UHFFFAOYSA-N 1 3 324.472 2.460 20 30 DEEDHO C=C(C)CC[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001205469657 800361637 /nfs/dbraw/zinc/36/16/37/800361637.db2.gz QURSHPUFNPOIAF-UHFFFAOYSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCCCN1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001209262363 801160778 /nfs/dbraw/zinc/16/07/78/801160778.db2.gz UGOHJNRQKWDTFN-UHFFFAOYSA-N 1 3 306.450 2.139 20 30 DEEDHO C=CCCC[NH+]1CCC(NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001230334039 801389473 /nfs/dbraw/zinc/38/94/73/801389473.db2.gz DJIWPMGRLCSHDF-IYBDPMFKSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001234265713 802337003 /nfs/dbraw/zinc/33/70/03/802337003.db2.gz KYYUBBWSWZHPPQ-SJORKVTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001234265713 802337013 /nfs/dbraw/zinc/33/70/13/802337013.db2.gz KYYUBBWSWZHPPQ-SJORKVTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCN1C(C)C ZINC001234265713 802337022 /nfs/dbraw/zinc/33/70/22/802337022.db2.gz KYYUBBWSWZHPPQ-SJORKVTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCN1C(C)C ZINC001234265713 802337028 /nfs/dbraw/zinc/33/70/28/802337028.db2.gz KYYUBBWSWZHPPQ-SJORKVTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCCCCC[C@H](N)C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220159085 802418998 /nfs/dbraw/zinc/41/89/98/802418998.db2.gz MEDXCHNRRDSSCK-XYJFISCASA-N 1 3 307.482 2.489 20 30 DEEDHO C=C(C)C[NH+]1CCC(CNC(=O)C(C)(C)N2CCCC2)CC1 ZINC001224023552 802830446 /nfs/dbraw/zinc/83/04/46/802830446.db2.gz DTHYHNYSFBQFIL-UHFFFAOYSA-N 1 3 307.482 2.265 20 30 DEEDHO CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001228647541 803386979 /nfs/dbraw/zinc/38/69/79/803386979.db2.gz VTPFQDQLCZTARR-HZPDHXFCSA-N 1 3 307.482 2.005 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001368335762 1148417333 /nfs/dbraw/zinc/41/73/33/1148417333.db2.gz JDLQDSKBMYKAQT-KBPBESRZSA-N 1 3 313.873 2.050 20 30 DEEDHO C#CCN1CC[C@@]2(C1)CCCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001500162771 1058535489 /nfs/dbraw/zinc/53/54/89/1058535489.db2.gz RDPHZAGTNXVQCT-LJQANCHMSA-N 1 3 319.493 2.056 20 30 DEEDHO C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)C(C)C)C2 ZINC001500163264 1058536392 /nfs/dbraw/zinc/53/63/92/1058536392.db2.gz UOFXGAUVXHCHPQ-IBGZPJMESA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)C(C)C)C2 ZINC001500163264 1058536416 /nfs/dbraw/zinc/53/64/16/1058536416.db2.gz UOFXGAUVXHCHPQ-IBGZPJMESA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCN(C)CCN(CC)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001467728271 1059694383 /nfs/dbraw/zinc/69/43/83/1059694383.db2.gz CNDOIZIWVZKOQG-KRWDZBQOSA-N 1 3 313.461 2.165 20 30 DEEDHO C=CCN(C)CCN(CC)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001467728271 1059694387 /nfs/dbraw/zinc/69/43/87/1059694387.db2.gz CNDOIZIWVZKOQG-KRWDZBQOSA-N 1 3 313.461 2.165 20 30 DEEDHO C=CCN(C)CCN(CC)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001467728272 1059695048 /nfs/dbraw/zinc/69/50/48/1059695048.db2.gz CNDOIZIWVZKOQG-QGZVFWFLSA-N 1 3 313.461 2.165 20 30 DEEDHO C=CCN(C)CCN(CC)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001467728272 1059695059 /nfs/dbraw/zinc/69/50/59/1059695059.db2.gz CNDOIZIWVZKOQG-QGZVFWFLSA-N 1 3 313.461 2.165 20 30 DEEDHO C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)C ZINC001502532103 1060166656 /nfs/dbraw/zinc/16/66/56/1060166656.db2.gz JZYRNIXBOVTZDD-SFHVURJKSA-N 1 3 315.461 2.057 20 30 DEEDHO C=CCC[N@@H+](CC)CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001505399386 1060531613 /nfs/dbraw/zinc/53/16/13/1060531613.db2.gz JZOTVORXVAHFRR-KRWDZBQOSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCC[N@H+](CC)CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001505399386 1060531633 /nfs/dbraw/zinc/53/16/33/1060531633.db2.gz JZOTVORXVAHFRR-KRWDZBQOSA-N 1 3 309.498 2.463 20 30 DEEDHO C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001480051604 1062245236 /nfs/dbraw/zinc/24/52/36/1062245236.db2.gz SQYWTLLMTWMZBP-IRXDYDNUSA-N 1 3 307.482 2.310 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001507326538 1063099991 /nfs/dbraw/zinc/09/99/91/1063099991.db2.gz VDYKPEXRQBPZOA-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN(CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001567442194 1064200885 /nfs/dbraw/zinc/20/08/85/1064200885.db2.gz GQQMHCRQAOARRY-MRXNPFEDSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCN(CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001567442194 1064200896 /nfs/dbraw/zinc/20/08/96/1064200896.db2.gz GQQMHCRQAOARRY-MRXNPFEDSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001568208673 1064701618 /nfs/dbraw/zinc/70/16/18/1064701618.db2.gz PBGCAPPFXYTNTB-OAHLLOKOSA-N 1 3 303.450 2.280 20 30 DEEDHO C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001267114900 1078592382 /nfs/dbraw/zinc/59/23/82/1078592382.db2.gz MXTNTSCGXOEQHT-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001267114900 1078592386 /nfs/dbraw/zinc/59/23/86/1078592386.db2.gz MXTNTSCGXOEQHT-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[NH2+][C@@H](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001267200501 1078660185 /nfs/dbraw/zinc/66/01/85/1078660185.db2.gz CSAOXTRZSYYHCD-CVEARBPZSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001267293330 1078739487 /nfs/dbraw/zinc/73/94/87/1078739487.db2.gz QKIMOHASDFMUPK-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001267293330 1078739490 /nfs/dbraw/zinc/73/94/90/1078739490.db2.gz QKIMOHASDFMUPK-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCN1CCC(C(=O)NCC[N@H+](CC=C(C)C)CCC)CC1 ZINC001267320508 1078763314 /nfs/dbraw/zinc/76/33/14/1078763314.db2.gz MPMUBMQYJVDCPU-UHFFFAOYSA-N 1 3 319.493 2.126 20 30 DEEDHO C#CCN1CCC(C(=O)NCC[N@@H+](CC=C(C)C)CCC)CC1 ZINC001267320508 1078763322 /nfs/dbraw/zinc/76/33/22/1078763322.db2.gz MPMUBMQYJVDCPU-UHFFFAOYSA-N 1 3 319.493 2.126 20 30 DEEDHO CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001267568716 1079004283 /nfs/dbraw/zinc/00/42/83/1079004283.db2.gz XDAKXXYUEONHPT-MSOLQXFVSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001267568716 1079004293 /nfs/dbraw/zinc/00/42/93/1079004293.db2.gz XDAKXXYUEONHPT-MSOLQXFVSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001483935515 1079195546 /nfs/dbraw/zinc/19/55/46/1079195546.db2.gz XNBBXHJJKYLAGQ-HZPDHXFCSA-N 1 3 307.482 2.406 20 30 DEEDHO CC[C@@H](C[NH+]1CCCC1)NCCC(=O)Nc1cccc(C#N)c1 ZINC001649844054 1079257887 /nfs/dbraw/zinc/25/78/87/1079257887.db2.gz UAZKLQIXVYBCAM-INIZCTEOSA-N 1 3 314.433 2.351 20 30 DEEDHO C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001481340384 1079734656 /nfs/dbraw/zinc/73/46/56/1079734656.db2.gz QLVYUSWLUJPIDJ-DOTOQJQBSA-N 1 3 309.498 2.365 20 30 DEEDHO C=CCC[N@@H+](C)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001268199705 1080185437 /nfs/dbraw/zinc/18/54/37/1080185437.db2.gz LIDXKEXJYLAVAH-UHFFFAOYSA-N 1 3 304.438 2.089 20 30 DEEDHO C=CCC[N@H+](C)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001268199705 1080185442 /nfs/dbraw/zinc/18/54/42/1080185442.db2.gz LIDXKEXJYLAVAH-UHFFFAOYSA-N 1 3 304.438 2.089 20 30 DEEDHO C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)CN1CCC(C)CC1 ZINC001268252117 1080232733 /nfs/dbraw/zinc/23/27/33/1080232733.db2.gz PAEOEHLOBYMGRG-KRWDZBQOSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)CN1CCC(C)CC1 ZINC001268252117 1080232741 /nfs/dbraw/zinc/23/27/41/1080232741.db2.gz PAEOEHLOBYMGRG-KRWDZBQOSA-N 1 3 309.498 2.463 20 30 DEEDHO C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001485524908 1080282280 /nfs/dbraw/zinc/28/22/80/1080282280.db2.gz CAZLQLBUPGPDNX-OAHLLOKOSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC001660788018 1080396820 /nfs/dbraw/zinc/39/68/20/1080396820.db2.gz ZXFFQXNRLLSMOZ-CQSZACIVSA-N 1 3 304.438 2.230 20 30 DEEDHO C=CCC[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001662863788 1080669957 /nfs/dbraw/zinc/66/99/57/1080669957.db2.gz YYHQMRNJXOHTBM-ZBFHGGJFSA-N 1 3 304.438 2.230 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001662863788 1080669962 /nfs/dbraw/zinc/66/99/62/1080669962.db2.gz YYHQMRNJXOHTBM-ZBFHGGJFSA-N 1 3 304.438 2.230 20 30 DEEDHO C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H](CC)N(C)C)CC2 ZINC001666828891 1081183761 /nfs/dbraw/zinc/18/37/61/1081183761.db2.gz CPFCCLFUJRLNIB-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001270991915 1081866577 /nfs/dbraw/zinc/86/65/77/1081866577.db2.gz QWOVWKWLSNRIDS-WMZOPIPTSA-N 1 3 307.482 2.123 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001270991915 1081866585 /nfs/dbraw/zinc/86/65/85/1081866585.db2.gz QWOVWKWLSNRIDS-WMZOPIPTSA-N 1 3 307.482 2.123 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001270991914 1081867313 /nfs/dbraw/zinc/86/73/13/1081867313.db2.gz QWOVWKWLSNRIDS-SJLPKXTDSA-N 1 3 307.482 2.123 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001270991914 1081867319 /nfs/dbraw/zinc/86/73/19/1081867319.db2.gz QWOVWKWLSNRIDS-SJLPKXTDSA-N 1 3 307.482 2.123 20 30 DEEDHO C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001271541766 1082077308 /nfs/dbraw/zinc/07/73/08/1082077308.db2.gz YVGPXEIRWOZUBN-SJORKVTESA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001271717915 1082118463 /nfs/dbraw/zinc/11/84/63/1082118463.db2.gz YAYOTEAQWGSENJ-WBVHZDCISA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCC[N@H+](CCC)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001266573345 1082167227 /nfs/dbraw/zinc/16/72/27/1082167227.db2.gz QPGHOQSWAILBQM-QGZVFWFLSA-N 1 3 307.482 2.101 20 30 DEEDHO C#CCC[N@@H+](CCC)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001266573345 1082167230 /nfs/dbraw/zinc/16/72/30/1082167230.db2.gz QPGHOQSWAILBQM-QGZVFWFLSA-N 1 3 307.482 2.101 20 30 DEEDHO C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)CCC)C2 ZINC001671599516 1082248937 /nfs/dbraw/zinc/24/89/37/1082248937.db2.gz XTKRVYRGKHUXQB-LJQANCHMSA-N 1 3 319.493 2.056 20 30 DEEDHO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)CCC)C2 ZINC001671599516 1082248942 /nfs/dbraw/zinc/24/89/42/1082248942.db2.gz XTKRVYRGKHUXQB-LJQANCHMSA-N 1 3 319.493 2.056 20 30 DEEDHO C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001482678800 1082469728 /nfs/dbraw/zinc/46/97/28/1082469728.db2.gz SWDAZZDTYJWQMH-IRXDYDNUSA-N 1 3 319.493 2.149 20 30 DEEDHO Cc1cc(N2CC[C@H]3[C@@H]2CCN3Cc2cc(C#N)n(C)c2)cc[nH+]1 ZINC001277064900 1083757481 /nfs/dbraw/zinc/75/74/81/1083757481.db2.gz QZVAYZAZGZOAAD-OALUTQOASA-N 1 3 321.428 2.453 20 30 DEEDHO Cn1cc(CN2C[C@@H]3CCN(c4cc[nH+]cc4)[C@@H]3C2)cc1C#N ZINC001277693962 1084097982 /nfs/dbraw/zinc/09/79/82/1084097982.db2.gz NTJAGVDVOTXBSY-MAUKXSAKSA-N 1 3 307.401 2.002 20 30 DEEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001491237192 1084174813 /nfs/dbraw/zinc/17/48/13/1084174813.db2.gz RIGCUBIPMUYMCB-QGZVFWFLSA-N 1 3 307.482 2.409 20 30 DEEDHO C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCCN2CC)CC1 ZINC000964437232 1085227463 /nfs/dbraw/zinc/22/74/63/1085227463.db2.gz NVSAPWIKOUDJIF-OFLPRAFFSA-N 1 3 307.482 2.406 20 30 DEEDHO CC#CC[NH2+]C[C@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)C ZINC001486409479 1085280377 /nfs/dbraw/zinc/28/03/77/1085280377.db2.gz HQKBPKIUFUTPTO-HNNXBMFYSA-N 1 3 309.498 2.108 20 30 DEEDHO C=CCC[NH+]1CCC(C2(NC(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC001486489930 1085369607 /nfs/dbraw/zinc/36/96/07/1085369607.db2.gz BKHRHTMAHVWHBJ-MRXNPFEDSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[NH+]1CCC2(CCN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001671060167 1086361720 /nfs/dbraw/zinc/36/17/20/1086361720.db2.gz XDZZTFUEJBDCSG-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001084476379 1090308715 /nfs/dbraw/zinc/30/87/15/1090308715.db2.gz WAORNWKAMTXAKG-KZNAEPCWSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCCN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001084476379 1090308721 /nfs/dbraw/zinc/30/87/21/1090308721.db2.gz WAORNWKAMTXAKG-KZNAEPCWSA-N 1 3 319.493 2.216 20 30 DEEDHO CC#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCCCN1CC)C(C)C ZINC001276146728 1091597331 /nfs/dbraw/zinc/59/73/31/1091597331.db2.gz JAWABXBEIYLURJ-QZTJIDSGSA-N 1 3 321.509 2.347 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC000948775637 1091929113 /nfs/dbraw/zinc/92/91/13/1091929113.db2.gz NOTPFKBURTZYLV-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC000948775637 1091929122 /nfs/dbraw/zinc/92/91/22/1091929122.db2.gz NOTPFKBURTZYLV-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001488689263 1092688527 /nfs/dbraw/zinc/68/85/27/1092688527.db2.gz KVZZWQBIVMJJDT-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001488689263 1092688531 /nfs/dbraw/zinc/68/85/31/1092688531.db2.gz KVZZWQBIVMJJDT-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001488993087 1092871622 /nfs/dbraw/zinc/87/16/22/1092871622.db2.gz VXVXOPSTKMTYJP-WBVHZDCISA-N 1 3 307.482 2.264 20 30 DEEDHO C#CC[NH2+]C[C@@]1(NC(=O)CN(C)CC(C)(C)C)CCCC[C@H]1C ZINC001495320218 1093159656 /nfs/dbraw/zinc/15/96/56/1093159656.db2.gz JOSUHCSDIJESOL-APWZRJJASA-N 1 3 321.509 2.252 20 30 DEEDHO C=CCN(C)CCN(CC)C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001297373532 1139864328 /nfs/dbraw/zinc/86/43/28/1139864328.db2.gz XFIHGFUYYBDDKB-UHFFFAOYSA-N 1 3 317.477 2.371 20 30 DEEDHO C#CCC[NH2+]C[C@H](NC(=O)[C@H](CC)N(C)C)C1CCCCC1 ZINC001319661590 1140648330 /nfs/dbraw/zinc/64/83/30/1140648330.db2.gz CQLTYAHDHSFUEB-IRXDYDNUSA-N 1 3 307.482 2.005 20 30 DEEDHO C=CCC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001319693332 1140665469 /nfs/dbraw/zinc/66/54/69/1140665469.db2.gz BPQFVBIJBXWIGP-HOTGVXAUSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@H]1CCN[C@@H](C)C1)C2 ZINC001246719894 1141043794 /nfs/dbraw/zinc/04/37/94/1141043794.db2.gz HMXUCLXOFYRCTE-WNRNVDISSA-N 1 3 308.466 2.201 20 30 DEEDHO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@H]1CCN[C@@H](C)C1)C2 ZINC001246719894 1141043805 /nfs/dbraw/zinc/04/38/05/1141043805.db2.gz HMXUCLXOFYRCTE-WNRNVDISSA-N 1 3 308.466 2.201 20 30 DEEDHO C=CCOC[C@]12CCCO[C@@H]1CCN([C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246719894 1141043817 /nfs/dbraw/zinc/04/38/17/1141043817.db2.gz HMXUCLXOFYRCTE-WNRNVDISSA-N 1 3 308.466 2.201 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001321652278 1141322226 /nfs/dbraw/zinc/32/22/26/1141322226.db2.gz GKMYCUWHIGJBIV-RHSMWYFYSA-N 1 3 313.461 2.259 20 30 DEEDHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001324397729 1142070693 /nfs/dbraw/zinc/07/06/93/1142070693.db2.gz YFKRLNPKQTWVMF-FUHWJXTLSA-N 1 3 321.509 2.299 20 30 DEEDHO C=CCCC[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001340882342 1143481042 /nfs/dbraw/zinc/48/10/42/1143481042.db2.gz XTAYWBDDYOJBGR-SZMVWBNQSA-N 1 3 315.461 2.449 20 30 DEEDHO C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001264464282 1144543861 /nfs/dbraw/zinc/54/38/61/1144543861.db2.gz KPJYVTPVGUUDMM-GVDBMIGSSA-N 1 3 307.482 2.311 20 30 DEEDHO CC#CCN(C)CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001264986584 1144619875 /nfs/dbraw/zinc/61/98/75/1144619875.db2.gz PYDFYLLDKGYGJW-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CCN(C)CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001264986584 1144619877 /nfs/dbraw/zinc/61/98/77/1144619877.db2.gz PYDFYLLDKGYGJW-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCC[NH+]1CCC(N(CCC)C(=O)[C@@H](CC)N(C)C)CC1 ZINC001265338791 1144695642 /nfs/dbraw/zinc/69/56/42/1144695642.db2.gz LHGHSMCCUHPGNV-QGZVFWFLSA-N 1 3 307.482 2.053 20 30 DEEDHO C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001265396923 1144702032 /nfs/dbraw/zinc/70/20/32/1144702032.db2.gz NUWXQXGCNBUXMH-OAHLLOKOSA-N 1 3 304.438 2.089 20 30 DEEDHO C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001265396923 1144702033 /nfs/dbraw/zinc/70/20/33/1144702033.db2.gz NUWXQXGCNBUXMH-OAHLLOKOSA-N 1 3 304.438 2.089 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001266219138 1144815578 /nfs/dbraw/zinc/81/55/78/1144815578.db2.gz WEFHKVKMOPMVFZ-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001266219138 1144815579 /nfs/dbraw/zinc/81/55/79/1144815579.db2.gz WEFHKVKMOPMVFZ-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[NH+]1CCC(C2(NC(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001279368520 1144821400 /nfs/dbraw/zinc/82/14/00/1144821400.db2.gz VTVKRUUEFSTNAU-INIZCTEOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)CCC)C[C@@H]21 ZINC001284104938 1145800101 /nfs/dbraw/zinc/80/01/01/1145800101.db2.gz ZXIRSEKEZLFZOL-IXDOHACOSA-N 1 3 307.482 2.121 20 30 DEEDHO CC#CC[NH+]1CCC([C@@H](C)NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001284699330 1145892079 /nfs/dbraw/zinc/89/20/79/1145892079.db2.gz DOPUKCLQJHEALP-MRXNPFEDSA-N 1 3 321.509 2.204 20 30 DEEDHO C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001284722990 1145895395 /nfs/dbraw/zinc/89/53/95/1145895395.db2.gz GRWPJUQHSAATGH-DOTOQJQBSA-N 1 3 309.498 2.365 20 30 DEEDHO C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)CN(C)CC(C)(C)C ZINC001492165542 1147108887 /nfs/dbraw/zinc/10/88/87/1147108887.db2.gz XAOGUOIOZSIFQW-QGZVFWFLSA-N 1 3 321.509 2.348 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)CN(C)CC(C)(C)C ZINC001492165542 1147108896 /nfs/dbraw/zinc/10/88/96/1147108896.db2.gz XAOGUOIOZSIFQW-QGZVFWFLSA-N 1 3 321.509 2.348 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001316994389 1147645684 /nfs/dbraw/zinc/64/56/84/1147645684.db2.gz HXZBBHKOQPIFEO-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001316994389 1147645686 /nfs/dbraw/zinc/64/56/86/1147645686.db2.gz HXZBBHKOQPIFEO-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCN1CCC[C@H]([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317204299 1147676061 /nfs/dbraw/zinc/67/60/61/1147676061.db2.gz MGFLFQWUKNYBHP-MSOLQXFVSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCC[NH2+]C1CCC(NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001317218487 1147678914 /nfs/dbraw/zinc/67/89/14/1147678914.db2.gz SVXNGRZCAVGZCP-UHFFFAOYSA-N 1 3 319.493 2.291 20 30 DEEDHO CC#CC[N@H+](CCCNC(=O)CN(C)CC(C)(C)C)C(C)C ZINC001317701567 1147745471 /nfs/dbraw/zinc/74/54/71/1147745471.db2.gz CXNCNSKZORGZAV-UHFFFAOYSA-N 1 3 309.498 2.204 20 30 DEEDHO CC#CC[N@@H+](CCCNC(=O)CN(C)CC(C)(C)C)C(C)C ZINC001317701567 1147745473 /nfs/dbraw/zinc/74/54/73/1147745473.db2.gz CXNCNSKZORGZAV-UHFFFAOYSA-N 1 3 309.498 2.204 20 30 DEEDHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000072859274 191241542 /nfs/dbraw/zinc/24/15/42/191241542.db2.gz OTJOAHIFQXQDHO-INIZCTEOSA-N 1 3 314.433 2.160 20 30 DEEDHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000072859274 191241545 /nfs/dbraw/zinc/24/15/45/191241545.db2.gz OTJOAHIFQXQDHO-INIZCTEOSA-N 1 3 314.433 2.160 20 30 DEEDHO C#CCN1CCC(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000068084844 354795362 /nfs/dbraw/zinc/79/53/62/354795362.db2.gz IRKRZRIJYUVEHY-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCN1CCC(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000068084844 354795368 /nfs/dbraw/zinc/79/53/68/354795368.db2.gz IRKRZRIJYUVEHY-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000081687376 355444143 /nfs/dbraw/zinc/44/41/43/355444143.db2.gz WDNMEJZHHHJJGL-DOTOQJQBSA-N 1 3 305.466 2.018 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000081687376 355444146 /nfs/dbraw/zinc/44/41/46/355444146.db2.gz WDNMEJZHHHJJGL-DOTOQJQBSA-N 1 3 305.466 2.018 20 30 DEEDHO [NH2+]=C(NCCN1CCCCCC1)N[C@H]1CCOc2ccccc21 ZINC000083031560 355462514 /nfs/dbraw/zinc/46/25/14/355462514.db2.gz VEWWQSXYJXTPRU-INIZCTEOSA-N 1 3 316.449 2.291 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000601317370 360005409 /nfs/dbraw/zinc/00/54/09/360005409.db2.gz BHSOSMDWCKDVHD-KRWDZBQOSA-N 1 3 322.497 2.199 20 30 DEEDHO CC(C)N1CCN(C2CC[NH+](C[C@H](C)CCC#N)CC2)CC1 ZINC000602486059 360402719 /nfs/dbraw/zinc/40/27/19/360402719.db2.gz UUBIRZBOJBRJSL-QGZVFWFLSA-N 1 3 306.498 2.417 20 30 DEEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc(C#N)c1 ZINC000349038486 146343232 /nfs/dbraw/zinc/34/32/32/146343232.db2.gz SFKGZIZCGYKBBB-LJQANCHMSA-N 1 3 314.477 2.406 20 30 DEEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc(C#N)c1 ZINC000349038486 146343234 /nfs/dbraw/zinc/34/32/34/146343234.db2.gz SFKGZIZCGYKBBB-LJQANCHMSA-N 1 3 314.477 2.406 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)CC1 ZINC000112914940 401761695 /nfs/dbraw/zinc/76/16/95/401761695.db2.gz UHSQEGUEJLLVML-GOSISDBHSA-N 1 3 321.509 2.204 20 30 DEEDHO C=CCN1CCC(NC(=O)N(CCC)CCC[NH+](C)C)CC1 ZINC000189405532 402536154 /nfs/dbraw/zinc/53/61/54/402536154.db2.gz GSMIIAIOPXFURV-UHFFFAOYSA-N 1 3 310.486 2.010 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)C(C)C ZINC000342766489 403341793 /nfs/dbraw/zinc/34/17/93/403341793.db2.gz VLMBJAUKKFIHEB-BRWVUGGUSA-N 1 3 307.482 2.189 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000417059880 405023481 /nfs/dbraw/zinc/02/34/81/405023481.db2.gz IXWMQLVAMBWAQW-BRWVUGGUSA-N 1 3 322.497 2.064 20 30 DEEDHO C=CCN1CCC([NH2+][C@@H]2CCN(CCCOCC)C[C@@H]2C)CC1 ZINC000361226921 404982933 /nfs/dbraw/zinc/98/29/33/404982933.db2.gz DFQCPNHLSDAQFU-PKOBYXMFSA-N 1 3 323.525 2.363 20 30 DEEDHO C#CCN1CCC(C(=O)N(CCC)CC[NH+]2CCCCC2)CC1 ZINC000491095962 406527615 /nfs/dbraw/zinc/52/76/15/406527615.db2.gz OBLIHPNJMHWNIQ-UHFFFAOYSA-N 1 3 319.493 2.056 20 30 DEEDHO C#C[C@H](NC(=[NH2+])NC[C@H]1CCCN1CC)c1ccc(F)cc1 ZINC000491523826 406610588 /nfs/dbraw/zinc/61/05/88/406610588.db2.gz HNQYFCLTPQPZKP-CVEARBPZSA-N 1 3 302.397 2.098 20 30 DEEDHO CN(C)C(=[NH+]CC1(N2CCSCC2)CCCCC1)N(C)C ZINC000262516764 225276004 /nfs/dbraw/zinc/27/60/04/225276004.db2.gz GQIAQERWSGFMOC-UHFFFAOYSA-N 1 3 312.527 2.217 20 30 DEEDHO C=C(C)COCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422987865 276864052 /nfs/dbraw/zinc/86/40/52/276864052.db2.gz HOLXUKSFERQLEJ-AEFFLSMTSA-N 1 3 302.418 2.425 20 30 DEEDHO C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001398838203 1161118328 /nfs/dbraw/zinc/11/83/28/1161118328.db2.gz GOHLWNSHGFOWSJ-YMAMQOFZSA-N 1 3 315.889 2.342 20 30 DEEDHO C#CCCN1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001330245866 1149079643 /nfs/dbraw/zinc/07/96/43/1149079643.db2.gz YKIGQRIKKSGJCA-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(Cl)CNC[C@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001378930296 1152495029 /nfs/dbraw/zinc/49/50/29/1152495029.db2.gz WJOGQRZEQUFGJD-HIFRSBDPSA-N 1 3 315.889 2.297 20 30 DEEDHO C=C(Cl)CNC[C@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001378930296 1152495030 /nfs/dbraw/zinc/49/50/30/1152495030.db2.gz WJOGQRZEQUFGJD-HIFRSBDPSA-N 1 3 315.889 2.297 20 30 DEEDHO C=CCN1CCC(NC(N[C@@H]2C[C@](C)(OC)C2(C)C)=[NH+]C)CC1 ZINC000262452885 526415009 /nfs/dbraw/zinc/41/50/09/526415009.db2.gz WHGDDLIULJJCBY-QAPCUYQASA-N 1 3 322.497 2.005 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCC(F)(F)C1 ZINC000261899602 529073519 /nfs/dbraw/zinc/07/35/19/529073519.db2.gz WJQPGYYNJKUZII-QWHCGFSZSA-N 1 3 302.413 2.201 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nc(C(C)(C)C)cs1 ZINC000267393857 529073590 /nfs/dbraw/zinc/07/35/90/529073590.db2.gz DNLHJWSNWFHZGB-GFCCVEGCSA-N 1 3 323.510 2.329 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCCC1(F)F ZINC000263025731 529100504 /nfs/dbraw/zinc/10/05/04/529100504.db2.gz AORJJXLOLYARNL-STQMWFEESA-N 1 3 302.413 2.201 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001020927285 623191825 /nfs/dbraw/zinc/19/18/25/623191825.db2.gz KWBCOUCJIPSCFL-ZQDZILKHSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000998763162 634398859 /nfs/dbraw/zinc/39/88/59/634398859.db2.gz LUQDQBPMTJXSPF-YMAMQOFZSA-N 1 3 313.873 2.191 20 30 DEEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998763162 634398865 /nfs/dbraw/zinc/39/88/65/634398865.db2.gz LUQDQBPMTJXSPF-YMAMQOFZSA-N 1 3 313.873 2.191 20 30 DEEDHO C=C(C)CN1CCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027964823 635100624 /nfs/dbraw/zinc/10/06/24/635100624.db2.gz PEHFHERNCCUOBW-INIZCTEOSA-N 1 3 305.466 2.019 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC001027985574 635168559 /nfs/dbraw/zinc/16/85/59/635168559.db2.gz LEOVVMFMFJPQAB-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC001027985574 635168565 /nfs/dbraw/zinc/16/85/65/635168565.db2.gz LEOVVMFMFJPQAB-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC000981091785 635304655 /nfs/dbraw/zinc/30/46/55/635304655.db2.gz QSKOFJBDIJSVPS-HOTGVXAUSA-N 1 3 307.482 2.454 20 30 DEEDHO C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2CCCN2CCC)CC1 ZINC000981283571 635421676 /nfs/dbraw/zinc/42/16/76/635421676.db2.gz XVADCYHEKWYBBC-QGZVFWFLSA-N 1 3 307.482 2.361 20 30 DEEDHO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2CCCN2CCC)CC1 ZINC000981283571 635421678 /nfs/dbraw/zinc/42/16/78/635421678.db2.gz XVADCYHEKWYBBC-QGZVFWFLSA-N 1 3 307.482 2.361 20 30 DEEDHO C=C(C)CC[NH+]1CCC(NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001003424587 635965466 /nfs/dbraw/zinc/96/54/66/635965466.db2.gz TUTWDPBEMQGLDJ-UHFFFAOYSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004546100 636483792 /nfs/dbraw/zinc/48/37/92/636483792.db2.gz GONWTPYIQBQSEH-SJLPKXTDSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004546100 636483793 /nfs/dbraw/zinc/48/37/93/636483793.db2.gz GONWTPYIQBQSEH-SJLPKXTDSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946765770 636623688 /nfs/dbraw/zinc/62/36/88/636623688.db2.gz XPDQYLQKRAJMAD-FGTMMUONSA-N 1 3 321.509 2.319 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946765770 636623691 /nfs/dbraw/zinc/62/36/91/636623691.db2.gz XPDQYLQKRAJMAD-FGTMMUONSA-N 1 3 321.509 2.319 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000763970956 640591228 /nfs/dbraw/zinc/59/12/28/640591228.db2.gz JRYKDCYATDYLOS-QGZVFWFLSA-N 1 3 303.450 2.086 20 30 DEEDHO CC(C)CN1CCC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000818981707 647556937 /nfs/dbraw/zinc/55/69/37/647556937.db2.gz XCYGPCWATKQFRY-GOSISDBHSA-N 1 3 301.434 2.302 20 30 DEEDHO C#CCCN1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000994134662 647791759 /nfs/dbraw/zinc/79/17/59/647791759.db2.gz PORDLELOVZQWKD-AEFFLSMTSA-N 1 3 319.493 2.099 20 30 DEEDHO C#Cc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000854263455 652667700 /nfs/dbraw/zinc/66/77/00/652667700.db2.gz GYSCATDSYSKOOQ-HNNXBMFYSA-N 1 3 316.449 2.061 20 30 DEEDHO C#Cc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000854263455 652667703 /nfs/dbraw/zinc/66/77/03/652667703.db2.gz GYSCATDSYSKOOQ-HNNXBMFYSA-N 1 3 316.449 2.061 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCCCCSC ZINC000305841234 685302821 /nfs/dbraw/zinc/30/28/21/685302821.db2.gz ZGIULIWNBLULEO-CQSZACIVSA-N 1 3 300.516 2.298 20 30 DEEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054145002 693862542 /nfs/dbraw/zinc/86/25/42/693862542.db2.gz HIPHICCYRSNQEX-GOSISDBHSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054145002 693862545 /nfs/dbraw/zinc/86/25/45/693862545.db2.gz HIPHICCYRSNQEX-GOSISDBHSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054198529 693879321 /nfs/dbraw/zinc/87/93/21/693879321.db2.gz ZEDIIAHDFVRSTN-IEBWSBKVSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054198529 693879323 /nfs/dbraw/zinc/87/93/23/693879323.db2.gz ZEDIIAHDFVRSTN-IEBWSBKVSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCCN1Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cc2C1 ZINC001054291988 693917017 /nfs/dbraw/zinc/91/70/17/693917017.db2.gz NVNQCRYLFFCPMJ-QGZVFWFLSA-N 1 3 313.445 2.146 20 30 DEEDHO C=CCCN1Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2C1 ZINC001054291988 693917020 /nfs/dbraw/zinc/91/70/20/693917020.db2.gz NVNQCRYLFFCPMJ-QGZVFWFLSA-N 1 3 313.445 2.146 20 30 DEEDHO C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001016830544 687713090 /nfs/dbraw/zinc/71/30/90/687713090.db2.gz SCNNKNKXECMQNS-JKSUJKDBSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001034748782 689939717 /nfs/dbraw/zinc/93/97/17/689939717.db2.gz CPUZJUNYDDWYMY-BRWVUGGUSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001036027445 690238939 /nfs/dbraw/zinc/23/89/39/690238939.db2.gz BGFSJSRNSGZHIV-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001036300194 690314948 /nfs/dbraw/zinc/31/49/48/690314948.db2.gz AFFDDOWIKLDUMA-CRAIPNDOSA-N 1 3 315.461 2.374 20 30 DEEDHO C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001039388127 691095368 /nfs/dbraw/zinc/09/53/68/691095368.db2.gz BNJNTCHLBNUCGO-ZACQAIPSSA-N 1 3 305.466 2.112 20 30 DEEDHO C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001039388127 691095371 /nfs/dbraw/zinc/09/53/71/691095371.db2.gz BNJNTCHLBNUCGO-ZACQAIPSSA-N 1 3 305.466 2.112 20 30 DEEDHO C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001040542933 691263256 /nfs/dbraw/zinc/26/32/56/691263256.db2.gz GRAFEUBGJMFHBH-PKOBYXMFSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001040542933 691263260 /nfs/dbraw/zinc/26/32/60/691263260.db2.gz GRAFEUBGJMFHBH-PKOBYXMFSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001041692808 691410661 /nfs/dbraw/zinc/41/06/61/691410661.db2.gz OFHOHJKSVQOSKG-FUHWJXTLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001041692808 691410664 /nfs/dbraw/zinc/41/06/64/691410664.db2.gz OFHOHJKSVQOSKG-FUHWJXTLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001041844628 691443960 /nfs/dbraw/zinc/44/39/60/691443960.db2.gz BIQHNEFQGFVNGE-IEBWSBKVSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001041844628 691443961 /nfs/dbraw/zinc/44/39/61/691443961.db2.gz BIQHNEFQGFVNGE-IEBWSBKVSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001042186617 691532094 /nfs/dbraw/zinc/53/20/94/691532094.db2.gz IPQCRJUECCLWAJ-SJORKVTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001042186617 691532097 /nfs/dbraw/zinc/53/20/97/691532097.db2.gz IPQCRJUECCLWAJ-SJORKVTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)[C@H](CO)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000886646482 692146378 /nfs/dbraw/zinc/14/63/78/692146378.db2.gz KETRZTZKZSBPRI-OTWHNJEPSA-N 1 3 300.446 2.377 20 30 DEEDHO C=C(C)[C@H](CO)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000886646482 692146380 /nfs/dbraw/zinc/14/63/80/692146380.db2.gz KETRZTZKZSBPRI-OTWHNJEPSA-N 1 3 300.446 2.377 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046315230 692149563 /nfs/dbraw/zinc/14/95/63/692149563.db2.gz IJIOZXWHHJNBDN-AEFFLSMTSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046315230 692149566 /nfs/dbraw/zinc/14/95/66/692149566.db2.gz IJIOZXWHHJNBDN-AEFFLSMTSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCN1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319950 692152252 /nfs/dbraw/zinc/15/22/52/692152252.db2.gz YXKXWIUANBGSMO-VQIMIIECSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCN1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319950 692152253 /nfs/dbraw/zinc/15/22/53/692152253.db2.gz YXKXWIUANBGSMO-VQIMIIECSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCN1CC[C@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001046851814 692316804 /nfs/dbraw/zinc/31/68/04/692316804.db2.gz IZHIHHVEOYSHQB-SFHVURJKSA-N 1 3 301.434 2.128 20 30 DEEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001049514816 692906835 /nfs/dbraw/zinc/90/68/35/692906835.db2.gz JHCVNUGXQWGHHR-RCCFBDPRSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001049514816 692906839 /nfs/dbraw/zinc/90/68/39/692906839.db2.gz JHCVNUGXQWGHHR-RCCFBDPRSA-N 1 3 319.493 2.216 20 30 DEEDHO C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049566932 692923256 /nfs/dbraw/zinc/92/32/56/692923256.db2.gz HFBNGPJGLFLYLH-IAGOWNOFSA-N 1 3 317.477 2.256 20 30 DEEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001049615452 692940521 /nfs/dbraw/zinc/94/05/21/692940521.db2.gz KCSJPADCBROVDI-KSZLIROESA-N 1 3 317.477 2.112 20 30 DEEDHO C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001050669177 693228274 /nfs/dbraw/zinc/22/82/74/693228274.db2.gz UEBZAXVKBNOCQV-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC001357845450 1152343453 /nfs/dbraw/zinc/34/34/53/1152343453.db2.gz DPETZVNADCPHKD-IXDOHACOSA-N 1 3 319.424 2.071 20 30 DEEDHO CCN1CC[C@H]([N@H+](C)C[C@H](O)c2cccc(C#N)c2)[C@H](C)C1 ZINC001363200611 1153264963 /nfs/dbraw/zinc/26/49/63/1153264963.db2.gz XMDOESCLKZTDMR-JLSDUUJJSA-N 1 3 301.434 2.254 20 30 DEEDHO CCN1CC[C@H]([N@@H+](C)C[C@H](O)c2cccc(C#N)c2)[C@H](C)C1 ZINC001363200611 1153264968 /nfs/dbraw/zinc/26/49/68/1153264968.db2.gz XMDOESCLKZTDMR-JLSDUUJJSA-N 1 3 301.434 2.254 20 30 DEEDHO C=C(Cl)CNC[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C ZINC001394830864 1158806447 /nfs/dbraw/zinc/80/64/47/1158806447.db2.gz DNAKZSBZHKYLJN-CYBMUJFWSA-N 1 3 303.878 2.201 20 30 DEEDHO C=C(Cl)CNC[C@@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C ZINC001394830864 1158806450 /nfs/dbraw/zinc/80/64/50/1158806450.db2.gz DNAKZSBZHKYLJN-CYBMUJFWSA-N 1 3 303.878 2.201 20 30 DEEDHO C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001377124780 1159928658 /nfs/dbraw/zinc/92/86/58/1159928658.db2.gz WHROYRPLWHNRLE-UHFFFAOYSA-N 1 3 315.889 2.440 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCCN1CC ZINC001377524527 1160490042 /nfs/dbraw/zinc/49/00/42/1160490042.db2.gz GNUIYKUCSMOLST-KBPBESRZSA-N 1 3 301.862 2.098 20 30 DEEDHO C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001408095814 1165474982 /nfs/dbraw/zinc/47/49/82/1165474982.db2.gz NRBJSONMLJQUND-AWEZNQCLSA-N 1 3 315.889 2.296 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001418136457 1167433945 /nfs/dbraw/zinc/43/39/45/1167433945.db2.gz FIOYCCIUZNNQDV-HUUCEWRRSA-N 1 3 315.889 2.153 20 30 DEEDHO C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001422294925 1172462793 /nfs/dbraw/zinc/46/27/93/1172462793.db2.gz XLTWITRZKNSXTE-NRXISQOPSA-N 1 3 313.873 2.098 20 30 DEEDHO C=CCC[NH2+]C1CC(CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001100731935 777973444 /nfs/dbraw/zinc/97/34/44/777973444.db2.gz MFJWENRLRCOYCC-GTPINHCMSA-N 1 3 307.482 2.311 20 30 DEEDHO C#CCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001104682517 778021160 /nfs/dbraw/zinc/02/11/60/778021160.db2.gz UCYOKBAPISLXCG-IAGOWNOFSA-N 1 3 321.509 2.062 20 30 DEEDHO C#CCCN1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974686888 778463408 /nfs/dbraw/zinc/46/34/08/778463408.db2.gz YJRKMNUVAXDHDJ-IAGOWNOFSA-N 1 3 319.493 2.099 20 30 DEEDHO C#CCCN1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974686888 778463410 /nfs/dbraw/zinc/46/34/10/778463410.db2.gz YJRKMNUVAXDHDJ-IAGOWNOFSA-N 1 3 319.493 2.099 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H]1CC ZINC001087601521 779373412 /nfs/dbraw/zinc/37/34/12/779373412.db2.gz VZAPGLGLUWNANW-YESZJQIVSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H]1CC ZINC001087601521 779373415 /nfs/dbraw/zinc/37/34/15/779373415.db2.gz VZAPGLGLUWNANW-YESZJQIVSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)[C@H]1CC ZINC001087671954 779406225 /nfs/dbraw/zinc/40/62/25/779406225.db2.gz XBOWXIONXVCYKZ-KSZLIROESA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)[C@H]1CC ZINC001087671954 779406226 /nfs/dbraw/zinc/40/62/26/779406226.db2.gz XBOWXIONXVCYKZ-KSZLIROESA-N 1 3 319.493 2.406 20 30 DEEDHO C#Cc1ccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cc1 ZINC001144578765 790954547 /nfs/dbraw/zinc/95/45/47/790954547.db2.gz NQCYNFPDBOWNPA-UHFFFAOYSA-N 1 3 311.473 2.127 20 30 DEEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001085688587 783967821 /nfs/dbraw/zinc/96/78/21/783967821.db2.gz NQCXXYIYUUVTER-DLBZAZTESA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001085688587 783967832 /nfs/dbraw/zinc/96/78/32/783967832.db2.gz NQCXXYIYUUVTER-DLBZAZTESA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001085778639 784067928 /nfs/dbraw/zinc/06/79/28/784067928.db2.gz CZSSHRHYKACQBA-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001085778639 784067931 /nfs/dbraw/zinc/06/79/31/784067931.db2.gz CZSSHRHYKACQBA-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C#CC[NH2+]C[C@H]1CN(C(=O)CN(C)CCCCCC)CC[C@H]1C ZINC001133186407 788311155 /nfs/dbraw/zinc/31/11/55/788311155.db2.gz UOWSBJLQZBPYJE-MSOLQXFVSA-N 1 3 321.509 2.206 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCC)CC1 ZINC001146614611 791324728 /nfs/dbraw/zinc/32/47/28/791324728.db2.gz ZATWKJJADDXXMT-IAGOWNOFSA-N 1 3 321.509 2.395 20 30 DEEDHO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001098959622 792004280 /nfs/dbraw/zinc/00/42/80/792004280.db2.gz JPGWUYLEULLWJS-SCTDSRPQSA-N 1 3 317.477 2.018 20 30 DEEDHO C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001098959622 792004293 /nfs/dbraw/zinc/00/42/93/792004293.db2.gz JPGWUYLEULLWJS-SCTDSRPQSA-N 1 3 317.477 2.018 20 30 DEEDHO C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001098959622 792004304 /nfs/dbraw/zinc/00/43/04/792004304.db2.gz JPGWUYLEULLWJS-SCTDSRPQSA-N 1 3 317.477 2.018 20 30 DEEDHO C=C(C)C[NH2+]C1CC(CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001100730763 792817599 /nfs/dbraw/zinc/81/75/99/792817599.db2.gz OAWHDOYSSQUYHG-GTPINHCMSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)N(C)CC)C[C@]2(C)C1 ZINC001101284903 793101687 /nfs/dbraw/zinc/10/16/87/793101687.db2.gz DTNCEFBGTPVAKR-APWZRJJASA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)N(C)CC)C[C@]2(C)C1 ZINC001101284903 793101690 /nfs/dbraw/zinc/10/16/90/793101690.db2.gz DTNCEFBGTPVAKR-APWZRJJASA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001094936087 793479991 /nfs/dbraw/zinc/47/99/91/793479991.db2.gz VPAYKSNAUZAACO-JYJNAYRXSA-N 1 3 305.466 2.016 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001102375306 793594302 /nfs/dbraw/zinc/59/43/02/793594302.db2.gz BQPDIDXPWJNMAX-HZPDHXFCSA-N 1 3 309.498 2.225 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001102375306 793594306 /nfs/dbraw/zinc/59/43/06/793594306.db2.gz BQPDIDXPWJNMAX-HZPDHXFCSA-N 1 3 309.498 2.225 20 30 DEEDHO C=CCCC[NH2+]CCCC[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176351440 794411877 /nfs/dbraw/zinc/41/18/77/794411877.db2.gz UFMXDHZVOVHNNR-AWEZNQCLSA-N 1 3 306.454 2.491 20 30 DEEDHO C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)N(CC)CC)C1 ZINC001111869892 794507078 /nfs/dbraw/zinc/50/70/78/794507078.db2.gz OZVKGJKHSBMTTC-LNLFQRSKSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)N(CC)CC)C1 ZINC001111869892 794507083 /nfs/dbraw/zinc/50/70/83/794507083.db2.gz OZVKGJKHSBMTTC-LNLFQRSKSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](CC)N(C)C ZINC001177415518 794665660 /nfs/dbraw/zinc/66/56/60/794665660.db2.gz APCULVPSQUNBNS-SFHVURJKSA-N 1 3 321.509 2.348 20 30 DEEDHO C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CN(CC)CC ZINC001177445889 794678239 /nfs/dbraw/zinc/67/82/39/794678239.db2.gz RUWBSFMYQLJVEF-UHFFFAOYSA-N 1 3 321.509 2.350 20 30 DEEDHO C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001120402880 795453366 /nfs/dbraw/zinc/45/33/66/795453366.db2.gz SUIZCZYWNGWHJA-IRXDYDNUSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001120402880 795453370 /nfs/dbraw/zinc/45/33/70/795453370.db2.gz SUIZCZYWNGWHJA-IRXDYDNUSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001182638215 795716953 /nfs/dbraw/zinc/71/69/53/795716953.db2.gz ZWFKWGORBGARHA-SOLBZPMBSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001182614983 795722025 /nfs/dbraw/zinc/72/20/25/795722025.db2.gz SXYYUJLYKIKEOH-JFIYKMOQSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001184714296 796109364 /nfs/dbraw/zinc/10/93/64/796109364.db2.gz WWJHQWRCDWIMCB-HZPDHXFCSA-N 1 3 309.498 2.367 20 30 DEEDHO C#CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCCCCC)C[C@H]1C ZINC001185316927 796228358 /nfs/dbraw/zinc/22/83/58/796228358.db2.gz KVCCPHQZFDPJID-MSOLQXFVSA-N 1 3 321.509 2.206 20 30 DEEDHO Cc1ccc(CN2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)cc1C#N ZINC001139725422 796417012 /nfs/dbraw/zinc/41/70/12/796417012.db2.gz ORDRQYMMIGFYDP-RBUKOAKNSA-N 1 3 312.461 2.077 20 30 DEEDHO Cc1ccc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)cc1C#N ZINC001139725422 796417015 /nfs/dbraw/zinc/41/70/15/796417015.db2.gz ORDRQYMMIGFYDP-RBUKOAKNSA-N 1 3 312.461 2.077 20 30 DEEDHO C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550896 797404303 /nfs/dbraw/zinc/40/43/03/797404303.db2.gz LUWNBNBJXLOZJJ-MRXNPFEDSA-N 1 3 304.438 2.231 20 30 DEEDHO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550896 797404306 /nfs/dbraw/zinc/40/43/06/797404306.db2.gz LUWNBNBJXLOZJJ-MRXNPFEDSA-N 1 3 304.438 2.231 20 30 DEEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001158082324 798339780 /nfs/dbraw/zinc/33/97/80/798339780.db2.gz BRLYJQNIFBGLRY-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001158082324 798339785 /nfs/dbraw/zinc/33/97/85/798339785.db2.gz BRLYJQNIFBGLRY-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCN1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001160169443 798658201 /nfs/dbraw/zinc/65/82/01/798658201.db2.gz RPQRNCPONXIBCC-DLBZAZTESA-N 1 3 305.466 2.041 20 30 DEEDHO C=CCN1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001160169443 798658202 /nfs/dbraw/zinc/65/82/02/798658202.db2.gz RPQRNCPONXIBCC-DLBZAZTESA-N 1 3 305.466 2.041 20 30 DEEDHO CC#CCN1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160855955 798750225 /nfs/dbraw/zinc/75/02/25/798750225.db2.gz DRUAGVLJVNUQSZ-UHFFFAOYSA-N 1 3 317.477 2.023 20 30 DEEDHO C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001161133730 798800652 /nfs/dbraw/zinc/80/06/52/798800652.db2.gz NYVIYCDESKBDAB-QGZVFWFLSA-N 1 3 307.482 2.287 20 30 DEEDHO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001161133730 798800658 /nfs/dbraw/zinc/80/06/58/798800658.db2.gz NYVIYCDESKBDAB-QGZVFWFLSA-N 1 3 307.482 2.287 20 30 DEEDHO C=CCC[N@H+]1CC=C(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001161220082 798812438 /nfs/dbraw/zinc/81/24/38/798812438.db2.gz SURNDGDQOOQNPE-UHFFFAOYSA-N 1 3 319.493 2.433 20 30 DEEDHO C=CCC[N@@H+]1CC=C(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001161220082 798812442 /nfs/dbraw/zinc/81/24/42/798812442.db2.gz SURNDGDQOOQNPE-UHFFFAOYSA-N 1 3 319.493 2.433 20 30 DEEDHO C=CCN1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161932557 798970848 /nfs/dbraw/zinc/97/08/48/798970848.db2.gz USHLXHGMVOQLNS-UHFFFAOYSA-N 1 3 305.466 2.187 20 30 DEEDHO C=CCCC[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001206274837 800500540 /nfs/dbraw/zinc/50/05/40/800500540.db2.gz LOLHRYCAZFIYEA-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[NH2+]CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001206288514 800502787 /nfs/dbraw/zinc/50/27/87/800502787.db2.gz UPBOJDJRTOLQGK-UHFFFAOYSA-N 1 3 307.482 2.123 20 30 DEEDHO C=CCO[C@@H]1CO[C@@]2(C1)CCCN(C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001208609946 801031019 /nfs/dbraw/zinc/03/10/19/801031019.db2.gz XPQBCBMRJFTWQJ-FGTMMUONSA-N 1 3 308.466 2.154 20 30 DEEDHO C=CCO[C@@H]1CO[C@@]2(C1)CCCN(C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001208609946 801031022 /nfs/dbraw/zinc/03/10/22/801031022.db2.gz XPQBCBMRJFTWQJ-FGTMMUONSA-N 1 3 308.466 2.154 20 30 DEEDHO CC#CCN[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001210585637 801426656 /nfs/dbraw/zinc/42/66/56/801426656.db2.gz RNQUMCYGWSAQAD-ROUUACIJSA-N 1 3 319.493 2.245 20 30 DEEDHO CC#CCN[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210585637 801426661 /nfs/dbraw/zinc/42/66/61/801426661.db2.gz RNQUMCYGWSAQAD-ROUUACIJSA-N 1 3 319.493 2.245 20 30 DEEDHO CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001210585637 801426663 /nfs/dbraw/zinc/42/66/63/801426663.db2.gz RNQUMCYGWSAQAD-ROUUACIJSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214861344 801768139 /nfs/dbraw/zinc/76/81/39/801768139.db2.gz RLBKOCQYPKNPNE-HLLBOEOZSA-N 1 3 307.482 2.262 20 30 DEEDHO COc1cc(CN(C)C)cc(F)c1O[C@H](CC#N)C[N+](C)(C)C ZINC001234243805 802334142 /nfs/dbraw/zinc/33/41/42/802334142.db2.gz KQPPMZMAISHVED-CQSZACIVSA-N 1 3 324.420 2.263 20 30 DEEDHO CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N1CCCCCC1 ZINC001228932203 803432407 /nfs/dbraw/zinc/43/24/07/803432407.db2.gz JYTGPPRPESTJEO-RCCFBDPRSA-N 1 3 319.493 2.291 20 30 DEEDHO C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001500381764 1058737140 /nfs/dbraw/zinc/73/71/40/1058737140.db2.gz DQLSTWOPSXSXQE-IEBWSBKVSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001566069506 1060471919 /nfs/dbraw/zinc/47/19/19/1060471919.db2.gz ZETLRNIFLKATJW-ROUUACIJSA-N 1 3 319.493 2.243 20 30 DEEDHO CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001479452014 1061464029 /nfs/dbraw/zinc/46/40/29/1061464029.db2.gz JEGCITQONKJZCR-DLBZAZTESA-N 1 3 319.493 2.149 20 30 DEEDHO C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)CN(C)CCC)CC1 ZINC001479986055 1062148570 /nfs/dbraw/zinc/14/85/70/1062148570.db2.gz CFDIURQADFGQRB-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001507027625 1062692585 /nfs/dbraw/zinc/69/25/85/1062692585.db2.gz RKLOFCOTRZSCPZ-ROUUACIJSA-N 1 3 319.493 2.099 20 30 DEEDHO CC#CCN[C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001507315581 1063083940 /nfs/dbraw/zinc/08/39/40/1063083940.db2.gz AXTFVKSDGNXQGX-IAGOWNOFSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001567699520 1064355811 /nfs/dbraw/zinc/35/58/11/1064355811.db2.gz MMKXQCXMMWSNDF-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CC[N@H+]1CC[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001567699520 1064355817 /nfs/dbraw/zinc/35/58/17/1064355817.db2.gz MMKXQCXMMWSNDF-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCC[NH2+][C@H](CC)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001567976829 1064574954 /nfs/dbraw/zinc/57/49/54/1064574954.db2.gz KQGSLOPWSNDOJW-RHSMWYFYSA-N 1 3 313.461 2.259 20 30 DEEDHO CC#CC[NH2+]C[C@@]1(NC(=O)CN(C)CCC)CCCC[C@H]1C ZINC001568043479 1064615064 /nfs/dbraw/zinc/61/50/64/1064615064.db2.gz KWMVYZLQVUPTAH-AEFFLSMTSA-N 1 3 307.482 2.006 20 30 DEEDHO C#CCC[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C1CCCCC1 ZINC001568348820 1064794302 /nfs/dbraw/zinc/79/43/02/1064794302.db2.gz KBGWDTAGXNHFSP-QGZVFWFLSA-N 1 3 307.482 2.005 20 30 DEEDHO CC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H](C)N1CCCCCC1)C1CC1 ZINC001495283121 1064806913 /nfs/dbraw/zinc/80/69/13/1064806913.db2.gz WBYCPIPUNPHHSG-VQIMIIECSA-N 1 3 319.493 2.149 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001568535576 1064946878 /nfs/dbraw/zinc/94/68/78/1064946878.db2.gz FQRVDRHVOACOAB-JKSUJKDBSA-N 1 3 309.498 2.415 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1nc[nH]c1C ZINC001568542137 1064953940 /nfs/dbraw/zinc/95/39/40/1064953940.db2.gz ZMMNFZDIAKHKBR-CABCVRRESA-N 1 3 304.438 2.101 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]CC=C(C)C)C(C)C)CC1 ZINC001496639833 1065612596 /nfs/dbraw/zinc/61/25/96/1065612596.db2.gz TXFLOYKUOYMRPV-GOSISDBHSA-N 1 3 319.493 2.028 20 30 DEEDHO C=CCN(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001496706024 1065661516 /nfs/dbraw/zinc/66/15/16/1065661516.db2.gz YWQLJVQNLDUSEH-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCN(C)CCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001496706024 1065661523 /nfs/dbraw/zinc/66/15/23/1065661523.db2.gz YWQLJVQNLDUSEH-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[NH2+]C1(CC)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001570256877 1065994502 /nfs/dbraw/zinc/99/45/02/1065994502.db2.gz WXPDGLHWHNVIRP-UHFFFAOYSA-N 1 3 307.482 2.408 20 30 DEEDHO CC#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001327309156 1148520041 /nfs/dbraw/zinc/52/00/41/1148520041.db2.gz UJFMJVWMICSRDM-ROUUACIJSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCCCN1CC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001499094989 1067089288 /nfs/dbraw/zinc/08/92/88/1067089288.db2.gz HPCMTNPTADTJPB-GOSISDBHSA-N 1 3 319.493 2.265 20 30 DEEDHO N#CCCC[C@@H](N)C(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC001580047558 1067481755 /nfs/dbraw/zinc/48/17/55/1067481755.db2.gz KNAZXQIEKAPMFA-QGZVFWFLSA-N 1 3 320.481 2.265 20 30 DEEDHO C=CCN1CC=C(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001279565991 1078549315 /nfs/dbraw/zinc/54/93/15/1078549315.db2.gz VJQCNIOBUPRUAN-UHFFFAOYSA-N 1 3 305.466 2.185 20 30 DEEDHO CC#CCN1CCC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001571649096 1068458688 /nfs/dbraw/zinc/45/86/88/1068458688.db2.gz ROQOHHMLMTXWPW-INIZCTEOSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001483800907 1079129340 /nfs/dbraw/zinc/12/93/40/1079129340.db2.gz FDXRHJNKDABBBF-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001483800907 1079129342 /nfs/dbraw/zinc/12/93/42/1079129342.db2.gz FDXRHJNKDABBBF-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCCN1CC ZINC001483959646 1079204920 /nfs/dbraw/zinc/20/49/20/1079204920.db2.gz ZTTZSJIJTAGIOV-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCN1CC[C@H](NC(=O)CCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001566130998 1075235048 /nfs/dbraw/zinc/23/50/48/1075235048.db2.gz FOKAHPPWNBOJNB-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001566947932 1075395922 /nfs/dbraw/zinc/39/59/22/1075395922.db2.gz NBJPYYYIEDBDFT-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1CCC ZINC001566972839 1075405846 /nfs/dbraw/zinc/40/58/46/1075405846.db2.gz NHUXMSYWIUWUMM-ZBRFXRBCSA-N 1 3 319.493 2.262 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1CCC ZINC001566972839 1075405850 /nfs/dbraw/zinc/40/58/50/1075405850.db2.gz NHUXMSYWIUWUMM-ZBRFXRBCSA-N 1 3 319.493 2.262 20 30 DEEDHO C=C(C)CC[NH2+]C1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001566987786 1075409168 /nfs/dbraw/zinc/40/91/68/1075409168.db2.gz LSMJEPCZIYTYEV-GTPINHCMSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001267753844 1079454538 /nfs/dbraw/zinc/45/45/38/1079454538.db2.gz OOANATNAGKNFRS-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001267753844 1079454542 /nfs/dbraw/zinc/45/45/42/1079454542.db2.gz OOANATNAGKNFRS-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(CCC)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001481409831 1079798245 /nfs/dbraw/zinc/79/82/45/1079798245.db2.gz ULFDLQHBIHWGEM-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(CCC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481409831 1079798250 /nfs/dbraw/zinc/79/82/50/1079798250.db2.gz ULFDLQHBIHWGEM-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481489336 1079946936 /nfs/dbraw/zinc/94/69/36/1079946936.db2.gz PKXLNUFMMITTSY-SJORKVTESA-N 1 3 309.498 2.319 20 30 DEEDHO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481489336 1079946940 /nfs/dbraw/zinc/94/69/40/1079946940.db2.gz PKXLNUFMMITTSY-SJORKVTESA-N 1 3 309.498 2.319 20 30 DEEDHO C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001656225291 1080069697 /nfs/dbraw/zinc/06/96/97/1080069697.db2.gz HGZMLBBITFEZEB-ULQDDVLXSA-N 1 3 307.482 2.310 20 30 DEEDHO C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001657076268 1080152398 /nfs/dbraw/zinc/15/23/98/1080152398.db2.gz VABWBEFVOPRBKM-INIZCTEOSA-N 1 3 304.438 2.231 20 30 DEEDHO C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001657076268 1080152400 /nfs/dbraw/zinc/15/24/00/1080152400.db2.gz VABWBEFVOPRBKM-INIZCTEOSA-N 1 3 304.438 2.231 20 30 DEEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)CCC ZINC001099553884 1080525146 /nfs/dbraw/zinc/52/51/46/1080525146.db2.gz WLSLEGYJGVLOKE-MLHJIOFPSA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)CCC ZINC001099553884 1080525151 /nfs/dbraw/zinc/52/51/51/1080525151.db2.gz WLSLEGYJGVLOKE-MLHJIOFPSA-N 1 3 319.493 2.073 20 30 DEEDHO CC#CC[NH2+]C[C@@]1(NC(=O)CN(C)C(C)C)CCCC[C@@H]1C ZINC001481964832 1080656766 /nfs/dbraw/zinc/65/67/66/1080656766.db2.gz TWVYRLRFJVIKOR-WMZOPIPTSA-N 1 3 307.482 2.005 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001663548651 1080773443 /nfs/dbraw/zinc/77/34/43/1080773443.db2.gz UYESRBSPXGVNSO-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001663548651 1080773452 /nfs/dbraw/zinc/77/34/52/1080773452.db2.gz UYESRBSPXGVNSO-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[NH2+][C@H](CNC(=O)[C@H](CC)N(C)C)c1ccccc1 ZINC001664593547 1080930262 /nfs/dbraw/zinc/93/02/62/1080930262.db2.gz ZWLGNVQEBVRGSN-SJORKVTESA-N 1 3 303.450 2.350 20 30 DEEDHO C=C(C)C[NH2+]C[C@]1(NC(=O)Cc2nc[nH]c2C)CCCC[C@H]1C ZINC001666067727 1081118359 /nfs/dbraw/zinc/11/83/59/1081118359.db2.gz HIPSVQUUSPYPKR-RDTXWAMCSA-N 1 3 318.465 2.491 20 30 DEEDHO C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001667285478 1081233696 /nfs/dbraw/zinc/23/36/96/1081233696.db2.gz SBIPJVFWAGRPGN-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001667416581 1081250657 /nfs/dbraw/zinc/25/06/57/1081250657.db2.gz AJFHEALIONLICR-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001667416581 1081250663 /nfs/dbraw/zinc/25/06/63/1081250663.db2.gz AJFHEALIONLICR-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO CC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)CCCCCC)[C@H](C)C1 ZINC001269971355 1081413191 /nfs/dbraw/zinc/41/31/91/1081413191.db2.gz GNQOZNMPLDVGEL-QZTJIDSGSA-N 1 3 321.509 2.491 20 30 DEEDHO CC#CCN1CCC[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001271017719 1081877459 /nfs/dbraw/zinc/87/74/59/1081877459.db2.gz VJWHQGUHEXZPEA-LJQANCHMSA-N 1 3 319.493 2.104 20 30 DEEDHO C=CCCN1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001266251636 1081917673 /nfs/dbraw/zinc/91/76/73/1081917673.db2.gz DTNNUOAYKIEJPF-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001266466396 1082055444 /nfs/dbraw/zinc/05/54/44/1082055444.db2.gz NYMUGPZSJHDMCH-ZWKOTPCHSA-N 1 3 321.509 2.465 20 30 DEEDHO C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001266466396 1082055447 /nfs/dbraw/zinc/05/54/47/1082055447.db2.gz NYMUGPZSJHDMCH-ZWKOTPCHSA-N 1 3 321.509 2.465 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001271717914 1082118318 /nfs/dbraw/zinc/11/83/18/1082118318.db2.gz YAYOTEAQWGSENJ-RDJZCZTQSA-N 1 3 307.482 2.264 20 30 DEEDHO Cc1cc(CN2CCC3(C2)CC[NH+](CCCC#N)CC3)n(C)n1 ZINC001277945304 1084429225 /nfs/dbraw/zinc/42/92/25/1084429225.db2.gz VMYHVIZNLSYSML-UHFFFAOYSA-N 1 3 315.465 2.320 20 30 DEEDHO C=CCN1CC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)CCC[C@H]12 ZINC001486146250 1085090373 /nfs/dbraw/zinc/09/03/73/1085090373.db2.gz MKQNYRVMWQLEQO-SOLBZPMBSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961180374 1085626863 /nfs/dbraw/zinc/62/68/63/1085626863.db2.gz GRZMAHPWJCAIFC-IAGOWNOFSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961180374 1085626866 /nfs/dbraw/zinc/62/68/66/1085626866.db2.gz GRZMAHPWJCAIFC-IAGOWNOFSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961180376 1085627058 /nfs/dbraw/zinc/62/70/58/1085627058.db2.gz GRZMAHPWJCAIFC-IRXDYDNUSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961180376 1085627061 /nfs/dbraw/zinc/62/70/61/1085627061.db2.gz GRZMAHPWJCAIFC-IRXDYDNUSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001080310898 1088807731 /nfs/dbraw/zinc/80/77/31/1088807731.db2.gz IPSGFCVQTDIBBS-IXDOHACOSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001080310898 1088807750 /nfs/dbraw/zinc/80/77/50/1088807750.db2.gz IPSGFCVQTDIBBS-IXDOHACOSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001080310897 1088808267 /nfs/dbraw/zinc/80/82/67/1088808267.db2.gz IPSGFCVQTDIBBS-BRWVUGGUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001080310897 1088808286 /nfs/dbraw/zinc/80/82/86/1088808286.db2.gz IPSGFCVQTDIBBS-BRWVUGGUSA-N 1 3 307.482 2.121 20 30 DEEDHO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001080755981 1089173915 /nfs/dbraw/zinc/17/39/15/1089173915.db2.gz DTIKMMDSOIXTKD-KURKYZTESA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001080755981 1089173924 /nfs/dbraw/zinc/17/39/24/1089173924.db2.gz DTIKMMDSOIXTKD-KURKYZTESA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001084339892 1090270523 /nfs/dbraw/zinc/27/05/23/1090270523.db2.gz MLELFLUIPHQONU-FGTMMUONSA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001084339892 1090270532 /nfs/dbraw/zinc/27/05/32/1090270532.db2.gz MLELFLUIPHQONU-FGTMMUONSA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001084752112 1090423705 /nfs/dbraw/zinc/42/37/05/1090423705.db2.gz UACSFQKAEAGZRT-QZTJIDSGSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H](N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC000948767716 1091925242 /nfs/dbraw/zinc/92/52/42/1091925242.db2.gz ZRNIZCODWHIATH-IRXDYDNUSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC000948767716 1091925250 /nfs/dbraw/zinc/92/52/50/1091925250.db2.gz ZRNIZCODWHIATH-IRXDYDNUSA-N 1 3 307.482 2.217 20 30 DEEDHO CC#CC[NH2+]C1CCC(N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC001275632575 1091927160 /nfs/dbraw/zinc/92/71/60/1091927160.db2.gz KIJOIIYUJPMUFE-UHFFFAOYSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CCC[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829403 1091960127 /nfs/dbraw/zinc/96/01/27/1091960127.db2.gz MMVPTXHADPJNEK-QZTJIDSGSA-N 1 3 319.493 2.197 20 30 DEEDHO C=CC[N@H+]1CCC[C@H](N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC000948868354 1091973295 /nfs/dbraw/zinc/97/32/95/1091973295.db2.gz HUNMZILYOQIMFP-KRWDZBQOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC000948868354 1091973303 /nfs/dbraw/zinc/97/33/03/1091973303.db2.gz HUNMZILYOQIMFP-KRWDZBQOSA-N 1 3 307.482 2.217 20 30 DEEDHO CCCCCCC[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001491752209 1140295787 /nfs/dbraw/zinc/29/57/87/1140295787.db2.gz VNWVGBKZNHOBEJ-SJORKVTESA-N 1 3 309.498 2.489 20 30 DEEDHO C=CCOC(=O)N1CCC[C@@]2(CCN([C@H]3CC[NH2+][C@H](C)C3)C2)C1 ZINC001246550204 1140954380 /nfs/dbraw/zinc/95/43/80/1140954380.db2.gz MGRMNWHIRBEMGG-RYRKJORJSA-N 1 3 321.465 2.237 20 30 DEEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)CC1(C)C ZINC001278639866 1142567488 /nfs/dbraw/zinc/56/74/88/1142567488.db2.gz MYTYNQWBVQXOLB-HZPDHXFCSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCC[C@H](O)C[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001252619345 1142790832 /nfs/dbraw/zinc/79/08/32/1142790832.db2.gz LTTUCWIIJOVZSS-SFHVURJKSA-N 1 3 303.450 2.210 20 30 DEEDHO C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC001342382227 1143814275 /nfs/dbraw/zinc/81/42/75/1143814275.db2.gz ZXRSUMVXITULFE-CVEARBPZSA-N 1 3 307.413 2.228 20 30 DEEDHO C=CCC[NH2+][C@H]1CCCCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001264682131 1144592018 /nfs/dbraw/zinc/59/20/18/1144592018.db2.gz QNWUVMIFKGNHTM-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCN1CCC(C(=O)NCCC[N@@H+](C)CCC(C)(C)C)CC1 ZINC001265073004 1144637734 /nfs/dbraw/zinc/63/77/34/1144637734.db2.gz LZOAECIQVFXLMJ-UHFFFAOYSA-N 1 3 321.509 2.206 20 30 DEEDHO C#CCN1CCC(C(=O)NCCC[N@H+](C)CCC(C)(C)C)CC1 ZINC001265073004 1144637738 /nfs/dbraw/zinc/63/77/38/1144637738.db2.gz LZOAECIQVFXLMJ-UHFFFAOYSA-N 1 3 321.509 2.206 20 30 DEEDHO C=CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001265087259 1144640510 /nfs/dbraw/zinc/64/05/10/1144640510.db2.gz XHBOSQBWXLZHBB-RDJZCZTQSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[NH2+]C1CCC(NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001265738628 1144736313 /nfs/dbraw/zinc/73/63/13/1144736313.db2.gz JNQSJVMXSIWOQK-UHFFFAOYSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001265982598 1144776738 /nfs/dbraw/zinc/77/67/38/1144776738.db2.gz IAHXRMHAILNFNI-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001280889898 1144861519 /nfs/dbraw/zinc/86/15/19/1144861519.db2.gz RWFGWCPCJFCRJD-MSOLQXFVSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[NH2+][C@H](CCN(C)C(=O)CN1CCC(C)CC1)C(C)C ZINC001282567161 1145088202 /nfs/dbraw/zinc/08/82/02/1145088202.db2.gz HDFWILJFQCODPN-GOSISDBHSA-N 1 3 321.509 2.204 20 30 DEEDHO CC#CCN[C@@H](C)CN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001283650224 1145561882 /nfs/dbraw/zinc/56/18/82/1145561882.db2.gz ULWWCAXIPLWDTG-INIZCTEOSA-N 1 3 307.482 2.101 20 30 DEEDHO CC#CCN[C@@H](C)CN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001283650224 1145561884 /nfs/dbraw/zinc/56/18/84/1145561884.db2.gz ULWWCAXIPLWDTG-INIZCTEOSA-N 1 3 307.482 2.101 20 30 DEEDHO C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001491950470 1147015231 /nfs/dbraw/zinc/01/52/31/1147015231.db2.gz AOHLYSYOOPMDRZ-IRXDYDNUSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001491950470 1147015237 /nfs/dbraw/zinc/01/52/37/1147015237.db2.gz AOHLYSYOOPMDRZ-IRXDYDNUSA-N 1 3 307.482 2.217 20 30 DEEDHO C#CCN1CCC[C@@H]([C@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317204305 1147676184 /nfs/dbraw/zinc/67/61/84/1147676184.db2.gz MGFLFQWUKNYBHP-ZWKOTPCHSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CC[N@H+]1CC[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001317788561 1147752463 /nfs/dbraw/zinc/75/24/63/1147752463.db2.gz JKCCWTRKQMRZAI-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001317788561 1147752465 /nfs/dbraw/zinc/75/24/65/1147752465.db2.gz JKCCWTRKQMRZAI-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001318223987 1147800665 /nfs/dbraw/zinc/80/06/65/1147800665.db2.gz MYQWYKBXACSSRX-ROUUACIJSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001326602618 1148159619 /nfs/dbraw/zinc/15/96/19/1148159619.db2.gz DICZPQRGXZXLJM-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC001353509226 1151835310 /nfs/dbraw/zinc/83/53/10/1151835310.db2.gz WTESBXVLMAXEGN-IRXDYDNUSA-N 1 3 303.450 2.398 20 30 DEEDHO CC[N@H+](CCCNC(=O)[C@@H](N)CCCC#N)C1CCCCC1 ZINC000593915187 358171747 /nfs/dbraw/zinc/17/17/47/358171747.db2.gz SCUPLYOFDXPFOA-INIZCTEOSA-N 1 3 308.470 2.168 20 30 DEEDHO CC[N@@H+](CCCNC(=O)[C@@H](N)CCCC#N)C1CCCCC1 ZINC000593915187 358171748 /nfs/dbraw/zinc/17/17/48/358171748.db2.gz SCUPLYOFDXPFOA-INIZCTEOSA-N 1 3 308.470 2.168 20 30 DEEDHO N#Cc1ccc(CCN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000595893101 358574079 /nfs/dbraw/zinc/57/40/79/358574079.db2.gz PFEIHUYLBVSICR-OALUTQOASA-N 1 3 313.445 2.319 20 30 DEEDHO C[NH+](C)CCOc1ccc(CCNCc2cccc(C#N)n2)cc1 ZINC000602537294 360422287 /nfs/dbraw/zinc/42/22/87/360422287.db2.gz CVWXKJWXRHTYLC-UHFFFAOYSA-N 1 3 324.428 2.226 20 30 DEEDHO COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000304811488 285339904 /nfs/dbraw/zinc/33/99/04/285339904.db2.gz XGBUKWKKURDHEK-KCQAQPDRSA-N 1 3 324.494 2.070 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000085360810 401914433 /nfs/dbraw/zinc/91/44/33/401914433.db2.gz IXGQBGAZDKCQMS-HNNXBMFYSA-N 1 3 324.513 2.302 20 30 DEEDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(C#N)c(F)c1 ZINC000271942564 402886165 /nfs/dbraw/zinc/88/61/65/402886165.db2.gz MGQXFOACONWTKZ-AWEZNQCLSA-N 1 3 318.440 2.374 20 30 DEEDHO CC[NH+](CC)CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279328615 402931240 /nfs/dbraw/zinc/93/12/40/402931240.db2.gz AODJZCDUPKNKHB-QGZVFWFLSA-N 1 3 312.417 2.089 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000280548636 403011844 /nfs/dbraw/zinc/01/18/44/403011844.db2.gz IXHKGBWEMVQJLA-DJIMGWMZSA-N 1 3 318.440 2.460 20 30 DEEDHO Cc1cc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)ccc1C#N ZINC000332348537 403557747 /nfs/dbraw/zinc/55/77/47/403557747.db2.gz ALRPQALHRJNFEZ-RBUKOAKNSA-N 1 3 313.445 2.334 20 30 DEEDHO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000343922862 403793276 /nfs/dbraw/zinc/79/32/76/403793276.db2.gz LEYJNNIKSRXOLY-LPHOPBHVSA-N 1 3 312.461 2.016 20 30 DEEDHO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000343922862 403793279 /nfs/dbraw/zinc/79/32/79/403793279.db2.gz LEYJNNIKSRXOLY-LPHOPBHVSA-N 1 3 312.461 2.016 20 30 DEEDHO C=CCN1CCC(NC(=O)N(CCC)CC[NH+]2CCCC2)CC1 ZINC000352907679 404689125 /nfs/dbraw/zinc/68/91/25/404689125.db2.gz FVDRCSTUYBVLEZ-UHFFFAOYSA-N 1 3 322.497 2.154 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000454471861 405350149 /nfs/dbraw/zinc/35/01/49/405350149.db2.gz ZVLBBRRTIVLSEL-UHFFFAOYSA-N 1 3 322.497 2.201 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000454471861 405350153 /nfs/dbraw/zinc/35/01/53/405350153.db2.gz ZVLBBRRTIVLSEL-UHFFFAOYSA-N 1 3 322.497 2.201 20 30 DEEDHO C=CC[C@H]1CC[C@H]([NH2+]CC(=O)NCCN2CCCCCC2)C1 ZINC000651816079 425148538 /nfs/dbraw/zinc/14/85/38/425148538.db2.gz ATTOKJMOIISCGZ-IRXDYDNUSA-N 1 3 307.482 2.313 20 30 DEEDHO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000661117517 425326789 /nfs/dbraw/zinc/32/67/89/425326789.db2.gz REUQHRYCHAHKTG-YJBOKZPZSA-N 1 3 319.493 2.454 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CCC[NH2+]CC1)C(C)C ZINC000653110662 425408222 /nfs/dbraw/zinc/40/82/22/425408222.db2.gz PZMRQDIWECJCIR-IRXDYDNUSA-N 1 3 307.482 2.191 20 30 DEEDHO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665764173 425642781 /nfs/dbraw/zinc/64/27/81/425642781.db2.gz XCCSXWAHRPZSAF-YESZJQIVSA-N 1 3 322.497 2.151 20 30 DEEDHO 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CC#CCN1CCC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052446862 693537347 /nfs/dbraw/zinc/53/73/47/693537347.db2.gz RURMDJNFXIUANZ-ROUUACIJSA-N 1 3 319.493 2.243 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001403271838 1162833204 /nfs/dbraw/zinc/83/32/04/1162833204.db2.gz WMXRZYFVWCYUAT-CABCVRRESA-N 1 3 313.873 2.051 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001403271841 1162833353 /nfs/dbraw/zinc/83/33/53/1162833353.db2.gz WMXRZYFVWCYUAT-GJZGRUSLSA-N 1 3 313.873 2.051 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001397591022 1160351548 /nfs/dbraw/zinc/35/15/48/1160351548.db2.gz GRXLFAKUWXWUFQ-QLFBSQMISA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001397591022 1160351555 /nfs/dbraw/zinc/35/15/55/1160351555.db2.gz GRXLFAKUWXWUFQ-QLFBSQMISA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CN[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC001401328546 1161931278 /nfs/dbraw/zinc/93/12/78/1161931278.db2.gz CHAZOEJCUHJKES-KBPBESRZSA-N 1 3 303.878 2.056 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106783067 782932484 /nfs/dbraw/zinc/93/24/84/782932484.db2.gz GFGHBGFLJAESMJ-BRWVUGGUSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCCCC1 ZINC001115571565 776547152 /nfs/dbraw/zinc/54/71/52/776547152.db2.gz FDXNWZCTNLTONK-UHFFFAOYSA-N 1 3 307.482 2.456 20 30 DEEDHO C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001167385385 776979605 /nfs/dbraw/zinc/97/96/05/776979605.db2.gz AQMWIVIUVNRJDK-MRXNPFEDSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCCC[NH2+]CC1(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001167901708 778767667 /nfs/dbraw/zinc/76/76/67/778767667.db2.gz WRMBFYLAYFHIHS-UHFFFAOYSA-N 1 3 304.438 2.103 20 30 DEEDHO N=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccc(F)cn1 ZINC001167965445 779112818 /nfs/dbraw/zinc/11/28/18/779112818.db2.gz GAOXWNOGIRXAHN-GOOCMWNKSA-N 1 3 302.397 2.331 20 30 DEEDHO N=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(F)cn1 ZINC001167965445 779112822 /nfs/dbraw/zinc/11/28/22/779112822.db2.gz GAOXWNOGIRXAHN-GOOCMWNKSA-N 1 3 302.397 2.331 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)[C@H]1CC ZINC001087671752 779406165 /nfs/dbraw/zinc/40/61/65/779406165.db2.gz OCYGMAAFQLGDCD-RCCFBDPRSA-N 1 3 319.493 2.406 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)[C@H]1CC ZINC001087671752 779406166 /nfs/dbraw/zinc/40/61/66/779406166.db2.gz OCYGMAAFQLGDCD-RCCFBDPRSA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001088617004 780623680 /nfs/dbraw/zinc/62/36/80/780623680.db2.gz UZUMWFLNDAPZRV-IKGGRYGDSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001088617004 780623685 /nfs/dbraw/zinc/62/36/85/780623685.db2.gz UZUMWFLNDAPZRV-IKGGRYGDSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001085668885 783943698 /nfs/dbraw/zinc/94/36/98/783943698.db2.gz MUIDLXTVPHUENJ-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001085695630 783972431 /nfs/dbraw/zinc/97/24/31/783972431.db2.gz ODAJXNJKUNSBAK-MRXNPFEDSA-N 1 3 305.466 2.114 20 30 DEEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986826 784283261 /nfs/dbraw/zinc/28/32/61/784283261.db2.gz NTLMKEBUWQXQNG-QGZVFWFLSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CCCN1CC[C@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986825 784284635 /nfs/dbraw/zinc/28/46/35/784284635.db2.gz NTLMKEBUWQXQNG-KRWDZBQOSA-N 1 3 315.461 2.471 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001007457368 784925730 /nfs/dbraw/zinc/92/57/30/784925730.db2.gz MGHPJWQBSCKWPM-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001007457368 784925732 /nfs/dbraw/zinc/92/57/32/784925732.db2.gz MGHPJWQBSCKWPM-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001007751413 784991288 /nfs/dbraw/zinc/99/12/88/784991288.db2.gz ZHGBGKNCLDFXOX-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001007751413 784991289 /nfs/dbraw/zinc/99/12/89/784991289.db2.gz ZHGBGKNCLDFXOX-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[C@@H](C)N1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001112979836 786341377 /nfs/dbraw/zinc/34/13/77/786341377.db2.gz IYYJSGASMNRKTA-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[C@@H](C)N1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001112979836 786341386 /nfs/dbraw/zinc/34/13/86/786341386.db2.gz IYYJSGASMNRKTA-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCN1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132493581 788104120 /nfs/dbraw/zinc/10/41/20/788104120.db2.gz MGPQCTGPYCHETR-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C ZINC001132888311 788219230 /nfs/dbraw/zinc/21/92/30/788219230.db2.gz MBXVWFVWZVYBMY-CVEARBPZSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C ZINC001133123049 788289025 /nfs/dbraw/zinc/28/90/25/788289025.db2.gz XYZUPKQGHLBJRA-HZPDHXFCSA-N 1 3 309.498 2.225 20 30 DEEDHO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001146582408 791316216 /nfs/dbraw/zinc/31/62/16/791316216.db2.gz HCMXWVOZFJWWMP-LSDHHAIUSA-N 1 3 303.450 2.421 20 30 DEEDHO C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001086849018 791567515 /nfs/dbraw/zinc/56/75/15/791567515.db2.gz RVBLYIOSSLOZBZ-KSZLIROESA-N 1 3 319.493 2.149 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015137 791922921 /nfs/dbraw/zinc/92/29/21/791922921.db2.gz KGMQZKWAVPEYCY-APWZRJJASA-N 1 3 319.493 2.075 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015137 791922923 /nfs/dbraw/zinc/92/29/23/791922923.db2.gz KGMQZKWAVPEYCY-APWZRJJASA-N 1 3 319.493 2.075 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C(C)C ZINC001099551697 792239267 /nfs/dbraw/zinc/23/92/67/792239267.db2.gz BPOBKWUYRODDBM-FJIDUMEYSA-N 1 3 319.493 2.072 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C(C)C ZINC001099551697 792239276 /nfs/dbraw/zinc/23/92/76/792239276.db2.gz BPOBKWUYRODDBM-FJIDUMEYSA-N 1 3 319.493 2.072 20 30 DEEDHO C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001094412893 792907415 /nfs/dbraw/zinc/90/74/15/792907415.db2.gz OXTWOGXSLDRFFT-YQVWRLOYSA-N 1 3 319.493 2.406 20 30 DEEDHO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001094412893 792907420 /nfs/dbraw/zinc/90/74/20/792907420.db2.gz OXTWOGXSLDRFFT-YQVWRLOYSA-N 1 3 319.493 2.406 20 30 DEEDHO C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001101522214 793205431 /nfs/dbraw/zinc/20/54/31/793205431.db2.gz QDIRHHQNPSHFPB-INIZCTEOSA-N 1 3 307.482 2.121 20 30 DEEDHO CC#CC[N@H+]1C[C@@H](CNC(=O)CN(C)CCCCCC)[C@H](C)C1 ZINC001102472157 793625883 /nfs/dbraw/zinc/62/58/83/793625883.db2.gz KXAUOSSXHXLGFB-QZTJIDSGSA-N 1 3 321.509 2.206 20 30 DEEDHO CC#CC[N@@H+]1C[C@@H](CNC(=O)CN(C)CCCCCC)[C@H](C)C1 ZINC001102472157 793625887 /nfs/dbraw/zinc/62/58/87/793625887.db2.gz KXAUOSSXHXLGFB-QZTJIDSGSA-N 1 3 321.509 2.206 20 30 DEEDHO C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001111868969 794506994 /nfs/dbraw/zinc/50/69/94/794506994.db2.gz SFHSIUBCBGEGPA-JZXOWHBKSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CC[NH2+]CCCCCCNC(=O)C(C)(C)N1CCCCC1 ZINC001178486635 794936820 /nfs/dbraw/zinc/93/68/20/794936820.db2.gz BLYDZKNIBAOQOL-UHFFFAOYSA-N 1 3 307.482 2.150 20 30 DEEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+]CC(=C)C)CC1 ZINC001180360927 795282091 /nfs/dbraw/zinc/28/20/91/795282091.db2.gz QERMIRLVAMDAIB-UHFFFAOYSA-N 1 3 319.493 2.174 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CN(CC)CC)C[C@@H]1C ZINC001185361471 796238423 /nfs/dbraw/zinc/23/84/23/796238423.db2.gz YYAZKHDUAWQDIG-IRXDYDNUSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001185379258 796244433 /nfs/dbraw/zinc/24/44/33/796244433.db2.gz AZWRKRQYFYSNQU-MSOLQXFVSA-N 1 3 321.509 2.369 20 30 DEEDHO C=CCCCCC[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001185650056 796298591 /nfs/dbraw/zinc/29/85/91/796298591.db2.gz BDFWQHGUCIYQLE-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001188125489 796629405 /nfs/dbraw/zinc/62/94/05/796629405.db2.gz MBTGOPUJROSUBD-MRXNPFEDSA-N 1 3 301.434 2.128 20 30 DEEDHO C=CCN(C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191542870 797219866 /nfs/dbraw/zinc/21/98/66/797219866.db2.gz JIKKRZLBXTYXRG-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193027220 797491986 /nfs/dbraw/zinc/49/19/86/797491986.db2.gz NUNYONWAUXKCSK-KRWDZBQOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193027220 797491988 /nfs/dbraw/zinc/49/19/88/797491988.db2.gz NUNYONWAUXKCSK-KRWDZBQOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246901 797699688 /nfs/dbraw/zinc/69/96/88/797699688.db2.gz SSGGJEPXIZWYQT-QGZVFWFLSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246901 797699692 /nfs/dbraw/zinc/69/96/92/797699692.db2.gz SSGGJEPXIZWYQT-QGZVFWFLSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001197049938 798138310 /nfs/dbraw/zinc/13/83/10/798138310.db2.gz ZTOPACNRJFZUAT-DLBZAZTESA-N 1 3 309.498 2.462 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001197049938 798138312 /nfs/dbraw/zinc/13/83/12/798138312.db2.gz ZTOPACNRJFZUAT-DLBZAZTESA-N 1 3 309.498 2.462 20 30 DEEDHO [NH3+]C1CCN(c2cccc(NCC#Cc3ccccc3)n2)CC1 ZINC001159375656 798558503 /nfs/dbraw/zinc/55/85/03/798558503.db2.gz FNCVHBKSWDERJD-UHFFFAOYSA-N 1 3 306.413 2.473 20 30 DEEDHO C=CCN1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001160132006 798652417 /nfs/dbraw/zinc/65/24/17/798652417.db2.gz ZPIDZBLBSMCROC-QZTJIDSGSA-N 1 3 317.477 2.185 20 30 DEEDHO C=CCN1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001160132006 798652419 /nfs/dbraw/zinc/65/24/19/798652419.db2.gz ZPIDZBLBSMCROC-QZTJIDSGSA-N 1 3 317.477 2.185 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203524054 800069124 /nfs/dbraw/zinc/06/91/24/800069124.db2.gz SXQAHYJFKVOJPU-HOTGVXAUSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](F)CN(CC)CC ZINC001234644366 802439734 /nfs/dbraw/zinc/43/97/34/802439734.db2.gz TXYDXQDAODNQQZ-JKSUJKDBSA-N 1 3 313.461 2.165 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](F)CN(CC)CC ZINC001234644366 802439743 /nfs/dbraw/zinc/43/97/43/802439743.db2.gz TXYDXQDAODNQQZ-JKSUJKDBSA-N 1 3 313.461 2.165 20 30 DEEDHO CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC001330935376 1149339228 /nfs/dbraw/zinc/33/92/28/1149339228.db2.gz NYERJSDDCWSHFY-INIZCTEOSA-N 1 3 320.481 2.265 20 30 DEEDHO C=CCN(C)C[C@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001328796422 1148836625 /nfs/dbraw/zinc/83/66/25/1148836625.db2.gz HJCBRJHDJGTSRV-QGZVFWFLSA-N 1 3 307.482 2.361 20 30 DEEDHO C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCCN1C(C)C)C1CCCC1 ZINC001500088057 1058483584 /nfs/dbraw/zinc/48/35/84/1058483584.db2.gz IPLQPURUOKYUDC-DLBZAZTESA-N 1 3 307.482 2.310 20 30 DEEDHO C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)N(CC)CC ZINC001501399192 1059487882 /nfs/dbraw/zinc/48/78/82/1059487882.db2.gz CMWUYMISPXBJMP-OKZBNKHCSA-N 1 3 319.493 2.195 20 30 DEEDHO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)N(CC)CC ZINC001501399192 1059487887 /nfs/dbraw/zinc/48/78/87/1059487887.db2.gz CMWUYMISPXBJMP-OKZBNKHCSA-N 1 3 319.493 2.195 20 30 DEEDHO C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001479385934 1061432464 /nfs/dbraw/zinc/43/24/64/1061432464.db2.gz QKDHTGQBHCAITH-WKILWMFISA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCCC[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001506962587 1062603920 /nfs/dbraw/zinc/60/39/20/1062603920.db2.gz RZZFAXJMTWLAQD-KRWDZBQOSA-N 1 3 309.498 2.462 20 30 DEEDHO C=CCCC[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001506962587 1062603934 /nfs/dbraw/zinc/60/39/34/1062603934.db2.gz RZZFAXJMTWLAQD-KRWDZBQOSA-N 1 3 309.498 2.462 20 30 DEEDHO C=CCCC[NH2+]C1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001480408374 1062819250 /nfs/dbraw/zinc/81/92/50/1062819250.db2.gz RGYSFKYGVHQCRM-GTPINHCMSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)CN(CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001493405200 1063777336 /nfs/dbraw/zinc/77/73/36/1063777336.db2.gz VLWPJARELMPWJT-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CN(CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001493405200 1063777353 /nfs/dbraw/zinc/77/73/53/1063777353.db2.gz VLWPJARELMPWJT-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001567976717 1064573688 /nfs/dbraw/zinc/57/36/88/1064573688.db2.gz IWGJDOKSJWYQGK-YOEHRIQHSA-N 1 3 313.461 2.259 20 30 DEEDHO CC#CC[NH2+]C[C@H](NC(=O)CN1CC[C@H](C)C1)C1CCCCC1 ZINC001568346782 1064794081 /nfs/dbraw/zinc/79/40/81/1064794081.db2.gz NXQAVAQNXAUXCB-WMZOPIPTSA-N 1 3 319.493 2.006 20 30 DEEDHO C=C(Cl)CNCC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001568391742 1064831474 /nfs/dbraw/zinc/83/14/74/1064831474.db2.gz AVJCVMMOTKZJIK-CQSZACIVSA-N 1 3 301.862 2.051 20 30 DEEDHO C=CCCC[N@@H+](C)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001568439040 1064873567 /nfs/dbraw/zinc/87/35/67/1064873567.db2.gz DHVAKYGGPCKNAB-UHFFFAOYSA-N 1 3 318.465 2.479 20 30 DEEDHO C=CCCC[N@H+](C)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001568439040 1064873570 /nfs/dbraw/zinc/87/35/70/1064873570.db2.gz DHVAKYGGPCKNAB-UHFFFAOYSA-N 1 3 318.465 2.479 20 30 DEEDHO C=CCCCCCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001569359568 1065454469 /nfs/dbraw/zinc/45/44/69/1065454469.db2.gz IIMMCTUWZVLTFV-BRWVUGGUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCCCCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001569359568 1065454473 /nfs/dbraw/zinc/45/44/73/1065454473.db2.gz IIMMCTUWZVLTFV-BRWVUGGUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001569828216 1065749349 /nfs/dbraw/zinc/74/93/49/1065749349.db2.gz HRCQMUSMGLBGDN-MAUKXSAKSA-N 1 3 315.461 2.374 20 30 DEEDHO CC1CC[NH+](C2CCC(NC(=O)[C@H](N)CCCC#N)CC2)CC1 ZINC001576728968 1066673047 /nfs/dbraw/zinc/67/30/47/1066673047.db2.gz AOYDTSRGRPUKLL-OFLPRAFFSA-N 1 3 320.481 2.167 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001498658763 1066825510 /nfs/dbraw/zinc/82/55/10/1066825510.db2.gz QXIDIUVTPGMARM-OAHLLOKOSA-N 1 3 315.889 2.297 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001267070175 1078545472 /nfs/dbraw/zinc/54/54/72/1078545472.db2.gz JOGYYNNYTMKKPF-QGZVFWFLSA-N 1 3 315.461 2.376 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCCN1CC ZINC001267181744 1078645834 /nfs/dbraw/zinc/64/58/34/1078645834.db2.gz NBHXLRBAWRGYAT-ROUUACIJSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCCN1CC ZINC001267181744 1078645839 /nfs/dbraw/zinc/64/58/39/1078645839.db2.gz NBHXLRBAWRGYAT-ROUUACIJSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CCN1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001570823091 1068128687 /nfs/dbraw/zinc/12/86/87/1068128687.db2.gz QSQOARXIYKJMAH-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001267293142 1078738883 /nfs/dbraw/zinc/73/88/83/1078738883.db2.gz MNMHDLRKPWFTAK-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001267293142 1078738888 /nfs/dbraw/zinc/73/88/88/1078738888.db2.gz MNMHDLRKPWFTAK-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC001542359339 1072457549 /nfs/dbraw/zinc/45/75/49/1072457549.db2.gz DXMQGVFHVNBZLO-UHFFFAOYSA-N 1 3 315.461 2.057 20 30 DEEDHO C#CCN(C(=O)[C@H](CC)N(C)C)C1CC[NH+](CCCC=C)CC1 ZINC001483987638 1079227276 /nfs/dbraw/zinc/22/72/76/1079227276.db2.gz YBBNAWUIPMTFFF-SFHVURJKSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001646806187 1074627554 /nfs/dbraw/zinc/62/75/54/1074627554.db2.gz MKFNRVMASYEIET-DZGCQCFKSA-N 1 3 313.873 2.085 20 30 DEEDHO C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001267689720 1079375941 /nfs/dbraw/zinc/37/59/41/1079375941.db2.gz HHKOYZASXZTILJ-HUUCEWRRSA-N 1 3 304.438 2.087 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001267689720 1079375943 /nfs/dbraw/zinc/37/59/43/1079375943.db2.gz HHKOYZASXZTILJ-HUUCEWRRSA-N 1 3 304.438 2.087 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001566947931 1075396151 /nfs/dbraw/zinc/39/61/51/1075396151.db2.gz NBJPYYYIEDBDFT-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCN1CCC(C(=O)NC2CCC([NH2+]CCCC)CC2)CC1 ZINC001566991668 1075410618 /nfs/dbraw/zinc/41/06/18/1075410618.db2.gz GAZPIUKTZIYJQL-UHFFFAOYSA-N 1 3 319.493 2.149 20 30 DEEDHO C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001484772232 1079787667 /nfs/dbraw/zinc/78/76/67/1079787667.db2.gz ORIKTOSKFUTHHR-MSOLQXFVSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001484772232 1079787671 /nfs/dbraw/zinc/78/76/71/1079787671.db2.gz ORIKTOSKFUTHHR-MSOLQXFVSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCCC[N@@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001481518702 1079988646 /nfs/dbraw/zinc/98/86/46/1079988646.db2.gz DVJICWKHTITLGD-UHFFFAOYSA-N 1 3 304.438 2.089 20 30 DEEDHO C=CCCC[N@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001481518702 1079988651 /nfs/dbraw/zinc/98/86/51/1079988651.db2.gz DVJICWKHTITLGD-UHFFFAOYSA-N 1 3 304.438 2.089 20 30 DEEDHO C=C(Cl)CNCC1(NC(=O)CCC[NH+](C)C)CCCCC1 ZINC001485455401 1080217353 /nfs/dbraw/zinc/21/73/53/1080217353.db2.gz VKYQAWDXRWLKQI-UHFFFAOYSA-N 1 3 315.889 2.489 20 30 DEEDHO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(C)C(C)C)C1 ZINC001099551700 1080517912 /nfs/dbraw/zinc/51/79/12/1080517912.db2.gz BPOBKWUYRODDBM-XSLAGTTESA-N 1 3 319.493 2.072 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(C)C(C)C)C1 ZINC001099551700 1080517917 /nfs/dbraw/zinc/51/79/17/1080517917.db2.gz BPOBKWUYRODDBM-XSLAGTTESA-N 1 3 319.493 2.072 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001663548655 1080771765 /nfs/dbraw/zinc/77/17/65/1080771765.db2.gz UYESRBSPXGVNSO-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001663548655 1080771772 /nfs/dbraw/zinc/77/17/72/1080771772.db2.gz UYESRBSPXGVNSO-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[NH2+]Cc1ccc(CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001666333646 1081144598 /nfs/dbraw/zinc/14/45/98/1081144598.db2.gz ZUJCWSWMSFFICB-UHFFFAOYSA-N 1 3 315.461 2.453 20 30 DEEDHO C#CCNC[C@H](NC(=O)CC[NH+](C)C)c1ccc2ccccc2c1 ZINC001270369182 1081511270 /nfs/dbraw/zinc/51/12/70/1081511270.db2.gz MPOLSMTYOGYNLS-IBGZPJMESA-N 1 3 323.440 2.172 20 30 DEEDHO C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1[C@@H](C)CC[C@@H]1C)C2 ZINC001672355990 1081587588 /nfs/dbraw/zinc/58/75/88/1081587588.db2.gz MTXLXGBSPRFDCD-TXTZMMAHSA-N 1 3 319.493 2.404 20 30 DEEDHO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1[C@@H](C)CC[C@@H]1C)C2 ZINC001672355990 1081587594 /nfs/dbraw/zinc/58/75/94/1081587594.db2.gz MTXLXGBSPRFDCD-TXTZMMAHSA-N 1 3 319.493 2.404 20 30 DEEDHO C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001674463456 1081874633 /nfs/dbraw/zinc/87/46/33/1081874633.db2.gz MPQJUXXMIAMHPH-INIZCTEOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001674463456 1081874637 /nfs/dbraw/zinc/87/46/37/1081874637.db2.gz MPQJUXXMIAMHPH-INIZCTEOSA-N 1 3 307.482 2.360 20 30 DEEDHO CC#CCN1CCC[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001271017718 1081877629 /nfs/dbraw/zinc/87/76/29/1081877629.db2.gz VJWHQGUHEXZPEA-IBGZPJMESA-N 1 3 319.493 2.104 20 30 DEEDHO C#CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001271665158 1082104535 /nfs/dbraw/zinc/10/45/35/1082104535.db2.gz IQFFRMJBOUSVNS-IAGOWNOFSA-N 1 3 321.509 2.204 20 30 DEEDHO C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001271777090 1082151786 /nfs/dbraw/zinc/15/17/86/1082151786.db2.gz FEHQORFPFAVRCP-ULQDDVLXSA-N 1 3 307.482 2.026 20 30 DEEDHO C=CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N(C)CC)CCC[C@@H]12 ZINC001107457204 1083410559 /nfs/dbraw/zinc/41/05/59/1083410559.db2.gz JNAQMHYOMIVTHS-CRAIPNDOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N(C)CC)CCC[C@@H]12 ZINC001107457204 1083410564 /nfs/dbraw/zinc/41/05/64/1083410564.db2.gz JNAQMHYOMIVTHS-CRAIPNDOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC001276672475 1083543238 /nfs/dbraw/zinc/54/32/38/1083543238.db2.gz IQRSQZDQSOLJIJ-DOTOQJQBSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCCC[NH+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001272804584 1084085598 /nfs/dbraw/zinc/08/55/98/1084085598.db2.gz CXNQDFKUOONSRJ-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO N#CCCC[N@@H+]1CCC[C@@]2(CCCN(CCn3ccnc3)C2)C1 ZINC001277945383 1084429807 /nfs/dbraw/zinc/42/98/07/1084429807.db2.gz YSTGZBWXLBYWAL-GOSISDBHSA-N 1 3 315.465 2.365 20 30 DEEDHO N#CCCC[N@H+]1CCC[C@@]2(CCCN(CCn3ccnc3)C2)C1 ZINC001277945383 1084429808 /nfs/dbraw/zinc/42/98/08/1084429808.db2.gz YSTGZBWXLBYWAL-GOSISDBHSA-N 1 3 315.465 2.365 20 30 DEEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)CN(C)CCC)C2)CC1 ZINC001671060223 1086364469 /nfs/dbraw/zinc/36/44/69/1086364469.db2.gz ZBDHIFFDAAIOGU-UHFFFAOYSA-N 1 3 307.482 2.219 20 30 DEEDHO C=C(C)C[NH2+]C1CCC(N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000963902539 1086591486 /nfs/dbraw/zinc/59/14/86/1086591486.db2.gz LHZNYWAQSWFQSH-KLAILNCOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001080037028 1088590057 /nfs/dbraw/zinc/59/00/57/1088590057.db2.gz CVIYZGFWNVZGTO-HZPDHXFCSA-N 1 3 305.466 2.018 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001080037028 1088590078 /nfs/dbraw/zinc/59/00/78/1088590078.db2.gz CVIYZGFWNVZGTO-HZPDHXFCSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3CCC)C[C@@H]21 ZINC001084953309 1090541986 /nfs/dbraw/zinc/54/19/86/1090541986.db2.gz BOTQFALCIXERGV-KURKYZTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3CCC)C[C@@H]21 ZINC001084953309 1090541991 /nfs/dbraw/zinc/54/19/91/1090541991.db2.gz BOTQFALCIXERGV-KURKYZTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001274398423 1091223675 /nfs/dbraw/zinc/22/36/75/1091223675.db2.gz NQAOGAWAEDCNDT-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN(CCN1CCC2(CC[N@H+](C)C2)CC1)C(=O)OCC ZINC001274927399 1091476848 /nfs/dbraw/zinc/47/68/48/1091476848.db2.gz LZVWRCCYWPYQEX-UHFFFAOYSA-N 1 3 309.454 2.049 20 30 DEEDHO C=CCN(CCN1CCC2(CC[N@@H+](C)C2)CC1)C(=O)OCC ZINC001274927399 1091476853 /nfs/dbraw/zinc/47/68/53/1091476853.db2.gz LZVWRCCYWPYQEX-UHFFFAOYSA-N 1 3 309.454 2.049 20 30 DEEDHO C=C(C)CC[NH2+]CC1CC(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001275233087 1091626710 /nfs/dbraw/zinc/62/67/10/1091626710.db2.gz NQPHCLFHSTUOSI-OFLPRAFFSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H](N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000948767717 1091924844 /nfs/dbraw/zinc/92/48/44/1091924844.db2.gz ZRNIZCODWHIATH-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000948767717 1091924853 /nfs/dbraw/zinc/92/48/53/1091924853.db2.gz ZRNIZCODWHIATH-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@H](C)[N@@H+](C)[C@H](C)CCC=C)CC1 ZINC001276011055 1092505846 /nfs/dbraw/zinc/50/58/46/1092505846.db2.gz KZYHYBVHJFXQDG-SJORKVTESA-N 1 3 319.493 2.123 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@H](C)[N@H+](C)[C@H](C)CCC=C)CC1 ZINC001276011055 1092505861 /nfs/dbraw/zinc/50/58/61/1092505861.db2.gz KZYHYBVHJFXQDG-SJORKVTESA-N 1 3 319.493 2.123 20 30 DEEDHO C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001488771987 1092742793 /nfs/dbraw/zinc/74/27/93/1092742793.db2.gz JNLSEEUTQJXTER-VVLHAWIVSA-N 1 3 307.482 2.167 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001296066294 1139701821 /nfs/dbraw/zinc/70/18/21/1139701821.db2.gz WVIXQDBPWJKCRJ-GOSISDBHSA-N 1 3 315.461 2.227 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001281974663 1139834524 /nfs/dbraw/zinc/83/45/24/1139834524.db2.gz GKJPHYYOIJTEOG-QZTJIDSGSA-N 1 3 321.509 2.465 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001281974663 1139834528 /nfs/dbraw/zinc/83/45/28/1139834528.db2.gz GKJPHYYOIJTEOG-QZTJIDSGSA-N 1 3 321.509 2.465 20 30 DEEDHO C#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001319890675 1140800842 /nfs/dbraw/zinc/80/08/42/1140800842.db2.gz PLYQTIIXQVZVMI-SFHVURJKSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001319890675 1140800844 /nfs/dbraw/zinc/80/08/44/1140800844.db2.gz PLYQTIIXQVZVMI-SFHVURJKSA-N 1 3 319.493 2.055 20 30 DEEDHO N#C[C@@H]1C[C@@H](N[C@@H](c2ccccc2F)C2CC[NH2+]CC2)CCN1 ZINC001246402403 1140893969 /nfs/dbraw/zinc/89/39/69/1140893969.db2.gz YDVYSEJEJMWQOQ-RLFYNMQTSA-N 1 3 316.424 2.100 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CCC=C)C(C)(C)C)CC1 ZINC001279033831 1143949194 /nfs/dbraw/zinc/94/91/94/1143949194.db2.gz FYKQWAQUNAQJAA-QGZVFWFLSA-N 1 3 319.493 2.028 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001265306045 1144689424 /nfs/dbraw/zinc/68/94/24/1144689424.db2.gz ISTGIHVYJHMEHE-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001265306045 1144689427 /nfs/dbraw/zinc/68/94/27/1144689427.db2.gz ISTGIHVYJHMEHE-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001265982599 1144776434 /nfs/dbraw/zinc/77/64/34/1144776434.db2.gz IAHXRMHAILNFNI-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001266041450 1144798509 /nfs/dbraw/zinc/79/85/09/1144798509.db2.gz VRJWKCCBHFBDSN-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001280889900 1144861578 /nfs/dbraw/zinc/86/15/78/1144861578.db2.gz RWFGWCPCJFCRJD-ROUUACIJSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CCN1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001281565899 1144897788 /nfs/dbraw/zinc/89/77/88/1144897788.db2.gz AMOQFOCHBWMIMA-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](F)CN(CC)CC ZINC001282667259 1145119697 /nfs/dbraw/zinc/11/96/97/1145119697.db2.gz PHOOMLPDRXMQJM-JKSUJKDBSA-N 1 3 313.461 2.213 20 30 DEEDHO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](F)CN(CC)CC ZINC001282667259 1145119700 /nfs/dbraw/zinc/11/97/00/1145119700.db2.gz PHOOMLPDRXMQJM-JKSUJKDBSA-N 1 3 313.461 2.213 20 30 DEEDHO C=CCN1CCC(NC(=O)N2CCC(C(C)(C)C[NH3+])CC2)CC1 ZINC001353325104 1151824004 /nfs/dbraw/zinc/82/40/04/1151824004.db2.gz AJBUAULZISLTPE-UHFFFAOYSA-N 1 3 322.497 2.043 20 30 DEEDHO CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001284001293 1145744655 /nfs/dbraw/zinc/74/46/55/1145744655.db2.gz PVGVKKZSQGVFCM-IAGOWNOFSA-N 1 3 319.493 2.243 20 30 DEEDHO CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001284001293 1145744663 /nfs/dbraw/zinc/74/46/63/1145744663.db2.gz PVGVKKZSQGVFCM-IAGOWNOFSA-N 1 3 319.493 2.243 20 30 DEEDHO C=CCC[NH+]1CCC(C2(NC(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC001284846344 1145936916 /nfs/dbraw/zinc/93/69/16/1145936916.db2.gz OMROPDQFBFSXPD-MRXNPFEDSA-N 1 3 319.493 2.265 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCCCC)CC1 ZINC001317513195 1147542469 /nfs/dbraw/zinc/54/24/69/1147542469.db2.gz ILNYGVDLYZNVAZ-SFHVURJKSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCCCC)CC1 ZINC001317513195 1147542473 /nfs/dbraw/zinc/54/24/73/1147542473.db2.gz ILNYGVDLYZNVAZ-SFHVURJKSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(C)CN[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1 ZINC001317722489 1147747451 /nfs/dbraw/zinc/74/74/51/1147747451.db2.gz UYYLLPFQDIZXNA-KRWDZBQOSA-N 1 3 315.461 2.351 20 30 DEEDHO C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001326522158 1148128090 /nfs/dbraw/zinc/12/80/90/1148128090.db2.gz UUXVPLFKTPJDRM-BZSNNMDCSA-N 1 3 319.493 2.149 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)[C@H](C)C1 ZINC001368101043 1148221826 /nfs/dbraw/zinc/22/18/26/1148221826.db2.gz DVXFVDOUPODUPZ-ZIAGYGMSSA-N 1 3 301.862 2.050 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](C[NH3+])C1)C(C)C ZINC000581240298 357154046 /nfs/dbraw/zinc/15/40/46/357154046.db2.gz KWJMUAPIBXBCCY-IAGOWNOFSA-N 1 3 322.497 2.065 20 30 DEEDHO C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000662083683 540327037 /nfs/dbraw/zinc/32/70/37/540327037.db2.gz IRZHYUUXMMSENK-CALCHBBNSA-N 1 3 305.466 2.158 20 30 DEEDHO C[C@H](CCC#N)CN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000602451874 360379876 /nfs/dbraw/zinc/37/98/76/360379876.db2.gz BJBTUJWCEMIXDX-SQNIBIBYSA-N 1 3 306.498 2.417 20 30 DEEDHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424143873 296313556 /nfs/dbraw/zinc/31/35/56/296313556.db2.gz GSQCUWJCJNYSAU-BRWVUGGUSA-N 1 3 320.481 2.121 20 30 DEEDHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424143873 296313557 /nfs/dbraw/zinc/31/35/57/296313557.db2.gz GSQCUWJCJNYSAU-BRWVUGGUSA-N 1 3 320.481 2.121 20 30 DEEDHO COC[C@H](C)NC(=[NH2+])NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000304811486 285340079 /nfs/dbraw/zinc/34/00/79/285340079.db2.gz XGBUKWKKURDHEK-GUTXKFCHSA-N 1 3 324.494 2.070 20 30 DEEDHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(OC)c(C#N)c1 ZINC000150979512 402008886 /nfs/dbraw/zinc/00/88/86/402008886.db2.gz MVYATEZPXOHECA-INIZCTEOSA-N 1 3 305.422 2.013 20 30 DEEDHO N#C[C@H]1CC[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000414305932 404570632 /nfs/dbraw/zinc/57/06/32/404570632.db2.gz NUVCVERDCLLQBM-ZWKOTPCHSA-N 1 3 313.445 2.295 20 30 DEEDHO C=CC[N@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414690586 404709597 /nfs/dbraw/zinc/70/95/97/404709597.db2.gz HTYBDFTZQDRQLN-QGZVFWFLSA-N 1 3 307.482 2.252 20 30 DEEDHO C=CC[N@@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414690586 404709601 /nfs/dbraw/zinc/70/96/01/404709601.db2.gz HTYBDFTZQDRQLN-QGZVFWFLSA-N 1 3 307.482 2.252 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000358797779 404776241 /nfs/dbraw/zinc/77/62/41/404776241.db2.gz XTXQLUZFVYDXRN-HZPDHXFCSA-N 1 3 322.497 2.199 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000358797779 404776243 /nfs/dbraw/zinc/77/62/43/404776243.db2.gz XTXQLUZFVYDXRN-HZPDHXFCSA-N 1 3 322.497 2.199 20 30 DEEDHO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424138775 405019469 /nfs/dbraw/zinc/01/94/69/405019469.db2.gz UVSBMTOLXZMFNK-INIZCTEOSA-N 1 3 302.422 2.488 20 30 DEEDHO C[C@H](CCNC(=O)[C@@H](N)CCCC#N)[N@H+](C)Cc1ccccc1 ZINC000424155992 405025049 /nfs/dbraw/zinc/02/50/49/405025049.db2.gz OMLRALODKHCEAC-WBVHZDCISA-N 1 3 316.449 2.034 20 30 DEEDHO C[C@H](CCNC(=O)[C@@H](N)CCCC#N)[N@@H+](C)Cc1ccccc1 ZINC000424155992 405025054 /nfs/dbraw/zinc/02/50/54/405025054.db2.gz OMLRALODKHCEAC-WBVHZDCISA-N 1 3 316.449 2.034 20 30 DEEDHO CN(C)C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(Cl)cc1 ZINC000424171053 405028426 /nfs/dbraw/zinc/02/84/26/405028426.db2.gz IRQVPSDHTXWELW-LSDHHAIUSA-N 1 3 322.840 2.080 20 30 DEEDHO C=CC(C)(C)CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000458989000 405679737 /nfs/dbraw/zinc/67/97/37/405679737.db2.gz OTJVMBQIJGIKSD-MRXNPFEDSA-N 1 3 324.513 2.256 20 30 DEEDHO C=CC(C)(C)CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000458989000 405679742 /nfs/dbraw/zinc/67/97/42/405679742.db2.gz OTJVMBQIJGIKSD-MRXNPFEDSA-N 1 3 324.513 2.256 20 30 DEEDHO C=C(C)COCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422987868 405693372 /nfs/dbraw/zinc/69/33/72/405693372.db2.gz HOLXUKSFERQLEJ-WMZOPIPTSA-N 1 3 302.418 2.425 20 30 DEEDHO C=C(CC)CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000459085704 405737252 /nfs/dbraw/zinc/73/72/52/405737252.db2.gz VROFSGPBNSWSQV-INIZCTEOSA-N 1 3 310.486 2.010 20 30 DEEDHO C=C(CC)CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000459085704 405737256 /nfs/dbraw/zinc/73/72/56/405737256.db2.gz VROFSGPBNSWSQV-INIZCTEOSA-N 1 3 310.486 2.010 20 30 DEEDHO CC[N@@H+]1CCC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000471949759 406130956 /nfs/dbraw/zinc/13/09/56/406130956.db2.gz YHPNUTVRLAQLRK-ZWKOTPCHSA-N 1 3 324.428 2.089 20 30 DEEDHO CC[N@H+]1CCC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000471949759 406130960 /nfs/dbraw/zinc/13/09/60/406130960.db2.gz YHPNUTVRLAQLRK-ZWKOTPCHSA-N 1 3 324.428 2.089 20 30 DEEDHO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C1 ZINC000571624050 406544403 /nfs/dbraw/zinc/54/44/03/406544403.db2.gz HUQJAXXXKZYOSX-CRAIPNDOSA-N 1 3 313.445 2.425 20 30 DEEDHO C#C[C@H](CCC)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000491694250 406671728 /nfs/dbraw/zinc/67/17/28/406671728.db2.gz ANXACCDTZNTFFZ-QGZVFWFLSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)[C@H]1C ZINC001088897656 782028180 /nfs/dbraw/zinc/02/81/80/782028180.db2.gz RRUPPSZPBAORIB-ZACQAIPSSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)[C@H]1C ZINC001088897656 782028190 /nfs/dbraw/zinc/02/81/90/782028190.db2.gz RRUPPSZPBAORIB-ZACQAIPSSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[C@]1(C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)CCC[NH2+]1 ZINC000662695975 425715702 /nfs/dbraw/zinc/71/57/02/425715702.db2.gz RSJINNMWRNHOKJ-UIBIWLFHSA-N 1 3 307.482 2.167 20 30 DEEDHO C=CC[C@H](CO)CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423018529 275748983 /nfs/dbraw/zinc/74/89/83/275748983.db2.gz RJPQACGURVOKOV-YXJHDRRASA-N 1 3 302.418 2.017 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]C1)C(C)C ZINC000236665481 337464199 /nfs/dbraw/zinc/46/41/99/337464199.db2.gz ZJCWNDAESHKONM-WMZOPIPTSA-N 1 3 307.482 2.191 20 30 DEEDHO COc1ccc(NC(=[NH2+])NCC(C)(C)CN(C)C)cc1OC ZINC000264109138 533986593 /nfs/dbraw/zinc/98/65/93/533986593.db2.gz OHYAILMTVPSZPF-UHFFFAOYSA-N 1 3 308.426 2.018 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000417541417 526592131 /nfs/dbraw/zinc/59/21/31/526592131.db2.gz REEGLPRXCFIAEV-WKILWMFISA-N 1 3 322.497 2.091 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC2(CCCCC2)O1 ZINC000262357570 529100248 /nfs/dbraw/zinc/10/02/48/529100248.db2.gz JPIINMWTCYUMGQ-JKSUJKDBSA-N 1 3 322.497 2.257 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc2ncccc2c1 ZINC000195293133 529101575 /nfs/dbraw/zinc/10/15/75/529101575.db2.gz DGKPJTKECZSSQZ-INIZCTEOSA-N 1 3 311.433 2.123 20 30 DEEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc(C#N)c1 ZINC000349038475 535594042 /nfs/dbraw/zinc/59/40/42/535594042.db2.gz SFKGZIZCGYKBBB-IBGZPJMESA-N 1 3 314.477 2.406 20 30 DEEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc(C#N)c1 ZINC000349038475 535594046 /nfs/dbraw/zinc/59/40/46/535594046.db2.gz SFKGZIZCGYKBBB-IBGZPJMESA-N 1 3 314.477 2.406 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001023633503 625362994 /nfs/dbraw/zinc/36/29/94/625362994.db2.gz ZGUYFFNOOHWBTK-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001023633503 625362997 /nfs/dbraw/zinc/36/29/97/625362997.db2.gz ZGUYFFNOOHWBTK-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001023763727 625427905 /nfs/dbraw/zinc/42/79/05/625427905.db2.gz ZPHONCYLXIFPSW-INIZCTEOSA-N 1 3 315.461 2.376 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001023763727 625427909 /nfs/dbraw/zinc/42/79/09/625427909.db2.gz ZPHONCYLXIFPSW-INIZCTEOSA-N 1 3 315.461 2.376 20 30 DEEDHO N#Cc1ccc(CN2CCCN(c3cc[nH+]cc3CO)CC2)cc1 ZINC000891620463 624497898 /nfs/dbraw/zinc/49/78/98/624497898.db2.gz ALPWLMMIYZHCEE-UHFFFAOYSA-N 1 3 322.412 2.158 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001022975401 625122644 /nfs/dbraw/zinc/12/26/44/625122644.db2.gz KWBCOUCJIPSCFL-APIJFGDWSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)CC1(C)C ZINC000995791508 633122932 /nfs/dbraw/zinc/12/29/32/633122932.db2.gz HXKQNYHWPRFBRR-HZPDHXFCSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCN1C[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974679106 633231877 /nfs/dbraw/zinc/23/18/77/633231877.db2.gz GMGZTNQAZILJIH-CVEARBPZSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCN1C[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974679106 633231894 /nfs/dbraw/zinc/23/18/94/633231894.db2.gz GMGZTNQAZILJIH-CVEARBPZSA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC000997362833 633715647 /nfs/dbraw/zinc/71/56/47/633715647.db2.gz CQCMHBPZFIJCHY-OAHLLOKOSA-N 1 3 313.873 2.194 20 30 DEEDHO C#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000998018593 634114904 /nfs/dbraw/zinc/11/49/04/634114904.db2.gz VUJAZCLTFMSLDC-QZTJIDSGSA-N 1 3 319.493 2.195 20 30 DEEDHO C#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000998018593 634114910 /nfs/dbraw/zinc/11/49/10/634114910.db2.gz VUJAZCLTFMSLDC-QZTJIDSGSA-N 1 3 319.493 2.195 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3nc[nH]c3C)C[C@H]2C1 ZINC000980228551 634906876 /nfs/dbraw/zinc/90/68/76/634906876.db2.gz GPFQZVOCFNUZJJ-HRCADAONSA-N 1 3 316.449 2.053 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3nc[nH]c3C)C[C@H]2C1 ZINC000980228551 634906878 /nfs/dbraw/zinc/90/68/78/634906878.db2.gz GPFQZVOCFNUZJJ-HRCADAONSA-N 1 3 316.449 2.053 20 30 DEEDHO C=CCN1CC=C(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001001070025 635396484 /nfs/dbraw/zinc/39/64/84/635396484.db2.gz OIGVHDFOWYOXAR-KRWDZBQOSA-N 1 3 305.466 2.043 20 30 DEEDHO C=CCN1CC=C(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001001070025 635396489 /nfs/dbraw/zinc/39/64/89/635396489.db2.gz OIGVHDFOWYOXAR-KRWDZBQOSA-N 1 3 305.466 2.043 20 30 DEEDHO C=CCN1CCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028138472 635686603 /nfs/dbraw/zinc/68/66/03/635686603.db2.gz XERXKGGYDCASOL-GOSISDBHSA-N 1 3 315.461 2.171 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC000981864955 635699080 /nfs/dbraw/zinc/69/90/80/635699080.db2.gz IUQANWOSKIUVOS-KRWDZBQOSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC000981864955 635699083 /nfs/dbraw/zinc/69/90/83/635699083.db2.gz IUQANWOSKIUVOS-KRWDZBQOSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982554079 636263235 /nfs/dbraw/zinc/26/32/35/636263235.db2.gz UMMLQMCJDVEKTG-YTQUADARSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982554079 636263237 /nfs/dbraw/zinc/26/32/37/636263237.db2.gz UMMLQMCJDVEKTG-YTQUADARSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001028537250 636328957 /nfs/dbraw/zinc/32/89/57/636328957.db2.gz KOXMBPNIQGPCOC-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001028537250 636328960 /nfs/dbraw/zinc/32/89/60/636328960.db2.gz KOXMBPNIQGPCOC-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C[C@H]1C ZINC000947980385 637240184 /nfs/dbraw/zinc/24/01/84/637240184.db2.gz PDMGXIQPHOOYSH-UKRRQHHQSA-N 1 3 304.438 2.196 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C[C@H]1C ZINC000947980385 637240187 /nfs/dbraw/zinc/24/01/87/637240187.db2.gz PDMGXIQPHOOYSH-UKRRQHHQSA-N 1 3 304.438 2.196 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000900416529 642362928 /nfs/dbraw/zinc/36/29/28/642362928.db2.gz ADXVPFRQTDPQIM-UHFFFAOYSA-N 1 3 321.440 2.224 20 30 DEEDHO C=CCN(Cc1ccc(OC)cc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722523 643438925 /nfs/dbraw/zinc/43/89/25/643438925.db2.gz MAFQYMPBIMMYMY-RBUKOAKNSA-N 1 3 316.445 2.452 20 30 DEEDHO N#Cc1cccc(CN2CCC([NH2+]C[C@@H](N)CC(F)F)CC2)c1 ZINC000903932020 643513327 /nfs/dbraw/zinc/51/33/27/643513327.db2.gz LEIQQAMXXIPSNS-HNNXBMFYSA-N 1 3 322.403 2.095 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Cl)s1 ZINC000170905950 646674682 /nfs/dbraw/zinc/67/46/82/646674682.db2.gz PZVNMNGEHPXLJX-JTQLQIEISA-N 1 3 300.859 2.290 20 30 DEEDHO C=C(C)CN1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000993928476 647763136 /nfs/dbraw/zinc/76/31/36/647763136.db2.gz NNEZIMISYIAUHL-RDJZCZTQSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2CCC)C(C)(C)C1 ZINC000940790035 648941687 /nfs/dbraw/zinc/94/16/87/648941687.db2.gz SFIYNBKMIYGYNP-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2CCC)C(C)(C)C1 ZINC000940790035 648941689 /nfs/dbraw/zinc/94/16/89/648941689.db2.gz SFIYNBKMIYGYNP-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000304763019 685260824 /nfs/dbraw/zinc/26/08/24/685260824.db2.gz WJCRIYLDXZKZRX-ARFHVFGLSA-N 1 3 324.513 2.216 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000304763024 685260999 /nfs/dbraw/zinc/26/09/99/685260999.db2.gz WJCRIYLDXZKZRX-XHSDSOJGSA-N 1 3 324.513 2.216 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)c1cccc(C)c1 ZINC000304781497 685261143 /nfs/dbraw/zinc/26/11/43/685261143.db2.gz GITKTWUBPKABPB-RDJZCZTQSA-N 1 3 302.466 2.487 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145397 693862525 /nfs/dbraw/zinc/86/25/25/693862525.db2.gz OSTYHSYACXUEJS-LJQANCHMSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145397 693862527 /nfs/dbraw/zinc/86/25/27/693862527.db2.gz OSTYHSYACXUEJS-LJQANCHMSA-N 1 3 319.493 2.361 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc2ccccc2o1 ZINC000303893644 685238419 /nfs/dbraw/zinc/23/84/19/685238419.db2.gz SARWZGGIVXSJDJ-CQSZACIVSA-N 1 3 300.406 2.321 20 30 DEEDHO C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001016824767 687710899 /nfs/dbraw/zinc/71/08/99/687710899.db2.gz DXEDTZNMODBUND-IRXDYDNUSA-N 1 3 319.493 2.265 20 30 DEEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018176363 688071596 /nfs/dbraw/zinc/07/15/96/688071596.db2.gz HVYJAHMYICZMRI-TVFCKZIOSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001032445971 689153602 /nfs/dbraw/zinc/15/36/02/689153602.db2.gz SWQTUWPGEVHVEO-IKGGRYGDSA-N 1 3 305.466 2.111 20 30 DEEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001032445971 689153604 /nfs/dbraw/zinc/15/36/04/689153604.db2.gz SWQTUWPGEVHVEO-IKGGRYGDSA-N 1 3 305.466 2.111 20 30 DEEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001032472535 689159575 /nfs/dbraw/zinc/15/95/75/689159575.db2.gz XCOUNWXWDPYZOP-IRXDYDNUSA-N 1 3 317.477 2.114 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN2CCC)C1 ZINC001033125430 689398269 /nfs/dbraw/zinc/39/82/69/689398269.db2.gz DSBPMUADQVQTRN-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN2CCC)C1 ZINC001033125430 689398273 /nfs/dbraw/zinc/39/82/73/689398273.db2.gz DSBPMUADQVQTRN-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CN1CCCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034290308 689797042 /nfs/dbraw/zinc/79/70/42/689797042.db2.gz IBGPNXNZCSKAAM-MRXNPFEDSA-N 1 3 305.466 2.162 20 30 DEEDHO C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001034367188 689825060 /nfs/dbraw/zinc/82/50/60/689825060.db2.gz FJBBVANKOFMBOI-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001034367188 689825061 /nfs/dbraw/zinc/82/50/61/689825061.db2.gz FJBBVANKOFMBOI-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000876709383 689911567 /nfs/dbraw/zinc/91/15/67/689911567.db2.gz QIZAQZVKAACQHG-HOTGVXAUSA-N 1 3 321.852 2.410 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000876735032 689920603 /nfs/dbraw/zinc/92/06/03/689920603.db2.gz YEXUIRWUKNBZFR-ZLDLUXBVSA-N 1 3 301.862 2.083 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000876736363 689921143 /nfs/dbraw/zinc/92/11/43/689921143.db2.gz KAPFDNRKGBLYPS-SCRDCRAPSA-N 1 3 315.889 2.329 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000876736363 689921147 /nfs/dbraw/zinc/92/11/47/689921147.db2.gz KAPFDNRKGBLYPS-SCRDCRAPSA-N 1 3 315.889 2.329 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000876769662 689931871 /nfs/dbraw/zinc/93/18/71/689931871.db2.gz XGLYBJXVVKRWCA-CVEARBPZSA-N 1 3 321.852 2.237 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000876769662 689931875 /nfs/dbraw/zinc/93/18/75/689931875.db2.gz XGLYBJXVVKRWCA-CVEARBPZSA-N 1 3 321.852 2.237 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001034796950 689949865 /nfs/dbraw/zinc/94/98/65/689949865.db2.gz RTOYUZJKHZKPDC-DSPLQEQRSA-N 1 3 307.482 2.452 20 30 DEEDHO C=C[C@@H](CC)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000931217320 694342522 /nfs/dbraw/zinc/34/25/22/694342522.db2.gz PQIKOQFWAWFKPN-HNNXBMFYSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN1CC2(C1)CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035857380 690194850 /nfs/dbraw/zinc/19/48/50/690194850.db2.gz BEVLBXCYKACZCA-CALCHBBNSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CN1CC2(C1)CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035857380 690194852 /nfs/dbraw/zinc/19/48/52/690194852.db2.gz BEVLBXCYKACZCA-CALCHBBNSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC ZINC001037848235 690622113 /nfs/dbraw/zinc/62/21/13/690622113.db2.gz BMRPHFWKOBZPIC-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1CC ZINC001037855209 690624226 /nfs/dbraw/zinc/62/42/26/690624226.db2.gz OJKAXGKYCNRSTM-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001039431797 691104688 /nfs/dbraw/zinc/10/46/88/691104688.db2.gz UCOYFSBLTJVANM-IXDOHACOSA-N 1 3 307.482 2.214 20 30 DEEDHO C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040396976 691241876 /nfs/dbraw/zinc/24/18/76/691241876.db2.gz XLMSIGXEFNGWEQ-MJGOQNOKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040396976 691241877 /nfs/dbraw/zinc/24/18/77/691241877.db2.gz XLMSIGXEFNGWEQ-MJGOQNOKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001040848601 691292941 /nfs/dbraw/zinc/29/29/41/691292941.db2.gz LYLMNYWGWNIMLL-KRWDZBQOSA-N 1 3 319.493 2.219 20 30 DEEDHO C#CC[N@H+](C)CCCNCc1ccc2c(c1)OCCCCO2 ZINC000883131108 691435924 /nfs/dbraw/zinc/43/59/24/691435924.db2.gz HAIACRPQCYAVQV-UHFFFAOYSA-N 1 3 302.418 2.283 20 30 DEEDHO C#CC[N@@H+](C)CCCNCc1ccc2c(c1)OCCCCO2 ZINC000883131108 691435928 /nfs/dbraw/zinc/43/59/28/691435928.db2.gz HAIACRPQCYAVQV-UHFFFAOYSA-N 1 3 302.418 2.283 20 30 DEEDHO C=CCN1CCC(C)(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001045438276 691981374 /nfs/dbraw/zinc/98/13/74/691981374.db2.gz NFJASTJWJKQCOB-JKSUJKDBSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CCN1CCC(C)(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001045438276 691981376 /nfs/dbraw/zinc/98/13/76/691981376.db2.gz NFJASTJWJKQCOB-JKSUJKDBSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CCN1CC[C@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046626878 692242790 /nfs/dbraw/zinc/24/27/90/692242790.db2.gz WBLLSBCETFHWHN-IBGZPJMESA-N 1 3 315.461 2.171 20 30 DEEDHO C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCN1CCC)C2 ZINC001048531782 692640887 /nfs/dbraw/zinc/64/08/87/692640887.db2.gz DDGLZXHXBQACNL-XMTFNYHQSA-N 1 3 319.493 2.406 20 30 DEEDHO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCN1CCC)C2 ZINC001048531782 692640890 /nfs/dbraw/zinc/64/08/90/692640890.db2.gz DDGLZXHXBQACNL-XMTFNYHQSA-N 1 3 319.493 2.406 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001050046466 693090683 /nfs/dbraw/zinc/09/06/83/693090683.db2.gz FVTPHADWMBLQHI-RCCFBDPRSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001050046466 693090686 /nfs/dbraw/zinc/09/06/86/693090686.db2.gz FVTPHADWMBLQHI-RCCFBDPRSA-N 1 3 319.493 2.358 20 30 DEEDHO N#Cc1cccc(CN2CCC(N[C@@H]3CC[NH2+]C34CCC4)CC2)c1 ZINC000925702072 693326758 /nfs/dbraw/zinc/32/67/58/693326758.db2.gz KHOSCIUOLIHJTM-LJQANCHMSA-N 1 3 324.472 2.397 20 30 DEEDHO N#Cc1ccc(NCCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000925893170 693360610 /nfs/dbraw/zinc/36/06/10/693360610.db2.gz MJTRROVSQIIUIS-GVDBMIGSSA-N 1 3 313.449 2.266 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001052619271 693580250 /nfs/dbraw/zinc/58/02/50/693580250.db2.gz FDNLFHFBIVAWSK-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001052619271 693580253 /nfs/dbraw/zinc/58/02/53/693580253.db2.gz FDNLFHFBIVAWSK-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001402286645 1162315090 /nfs/dbraw/zinc/31/50/90/1162315090.db2.gz CWVWQOTYXAEVTK-GJZGRUSLSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001402286645 1162315091 /nfs/dbraw/zinc/31/50/91/1162315091.db2.gz CWVWQOTYXAEVTK-GJZGRUSLSA-N 1 3 313.873 2.098 20 30 DEEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC001331926960 1149780465 /nfs/dbraw/zinc/78/04/65/1149780465.db2.gz RBNYKFILPZRDSK-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC001353536499 1151836910 /nfs/dbraw/zinc/83/69/10/1151836910.db2.gz ZGNAQPRSXFGPTH-UAGQMJEPSA-N 1 3 305.466 2.064 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001569246585 1153832900 /nfs/dbraw/zinc/83/29/00/1153832900.db2.gz IJWLIUXCJZSTHR-OAHLLOKOSA-N 1 3 315.889 2.442 20 30 DEEDHO C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001389343368 1155315032 /nfs/dbraw/zinc/31/50/32/1155315032.db2.gz JAYMRLVAVRYRFR-HUUCEWRRSA-N 1 3 315.889 2.440 20 30 DEEDHO C=C(Cl)CNC1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCCC1 ZINC001392015153 1156849581 /nfs/dbraw/zinc/84/95/81/1156849581.db2.gz YHLSLPJCDNVKHN-CQSZACIVSA-N 1 3 315.889 2.344 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CCC ZINC001401833438 1162148687 /nfs/dbraw/zinc/14/86/87/1162148687.db2.gz WJTNAZFUSZFWMH-GJZGRUSLSA-N 1 3 315.889 2.345 20 30 DEEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001106730928 782897054 /nfs/dbraw/zinc/89/70/54/782897054.db2.gz XGTWWTIQVMWBRH-BRWVUGGUSA-N 1 3 307.482 2.119 20 30 DEEDHO C#CC[NH2+]CC1(CCNC(=O)CN(C)CCCCCC)CC1 ZINC001167474523 777128176 /nfs/dbraw/zinc/12/81/76/777128176.db2.gz DQYYGODBDBHXBV-UHFFFAOYSA-N 1 3 307.482 2.008 20 30 DEEDHO C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001104676529 778015987 /nfs/dbraw/zinc/01/59/87/778015987.db2.gz NZNWRJJUUXCURN-BRWVUGGUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001104681993 778019443 /nfs/dbraw/zinc/01/94/43/778019443.db2.gz WISLGNKVKXAJPH-RCCFBDPRSA-N 1 3 321.509 2.369 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1CC ZINC001087781349 779449505 /nfs/dbraw/zinc/44/95/05/779449505.db2.gz DYSSXFBINCBAAV-DLBZAZTESA-N 1 3 307.482 2.262 20 30 DEEDHO C#CC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001088314959 779938172 /nfs/dbraw/zinc/93/81/72/779938172.db2.gz KYXDAFPFGYBNBD-KRWDZBQOSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001088395048 780067389 /nfs/dbraw/zinc/06/73/89/780067389.db2.gz WBHNVYQNTNOZDU-ZWKOTPCHSA-N 1 3 319.493 2.243 20 30 DEEDHO C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966905028 783812093 /nfs/dbraw/zinc/81/20/93/783812093.db2.gz WVCBGJRCVAHHBP-IAGOWNOFSA-N 1 3 319.493 2.265 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001086497186 784794989 /nfs/dbraw/zinc/79/49/89/784794989.db2.gz AMAPFDCZYVCXHP-ULQDDVLXSA-N 1 3 307.482 2.310 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001096269424 787601166 /nfs/dbraw/zinc/60/11/66/787601166.db2.gz RRSOXEYSLHSZGT-SQNIBIBYSA-N 1 3 319.493 2.404 20 30 DEEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1CCC)C2 ZINC001097176977 788009838 /nfs/dbraw/zinc/00/98/38/788009838.db2.gz DRBMZIFQRMRIMW-NCOADZHNSA-N 1 3 305.466 2.158 20 30 DEEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1CCC)C2 ZINC001097176977 788009845 /nfs/dbraw/zinc/00/98/45/788009845.db2.gz DRBMZIFQRMRIMW-NCOADZHNSA-N 1 3 305.466 2.158 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)CC[C@@H]1C ZINC001133181865 788308141 /nfs/dbraw/zinc/30/81/41/788308141.db2.gz JXUCZRFLJWAPGG-DLBZAZTESA-N 1 3 309.498 2.369 20 30 DEEDHO C=C(C)C[N@@H+]1CCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001072734566 790233441 /nfs/dbraw/zinc/23/34/41/790233441.db2.gz KRKJALJXMBPPKY-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@H+]1CCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001072734566 790233445 /nfs/dbraw/zinc/23/34/45/790233445.db2.gz KRKJALJXMBPPKY-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCN1CCC2(CN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001147985447 791667335 /nfs/dbraw/zinc/66/73/35/791667335.db2.gz HMXYUVKJIVTSON-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCN1CCC2(CN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001147985447 791667342 /nfs/dbraw/zinc/66/73/42/791667342.db2.gz HMXYUVKJIVTSON-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CC[N@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315911 791737775 /nfs/dbraw/zinc/73/77/75/791737775.db2.gz ZZMYKZVNPXCCMP-UHFFFAOYSA-N 1 3 321.509 2.465 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315911 791737781 /nfs/dbraw/zinc/73/77/81/791737781.db2.gz ZZMYKZVNPXCCMP-UHFFFAOYSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001086942418 791856912 /nfs/dbraw/zinc/85/69/12/791856912.db2.gz QOBMXEGCTFJFSP-DLBZAZTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)C[C@]2(C)C1 ZINC001091910411 791898188 /nfs/dbraw/zinc/89/81/88/791898188.db2.gz WOOYPTZUNGXYPB-APWZRJJASA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)C[C@]2(C)C1 ZINC001091910411 791898192 /nfs/dbraw/zinc/89/81/92/791898192.db2.gz WOOYPTZUNGXYPB-APWZRJJASA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001099310553 792167205 /nfs/dbraw/zinc/16/72/05/792167205.db2.gz PHHSYYMUYFACPU-JKSUJKDBSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001099310553 792167208 /nfs/dbraw/zinc/16/72/08/792167208.db2.gz PHHSYYMUYFACPU-JKSUJKDBSA-N 1 3 307.482 2.121 20 30 DEEDHO CC#CC[NH2+]C1CC(CNC(=O)CN(C)CCCCCC)C1 ZINC001100765046 792831192 /nfs/dbraw/zinc/83/11/92/792831192.db2.gz QLSLBRAXYBGKCQ-UHFFFAOYSA-N 1 3 307.482 2.006 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)N(C)CC)C[C@]2(C)C1 ZINC001101285233 793102233 /nfs/dbraw/zinc/10/22/33/793102233.db2.gz UDFJLFBCXUWKPB-QAPCUYQASA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)N(C)CC)C[C@]2(C)C1 ZINC001101285233 793102239 /nfs/dbraw/zinc/10/22/39/793102239.db2.gz UDFJLFBCXUWKPB-QAPCUYQASA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101443711 793163786 /nfs/dbraw/zinc/16/37/86/793163786.db2.gz PDSSIWUHTNFMMX-AEFFLSMTSA-N 1 3 307.482 2.075 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101443711 793163793 /nfs/dbraw/zinc/16/37/93/793163793.db2.gz PDSSIWUHTNFMMX-AEFFLSMTSA-N 1 3 307.482 2.075 20 30 DEEDHO C#CCC[N@H+]1C[C@@H](CNC(=O)CN(C)CCCCCC)[C@H](C)C1 ZINC001102472144 793626101 /nfs/dbraw/zinc/62/61/01/793626101.db2.gz KIERZTDSFMJMEB-QZTJIDSGSA-N 1 3 321.509 2.206 20 30 DEEDHO C#CCC[N@@H+]1C[C@@H](CNC(=O)CN(C)CCCCCC)[C@H](C)C1 ZINC001102472144 793626108 /nfs/dbraw/zinc/62/61/08/793626108.db2.gz KIERZTDSFMJMEB-QZTJIDSGSA-N 1 3 321.509 2.206 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N(C)CC)C1 ZINC001103157930 793960337 /nfs/dbraw/zinc/96/03/37/793960337.db2.gz JSHDNUKVASACNP-HZPDHXFCSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N(C)CC)C1 ZINC001103157930 793960344 /nfs/dbraw/zinc/96/03/44/793960344.db2.gz JSHDNUKVASACNP-HZPDHXFCSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001103408718 794077933 /nfs/dbraw/zinc/07/79/33/794077933.db2.gz QIUOOGDVTOYXSD-BRWVUGGUSA-N 1 3 309.498 2.223 20 30 DEEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001103408718 794077940 /nfs/dbraw/zinc/07/79/40/794077940.db2.gz QIUOOGDVTOYXSD-BRWVUGGUSA-N 1 3 309.498 2.223 20 30 DEEDHO C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC[C@H]1C ZINC001175256502 794171051 /nfs/dbraw/zinc/17/10/51/794171051.db2.gz KYQJWNBCHNEOJE-HUUCEWRRSA-N 1 3 315.889 2.488 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)CCCC[NH2+]CC(C)C)CC1 ZINC001176738721 794484220 /nfs/dbraw/zinc/48/42/20/794484220.db2.gz RYFWGXAXBOUZCL-QGZVFWFLSA-N 1 3 321.509 2.252 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CCCC)CC1 ZINC001176737862 794484346 /nfs/dbraw/zinc/48/43/46/794484346.db2.gz NQZVRKNIMOXBNF-KRWDZBQOSA-N 1 3 321.509 2.396 20 30 DEEDHO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001176760109 794498605 /nfs/dbraw/zinc/49/86/05/794498605.db2.gz QAXPKXOPVGGYEG-SJORKVTESA-N 1 3 307.482 2.149 20 30 DEEDHO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]c1C ZINC001115169178 794695124 /nfs/dbraw/zinc/69/51/24/794695124.db2.gz BSOHDEGQALRGCM-HWWDLCQESA-N 1 3 316.449 2.053 20 30 DEEDHO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]c1C ZINC001115169178 794695126 /nfs/dbraw/zinc/69/51/26/794695126.db2.gz BSOHDEGQALRGCM-HWWDLCQESA-N 1 3 316.449 2.053 20 30 DEEDHO C=CCC[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCCCC1 ZINC001115572043 794826097 /nfs/dbraw/zinc/82/60/97/794826097.db2.gz ZTBLWKBTTUXIIO-UHFFFAOYSA-N 1 3 307.482 2.456 20 30 DEEDHO C=C(C)CC[NH2+]CCCCCCNC(=O)Cc1nc[nH]c1C ZINC001180159012 795253246 /nfs/dbraw/zinc/25/32/46/795253246.db2.gz UBBWLRHCRWZFRW-UHFFFAOYSA-N 1 3 306.454 2.493 20 30 DEEDHO CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001120439486 795459457 /nfs/dbraw/zinc/45/94/57/795459457.db2.gz HBBISEIFFLMBHV-ROUUACIJSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001120439486 795459461 /nfs/dbraw/zinc/45/94/61/795459461.db2.gz HBBISEIFFLMBHV-ROUUACIJSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001121267107 795610200 /nfs/dbraw/zinc/61/02/00/795610200.db2.gz DEYHHIYYKPESIS-HVEGKCCWSA-N 1 3 307.482 2.166 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)N(C)CC)C12CCC2 ZINC001203103871 796650302 /nfs/dbraw/zinc/65/03/02/796650302.db2.gz NJCUASRBRQCHJZ-HUUCEWRRSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001194265253 797702317 /nfs/dbraw/zinc/70/23/17/797702317.db2.gz COLPZFQJJBOCAK-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001194265253 797702320 /nfs/dbraw/zinc/70/23/20/797702320.db2.gz COLPZFQJJBOCAK-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001196216088 798022246 /nfs/dbraw/zinc/02/22/46/798022246.db2.gz ZTOPACNRJFZUAT-IRXDYDNUSA-N 1 3 309.498 2.462 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001196216088 798022254 /nfs/dbraw/zinc/02/22/54/798022254.db2.gz ZTOPACNRJFZUAT-IRXDYDNUSA-N 1 3 309.498 2.462 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)C[C@H](C)CC)CC1 ZINC001157092052 798142464 /nfs/dbraw/zinc/14/24/64/798142464.db2.gz HRLPQWWUDZJJFW-IAGOWNOFSA-N 1 3 321.509 2.204 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](CC)C[C@H](C)CC)CC1 ZINC001157092052 798142467 /nfs/dbraw/zinc/14/24/67/798142467.db2.gz HRLPQWWUDZJJFW-IAGOWNOFSA-N 1 3 321.509 2.204 20 30 DEEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001158289393 798376797 /nfs/dbraw/zinc/37/67/97/798376797.db2.gz GRZZUOGOPUGFQR-QZTJIDSGSA-N 1 3 319.493 2.360 20 30 DEEDHO CC#CCN1CC=C(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001161214061 798811200 /nfs/dbraw/zinc/81/12/00/798811200.db2.gz RIEFFNFIGRABOM-SFHVURJKSA-N 1 3 319.493 2.269 20 30 DEEDHO C=C(C)C[N@H+]1CC=C(CCNC(=O)CN2CCC(C)CC2)CC1 ZINC001161555149 798885064 /nfs/dbraw/zinc/88/50/64/798885064.db2.gz YFVBHZHNHWKAEP-UHFFFAOYSA-N 1 3 319.493 2.433 20 30 DEEDHO C=C(C)C[N@@H+]1CC=C(CCNC(=O)CN2CCC(C)CC2)CC1 ZINC001161555149 798885072 /nfs/dbraw/zinc/88/50/72/798885072.db2.gz YFVBHZHNHWKAEP-UHFFFAOYSA-N 1 3 319.493 2.433 20 30 DEEDHO C=CCCC[N@H+]1CC=C(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001161785335 798935619 /nfs/dbraw/zinc/93/56/19/798935619.db2.gz MSANKBOZUXCJGA-UHFFFAOYSA-N 1 3 316.449 2.365 20 30 DEEDHO C=CCCC[N@@H+]1CC=C(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001161785335 798935624 /nfs/dbraw/zinc/93/56/24/798935624.db2.gz MSANKBOZUXCJGA-UHFFFAOYSA-N 1 3 316.449 2.365 20 30 DEEDHO C=CCC[C@H](C)[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001202495986 798984431 /nfs/dbraw/zinc/98/44/31/798984431.db2.gz LWSIHAWKMMXABN-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001205461518 800359459 /nfs/dbraw/zinc/35/94/59/800359459.db2.gz LZCGGIRWQNUDAJ-KRWDZBQOSA-N 1 3 307.482 2.121 20 30 DEEDHO C#CCN1CCN(CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207291875 800724495 /nfs/dbraw/zinc/72/44/95/800724495.db2.gz DNBGYSMHJAIJIV-UHFFFAOYSA-N 1 3 311.473 2.149 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001207859060 800849996 /nfs/dbraw/zinc/84/99/96/800849996.db2.gz GXRKPKBNYGJTIN-HZPDHXFCSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001207859060 800849999 /nfs/dbraw/zinc/84/99/99/800849999.db2.gz GXRKPKBNYGJTIN-HZPDHXFCSA-N 1 3 305.466 2.018 20 30 DEEDHO C[NH+]1CCC(C)(CN2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC001208107725 800913607 /nfs/dbraw/zinc/91/36/07/800913607.db2.gz ZZTBGKKWWOJPDU-UHFFFAOYSA-N 1 3 312.461 2.412 20 30 DEEDHO C[NH+]1CCC(C)(CN2CCN(c3cccc(C#N)c3)CC2)CC1 ZINC001208111274 800914444 /nfs/dbraw/zinc/91/44/44/800914444.db2.gz JBPOOCRUDOHYFF-UHFFFAOYSA-N 1 3 312.461 2.412 20 30 DEEDHO C=CCC[C@H](C)[NH+]1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001229186524 801239283 /nfs/dbraw/zinc/23/92/83/801239283.db2.gz XMIFWLLCZJXZMM-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C[C@@H](C#N)c1ccc(NC(=O)[C@@H](N)CCCC[NH+](C)C)cc1 ZINC001218871242 802252207 /nfs/dbraw/zinc/25/22/07/802252207.db2.gz JPKHYIXBNNKUCS-BBRMVZONSA-N 1 3 302.422 2.311 20 30 DEEDHO C=CCCCCC[C@H](N)C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221245920 802542881 /nfs/dbraw/zinc/54/28/81/802542881.db2.gz IMGMJCCWBSDGOU-FUHWJXTLSA-N 1 3 307.482 2.489 20 30 DEEDHO CC#CCN1CCC(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001223480478 802793844 /nfs/dbraw/zinc/79/38/44/802793844.db2.gz MXPYNUVQKSFZAL-GOSISDBHSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CCC(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001223480478 802793847 /nfs/dbraw/zinc/79/38/47/802793847.db2.gz MXPYNUVQKSFZAL-GOSISDBHSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CCC(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001224884128 802914020 /nfs/dbraw/zinc/91/40/20/802914020.db2.gz OOBSJVHOSRSLST-SFHVURJKSA-N 1 3 321.509 2.204 20 30 DEEDHO C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001227817920 803284252 /nfs/dbraw/zinc/28/42/52/803284252.db2.gz PDULCHPGRPLUHN-PBHICJAKSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CC[NH2+]CCC[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001330915979 1149332426 /nfs/dbraw/zinc/33/24/26/1149332426.db2.gz LTCANWVPTQENTM-YOEHRIQHSA-N 1 3 313.461 2.259 20 30 DEEDHO C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN(C)CCC ZINC001328693671 1148824931 /nfs/dbraw/zinc/82/49/31/1148824931.db2.gz LJJAZKQFOYPTQY-IEBWSBKVSA-N 1 3 315.461 2.276 20 30 DEEDHO C=CCN(C)C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001328796420 1148836323 /nfs/dbraw/zinc/83/63/23/1148836323.db2.gz HJCBRJHDJGTSRV-KRWDZBQOSA-N 1 3 307.482 2.361 20 30 DEEDHO CC#CCN1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001500495402 1058854642 /nfs/dbraw/zinc/85/46/42/1058854642.db2.gz DKUMMLQNWNMXON-MJGOQNOKSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001500495402 1058854670 /nfs/dbraw/zinc/85/46/70/1058854670.db2.gz DKUMMLQNWNMXON-MJGOQNOKSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCN(C)CCN(CC)C(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@@H+]2C1 ZINC001467728791 1059693828 /nfs/dbraw/zinc/69/38/28/1059693828.db2.gz QEWRLTSBGUYADK-GVDBMIGSSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCN(C)CCN(CC)C(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@H+]2C1 ZINC001467728791 1059693834 /nfs/dbraw/zinc/69/38/34/1059693834.db2.gz QEWRLTSBGUYADK-GVDBMIGSSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001479835595 1061869823 /nfs/dbraw/zinc/86/98/23/1061869823.db2.gz XWKCVJAOJMXHNZ-CABCVRRESA-N 1 3 315.889 2.440 20 30 DEEDHO C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001479835595 1061869836 /nfs/dbraw/zinc/86/98/36/1061869836.db2.gz XWKCVJAOJMXHNZ-CABCVRRESA-N 1 3 315.889 2.440 20 30 DEEDHO C#CC[NH2+]CC1(NC(=O)[C@@H](C)N2CCCCCC2)CCCCC1 ZINC001506522682 1062080086 /nfs/dbraw/zinc/08/00/86/1062080086.db2.gz VXGDFTHKKZMSJJ-QGZVFWFLSA-N 1 3 319.493 2.293 20 30 DEEDHO C#CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001494215215 1064177240 /nfs/dbraw/zinc/17/72/40/1064177240.db2.gz YNJFKHHOKNHKOI-GOSISDBHSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001494215215 1064177245 /nfs/dbraw/zinc/17/72/45/1064177245.db2.gz YNJFKHHOKNHKOI-GOSISDBHSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001568513431 1064926098 /nfs/dbraw/zinc/92/60/98/1064926098.db2.gz LFQDKXKGNAUDQM-SJLPKXTDSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001568513431 1064926106 /nfs/dbraw/zinc/92/61/06/1064926106.db2.gz LFQDKXKGNAUDQM-SJLPKXTDSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001569518695 1065563307 /nfs/dbraw/zinc/56/33/07/1065563307.db2.gz KVJIVJWPEGHKAA-HZPDHXFCSA-N 1 3 307.482 2.406 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]CCC(C)C)C(C)C)CC1 ZINC001496640083 1065612300 /nfs/dbraw/zinc/61/23/00/1065612300.db2.gz YAQYJBGDHHHVIA-GOSISDBHSA-N 1 3 321.509 2.108 20 30 DEEDHO C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001569828217 1065749468 /nfs/dbraw/zinc/74/94/68/1065749468.db2.gz HRCQMUSMGLBGDN-QAPCUYQASA-N 1 3 315.461 2.374 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001496869324 1065767042 /nfs/dbraw/zinc/76/70/42/1065767042.db2.gz PQEVOVVSILSPEH-DLBZAZTESA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001496869324 1065767048 /nfs/dbraw/zinc/76/70/48/1065767048.db2.gz PQEVOVVSILSPEH-DLBZAZTESA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCC[NH2+]CC[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001570003549 1065875388 /nfs/dbraw/zinc/87/53/88/1065875388.db2.gz ALSSKHLVWAHPCI-INIZCTEOSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001570046848 1065901728 /nfs/dbraw/zinc/90/17/28/1065901728.db2.gz OAGMYFFNOJTKIT-ULQDDVLXSA-N 1 3 309.498 2.413 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001497989566 1066448717 /nfs/dbraw/zinc/44/87/17/1066448717.db2.gz CGFPGILACRBKCP-DLBZAZTESA-N 1 3 321.509 2.108 20 30 DEEDHO C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001499370847 1067199149 /nfs/dbraw/zinc/19/91/49/1067199149.db2.gz CQRALZBSTIFYTK-INIZCTEOSA-N 1 3 307.482 2.454 20 30 DEEDHO C#CCC[NH2+]CC1(NC(=O)[C@@H]2CCCN2C(C)C)CCCCC1 ZINC001570796077 1068119802 /nfs/dbraw/zinc/11/98/02/1068119802.db2.gz CVSOECGRQFKDTA-KRWDZBQOSA-N 1 3 319.493 2.291 20 30 DEEDHO C=C(C)C[NH+]1CCC(NC(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC001574836955 1069274505 /nfs/dbraw/zinc/27/45/05/1069274505.db2.gz XRIJDBHROOMEAH-SFHVURJKSA-N 1 3 313.445 2.378 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC001574851643 1069276114 /nfs/dbraw/zinc/27/61/14/1069276114.db2.gz ILTBLKYCPVHYOY-VHDGCEQUSA-N 1 3 309.841 2.264 20 30 DEEDHO C#CCN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CCCCC)CC1 ZINC001483987633 1079227091 /nfs/dbraw/zinc/22/70/91/1079227091.db2.gz XYSYBAIJAOXESP-UHFFFAOYSA-N 1 3 316.449 2.069 20 30 DEEDHO C#CCN(CCC)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001481136369 1079243807 /nfs/dbraw/zinc/24/38/07/1079243807.db2.gz BGNHKZQGUWMQAQ-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCN(CCC)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001481136369 1079243812 /nfs/dbraw/zinc/24/38/12/1079243812.db2.gz BGNHKZQGUWMQAQ-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001566623004 1075299142 /nfs/dbraw/zinc/29/91/42/1075299142.db2.gz FMQLYIZYLOEFHK-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001566623004 1075299147 /nfs/dbraw/zinc/29/91/47/1075299147.db2.gz FMQLYIZYLOEFHK-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCN1CCC[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001566871599 1075369371 /nfs/dbraw/zinc/36/93/71/1075369371.db2.gz GRRBBNJUVODAHS-INIZCTEOSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CCC[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001566871599 1075369373 /nfs/dbraw/zinc/36/93/73/1075369373.db2.gz GRRBBNJUVODAHS-INIZCTEOSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001267753843 1079454346 /nfs/dbraw/zinc/45/43/46/1079454346.db2.gz OOANATNAGKNFRS-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001267753843 1079454349 /nfs/dbraw/zinc/45/43/49/1079454349.db2.gz OOANATNAGKNFRS-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001656225290 1080069190 /nfs/dbraw/zinc/06/91/90/1080069190.db2.gz HGZMLBBITFEZEB-BRWVUGGUSA-N 1 3 307.482 2.310 20 30 DEEDHO C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001268199245 1080187088 /nfs/dbraw/zinc/18/70/88/1080187088.db2.gz GKSNRYKKIYEXDR-QGZVFWFLSA-N 1 3 309.498 2.463 20 30 DEEDHO C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001268199245 1080187091 /nfs/dbraw/zinc/18/70/91/1080187091.db2.gz GKSNRYKKIYEXDR-QGZVFWFLSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001268747778 1080966588 /nfs/dbraw/zinc/96/65/88/1080966588.db2.gz UKQRYXPFYQHZAA-PBHICJAKSA-N 1 3 313.461 2.212 20 30 DEEDHO C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001268747778 1080966591 /nfs/dbraw/zinc/96/65/91/1080966591.db2.gz UKQRYXPFYQHZAA-PBHICJAKSA-N 1 3 313.461 2.212 20 30 DEEDHO CC#CC[N@@H+](CCNC(=O)[C@@H](CC)N(C)C)C1CCCCCC1 ZINC001269611517 1081309672 /nfs/dbraw/zinc/30/96/72/1081309672.db2.gz LBODGRNOIAQXIO-GOSISDBHSA-N 1 3 321.509 2.491 20 30 DEEDHO CC#CC[N@H+](CCNC(=O)[C@@H](CC)N(C)C)C1CCCCCC1 ZINC001269611517 1081309677 /nfs/dbraw/zinc/30/96/77/1081309677.db2.gz LBODGRNOIAQXIO-GOSISDBHSA-N 1 3 321.509 2.491 20 30 DEEDHO C=CCCC[NH+]1CCC(C)(NC(=O)Cc2nc[nH]c2C)CC1 ZINC001270262059 1081488365 /nfs/dbraw/zinc/48/83/65/1081488365.db2.gz ZEDSTHLZNKKACE-UHFFFAOYSA-N 1 3 304.438 2.198 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001674135834 1081843127 /nfs/dbraw/zinc/84/31/27/1081843127.db2.gz SFCKTTNPCRIZSA-JKSUJKDBSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001674135834 1081843135 /nfs/dbraw/zinc/84/31/35/1081843135.db2.gz SFCKTTNPCRIZSA-JKSUJKDBSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266752775 1082322384 /nfs/dbraw/zinc/32/23/84/1082322384.db2.gz WRGJPWHWNYGOAX-SJORKVTESA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266752775 1082322391 /nfs/dbraw/zinc/32/23/91/1082322391.db2.gz WRGJPWHWNYGOAX-SJORKVTESA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]21 ZINC001482661287 1082441176 /nfs/dbraw/zinc/44/11/76/1082441176.db2.gz DFHLAWRXTZOFIV-SJORKVTESA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]21 ZINC001482661287 1082441177 /nfs/dbraw/zinc/44/11/77/1082441177.db2.gz DFHLAWRXTZOFIV-SJORKVTESA-N 1 3 321.509 2.463 20 30 DEEDHO C#CC[N@H+]1CC[C@H]2CN(C(=O)CN(C)CCCCCC)CC[C@H]21 ZINC001496862296 1083052420 /nfs/dbraw/zinc/05/24/20/1083052420.db2.gz IWPVJWOHCWAXQI-ZWKOTPCHSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)CCCCCC)CC[C@H]21 ZINC001496862296 1083052429 /nfs/dbraw/zinc/05/24/29/1083052429.db2.gz IWPVJWOHCWAXQI-ZWKOTPCHSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001277382313 1083936417 /nfs/dbraw/zinc/93/64/17/1083936417.db2.gz JWVGLXJDUBHWSG-SFHVURJKSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001277382313 1083936425 /nfs/dbraw/zinc/93/64/25/1083936425.db2.gz JWVGLXJDUBHWSG-SFHVURJKSA-N 1 3 319.493 2.360 20 30 DEEDHO C#CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001670924371 1084147539 /nfs/dbraw/zinc/14/75/39/1084147539.db2.gz XELXSEPMTYFYCZ-ROUUACIJSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001670924371 1084147540 /nfs/dbraw/zinc/14/75/40/1084147540.db2.gz XELXSEPMTYFYCZ-ROUUACIJSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCCN1CCCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001491225819 1084168421 /nfs/dbraw/zinc/16/84/21/1084168421.db2.gz JCSNWLUXXYHYGK-ROUUACIJSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CCN(C)CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C(C)C ZINC001486376479 1085248343 /nfs/dbraw/zinc/24/83/43/1085248343.db2.gz FSMNFOFGJWVEBK-IAGOWNOFSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCN(C)CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C(C)C ZINC001486376479 1085248349 /nfs/dbraw/zinc/24/83/49/1085248349.db2.gz FSMNFOFGJWVEBK-IAGOWNOFSA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961227061 1085645357 /nfs/dbraw/zinc/64/53/57/1085645357.db2.gz CAZGWHGVPANMFV-HZPDHXFCSA-N 1 3 316.449 2.089 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961227061 1085645361 /nfs/dbraw/zinc/64/53/61/1085645361.db2.gz CAZGWHGVPANMFV-HZPDHXFCSA-N 1 3 316.449 2.089 20 30 DEEDHO C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC000965933251 1085700779 /nfs/dbraw/zinc/70/07/79/1085700779.db2.gz VPYKDNAZPGFBGJ-HVEGKCCWSA-N 1 3 305.466 2.064 20 30 DEEDHO C=CCC[NH2+]C/C=C/CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001274369462 1091211244 /nfs/dbraw/zinc/21/12/44/1091211244.db2.gz QMNDMMPBUACVBW-IWAYRVGRSA-N 1 3 311.445 2.037 20 30 DEEDHO C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001274398422 1091224105 /nfs/dbraw/zinc/22/41/05/1091224105.db2.gz NQAOGAWAEDCNDT-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO Cc1ccc(CN2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)cc1C#N ZINC001275373772 1091699238 /nfs/dbraw/zinc/69/92/38/1091699238.db2.gz ORDRQYMMIGFYDP-OALUTQOASA-N 1 3 312.461 2.077 20 30 DEEDHO Cc1ccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)cc1C#N ZINC001275373772 1091699246 /nfs/dbraw/zinc/69/92/46/1091699246.db2.gz ORDRQYMMIGFYDP-OALUTQOASA-N 1 3 312.461 2.077 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC000948766416 1091922548 /nfs/dbraw/zinc/92/25/48/1091922548.db2.gz JZEVTWCDTDXENV-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC000948766416 1091922559 /nfs/dbraw/zinc/92/25/59/1091922559.db2.gz JZEVTWCDTDXENV-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000948766417 1091923214 /nfs/dbraw/zinc/92/32/14/1091923214.db2.gz JZEVTWCDTDXENV-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000948766417 1091923219 /nfs/dbraw/zinc/92/32/19/1091923219.db2.gz JZEVTWCDTDXENV-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO CCCCCCCCNC(=O)NCCCN(C)CCC[NH3+] ZINC001239231557 1139001099 /nfs/dbraw/zinc/00/10/99/1139001099.db2.gz QIHYIBAPHVLHBN-UHFFFAOYSA-N 1 3 300.491 2.317 20 30 DEEDHO C#CCC[NH2+]C[C@H](NC(=O)[C@@H](CC)N(C)C)C1CCCCC1 ZINC001319654143 1140643709 /nfs/dbraw/zinc/64/37/09/1140643709.db2.gz CQLTYAHDHSFUEB-DLBZAZTESA-N 1 3 307.482 2.005 20 30 DEEDHO C=CCCCCCC[C@@H](O)CN1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001246031291 1140849641 /nfs/dbraw/zinc/84/96/41/1140849641.db2.gz VSMCOQNLNAXCMB-RTBURBONSA-N 1 3 323.525 2.291 20 30 DEEDHO C=C(C)C[NH+]1CCC(C)(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001278627296 1142374974 /nfs/dbraw/zinc/37/49/74/1142374974.db2.gz OGEJPJVLMLPNDH-MRXNPFEDSA-N 1 3 307.482 2.123 20 30 DEEDHO C=CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001278685530 1142827738 /nfs/dbraw/zinc/82/77/38/1142827738.db2.gz AEYGEHCOSLVGPU-SJLPKXTDSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001278685530 1142827741 /nfs/dbraw/zinc/82/77/41/1142827741.db2.gz AEYGEHCOSLVGPU-SJLPKXTDSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C[C@@H](O)C[NH+]1CCC2(CC(N(C)Cc3ccncc3)C2)CC1 ZINC001253578133 1142882074 /nfs/dbraw/zinc/88/20/74/1142882074.db2.gz WDISGYMNFSYDOT-GOSISDBHSA-N 1 3 315.461 2.305 20 30 DEEDHO CCCCCCCC[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC001341768087 1143702248 /nfs/dbraw/zinc/70/22/48/1143702248.db2.gz PEAVLPUMFJPSSB-KKUMJFAQSA-N 1 3 301.450 2.223 20 30 DEEDHO C#CCN1CC[NH+]([C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256556243 1143853453 /nfs/dbraw/zinc/85/34/53/1143853453.db2.gz XREDTVNVOKZOJE-ICSRJNTNSA-N 1 3 311.473 2.290 20 30 DEEDHO C=CCC[NH+]1CCC(N(C)C(=O)CN(C)CC(C)(C)C)CC1 ZINC001265197552 1144664732 /nfs/dbraw/zinc/66/47/32/1144664732.db2.gz UMNLTNLAAYGWGC-UHFFFAOYSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001265333690 1144695123 /nfs/dbraw/zinc/69/51/23/1144695123.db2.gz BMLNRJIAOLPROC-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCN[C@H](C)c1ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001280350542 1144836150 /nfs/dbraw/zinc/83/61/50/1144836150.db2.gz LLKWYDTXFGFSKM-QAPCUYQASA-N 1 3 315.461 2.173 20 30 DEEDHO C#CCNC1(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCC1 ZINC001280499386 1144842860 /nfs/dbraw/zinc/84/28/60/1144842860.db2.gz CVTWOXNHPNEOBH-QGZVFWFLSA-N 1 3 317.477 2.045 20 30 DEEDHO C#CCNC1(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCC1 ZINC001280499386 1144842861 /nfs/dbraw/zinc/84/28/61/1144842861.db2.gz CVTWOXNHPNEOBH-QGZVFWFLSA-N 1 3 317.477 2.045 20 30 DEEDHO C#CC[NH2+]C1(CNC(=O)[C@H]2CCCCN2C2CCCC2)CCC1 ZINC001280499386 1144842862 /nfs/dbraw/zinc/84/28/62/1144842862.db2.gz CVTWOXNHPNEOBH-QGZVFWFLSA-N 1 3 317.477 2.045 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001317064510 1147655245 /nfs/dbraw/zinc/65/52/45/1147655245.db2.gz RWZXJIOGYSRMDM-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(Cl)CNC[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001367227012 1147666325 /nfs/dbraw/zinc/66/63/25/1147666325.db2.gz FTDXBOQEKWDQJU-CABCVRRESA-N 1 3 313.873 2.194 20 30 DEEDHO C=C(Cl)CNC[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001367227012 1147666327 /nfs/dbraw/zinc/66/63/27/1147666327.db2.gz FTDXBOQEKWDQJU-CABCVRRESA-N 1 3 313.873 2.194 20 30 DEEDHO C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001324739890 1147838789 /nfs/dbraw/zinc/83/87/89/1147838789.db2.gz DMDBZHISSSAZNX-KRWDZBQOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000186060682 186237009 /nfs/dbraw/zinc/23/70/09/186237009.db2.gz XGPSKVZGXPADOU-HNNXBMFYSA-N 1 3 303.450 2.422 20 30 DEEDHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000181500625 356083920 /nfs/dbraw/zinc/08/39/20/356083920.db2.gz PPIXBTVNCCDQMA-CVEARBPZSA-N 1 3 300.450 2.235 20 30 DEEDHO N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[C@H]3CN)CC2)c1 ZINC000593323920 358054305 /nfs/dbraw/zinc/05/43/05/358054305.db2.gz SXWYPIWOTZLYPH-PKOBYXMFSA-N 1 3 312.461 2.240 20 30 DEEDHO N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[C@@H]3CN)CC2)c1 ZINC000593323918 358054487 /nfs/dbraw/zinc/05/44/87/358054487.db2.gz SXWYPIWOTZLYPH-IEBWSBKVSA-N 1 3 312.461 2.240 20 30 DEEDHO C[C@H](NC1CCN(Cc2cccc(C#N)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000593321951 358054720 /nfs/dbraw/zinc/05/47/20/358054720.db2.gz JZTLPHOFXCNMOQ-KXBFYZLASA-N 1 3 312.461 2.253 20 30 DEEDHO C[C@@H](CCC#N)C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000602595871 360449071 /nfs/dbraw/zinc/44/90/71/360449071.db2.gz FKKASSPWPJQINC-MAUKXSAKSA-N 1 3 301.434 2.283 20 30 DEEDHO C#CCN1CCC(C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275729604 212506906 /nfs/dbraw/zinc/50/69/06/212506906.db2.gz XECIXVMZGDHRLM-UHFFFAOYSA-N 1 3 313.445 2.074 20 30 DEEDHO C[NH+](C)CCOc1ccc(CCNCc2ccc(C#N)o2)cc1 ZINC000266232844 205202589 /nfs/dbraw/zinc/20/25/89/205202589.db2.gz UYNSSPNTJOTXMZ-UHFFFAOYSA-N 1 3 313.401 2.424 20 30 DEEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000289384997 285251054 /nfs/dbraw/zinc/25/10/54/285251054.db2.gz CZUICOKHMSCZEO-LJQANCHMSA-N 1 3 314.477 2.406 20 30 DEEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000289384997 285251056 /nfs/dbraw/zinc/25/10/56/285251056.db2.gz CZUICOKHMSCZEO-LJQANCHMSA-N 1 3 314.477 2.406 20 30 DEEDHO CN(CCC(=O)Nc1sccc1C#N)C[C@H]1CCC[N@H+](C)C1 ZINC000152383037 402093773 /nfs/dbraw/zinc/09/37/73/402093773.db2.gz DBPDAAUMCRSEBI-ZDUSSCGKSA-N 1 3 320.462 2.222 20 30 DEEDHO CN(CCC(=O)Nc1sccc1C#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000152383037 402093777 /nfs/dbraw/zinc/09/37/77/402093777.db2.gz DBPDAAUMCRSEBI-ZDUSSCGKSA-N 1 3 320.462 2.222 20 30 DEEDHO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000185896066 402387018 /nfs/dbraw/zinc/38/70/18/402387018.db2.gz NEIVTSZYCVXKRZ-IPELMVKDSA-N 1 3 313.445 2.425 20 30 DEEDHO COCCN(C)CCCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000178421912 402496682 /nfs/dbraw/zinc/49/66/82/402496682.db2.gz KBYGOWYAAMKUEZ-UHFFFAOYSA-N 1 3 318.465 2.260 20 30 DEEDHO CN(C(=[NH2+])NC[C@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000273347892 402996454 /nfs/dbraw/zinc/99/64/54/402996454.db2.gz PEVSJFDCYHNDBU-CYBMUJFWSA-N 1 3 306.479 2.369 20 30 DEEDHO C=CCC[C@H](O)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000305078366 403823006 /nfs/dbraw/zinc/82/30/06/403823006.db2.gz LRPZBYHYRRFFKB-JZXOWHBKSA-N 1 3 310.482 2.135 20 30 DEEDHO CN1CCN(CCCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000567285373 292302713 /nfs/dbraw/zinc/30/27/13/292302713.db2.gz UUVJMYLNALBCND-LJQANCHMSA-N 1 3 312.461 2.163 20 30 DEEDHO C=CC[N@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414690584 404709454 /nfs/dbraw/zinc/70/94/54/404709454.db2.gz HTYBDFTZQDRQLN-KRWDZBQOSA-N 1 3 307.482 2.252 20 30 DEEDHO C=CC[N@@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414690584 404709458 /nfs/dbraw/zinc/70/94/58/404709458.db2.gz HTYBDFTZQDRQLN-KRWDZBQOSA-N 1 3 307.482 2.252 20 30 DEEDHO C=CCN1CCC(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416151755 405038419 /nfs/dbraw/zinc/03/84/19/405038419.db2.gz SEERNUAVDBSKLX-SFHVURJKSA-N 1 3 315.461 2.446 20 30 DEEDHO C=CCC[C@H](CO)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423155443 405706674 /nfs/dbraw/zinc/70/66/74/405706674.db2.gz LCLRSPOWVGQRKV-UWWQBHOKSA-N 1 3 302.418 2.159 20 30 DEEDHO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCC[C@H](N)C3)CC2)cc1 ZINC000423386633 405785297 /nfs/dbraw/zinc/78/52/97/405785297.db2.gz MDEHFBHGJKIMBS-HKUYNNGSSA-N 1 3 312.461 2.382 20 30 DEEDHO CC#CC[C@H](CO)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000641767388 406887607 /nfs/dbraw/zinc/88/76/07/406887607.db2.gz JWMGUXSJAFFUBX-LJQANCHMSA-N 1 3 300.446 2.057 20 30 DEEDHO N#CCCCC[C@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001355067120 1151977707 /nfs/dbraw/zinc/97/77/07/1151977707.db2.gz QJYHJIGNSRANSG-RDJZCZTQSA-N 1 3 320.481 2.026 20 30 DEEDHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCSCc1ccccc1C#N ZINC000422984958 230305190 /nfs/dbraw/zinc/30/51/90/230305190.db2.gz BSZQHUOHLQVDNV-IAOVAPTHSA-N 1 3 319.474 2.133 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)C(C)C ZINC000655444352 425568102 /nfs/dbraw/zinc/56/81/02/425568102.db2.gz COUIIBQSWVNYDQ-ZHALLVOQSA-N 1 3 319.493 2.191 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@]1(CC)CC[NH2+]C1)C(C)C ZINC000370846158 277849603 /nfs/dbraw/zinc/84/96/03/277849603.db2.gz KMRIDLZAQMJDGR-FUHWJXTLSA-N 1 3 307.482 2.191 20 30 DEEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2CCCC)[C@H]1C ZINC001088970997 782090412 /nfs/dbraw/zinc/09/04/12/782090412.db2.gz XGRGLPDFNHOJDX-FGTMMUONSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2CCCC)[C@H]1C ZINC001088970997 782090421 /nfs/dbraw/zinc/09/04/21/782090421.db2.gz XGRGLPDFNHOJDX-FGTMMUONSA-N 1 3 319.493 2.243 20 30 DEEDHO C[N@H+](CCCN1CCCC1)CCC(=O)Nc1sccc1C#N ZINC000337219318 522744551 /nfs/dbraw/zinc/74/45/51/522744551.db2.gz CKWPLGMNJYNPJU-UHFFFAOYSA-N 1 3 320.462 2.366 20 30 DEEDHO C[N@@H+](CCCN1CCCC1)CCC(=O)Nc1sccc1C#N ZINC000337219318 522744561 /nfs/dbraw/zinc/74/45/61/522744561.db2.gz CKWPLGMNJYNPJU-UHFFFAOYSA-N 1 3 320.462 2.366 20 30 DEEDHO C=CC[C@@H](CC)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000375640502 527043133 /nfs/dbraw/zinc/04/31/33/527043133.db2.gz BLIGJUCVYAYKCD-OAHLLOKOSA-N 1 3 322.497 2.199 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(Cl)s1 ZINC000264114840 529101359 /nfs/dbraw/zinc/10/13/59/529101359.db2.gz SBYHWBQKBNKDOQ-NSHDSACASA-N 1 3 314.886 2.333 20 30 DEEDHO C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001327528612 1148580863 /nfs/dbraw/zinc/58/08/63/1148580863.db2.gz BOVKDVINOIJAPU-MJGOQNOKSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CCN1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947311117 625447177 /nfs/dbraw/zinc/44/71/77/625447177.db2.gz YGFKSEPNIGYPNI-IRXDYDNUSA-N 1 3 319.493 2.243 20 30 DEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969833091 622942415 /nfs/dbraw/zinc/94/24/15/622942415.db2.gz LPNGSHFCIHHWDU-QAPCUYQASA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969833091 622942423 /nfs/dbraw/zinc/94/24/23/622942423.db2.gz LPNGSHFCIHHWDU-QAPCUYQASA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001022351274 624612053 /nfs/dbraw/zinc/61/20/53/624612053.db2.gz VRXNNJLBZZRGKB-QLFBSQMISA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001022351274 624612055 /nfs/dbraw/zinc/61/20/55/624612055.db2.gz VRXNNJLBZZRGKB-QLFBSQMISA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001023363888 625239041 /nfs/dbraw/zinc/23/90/41/625239041.db2.gz DXENGVNAERORBV-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001023363888 625239043 /nfs/dbraw/zinc/23/90/43/625239043.db2.gz DXENGVNAERORBV-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001024524247 625837767 /nfs/dbraw/zinc/83/77/67/625837767.db2.gz UNLKRZBCRDQYQL-QZTJIDSGSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001024524247 625837769 /nfs/dbraw/zinc/83/77/69/625837769.db2.gz UNLKRZBCRDQYQL-QZTJIDSGSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)CC1(C)C ZINC000995791510 633122632 /nfs/dbraw/zinc/12/26/32/633122632.db2.gz HXKQNYHWPRFBRR-JKSUJKDBSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)CC1(C)C ZINC000996378069 633250569 /nfs/dbraw/zinc/25/05/69/633250569.db2.gz DFRKXCYJXMIYDW-HOTGVXAUSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001027602065 634255640 /nfs/dbraw/zinc/25/56/40/634255640.db2.gz KQGKXKMRRMCICJ-SJORKVTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001027602065 634255643 /nfs/dbraw/zinc/25/56/43/634255643.db2.gz KQGKXKMRRMCICJ-SJORKVTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001000374648 635162863 /nfs/dbraw/zinc/16/28/63/635162863.db2.gz WEKWFGJAIYVKNE-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC000981091786 635305681 /nfs/dbraw/zinc/30/56/81/635305681.db2.gz QSKOFJBDIJSVPS-HZPDHXFCSA-N 1 3 307.482 2.454 20 30 DEEDHO C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC000981147567 635332749 /nfs/dbraw/zinc/33/27/49/635332749.db2.gz VFIYEYWOXOHAOM-KRWDZBQOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC000981147567 635332756 /nfs/dbraw/zinc/33/27/56/635332756.db2.gz VFIYEYWOXOHAOM-KRWDZBQOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CN1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000981330338 635437800 /nfs/dbraw/zinc/43/78/00/635437800.db2.gz DPXQBFPXXGSZHO-QGZVFWFLSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CN1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000981330338 635437803 /nfs/dbraw/zinc/43/78/03/635437803.db2.gz DPXQBFPXXGSZHO-QGZVFWFLSA-N 1 3 307.482 2.360 20 30 DEEDHO C#CC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000981540780 635523414 /nfs/dbraw/zinc/52/34/14/635523414.db2.gz GCUUWXQBEMKVAA-IRXDYDNUSA-N 1 3 313.445 2.012 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001028579552 636372094 /nfs/dbraw/zinc/37/20/94/636372094.db2.gz GVXBKDKFHHTEJT-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001028579552 636372098 /nfs/dbraw/zinc/37/20/98/636372098.db2.gz GVXBKDKFHHTEJT-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004460731 636460422 /nfs/dbraw/zinc/46/04/22/636460422.db2.gz WEOUVSAKOZEXMF-QGZVFWFLSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004460731 636460424 /nfs/dbraw/zinc/46/04/24/636460424.db2.gz WEOUVSAKOZEXMF-QGZVFWFLSA-N 1 3 319.493 2.360 20 30 DEEDHO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001004547142 636484850 /nfs/dbraw/zinc/48/48/50/636484850.db2.gz LSZMOAVABCFNAI-ZWKOTPCHSA-N 1 3 319.493 2.053 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001004547142 636484852 /nfs/dbraw/zinc/48/48/52/636484852.db2.gz LSZMOAVABCFNAI-ZWKOTPCHSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001004547479 636484900 /nfs/dbraw/zinc/48/49/00/636484900.db2.gz NCYICDKDXFAEIX-ZWKOTPCHSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001004547479 636484906 /nfs/dbraw/zinc/48/49/06/636484906.db2.gz NCYICDKDXFAEIX-ZWKOTPCHSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000948711904 636801985 /nfs/dbraw/zinc/80/19/85/636801985.db2.gz WTIGNUBTDSGAOM-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000948711904 636801991 /nfs/dbraw/zinc/80/19/91/636801991.db2.gz WTIGNUBTDSGAOM-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCC(F)(F)C(=O)N(CC[NH+](C)C)C[C@H]1CCCN1CC ZINC000815206145 646986625 /nfs/dbraw/zinc/98/66/25/646986625.db2.gz IJHSWZULEBEELN-CQSZACIVSA-N 1 3 317.424 2.072 20 30 DEEDHO CCCCCCCCNC(=[NH2+])NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000849000020 651577642 /nfs/dbraw/zinc/57/76/42/651577642.db2.gz HCDKTTNDZJFDHT-CVEARBPZSA-N 1 3 310.486 2.324 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001392197065 1156888282 /nfs/dbraw/zinc/88/82/82/1156888282.db2.gz VDZGLTXMCWDRLP-LSDHHAIUSA-N 1 3 315.889 2.297 20 30 DEEDHO CCC(CC)c1cc(CNC(=[NH2+])NC[C@@H]2CCCN2CC)on1 ZINC000304804849 685262181 /nfs/dbraw/zinc/26/21/81/685262181.db2.gz QUVNLIGKAGNZEE-AWEZNQCLSA-N 1 3 321.469 2.467 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOc1ccccc1Cl ZINC000130791417 684192667 /nfs/dbraw/zinc/19/26/67/684192667.db2.gz SGRASHLTIMNKII-ZDUSSCGKSA-N 1 3 324.856 2.107 20 30 DEEDHO C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001016652741 687674736 /nfs/dbraw/zinc/67/47/36/687674736.db2.gz WILUTYIDUQTKMD-DLBZAZTESA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033571225 689547876 /nfs/dbraw/zinc/54/78/76/689547876.db2.gz MOXFTSYIWHBAEQ-GOSISDBHSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCN1CCCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034479201 689866096 /nfs/dbraw/zinc/86/60/96/689866096.db2.gz UPTZFOZEGAVTPP-SFHVURJKSA-N 1 3 319.493 2.265 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000876721056 689914423 /nfs/dbraw/zinc/91/44/23/689914423.db2.gz QHSPZFNKPUQZND-INIZCTEOSA-N 1 3 321.852 2.369 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000876876531 689961269 /nfs/dbraw/zinc/96/12/69/689961269.db2.gz QOMIVWJTMUYQEW-OAHLLOKOSA-N 1 3 315.889 2.427 20 30 DEEDHO C=C(C)CN1CC2(C1)CCN(C(=O)C13CCC[NH+]1CCC3)CC2 ZINC001035738748 690165213 /nfs/dbraw/zinc/16/52/13/690165213.db2.gz LJIIGAHAGQGUOZ-UHFFFAOYSA-N 1 3 317.477 2.115 20 30 DEEDHO C=C(C)CN1CC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001035810967 690183261 /nfs/dbraw/zinc/18/32/61/690183261.db2.gz ZEWKSMBXCYPTQA-UHFFFAOYSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C(C)C)N(C)C ZINC001039293939 691076108 /nfs/dbraw/zinc/07/61/08/691076108.db2.gz FVYWYEVNFDSIEZ-NPYXIHBLSA-N 1 3 307.482 2.260 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001039437119 691105801 /nfs/dbraw/zinc/10/58/01/691105801.db2.gz BIUOTVCREGIIHG-KSZLIROESA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001039437119 691105802 /nfs/dbraw/zinc/10/58/02/691105802.db2.gz BIUOTVCREGIIHG-KSZLIROESA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001040261323 691222114 /nfs/dbraw/zinc/22/21/14/691222114.db2.gz MLUBHCCNODACKX-AEFFLSMTSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001040261323 691222116 /nfs/dbraw/zinc/22/21/16/691222116.db2.gz MLUBHCCNODACKX-AEFFLSMTSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001041357416 691367238 /nfs/dbraw/zinc/36/72/38/691367238.db2.gz HFDWKKIHFVWQBV-PKOBYXMFSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001041357416 691367239 /nfs/dbraw/zinc/36/72/39/691367239.db2.gz HFDWKKIHFVWQBV-PKOBYXMFSA-N 1 3 319.493 2.217 20 30 DEEDHO C#CC[N@@H+](C)CCCNCc1ccc(OC(F)F)c(OC)c1 ZINC000883131464 691436547 /nfs/dbraw/zinc/43/65/47/691436547.db2.gz CIIXNCUPDYWSDB-UHFFFAOYSA-N 1 3 312.360 2.341 20 30 DEEDHO C#CC[N@H+](C)CCCNCc1ccc(OC(F)F)c(OC)c1 ZINC000883131464 691436550 /nfs/dbraw/zinc/43/65/50/691436550.db2.gz CIIXNCUPDYWSDB-UHFFFAOYSA-N 1 3 312.360 2.341 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001042188266 691532902 /nfs/dbraw/zinc/53/29/02/691532902.db2.gz RGCKWYPQNSEWBJ-IRXDYDNUSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001042188266 691532905 /nfs/dbraw/zinc/53/29/05/691532905.db2.gz RGCKWYPQNSEWBJ-IRXDYDNUSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CN1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046561659 692224004 /nfs/dbraw/zinc/22/40/04/692224004.db2.gz JAOBVZDQFAIFNJ-AEFFLSMTSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CN1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001046561659 692224005 /nfs/dbraw/zinc/22/40/05/692224005.db2.gz JAOBVZDQFAIFNJ-AEFFLSMTSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001049663289 692958193 /nfs/dbraw/zinc/95/81/93/692958193.db2.gz LUDMUOARTMAGIH-KZNAEPCWSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001049663289 692958196 /nfs/dbraw/zinc/95/81/96/692958196.db2.gz LUDMUOARTMAGIH-KZNAEPCWSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001049663294 692958221 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20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001390607990 1155813373 /nfs/dbraw/zinc/81/33/73/1155813373.db2.gz HNMBJEHLJZNVGE-KGLIPLIRSA-N 1 3 313.873 2.240 20 30 DEEDHO C=C(Cl)CNC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001392764923 1157396600 /nfs/dbraw/zinc/39/66/00/1157396600.db2.gz MZNYLMYZUDGPBT-CABCVRRESA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CNC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001392764923 1157396609 /nfs/dbraw/zinc/39/66/09/1157396609.db2.gz MZNYLMYZUDGPBT-CABCVRRESA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001375577429 1158818898 /nfs/dbraw/zinc/81/88/98/1158818898.db2.gz KIPVUKBZNDFHTO-RRFJBIMHSA-N 1 3 315.889 2.200 20 30 DEEDHO C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001400075500 1161647266 /nfs/dbraw/zinc/64/72/66/1161647266.db2.gz AEPXTBGOJSXLSN-HIFRSBDPSA-N 1 3 315.889 2.296 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001439766103 1181226994 /nfs/dbraw/zinc/22/69/94/1181226994.db2.gz UHTXKUYGODVMMG-ZIAGYGMSSA-N 1 3 301.862 2.048 20 30 DEEDHO CCCCCCCC[C@H](N)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001122157645 782463182 /nfs/dbraw/zinc/46/31/82/782463182.db2.gz RDRFMPZUZXXGNH-FRRDWIJNSA-N 1 3 323.403 2.412 20 30 DEEDHO C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001104362681 777133123 /nfs/dbraw/zinc/13/31/23/777133123.db2.gz DGOFQLNQULBKHY-HZPDHXFCSA-N 1 3 309.498 2.367 20 30 DEEDHO C[NH+]1CCC(CCN2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC001207485226 778363364 /nfs/dbraw/zinc/36/33/64/778363364.db2.gz VIALBFVEVFIYKS-UHFFFAOYSA-N 1 3 312.461 2.412 20 30 DEEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)[C@H]1CC ZINC001087749641 779436762 /nfs/dbraw/zinc/43/67/62/779436762.db2.gz SRKFJWGUGCQYSM-OKZBNKHCSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)[C@H]1CC ZINC001087749641 779436767 /nfs/dbraw/zinc/43/67/67/779436767.db2.gz SRKFJWGUGCQYSM-OKZBNKHCSA-N 1 3 319.493 2.243 20 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783967287 /nfs/dbraw/zinc/96/72/87/783967287.db2.gz NQCXXYIYUUVTER-SJORKVTESA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCCN1CC[C@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085901513 784193941 /nfs/dbraw/zinc/19/39/41/784193941.db2.gz HDSQEJDXMGEQEY-KRWDZBQOSA-N 1 3 307.482 2.216 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001086102038 784410937 /nfs/dbraw/zinc/41/09/37/784410937.db2.gz GNZSADUMJSMAIX-QLFBSQMISA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001086102038 784410941 /nfs/dbraw/zinc/41/09/41/784410941.db2.gz GNZSADUMJSMAIX-QLFBSQMISA-N 1 3 313.873 2.098 20 30 DEEDHO C=CCCN1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001007751404 784992037 /nfs/dbraw/zinc/99/20/37/784992037.db2.gz ZHGBGKNCLDFXOX-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCN1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001007751404 784992040 /nfs/dbraw/zinc/99/20/40/784992040.db2.gz ZHGBGKNCLDFXOX-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014430821 786583391 /nfs/dbraw/zinc/58/33/91/786583391.db2.gz HHTJCLNQHXQKMR-IRXDYDNUSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014430821 786583397 /nfs/dbraw/zinc/58/33/97/786583397.db2.gz HHTJCLNQHXQKMR-IRXDYDNUSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCN1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132549751 788126847 /nfs/dbraw/zinc/12/68/47/788126847.db2.gz ZCJPWSCMCJPNBY-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C ZINC001132889241 788219616 /nfs/dbraw/zinc/21/96/16/788219616.db2.gz YPAUFWRQDFNDRQ-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1C ZINC001133197537 788313648 /nfs/dbraw/zinc/31/36/48/788313648.db2.gz ZLUFUOSWRIUJIH-MSOLQXFVSA-N 1 3 321.509 2.369 20 30 DEEDHO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001170750737 788915901 /nfs/dbraw/zinc/91/59/01/788915901.db2.gz MOVNILMHMPVJAJ-IAGOWNOFSA-N 1 3 307.482 2.147 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001134608682 789004476 /nfs/dbraw/zinc/00/44/76/789004476.db2.gz YZJVZLQLCMQWBL-STQMWFEESA-N 1 3 301.862 2.096 20 30 DEEDHO C=CC[N@H+]1C[C@H](NC(=O)c2occc2CN(C)C)CC[C@H]1C ZINC001071776545 789914935 /nfs/dbraw/zinc/91/49/35/789914935.db2.gz VEUKKCVAGAPJJP-UKRRQHHQSA-N 1 3 305.422 2.110 20 30 DEEDHO C=CC[N@@H+]1C[C@H](NC(=O)c2occc2CN(C)C)CC[C@H]1C ZINC001071776545 789914938 /nfs/dbraw/zinc/91/49/38/789914938.db2.gz VEUKKCVAGAPJJP-UKRRQHHQSA-N 1 3 305.422 2.110 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC2CCC2)CC1 ZINC001146610597 791322315 /nfs/dbraw/zinc/32/23/15/791322315.db2.gz KPWMEQRVXFTCSU-CVEARBPZSA-N 1 3 319.493 2.005 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148292900 791731389 /nfs/dbraw/zinc/73/13/89/791731389.db2.gz ZKOOVXIHTYKSTF-SJORKVTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148292900 791731391 /nfs/dbraw/zinc/73/13/91/791731391.db2.gz ZKOOVXIHTYKSTF-SJORKVTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCOC1CCC(N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC001173326723 793678417 /nfs/dbraw/zinc/67/84/17/793678417.db2.gz OHZDTGWCIUANKL-UHFFFAOYSA-N 1 3 321.509 2.214 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103087616 793934484 /nfs/dbraw/zinc/93/44/84/793934484.db2.gz JWSQDBVVXUNFFI-KBAYOESNSA-N 1 3 321.509 2.367 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103087616 793934490 /nfs/dbraw/zinc/93/44/90/793934490.db2.gz JWSQDBVVXUNFFI-KBAYOESNSA-N 1 3 321.509 2.367 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001103140347 793955182 /nfs/dbraw/zinc/95/51/82/793955182.db2.gz ZQKNSAIWVVBUPN-BRWVUGGUSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001103140347 793955185 /nfs/dbraw/zinc/95/51/85/793955185.db2.gz ZQKNSAIWVVBUPN-BRWVUGGUSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550587 794141083 /nfs/dbraw/zinc/14/10/83/794141083.db2.gz XUSRFSQHTWEPRL-IAGOWNOFSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550587 794141087 /nfs/dbraw/zinc/14/10/87/794141087.db2.gz XUSRFSQHTWEPRL-IAGOWNOFSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CCCC[NH2+]CCCNC(=O)c1ccccc1CN(C)C ZINC001176948334 794539432 /nfs/dbraw/zinc/53/94/32/794539432.db2.gz RWSBRPWAZASGMJ-UHFFFAOYSA-N 1 3 303.450 2.424 20 30 DEEDHO C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CCCN1C ZINC001178045041 794803778 /nfs/dbraw/zinc/80/37/78/794803778.db2.gz AYSUTLBDZJWJLA-CQSZACIVSA-N 1 3 301.862 2.099 20 30 DEEDHO C=C(Cl)C[NH2+]CCCCCCNC(=O)CN1CCC[C@@H]1C ZINC001179580318 795145422 /nfs/dbraw/zinc/14/54/22/795145422.db2.gz DNCUDTKSAFIGFA-HNNXBMFYSA-N 1 3 315.889 2.489 20 30 DEEDHO CC#CC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@H]2C)CCCCC1 ZINC001120190542 795419351 /nfs/dbraw/zinc/41/93/51/795419351.db2.gz UYNXDVSBMGLALM-IAGOWNOFSA-N 1 3 319.493 2.291 20 30 DEEDHO C=C(C)C[NH2+]C1CC2(CC(NC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001121238737 795607063 /nfs/dbraw/zinc/60/70/63/795607063.db2.gz UCRSBAMUQPDCDX-UHFFFAOYSA-N 1 3 305.466 2.064 20 30 DEEDHO C=CCCC[NH2+]C1CC2(CC(NC(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001121774100 795686050 /nfs/dbraw/zinc/68/60/50/795686050.db2.gz YKXVVMUKAQYEHY-FIXVGMIGSA-N 1 3 319.493 2.311 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001184575106 796086363 /nfs/dbraw/zinc/08/63/63/796086363.db2.gz BJSMCHMJPMJVEO-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)CN(CC)CC)C[C@H]1C ZINC001185361470 796238998 /nfs/dbraw/zinc/23/89/98/796238998.db2.gz YYAZKHDUAWQDIG-IAGOWNOFSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CCC[NH2+][C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203028398 796515246 /nfs/dbraw/zinc/51/52/46/796515246.db2.gz NJOCXMLELXFAPA-CABCVRRESA-N 1 3 305.466 2.064 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)N(CC)CC)[C@@H]2C1 ZINC001189111270 796765079 /nfs/dbraw/zinc/76/50/79/796765079.db2.gz XWKRXMWCKJTESK-YESZJQIVSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)N(CC)CC)[C@@H]2C1 ZINC001189111270 796765083 /nfs/dbraw/zinc/76/50/83/796765083.db2.gz XWKRXMWCKJTESK-YESZJQIVSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001192670999 797429274 /nfs/dbraw/zinc/42/92/74/797429274.db2.gz DKKGWACKFKGWBQ-DLBZAZTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001192670999 797429276 /nfs/dbraw/zinc/42/92/76/797429276.db2.gz DKKGWACKFKGWBQ-DLBZAZTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCN1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001160353802 798678799 /nfs/dbraw/zinc/67/87/99/798678799.db2.gz YXJHNHZFPIUFIU-GOSISDBHSA-N 1 3 319.493 2.289 20 30 DEEDHO C=CCN1CC=C(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160353802 798678803 /nfs/dbraw/zinc/67/88/03/798678803.db2.gz YXJHNHZFPIUFIU-GOSISDBHSA-N 1 3 319.493 2.289 20 30 DEEDHO Cc1cc(NCC2(N(C)C)CC[NH+](C)CC2)ccc1CC#N ZINC001164213314 799540972 /nfs/dbraw/zinc/54/09/72/799540972.db2.gz SEHCMMTUFBAOGV-UHFFFAOYSA-N 1 3 300.450 2.499 20 30 DEEDHO C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001206175770 800484921 /nfs/dbraw/zinc/48/49/21/800484921.db2.gz BFCCEOPWMOOXML-OAHLLOKOSA-N 1 3 315.889 2.153 20 30 DEEDHO C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001206952279 800640565 /nfs/dbraw/zinc/64/05/65/800640565.db2.gz HTRLKMAIYAULST-QGZVFWFLSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001208050470 800901926 /nfs/dbraw/zinc/90/19/26/800901926.db2.gz YWGOXBYCWUAHKN-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208328336 800955919 /nfs/dbraw/zinc/95/59/19/800955919.db2.gz CQVMMISKIYLYKT-CVEARBPZSA-N 1 3 307.482 2.406 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230627056 801440628 /nfs/dbraw/zinc/44/06/28/801440628.db2.gz AISWUHRNCJDARJ-GOSISDBHSA-N 1 3 319.493 2.053 20 30 DEEDHO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230627056 801440631 /nfs/dbraw/zinc/44/06/31/801440631.db2.gz AISWUHRNCJDARJ-GOSISDBHSA-N 1 3 319.493 2.053 20 30 DEEDHO CCCCC[C@H]([NH2+]C)C(=O)Nc1sc2c(c1C#N)CCNC2 ZINC001218553763 802204390 /nfs/dbraw/zinc/20/43/90/802204390.db2.gz RJNCPRSFPVNHJN-ZDUSSCGKSA-N 1 3 320.462 2.372 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]21 ZINC001222929812 802750241 /nfs/dbraw/zinc/75/02/41/802750241.db2.gz OHCAWKDICPILQT-SQNIBIBYSA-N 1 3 321.509 2.462 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]21 ZINC001222929812 802750248 /nfs/dbraw/zinc/75/02/48/802750248.db2.gz OHCAWKDICPILQT-SQNIBIBYSA-N 1 3 321.509 2.462 20 30 DEEDHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](CCC(C)C)CC1 ZINC001500042096 1058448431 /nfs/dbraw/zinc/44/84/31/1058448431.db2.gz KXOGSRDLUZCBGS-GOSISDBHSA-N 1 3 321.509 2.299 20 30 DEEDHO C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(N(C)C)CCC1)C2 ZINC001501166206 1059344840 /nfs/dbraw/zinc/34/48/40/1059344840.db2.gz KJVGFMQPTHFTCN-MUJYYYPQSA-N 1 3 305.466 2.016 20 30 DEEDHO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(N(C)C)CCC1)C2 ZINC001501166206 1059344860 /nfs/dbraw/zinc/34/48/60/1059344860.db2.gz KJVGFMQPTHFTCN-MUJYYYPQSA-N 1 3 305.466 2.016 20 30 DEEDHO C#CCN1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001502953283 1060408336 /nfs/dbraw/zinc/40/83/36/1060408336.db2.gz VLYDHACQSGWOIW-IAGOWNOFSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCN1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001502953283 1060408349 /nfs/dbraw/zinc/40/83/49/1060408349.db2.gz VLYDHACQSGWOIW-IAGOWNOFSA-N 1 3 319.493 2.243 20 30 DEEDHO C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)C ZINC001503677691 1060456501 /nfs/dbraw/zinc/45/65/01/1060456501.db2.gz JBMGRDUFJZJVQM-SFHVURJKSA-N 1 3 315.461 2.230 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)CCC)C(C)(C)[C@H]21 ZINC001479613553 1061518300 /nfs/dbraw/zinc/51/83/00/1061518300.db2.gz NEZDYSPEIZNUAH-OIISXLGYSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)CCC)C(C)(C)[C@H]21 ZINC001479613553 1061518321 /nfs/dbraw/zinc/51/83/21/1061518321.db2.gz NEZDYSPEIZNUAH-OIISXLGYSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCC[NH2+][C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)C1CC1 ZINC001480049356 1062239685 /nfs/dbraw/zinc/23/96/85/1062239685.db2.gz BQCAZPPOKGHBNC-WBVHZDCISA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001480161537 1062408441 /nfs/dbraw/zinc/40/84/41/1062408441.db2.gz GDBXZRQWECQBAT-BRWVUGGUSA-N 1 3 307.482 2.452 20 30 DEEDHO C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001493850110 1063991246 /nfs/dbraw/zinc/99/12/46/1063991246.db2.gz OPXBFUULXRQLFK-WBVHZDCISA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN[C@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001567662954 1064328427 /nfs/dbraw/zinc/32/84/27/1064328427.db2.gz DQCDFADJNXIFSX-QGZVFWFLSA-N 1 3 313.445 2.105 20 30 DEEDHO C=C(C)CN[C@@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001567662950 1064328800 /nfs/dbraw/zinc/32/88/00/1064328800.db2.gz DQCDFADJNXIFSX-KRWDZBQOSA-N 1 3 313.445 2.105 20 30 DEEDHO C=CCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001568368253 1064811871 /nfs/dbraw/zinc/81/18/71/1064811871.db2.gz FDHOSGANKWJTCK-IRXDYDNUSA-N 1 3 307.482 2.121 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@H]([NH2+]CCC(=C)C)C(C)C)CC1 ZINC001568470728 1064892204 /nfs/dbraw/zinc/89/22/04/1064892204.db2.gz UIFHBYFUWQMYQE-SFHVURJKSA-N 1 3 319.493 2.028 20 30 DEEDHO C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCCN2C(C)C)CCCC1 ZINC001495949004 1065190179 /nfs/dbraw/zinc/19/01/79/1065190179.db2.gz MTYCIODJTHZLPH-INIZCTEOSA-N 1 3 307.482 2.454 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001496338110 1065414397 /nfs/dbraw/zinc/41/43/97/1065414397.db2.gz AWJLRHVWXSQTOH-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC001629373605 1078316607 /nfs/dbraw/zinc/31/66/07/1078316607.db2.gz RQUPNAYZWGQBEI-UHFFFAOYSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001499574143 1067264621 /nfs/dbraw/zinc/26/46/21/1067264621.db2.gz NROUPPVYHRBQLM-GOSISDBHSA-N 1 3 316.449 2.233 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001499574143 1067264627 /nfs/dbraw/zinc/26/46/27/1067264627.db2.gz NROUPPVYHRBQLM-GOSISDBHSA-N 1 3 316.449 2.233 20 30 DEEDHO C=CCC[NH2+][C@@H](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001267200502 1078660612 /nfs/dbraw/zinc/66/06/12/1078660612.db2.gz CSAOXTRZSYYHCD-HOTGVXAUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCN1CCC(C)(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001483977159 1079222477 /nfs/dbraw/zinc/22/24/77/1079222477.db2.gz UXPVGZCDHARKES-UHFFFAOYSA-N 1 3 307.482 2.409 20 30 DEEDHO C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCN1CCC)C1CCCC1 ZINC001484000888 1079237154 /nfs/dbraw/zinc/23/71/54/1079237154.db2.gz KJZRYOGZPRQDJL-IAGOWNOFSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001566055489 1075222129 /nfs/dbraw/zinc/22/21/29/1075222129.db2.gz XIZMQUMGSNIHAH-SJORKVTESA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001566055489 1075222131 /nfs/dbraw/zinc/22/21/31/1075222131.db2.gz XIZMQUMGSNIHAH-SJORKVTESA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(Cl)CN[C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001485144945 1080012054 /nfs/dbraw/zinc/01/20/54/1080012054.db2.gz AQUHXABCUQWSLO-KBPBESRZSA-N 1 3 315.889 2.486 20 30 DEEDHO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001268084449 1080039760 /nfs/dbraw/zinc/03/97/60/1080039760.db2.gz FVNSMNBMIZZDFQ-YOEHRIQHSA-N 1 3 313.461 2.212 20 30 DEEDHO C#CCN1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCCCC)CC1 ZINC001656108947 1080048337 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CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001317203861 1147676267 /nfs/dbraw/zinc/67/62/67/1147676267.db2.gz APIQINQMPZNLOM-QZTJIDSGSA-N 1 3 319.493 2.195 20 30 DEEDHO CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001317203861 1147676269 /nfs/dbraw/zinc/67/62/69/1147676269.db2.gz APIQINQMPZNLOM-QZTJIDSGSA-N 1 3 319.493 2.195 20 30 DEEDHO C=C(C)CC[NH2+]C1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001317216527 1147678607 /nfs/dbraw/zinc/67/86/07/1147678607.db2.gz BIEQQDOHXFXNCE-UHFFFAOYSA-N 1 3 307.482 2.454 20 30 DEEDHO C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001317687139 1147744592 /nfs/dbraw/zinc/74/45/92/1147744592.db2.gz QLVYUSWLUJPIDJ-RDJZCZTQSA-N 1 3 309.498 2.365 20 30 DEEDHO C[NH+]=C(NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)NC1CC1 ZINC000262670282 530039218 /nfs/dbraw/zinc/03/92/18/530039218.db2.gz PDRZXJXBTOOJPM-WFASDCNBSA-N 1 3 306.479 2.458 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000417057731 540164599 /nfs/dbraw/zinc/16/45/99/540164599.db2.gz CRUJRDFOQBPFGR-BRWVUGGUSA-N 1 3 322.497 2.254 20 30 DEEDHO C=CCN1CCC(NC(NCc2sc(C)nc2C)=[NH+]C)CC1 ZINC000089062140 355521178 /nfs/dbraw/zinc/52/11/78/355521178.db2.gz BGZUXBAEXZFVAM-UHFFFAOYSA-N 1 3 321.494 2.075 20 30 DEEDHO CN(CCc1ccc(C#N)cc1)CC[N@H+](C)C1CCN(C)CC1 ZINC000595391704 358438789 /nfs/dbraw/zinc/43/87/89/358438789.db2.gz NLFKLPYOCOZJAK-UHFFFAOYSA-N 1 3 314.477 2.059 20 30 DEEDHO CN(CCc1ccc(C#N)cc1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000595391704 358438792 /nfs/dbraw/zinc/43/87/92/358438792.db2.gz NLFKLPYOCOZJAK-UHFFFAOYSA-N 1 3 314.477 2.059 20 30 DEEDHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000597925869 359044056 /nfs/dbraw/zinc/04/40/56/359044056.db2.gz XMYOYZGIQWGKJQ-IAGOWNOFSA-N 1 3 324.428 2.230 20 30 DEEDHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000597925869 359044059 /nfs/dbraw/zinc/04/40/59/359044059.db2.gz XMYOYZGIQWGKJQ-IAGOWNOFSA-N 1 3 324.428 2.230 20 30 DEEDHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442781599 238075919 /nfs/dbraw/zinc/07/59/19/238075919.db2.gz JKZXMJQGCAWHIW-DLBZAZTESA-N 1 3 301.434 2.451 20 30 DEEDHO C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H]2CCCCN2CC)C1 ZINC001422294926 1172462403 /nfs/dbraw/zinc/46/24/03/1172462403.db2.gz XLTWITRZKNSXTE-YMAMQOFZSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000106275968 194193985 /nfs/dbraw/zinc/19/39/85/194193985.db2.gz SXUXPPXWEVKDTD-UHFFFAOYSA-N 1 3 324.513 2.445 20 30 DEEDHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)[C@@H](C)C1 ZINC000249659094 145188565 /nfs/dbraw/zinc/18/85/65/145188565.db2.gz VRKIPKLVRNXTHP-MAUKXSAKSA-N 1 3 318.465 2.123 20 30 DEEDHO CCSc1cc(CNC(=[NH2+])NC[C@H]2CCCN2CC)ccn1 ZINC000186883096 402469329 /nfs/dbraw/zinc/46/93/29/402469329.db2.gz WRTVHWDDWXZQEB-CQSZACIVSA-N 1 3 321.494 2.082 20 30 DEEDHO C=CCN1CCC(NC(=O)N(C)C2CC[NH+](CCC)CC2)CC1 ZINC000171739281 402616924 /nfs/dbraw/zinc/61/69/24/402616924.db2.gz RAIUPJVJSBMJJY-UHFFFAOYSA-N 1 3 322.497 2.153 20 30 DEEDHO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(OCC#N)cc1 ZINC000181560765 402649824 /nfs/dbraw/zinc/64/98/24/402649824.db2.gz HSIKOPLLPDBCGE-HNNXBMFYSA-N 1 3 317.433 2.086 20 30 DEEDHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280479486 403003998 /nfs/dbraw/zinc/00/39/98/403003998.db2.gz UTECBCVTWDWWRC-MSOLQXFVSA-N 1 3 324.428 2.041 20 30 DEEDHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280479486 403003999 /nfs/dbraw/zinc/00/39/99/403003999.db2.gz UTECBCVTWDWWRC-MSOLQXFVSA-N 1 3 324.428 2.041 20 30 DEEDHO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000356789203 404691630 /nfs/dbraw/zinc/69/16/30/404691630.db2.gz UGULULZOJKOIIC-WMLDXEAASA-N 1 3 312.417 2.085 20 30 DEEDHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000356789203 404691631 /nfs/dbraw/zinc/69/16/31/404691631.db2.gz UGULULZOJKOIIC-WMLDXEAASA-N 1 3 312.417 2.085 20 30 DEEDHO C=CCOCCCN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420976519 405418726 /nfs/dbraw/zinc/41/87/26/405418726.db2.gz HDXQNTFPZUERFN-UHFFFAOYSA-N 1 3 309.498 2.071 20 30 DEEDHO C=CCOCCCN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420976519 405418728 /nfs/dbraw/zinc/41/87/28/405418728.db2.gz HDXQNTFPZUERFN-UHFFFAOYSA-N 1 3 309.498 2.071 20 30 DEEDHO C=CCC[C@H](CO)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423155440 405705780 /nfs/dbraw/zinc/70/57/80/405705780.db2.gz LCLRSPOWVGQRKV-HFTRVMKXSA-N 1 3 302.418 2.159 20 30 DEEDHO C=CCc1ccccc1OC[C@H](O)CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000569803958 406304955 /nfs/dbraw/zinc/30/49/55/406304955.db2.gz GTCPLBAIUWYVEC-BPQIPLTHSA-N 1 3 318.461 2.227 20 30 DEEDHO C=CCc1ccccc1OC[C@H](O)CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000569803958 406304957 /nfs/dbraw/zinc/30/49/57/406304957.db2.gz GTCPLBAIUWYVEC-BPQIPLTHSA-N 1 3 318.461 2.227 20 30 DEEDHO C#CCNC(=O)[C@H](C)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000490924180 406507840 /nfs/dbraw/zinc/50/78/40/406507840.db2.gz OERYGLOCNGBVKB-KRWDZBQOSA-N 1 3 321.509 2.204 20 30 DEEDHO C#CCNC(=O)[C@H](C)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000490924180 406507842 /nfs/dbraw/zinc/50/78/42/406507842.db2.gz OERYGLOCNGBVKB-KRWDZBQOSA-N 1 3 321.509 2.204 20 30 DEEDHO C#C[C@@H](NC(=[NH2+])NC[C@@H]1CCCN1CC)c1ccc(F)cc1 ZINC000491523829 406610502 /nfs/dbraw/zinc/61/05/02/406610502.db2.gz HNQYFCLTPQPZKP-JKSUJKDBSA-N 1 3 302.397 2.098 20 30 DEEDHO C=CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C1CC1 ZINC000654981948 425478071 /nfs/dbraw/zinc/47/80/71/425478071.db2.gz DYJXWQHNQFGGSD-UHFFFAOYSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)C[C@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000340120147 277850135 /nfs/dbraw/zinc/85/01/35/277850135.db2.gz HFABJPJUYCSELK-IXDOHACOSA-N 1 3 307.482 2.319 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@@H]1CC)C(C)C ZINC000353451047 277851940 /nfs/dbraw/zinc/85/19/40/277851940.db2.gz PHJBBUCKYUYRFF-BRWVUGGUSA-N 1 3 307.482 2.189 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)C1([NH3+])CCCCC1)C(C)C ZINC000236678280 332201034 /nfs/dbraw/zinc/20/10/34/332201034.db2.gz WBXXIJVBVTUZCP-MRXNPFEDSA-N 1 3 307.482 2.463 20 30 DEEDHO N#C[C@@H]1CCC[C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000248869448 341388951 /nfs/dbraw/zinc/38/89/51/341388951.db2.gz QKGUZYBZWMIHPB-SPUZQDLCSA-N 1 3 305.466 2.426 20 30 DEEDHO C=C(CC)CN1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451526643 534387446 /nfs/dbraw/zinc/38/74/46/534387446.db2.gz INMXUCIDWNMBMZ-GOSISDBHSA-N 1 3 307.482 2.219 20 30 DEEDHO C=C(CC)CN1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451526643 534387455 /nfs/dbraw/zinc/38/74/55/534387455.db2.gz INMXUCIDWNMBMZ-GOSISDBHSA-N 1 3 307.482 2.219 20 30 DEEDHO C[NH+]=C(NC[C@H](C)N1CCC[C@H](C)C1)NC[C@@H]1CCCS1 ZINC000262002217 526374929 /nfs/dbraw/zinc/37/49/29/526374929.db2.gz UTCGFXUJSUVHNU-KKUMJFAQSA-N 1 3 312.527 2.167 20 30 DEEDHO C[NH+]=C(NC[C@]1(N(C)C)CCC[C@H](C)C1)N(C)C[C@@H]1CCOC1 ZINC000261626092 526378551 /nfs/dbraw/zinc/37/85/51/526378551.db2.gz IPIGORJUEWULRT-BQFCYCMXSA-N 1 3 324.513 2.041 20 30 DEEDHO C=CCC(C)(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000339546291 526991299 /nfs/dbraw/zinc/99/12/99/526991299.db2.gz OJXKQKPNFIORRZ-UHFFFAOYSA-N 1 3 307.482 2.264 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc2cccnc21 ZINC000264077917 529074394 /nfs/dbraw/zinc/07/43/94/529074394.db2.gz GGUNNFLJBULYHU-MRXNPFEDSA-N 1 3 311.433 2.123 20 30 DEEDHO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)CCC)C[C@@]2(C)C1 ZINC001330538517 1149185687 /nfs/dbraw/zinc/18/56/87/1149185687.db2.gz QVLRAROQMWAHIH-HDICACEKSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)CCC)C[C@@]2(C)C1 ZINC001330538517 1149185708 /nfs/dbraw/zinc/18/57/08/1149185708.db2.gz QVLRAROQMWAHIH-HDICACEKSA-N 1 3 307.482 2.075 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]12 ZINC001026385491 625393770 /nfs/dbraw/zinc/39/37/70/625393770.db2.gz CAIHVLUFDBKVQH-KZNAEPCWSA-N 1 3 319.493 2.121 20 30 DEEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000970025903 623065652 /nfs/dbraw/zinc/06/56/52/623065652.db2.gz ALNHCBUOAMLDTR-DOTOQJQBSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000970025903 623065657 /nfs/dbraw/zinc/06/56/57/623065657.db2.gz ALNHCBUOAMLDTR-DOTOQJQBSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001022351275 624612040 /nfs/dbraw/zinc/61/20/40/624612040.db2.gz VRXNNJLBZZRGKB-ZNMIVQPWSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001022351275 624612044 /nfs/dbraw/zinc/61/20/44/624612044.db2.gz VRXNNJLBZZRGKB-ZNMIVQPWSA-N 1 3 313.873 2.096 20 30 DEEDHO C=CCN1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974679127 633231071 /nfs/dbraw/zinc/23/10/71/633231071.db2.gz GMGZTNQAZILJIH-HZPDHXFCSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCN1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974679127 633231074 /nfs/dbraw/zinc/23/10/74/633231074.db2.gz GMGZTNQAZILJIH-HZPDHXFCSA-N 1 3 307.482 2.262 20 30 DEEDHO C#CCCN1C[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974686890 633236364 /nfs/dbraw/zinc/23/63/64/633236364.db2.gz YJRKMNUVAXDHDJ-SJORKVTESA-N 1 3 319.493 2.099 20 30 DEEDHO C#CCCN1C[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974686890 633236366 /nfs/dbraw/zinc/23/63/66/633236366.db2.gz YJRKMNUVAXDHDJ-SJORKVTESA-N 1 3 319.493 2.099 20 30 DEEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)CC1(C)C ZINC000996378072 633250555 /nfs/dbraw/zinc/25/05/55/633250555.db2.gz DFRKXCYJXMIYDW-JKSUJKDBSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC000997079972 633568019 /nfs/dbraw/zinc/56/80/19/633568019.db2.gz URCXDKVPMMRKHL-WBVHZDCISA-N 1 3 307.482 2.262 20 30 DEEDHO C#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000998018610 634115164 /nfs/dbraw/zinc/11/51/64/634115164.db2.gz VUJAZCLTFMSLDC-ZWKOTPCHSA-N 1 3 319.493 2.195 20 30 DEEDHO C#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000998018610 634115167 /nfs/dbraw/zinc/11/51/67/634115167.db2.gz VUJAZCLTFMSLDC-ZWKOTPCHSA-N 1 3 319.493 2.195 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3nc[nH]c3C)C[C@H]2C1 ZINC000980228552 634906380 /nfs/dbraw/zinc/90/63/80/634906380.db2.gz GPFQZVOCFNUZJJ-JYJNAYRXSA-N 1 3 316.449 2.053 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3nc[nH]c3C)C[C@H]2C1 ZINC000980228552 634906383 /nfs/dbraw/zinc/90/63/83/634906383.db2.gz GPFQZVOCFNUZJJ-JYJNAYRXSA-N 1 3 316.449 2.053 20 30 DEEDHO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000980479171 635017178 /nfs/dbraw/zinc/01/71/78/635017178.db2.gz UEMCYFKYOLXVPJ-QGZVFWFLSA-N 1 3 315.461 2.471 20 30 DEEDHO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000980479171 635017180 /nfs/dbraw/zinc/01/71/80/635017180.db2.gz UEMCYFKYOLXVPJ-QGZVFWFLSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CCN1CC=C(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001001332925 635465419 /nfs/dbraw/zinc/46/54/19/635465419.db2.gz RQHZJYZRYYVGCQ-UHFFFAOYSA-N 1 3 305.466 2.041 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC000982163803 635890360 /nfs/dbraw/zinc/89/03/60/635890360.db2.gz SWOSPDYVIDUGLY-KRWDZBQOSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982520313 636216288 /nfs/dbraw/zinc/21/62/88/636216288.db2.gz QJBHMMHFQUPMMM-QRQLOZEOSA-N 1 3 321.509 2.319 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982520313 636216292 /nfs/dbraw/zinc/21/62/92/636216292.db2.gz QJBHMMHFQUPMMM-QRQLOZEOSA-N 1 3 321.509 2.319 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004546099 636483472 /nfs/dbraw/zinc/48/34/72/636483472.db2.gz GONWTPYIQBQSEH-FUHWJXTLSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004546099 636483477 /nfs/dbraw/zinc/48/34/77/636483477.db2.gz GONWTPYIQBQSEH-FUHWJXTLSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776322 636644621 /nfs/dbraw/zinc/64/46/21/636644621.db2.gz LMYDOSXCRXRNCH-CALCHBBNSA-N 1 3 319.493 2.075 20 30 DEEDHO C=CC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776322 636644625 /nfs/dbraw/zinc/64/46/25/636644625.db2.gz LMYDOSXCRXRNCH-CALCHBBNSA-N 1 3 319.493 2.075 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000911913801 645876784 /nfs/dbraw/zinc/87/67/84/645876784.db2.gz GSWSTNIIHFPJET-LJQANCHMSA-N 1 3 315.461 2.275 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC000992710818 647193392 /nfs/dbraw/zinc/19/33/92/647193392.db2.gz JUSKTUSCPKNYQA-GVDBMIGSSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCN1CCC[C@@H](NC(=O)c2occc2CN(C)C)[C@@H]1C ZINC000993699825 647734084 /nfs/dbraw/zinc/73/40/84/647734084.db2.gz ATBCNWSBDSPXNP-DZGCQCFKSA-N 1 3 305.422 2.110 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H](NC(=O)c2occc2CN(C)C)[C@@H]1C ZINC000993699825 647734088 /nfs/dbraw/zinc/73/40/88/647734088.db2.gz ATBCNWSBDSPXNP-DZGCQCFKSA-N 1 3 305.422 2.110 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2occc2CN(C)C)[C@@H]1C ZINC000993699825 647734090 /nfs/dbraw/zinc/73/40/90/647734090.db2.gz ATBCNWSBDSPXNP-DZGCQCFKSA-N 1 3 305.422 2.110 20 30 DEEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2CCC)C(C)(C)C1 ZINC000940785076 648941463 /nfs/dbraw/zinc/94/14/63/648941463.db2.gz HBFGFMLNZGVSJO-IAGOWNOFSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2CCC)C(C)(C)C1 ZINC000940785076 648941466 /nfs/dbraw/zinc/94/14/66/648941466.db2.gz HBFGFMLNZGVSJO-IAGOWNOFSA-N 1 3 319.493 2.101 20 30 DEEDHO N#CCCC[C@@H](N)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000827863853 649096641 /nfs/dbraw/zinc/09/66/41/649096641.db2.gz QBHKGUIPJXIFPY-QGZVFWFLSA-N 1 3 320.481 2.168 20 30 DEEDHO C=C(Cl)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000847510480 651399544 /nfs/dbraw/zinc/39/95/44/651399544.db2.gz WHJPBBBPZTVXFJ-UHFFFAOYSA-N 1 3 313.873 2.051 20 30 DEEDHO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001054192306 693875702 /nfs/dbraw/zinc/87/57/02/693875702.db2.gz USJKRABTFOKSFJ-SJLPKXTDSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001054192306 693875704 /nfs/dbraw/zinc/87/57/04/693875704.db2.gz USJKRABTFOKSFJ-SJLPKXTDSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054197908 693880030 /nfs/dbraw/zinc/88/00/30/693880030.db2.gz LNUKSHSIIQTEKC-IEBWSBKVSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054197908 693880035 /nfs/dbraw/zinc/88/00/35/693880035.db2.gz LNUKSHSIIQTEKC-IEBWSBKVSA-N 1 3 319.493 2.361 20 30 DEEDHO CC(C)(CNC(=[NH2+])NCCc1ccccc1)N1CCCCC1 ZINC000303780753 685234120 /nfs/dbraw/zinc/23/41/20/685234120.db2.gz LOZJZTVLUBBHQH-UHFFFAOYSA-N 1 3 302.466 2.398 20 30 DEEDHO CC1CCN(CC[NH+]=C(NCc2ccccc2)N(C)C)CC1 ZINC000303876438 685236824 /nfs/dbraw/zinc/23/68/24/685236824.db2.gz FATHSZMAXPQOCS-UHFFFAOYSA-N 1 3 302.466 2.426 20 30 DEEDHO C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)CN2CCC[C@H]2C)CC1 ZINC001016830421 687711729 /nfs/dbraw/zinc/71/17/29/687711729.db2.gz SCNNKNKXECMQNS-CVEARBPZSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CCNC(=O)[C@H](C)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872155966 688940622 /nfs/dbraw/zinc/94/06/22/688940622.db2.gz BPKKXIQWZKDNHG-UXLLHSPISA-N 1 3 307.482 2.297 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001033320984 689461237 /nfs/dbraw/zinc/46/12/37/689461237.db2.gz YSJGIEPJDIJPDK-MRXNPFEDSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001033320984 689461239 /nfs/dbraw/zinc/46/12/39/689461239.db2.gz YSJGIEPJDIJPDK-MRXNPFEDSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCN1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001034238930 689776427 /nfs/dbraw/zinc/77/64/27/689776427.db2.gz OYCSMMFXJOQQBN-DLBZAZTESA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCN1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034238930 689776428 /nfs/dbraw/zinc/77/64/28/689776428.db2.gz OYCSMMFXJOQQBN-DLBZAZTESA-N 1 3 307.482 2.121 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CCCC)C2)CC1 ZINC001034538863 689891267 /nfs/dbraw/zinc/89/12/67/689891267.db2.gz SYCKJLFWRYTFJI-GOSISDBHSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@H+](CCCC)C2)CC1 ZINC001034538863 689891271 /nfs/dbraw/zinc/89/12/71/689891271.db2.gz SYCKJLFWRYTFJI-GOSISDBHSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000876717497 689913601 /nfs/dbraw/zinc/91/36/01/689913601.db2.gz GPIIUOQZYAQHGT-KBPBESRZSA-N 1 3 303.878 2.329 20 30 DEEDHO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035226376 690065846 /nfs/dbraw/zinc/06/58/46/690065846.db2.gz HLRUJVAQAGWORN-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035226376 690065848 /nfs/dbraw/zinc/06/58/48/690065848.db2.gz HLRUJVAQAGWORN-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001036027448 690239026 /nfs/dbraw/zinc/23/90/26/690239026.db2.gz BGFSJSRNSGZHIV-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCN1CC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038700205 690901259 /nfs/dbraw/zinc/90/12/59/690901259.db2.gz PLXRGSJCJHVNBX-SFHVURJKSA-N 1 3 315.461 2.171 20 30 DEEDHO C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1(N(C)C)CCC1 ZINC001039280231 691074132 /nfs/dbraw/zinc/07/41/32/691074132.db2.gz JFKFWLWXYGWLII-MQVJKMGUSA-N 1 3 305.466 2.158 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040236204 691217426 /nfs/dbraw/zinc/21/74/26/691217426.db2.gz JUFXROZJWAHPSD-SFHVURJKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040236204 691217428 /nfs/dbraw/zinc/21/74/28/691217428.db2.gz JUFXROZJWAHPSD-SFHVURJKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001040380779 691239624 /nfs/dbraw/zinc/23/96/24/691239624.db2.gz UVFACTQTXHDQPI-MJGOQNOKSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001040380779 691239628 /nfs/dbraw/zinc/23/96/28/691239628.db2.gz UVFACTQTXHDQPI-MJGOQNOKSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041377354 691369068 /nfs/dbraw/zinc/36/90/68/691369068.db2.gz AZMTZZNESNNCAS-WMZOPIPTSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041377354 691369070 /nfs/dbraw/zinc/36/90/70/691369070.db2.gz AZMTZZNESNNCAS-WMZOPIPTSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049531983 692913927 /nfs/dbraw/zinc/91/39/27/692913927.db2.gz FXRWSOSMHHCCAJ-BBWFWOEESA-N 1 3 307.482 2.214 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049531983 692913928 /nfs/dbraw/zinc/91/39/28/692913928.db2.gz FXRWSOSMHHCCAJ-BBWFWOEESA-N 1 3 307.482 2.214 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001052619272 693580881 /nfs/dbraw/zinc/58/08/81/693580881.db2.gz FDNLFHFBIVAWSK-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001052619272 693580885 /nfs/dbraw/zinc/58/08/85/693580885.db2.gz FDNLFHFBIVAWSK-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]21 ZINC001332143608 1149825376 /nfs/dbraw/zinc/82/53/76/1149825376.db2.gz BOGXPGOBWNLGNY-YESZJQIVSA-N 1 3 321.509 2.367 20 30 DEEDHO C#CCN1CCC([C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001332960556 1149936608 /nfs/dbraw/zinc/93/66/08/1149936608.db2.gz VRVQMFVROGGKIS-SJORKVTESA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCN1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC001353536494 1151836891 /nfs/dbraw/zinc/83/68/91/1151836891.db2.gz ZGNAQPRSXFGPTH-PVAVHDDUSA-N 1 3 305.466 2.064 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001382359013 1153435066 /nfs/dbraw/zinc/43/50/66/1153435066.db2.gz VQOJHAQHORAALM-KBPBESRZSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CNC[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001407103642 1164976688 /nfs/dbraw/zinc/97/66/88/1164976688.db2.gz FTDXBOQEKWDQJU-GJZGRUSLSA-N 1 3 313.873 2.194 20 30 DEEDHO C=C(Cl)CNC[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001407103642 1164976693 /nfs/dbraw/zinc/97/66/93/1164976693.db2.gz FTDXBOQEKWDQJU-GJZGRUSLSA-N 1 3 313.873 2.194 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001436909034 1179298076 /nfs/dbraw/zinc/29/80/76/1179298076.db2.gz CBIFBCGOUJYRHE-IHRRRGAJSA-N 1 3 301.862 2.096 20 30 DEEDHO C#CCC[NH2+]C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C(C)(C)C ZINC001332859795 1149904995 /nfs/dbraw/zinc/90/49/95/1149904995.db2.gz KCKPMFWDYUAQGJ-IRXDYDNUSA-N 1 3 321.509 2.395 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106245921 782565748 /nfs/dbraw/zinc/56/57/48/782565748.db2.gz GABADHHIKCFECN-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705173 782871667 /nfs/dbraw/zinc/87/16/67/782871667.db2.gz VATKXKSWWOQQLG-HZPDHXFCSA-N 1 3 318.465 2.383 20 30 DEEDHO C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203524420 783002372 /nfs/dbraw/zinc/00/23/72/783002372.db2.gz VGRLONGIQOWHPN-HZPDHXFCSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206929185 776798853 /nfs/dbraw/zinc/79/88/53/776798853.db2.gz XWTVPPVIHZPTTA-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CCCCCC)C[C@H]1C ZINC001104802100 778188380 /nfs/dbraw/zinc/18/83/80/778188380.db2.gz AOYZJXVMYFXOSJ-QZTJIDSGSA-N 1 3 321.509 2.206 20 30 DEEDHO C=CCN1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001073461828 790671968 /nfs/dbraw/zinc/67/19/68/790671968.db2.gz IBZXWVMQHHDTTG-QGZVFWFLSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[NH2+][C@@H]1CCCCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001088380910 780048140 /nfs/dbraw/zinc/04/81/40/780048140.db2.gz SDRKJBXKUBDKJX-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001089732155 783395666 /nfs/dbraw/zinc/39/56/66/783395666.db2.gz NQYJTLTYASZEDD-CVEARBPZSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001089732155 783395673 /nfs/dbraw/zinc/39/56/73/783395673.db2.gz NQYJTLTYASZEDD-CVEARBPZSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085593386 783859276 /nfs/dbraw/zinc/85/92/76/783859276.db2.gz IKWNVQZULFXLIG-IRXDYDNUSA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001085593386 783859280 /nfs/dbraw/zinc/85/92/80/783859280.db2.gz IKWNVQZULFXLIG-IRXDYDNUSA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCN1C(C)C ZINC001085593386 783859284 /nfs/dbraw/zinc/85/92/84/783859284.db2.gz IKWNVQZULFXLIG-IRXDYDNUSA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCN1C(C)C ZINC001085593386 783859290 /nfs/dbraw/zinc/85/92/90/783859290.db2.gz IKWNVQZULFXLIG-IRXDYDNUSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085876157 784165934 /nfs/dbraw/zinc/16/59/34/784165934.db2.gz SQNOWHPAWLVHRO-SFHVURJKSA-N 1 3 315.461 2.471 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001008162948 785124445 /nfs/dbraw/zinc/12/44/45/785124445.db2.gz NPWBBEZLCPAZLB-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001008162948 785124448 /nfs/dbraw/zinc/12/44/48/785124448.db2.gz NPWBBEZLCPAZLB-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(CC)CC)C2 ZINC001108784703 785538242 /nfs/dbraw/zinc/53/82/42/785538242.db2.gz YHFMBGIFIODKLL-ZNMIVQPWSA-N 1 3 313.873 2.050 20 30 DEEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C ZINC001133121289 788287460 /nfs/dbraw/zinc/28/74/60/788287460.db2.gz GBHOMZNMPVSPTR-IAGOWNOFSA-N 1 3 321.509 2.062 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CC[C@H]1C ZINC001133176993 788307959 /nfs/dbraw/zinc/30/79/59/788307959.db2.gz BTMPPEHHSZNKOV-SJORKVTESA-N 1 3 309.498 2.369 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C ZINC001133275141 788345878 /nfs/dbraw/zinc/34/58/78/788345878.db2.gz PYDFZMGELREGFD-HIFRSBDPSA-N 1 3 315.889 2.155 20 30 DEEDHO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CCCCCC ZINC001135691197 789451124 /nfs/dbraw/zinc/45/11/24/789451124.db2.gz PUZFIBALZDEGFP-SJORKVTESA-N 1 3 309.498 2.395 20 30 DEEDHO C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001086907740 791845113 /nfs/dbraw/zinc/84/51/13/791845113.db2.gz AGYIOXGLHBEFJO-IAGOWNOFSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001086946277 791858249 /nfs/dbraw/zinc/85/82/49/791858249.db2.gz VDGCYDYWOJAKMJ-HNNXBMFYSA-N 1 3 316.449 2.231 20 30 DEEDHO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N(C)CC ZINC001099496805 792224041 /nfs/dbraw/zinc/22/40/41/792224041.db2.gz LSQFXHIRZBYPPA-HZMVEIRTSA-N 1 3 319.493 2.072 20 30 DEEDHO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N(C)CC ZINC001099496805 792224048 /nfs/dbraw/zinc/22/40/48/792224048.db2.gz LSQFXHIRZBYPPA-HZMVEIRTSA-N 1 3 319.493 2.072 20 30 DEEDHO C=C(C)C[NH2+]C1CC(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001100333621 792596069 /nfs/dbraw/zinc/59/60/69/792596069.db2.gz GJOSAMQIICSUFM-UHFFFAOYSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@]2(C)C1 ZINC001101365626 793134060 /nfs/dbraw/zinc/13/40/60/793134060.db2.gz AXZGHODJFMCLGW-RYRKJORJSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@]2(C)C1 ZINC001101365626 793134061 /nfs/dbraw/zinc/13/40/61/793134061.db2.gz AXZGHODJFMCLGW-RYRKJORJSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001112413482 794628342 /nfs/dbraw/zinc/62/83/42/794628342.db2.gz QABFFSOSWFIEIB-LNLFQRSKSA-N 1 3 321.509 2.367 20 30 DEEDHO C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001178360948 794908973 /nfs/dbraw/zinc/90/89/73/794908973.db2.gz SXWFLHYJAHCJCQ-YESZJQIVSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001181801191 795542329 /nfs/dbraw/zinc/54/23/29/795542329.db2.gz PKXRSVMDOAQZQL-SOLBZPMBSA-N 1 3 309.498 2.223 20 30 DEEDHO C=CC[NH2+]C1CC2(CC(NC(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001121791566 795687527 /nfs/dbraw/zinc/68/75/27/795687527.db2.gz UIQRLALSYRWEDH-UHFFFAOYSA-N 1 3 307.482 2.167 20 30 DEEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001182591688 795712702 /nfs/dbraw/zinc/71/27/02/795712702.db2.gz ZNMJEOWCMGAPMT-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001182637822 795717275 /nfs/dbraw/zinc/71/72/75/795717275.db2.gz RDHKLCHXTYODST-SOLBZPMBSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)CC[NH2+]C1CC2(CC(NC(=O)CN(C)C(C)C)C2)C1 ZINC001122249848 795739256 /nfs/dbraw/zinc/73/92/56/795739256.db2.gz ZBLAJUXHKXEFGY-UHFFFAOYSA-N 1 3 307.482 2.310 20 30 DEEDHO CC#CC[NH2+]C1CCN(C(=O)CN(C)CCCCCC)CC1 ZINC001202973618 796428608 /nfs/dbraw/zinc/42/86/08/796428608.db2.gz KYKFOCDYOIYZMQ-UHFFFAOYSA-N 1 3 307.482 2.102 20 30 DEEDHO CC#CCN(CC)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157256443 798171394 /nfs/dbraw/zinc/17/13/94/798171394.db2.gz UUUHGPFEIXXVHX-QGZVFWFLSA-N 1 3 307.482 2.102 20 30 DEEDHO C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001158646133 798442998 /nfs/dbraw/zinc/44/29/98/798442998.db2.gz GYIQAVLFUPCFPC-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001158646133 798443001 /nfs/dbraw/zinc/44/30/01/798443001.db2.gz GYIQAVLFUPCFPC-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001201067094 798707779 /nfs/dbraw/zinc/70/77/79/798707779.db2.gz WVVCKFAOLWXLCN-OAHLLOKOSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001201053746 798711328 /nfs/dbraw/zinc/71/13/28/798711328.db2.gz WGPWPIPUVQFYRN-RHSMWYFYSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCCN1CCC3)C2 ZINC001110765875 799017198 /nfs/dbraw/zinc/01/71/98/799017198.db2.gz VDVVYFONNBDLDY-ZACQAIPSSA-N 1 3 317.477 2.303 20 30 DEEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCCN1CCC3)C2 ZINC001110765875 799017221 /nfs/dbraw/zinc/01/72/21/799017221.db2.gz VDVVYFONNBDLDY-ZACQAIPSSA-N 1 3 317.477 2.303 20 30 DEEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001110995511 799816968 /nfs/dbraw/zinc/81/69/68/799816968.db2.gz YOXOJCKNKIFXPB-WCXIOVBPSA-N 1 3 307.482 2.260 20 30 DEEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001110995511 799816974 /nfs/dbraw/zinc/81/69/74/799816974.db2.gz YOXOJCKNKIFXPB-WCXIOVBPSA-N 1 3 307.482 2.260 20 30 DEEDHO C#CCC[NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203426395 800045605 /nfs/dbraw/zinc/04/56/05/800045605.db2.gz JPYIKCKIVLORMH-HOTGVXAUSA-N 1 3 319.493 2.005 20 30 DEEDHO C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203792313 800124135 /nfs/dbraw/zinc/12/41/35/800124135.db2.gz OSSASHFPWMLTIL-CVEARBPZSA-N 1 3 307.482 2.310 20 30 DEEDHO C[NH+]1CCC(C)(CN2CCN(c3ccccc3C#N)CC2)CC1 ZINC001208105050 800913158 /nfs/dbraw/zinc/91/31/58/800913158.db2.gz RNGKUVXMZVEPTA-UHFFFAOYSA-N 1 3 312.461 2.412 20 30 DEEDHO CC[NH+]1CCC(CN2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC001208600726 801024267 /nfs/dbraw/zinc/02/42/67/801024267.db2.gz URXLAXXYYQTAOH-UHFFFAOYSA-N 1 3 312.461 2.412 20 30 DEEDHO C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001229940197 801339742 /nfs/dbraw/zinc/33/97/42/801339742.db2.gz XMYLVAYOTNFBPI-HUUCEWRRSA-N 1 3 304.438 2.244 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001230618071 801437908 /nfs/dbraw/zinc/43/79/08/801437908.db2.gz JRHDKKYILVFHHT-KRWDZBQOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001230618071 801437911 /nfs/dbraw/zinc/43/79/11/801437911.db2.gz JRHDKKYILVFHHT-KRWDZBQOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[NH+]1CCC(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001223194824 802772744 /nfs/dbraw/zinc/77/27/44/802772744.db2.gz SBTHNDWXUNTXOF-UHFFFAOYSA-N 1 3 307.482 2.265 20 30 DEEDHO CC#CCN1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489237 802795571 /nfs/dbraw/zinc/79/55/71/802795571.db2.gz KRDIMRBDBNMKPN-SQNIBIBYSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001226275602 803081536 /nfs/dbraw/zinc/08/15/36/803081536.db2.gz OSQBYRJVDCLLKR-IAGOWNOFSA-N 1 3 319.493 2.291 20 30 DEEDHO C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226767761 803155381 /nfs/dbraw/zinc/15/53/81/803155381.db2.gz WFUFGGSVYOUEIZ-HZPDHXFCSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC001328099550 1148721007 /nfs/dbraw/zinc/72/10/07/1148721007.db2.gz WDRPUCWAJIJTIA-MRXNPFEDSA-N 1 3 318.465 2.444 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC001328099550 1148721012 /nfs/dbraw/zinc/72/10/12/1148721012.db2.gz WDRPUCWAJIJTIA-MRXNPFEDSA-N 1 3 318.465 2.444 20 30 DEEDHO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001331644926 1149572280 /nfs/dbraw/zinc/57/22/80/1149572280.db2.gz RTTKFFDLAGOPEO-HNNXBMFYSA-N 1 3 303.450 2.374 20 30 DEEDHO C=CCN(C)Cc1ccccc1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001501665983 1059618460 /nfs/dbraw/zinc/61/84/60/1059618460.db2.gz XUZDRPHTSVRGKB-UHFFFAOYSA-N 1 3 315.461 2.262 20 30 DEEDHO C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCCCN2C(C)C)CCC1 ZINC001502004626 1059858558 /nfs/dbraw/zinc/85/85/58/1059858558.db2.gz AFAUZZZDRWGQCK-MRXNPFEDSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCCCN2C(C)C)CCC1 ZINC001502007582 1059862983 /nfs/dbraw/zinc/86/29/83/1059862983.db2.gz YREVJCFYIMUFKR-INIZCTEOSA-N 1 3 307.482 2.454 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001480381524 1062758810 /nfs/dbraw/zinc/75/88/10/1062758810.db2.gz CTPPQZKNBMKCAO-IAGOWNOFSA-N 1 3 321.509 2.204 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001480381524 1062758825 /nfs/dbraw/zinc/75/88/25/1062758825.db2.gz CTPPQZKNBMKCAO-IAGOWNOFSA-N 1 3 321.509 2.204 20 30 DEEDHO CC#CCN[C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001507315585 1063081330 /nfs/dbraw/zinc/08/13/30/1063081330.db2.gz AXTFVKSDGNXQGX-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN[C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001507315574 1063083353 /nfs/dbraw/zinc/08/33/53/1063083353.db2.gz AXTFVKSDGNXQGX-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001480833874 1063424944 /nfs/dbraw/zinc/42/49/44/1063424944.db2.gz ZFXLMIHFLWAQFS-CABCVRRESA-N 1 3 313.873 2.051 20 30 DEEDHO C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480833874 1063424958 /nfs/dbraw/zinc/42/49/58/1063424958.db2.gz ZFXLMIHFLWAQFS-CABCVRRESA-N 1 3 313.873 2.051 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001567409685 1064186881 /nfs/dbraw/zinc/18/68/81/1064186881.db2.gz MKCVURTVJKXWOZ-INIZCTEOSA-N 1 3 309.498 2.369 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001567409685 1064186884 /nfs/dbraw/zinc/18/68/84/1064186884.db2.gz MKCVURTVJKXWOZ-INIZCTEOSA-N 1 3 309.498 2.369 20 30 DEEDHO C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001567942161 1064548554 /nfs/dbraw/zinc/54/85/54/1064548554.db2.gz LFMZYVXYXAZWGQ-IAGOWNOFSA-N 1 3 307.482 2.053 20 30 DEEDHO C=CCCC[NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001568070026 1064631675 /nfs/dbraw/zinc/63/16/75/1064631675.db2.gz QYQNZYVEPNOLCH-HNNXBMFYSA-N 1 3 304.438 2.137 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC001568117768 1064655662 /nfs/dbraw/zinc/65/56/62/1064655662.db2.gz WLDUOAPRUZMGBG-OAHLLOKOSA-N 1 3 309.841 2.177 20 30 DEEDHO C=CCC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001568139420 1064666875 /nfs/dbraw/zinc/66/68/75/1064666875.db2.gz YOZWRBIHXGTUSD-DOTOQJQBSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(Cl)CNC1(CNC(=O)C2(C[NH+](C)C)CC2)CCCC1 ZINC001495938274 1065184513 /nfs/dbraw/zinc/18/45/13/1065184513.db2.gz AOQQGXYWRXNYTH-UHFFFAOYSA-N 1 3 313.873 2.099 20 30 DEEDHO CC#CC[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CCCCC1 ZINC001496312537 1065400579 /nfs/dbraw/zinc/40/05/79/1065400579.db2.gz QWRTUVAILARGFA-KRWDZBQOSA-N 1 3 319.493 2.149 20 30 DEEDHO C=CCCCN1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001569386854 1065484304 /nfs/dbraw/zinc/48/43/04/1065484304.db2.gz WZDXBBSGTCDAPE-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001569437036 1065506356 /nfs/dbraw/zinc/50/63/56/1065506356.db2.gz OUOJPGIEQJCARB-GOSISDBHSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001569437036 1065506365 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DEEDHO C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001267459765 1078867544 /nfs/dbraw/zinc/86/75/44/1078867544.db2.gz MPORELOMBTVAGA-ROUUACIJSA-N 1 3 319.493 2.217 20 30 DEEDHO CC#CCN1CC[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001481098605 1079181181 /nfs/dbraw/zinc/18/11/81/1079181181.db2.gz CUIZCRKUUYCQKJ-INIZCTEOSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CC[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001481098605 1079181184 /nfs/dbraw/zinc/18/11/84/1079181184.db2.gz CUIZCRKUUYCQKJ-INIZCTEOSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)C[NH+]1CCC(C)(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001484137727 1079318436 /nfs/dbraw/zinc/31/84/36/1079318436.db2.gz VCHYHAUOAQUWOY-UHFFFAOYSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)CN(C)CCC)CC2 ZINC001267974263 1079657049 /nfs/dbraw/zinc/65/70/49/1079657049.db2.gz RSOFFMALPGUEGP-UHFFFAOYSA-N 1 3 307.482 2.219 20 30 DEEDHO C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)CCC)CC2 ZINC001267974263 1079657051 /nfs/dbraw/zinc/65/70/51/1079657051.db2.gz RSOFFMALPGUEGP-UHFFFAOYSA-N 1 3 307.482 2.219 20 30 DEEDHO C=C(C)CN1CC2(C1)CCN(C(=O)CCCC[NH+](C)C)CC2 ZINC001268046922 1079946005 /nfs/dbraw/zinc/94/60/05/1079946005.db2.gz PCSSOVMQGTYRGL-UHFFFAOYSA-N 1 3 307.482 2.219 20 30 DEEDHO C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001485237713 1080084208 /nfs/dbraw/zinc/08/42/08/1080084208.db2.gz UKZBEODZSMCNHF-OFLPRAFFSA-N 1 3 307.482 2.406 20 30 DEEDHO CC#CC[NH2+][C@H]1CCN(C(=O)CN(C)CCCCCC)C[C@@H]1C ZINC001268138021 1080105468 /nfs/dbraw/zinc/10/54/68/1080105468.db2.gz OSHZCOLPMIBYPA-ROUUACIJSA-N 1 3 321.509 2.348 20 30 DEEDHO C#CC[C@@H](CCOC)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001658656986 1080214735 /nfs/dbraw/zinc/21/47/35/1080214735.db2.gz UPTCRSWURMYCAB-AOCRQIFASA-N 1 3 308.466 2.038 20 30 DEEDHO C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC001660788017 1080396707 /nfs/dbraw/zinc/39/67/07/1080396707.db2.gz ZXFFQXNRLLSMOZ-AWEZNQCLSA-N 1 3 304.438 2.230 20 30 DEEDHO C=C(Cl)CNCC[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001269760305 1081358687 /nfs/dbraw/zinc/35/86/87/1081358687.db2.gz IYXDJVDRFFAIRC-OAHLLOKOSA-N 1 3 315.889 2.299 20 30 DEEDHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](CCC2CC2)CC1 ZINC001671503959 1081520261 /nfs/dbraw/zinc/52/02/61/1081520261.db2.gz IXSBSMHICDWXRO-GOSISDBHSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCN1CCC(C(=O)NCC2([NH2+]CCCCC)CCC2)CC1 ZINC001673242239 1081748590 /nfs/dbraw/zinc/74/85/90/1081748590.db2.gz URVBNVRRGKFMQE-UHFFFAOYSA-N 1 3 319.493 2.150 20 30 DEEDHO C=C(C)C[NH+]1CCC([C@H](C)NC(=O)C2(N(C)C)CCC2)CC1 ZINC001279136860 1081769788 /nfs/dbraw/zinc/76/97/88/1081769788.db2.gz NPJZSHTVVQACOP-HNNXBMFYSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001271741078 1082143438 /nfs/dbraw/zinc/14/34/38/1082143438.db2.gz WARCLNHABSKGKQ-HOCLYGCPSA-N 1 3 304.438 2.135 20 30 DEEDHO C=C(C)CN(CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001266599938 1082186056 /nfs/dbraw/zinc/18/60/56/1082186056.db2.gz CPWSWPQOQMPGRJ-QGZVFWFLSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN(CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001266599938 1082186058 /nfs/dbraw/zinc/18/60/58/1082186058.db2.gz CPWSWPQOQMPGRJ-QGZVFWFLSA-N 1 3 307.482 2.264 20 30 DEEDHO CC#CC[NH2+]C[C@@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)C ZINC001486409481 1085279634 /nfs/dbraw/zinc/27/96/34/1085279634.db2.gz HQKBPKIUFUTPTO-OAHLLOKOSA-N 1 3 309.498 2.108 20 30 DEEDHO C=CC[NH2+]C1CC2(CC(NC(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000963801545 1086562507 /nfs/dbraw/zinc/56/25/07/1086562507.db2.gz VXSWYVJDXKTRNH-UHFFFAOYSA-N 1 3 319.493 2.454 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114840421 1089027392 /nfs/dbraw/zinc/02/73/92/1089027392.db2.gz KLZMGOJWHIOXBY-CBZIJGRNSA-N 1 3 321.509 2.365 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114840421 1089027409 /nfs/dbraw/zinc/02/74/09/1089027409.db2.gz KLZMGOJWHIOXBY-CBZIJGRNSA-N 1 3 321.509 2.365 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@H]21 ZINC001084938733 1090531059 /nfs/dbraw/zinc/53/10/59/1090531059.db2.gz COBZTGRLDLQVII-SQNIBIBYSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@H]21 ZINC001084938733 1090531065 /nfs/dbraw/zinc/53/10/65/1090531065.db2.gz COBZTGRLDLQVII-SQNIBIBYSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3CCC)C[C@@H]21 ZINC001084953310 1090542199 /nfs/dbraw/zinc/54/21/99/1090542199.db2.gz BOTQFALCIXERGV-SQNIBIBYSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3CCC)C[C@@H]21 ZINC001084953310 1090542208 /nfs/dbraw/zinc/54/22/08/1090542208.db2.gz BOTQFALCIXERGV-SQNIBIBYSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[NH2+]C/C=C\CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001274369468 1091210559 /nfs/dbraw/zinc/21/05/59/1091210559.db2.gz QMNDMMPBUACVBW-ZPUOCTKUSA-N 1 3 311.445 2.037 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCCN1CC ZINC001278007992 1138419298 /nfs/dbraw/zinc/41/92/98/1138419298.db2.gz ZEKDPNSJNGAKKG-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)CC1 ZINC001316668491 1140295476 /nfs/dbraw/zinc/29/54/76/1140295476.db2.gz IDXILUHHLKEJND-QGZVFWFLSA-N 1 3 319.493 2.053 20 30 DEEDHO C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001318782884 1140414743 /nfs/dbraw/zinc/41/47/43/1140414743.db2.gz ZHNXSWIJHZSIKA-LSDHHAIUSA-N 1 3 313.873 2.051 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CC(C)C)CC(C)C)CC1 ZINC001319642317 1140634353 /nfs/dbraw/zinc/63/43/53/1140634353.db2.gz HDQCGNAKJPQKOY-GOSISDBHSA-N 1 3 321.509 2.108 20 30 DEEDHO C=CCOC(=O)N1CCC[C@]2(CCN([C@H]3CC[NH2+][C@@H](C)C3)C2)C1 ZINC001246550207 1140953406 /nfs/dbraw/zinc/95/34/06/1140953406.db2.gz MGRMNWHIRBEMGG-XYJFISCASA-N 1 3 321.465 2.237 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001323873525 1141895213 /nfs/dbraw/zinc/89/52/13/1141895213.db2.gz PEXVNAGHWISDNO-SFHVURJKSA-N 1 3 307.482 2.219 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001323873525 1141895214 /nfs/dbraw/zinc/89/52/14/1141895214.db2.gz PEXVNAGHWISDNO-SFHVURJKSA-N 1 3 307.482 2.219 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001278550619 1142078960 /nfs/dbraw/zinc/07/89/60/1142078960.db2.gz VTMQOKMEAOGMEL-SJLPKXTDSA-N 1 3 309.498 2.367 20 30 DEEDHO C#CCN1CC[NH+]([C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256556240 1143853553 /nfs/dbraw/zinc/85/35/53/1143853553.db2.gz XREDTVNVOKZOJE-AZUAARDMSA-N 1 3 311.473 2.290 20 30 DEEDHO C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)C(C)(C)C ZINC001278963067 1143866424 /nfs/dbraw/zinc/86/64/24/1143866424.db2.gz WHLYRHWQKWFQOT-JKSUJKDBSA-N 1 3 307.482 2.003 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001264682129 1144592492 /nfs/dbraw/zinc/59/24/92/1144592492.db2.gz QNWUVMIFKGNHTM-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001264751833 1144606624 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C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]CC2CCCC2)CC1 ZINC001266192570 1144812854 /nfs/dbraw/zinc/81/28/54/1144812854.db2.gz YIMHRVUCEQPGIP-INIZCTEOSA-N 1 3 319.493 2.006 20 30 DEEDHO C#CC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C(C)(C)C ZINC001284587847 1145875095 /nfs/dbraw/zinc/87/50/95/1145875095.db2.gz CAEXUPSWFXTHCT-OAHLLOKOSA-N 1 3 307.482 2.005 20 30 DEEDHO C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001316641025 1146314562 /nfs/dbraw/zinc/31/45/62/1146314562.db2.gz GUIMMRFSJGXEKY-QAETUUGQSA-N 1 3 307.482 2.310 20 30 DEEDHO C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001317045502 1147652413 /nfs/dbraw/zinc/65/24/13/1147652413.db2.gz QXWGCWLTBLULRD-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001317045502 1147652414 /nfs/dbraw/zinc/65/24/14/1147652414.db2.gz QXWGCWLTBLULRD-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001317139873 1147665579 /nfs/dbraw/zinc/66/55/79/1147665579.db2.gz LQPKWOVYJDZOSW-SJORKVTESA-N 1 3 307.482 2.123 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001317139873 1147665580 /nfs/dbraw/zinc/66/55/80/1147665580.db2.gz LQPKWOVYJDZOSW-SJORKVTESA-N 1 3 307.482 2.123 20 30 DEEDHO C=C(Cl)CNC[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001367227016 1147666278 /nfs/dbraw/zinc/66/62/78/1147666278.db2.gz FTDXBOQEKWDQJU-HUUCEWRRSA-N 1 3 313.873 2.194 20 30 DEEDHO C=C(Cl)CNC[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001367227016 1147666279 /nfs/dbraw/zinc/66/62/79/1147666279.db2.gz FTDXBOQEKWDQJU-HUUCEWRRSA-N 1 3 313.873 2.194 20 30 DEEDHO C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001317313111 1147689561 /nfs/dbraw/zinc/68/95/61/1147689561.db2.gz NPSJKUBPFFUAPT-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[NH2+][C@@H](CNC(=O)CN1CC[C@H](C)C1)c1ccccc1 ZINC001317723399 1147747328 /nfs/dbraw/zinc/74/73/28/1147747328.db2.gz GNHOHVSAXHGBFG-WMZOPIPTSA-N 1 3 315.461 2.351 20 30 DEEDHO C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001317862092 1147758665 /nfs/dbraw/zinc/75/86/65/1147758665.db2.gz GMCLROWOVRZVQC-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001317862092 1147758667 /nfs/dbraw/zinc/75/86/67/1147758667.db2.gz GMCLROWOVRZVQC-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001317862096 1147759060 /nfs/dbraw/zinc/75/90/60/1147759060.db2.gz GMCLROWOVRZVQC-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001317862096 1147759061 /nfs/dbraw/zinc/75/90/61/1147759061.db2.gz GMCLROWOVRZVQC-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001327162542 1148340498 /nfs/dbraw/zinc/34/04/98/1148340498.db2.gz JOUSXLOAXGWGNA-HNNXBMFYSA-N 1 3 304.438 2.198 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001327162542 1148340505 /nfs/dbraw/zinc/34/05/05/1148340505.db2.gz JOUSXLOAXGWGNA-HNNXBMFYSA-N 1 3 304.438 2.198 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000417057733 540164661 /nfs/dbraw/zinc/16/46/61/540164661.db2.gz CRUJRDFOQBPFGR-IXDOHACOSA-N 1 3 322.497 2.254 20 30 DEEDHO C[NH+](C)C1(CNC(=O)[C@@H](N)CCCCC#N)CCCCCC1 ZINC000594446407 358273911 /nfs/dbraw/zinc/27/39/11/358273911.db2.gz SQONOXQIRFDKKP-HNNXBMFYSA-N 1 3 308.470 2.168 20 30 DEEDHO N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[C@H](N)C3)CC2)c1 ZINC000594581095 358296967 /nfs/dbraw/zinc/29/69/67/358296967.db2.gz NMHSWKPVCSIZEF-PKOBYXMFSA-N 1 3 312.461 2.382 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)NC[C@@H]1CCCC[NH2+]1)C(C)C ZINC000669385695 540823304 /nfs/dbraw/zinc/82/33/04/540823304.db2.gz HHMHMORHGLWDIX-IRXDYDNUSA-N 1 3 322.497 2.126 20 30 DEEDHO CN(CCCC[NH+](C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000619376548 363775463 /nfs/dbraw/zinc/77/54/63/363775463.db2.gz BHDWVUVWRLELEV-QGZVFWFLSA-N 1 3 312.417 2.041 20 30 DEEDHO CN(C)CCOc1cc(C[NH2+]CC(C)(C)CCC#N)ccn1 ZINC000136232180 401963933 /nfs/dbraw/zinc/96/39/33/401963933.db2.gz CIQJJPHSBLLBSL-UHFFFAOYSA-N 1 3 304.438 2.442 20 30 DEEDHO CN(CCC(=O)Nc1sccc1C#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000152383149 402093932 /nfs/dbraw/zinc/09/39/32/402093932.db2.gz DBPDAAUMCRSEBI-CYBMUJFWSA-N 1 3 320.462 2.222 20 30 DEEDHO CN(CCC(=O)Nc1sccc1C#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152383149 402093936 /nfs/dbraw/zinc/09/39/36/402093936.db2.gz DBPDAAUMCRSEBI-CYBMUJFWSA-N 1 3 320.462 2.222 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC000126295259 402273613 /nfs/dbraw/zinc/27/36/13/402273613.db2.gz SEXMBTFGDZDKEO-SFHVURJKSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000126295259 402273618 /nfs/dbraw/zinc/27/36/18/402273618.db2.gz SEXMBTFGDZDKEO-SFHVURJKSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCOc1ccc([C@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000178521030 402507572 /nfs/dbraw/zinc/50/75/72/402507572.db2.gz JBTGPBVHTKRTDS-INIZCTEOSA-N 1 3 316.445 2.196 20 30 DEEDHO [NH2+]=C(NCCCN1CCc2ccccc2C1)Nc1ccccn1 ZINC000170913517 402541170 /nfs/dbraw/zinc/54/11/70/402541170.db2.gz RSTBGBGWGAAVKE-UHFFFAOYSA-N 1 3 309.417 2.257 20 30 DEEDHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279393429 402937810 /nfs/dbraw/zinc/93/78/10/402937810.db2.gz AADUTPGXOVQILE-RHSMWYFYSA-N 1 3 312.417 2.087 20 30 DEEDHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279393429 402937811 /nfs/dbraw/zinc/93/78/11/402937811.db2.gz AADUTPGXOVQILE-RHSMWYFYSA-N 1 3 312.417 2.087 20 30 DEEDHO CC[C@H](C)NC(=[NH2+])NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000283989131 403237134 /nfs/dbraw/zinc/23/71/34/403237134.db2.gz LWDJSUYMQDXLHS-AWEZNQCLSA-N 1 3 318.465 2.362 20 30 DEEDHO C=CCN(CC=C)C(=O)CN1CCC(CCC[NH+](C)C)CC1 ZINC000271037418 403256543 /nfs/dbraw/zinc/25/65/43/403256543.db2.gz MGOKHUMASIGSEP-UHFFFAOYSA-N 1 3 307.482 2.241 20 30 DEEDHO CC(C)N1CCN(C2CC[NH+](CCC(C)(C)C#N)CC2)CC1 ZINC000345946279 403544394 /nfs/dbraw/zinc/54/43/94/403544394.db2.gz ZNMWDONQCGVQBE-UHFFFAOYSA-N 1 3 306.498 2.417 20 30 DEEDHO C=C(C)CN(CC)C(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000370010196 404303305 /nfs/dbraw/zinc/30/33/05/404303305.db2.gz SDAUQQUACORDFO-UHFFFAOYSA-N 1 3 307.482 2.219 20 30 DEEDHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000354098770 405044195 /nfs/dbraw/zinc/04/41/95/405044195.db2.gz ZSDUUTGBCPHZGV-SFHVURJKSA-N 1 3 301.434 2.491 20 30 DEEDHO COCC1(CN[C@@H](C)c2ccc(C#N)cc2F)CC[NH2+]CC1 ZINC000423406967 405794674 /nfs/dbraw/zinc/79/46/74/405794674.db2.gz LGQYJAKTJKFGPA-ZDUSSCGKSA-N 1 3 305.397 2.364 20 30 DEEDHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000348269038 266511303 /nfs/dbraw/zinc/51/13/03/266511303.db2.gz QGZHOQPMQQGYSK-OKZBNKHCSA-N 1 3 324.428 2.230 20 30 DEEDHO C=C[C@H]1CCCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665762543 425640045 /nfs/dbraw/zinc/64/00/45/425640045.db2.gz ICFAJSDVTVYMRW-HOTGVXAUSA-N 1 3 310.486 2.009 20 30 DEEDHO C=C[C@H]1CCCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665762543 425640048 /nfs/dbraw/zinc/64/00/48/425640048.db2.gz ICFAJSDVTVYMRW-HOTGVXAUSA-N 1 3 310.486 2.009 20 30 DEEDHO C=CC[C@]1(C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)CCC[NH2+]1 ZINC000662695973 425716318 /nfs/dbraw/zinc/71/63/18/425716318.db2.gz RSJINNMWRNHOKJ-KYHPRHEASA-N 1 3 307.482 2.167 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000342766492 276891791 /nfs/dbraw/zinc/89/17/91/276891791.db2.gz VLMBJAUKKFIHEB-YESZJQIVSA-N 1 3 307.482 2.189 20 30 DEEDHO CC#CCCCC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000362299352 333046701 /nfs/dbraw/zinc/04/67/01/333046701.db2.gz HDUYRKGILQDCNB-QGZVFWFLSA-N 1 3 307.482 2.055 20 30 DEEDHO CC#CCCCC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000362299352 333046703 /nfs/dbraw/zinc/04/67/03/333046703.db2.gz HDUYRKGILQDCNB-QGZVFWFLSA-N 1 3 307.482 2.055 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@]1(CC)CCC[NH2+]1)C(C)C ZINC000134572057 341218662 /nfs/dbraw/zinc/21/86/62/341218662.db2.gz RWAPECRBTGOPHO-AEFFLSMTSA-N 1 3 307.482 2.333 20 30 DEEDHO C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)CN1CCCC1)C(C)C ZINC001378392341 1152314663 /nfs/dbraw/zinc/31/46/63/1152314663.db2.gz RMVWZIWLKANCBJ-OAHLLOKOSA-N 1 3 315.889 2.297 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001330297928 1149088245 /nfs/dbraw/zinc/08/82/45/1149088245.db2.gz RJZWNHAECIBDCZ-FJIDUMEYSA-N 1 3 319.493 2.119 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001330297928 1149088252 /nfs/dbraw/zinc/08/82/52/1149088252.db2.gz RJZWNHAECIBDCZ-FJIDUMEYSA-N 1 3 319.493 2.119 20 30 DEEDHO CC(C)N1CCN(C2CC[NH+](CCCSCC#N)CC2)CC1 ZINC000371349764 529039370 /nfs/dbraw/zinc/03/93/70/529039370.db2.gz MEXBPZOWTCFXHD-UHFFFAOYSA-N 1 3 324.538 2.124 20 30 DEEDHO CC#CCN1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947311116 625447006 /nfs/dbraw/zinc/44/70/06/625447006.db2.gz YGFKSEPNIGYPNI-IAGOWNOFSA-N 1 3 319.493 2.243 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001020865574 623161378 /nfs/dbraw/zinc/16/13/78/623161378.db2.gz KXIYWZCZEMMGBY-SHTZXODSSA-N 1 3 313.873 2.096 20 30 DEEDHO C=CC(C)(C)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000891268139 623839275 /nfs/dbraw/zinc/83/92/75/623839275.db2.gz MFJCJZXSBOXWMG-UHFFFAOYSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000891520115 624467216 /nfs/dbraw/zinc/46/72/16/624467216.db2.gz DROOUPVMQPJAPV-INIZCTEOSA-N 1 3 322.497 2.104 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCC2)CC1(C)C ZINC000996128210 633191307 /nfs/dbraw/zinc/19/13/07/633191307.db2.gz QRKSCDILTPXVBK-HNNXBMFYSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC001027985573 635169064 /nfs/dbraw/zinc/16/90/64/635169064.db2.gz LEOVVMFMFJPQAB-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC001027985573 635169066 /nfs/dbraw/zinc/16/90/66/635169066.db2.gz LEOVVMFMFJPQAB-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC000982052483 635845117 /nfs/dbraw/zinc/84/51/17/635845117.db2.gz MDJOHDWGJJSMFT-QGZVFWFLSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC000982052483 635845122 /nfs/dbraw/zinc/84/51/22/635845122.db2.gz MDJOHDWGJJSMFT-QGZVFWFLSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000982099716 635866549 /nfs/dbraw/zinc/86/65/49/635866549.db2.gz HPQAJIVCAADXJB-UHFFFAOYSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946765362 636622198 /nfs/dbraw/zinc/62/21/98/636622198.db2.gz MVQCPDOZIJNVKX-FGTMMUONSA-N 1 3 321.509 2.319 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946765362 636622202 /nfs/dbraw/zinc/62/22/02/636622202.db2.gz MVQCPDOZIJNVKX-FGTMMUONSA-N 1 3 321.509 2.319 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(CCOC)CCCCC1 ZINC000187056639 636907539 /nfs/dbraw/zinc/90/75/39/636907539.db2.gz LRYXIURUEGZPPL-MRXNPFEDSA-N 1 3 324.513 2.362 20 30 DEEDHO C=CCN(CC=C)C(=O)CN1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923503943 637218378 /nfs/dbraw/zinc/21/83/78/637218378.db2.gz RDKNORIQCRJOHD-QGZVFWFLSA-N 1 3 319.493 2.289 20 30 DEEDHO C#CCC[NH+]1CCC(NC(=O)CN(C)CCCCCC)CC1 ZINC000740737786 637900601 /nfs/dbraw/zinc/90/06/01/637900601.db2.gz WWVDKUJIHIHCGP-UHFFFAOYSA-N 1 3 307.482 2.102 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000900106273 642265822 /nfs/dbraw/zinc/26/58/22/642265822.db2.gz GQRRBMYDTFIPIY-SFHVURJKSA-N 1 3 315.461 2.448 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000819335599 647638577 /nfs/dbraw/zinc/63/85/77/647638577.db2.gz MJIBRJCUCJYPPR-INIZCTEOSA-N 1 3 321.490 2.245 20 30 DEEDHO C=C(Cl)CNC[C@@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001392764930 1157396534 /nfs/dbraw/zinc/39/65/34/1157396534.db2.gz MZNYLMYZUDGPBT-HUUCEWRRSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CNC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001392764930 1157396543 /nfs/dbraw/zinc/39/65/43/1157396543.db2.gz MZNYLMYZUDGPBT-HUUCEWRRSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CN[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001393747902 1157946592 /nfs/dbraw/zinc/94/65/92/1157946592.db2.gz KGKBJAFSEVTULN-GXTWGEPZSA-N 1 3 315.889 2.153 20 30 DEEDHO C=C(Cl)CN[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001393747902 1157946598 /nfs/dbraw/zinc/94/65/98/1157946598.db2.gz KGKBJAFSEVTULN-GXTWGEPZSA-N 1 3 315.889 2.153 20 30 DEEDHO C=C(Cl)CN[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001393747909 1157947376 /nfs/dbraw/zinc/94/73/76/1157947376.db2.gz KGKBJAFSEVTULN-OCCSQVGLSA-N 1 3 315.889 2.153 20 30 DEEDHO C=C(Cl)CN[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001393747909 1157947380 /nfs/dbraw/zinc/94/73/80/1157947380.db2.gz KGKBJAFSEVTULN-OCCSQVGLSA-N 1 3 315.889 2.153 20 30 DEEDHO C=C(Cl)CNC[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001375245631 1158399362 /nfs/dbraw/zinc/39/93/62/1158399362.db2.gz XKLCVXGLSCMNTJ-CQSZACIVSA-N 1 3 313.873 2.098 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1cc2ccccc2[nH]1 ZINC000305193766 685282648 /nfs/dbraw/zinc/28/26/48/685282648.db2.gz VRIWOOCVZRRIAP-MRXNPFEDSA-N 1 3 313.449 2.099 20 30 DEEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145865 693862055 /nfs/dbraw/zinc/86/20/55/693862055.db2.gz YZSFRZIVUYHLAM-LJQANCHMSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145865 693862057 /nfs/dbraw/zinc/86/20/57/693862057.db2.gz YZSFRZIVUYHLAM-LJQANCHMSA-N 1 3 319.493 2.361 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCOC1CCCCC1 ZINC000303791186 685235912 /nfs/dbraw/zinc/23/59/12/685235912.db2.gz XDFGNCLEFKXVLF-OAHLLOKOSA-N 1 3 310.486 2.114 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCc2ccccc21 ZINC000303909307 685240446 /nfs/dbraw/zinc/24/04/46/685240446.db2.gz 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C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001034241466 689777969 /nfs/dbraw/zinc/77/79/69/689777969.db2.gz XVZGZXVPZINEHI-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN1CCCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034479200 689866456 /nfs/dbraw/zinc/86/64/56/689866456.db2.gz UPTZFOZEGAVTPP-GOSISDBHSA-N 1 3 319.493 2.265 20 30 DEEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000876735235 689920788 /nfs/dbraw/zinc/92/07/88/689920788.db2.gz BZLIZZYKCAYZQX-IMJJTQAJSA-N 1 3 321.852 2.408 20 30 DEEDHO C=CCC[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036853989 690500145 /nfs/dbraw/zinc/50/01/45/690500145.db2.gz CHNBQLIHGPXXMF-ROUUACIJSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036853989 690500148 /nfs/dbraw/zinc/50/01/48/690500148.db2.gz CHNBQLIHGPXXMF-ROUUACIJSA-N 1 3 319.493 2.217 20 30 DEEDHO C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1CC ZINC001037855212 690624232 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DEEDHO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001045966921 692064380 /nfs/dbraw/zinc/06/43/80/692064380.db2.gz JPLWJWJRAIPCDA-HKUYNNGSSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001045966921 692064382 /nfs/dbraw/zinc/06/43/82/692064382.db2.gz JPLWJWJRAIPCDA-HKUYNNGSSA-N 1 3 319.493 2.055 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049096967 692763009 /nfs/dbraw/zinc/76/30/09/692763009.db2.gz FKPOWBJEPHHVTQ-FGTMMUONSA-N 1 3 319.493 2.216 20 30 DEEDHO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049096967 692763012 /nfs/dbraw/zinc/76/30/12/692763012.db2.gz FKPOWBJEPHHVTQ-FGTMMUONSA-N 1 3 319.493 2.216 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049702214 692968665 /nfs/dbraw/zinc/96/86/65/692968665.db2.gz FXRWSOSMHHCCAJ-IXDOHACOSA-N 1 3 307.482 2.214 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049702214 692968668 /nfs/dbraw/zinc/96/86/68/692968668.db2.gz FXRWSOSMHHCCAJ-IXDOHACOSA-N 1 3 307.482 2.214 20 30 DEEDHO C=CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001050122324 693114089 /nfs/dbraw/zinc/11/40/89/693114089.db2.gz QVDXVDBFCSUZCN-RCCFBDPRSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001050122324 693114091 /nfs/dbraw/zinc/11/40/91/693114091.db2.gz QVDXVDBFCSUZCN-RCCFBDPRSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCN1C[C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001050175291 693129905 /nfs/dbraw/zinc/12/99/05/693129905.db2.gz OLXFORUKZNHHRU-ZWKOTPCHSA-N 1 3 319.493 2.216 20 30 DEEDHO CC#CCN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052515292 693554339 /nfs/dbraw/zinc/55/43/39/693554339.db2.gz CRGPGAFDAOLIPQ-MSOLQXFVSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001052515292 693554341 /nfs/dbraw/zinc/55/43/41/693554341.db2.gz CRGPGAFDAOLIPQ-MSOLQXFVSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001052765434 693615597 /nfs/dbraw/zinc/61/55/97/693615597.db2.gz ZKBHPALONZORGS-MSOLQXFVSA-N 1 3 319.493 2.243 20 30 DEEDHO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001052765434 693615600 /nfs/dbraw/zinc/61/56/00/693615600.db2.gz ZKBHPALONZORGS-MSOLQXFVSA-N 1 3 319.493 2.243 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001052765436 693615700 /nfs/dbraw/zinc/61/57/00/693615700.db2.gz ZKBHPALONZORGS-ROUUACIJSA-N 1 3 319.493 2.243 20 30 DEEDHO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001052765436 693615702 /nfs/dbraw/zinc/61/57/02/693615702.db2.gz ZKBHPALONZORGS-ROUUACIJSA-N 1 3 319.493 2.243 20 30 DEEDHO C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC001353509224 1151835090 /nfs/dbraw/zinc/83/50/90/1151835090.db2.gz WTESBXVLMAXEGN-IAGOWNOFSA-N 1 3 303.450 2.398 20 30 DEEDHO C=CCCC[C@H](N)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC001357620506 1152318934 /nfs/dbraw/zinc/31/89/34/1152318934.db2.gz VERCKVLPTMLRLI-LBPRGKRZSA-N 1 3 308.451 2.232 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001397663406 1160388785 /nfs/dbraw/zinc/38/87/85/1160388785.db2.gz IRIKYTFIFUXGKB-HDJSIYSDSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001417798777 1167221121 /nfs/dbraw/zinc/22/11/21/1167221121.db2.gz LEODZNXFBDMGMU-SHTZXODSSA-N 1 3 313.873 2.099 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC001442470680 1182488209 /nfs/dbraw/zinc/48/82/09/1182488209.db2.gz GBAOFGUPYADVHC-UHFFFAOYSA-N 1 3 307.482 2.219 20 30 DEEDHO C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)CN(C)CCC)C2)C1 ZINC001122106207 782444966 /nfs/dbraw/zinc/44/49/66/782444966.db2.gz AEUZVAOWSVMIBF-UHFFFAOYSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001106664964 782839590 /nfs/dbraw/zinc/83/95/90/782839590.db2.gz DHMPIDYIGASHBA-BRWVUGGUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCN1CCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001073059345 790424637 /nfs/dbraw/zinc/42/46/37/790424637.db2.gz BIVVGAOXTHOLEB-UHFFFAOYSA-N 1 3 313.445 2.082 20 30 DEEDHO C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001167385373 776978841 /nfs/dbraw/zinc/97/88/41/776978841.db2.gz AKVRSKLIBABBGX-KRWDZBQOSA-N 1 3 319.493 2.149 20 30 DEEDHO CC#CCN1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087602680 779375053 /nfs/dbraw/zinc/37/50/53/779375053.db2.gz ZUBCQNKNIHKKLB-FGTMMUONSA-N 1 3 319.493 2.242 20 30 DEEDHO CC#CCN1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087602680 779375057 /nfs/dbraw/zinc/37/50/57/779375057.db2.gz ZUBCQNKNIHKKLB-FGTMMUONSA-N 1 3 319.493 2.242 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1CC ZINC001087790938 779453750 /nfs/dbraw/zinc/45/37/50/779453750.db2.gz OBQXGECNVUYBSU-ZWKOTPCHSA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@@H]2C1 ZINC001088212871 779775629 /nfs/dbraw/zinc/77/56/29/779775629.db2.gz XZSXFZHXRPQGOX-FGTMMUONSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@@H]2C1 ZINC001088212871 779775636 /nfs/dbraw/zinc/77/56/36/779775636.db2.gz XZSXFZHXRPQGOX-FGTMMUONSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001088325844 779957051 /nfs/dbraw/zinc/95/70/51/779957051.db2.gz ADERZDHAFBWLQH-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001088381853 780052336 /nfs/dbraw/zinc/05/23/36/780052336.db2.gz OMJMWXQUVXPYQE-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC001088769771 780969202 /nfs/dbraw/zinc/96/92/02/780969202.db2.gz CRDNMMIFABTJNA-QAPCUYQASA-N 1 3 315.461 2.169 20 30 DEEDHO CC(C)N1CCN(CC[NH2+][C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171186707 790915065 /nfs/dbraw/zinc/91/50/65/790915065.db2.gz YOQOSFQGMXCKQX-KRWDZBQOSA-N 1 3 314.477 2.105 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001085393855 783667833 /nfs/dbraw/zinc/66/78/33/783667833.db2.gz MYKALVGRUUIJCZ-RRFJBIMHSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001085393855 783667834 /nfs/dbraw/zinc/66/78/34/783667834.db2.gz MYKALVGRUUIJCZ-RRFJBIMHSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(C)CN1CCC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001007500163 784937665 /nfs/dbraw/zinc/93/76/65/784937665.db2.gz RAQBTQKNKWTSIP-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CN1CCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007500163 784937667 /nfs/dbraw/zinc/93/76/67/784937667.db2.gz RAQBTQKNKWTSIP-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001091267144 791074373 /nfs/dbraw/zinc/07/43/73/791074373.db2.gz AMAPFDCZYVCXHP-JCYILVPMSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCN1C(=O)CCC12CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169134213 785052190 /nfs/dbraw/zinc/05/21/90/785052190.db2.gz RIZUTIXSEIFYGO-FVQHAEBGSA-N 1 3 317.477 2.255 20 30 DEEDHO C=CCN1C(=O)CCC12CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169134213 785052198 /nfs/dbraw/zinc/05/21/98/785052198.db2.gz RIZUTIXSEIFYGO-FVQHAEBGSA-N 1 3 317.477 2.255 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001109417419 785861772 /nfs/dbraw/zinc/86/17/72/785861772.db2.gz BANNYYFKDSYNCH-YVSFHVDLSA-N 1 3 305.466 2.158 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001109417419 785861783 /nfs/dbraw/zinc/86/17/83/785861783.db2.gz BANNYYFKDSYNCH-YVSFHVDLSA-N 1 3 305.466 2.158 20 30 DEEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001109688622 785988606 /nfs/dbraw/zinc/98/86/06/785988606.db2.gz YOXOJCKNKIFXPB-LTIDMASMSA-N 1 3 307.482 2.260 20 30 DEEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001109688622 785988610 /nfs/dbraw/zinc/98/86/10/785988610.db2.gz YOXOJCKNKIFXPB-LTIDMASMSA-N 1 3 307.482 2.260 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001086712279 788610310 /nfs/dbraw/zinc/61/03/10/788610310.db2.gz YISOCNVWXVPASX-BBWFWOEESA-N 1 3 307.482 2.311 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCCC)C2)CC1 ZINC001072096010 790050943 /nfs/dbraw/zinc/05/09/43/790050943.db2.gz RYTLJSOFQCUFKP-WMZOPIPTSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCCC)C2)CC1 ZINC001072096010 790050949 /nfs/dbraw/zinc/05/09/49/790050949.db2.gz RYTLJSOFQCUFKP-WMZOPIPTSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091666531 791635897 /nfs/dbraw/zinc/63/58/97/791635897.db2.gz AYPBJIDGYWUECQ-LMMKCTJWSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091666531 791635900 /nfs/dbraw/zinc/63/59/00/791635900.db2.gz AYPBJIDGYWUECQ-LMMKCTJWSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148292899 791731475 /nfs/dbraw/zinc/73/14/75/791731475.db2.gz ZKOOVXIHTYKSTF-IRXDYDNUSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148292899 791731478 /nfs/dbraw/zinc/73/14/78/791731478.db2.gz ZKOOVXIHTYKSTF-IRXDYDNUSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001091735570 791774740 /nfs/dbraw/zinc/77/47/40/791774740.db2.gz VWTOLMCSCVTBCW-AEFFLSMTSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001091735570 791774747 /nfs/dbraw/zinc/77/47/47/791774747.db2.gz VWTOLMCSCVTBCW-AEFFLSMTSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001086946135 791858733 /nfs/dbraw/zinc/85/87/33/791858733.db2.gz QYFILVMLTIHSNU-HNNXBMFYSA-N 1 3 316.449 2.231 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091985094 791913587 /nfs/dbraw/zinc/91/35/87/791913587.db2.gz HOEGNYKMEFUXJD-LMMKCTJWSA-N 1 3 321.509 2.319 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091985094 791913590 /nfs/dbraw/zinc/91/35/90/791913590.db2.gz HOEGNYKMEFUXJD-LMMKCTJWSA-N 1 3 321.509 2.319 20 30 DEEDHO C#CC[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC001176746895 794486344 /nfs/dbraw/zinc/48/63/44/794486344.db2.gz OXWMCVQAJCGXHS-INIZCTEOSA-N 1 3 315.461 2.260 20 30 DEEDHO C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CCCCC1 ZINC001115533395 794812587 /nfs/dbraw/zinc/81/25/87/794812587.db2.gz DHGGVPLOODPAFP-INIZCTEOSA-N 1 3 307.482 2.454 20 30 DEEDHO C=C(C)C[NH2+]C1(CNC(=O)[C@H](C2CC2)N(C)C)CCCCC1 ZINC001115573006 794826535 /nfs/dbraw/zinc/82/65/35/794826535.db2.gz CWQUXPBOKFANLC-INIZCTEOSA-N 1 3 307.482 2.311 20 30 DEEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+]CCC=C)CC1 ZINC001180360363 795281920 /nfs/dbraw/zinc/28/19/20/795281920.db2.gz GLIVLEMQCQHCQB-UHFFFAOYSA-N 1 3 319.493 2.174 20 30 DEEDHO CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001120439485 795460066 /nfs/dbraw/zinc/46/00/66/795460066.db2.gz HBBISEIFFLMBHV-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001120439485 795460071 /nfs/dbraw/zinc/46/00/71/795460071.db2.gz HBBISEIFFLMBHV-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001121245466 795606644 /nfs/dbraw/zinc/60/66/44/795606644.db2.gz GCQVBGUFFYVAPD-APUKJBRXSA-N 1 3 319.493 2.310 20 30 DEEDHO C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001121707187 795676553 /nfs/dbraw/zinc/67/65/53/795676553.db2.gz DEYHHIYYKPESIS-LMBQMVEXSA-N 1 3 307.482 2.166 20 30 DEEDHO C=CCCC[NH2+]C1CC2(CC(NC(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001121774101 795685898 /nfs/dbraw/zinc/68/58/98/795685898.db2.gz YKXVVMUKAQYEHY-KZIPQDEESA-N 1 3 319.493 2.311 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001185749544 796309996 /nfs/dbraw/zinc/30/99/96/796309996.db2.gz CJMWQCZGFVMIFT-SJORKVTESA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)CN(C)C2CCC2)C12CCC2 ZINC001203026685 796511615 /nfs/dbraw/zinc/51/16/15/796511615.db2.gz AMBXPDVIJJNXQT-CVEARBPZSA-N 1 3 305.466 2.064 20 30 DEEDHO C=CCCC[NH2+]C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001203901981 798318132 /nfs/dbraw/zinc/31/81/32/798318132.db2.gz ATBJOCWJWIITTB-QGZVFWFLSA-N 1 3 307.482 2.408 20 30 DEEDHO CCN(CC)CCNC(=[NH2+])Nc1ncc(CC#N)cc1Cl ZINC001163130173 799254263 /nfs/dbraw/zinc/25/42/63/799254263.db2.gz YQOFVHJIUAKHIL-UHFFFAOYSA-N 1 3 308.817 2.079 20 30 DEEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208328339 800955543 /nfs/dbraw/zinc/95/55/43/800955543.db2.gz CQVMMISKIYLYKT-JKSUJKDBSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCCCC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220799803 802499619 /nfs/dbraw/zinc/49/96/19/802499619.db2.gz HHQMWAWQQFZRFP-FRRDWIJNSA-N 1 3 321.387 2.107 20 30 DEEDHO C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001328787696 1148835560 /nfs/dbraw/zinc/83/55/60/1148835560.db2.gz XVLCRUOQSCZICZ-IRXDYDNUSA-N 1 3 309.498 2.462 20 30 DEEDHO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001328787696 1148835562 /nfs/dbraw/zinc/83/55/62/1148835562.db2.gz XVLCRUOQSCZICZ-IRXDYDNUSA-N 1 3 309.498 2.462 20 30 DEEDHO CCCCCCC[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001501232788 1059393451 /nfs/dbraw/zinc/39/34/51/1059393451.db2.gz MOLNUQTTYFHDCW-IYBDPMFKSA-N 1 3 318.465 2.313 20 30 DEEDHO CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001501232788 1059393476 /nfs/dbraw/zinc/39/34/76/1059393476.db2.gz MOLNUQTTYFHDCW-IYBDPMFKSA-N 1 3 318.465 2.313 20 30 DEEDHO C=C(C)CC[NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1 ZINC001508142692 1063577308 /nfs/dbraw/zinc/57/73/08/1063577308.db2.gz MKVKVKTVDYMHAW-UHFFFAOYSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN1CCC[C@@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001567371420 1064167145 /nfs/dbraw/zinc/16/71/45/1064167145.db2.gz JCQJXCZKWFDSGZ-QGZVFWFLSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN1CCC[C@@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001567371420 1064167151 /nfs/dbraw/zinc/16/71/51/1064167151.db2.gz JCQJXCZKWFDSGZ-QGZVFWFLSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001567976715 1064572200 /nfs/dbraw/zinc/57/22/00/1064572200.db2.gz IWGJDOKSJWYQGK-RHSMWYFYSA-N 1 3 313.461 2.259 20 30 DEEDHO CC#CC[NH2+]C[C@@]1(NC(=O)CN(C)CCC)CCCC[C@@H]1C ZINC001568043482 1064615522 /nfs/dbraw/zinc/61/55/22/1064615522.db2.gz KWMVYZLQVUPTAH-WMZOPIPTSA-N 1 3 307.482 2.006 20 30 DEEDHO C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001568379729 1064823260 /nfs/dbraw/zinc/82/32/60/1064823260.db2.gz VKCQVXYULXAWOJ-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)N1CCCN(Cc2ccc(C)cc2)CC1 ZINC001623816159 1078210230 /nfs/dbraw/zinc/21/02/30/1078210230.db2.gz VJWRIXLYXVBIJK-UHFFFAOYSA-N 1 3 315.461 2.147 20 30 DEEDHO C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001569800434 1065723886 /nfs/dbraw/zinc/72/38/86/1065723886.db2.gz QGGFJOFZEJHONN-GOSISDBHSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001497265962 1065998723 /nfs/dbraw/zinc/99/87/23/1065998723.db2.gz BQXAGEPFWFFJST-CYBMUJFWSA-N 1 3 303.878 2.201 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001484339644 1079549707 /nfs/dbraw/zinc/54/97/07/1079549707.db2.gz YXEQGVCJCSSUFM-KBPBESRZSA-N 1 3 313.873 2.050 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)C[N@@H+](C)CC(CC)CC)CC1 ZINC001498454308 1066716824 /nfs/dbraw/zinc/71/68/24/1066716824.db2.gz BKHCKJWJDWWANE-MRXNPFEDSA-N 1 3 321.509 2.204 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)C[N@H+](C)CC(CC)CC)CC1 ZINC001498454308 1066716831 /nfs/dbraw/zinc/71/68/31/1066716831.db2.gz BKHCKJWJDWWANE-MRXNPFEDSA-N 1 3 321.509 2.204 20 30 DEEDHO C=CCCCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001571492762 1068349766 /nfs/dbraw/zinc/34/97/66/1068349766.db2.gz IMYDYVMJHCJYQE-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CC1(C)C ZINC001571565294 1068423877 /nfs/dbraw/zinc/42/38/77/1068423877.db2.gz WBWLMFQAZKSMNE-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001267459766 1078867646 /nfs/dbraw/zinc/86/76/46/1078867646.db2.gz MPORELOMBTVAGA-ZWKOTPCHSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001484124924 1079314061 /nfs/dbraw/zinc/31/40/61/1079314061.db2.gz KPBDKVHJSAIWSA-FUHWJXTLSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001566755974 1075337500 /nfs/dbraw/zinc/33/75/00/1075337500.db2.gz YCZCVGCPZPLSGE-XLAORIBOSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001566755974 1075337504 /nfs/dbraw/zinc/33/75/04/1075337504.db2.gz YCZCVGCPZPLSGE-XLAORIBOSA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCC1 ZINC001484645666 1079703106 /nfs/dbraw/zinc/70/31/06/1079703106.db2.gz SOWULUXKKKXVCH-UHFFFAOYSA-N 1 3 307.482 2.456 20 30 DEEDHO C=CCCCCC[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001484900096 1079843412 /nfs/dbraw/zinc/84/34/12/1079843412.db2.gz REXFIHCZCJWNRV-HOCLYGCPSA-N 1 3 304.438 2.135 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CC(CC)CC)CC1 ZINC001485229286 1080076868 /nfs/dbraw/zinc/07/68/68/1080076868.db2.gz IORJEZBQNOQETP-JKSUJKDBSA-N 1 3 321.509 2.251 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001661826959 1080529024 /nfs/dbraw/zinc/52/90/24/1080529024.db2.gz GSIIYVFPFPHBRR-KRWDZBQOSA-N 1 3 307.482 2.123 20 30 DEEDHO C=CCC[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)c1ccccc1 ZINC001664578545 1080928053 /nfs/dbraw/zinc/92/80/53/1080928053.db2.gz PATAJWHIEWGWFN-QGZVFWFLSA-N 1 3 315.461 2.494 20 30 DEEDHO C=CC[NH2+]C[C@@](C)(NC(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC001666027168 1081112531 /nfs/dbraw/zinc/11/25/31/1081112531.db2.gz WUNSCUKJNZZIMZ-MAUKXSAKSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CC[NH2+]C[C@](C)(NC(=O)[C@@H](C)N1CCCCCC1)C1CC1 ZINC001666027169 1081112664 /nfs/dbraw/zinc/11/26/64/1081112664.db2.gz WUNSCUKJNZZIMZ-QAPCUYQASA-N 1 3 307.482 2.311 20 30 DEEDHO C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001269621776 1081310969 /nfs/dbraw/zinc/31/09/69/1081310969.db2.gz OBWHUSJWGMXKLJ-QGZVFWFLSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001269621776 1081310973 /nfs/dbraw/zinc/31/09/73/1081310973.db2.gz OBWHUSJWGMXKLJ-QGZVFWFLSA-N 1 3 307.482 2.216 20 30 DEEDHO C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001668178847 1081324471 /nfs/dbraw/zinc/32/44/71/1081324471.db2.gz NGWHLBVPVYVKFX-LSDHHAIUSA-N 1 3 315.889 2.345 20 30 DEEDHO C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001668178847 1081324477 /nfs/dbraw/zinc/32/44/77/1081324477.db2.gz NGWHLBVPVYVKFX-LSDHHAIUSA-N 1 3 315.889 2.345 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001284770365 1081432246 /nfs/dbraw/zinc/43/22/46/1081432246.db2.gz BOOIBUZSGXVBPQ-QQFBHYJXSA-N 1 3 307.482 2.404 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001672381182 1081591029 /nfs/dbraw/zinc/59/10/29/1081591029.db2.gz MHEBPYMSSRTIMO-BRWVUGGUSA-N 1 3 309.498 2.415 20 30 DEEDHO C=CC[N@H+]1CCC[C@@](C)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001270991241 1081867983 /nfs/dbraw/zinc/86/79/83/1081867983.db2.gz MFHNALWJRFGTRN-SFHVURJKSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001270991241 1081867988 /nfs/dbraw/zinc/86/79/88/1081867988.db2.gz MFHNALWJRFGTRN-SFHVURJKSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CCN1CCC(N(CCC)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001266390210 1082015214 /nfs/dbraw/zinc/01/52/14/1082015214.db2.gz OIVIAJDIPXITCX-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCN1CCC(N(CCC)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001266390210 1082015220 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DEEDHO N#CCCC[N@@H+]1C[C@@H]2CCN(Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001277943565 1084423355 /nfs/dbraw/zinc/42/33/55/1084423355.db2.gz YWLVMQGGNJEZQZ-IYBDPMFKSA-N 1 3 314.433 2.235 20 30 DEEDHO N#CCCC[N@H+]1C[C@@H]2CCN(Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001277943565 1084423362 /nfs/dbraw/zinc/42/33/62/1084423362.db2.gz YWLVMQGGNJEZQZ-IYBDPMFKSA-N 1 3 314.433 2.235 20 30 DEEDHO N#CCCCN[C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001277944986 1084428340 /nfs/dbraw/zinc/42/83/40/1084428340.db2.gz IJWWZRDQRVKZBE-DLBZAZTESA-N 1 3 301.438 2.211 20 30 DEEDHO C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001486448236 1085319473 /nfs/dbraw/zinc/31/94/73/1085319473.db2.gz FQOBPUSRSDGQOW-DOTOQJQBSA-N 1 3 309.498 2.365 20 30 DEEDHO C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC000965345655 1085593686 /nfs/dbraw/zinc/59/36/86/1085593686.db2.gz CDKPDZVZENJRCR-APUKJBRXSA-N 1 3 319.493 2.452 20 30 DEEDHO C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961180372 1085626833 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C=CCN1CCC(NC(=O)CCCCC2CC[NH2+]CC2)CC1 ZINC001340855850 1143467267 /nfs/dbraw/zinc/46/72/67/1143467267.db2.gz XGNRWFMPVOSNLW-UHFFFAOYSA-N 1 3 307.482 2.313 20 30 DEEDHO C=CCCC[C@H]([NH3+])C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001341805039 1143715257 /nfs/dbraw/zinc/71/52/57/1143715257.db2.gz HPGZFIQBQWUJSE-ROUUACIJSA-N 1 3 315.461 2.403 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001258729460 1144036629 /nfs/dbraw/zinc/03/66/29/1144036629.db2.gz VIAXDWBFXRWYEF-INIZCTEOSA-N 1 3 317.477 2.165 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001258729460 1144036632 /nfs/dbraw/zinc/03/66/32/1144036632.db2.gz VIAXDWBFXRWYEF-INIZCTEOSA-N 1 3 317.477 2.165 20 30 DEEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)N(CC)CC)[C@H]1CC ZINC001264618927 1144579916 /nfs/dbraw/zinc/57/99/16/1144579916.db2.gz ZFTRSVLGVLUYJT-GVDBMIGSSA-N 1 3 307.482 2.099 20 30 DEEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)N(CC)CC)[C@H]1CC ZINC001264618927 1144579920 /nfs/dbraw/zinc/57/99/20/1144579920.db2.gz ZFTRSVLGVLUYJT-GVDBMIGSSA-N 1 3 307.482 2.099 20 30 DEEDHO C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001265333688 1144694918 /nfs/dbraw/zinc/69/49/18/1144694918.db2.gz BMLNRJIAOLPROC-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001265626103 1144719112 /nfs/dbraw/zinc/71/91/12/1144719112.db2.gz OCGXEQNDYXOKNT-QZTJIDSGSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001279410522 1144822197 /nfs/dbraw/zinc/82/21/97/1144822197.db2.gz ZIAUOTCASMFMJZ-FJIDUMEYSA-N 1 3 321.509 2.318 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001279410522 1144822198 /nfs/dbraw/zinc/82/21/98/1144822198.db2.gz ZIAUOTCASMFMJZ-FJIDUMEYSA-N 1 3 321.509 2.318 20 30 DEEDHO C=CC[N@H+](CC)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001316902872 1147627547 /nfs/dbraw/zinc/62/75/47/1147627547.db2.gz LSCVQRHGJPQHJY-QGZVFWFLSA-N 1 3 313.461 2.213 20 30 DEEDHO C=CC[N@@H+](CC)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001316902872 1147627548 /nfs/dbraw/zinc/62/75/48/1147627548.db2.gz LSCVQRHGJPQHJY-QGZVFWFLSA-N 1 3 313.461 2.213 20 30 DEEDHO C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001316999205 1147646900 /nfs/dbraw/zinc/64/69/00/1147646900.db2.gz SZMSZZCSWRTVDX-OAHLLOKOSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001317036567 1147651183 /nfs/dbraw/zinc/65/11/83/1147651183.db2.gz GVMCVHDIPJDUGI-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001317036567 1147651185 /nfs/dbraw/zinc/65/11/85/1147651185.db2.gz GVMCVHDIPJDUGI-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001326419824 1148096912 /nfs/dbraw/zinc/09/69/12/1148096912.db2.gz SEYBXRVBOHSWHX-DLBZAZTESA-N 1 3 309.498 2.367 20 30 DEEDHO N#Cc1ccc(CCN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000595893100 358573902 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C#CCOc1ccc([C@@H](C)NCCC[N@@H+](C)CCOC)cc1 ZINC000268840542 207006979 /nfs/dbraw/zinc/00/69/79/207006979.db2.gz UEGHSEFLYCYIEK-MRXNPFEDSA-N 1 3 304.434 2.318 20 30 DEEDHO C#CCOc1ccc([C@@H](C)NCCC[N@H+](C)CCOC)cc1 ZINC000268840542 207006982 /nfs/dbraw/zinc/00/69/82/207006982.db2.gz UEGHSEFLYCYIEK-MRXNPFEDSA-N 1 3 304.434 2.318 20 30 DEEDHO C=CCN1CCC(NC(=O)N2CC[C@@H](C[N@@H+](C)CCC)C2)CC1 ZINC000074132482 401731045 /nfs/dbraw/zinc/73/10/45/401731045.db2.gz ACQHPAFOHKFKGN-INIZCTEOSA-N 1 3 322.497 2.010 20 30 DEEDHO C=CCN1CCC(NC(=O)N2CC[C@@H](C[N@H+](C)CCC)C2)CC1 ZINC000074132482 401731048 /nfs/dbraw/zinc/73/10/48/401731048.db2.gz ACQHPAFOHKFKGN-INIZCTEOSA-N 1 3 322.497 2.010 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC000106323219 402212485 /nfs/dbraw/zinc/21/24/85/402212485.db2.gz IEZHXKDEUGEYQU-MRXNPFEDSA-N 1 3 322.497 2.058 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CC[N@H+](CCC)C2)CC1 ZINC000106323219 402212488 /nfs/dbraw/zinc/21/24/88/402212488.db2.gz IEZHXKDEUGEYQU-MRXNPFEDSA-N 1 3 322.497 2.058 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)CC1CC[NH2+]CC1)C(C)C ZINC000236655838 402371835 /nfs/dbraw/zinc/37/18/35/402371835.db2.gz NASMTGBTUKTDOF-KRWDZBQOSA-N 1 3 307.482 2.191 20 30 DEEDHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(C#N)n(C)c2)[C@H](C)C1 ZINC000191079794 402640662 /nfs/dbraw/zinc/64/06/62/402640662.db2.gz VRKIPKLVRNXTHP-QAPCUYQASA-N 1 3 318.465 2.123 20 30 DEEDHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000271910355 402885373 /nfs/dbraw/zinc/88/53/73/402885373.db2.gz XTSKFGBIVBDWQB-HNNXBMFYSA-N 1 3 305.422 2.208 20 30 DEEDHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000271910355 402885374 /nfs/dbraw/zinc/88/53/74/402885374.db2.gz XTSKFGBIVBDWQB-HNNXBMFYSA-N 1 3 305.422 2.208 20 30 DEEDHO C[NH+](C)C1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCC1 ZINC000280801602 403038441 /nfs/dbraw/zinc/03/84/41/403038441.db2.gz LVOXLGAUENGYKL-QGZVFWFLSA-N 1 3 324.428 2.231 20 30 DEEDHO CN(C)[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000332030851 403465772 /nfs/dbraw/zinc/46/57/72/403465772.db2.gz SRGABNGWZNVJCX-KRWDZBQOSA-N 1 3 314.433 2.303 20 30 DEEDHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000332030851 403465776 /nfs/dbraw/zinc/46/57/76/403465776.db2.gz SRGABNGWZNVJCX-KRWDZBQOSA-N 1 3 314.433 2.303 20 30 DEEDHO CC[N@H+](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)C ZINC000349846447 404224684 /nfs/dbraw/zinc/22/46/84/404224684.db2.gz BOTOAJMLWMBEOK-KRWDZBQOSA-N 1 3 312.417 2.087 20 30 DEEDHO CC[N@@H+](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)C ZINC000349846447 404224685 /nfs/dbraw/zinc/22/46/85/404224685.db2.gz BOTOAJMLWMBEOK-KRWDZBQOSA-N 1 3 312.417 2.087 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)C(C)C ZINC000291990199 404615875 /nfs/dbraw/zinc/61/58/75/404615875.db2.gz BBONVRPXOUZUNJ-DLBZAZTESA-N 1 3 307.482 2.333 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000357751054 404743074 /nfs/dbraw/zinc/74/30/74/404743074.db2.gz SQEFEJPLVIVAER-OAHLLOKOSA-N 1 3 310.486 2.055 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000357751054 404743076 /nfs/dbraw/zinc/74/30/76/404743076.db2.gz SQEFEJPLVIVAER-OAHLLOKOSA-N 1 3 310.486 2.055 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000358409060 404761818 /nfs/dbraw/zinc/76/18/18/404761818.db2.gz VTEVXAIDJTXXLN-UHFFFAOYSA-N 1 3 322.497 2.010 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N(C)C1CC[NH2+]CC1)C(C)C ZINC000417057954 405022422 /nfs/dbraw/zinc/02/24/22/405022422.db2.gz CUEHGTKPTUJJJB-KRWDZBQOSA-N 1 3 322.497 2.078 20 30 DEEDHO N#CCCC[C@@H](N)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000424157630 405025665 /nfs/dbraw/zinc/02/56/65/405025665.db2.gz NKBKQAVDDYFFEY-GFCCVEGCSA-N 1 3 314.311 2.124 20 30 DEEDHO C=CC[C@]1(C(=O)N[C@@H]2CCN(C3CCCCC3)C2)CCC[NH2+]1 ZINC000662877268 425754493 /nfs/dbraw/zinc/75/44/93/425754493.db2.gz HMXDOKYDBFUOPS-CRAIPNDOSA-N 1 3 305.466 2.208 20 30 DEEDHO C=CC[C@@]1(C(=O)N[C@@H]2CCN(C3CCCCC3)C2)CCC[NH2+]1 ZINC000662877271 425755418 /nfs/dbraw/zinc/75/54/18/425755418.db2.gz HMXDOKYDBFUOPS-QAPCUYQASA-N 1 3 305.466 2.208 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000417069957 277851649 /nfs/dbraw/zinc/85/16/49/277851649.db2.gz UXZZSKRUWMNHPA-IXDOHACOSA-N 1 3 322.497 2.125 20 30 DEEDHO C[C@H](CCC#N)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000411296915 533786983 /nfs/dbraw/zinc/78/69/83/533786983.db2.gz SRZGOCACODCGTA-OAHLLOKOSA-N 1 3 322.497 2.095 20 30 DEEDHO C[NH+]=C(NCc1cccs1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262494969 526386185 /nfs/dbraw/zinc/38/61/85/526386185.db2.gz WCXAKICSAAQVFV-CQSZACIVSA-N 1 3 306.479 2.384 20 30 DEEDHO C=CCC1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCC1 ZINC000190783478 527052094 /nfs/dbraw/zinc/05/20/94/527052094.db2.gz GGCPSHZGPWXHOL-UHFFFAOYSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(Cl)CN[C@@H](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001368729788 1148622235 /nfs/dbraw/zinc/62/22/35/1148622235.db2.gz YHKXTNXSEVXZKT-UONOGXRCSA-N 1 3 301.862 2.098 20 30 DEEDHO C=C(Cl)CN[C@@H](C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001368729788 1148622245 /nfs/dbraw/zinc/62/22/45/1148622245.db2.gz YHKXTNXSEVXZKT-UONOGXRCSA-N 1 3 301.862 2.098 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001379162029 1152584261 /nfs/dbraw/zinc/58/42/61/1152584261.db2.gz YXPUPMGHYIUVMT-KBPBESRZSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]21 ZINC001026359917 625352111 /nfs/dbraw/zinc/35/21/11/625352111.db2.gz HCPPSCRZXQHEIA-GVDBMIGSSA-N 1 3 319.493 2.121 20 30 DEEDHO C=CCC[NH+]1CC([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000970911650 623785766 /nfs/dbraw/zinc/78/57/66/623785766.db2.gz BAHNDWYYJYTDOG-OAHLLOKOSA-N 1 3 315.461 2.374 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001023402030 625254254 /nfs/dbraw/zinc/25/42/54/625254254.db2.gz DJMMQVGRNKAFEX-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001023402030 625254256 /nfs/dbraw/zinc/25/42/56/625254256.db2.gz DJMMQVGRNKAFEX-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCC[NH+]1CCC(CNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001001911793 635574541 /nfs/dbraw/zinc/57/45/41/635574541.db2.gz PRYOKESHZOVFOX-GOSISDBHSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC000981841423 635683429 /nfs/dbraw/zinc/68/34/29/635683429.db2.gz BZAWXNOSCFCHMR-SJORKVTESA-N 1 3 317.477 2.114 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC000981841423 635683432 /nfs/dbraw/zinc/68/34/32/635683432.db2.gz BZAWXNOSCFCHMR-SJORKVTESA-N 1 3 317.477 2.114 20 30 DEEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001028235392 635936733 /nfs/dbraw/zinc/93/67/33/635936733.db2.gz WLWMTHKJAGIUNW-QGZVFWFLSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982301508 635956651 /nfs/dbraw/zinc/95/66/51/635956651.db2.gz QJBHMMHFQUPMMM-YTQUADARSA-N 1 3 321.509 2.319 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982301508 635956652 /nfs/dbraw/zinc/95/66/52/635956652.db2.gz QJBHMMHFQUPMMM-YTQUADARSA-N 1 3 321.509 2.319 20 30 DEEDHO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)N(C)C)C[C@@]2(C)C1 ZINC000982306010 635959711 /nfs/dbraw/zinc/95/97/11/635959711.db2.gz DFPZSTZJUCKQKF-NXHRZFHOSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)N(C)C)C[C@@]2(C)C1 ZINC000982306010 635959715 /nfs/dbraw/zinc/95/97/15/635959715.db2.gz DFPZSTZJUCKQKF-NXHRZFHOSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CC[N@@H+](C)C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000985803119 639644765 /nfs/dbraw/zinc/64/47/65/639644765.db2.gz BPRXWVDHNUHMAJ-UHFFFAOYSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CC[N@H+](C)C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000985803119 639644770 /nfs/dbraw/zinc/64/47/70/639644770.db2.gz BPRXWVDHNUHMAJ-UHFFFAOYSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CCN1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990759596 641946172 /nfs/dbraw/zinc/94/61/72/641946172.db2.gz DQHUJRKLTSUDTL-UIBIWLFHSA-N 1 3 305.466 2.016 20 30 DEEDHO C=CCN1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990759596 641946176 /nfs/dbraw/zinc/94/61/76/641946176.db2.gz DQHUJRKLTSUDTL-UIBIWLFHSA-N 1 3 305.466 2.016 20 30 DEEDHO N#CCCC[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccccc1 ZINC000814658804 646917605 /nfs/dbraw/zinc/91/76/05/646917605.db2.gz IJWKFCJQKHOXDF-QZTJIDSGSA-N 1 3 301.434 2.468 20 30 DEEDHO N#CCCC[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccccc1 ZINC000814658806 646918099 /nfs/dbraw/zinc/91/80/99/646918099.db2.gz IJWKFCJQKHOXDF-ZWKOTPCHSA-N 1 3 301.434 2.468 20 30 DEEDHO CC#CCN1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000940785582 648941526 /nfs/dbraw/zinc/94/15/26/648941526.db2.gz OIHWHURKPBQCJT-IAGOWNOFSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000940785582 648941528 /nfs/dbraw/zinc/94/15/28/648941528.db2.gz OIHWHURKPBQCJT-IAGOWNOFSA-N 1 3 319.493 2.101 20 30 DEEDHO CCCCCCCCNC(=[NH2+])NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000849000023 651577704 /nfs/dbraw/zinc/57/77/04/651577704.db2.gz HCDKTTNDZJFDHT-JKSUJKDBSA-N 1 3 310.486 2.324 20 30 DEEDHO C=C(C)CN1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001015840112 687438710 /nfs/dbraw/zinc/43/87/10/687438710.db2.gz TUSFVUSLPRZJGB-KRWDZBQOSA-N 1 3 301.434 2.128 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001016319251 687590852 /nfs/dbraw/zinc/59/08/52/687590852.db2.gz ATAQLYACFWHTPF-KRWDZBQOSA-N 1 3 301.434 2.128 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001016319251 687590855 /nfs/dbraw/zinc/59/08/55/687590855.db2.gz ATAQLYACFWHTPF-KRWDZBQOSA-N 1 3 301.434 2.128 20 30 DEEDHO C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001016613884 687664542 /nfs/dbraw/zinc/66/45/42/687664542.db2.gz HWTYLKWBUQGAOX-IRXDYDNUSA-N 1 3 319.493 2.406 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001016651470 687674565 /nfs/dbraw/zinc/67/45/65/687674565.db2.gz IGLZKKIWMXQFNJ-HOTGVXAUSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001016651475 687674934 /nfs/dbraw/zinc/67/49/34/687674934.db2.gz IGLZKKIWMXQFNJ-JKSUJKDBSA-N 1 3 305.466 2.018 20 30 DEEDHO CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)[C@@H](N)CCCCC#N ZINC000867988191 687863326 /nfs/dbraw/zinc/86/33/26/687863326.db2.gz WIUMIUGLWPYDGN-DZGCQCFKSA-N 1 3 300.406 2.223 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN2CCC)C1 ZINC001033125433 689397681 /nfs/dbraw/zinc/39/76/81/689397681.db2.gz DSBPMUADQVQTRN-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN2CCC)C1 ZINC001033125433 689397685 /nfs/dbraw/zinc/39/76/85/689397685.db2.gz DSBPMUADQVQTRN-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCN1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001034367192 689825382 /nfs/dbraw/zinc/82/53/82/689825382.db2.gz FJBBVANKOFMBOI-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCN1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001034367192 689825387 /nfs/dbraw/zinc/82/53/87/689825387.db2.gz FJBBVANKOFMBOI-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000876724705 689915922 /nfs/dbraw/zinc/91/59/22/689915922.db2.gz GKGDLYFYULXAKU-UONOGXRCSA-N 1 3 301.862 2.227 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000876724705 689915924 /nfs/dbraw/zinc/91/59/24/689915924.db2.gz GKGDLYFYULXAKU-UONOGXRCSA-N 1 3 301.862 2.227 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000876765016 689930195 /nfs/dbraw/zinc/93/01/95/689930195.db2.gz YHVAAXMSWMOHTR-KGLIPLIRSA-N 1 3 315.889 2.473 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000876765016 689930201 /nfs/dbraw/zinc/93/02/01/689930201.db2.gz YHVAAXMSWMOHTR-KGLIPLIRSA-N 1 3 315.889 2.473 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000876769665 689931947 /nfs/dbraw/zinc/93/19/47/689931947.db2.gz XGLYBJXVVKRWCA-JKSUJKDBSA-N 1 3 321.852 2.237 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000876769665 689931951 /nfs/dbraw/zinc/93/19/51/689931951.db2.gz XGLYBJXVVKRWCA-JKSUJKDBSA-N 1 3 321.852 2.237 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000877120434 690023009 /nfs/dbraw/zinc/02/30/09/690023009.db2.gz ROIMEEWMYHTDAW-CVEARBPZSA-N 1 3 321.852 2.095 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000877120434 690023011 /nfs/dbraw/zinc/02/30/11/690023011.db2.gz ROIMEEWMYHTDAW-CVEARBPZSA-N 1 3 321.852 2.095 20 30 DEEDHO C=CCCN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038246097 690755814 /nfs/dbraw/zinc/75/58/14/690755814.db2.gz BOPGUIASWQRGFG-WMZOPIPTSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCCN1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038246097 690755817 /nfs/dbraw/zinc/75/58/17/690755817.db2.gz BOPGUIASWQRGFG-WMZOPIPTSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](CC)N(C)C ZINC001039294924 691076229 /nfs/dbraw/zinc/07/62/29/691076229.db2.gz VKAWJPPNBNBDGG-HMQMGEFJSA-N 1 3 307.482 2.404 20 30 DEEDHO C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CC[C@@H](C)C1 ZINC001039298431 691076694 /nfs/dbraw/zinc/07/66/94/691076694.db2.gz WOSOGQNGFKSVNG-MGNMYUMUSA-N 1 3 305.466 2.016 20 30 DEEDHO C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCCC1 ZINC001039312877 691079098 /nfs/dbraw/zinc/07/90/98/691079098.db2.gz XSQISVMIUHWQRZ-ALOPSCKCSA-N 1 3 305.466 2.160 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040240153 691218287 /nfs/dbraw/zinc/21/82/87/691218287.db2.gz CHSYFRPJJNDATP-MJGOQNOKSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040240153 691218291 /nfs/dbraw/zinc/21/82/91/691218291.db2.gz CHSYFRPJJNDATP-MJGOQNOKSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041723559 691417571 /nfs/dbraw/zinc/41/75/71/691417571.db2.gz IVSFNQNVZCNQDC-MJGOQNOKSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041723559 691417572 /nfs/dbraw/zinc/41/75/72/691417572.db2.gz IVSFNQNVZCNQDC-MJGOQNOKSA-N 1 3 319.493 2.360 20 30 DEEDHO CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001045966922 692064046 /nfs/dbraw/zinc/06/40/46/692064046.db2.gz JPLWJWJRAIPCDA-PKOBYXMFSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001045966922 692064048 /nfs/dbraw/zinc/06/40/48/692064048.db2.gz JPLWJWJRAIPCDA-PKOBYXMFSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049535235 692915422 /nfs/dbraw/zinc/91/54/22/692915422.db2.gz ZGXFRJNHUXBAJC-IKGGRYGDSA-N 1 3 307.482 2.214 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049535235 692915424 /nfs/dbraw/zinc/91/54/24/692915424.db2.gz ZGXFRJNHUXBAJC-IKGGRYGDSA-N 1 3 307.482 2.214 20 30 DEEDHO C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001050554519 693205872 /nfs/dbraw/zinc/20/58/72/693205872.db2.gz YAAOWCNNNWNYRD-KRWDZBQOSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[NH+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001050764966 693246180 /nfs/dbraw/zinc/24/61/80/693246180.db2.gz DVNUWCDOQVKLQR-CALCHBBNSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCCC[C@H](N)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC001353469115 1151832516 /nfs/dbraw/zinc/83/25/16/1151832516.db2.gz NZQCMFKXOYYAFI-INIZCTEOSA-N 1 3 305.422 2.249 20 30 DEEDHO C=C(Cl)C[NH2+]C1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001398835664 1161117225 /nfs/dbraw/zinc/11/72/25/1161117225.db2.gz GSVUAZXRSYSDPA-UHFFFAOYSA-N 1 3 313.873 2.240 20 30 DEEDHO C=C(Cl)CN[C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001400861714 1161836724 /nfs/dbraw/zinc/83/67/24/1161836724.db2.gz XEWJYVSWXGBTDU-HUUCEWRRSA-N 1 3 315.889 2.486 20 30 DEEDHO C=C(Cl)CN[C@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001400861714 1161836725 /nfs/dbraw/zinc/83/67/25/1161836725.db2.gz XEWJYVSWXGBTDU-HUUCEWRRSA-N 1 3 315.889 2.486 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001438442997 1180434318 /nfs/dbraw/zinc/43/43/18/1180434318.db2.gz GOHLWNSHGFOWSJ-RBSFLKMASA-N 1 3 315.889 2.342 20 30 DEEDHO C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001438771284 1180808344 /nfs/dbraw/zinc/80/83/44/1180808344.db2.gz PJJDFDWRATYUMZ-HUUCEWRRSA-N 1 3 315.889 2.296 20 30 DEEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001099199767 782524438 /nfs/dbraw/zinc/52/44/38/782524438.db2.gz QVKGTSOVHWCVDT-OAHLLOKOSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106246217 782566948 /nfs/dbraw/zinc/56/69/48/782566948.db2.gz IUKUBKUAJLCKPH-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001112524468 778483653 /nfs/dbraw/zinc/48/36/53/778483653.db2.gz QABFFSOSWFIEIB-SCTDSRPQSA-N 1 3 321.509 2.367 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H]1CC ZINC001087636354 779388523 /nfs/dbraw/zinc/38/85/23/779388523.db2.gz MJEGFLHFNMCVDP-BBWFWOEESA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H]1CC ZINC001087636354 779388531 /nfs/dbraw/zinc/38/85/31/779388531.db2.gz MJEGFLHFNMCVDP-BBWFWOEESA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1CC ZINC001087640817 779393212 /nfs/dbraw/zinc/39/32/12/779393212.db2.gz YMTUSOXGSQNEAB-JKSUJKDBSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1CC ZINC001087640817 779393222 /nfs/dbraw/zinc/39/32/22/779393222.db2.gz YMTUSOXGSQNEAB-JKSUJKDBSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@@H]2C1 ZINC001088212596 779775267 /nfs/dbraw/zinc/77/52/67/779775267.db2.gz BPYVODZQXQRLQU-FGTMMUONSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@@H]2C1 ZINC001088212596 779775273 /nfs/dbraw/zinc/77/52/73/779775273.db2.gz BPYVODZQXQRLQU-FGTMMUONSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001086278516 784539666 /nfs/dbraw/zinc/53/96/66/784539666.db2.gz ZIUNELBPIWCVKS-MAEOIBBWSA-N 1 3 315.461 2.422 20 30 DEEDHO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC000968882040 784635371 /nfs/dbraw/zinc/63/53/71/784635371.db2.gz FWNWMNIRZFYUHC-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC000968882040 784635378 /nfs/dbraw/zinc/63/53/78/784635378.db2.gz FWNWMNIRZFYUHC-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000968882040 784635385 /nfs/dbraw/zinc/63/53/85/784635385.db2.gz FWNWMNIRZFYUHC-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000968882040 784635393 /nfs/dbraw/zinc/63/53/93/784635393.db2.gz FWNWMNIRZFYUHC-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN1C(=O)CCC12CCN(C1CC[NH+](CC)CC1)CC2 ZINC001169250578 785114754 /nfs/dbraw/zinc/11/47/54/785114754.db2.gz QCNFJMVHLJEEDU-UHFFFAOYSA-N 1 3 305.466 2.114 20 30 DEEDHO C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)(C)C1)C2 ZINC001108765906 785532736 /nfs/dbraw/zinc/53/27/36/785532736.db2.gz UKPPGOUPOQPDEV-BBWFWOEESA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1CCC)C2 ZINC001097176978 788009103 /nfs/dbraw/zinc/00/91/03/788009103.db2.gz DRBMZIFQRMRIMW-WCXIOVBPSA-N 1 3 305.466 2.158 20 30 DEEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1CCC)C2 ZINC001097176978 788009110 /nfs/dbraw/zinc/00/91/10/788009110.db2.gz DRBMZIFQRMRIMW-WCXIOVBPSA-N 1 3 305.466 2.158 20 30 DEEDHO C=CC[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C ZINC001133123048 788288553 /nfs/dbraw/zinc/28/85/53/788288553.db2.gz XYZUPKQGHLBJRA-HOTGVXAUSA-N 1 3 309.498 2.225 20 30 DEEDHO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134370098 788900815 /nfs/dbraw/zinc/90/08/15/788900815.db2.gz XLCUVHBWPDTPNB-CVEARBPZSA-N 1 3 307.482 2.147 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC=C(C)C)CC1 ZINC001146613968 791324707 /nfs/dbraw/zinc/32/47/07/791324707.db2.gz WBBNOZYZYHLIGV-SJORKVTESA-N 1 3 319.493 2.171 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001148277660 791728413 /nfs/dbraw/zinc/72/84/13/791728413.db2.gz JZNINVPRXFCDBH-SJORKVTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001148277660 791728419 /nfs/dbraw/zinc/72/84/19/791728419.db2.gz JZNINVPRXFCDBH-SJORKVTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101400035 793145195 /nfs/dbraw/zinc/14/51/95/793145195.db2.gz DGMWPKFZUKEHFJ-AEFFLSMTSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101400035 793145198 /nfs/dbraw/zinc/14/51/98/793145198.db2.gz DGMWPKFZUKEHFJ-AEFFLSMTSA-N 1 3 307.482 2.075 20 30 DEEDHO C#CCC[NH2+]CCCC[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175295129 794169012 /nfs/dbraw/zinc/16/90/12/794169012.db2.gz BLNDGYCZZZJWIB-INIZCTEOSA-N 1 3 309.498 2.252 20 30 DEEDHO C=C(Cl)C[NH2+]CCCCCCNC(=O)C1(N(C)C)CCC1 ZINC001178688768 794975822 /nfs/dbraw/zinc/97/58/22/794975822.db2.gz MMQPIRWBLOWFRH-UHFFFAOYSA-N 1 3 315.889 2.489 20 30 DEEDHO C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H](C1CC1)N(C)C ZINC001178698507 794981023 /nfs/dbraw/zinc/98/10/23/794981023.db2.gz JPSATXHTTMLMSM-HNNXBMFYSA-N 1 3 315.889 2.345 20 30 DEEDHO C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001120402876 795453123 /nfs/dbraw/zinc/45/31/23/795453123.db2.gz SUIZCZYWNGWHJA-DLBZAZTESA-N 1 3 319.493 2.053 20 30 DEEDHO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001120402876 795453125 /nfs/dbraw/zinc/45/31/25/795453125.db2.gz SUIZCZYWNGWHJA-DLBZAZTESA-N 1 3 319.493 2.053 20 30 DEEDHO C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001181801035 795542277 /nfs/dbraw/zinc/54/22/77/795542277.db2.gz KPTIWIUCRRLDRM-SOLBZPMBSA-N 1 3 309.498 2.223 20 30 DEEDHO C=CCCC[C@H](N)C(=O)N1C[C@H](CC[NH3+])Cc2ccccc21 ZINC001122336294 795748608 /nfs/dbraw/zinc/74/86/08/795748608.db2.gz UZANXMPXZDDROA-ZBFHGGJFSA-N 1 3 301.434 2.224 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CN(CC)CC)C[C@@H]1C ZINC001185348482 796236240 /nfs/dbraw/zinc/23/62/40/796236240.db2.gz QAUBENFMIVLOPF-DZGCQCFKSA-N 1 3 315.889 2.155 20 30 DEEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001185675989 796308283 /nfs/dbraw/zinc/30/82/83/796308283.db2.gz GEFMIXRUORCCQO-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203028629 796514940 /nfs/dbraw/zinc/51/49/40/796514940.db2.gz OKNRGQRTYMZOST-CVEARBPZSA-N 1 3 319.493 2.454 20 30 DEEDHO C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001158534328 798423796 /nfs/dbraw/zinc/42/37/96/798423796.db2.gz URGRMLOSLVJRGG-MRXNPFEDSA-N 1 3 304.438 2.231 20 30 DEEDHO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001158534328 798423797 /nfs/dbraw/zinc/42/37/97/798423797.db2.gz URGRMLOSLVJRGG-MRXNPFEDSA-N 1 3 304.438 2.231 20 30 DEEDHO C=C(Cl)CNCCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001161532125 798878048 /nfs/dbraw/zinc/87/80/48/798878048.db2.gz MLCXXXMZTNZAEH-UHFFFAOYSA-N 1 3 315.889 2.488 20 30 DEEDHO C=C(Cl)CNCCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001161532125 798878054 /nfs/dbraw/zinc/87/80/54/798878054.db2.gz MLCXXXMZTNZAEH-UHFFFAOYSA-N 1 3 315.889 2.488 20 30 DEEDHO CN(C)C1(CNc2cccc3[nH]c(C#N)cc32)CC[NH+](C)CC1 ZINC001164212765 799540657 /nfs/dbraw/zinc/54/06/57/799540657.db2.gz BRLVBGPBCQOIEL-UHFFFAOYSA-N 1 3 311.433 2.477 20 30 DEEDHO C=CCC[NH2+]CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001206683579 799640612 /nfs/dbraw/zinc/64/06/12/799640612.db2.gz MDJZYTWFFZXMDL-UHFFFAOYSA-N 1 3 307.482 2.123 20 30 DEEDHO C#CC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)CCCCCC)C12CCC2 ZINC001203508300 800064668 /nfs/dbraw/zinc/06/46/68/800064668.db2.gz XKZDKLCXSHCYJT-SJORKVTESA-N 1 3 319.493 2.149 20 30 DEEDHO CSc1nc(CN2CCC[C@@H](C[NH3+])[C@H](C)C2)ccc1C#N ZINC001206003823 800456868 /nfs/dbraw/zinc/45/68/68/800456868.db2.gz MWWXTVGBENIMJF-OLZOCXBDSA-N 1 3 304.463 2.482 20 30 DEEDHO CC[NH+]1CCC(CN2CCN(c3ccccc3C#N)CC2)CC1 ZINC001208593309 801021919 /nfs/dbraw/zinc/02/19/19/801021919.db2.gz GSQXUUFZNYZYFV-UHFFFAOYSA-N 1 3 312.461 2.412 20 30 DEEDHO C=C(Cl)CN[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001209661161 801248779 /nfs/dbraw/zinc/24/87/79/801248779.db2.gz TXPNDTWVEOZBKP-AWEZNQCLSA-N 1 3 315.889 2.297 20 30 DEEDHO C=C(Cl)CN[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001209661161 801248783 /nfs/dbraw/zinc/24/87/83/801248783.db2.gz TXPNDTWVEOZBKP-AWEZNQCLSA-N 1 3 315.889 2.297 20 30 DEEDHO CC#CC[NH2+][C@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC001210181973 801347060 /nfs/dbraw/zinc/34/70/60/801347060.db2.gz HDUKCQGYZFPYLA-KRWDZBQOSA-N 1 3 307.482 2.102 20 30 DEEDHO C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001211257311 801537535 /nfs/dbraw/zinc/53/75/35/801537535.db2.gz QJOPJWYFIJBTST-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847363 801765796 /nfs/dbraw/zinc/76/57/96/801765796.db2.gz CLAORYQGCPVXJK-OWCLPIDISA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCC[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001216843171 802031844 /nfs/dbraw/zinc/03/18/44/802031844.db2.gz ZWSIGTIIXLBPBQ-CRAIPNDOSA-N 1 3 315.461 2.374 20 30 DEEDHO C#CCC[NH+]1CCC(CNC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001224739487 802899715 /nfs/dbraw/zinc/89/97/15/802899715.db2.gz NWRXHZRTRJBECI-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC001328099549 1148721163 /nfs/dbraw/zinc/72/11/63/1148721163.db2.gz WDRPUCWAJIJTIA-INIZCTEOSA-N 1 3 318.465 2.444 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC001328099549 1148721170 /nfs/dbraw/zinc/72/11/70/1148721170.db2.gz WDRPUCWAJIJTIA-INIZCTEOSA-N 1 3 318.465 2.444 20 30 DEEDHO C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCN2CCC)C1 ZINC001479687380 1061597969 /nfs/dbraw/zinc/59/79/69/1061597969.db2.gz GARYNMJUSBPHDJ-ROUUACIJSA-N 1 3 319.493 2.245 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001480361261 1062710603 /nfs/dbraw/zinc/71/06/03/1062710603.db2.gz JWPGDFBUKOSCGV-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001493850106 1063991878 /nfs/dbraw/zinc/99/18/78/1063991878.db2.gz OPXBFUULXRQLFK-DOTOQJQBSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)c1ccccc1 ZINC001567662694 1064329265 /nfs/dbraw/zinc/32/92/65/1064329265.db2.gz IWWXSQMNSAPHOX-ZWKOTPCHSA-N 1 3 315.461 2.043 20 30 DEEDHO C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001568379727 1064823552 /nfs/dbraw/zinc/82/35/52/1064823552.db2.gz VKCQVXYULXAWOJ-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[NH+]1CCC(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001495537657 1064972859 /nfs/dbraw/zinc/97/28/59/1064972859.db2.gz AOYGLODYNZEHFC-UHFFFAOYSA-N 1 3 318.465 2.445 20 30 DEEDHO C=CCN(C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001569135708 1065313058 /nfs/dbraw/zinc/31/30/58/1065313058.db2.gz ZUGVHNVLKUCEDJ-RDJZCZTQSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCN(C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001569135708 1065313076 /nfs/dbraw/zinc/31/30/76/1065313076.db2.gz ZUGVHNVLKUCEDJ-RDJZCZTQSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001496237260 1065357861 /nfs/dbraw/zinc/35/78/61/1065357861.db2.gz BDMWDJZNQMWWEA-HNNXBMFYSA-N 1 3 303.450 2.374 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001569247392 1065393478 /nfs/dbraw/zinc/39/34/78/1065393478.db2.gz NOUDERPQNGYIPI-HUUCEWRRSA-N 1 3 313.873 2.194 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001569247392 1065393487 /nfs/dbraw/zinc/39/34/87/1065393487.db2.gz NOUDERPQNGYIPI-HUUCEWRRSA-N 1 3 313.873 2.194 20 30 DEEDHO C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001498487418 1066740299 /nfs/dbraw/zinc/74/02/99/1066740299.db2.gz GHZLBVZGOYYHDQ-DLBZAZTESA-N 1 3 321.509 2.252 20 30 DEEDHO C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001499511652 1067241472 /nfs/dbraw/zinc/24/14/72/1067241472.db2.gz JWEHKAKVNBHZJV-FGTMMUONSA-N 1 3 319.493 2.195 20 30 DEEDHO N#Cc1ccc(N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)c(F)c1 ZINC001580069719 1067489205 /nfs/dbraw/zinc/48/92/05/1067489205.db2.gz FVKDKPVNSGKXNY-HNNXBMFYSA-N 1 3 316.424 2.209 20 30 DEEDHO C=CCC[NH2+]C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC001483591202 1078615017 /nfs/dbraw/zinc/61/50/17/1078615017.db2.gz AWWDICBVMUIMNF-RDJZCZTQSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001570841397 1068136120 /nfs/dbraw/zinc/13/61/20/1068136120.db2.gz LOHXUYDJXGKWBL-NVXWUHKLSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCC[NH2+]C1CCC(N(C)C(=O)C2(N(C)C)CCC2)CC1 ZINC001329230930 1148876632 /nfs/dbraw/zinc/87/66/32/1148876632.db2.gz NTRKXXUFJOUVGB-UHFFFAOYSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCN1CC[C@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001483668184 1078766794 /nfs/dbraw/zinc/76/67/94/1078766794.db2.gz SPCPRUYRWIJWIV-KRWDZBQOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCN1CC[C@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001483668184 1078766800 /nfs/dbraw/zinc/76/68/00/1078766800.db2.gz SPCPRUYRWIJWIV-KRWDZBQOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001483698693 1078818895 /nfs/dbraw/zinc/81/88/95/1078818895.db2.gz UNXWIDPFFRXESC-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(Cl)CNC[C@@H]1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001483945166 1079201838 /nfs/dbraw/zinc/20/18/38/1079201838.db2.gz PHGLQIARUHITLK-AWEZNQCLSA-N 1 3 315.889 2.297 20 30 DEEDHO C=C(Cl)CNC[C@@H]1CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001483945166 1079201844 /nfs/dbraw/zinc/20/18/44/1079201844.db2.gz PHGLQIARUHITLK-AWEZNQCLSA-N 1 3 315.889 2.297 20 30 DEEDHO C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001565872231 1075060925 /nfs/dbraw/zinc/06/09/25/1075060925.db2.gz JNLSEEUTQJXTER-QAETUUGQSA-N 1 3 307.482 2.167 20 30 DEEDHO CC#CCN(CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001566601057 1075293731 /nfs/dbraw/zinc/29/37/31/1075293731.db2.gz VIFSBCXYYOFHFJ-SJLPKXTDSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001481510582 1079973045 /nfs/dbraw/zinc/97/30/45/1079973045.db2.gz YZYOTECHKBCPSK-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001481510582 1079973064 /nfs/dbraw/zinc/97/30/64/1079973064.db2.gz YZYOTECHKBCPSK-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001485658441 1080351016 /nfs/dbraw/zinc/35/10/16/1080351016.db2.gz VGSUCCZDRJIQAE-YESZJQIVSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001485658441 1080351024 /nfs/dbraw/zinc/35/10/24/1080351024.db2.gz VGSUCCZDRJIQAE-YESZJQIVSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001661236039 1080462257 /nfs/dbraw/zinc/46/22/57/1080462257.db2.gz SCLYJKFRMZSWSP-IRXDYDNUSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001661236039 1080462260 /nfs/dbraw/zinc/46/22/60/1080462260.db2.gz SCLYJKFRMZSWSP-IRXDYDNUSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001661740385 1080516592 /nfs/dbraw/zinc/51/65/92/1080516592.db2.gz ZGILHHAUDJMUOB-MRXNPFEDSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001661740385 1080516597 /nfs/dbraw/zinc/51/65/97/1080516597.db2.gz ZGILHHAUDJMUOB-MRXNPFEDSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CCC[NH2+]C[C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001666619628 1081167595 /nfs/dbraw/zinc/16/75/95/1081167595.db2.gz HJZQAYZMQZCNLF-YOEHRIQHSA-N 1 3 313.461 2.117 20 30 DEEDHO C=CCCCN1CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001269326913 1081213793 /nfs/dbraw/zinc/21/37/93/1081213793.db2.gz OWBZEHDNOXKCSY-KRWDZBQOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H](NC(=O)Cc1nc[nH]c1C)C1CCCCC1 ZINC001667150385 1081215861 /nfs/dbraw/zinc/21/58/61/1081215861.db2.gz FCDDEQZDJMRAOK-QGZVFWFLSA-N 1 3 318.465 2.491 20 30 DEEDHO C=CC[N@@H+](C)CCC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001667421011 1081249944 /nfs/dbraw/zinc/24/99/44/1081249944.db2.gz JCOSDFOOWARYRJ-INIZCTEOSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CC[N@H+](C)CCC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001667421011 1081249950 /nfs/dbraw/zinc/24/99/50/1081249950.db2.gz JCOSDFOOWARYRJ-INIZCTEOSA-N 1 3 307.482 2.075 20 30 DEEDHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](CCCC)CC1 ZINC001270321638 1081500873 /nfs/dbraw/zinc/50/08/73/1081500873.db2.gz XYOPBDDFBZEOKC-QGZVFWFLSA-N 1 3 307.482 2.053 20 30 DEEDHO C=CCCC[NH2+]CC1CC(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001674542592 1081888655 /nfs/dbraw/zinc/88/86/55/1081888655.db2.gz XKKXKKYXFVUCNU-OFLPRAFFSA-N 1 3 307.482 2.310 20 30 DEEDHO C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001266466393 1082055080 /nfs/dbraw/zinc/05/50/80/1082055080.db2.gz NYMUGPZSJHDMCH-MSOLQXFVSA-N 1 3 321.509 2.465 20 30 DEEDHO C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001266466393 1082055089 /nfs/dbraw/zinc/05/50/89/1082055089.db2.gz NYMUGPZSJHDMCH-MSOLQXFVSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001271665636 1082104759 /nfs/dbraw/zinc/10/47/59/1082104759.db2.gz MAIYQSVJOZDENU-SJORKVTESA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)[C@@H]1CC=C(CN2CC3(CN(CC[NH+](C)C)C3)C2)CC1 ZINC001276478054 1083462947 /nfs/dbraw/zinc/46/29/47/1083462947.db2.gz VQIFNROIUCVNLR-GOSISDBHSA-N 1 3 303.494 2.468 20 30 DEEDHO C=CCC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001276589020 1083502972 /nfs/dbraw/zinc/50/29/72/1083502972.db2.gz MHUPUMBRJKXFEC-MRXNPFEDSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)CN1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001276382060 1083767948 /nfs/dbraw/zinc/76/79/48/1083767948.db2.gz RZGKRCICWIUBIF-HNNXBMFYSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001670919467 1084144075 /nfs/dbraw/zinc/14/40/75/1084144075.db2.gz ULYGGTPCLBFJPM-KRWDZBQOSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001670919467 1084144080 /nfs/dbraw/zinc/14/40/80/1084144080.db2.gz ULYGGTPCLBFJPM-KRWDZBQOSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CCC[N@H+]1CC=C(CNC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001486521047 1085404510 /nfs/dbraw/zinc/40/45/10/1085404510.db2.gz NIDSLNNUIXLIOZ-HZPDHXFCSA-N 1 3 305.466 2.184 20 30 DEEDHO C=CCC[N@@H+]1CC=C(CNC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001486521047 1085404516 /nfs/dbraw/zinc/40/45/16/1085404516.db2.gz NIDSLNNUIXLIOZ-HZPDHXFCSA-N 1 3 305.466 2.184 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC000961956510 1085920066 /nfs/dbraw/zinc/92/00/66/1085920066.db2.gz JAFRXGXOJILUKB-BDXSIMOUSA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC000961956510 1085920073 /nfs/dbraw/zinc/92/00/73/1085920073.db2.gz JAFRXGXOJILUKB-BDXSIMOUSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963315768 1086405346 /nfs/dbraw/zinc/40/53/46/1086405346.db2.gz YMKRXIRCSFUKBP-DLBZAZTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963315768 1086405348 /nfs/dbraw/zinc/40/53/48/1086405348.db2.gz YMKRXIRCSFUKBP-DLBZAZTESA-N 1 3 319.493 2.360 20 30 DEEDHO CC#CC[NH+]1CCC2(CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC000957606101 1088452155 /nfs/dbraw/zinc/45/21/55/1088452155.db2.gz ZOZMZCMAQHXLLA-KRWDZBQOSA-N 1 3 319.493 2.055 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001084339893 1090271711 /nfs/dbraw/zinc/27/17/11/1090271711.db2.gz MLELFLUIPHQONU-KZNAEPCWSA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001084339893 1090271719 /nfs/dbraw/zinc/27/17/19/1090271719.db2.gz MLELFLUIPHQONU-KZNAEPCWSA-N 1 3 319.493 2.358 20 30 DEEDHO CC#CC[NH2+][C@H]1CCCCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001489238846 1093000222 /nfs/dbraw/zinc/00/02/22/1093000222.db2.gz PSFRFUJLMJHPRY-KRWDZBQOSA-N 1 3 321.509 2.348 20 30 DEEDHO C#CC[NH2+]C[C@@]1(NC(=O)CN(C)CC(C)(C)C)CCCC[C@@H]1C ZINC001495320229 1093159360 /nfs/dbraw/zinc/15/93/60/1093159360.db2.gz JOSUHCSDIJESOL-LPHOPBHVSA-N 1 3 321.509 2.252 20 30 DEEDHO C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001318851594 1140436905 /nfs/dbraw/zinc/43/69/05/1140436905.db2.gz TXMZJOHSUVBJTC-DLBZAZTESA-N 1 3 309.498 2.367 20 30 DEEDHO C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CCN1 ZINC001246361588 1140888003 /nfs/dbraw/zinc/88/80/03/1140888003.db2.gz LLPAYMWSCVQWCU-KXBFYZLASA-N 1 3 312.461 2.253 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)CCC)C[C@@H]21 ZINC001278495862 1141646743 /nfs/dbraw/zinc/64/67/43/1141646743.db2.gz WLOCNCWWNXEDAQ-YESZJQIVSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[C@@H](O)C[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001252620281 1142793078 /nfs/dbraw/zinc/79/30/78/1142793078.db2.gz SULNJHAPEURMNL-GOSISDBHSA-N 1 3 303.450 2.210 20 30 DEEDHO C=CCN1CCC(NC(=O)N2CCC([NH+](CC)CC)CC2)CC1 ZINC001338672641 1142869989 /nfs/dbraw/zinc/86/99/89/1142869989.db2.gz UESYEDRIVHJJOI-UHFFFAOYSA-N 1 3 322.497 2.153 20 30 DEEDHO C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001341731499 1143685550 /nfs/dbraw/zinc/68/55/50/1143685550.db2.gz BVSVBUHUBWNTQR-RYQLBKOJSA-N 1 3 315.461 2.307 20 30 DEEDHO C=CCO[C@H]1CO[C@@]2(C1)CCCN(C1CC[NH+](C3CC3)CC1)C2 ZINC001256077711 1143828561 /nfs/dbraw/zinc/82/85/61/1143828561.db2.gz HRHGFBFRFLNCGI-RTBURBONSA-N 1 3 320.477 2.439 20 30 DEEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001264751905 1144606902 /nfs/dbraw/zinc/60/69/02/1144606902.db2.gz QVORBOSKHOUHFI-MRXNPFEDSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001264751905 1144606907 /nfs/dbraw/zinc/60/69/07/1144606907.db2.gz QVORBOSKHOUHFI-MRXNPFEDSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001265526392 1144709103 /nfs/dbraw/zinc/70/91/03/1144709103.db2.gz ZOPTVIPJJLPEPN-MSOLQXFVSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001265526392 1144709106 /nfs/dbraw/zinc/70/91/06/1144709106.db2.gz ZOPTVIPJJLPEPN-MSOLQXFVSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001265696632 1144729738 /nfs/dbraw/zinc/72/97/38/1144729738.db2.gz JGDULFMPUSUUAJ-ZWKOTPCHSA-N 1 3 319.493 2.197 20 30 DEEDHO CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001265696632 1144729739 /nfs/dbraw/zinc/72/97/39/1144729739.db2.gz JGDULFMPUSUUAJ-ZWKOTPCHSA-N 1 3 319.493 2.197 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001279396284 1144821876 /nfs/dbraw/zinc/82/18/76/1144821876.db2.gz RZXQPOSTUHCFCW-XDNAFOTISA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001279396284 1144821877 /nfs/dbraw/zinc/82/18/77/1144821877.db2.gz RZXQPOSTUHCFCW-XDNAFOTISA-N 1 3 319.493 2.073 20 30 DEEDHO C=CC[NH+]1CCC([C@H](C)NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001284723674 1145895508 /nfs/dbraw/zinc/89/55/08/1145895508.db2.gz PGAOGWSDDFDYOD-HNNXBMFYSA-N 1 3 309.498 2.367 20 30 DEEDHO CC#CCN(C)[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001491966557 1147024599 /nfs/dbraw/zinc/02/45/99/1147024599.db2.gz GGIVOZWUNTVSSI-GOSISDBHSA-N 1 3 319.493 2.199 20 30 DEEDHO C#CCC[NH+]1CCC(N(CCC)C(=O)CN2CC[C@H](C)C2)CC1 ZINC001317005828 1147578515 /nfs/dbraw/zinc/57/85/15/1147578515.db2.gz LLJTVOXJYIZXTA-KRWDZBQOSA-N 1 3 319.493 2.055 20 30 DEEDHO C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)CN(C)C2CCC2)CC1 ZINC001316997094 1147646616 /nfs/dbraw/zinc/64/66/16/1147646616.db2.gz BZAVEIJITNDERV-MRXNPFEDSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CCN[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC001317720384 1147747020 /nfs/dbraw/zinc/74/70/20/1147747020.db2.gz DNYMDXOCXFGXGF-SJORKVTESA-N 1 3 303.450 2.206 20 30 DEEDHO C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001326529283 1148131374 /nfs/dbraw/zinc/13/13/74/1148131374.db2.gz GOZDBMVXZVESOR-QAQDUYKDSA-N 1 3 319.493 2.149 20 30 DEEDHO CC#CCNC1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CCC1 ZINC001326859579 1148272627 /nfs/dbraw/zinc/27/26/27/1148272627.db2.gz MNLQYAGMZRMDGA-UHFFFAOYSA-N 1 3 319.493 2.150 20 30 DEEDHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000181500929 356083853 /nfs/dbraw/zinc/08/38/53/356083853.db2.gz XMKIEHLZOZNWER-HOTGVXAUSA-N 1 3 300.450 2.235 20 30 DEEDHO N#CC[C@H]1CCCN(CCOCC[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000595620391 358503767 /nfs/dbraw/zinc/50/37/67/358503767.db2.gz NBECQWXKIXTPJG-QZTJIDSGSA-N 1 3 318.465 2.254 20 30 DEEDHO N#CC[C@H]1CCCN(CCOCC[N@H+]2CCC[C@H](CC#N)C2)C1 ZINC000595620391 358503772 /nfs/dbraw/zinc/50/37/72/358503772.db2.gz NBECQWXKIXTPJG-QZTJIDSGSA-N 1 3 318.465 2.254 20 30 DEEDHO N#Cc1ccc(N2CCC([NH2+][C@H]3CCCC[C@@H]3CN)CC2)nc1 ZINC000591570864 357737085 /nfs/dbraw/zinc/73/70/85/357737085.db2.gz XUMYRZSCYPLSFH-WBVHZDCISA-N 1 3 313.449 2.029 20 30 DEEDHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000597925868 359044574 /nfs/dbraw/zinc/04/45/74/359044574.db2.gz XMYOYZGIQWGKJQ-DLBZAZTESA-N 1 3 324.428 2.230 20 30 DEEDHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000597925868 359044577 /nfs/dbraw/zinc/04/45/77/359044577.db2.gz XMYOYZGIQWGKJQ-DLBZAZTESA-N 1 3 324.428 2.230 20 30 DEEDHO C#CCN1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001328254737 1148755604 /nfs/dbraw/zinc/75/56/04/1148755604.db2.gz GACBPTHCUNBZSX-HZPDHXFCSA-N 1 3 319.493 2.242 20 30 DEEDHO C#CCN1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001328254737 1148755612 /nfs/dbraw/zinc/75/56/12/1148755612.db2.gz GACBPTHCUNBZSX-HZPDHXFCSA-N 1 3 319.493 2.242 20 30 DEEDHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000619423548 363789714 /nfs/dbraw/zinc/78/97/14/363789714.db2.gz INTFOTGLDDYIJB-QZTJIDSGSA-N 1 3 324.428 2.230 20 30 DEEDHO N#Cc1ccc2c(c1)CCC[C@H]2NCCC[NH+]1CCC(O)CC1 ZINC000611391530 361589270 /nfs/dbraw/zinc/58/92/70/361589270.db2.gz MKUBXMXAFKMCIH-LJQANCHMSA-N 1 3 313.445 2.372 20 30 DEEDHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000458238528 248223182 /nfs/dbraw/zinc/22/31/82/248223182.db2.gz ZYOQZFBKKZQVCQ-ROUUACIJSA-N 1 3 324.428 2.089 20 30 DEEDHO C[N@H+]1CCC[C@@H](CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000458238528 248223188 /nfs/dbraw/zinc/22/31/88/248223188.db2.gz ZYOQZFBKKZQVCQ-ROUUACIJSA-N 1 3 324.428 2.089 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000111495932 401717256 /nfs/dbraw/zinc/71/72/56/401717256.db2.gz YIDXNIRKKKIGNR-KRWDZBQOSA-N 1 3 322.497 2.201 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000111495932 401717258 /nfs/dbraw/zinc/71/72/58/401717258.db2.gz YIDXNIRKKKIGNR-KRWDZBQOSA-N 1 3 322.497 2.201 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)C(C)C ZINC000236662442 402372363 /nfs/dbraw/zinc/37/23/63/402372363.db2.gz HIMOSHODQBGTOE-IRXDYDNUSA-N 1 3 319.493 2.191 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc2[nH]c(C)cc2c1 ZINC000285153461 403278657 /nfs/dbraw/zinc/27/86/57/403278657.db2.gz RYRMSSTVCJRYME-MRXNPFEDSA-N 1 3 313.449 2.365 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000292408171 403359836 /nfs/dbraw/zinc/35/98/36/403359836.db2.gz YECOBWLVOIAYGC-XIRDDKMYSA-N 1 3 318.440 2.460 20 30 DEEDHO CC(C)N1CCN(C2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC000339057958 403338905 /nfs/dbraw/zinc/33/89/05/403338905.db2.gz JSKMHFFUGHIUGQ-AEFFLSMTSA-N 1 3 304.482 2.169 20 30 DEEDHO COC1([C@@H](C)NCC#CC[NH2+][C@@H](C)C2(OC)CCC2)CCC1 ZINC000412029598 404065705 /nfs/dbraw/zinc/06/57/05/404065705.db2.gz YNDRQJAZMRDIDZ-IYBDPMFKSA-N 1 3 308.466 2.084 20 30 DEEDHO COC1([C@@H](C)[NH2+]CC#CCN[C@@H](C)C2(OC)CCC2)CCC1 ZINC000412029598 404065715 /nfs/dbraw/zinc/06/57/15/404065715.db2.gz YNDRQJAZMRDIDZ-IYBDPMFKSA-N 1 3 308.466 2.084 20 30 DEEDHO CC[N@H+](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)C ZINC000349846453 404224664 /nfs/dbraw/zinc/22/46/64/404224664.db2.gz BOTOAJMLWMBEOK-QGZVFWFLSA-N 1 3 312.417 2.087 20 30 DEEDHO CC[N@@H+](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)C ZINC000349846453 404224666 /nfs/dbraw/zinc/22/46/66/404224666.db2.gz BOTOAJMLWMBEOK-QGZVFWFLSA-N 1 3 312.417 2.087 20 30 DEEDHO C[C@H]1CSCCN(CC#CC[N@@H+]2CCSC[C@H](C)C2)C1 ZINC000342127170 404385235 /nfs/dbraw/zinc/38/52/35/404385235.db2.gz LRIPNMMJESEFSO-HZPDHXFCSA-N 1 3 312.548 2.360 20 30 DEEDHO C[C@H]1CSCCN(CC#CC[N@H+]2CCSC[C@H](C)C2)C1 ZINC000342127170 404385242 /nfs/dbraw/zinc/38/52/42/404385242.db2.gz LRIPNMMJESEFSO-HZPDHXFCSA-N 1 3 312.548 2.360 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)C(C)C ZINC000417073593 405027295 /nfs/dbraw/zinc/02/72/95/405027295.db2.gz YFSASWCPQRQBHF-GVDBMIGSSA-N 1 3 322.497 2.064 20 30 DEEDHO C=C(C)CCNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000459003093 405686738 /nfs/dbraw/zinc/68/67/38/405686738.db2.gz OJEZJTJBXSTRIW-MRXNPFEDSA-N 1 3 310.486 2.010 20 30 DEEDHO C=C(C)CCNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000459003093 405686746 /nfs/dbraw/zinc/68/67/46/405686746.db2.gz OJEZJTJBXSTRIW-MRXNPFEDSA-N 1 3 310.486 2.010 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)CC(C)(C)[NH3+])C(C)C ZINC000659436707 425602376 /nfs/dbraw/zinc/60/23/76/425602376.db2.gz PLMPMILAIRTYTG-OAHLLOKOSA-N 1 3 310.486 2.064 20 30 DEEDHO C=CC[C@@]1(C(=O)NC[C@H](c2ccccc2)N(C)C)CCC[NH2+]1 ZINC000662661882 425705595 /nfs/dbraw/zinc/70/55/95/425705595.db2.gz WIYSMTAGEWAMRE-AEFFLSMTSA-N 1 3 301.434 2.104 20 30 DEEDHO C=CC[C@]1(C(=O)NC[C@H](c2ccccc2)N(C)C)CCC[NH2+]1 ZINC000662661884 425706935 /nfs/dbraw/zinc/70/69/35/425706935.db2.gz WIYSMTAGEWAMRE-SJLPKXTDSA-N 1 3 301.434 2.104 20 30 DEEDHO C=CC[NH2+]C1(CC)CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001327488466 1148566550 /nfs/dbraw/zinc/56/65/50/1148566550.db2.gz IREGZDXFVPIVAV-UHFFFAOYSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCN(C)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000294869019 526827783 /nfs/dbraw/zinc/82/77/83/526827783.db2.gz CONRVJMEGXCPIX-AZUAARDMSA-N 1 3 313.489 2.442 20 30 DEEDHO C#Cc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000377656266 527433098 /nfs/dbraw/zinc/43/30/98/527433098.db2.gz RVDMMUDUVNPGRY-XLIONFOSSA-N 1 3 311.473 2.126 20 30 DEEDHO C#Cc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000377656266 527433103 /nfs/dbraw/zinc/43/31/03/527433103.db2.gz RVDMMUDUVNPGRY-XLIONFOSSA-N 1 3 311.473 2.126 20 30 DEEDHO C#Cc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000377656266 527433108 /nfs/dbraw/zinc/43/31/08/527433108.db2.gz RVDMMUDUVNPGRY-XLIONFOSSA-N 1 3 311.473 2.126 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC(C)C)cc1 ZINC000264084328 529101499 /nfs/dbraw/zinc/10/14/99/529101499.db2.gz JETITODGKCHTQX-INIZCTEOSA-N 1 3 318.465 2.362 20 30 DEEDHO CCN1CCN(CCCC[NH2+]Cc2ccc(C#N)c(C)c2)CC1 ZINC000443973929 529143875 /nfs/dbraw/zinc/14/38/75/529143875.db2.gz QWACXHZPWNWPDM-UHFFFAOYSA-N 1 3 314.477 2.374 20 30 DEEDHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000346146112 535730551 /nfs/dbraw/zinc/73/05/51/535730551.db2.gz VPRAZFUELLMUFZ-GJZGRUSLSA-N 1 3 318.440 2.374 20 30 DEEDHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000346146104 535741122 /nfs/dbraw/zinc/74/11/22/535741122.db2.gz VPRAZFUELLMUFZ-CABCVRRESA-N 1 3 318.440 2.374 20 30 DEEDHO C=CC[N@H+]1CCC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023761796 625427667 /nfs/dbraw/zinc/42/76/67/625427667.db2.gz JMQZXVFMKPPSDA-QGZVFWFLSA-N 1 3 315.461 2.376 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023761796 625427669 /nfs/dbraw/zinc/42/76/69/625427669.db2.gz JMQZXVFMKPPSDA-QGZVFWFLSA-N 1 3 315.461 2.376 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679938 623948910 /nfs/dbraw/zinc/94/89/10/623948910.db2.gz VCCIGISDDZKSSW-RDJZCZTQSA-N 1 3 316.449 2.231 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679938 623948913 /nfs/dbraw/zinc/94/89/13/623948913.db2.gz VCCIGISDDZKSSW-RDJZCZTQSA-N 1 3 316.449 2.231 20 30 DEEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000998792835 634405535 /nfs/dbraw/zinc/40/55/35/634405535.db2.gz CEPYOIJBAFIPDY-PFSRBDOWSA-N 1 3 313.873 2.048 20 30 DEEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000998792835 634405539 /nfs/dbraw/zinc/40/55/39/634405539.db2.gz CEPYOIJBAFIPDY-PFSRBDOWSA-N 1 3 313.873 2.048 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001023365188 625239705 /nfs/dbraw/zinc/23/97/05/625239705.db2.gz YZQNNRBEYHUMRO-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001023365188 625239714 /nfs/dbraw/zinc/23/97/14/625239714.db2.gz YZQNNRBEYHUMRO-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001026267879 625240477 /nfs/dbraw/zinc/24/04/77/625240477.db2.gz RMMGKYBURBDMEX-GVDBMIGSSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001023402031 625253522 /nfs/dbraw/zinc/25/35/22/625253522.db2.gz DJMMQVGRNKAFEX-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001023402031 625253526 /nfs/dbraw/zinc/25/35/26/625253526.db2.gz DJMMQVGRNKAFEX-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCCN1C(C)C ZINC001024691719 632926864 /nfs/dbraw/zinc/92/68/64/632926864.db2.gz AAPHSAUWXQPTJT-ZWKOTPCHSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCCN1C(C)C ZINC001024691719 632926872 /nfs/dbraw/zinc/92/68/72/632926872.db2.gz AAPHSAUWXQPTJT-ZWKOTPCHSA-N 1 3 319.493 2.243 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3nc[nH]c3C)C[C@@H]2C1 ZINC000980235123 634903917 /nfs/dbraw/zinc/90/39/17/634903917.db2.gz ZOULYOCRFBQQCV-XHSDSOJGSA-N 1 3 316.449 2.053 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3nc[nH]c3C)C[C@@H]2C1 ZINC000980235123 634903920 /nfs/dbraw/zinc/90/39/20/634903920.db2.gz ZOULYOCRFBQQCV-XHSDSOJGSA-N 1 3 316.449 2.053 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001027919018 634965832 /nfs/dbraw/zinc/96/58/32/634965832.db2.gz SFAOGQAXQRMTOR-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001027919018 634965834 /nfs/dbraw/zinc/96/58/34/634965834.db2.gz SFAOGQAXQRMTOR-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623960 636477113 /nfs/dbraw/zinc/47/71/13/636477113.db2.gz WHBBLGJDIIPSFM-KSZLIROESA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623960 636477115 /nfs/dbraw/zinc/47/71/15/636477115.db2.gz WHBBLGJDIIPSFM-KSZLIROESA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946633209 636499383 /nfs/dbraw/zinc/49/93/83/636499383.db2.gz MVQCPDOZIJNVKX-KSZLIROESA-N 1 3 321.509 2.319 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946633209 636499386 /nfs/dbraw/zinc/49/93/86/636499386.db2.gz MVQCPDOZIJNVKX-KSZLIROESA-N 1 3 321.509 2.319 20 30 DEEDHO C[NH+]=C(NCC1CCSCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000086899632 636978091 /nfs/dbraw/zinc/97/80/91/636978091.db2.gz PRLWFJOXZYUTPL-MRXNPFEDSA-N 1 3 324.538 2.265 20 30 DEEDHO C=C(C)C[NH+]1CCC(N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC001006001839 637062154 /nfs/dbraw/zinc/06/21/54/637062154.db2.gz RUHWLJBTHAKXNC-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO CCCCCCNC(=O)C(C#N)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000805852271 643538657 /nfs/dbraw/zinc/53/86/57/643538657.db2.gz YWKBPVHCIITEFV-MRXNPFEDSA-N 1 3 319.449 2.266 20 30 DEEDHO C=CCN1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+](CCC)C3)CCC[C@@H]12 ZINC000992149867 646874832 /nfs/dbraw/zinc/87/48/32/646874832.db2.gz OEIDLEFWLWIASP-ZHALLVOQSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCN1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC000992149867 646874833 /nfs/dbraw/zinc/87/48/33/646874833.db2.gz OEIDLEFWLWIASP-ZHALLVOQSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)C(C)(C)C1 ZINC000940790033 648941710 /nfs/dbraw/zinc/94/17/10/648941710.db2.gz SFIYNBKMIYGYNP-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)C(C)(C)C1 ZINC000940790033 648941711 /nfs/dbraw/zinc/94/17/11/648941711.db2.gz SFIYNBKMIYGYNP-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C[C@H](CNC(=[NH2+])NCCc1ccccc1)N1CCCC[C@H]1C ZINC000303877671 685236890 /nfs/dbraw/zinc/23/68/90/685236890.db2.gz FMYSXLPBUNEIHA-HZPDHXFCSA-N 1 3 302.466 2.396 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001019812479 688413323 /nfs/dbraw/zinc/41/33/23/688413323.db2.gz RANBCKULLJYJEJ-INIZCTEOSA-N 1 3 301.434 2.128 20 30 DEEDHO C#CCCN1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034285367 689795016 /nfs/dbraw/zinc/79/50/16/689795016.db2.gz CMRXWWSEAFSBLN-QZTJIDSGSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCCN1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034285367 689795018 /nfs/dbraw/zinc/79/50/18/689795018.db2.gz CMRXWWSEAFSBLN-QZTJIDSGSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000876722507 689915348 /nfs/dbraw/zinc/91/53/48/689915348.db2.gz WXZJFNXPDRJEKR-HUUCEWRRSA-N 1 3 315.889 2.329 20 30 DEEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000876732414 689919854 /nfs/dbraw/zinc/91/98/54/689919854.db2.gz VMLMAZVRPVQHJS-CABCVRRESA-N 1 3 309.841 2.184 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000876876454 689961579 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20 30 DEEDHO C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039163333 691036588 /nfs/dbraw/zinc/03/65/88/691036588.db2.gz AKIUPDXFIUAVFH-WMZOPIPTSA-N 1 3 319.493 2.075 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040241716 691219244 /nfs/dbraw/zinc/21/92/44/691219244.db2.gz RPLFHQKQFFKDFN-PKOBYXMFSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040241716 691219247 /nfs/dbraw/zinc/21/92/47/691219247.db2.gz RPLFHQKQFFKDFN-PKOBYXMFSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@@H](C)C1 ZINC001044741689 691880644 /nfs/dbraw/zinc/88/06/44/691880644.db2.gz CMLWAZOLJQSUKR-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001047244905 692402023 /nfs/dbraw/zinc/40/20/23/692402023.db2.gz VOBVDADWIYGUFH-ZWKOTPCHSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049535237 692914999 /nfs/dbraw/zinc/91/49/99/692914999.db2.gz ZGXFRJNHUXBAJC-ZACQAIPSSA-N 1 3 307.482 2.214 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049535237 692915001 /nfs/dbraw/zinc/91/50/01/692915001.db2.gz ZGXFRJNHUXBAJC-ZACQAIPSSA-N 1 3 307.482 2.214 20 30 DEEDHO C=C(C)CC[NH+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001050663395 693227394 /nfs/dbraw/zinc/22/73/94/693227394.db2.gz SRTBKDZLOFMDGH-KRWDZBQOSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCC[NH+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@H]3C)C2)CC1 ZINC001050764969 693246213 /nfs/dbraw/zinc/24/62/13/693246213.db2.gz DVNUWCDOQVKLQR-IAGOWNOFSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001052427169 693531862 /nfs/dbraw/zinc/53/18/62/693531862.db2.gz WNBXSBUUIDAXRR-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001052427169 693531864 /nfs/dbraw/zinc/53/18/64/693531864.db2.gz WNBXSBUUIDAXRR-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCN1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001052859271 693634915 /nfs/dbraw/zinc/63/49/15/693634915.db2.gz KRDAKAYAQCYJAS-QZTJIDSGSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCN1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001052859271 693634918 /nfs/dbraw/zinc/63/49/18/693634918.db2.gz KRDAKAYAQCYJAS-QZTJIDSGSA-N 1 3 319.493 2.245 20 30 DEEDHO C=C(Cl)CNC[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001423013484 1173015965 /nfs/dbraw/zinc/01/59/65/1173015965.db2.gz ZEMLXFYFOOGZQY-HUUCEWRRSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(Cl)CNC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001423013484 1173015971 /nfs/dbraw/zinc/01/59/71/1173015971.db2.gz ZEMLXFYFOOGZQY-HUUCEWRRSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001446579466 1184426041 /nfs/dbraw/zinc/42/60/41/1184426041.db2.gz HFCHBDRLECLYMX-MRXNPFEDSA-N 1 3 313.873 2.051 20 30 DEEDHO C#CCC[NH2+]C[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C(C)(C)C ZINC001332859796 1149905387 /nfs/dbraw/zinc/90/53/87/1149905387.db2.gz KCKPMFWDYUAQGJ-SJORKVTESA-N 1 3 321.509 2.395 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106672778 782844922 /nfs/dbraw/zinc/84/49/22/782844922.db2.gz KENUHARKEBJPOA-HZPDHXFCSA-N 1 3 309.498 2.225 20 30 DEEDHO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203524419 783002388 /nfs/dbraw/zinc/00/23/88/783002388.db2.gz VGRLONGIQOWHPN-HOTGVXAUSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(Cl)CNCCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001167610167 777390112 /nfs/dbraw/zinc/39/01/12/777390112.db2.gz QPKLKWDCDWWAJP-AWEZNQCLSA-N 1 3 301.862 2.099 20 30 DEEDHO C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001104641427 777989524 /nfs/dbraw/zinc/98/95/24/777989524.db2.gz RCFIOJKQRKIGHT-BRWVUGGUSA-N 1 3 309.498 2.223 20 30 DEEDHO C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@H]1C)C2 ZINC001112529803 778608441 /nfs/dbraw/zinc/60/84/41/778608441.db2.gz PZMAKWRDAMWTIM-AOIWGVFYSA-N 1 3 319.493 2.265 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H]1CC ZINC001087684838 779409080 /nfs/dbraw/zinc/40/90/80/779409080.db2.gz RBZWMYPQPPTFPW-JKSUJKDBSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H]1CC ZINC001087684838 779409085 /nfs/dbraw/zinc/40/90/85/779409085.db2.gz RBZWMYPQPPTFPW-JKSUJKDBSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCN1CCC(NC(=O)c2cccc(CC[NH+](C)C)c2)CC1 ZINC001144417760 790898660 /nfs/dbraw/zinc/89/86/60/790898660.db2.gz IOIOQQUUVYUKFJ-UHFFFAOYSA-N 1 3 315.461 2.171 20 30 DEEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001089641332 783310243 /nfs/dbraw/zinc/31/02/43/783310243.db2.gz KVDIUJYOXUPOAW-DLBZAZTESA-N 1 3 319.493 2.121 20 30 DEEDHO C#CCN1CCC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948439279 783465247 /nfs/dbraw/zinc/46/52/47/783465247.db2.gz LWPYDWNCJMXAKU-MSOLQXFVSA-N 1 3 319.493 2.195 20 30 DEEDHO C#CCN1CCC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948439279 783465256 /nfs/dbraw/zinc/46/52/56/783465256.db2.gz LWPYDWNCJMXAKU-MSOLQXFVSA-N 1 3 319.493 2.195 20 30 DEEDHO C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001085432148 783680858 /nfs/dbraw/zinc/68/08/58/783680858.db2.gz KLYPYLCYSKZPIP-QZTJIDSGSA-N 1 3 313.445 2.012 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001007457369 784925578 /nfs/dbraw/zinc/92/55/78/784925578.db2.gz MGHPJWQBSCKWPM-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001007457369 784925583 /nfs/dbraw/zinc/92/55/83/784925583.db2.gz MGHPJWQBSCKWPM-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCO[C@@H]1CO[C@@]2(C1)CCCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169142096 785062447 /nfs/dbraw/zinc/06/24/47/785062447.db2.gz ZSGYRZKXJBLRGB-XCDZQEORSA-N 1 3 320.477 2.438 20 30 DEEDHO C=CCO[C@@H]1CO[C@@]2(C1)CCCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169142096 785062449 /nfs/dbraw/zinc/06/24/49/785062449.db2.gz ZSGYRZKXJBLRGB-XCDZQEORSA-N 1 3 320.477 2.438 20 30 DEEDHO C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CCC)C2 ZINC001112567475 786160541 /nfs/dbraw/zinc/16/05/41/786160541.db2.gz QXHUZSWDHIAXOB-WMZOPIPTSA-N 1 3 307.482 2.123 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001086694556 788192917 /nfs/dbraw/zinc/19/29/17/788192917.db2.gz YBHKFBFZSNPPAA-GVDBMIGSSA-N 1 3 307.482 2.310 20 30 DEEDHO C#CCC[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C ZINC001133123046 788288837 /nfs/dbraw/zinc/28/88/37/788288837.db2.gz XYZDCMADVARUMQ-SJORKVTESA-N 1 3 321.509 2.062 20 30 DEEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCCCCC)CC[C@H]1C ZINC001133186408 788311030 /nfs/dbraw/zinc/31/10/30/788311030.db2.gz UOWSBJLQZBPYJE-QZTJIDSGSA-N 1 3 321.509 2.206 20 30 DEEDHO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001146583751 791310335 /nfs/dbraw/zinc/31/03/35/791310335.db2.gz PAGQFXWAJWANQG-JKSUJKDBSA-N 1 3 315.461 2.258 20 30 DEEDHO C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001098991459 792021081 /nfs/dbraw/zinc/02/10/81/792021081.db2.gz ZEOGCTPGBRTTHZ-AOIWGVFYSA-N 1 3 319.493 2.265 20 30 DEEDHO C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001098991459 792021090 /nfs/dbraw/zinc/02/10/90/792021090.db2.gz ZEOGCTPGBRTTHZ-AOIWGVFYSA-N 1 3 319.493 2.265 20 30 DEEDHO COCCC[NH+]1CCC(NCCOc2ccc(C#N)cc2)CC1 ZINC001172247045 793386139 /nfs/dbraw/zinc/38/61/39/793386139.db2.gz BGCIMTWCLVWVJT-UHFFFAOYSA-N 1 3 317.433 2.028 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102531991 793643358 /nfs/dbraw/zinc/64/33/58/793643358.db2.gz OVIZSNCUCGAIFI-IJEWVQPXSA-N 1 3 318.465 2.299 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102531991 793643364 /nfs/dbraw/zinc/64/33/64/793643364.db2.gz OVIZSNCUCGAIFI-IJEWVQPXSA-N 1 3 318.465 2.299 20 30 DEEDHO C=CCOC1CCC([NH+]2CCC(N)(CC(=O)OCC)CC2)CC1 ZINC001173319249 793689776 /nfs/dbraw/zinc/68/97/76/793689776.db2.gz BPADFNXEYYCTOE-UHFFFAOYSA-N 1 3 324.465 2.247 20 30 DEEDHO CC#CC[NH2+]CCCC[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175295923 794170060 /nfs/dbraw/zinc/17/00/60/794170060.db2.gz LJWMIRHDBIZOEI-INIZCTEOSA-N 1 3 309.498 2.252 20 30 DEEDHO C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)CN(CC)CC ZINC001175767764 794284210 /nfs/dbraw/zinc/28/42/10/794284210.db2.gz JJVBBVQUXXFJTP-CQSZACIVSA-N 1 3 303.878 2.345 20 30 DEEDHO C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N(C)CC)C2 ZINC001112438929 794637628 /nfs/dbraw/zinc/63/76/28/794637628.db2.gz LOWNVSJSQNHGKX-YJBOKZPZSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001182925845 795774058 /nfs/dbraw/zinc/77/40/58/795774058.db2.gz WPTDAJRYDSWYNI-CZUORRHYSA-N 1 3 315.889 2.155 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001183510518 795883941 /nfs/dbraw/zinc/88/39/41/795883941.db2.gz ZDIHLXLWQFPGLY-CZUORRHYSA-N 1 3 315.889 2.153 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001184575104 796086666 /nfs/dbraw/zinc/08/66/66/796086666.db2.gz BJSMCHMJPMJVEO-CVEARBPZSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001185551325 796281001 /nfs/dbraw/zinc/28/10/01/796281001.db2.gz ZDBGCFFAHCQXLN-IAGOWNOFSA-N 1 3 309.498 2.369 20 30 DEEDHO C#CCN1CCC(C(=O)NCC[NH2+]CCCC2CCCC2)CC1 ZINC001152334598 797172538 /nfs/dbraw/zinc/17/25/38/797172538.db2.gz JTNOTDBUIFSKCY-UHFFFAOYSA-N 1 3 319.493 2.008 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)c1ccccc1CN(C)C ZINC001152393368 797182764 /nfs/dbraw/zinc/18/27/64/797182764.db2.gz KCLHDRPTAOEGBL-OAHLLOKOSA-N 1 3 303.450 2.422 20 30 DEEDHO CC#CCN(CC)[C@H](C)CNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001153819316 797403891 /nfs/dbraw/zinc/40/38/91/797403891.db2.gz WJRHMGBPTVODLH-SJORKVTESA-N 1 3 307.482 2.099 20 30 DEEDHO CC#CCN(CC)[C@H](C)CNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001153819316 797403895 /nfs/dbraw/zinc/40/38/95/797403895.db2.gz WJRHMGBPTVODLH-SJORKVTESA-N 1 3 307.482 2.099 20 30 DEEDHO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194227974 797695982 /nfs/dbraw/zinc/69/59/82/797695982.db2.gz OURDTLIYAGPEDX-SFHVURJKSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194227974 797695985 /nfs/dbraw/zinc/69/59/85/797695985.db2.gz OURDTLIYAGPEDX-SFHVURJKSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1C ZINC001158474227 798412392 /nfs/dbraw/zinc/41/23/92/798412392.db2.gz TWKUJKLACSQEJX-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1C ZINC001158474227 798412399 /nfs/dbraw/zinc/41/23/99/798412399.db2.gz TWKUJKLACSQEJX-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001201053748 798711080 /nfs/dbraw/zinc/71/10/80/798711080.db2.gz WGPWPIPUVQFYRN-YOEHRIQHSA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(C)CC[N@H+]1CC=C(CCNC(=O)CN(CC)CC)CC1 ZINC001161505023 798872805 /nfs/dbraw/zinc/87/28/05/798872805.db2.gz YSBVGDWGMMXYHI-UHFFFAOYSA-N 1 3 307.482 2.433 20 30 DEEDHO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)CN(CC)CC)CC1 ZINC001161505023 798872811 /nfs/dbraw/zinc/87/28/11/798872811.db2.gz YSBVGDWGMMXYHI-UHFFFAOYSA-N 1 3 307.482 2.433 20 30 DEEDHO C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](CC)N(C)C ZINC001162934977 799203812 /nfs/dbraw/zinc/20/38/12/799203812.db2.gz NISUKZGXJCZSLE-SFHVURJKSA-N 1 3 317.477 2.174 20 30 DEEDHO C#CCCC1(CCNc2cccc(N3CCC([NH3+])CC3)n2)N=N1 ZINC001163381088 799328268 /nfs/dbraw/zinc/32/82/68/799328268.db2.gz PZKFIZAXXQZVPQ-UHFFFAOYSA-N 1 3 312.421 2.387 20 30 DEEDHO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3cnccc3N)C2)cc1 ZINC001209733381 801267368 /nfs/dbraw/zinc/26/73/68/801267368.db2.gz VEPDHVMWSMDRJY-QGZVFWFLSA-N 1 3 308.385 2.409 20 30 DEEDHO N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3cnccc3N)C2)cc1 ZINC001209733381 801267372 /nfs/dbraw/zinc/26/73/72/801267372.db2.gz VEPDHVMWSMDRJY-QGZVFWFLSA-N 1 3 308.385 2.409 20 30 DEEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444374 801566926 /nfs/dbraw/zinc/56/69/26/801566926.db2.gz XQEFOTAAFMDFIM-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215569327 801877377 /nfs/dbraw/zinc/87/73/77/801877377.db2.gz ZXHCTQUAIWYACL-HZPDHXFCSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001216829307 802030161 /nfs/dbraw/zinc/03/01/61/802030161.db2.gz VIWGMHIMRAGWRA-CRAIPNDOSA-N 1 3 315.461 2.374 20 30 DEEDHO C=C1CC[NH2+]C[C@@H]1Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001218211155 802153764 /nfs/dbraw/zinc/15/37/64/802153764.db2.gz RNKQFLCQOVHMHS-SFHVURJKSA-N 1 3 301.434 2.125 20 30 DEEDHO C=CCCC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001223472948 802792744 /nfs/dbraw/zinc/79/27/44/802792744.db2.gz YLSDRBOFHVOHPD-QGZVFWFLSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CC[NH+]1CCC(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001225286240 802951046 /nfs/dbraw/zinc/95/10/46/802951046.db2.gz SMUXWPRKPDSOOJ-UHFFFAOYSA-N 1 3 304.438 2.055 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001228225266 803332822 /nfs/dbraw/zinc/33/28/22/803332822.db2.gz VNRXXCKHJPTXQF-ZIAGYGMSSA-N 1 3 313.873 2.098 20 30 DEEDHO C=CCCC[N@@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001501232328 1059396056 /nfs/dbraw/zinc/39/60/56/1059396056.db2.gz HEEXXFIZMFYFGB-CALCHBBNSA-N 1 3 321.509 2.321 20 30 DEEDHO C=CCCC[N@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001501232328 1059396073 /nfs/dbraw/zinc/39/60/73/1059396073.db2.gz HEEXXFIZMFYFGB-CALCHBBNSA-N 1 3 321.509 2.321 20 30 DEEDHO C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)CN(C)C(C)C)cc1 ZINC001501681166 1059632609 /nfs/dbraw/zinc/63/26/09/1059632609.db2.gz DBVUETYWZIJQEA-HNNXBMFYSA-N 1 3 303.450 2.480 20 30 DEEDHO C=CCC[NH2+]C1(CC)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001502496082 1060153528 /nfs/dbraw/zinc/15/35/28/1060153528.db2.gz FYKJHBRMXIKWNU-UHFFFAOYSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001506663726 1062255291 /nfs/dbraw/zinc/25/52/91/1062255291.db2.gz VWCOGGHMKIAWBB-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001480255377 1062536773 /nfs/dbraw/zinc/53/67/73/1062536773.db2.gz VJXOTFHPKWUCLY-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001480255377 1062536790 /nfs/dbraw/zinc/53/67/90/1062536790.db2.gz VJXOTFHPKWUCLY-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001480257850 1062544911 /nfs/dbraw/zinc/54/49/11/1062544911.db2.gz OCAAQKOLYPHYEX-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001480257850 1062544921 /nfs/dbraw/zinc/54/49/21/1062544921.db2.gz OCAAQKOLYPHYEX-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO CC#CC[NH2+]C[C@]1(NC(=O)CN(C)CCC)CCCC[C@@H]1C ZINC001568043480 1064614944 /nfs/dbraw/zinc/61/49/44/1064614944.db2.gz KWMVYZLQVUPTAH-FUHWJXTLSA-N 1 3 307.482 2.006 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1nc[nH]c1C ZINC001568542138 1064954777 /nfs/dbraw/zinc/95/47/77/1064954777.db2.gz ZMMNFZDIAKHKBR-GJZGRUSLSA-N 1 3 304.438 2.101 20 30 DEEDHO C=CCCCN1CC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001569376287 1065472780 /nfs/dbraw/zinc/47/27/80/1065472780.db2.gz IJXVDFXEVKDKBY-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001569436387 1065507368 /nfs/dbraw/zinc/50/73/68/1065507368.db2.gz HPXHBNAZPWQMGU-ROUUACIJSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001569436387 1065507380 /nfs/dbraw/zinc/50/73/80/1065507380.db2.gz HPXHBNAZPWQMGU-ROUUACIJSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)C1CCCCCC1 ZINC001569450868 1065515688 /nfs/dbraw/zinc/51/56/88/1065515688.db2.gz NFODVQMAVVSNHX-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)C1CCCCCC1 ZINC001569450868 1065515691 /nfs/dbraw/zinc/51/56/91/1065515691.db2.gz NFODVQMAVVSNHX-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](CC)N(C)C ZINC001570028157 1065893184 /nfs/dbraw/zinc/89/31/84/1065893184.db2.gz LHBKCOIMPFVENP-SFHVURJKSA-N 1 3 315.461 2.098 20 30 DEEDHO C#CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H](CC)N(C)C ZINC001570028157 1065893192 /nfs/dbraw/zinc/89/31/92/1065893192.db2.gz LHBKCOIMPFVENP-SFHVURJKSA-N 1 3 315.461 2.098 20 30 DEEDHO C#CCC[NH+]1CCC2(CCN(C(=O)CN(C)C(C)C)CC2)CC1 ZINC001570486870 1066092565 /nfs/dbraw/zinc/09/25/65/1066092565.db2.gz IFFCEUCEIPHRTN-UHFFFAOYSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CC[N@@H+](CC)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001570502598 1066096574 /nfs/dbraw/zinc/09/65/74/1066096574.db2.gz GVLFWKQJXQEVNJ-INIZCTEOSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CC[N@H+](CC)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001570502598 1066096584 /nfs/dbraw/zinc/09/65/84/1066096584.db2.gz GVLFWKQJXQEVNJ-INIZCTEOSA-N 1 3 307.482 2.075 20 30 DEEDHO N#C[C@H](c1ccc(F)cc1)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC001580035808 1067477642 /nfs/dbraw/zinc/47/76/42/1067477642.db2.gz HCRXPRDBIMBDEX-MAUKXSAKSA-N 1 3 316.424 2.008 20 30 DEEDHO C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001571326724 1068223229 /nfs/dbraw/zinc/22/32/29/1068223229.db2.gz ZXVCXMIRTRCSPJ-HUUCEWRRSA-N 1 3 315.889 2.488 20 30 DEEDHO C=CCCCCC[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001571492764 1068349268 /nfs/dbraw/zinc/34/92/68/1068349268.db2.gz IMYDYVMJHCJYQE-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001566739834 1075330581 /nfs/dbraw/zinc/33/05/81/1075330581.db2.gz KZMFTDLURQJIEL-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001566739834 1075330584 /nfs/dbraw/zinc/33/05/84/1075330584.db2.gz KZMFTDLURQJIEL-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001566790785 1075345369 /nfs/dbraw/zinc/34/53/69/1075345369.db2.gz YCHCOJBQUREPRH-LUKYLMHMSA-N 1 3 307.482 2.451 20 30 DEEDHO C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267703650 1079392312 /nfs/dbraw/zinc/39/23/12/1079392312.db2.gz SOGNSBDRJHNOBP-SJORKVTESA-N 1 3 309.498 2.319 20 30 DEEDHO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267703650 1079392317 /nfs/dbraw/zinc/39/23/17/1079392317.db2.gz SOGNSBDRJHNOBP-SJORKVTESA-N 1 3 309.498 2.319 20 30 DEEDHO C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001566878168 1075371319 /nfs/dbraw/zinc/37/13/19/1075371319.db2.gz NBSVGMBQECXAMI-ZWKOTPCHSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001566878168 1075371321 /nfs/dbraw/zinc/37/13/21/1075371321.db2.gz NBSVGMBQECXAMI-ZWKOTPCHSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CC[NH2+][C@@H]1CCN(C(=O)CN(C)CCCCCC)[C@H](C)C1 ZINC001671250910 1079639668 /nfs/dbraw/zinc/63/96/68/1079639668.db2.gz GBLHJKAUGKTUPQ-IAGOWNOFSA-N 1 3 307.482 2.101 20 30 DEEDHO C#CC[NH2+][C@H]1CCN(C(=O)CN(C)CCCCCC)[C@H](C)C1 ZINC001671250912 1079640673 /nfs/dbraw/zinc/64/06/73/1079640673.db2.gz GBLHJKAUGKTUPQ-SJORKVTESA-N 1 3 307.482 2.101 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(CCC)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001481409832 1079798692 /nfs/dbraw/zinc/79/86/92/1079798692.db2.gz ULFDLQHBIHWGEM-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(CCC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001481409832 1079798697 /nfs/dbraw/zinc/79/86/97/1079798697.db2.gz ULFDLQHBIHWGEM-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)CCC[NH+](C)C ZINC001485043965 1079927509 /nfs/dbraw/zinc/92/75/09/1079927509.db2.gz JEBQNGWDXITXMJ-IEBWSBKVSA-N 1 3 315.461 2.276 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCCN1CC ZINC001663124209 1080706690 /nfs/dbraw/zinc/70/66/90/1080706690.db2.gz UDVUMZBRVZDSGZ-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCCN1CC ZINC001663124209 1080706694 /nfs/dbraw/zinc/70/66/94/1080706694.db2.gz UDVUMZBRVZDSGZ-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[NH2+]C[C@@]1(NC(=O)Cc2nc[nH]c2C)CCCC[C@H]1C ZINC001666067725 1081118396 /nfs/dbraw/zinc/11/83/96/1081118396.db2.gz HIPSVQUUSPYPKR-KDOFPFPSSA-N 1 3 318.465 2.491 20 30 DEEDHO C=C(C)CN(C)CCN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001667627372 1081267911 /nfs/dbraw/zinc/26/79/11/1081267911.db2.gz REIBGETXFQGBRZ-UHFFFAOYSA-N 1 3 317.477 2.371 20 30 DEEDHO C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC001269574819 1081295207 /nfs/dbraw/zinc/29/52/07/1081295207.db2.gz BFVJZELKZODNIC-VHRNVKJDSA-N 1 3 302.422 2.030 20 30 DEEDHO C=C(C)C[NH2+]CCN(CC)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001668555922 1081367334 /nfs/dbraw/zinc/36/73/34/1081367334.db2.gz ZKDAKTYQJCLVOW-QGZVFWFLSA-N 1 3 313.461 2.213 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001671917027 1081549695 /nfs/dbraw/zinc/54/96/95/1081549695.db2.gz UEZSQFZTUIOGPH-SFHVURJKSA-N 1 3 318.465 2.445 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001671917027 1081549697 /nfs/dbraw/zinc/54/96/97/1081549697.db2.gz UEZSQFZTUIOGPH-SFHVURJKSA-N 1 3 318.465 2.445 20 30 DEEDHO CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H](CC)N(C)C)cc1 ZINC001672944059 1081725786 /nfs/dbraw/zinc/72/57/86/1081725786.db2.gz VZMZOJSSZZGDHN-QAPCUYQASA-N 1 3 315.461 2.317 20 30 DEEDHO C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001270863865 1081766524 /nfs/dbraw/zinc/76/65/24/1081766524.db2.gz LKTMHATZIXHRIQ-KRWDZBQOSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[NH2+]C1(C)CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001673988883 1081821845 /nfs/dbraw/zinc/82/18/45/1081821845.db2.gz JOEUYWBQSWPAPQ-UHFFFAOYSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCN1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001266251635 1081917434 /nfs/dbraw/zinc/91/74/34/1081917434.db2.gz DTNNUOAYKIEJPF-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO CC[C@@H](CC#N)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397489909 1082076309 /nfs/dbraw/zinc/07/63/09/1082076309.db2.gz HKWXSUYNDRKGGG-KRWDZBQOSA-N 1 3 301.434 2.295 20 30 DEEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001266860109 1082404354 /nfs/dbraw/zinc/40/43/54/1082404354.db2.gz XLCFZNZMRXNQLG-KRWDZBQOSA-N 1 3 307.482 2.409 20 30 DEEDHO C=C(C)C[N@@H+](C)CCN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001272179172 1082621219 /nfs/dbraw/zinc/62/12/19/1082621219.db2.gz ZFGBRYCZBWZGLK-UHFFFAOYSA-N 1 3 303.450 2.328 20 30 DEEDHO C=C(C)C[N@H+](C)CCN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001272179172 1082621220 /nfs/dbraw/zinc/62/12/20/1082621220.db2.gz ZFGBRYCZBWZGLK-UHFFFAOYSA-N 1 3 303.450 2.328 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001496869326 1083059162 /nfs/dbraw/zinc/05/91/62/1083059162.db2.gz PQEVOVVSILSPEH-IAGOWNOFSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001496869326 1083059165 /nfs/dbraw/zinc/05/91/65/1083059165.db2.gz PQEVOVVSILSPEH-IAGOWNOFSA-N 1 3 307.482 2.216 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001276983470 1083719372 /nfs/dbraw/zinc/71/93/72/1083719372.db2.gz LAOHALATKGQAJJ-WKILWMFISA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001491315000 1084229677 /nfs/dbraw/zinc/22/96/77/1084229677.db2.gz VMPAXZIWRWDFPN-IECFSIQFSA-N 1 3 319.493 2.260 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001491315000 1084229685 /nfs/dbraw/zinc/22/96/85/1084229685.db2.gz VMPAXZIWRWDFPN-IECFSIQFSA-N 1 3 319.493 2.260 20 30 DEEDHO C=CCCN1CC[C@H]1CN(C)C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001235340327 1084398442 /nfs/dbraw/zinc/39/84/42/1084398442.db2.gz ZKMVBFSBRXERRW-IRXDYDNUSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCCN1CC[C@H]1CN(C)C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001235340327 1084398455 /nfs/dbraw/zinc/39/84/55/1084398455.db2.gz ZKMVBFSBRXERRW-IRXDYDNUSA-N 1 3 307.482 2.358 20 30 DEEDHO CC#CC[NH2+]C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C(C)(C)C ZINC001486415983 1085302195 /nfs/dbraw/zinc/30/21/95/1085302195.db2.gz HMOKMYVXRXOIKY-IRXDYDNUSA-N 1 3 321.509 2.395 20 30 DEEDHO C#CCC[NH+]1CCC([C@H](C)NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001486449593 1085321202 /nfs/dbraw/zinc/32/12/02/1085321202.db2.gz ZKLRHPKQSLENLP-INIZCTEOSA-N 1 3 321.509 2.204 20 30 DEEDHO C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC000965933111 1085700311 /nfs/dbraw/zinc/70/03/11/1085700311.db2.gz NSXZLMVNOKZMQG-RFSHTEQGSA-N 1 3 319.493 2.454 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961415083 1085724983 /nfs/dbraw/zinc/72/49/83/1085724983.db2.gz LRPAISWTJPWPJR-MRXNPFEDSA-N 1 3 316.449 2.089 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961415083 1085725000 /nfs/dbraw/zinc/72/50/00/1085725000.db2.gz LRPAISWTJPWPJR-MRXNPFEDSA-N 1 3 316.449 2.089 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963366758 1086427667 /nfs/dbraw/zinc/42/76/67/1086427667.db2.gz MTQFITHVFHJYGT-NVXWUHKLSA-N 1 3 316.449 2.231 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963366758 1086427672 /nfs/dbraw/zinc/42/76/72/1086427672.db2.gz MTQFITHVFHJYGT-NVXWUHKLSA-N 1 3 316.449 2.231 20 30 DEEDHO C=CCC[NH+]1CCC2(CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000957644981 1088492208 /nfs/dbraw/zinc/49/22/08/1088492208.db2.gz QQZJMFWHFDJAAP-UHFFFAOYSA-N 1 3 319.493 2.363 20 30 DEEDHO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049130 1090615085 /nfs/dbraw/zinc/61/50/85/1090615085.db2.gz CXQHOQGVVRKNNQ-SQNIBIBYSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049130 1090615087 /nfs/dbraw/zinc/61/50/87/1090615087.db2.gz CXQHOQGVVRKNNQ-SQNIBIBYSA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(Cl)CNC[C@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C ZINC001411223597 1091438881 /nfs/dbraw/zinc/43/88/81/1091438881.db2.gz MHHQLWYFMAPGQF-AWEZNQCLSA-N 1 3 315.889 2.201 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001276070855 1091508060 /nfs/dbraw/zinc/50/80/60/1091508060.db2.gz OJNZTSBYRLMBJX-LSDHHAIUSA-N 1 3 313.873 2.194 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001276070855 1091508067 /nfs/dbraw/zinc/50/80/67/1091508067.db2.gz OJNZTSBYRLMBJX-LSDHHAIUSA-N 1 3 313.873 2.194 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001273445292 1091768930 /nfs/dbraw/zinc/76/89/30/1091768930.db2.gz LJOAXWURTIISFX-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001273445292 1091768938 /nfs/dbraw/zinc/76/89/38/1091768938.db2.gz LJOAXWURTIISFX-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948811919 1091951977 /nfs/dbraw/zinc/95/19/77/1091951977.db2.gz BHTQWASZHCFYAT-INIZCTEOSA-N 1 3 304.438 2.231 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948811919 1091951983 /nfs/dbraw/zinc/95/19/83/1091951983.db2.gz BHTQWASZHCFYAT-INIZCTEOSA-N 1 3 304.438 2.231 20 30 DEEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001493163229 1093279128 /nfs/dbraw/zinc/27/91/28/1093279128.db2.gz UDRXZVDKGINXNZ-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN1C(=O)CC[C@]12CCC[N@H+](C1CCNCC1)[C@H]2CC ZINC001246702395 1141039933 /nfs/dbraw/zinc/03/99/33/1141039933.db2.gz GELBJEZUCDZMRK-WMZOPIPTSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CCNCC1)[C@H]2CC ZINC001246702395 1141039941 /nfs/dbraw/zinc/03/99/41/1141039941.db2.gz GELBJEZUCDZMRK-WMZOPIPTSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001341731497 1143685121 /nfs/dbraw/zinc/68/51/21/1143685121.db2.gz BVSVBUHUBWNTQR-NJAFHUGGSA-N 1 3 315.461 2.307 20 30 DEEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001264380955 1144521453 /nfs/dbraw/zinc/52/14/53/1144521453.db2.gz UITPFWMMZZPLMH-IRXDYDNUSA-N 1 3 307.482 2.216 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)C1(N(C)C)CCC1 ZINC001266219736 1144815482 /nfs/dbraw/zinc/81/54/82/1144815482.db2.gz IYDFDWIPMLGKKM-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C1(N(C)C)CCC1 ZINC001266219736 1144815483 /nfs/dbraw/zinc/81/54/83/1144815483.db2.gz IYDFDWIPMLGKKM-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[NH2+]C1(CC)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001281035504 1144869510 /nfs/dbraw/zinc/86/95/10/1144869510.db2.gz CULXTLAYONUULQ-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO CC#CCN1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001281559638 1144897299 /nfs/dbraw/zinc/89/72/99/1144897299.db2.gz XYXCFRFOZFXZCS-SJORKVTESA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001281559638 1144897300 /nfs/dbraw/zinc/89/73/00/1144897300.db2.gz XYXCFRFOZFXZCS-SJORKVTESA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCCN(C)CCN(C(=O)CC[NH+]1CCCCC1)C(C)C ZINC001284558924 1145870834 /nfs/dbraw/zinc/87/08/34/1145870834.db2.gz PEOJYBHRIGPZJS-UHFFFAOYSA-N 1 3 307.482 2.055 20 30 DEEDHO C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001316641026 1146314718 /nfs/dbraw/zinc/31/47/18/1146314718.db2.gz GUIMMRFSJGXEKY-QBPKDAKJSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001491950471 1147015653 /nfs/dbraw/zinc/01/56/53/1147015653.db2.gz AOHLYSYOOPMDRZ-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001491950471 1147015658 /nfs/dbraw/zinc/01/56/58/1147015658.db2.gz AOHLYSYOOPMDRZ-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C#CCC[N@@H+](CCCNC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001316925795 1147632952 /nfs/dbraw/zinc/63/29/52/1147632952.db2.gz XXCJVWJCMZNMOJ-GOSISDBHSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCC[N@H+](CCCNC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001316925795 1147632954 /nfs/dbraw/zinc/63/29/54/1147632954.db2.gz XXCJVWJCMZNMOJ-GOSISDBHSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCCN1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001316947328 1147637249 /nfs/dbraw/zinc/63/72/49/1147637249.db2.gz KEZIBXPYQQKHFQ-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001316994394 1147645756 /nfs/dbraw/zinc/64/57/56/1147645756.db2.gz HXZBBHKOQPIFEO-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001316994394 1147645757 /nfs/dbraw/zinc/64/57/57/1147645757.db2.gz HXZBBHKOQPIFEO-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(Cl)CN[C@H](CC)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001367099351 1147649667 /nfs/dbraw/zinc/64/96/67/1147649667.db2.gz WZUWRISRZGPXSR-CQSZACIVSA-N 1 3 315.889 2.488 20 30 DEEDHO C#CCC[N@@H+](CCCNC(=O)[C@@H]1CCCCN1C(C)C)C(C)C ZINC001317704552 1147745812 /nfs/dbraw/zinc/74/58/12/1147745812.db2.gz FBWGLUJDDOIWCO-SFHVURJKSA-N 1 3 321.509 2.489 20 30 DEEDHO C#CCC[N@H+](CCCNC(=O)[C@@H]1CCCCN1C(C)C)C(C)C ZINC001317704552 1147745814 /nfs/dbraw/zinc/74/58/14/1147745814.db2.gz FBWGLUJDDOIWCO-SFHVURJKSA-N 1 3 321.509 2.489 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001324739891 1147839095 /nfs/dbraw/zinc/83/90/95/1147839095.db2.gz DMDBZHISSSAZNX-QGZVFWFLSA-N 1 3 307.482 2.265 20 30 DEEDHO CC#CCN1CCC[C@@](C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001324943143 1147860578 /nfs/dbraw/zinc/86/05/78/1147860578.db2.gz DPTHFBPGAARGAH-HKUYNNGSSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CCN1CCC[C@@](C)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001324943143 1147860579 /nfs/dbraw/zinc/86/05/79/1147860579.db2.gz DPTHFBPGAARGAH-HKUYNNGSSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCN1CCC(NC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000237930748 539751102 /nfs/dbraw/zinc/75/11/02/539751102.db2.gz OZWSIYDYUGOLRV-KRWDZBQOSA-N 1 3 301.434 2.233 20 30 DEEDHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000072858153 191240463 /nfs/dbraw/zinc/24/04/63/191240463.db2.gz GWKSDNANYYBWPN-HNNXBMFYSA-N 1 3 314.433 2.160 20 30 DEEDHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000072858153 191240466 /nfs/dbraw/zinc/24/04/66/191240466.db2.gz GWKSDNANYYBWPN-HNNXBMFYSA-N 1 3 314.433 2.160 20 30 DEEDHO C=CCOc1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1Cl ZINC000077450490 355205486 /nfs/dbraw/zinc/20/54/86/355205486.db2.gz JAUAPHFTKHYIMO-UHFFFAOYSA-N 1 3 324.852 2.451 20 30 DEEDHO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3CN)C2)c(F)c1 ZINC000581720263 357237029 /nfs/dbraw/zinc/23/70/29/357237029.db2.gz BXYPZRAFULQTJB-HLLBOEOZSA-N 1 3 316.424 2.383 20 30 DEEDHO N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCC[C@@H]3C[NH3+])C2)c(F)c1 ZINC000581720263 357237035 /nfs/dbraw/zinc/23/70/35/357237035.db2.gz BXYPZRAFULQTJB-HLLBOEOZSA-N 1 3 316.424 2.383 20 30 DEEDHO COCC[N@H+](C)CCCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611390494 361589298 /nfs/dbraw/zinc/58/92/98/361589298.db2.gz DYOVVLFHEIHIFO-SFHVURJKSA-N 1 3 301.434 2.494 20 30 DEEDHO COCC[N@@H+](C)CCCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611390494 361589302 /nfs/dbraw/zinc/58/93/02/361589302.db2.gz DYOVVLFHEIHIFO-SFHVURJKSA-N 1 3 301.434 2.494 20 30 DEEDHO COCC[N@H+](C)CCCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390493 361589329 /nfs/dbraw/zinc/58/93/29/361589329.db2.gz DYOVVLFHEIHIFO-GOSISDBHSA-N 1 3 301.434 2.494 20 30 DEEDHO COCC[N@@H+](C)CCCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390493 361589334 /nfs/dbraw/zinc/58/93/34/361589334.db2.gz DYOVVLFHEIHIFO-GOSISDBHSA-N 1 3 301.434 2.494 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623579211 365088122 /nfs/dbraw/zinc/08/81/22/365088122.db2.gz RPJYRCCJTXZNRX-INIZCTEOSA-N 1 3 322.497 2.058 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000623579211 365088126 /nfs/dbraw/zinc/08/81/26/365088126.db2.gz RPJYRCCJTXZNRX-INIZCTEOSA-N 1 3 322.497 2.058 20 30 DEEDHO COc1ccc(CCNC(=[NH2+])NCC2(N(C)C)CCCC2)cc1 ZINC000264117037 533478814 /nfs/dbraw/zinc/47/88/14/533478814.db2.gz QFCQZCHPHMJLAA-UHFFFAOYSA-N 1 3 318.465 2.016 20 30 DEEDHO N#Cc1cnc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c(Cl)c1 ZINC000565650985 292175068 /nfs/dbraw/zinc/17/50/68/292175068.db2.gz XKASICNXPDIYQG-CYBMUJFWSA-N 1 3 318.808 2.353 20 30 DEEDHO N#Cc1cnc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c(Cl)c1 ZINC000565650985 292175069 /nfs/dbraw/zinc/17/50/69/292175069.db2.gz XKASICNXPDIYQG-CYBMUJFWSA-N 1 3 318.808 2.353 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCC[N@@H+](C)CCCC)CC1 ZINC000112453752 401745737 /nfs/dbraw/zinc/74/57/37/401745737.db2.gz LUZJHMQANKRYBN-UHFFFAOYSA-N 1 3 310.486 2.058 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCC[N@H+](C)CCCC)CC1 ZINC000112453752 401745739 /nfs/dbraw/zinc/74/57/39/401745739.db2.gz LUZJHMQANKRYBN-UHFFFAOYSA-N 1 3 310.486 2.058 20 30 DEEDHO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)C[C@H]1CCN(C)C1 ZINC000121044385 402011834 /nfs/dbraw/zinc/01/18/34/402011834.db2.gz CAMPXXMLSSPWIO-WMZOPIPTSA-N 1 3 318.461 2.038 20 30 DEEDHO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)C[C@H]1CCN(C)C1 ZINC000121044385 402011837 /nfs/dbraw/zinc/01/18/37/402011837.db2.gz CAMPXXMLSSPWIO-WMZOPIPTSA-N 1 3 318.461 2.038 20 30 DEEDHO CCN1CCN(CCCC[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000069680069 402238644 /nfs/dbraw/zinc/23/86/44/402238644.db2.gz MXKYPIUPYYSRFV-UHFFFAOYSA-N 1 3 300.450 2.066 20 30 DEEDHO C=CCNC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000184755364 402297950 /nfs/dbraw/zinc/29/79/50/402297950.db2.gz XQXNESIQWYRJQK-HZPDHXFCSA-N 1 3 315.461 2.035 20 30 DEEDHO COc1ccccc1CNC(=[NH2+])NC[C@H](C)N1CCC(C)CC1 ZINC000170912012 402540850 /nfs/dbraw/zinc/54/08/50/402540850.db2.gz RJPJTDKRJLSUJT-HNNXBMFYSA-N 1 3 318.465 2.220 20 30 DEEDHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000173922708 402719562 /nfs/dbraw/zinc/71/95/62/402719562.db2.gz PLJYPSFRHACORN-MRXNPFEDSA-N 1 3 314.433 2.160 20 30 DEEDHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000173922708 402719563 /nfs/dbraw/zinc/71/95/63/402719563.db2.gz PLJYPSFRHACORN-MRXNPFEDSA-N 1 3 314.433 2.160 20 30 DEEDHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(C#N)c(OC)c1 ZINC000281672716 403080607 /nfs/dbraw/zinc/08/06/07/403080607.db2.gz LRGNKLCYHNYOOO-INIZCTEOSA-N 1 3 305.422 2.013 20 30 DEEDHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000343607981 403660155 /nfs/dbraw/zinc/66/01/55/403660155.db2.gz NHJYQRTYAYFFFA-QZTJIDSGSA-N 1 3 324.428 2.231 20 30 DEEDHO CCC[N@H+]1CCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000343607981 403660158 /nfs/dbraw/zinc/66/01/58/403660158.db2.gz NHJYQRTYAYFFFA-QZTJIDSGSA-N 1 3 324.428 2.231 20 30 DEEDHO CN1CCN(CCCC[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000567285372 292302683 /nfs/dbraw/zinc/30/26/83/292302683.db2.gz UUVJMYLNALBCND-IBGZPJMESA-N 1 3 312.461 2.163 20 30 DEEDHO CC[C@@H](NCC#CC[NH2+][C@@H](CC)[C@H]1CCCO1)[C@@H]1CCCO1 ZINC000350725396 404450371 /nfs/dbraw/zinc/45/03/71/404450371.db2.gz WLBZBAPWBUVGCM-FZDBZEDMSA-N 1 3 308.466 2.084 20 30 DEEDHO CC[C@@H]([NH2+]CC#CCN[C@@H](CC)[C@H]1CCCO1)[C@@H]1CCCO1 ZINC000350725396 404450381 /nfs/dbraw/zinc/45/03/81/404450381.db2.gz WLBZBAPWBUVGCM-FZDBZEDMSA-N 1 3 308.466 2.084 20 30 DEEDHO C=CC[C@@H]1[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)CCCC1(C)C ZINC000414760257 404726332 /nfs/dbraw/zinc/72/63/32/404726332.db2.gz QDGAUTAKXWCVIY-CVEARBPZSA-N 1 3 307.482 2.250 20 30 DEEDHO C=CC[C@@H]1[N@H+](C[C@H]2CCCN(C(=O)CN)C2)CCCC1(C)C ZINC000414760257 404726337 /nfs/dbraw/zinc/72/63/37/404726337.db2.gz QDGAUTAKXWCVIY-CVEARBPZSA-N 1 3 307.482 2.250 20 30 DEEDHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](N)CCCC#N ZINC000424145504 405020901 /nfs/dbraw/zinc/02/09/01/405020901.db2.gz YXHUMUQTVAMYQB-QGZVFWFLSA-N 1 3 316.449 2.166 20 30 DEEDHO N#CCCC[C@H](N)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000424157631 405025499 /nfs/dbraw/zinc/02/54/99/405025499.db2.gz NKBKQAVDDYFFEY-LBPRGKRZSA-N 1 3 314.311 2.124 20 30 DEEDHO C=CCN1CCC(NC(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000454556311 405363361 /nfs/dbraw/zinc/36/33/61/405363361.db2.gz ZDFLHTLWZMAXRU-UHFFFAOYSA-N 1 3 322.497 2.202 20 30 DEEDHO C=CCCOCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423012965 405695464 /nfs/dbraw/zinc/69/54/64/405695464.db2.gz LRJVHEHANJHQKT-FUHWJXTLSA-N 1 3 302.418 2.425 20 30 DEEDHO CCC[NH2+]CCNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423314538 405758471 /nfs/dbraw/zinc/75/84/71/405758471.db2.gz WCQCAYOUIBWBAM-UHFFFAOYSA-N 1 3 300.450 2.112 20 30 DEEDHO C=CC[C@H]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000651830454 425148969 /nfs/dbraw/zinc/14/89/69/425148969.db2.gz UGZQRUXDDYPBBO-ZWKOTPCHSA-N 1 3 321.509 2.117 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])C(C)C ZINC000659436706 425603152 /nfs/dbraw/zinc/60/31/52/425603152.db2.gz PLMPMILAIRTYTG-HNNXBMFYSA-N 1 3 310.486 2.064 20 30 DEEDHO C=CC[C@@]1(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CCC[NH2+]1 ZINC000662730906 425724027 /nfs/dbraw/zinc/72/40/27/425724027.db2.gz URQGBHUUJWGWHU-APWZRJJASA-N 1 3 315.461 2.321 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001088922366 782048746 /nfs/dbraw/zinc/04/87/46/782048746.db2.gz HFRXWCMHTLYSMU-PBHICJAKSA-N 1 3 301.434 2.127 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)NC1CCC([NH3+])CC1)C(C)C ZINC000417062328 277851104 /nfs/dbraw/zinc/85/11/04/277851104.db2.gz LVEKCQUIUYMFLB-OFLPRAFFSA-N 1 3 322.497 2.254 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)CN(C)CCC)C1 ZINC001437333677 1179731553 /nfs/dbraw/zinc/73/15/53/1179731553.db2.gz QBVIWGJXBUFXQQ-UONOGXRCSA-N 1 3 301.862 2.098 20 30 DEEDHO C#Cc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000377656265 527433668 /nfs/dbraw/zinc/43/36/68/527433668.db2.gz RVDMMUDUVNPGRY-PXNSSMCTSA-N 1 3 311.473 2.126 20 30 DEEDHO C#Cc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000377656265 527433675 /nfs/dbraw/zinc/43/36/75/527433675.db2.gz RVDMMUDUVNPGRY-PXNSSMCTSA-N 1 3 311.473 2.126 20 30 DEEDHO C#Cc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000377656265 527433677 /nfs/dbraw/zinc/43/36/77/527433677.db2.gz RVDMMUDUVNPGRY-PXNSSMCTSA-N 1 3 311.473 2.126 20 30 DEEDHO CC(C)CCNC(=[NH2+])NCCc1ccc(OCCN(C)C)cc1 ZINC000264261489 527721652 /nfs/dbraw/zinc/72/16/52/527721652.db2.gz JMHLJABCBVUHRC-UHFFFAOYSA-N 1 3 320.481 2.120 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]21 ZINC001026385493 625393758 /nfs/dbraw/zinc/39/37/58/625393758.db2.gz CAIHVLUFDBKVQH-RCCFBDPRSA-N 1 3 319.493 2.121 20 30 DEEDHO C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCN2CCC)C1 ZINC000969793397 622923810 /nfs/dbraw/zinc/92/38/10/622923810.db2.gz OHNZWANUHQKTGX-RDJZCZTQSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCN2CCC)C1 ZINC000969793395 622924525 /nfs/dbraw/zinc/92/45/25/622924525.db2.gz OHNZWANUHQKTGX-DOTOQJQBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001022201156 624497168 /nfs/dbraw/zinc/49/71/68/624497168.db2.gz FRBHCKUDNNPLSX-QLFBSQMISA-N 1 3 313.873 2.239 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001022201156 624497169 /nfs/dbraw/zinc/49/71/69/624497169.db2.gz FRBHCKUDNNPLSX-QLFBSQMISA-N 1 3 313.873 2.239 20 30 DEEDHO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001024469516 625799876 /nfs/dbraw/zinc/79/98/76/625799876.db2.gz SBARDBMMEHPACM-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001024469516 625799880 /nfs/dbraw/zinc/79/98/80/625799880.db2.gz SBARDBMMEHPACM-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC000997613539 633899555 /nfs/dbraw/zinc/89/95/55/633899555.db2.gz JVICNZDOFFRHHE-WMZOPIPTSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCN2C)CC1 ZINC000997951660 634074214 /nfs/dbraw/zinc/07/42/14/634074214.db2.gz YNNNYQYAYOQNQS-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCN2C)CC1 ZINC000997951660 634074217 /nfs/dbraw/zinc/07/42/17/634074217.db2.gz YNNNYQYAYOQNQS-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCN1CC=C(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001001269365 635445251 /nfs/dbraw/zinc/44/52/51/635445251.db2.gz NIUXMAZHZDFHPQ-UHFFFAOYSA-N 1 3 313.445 2.296 20 30 DEEDHO C=CCC[N@H+]1CCCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000982009151 635808361 /nfs/dbraw/zinc/80/83/61/635808361.db2.gz HHIOOMSJYRIZME-UHFFFAOYSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCC[N@@H+]1CCCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000982009151 635808364 /nfs/dbraw/zinc/80/83/64/635808364.db2.gz HHIOOMSJYRIZME-UHFFFAOYSA-N 1 3 319.493 2.219 20 30 DEEDHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccc(C#N)s1)C2 ZINC000922386578 636152253 /nfs/dbraw/zinc/15/22/53/636152253.db2.gz GKIXFEJXKFYEBU-NCOADZHNSA-N 1 3 319.474 2.189 20 30 DEEDHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccc(C#N)s1)C2 ZINC000922386578 636152256 /nfs/dbraw/zinc/15/22/56/636152256.db2.gz GKIXFEJXKFYEBU-NCOADZHNSA-N 1 3 319.474 2.189 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)N(C)C)C[C@@]2(C)C1 ZINC000982561674 636267756 /nfs/dbraw/zinc/26/77/56/636267756.db2.gz XOHLZTYGPATMSC-YTQUADARSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)N(C)C)C[C@@]2(C)C1 ZINC000982561674 636267757 /nfs/dbraw/zinc/26/77/57/636267757.db2.gz XOHLZTYGPATMSC-YTQUADARSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946624015 636476993 /nfs/dbraw/zinc/47/69/93/636476993.db2.gz YNZHWAPBRQQMQT-KSZLIROESA-N 1 3 319.493 2.073 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946624015 636476997 /nfs/dbraw/zinc/47/69/97/636476997.db2.gz YNZHWAPBRQQMQT-KSZLIROESA-N 1 3 319.493 2.073 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004540001 636485802 /nfs/dbraw/zinc/48/58/02/636485802.db2.gz AOOFCWYCGFSWDD-SJLPKXTDSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004540001 636485807 /nfs/dbraw/zinc/48/58/07/636485807.db2.gz AOOFCWYCGFSWDD-SJLPKXTDSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000907449577 644557442 /nfs/dbraw/zinc/55/74/42/644557442.db2.gz XNKZFIHZSOATGM-DOTOQJQBSA-N 1 3 303.450 2.302 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC000913709612 647013821 /nfs/dbraw/zinc/01/38/21/647013821.db2.gz RNZNZKNCOZXKPT-GOSISDBHSA-N 1 3 315.461 2.193 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000913724538 647018727 /nfs/dbraw/zinc/01/87/27/647018727.db2.gz KLHPYLFRZBTVRV-GOSISDBHSA-N 1 3 315.461 2.193 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948244724 648836129 /nfs/dbraw/zinc/83/61/29/648836129.db2.gz IYSIAIMGCJTLDE-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948244724 648836132 /nfs/dbraw/zinc/83/61/32/648836132.db2.gz IYSIAIMGCJTLDE-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000940798303 648948253 /nfs/dbraw/zinc/94/82/53/648948253.db2.gz GDGZXDPYKILBEQ-DLBZAZTESA-N 1 3 321.509 2.367 20 30 DEEDHO C=CCN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000940798303 648948255 /nfs/dbraw/zinc/94/82/55/648948255.db2.gz GDGZXDPYKILBEQ-DLBZAZTESA-N 1 3 321.509 2.367 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccc(C)cc1 ZINC000304764025 685261278 /nfs/dbraw/zinc/26/12/78/685261278.db2.gz XLARDARTSLFJBY-CVEARBPZSA-N 1 3 318.465 2.151 20 30 DEEDHO CC(C)CCNC(=[NH2+])NCCCN1CCc2ccccc2C1 ZINC000104168657 684058731 /nfs/dbraw/zinc/05/87/31/684058731.db2.gz HHVQNCBNLCGGHT-UHFFFAOYSA-N 1 3 302.466 2.385 20 30 DEEDHO C[C@H]1CCCN(C(=[NH2+])NCCCN2CCc3ccccc3C2)C1 ZINC000303908628 685239739 /nfs/dbraw/zinc/23/97/39/685239739.db2.gz XRUGFBLLYNIYMZ-INIZCTEOSA-N 1 3 314.477 2.481 20 30 DEEDHO CCOc1ccccc1CCNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000303990094 685243513 /nfs/dbraw/zinc/24/35/13/685243513.db2.gz YFFXJVPYNWRIEY-INIZCTEOSA-N 1 3 318.465 2.016 20 30 DEEDHO C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001016613885 687664633 /nfs/dbraw/zinc/66/46/33/687664633.db2.gz HWTYLKWBUQGAOX-SJORKVTESA-N 1 3 319.493 2.406 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001016761549 687697349 /nfs/dbraw/zinc/69/73/49/687697349.db2.gz MSUOHTWWRWQJKH-HNNXBMFYSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1CN(C)C ZINC001032430926 689149533 /nfs/dbraw/zinc/14/95/33/689149533.db2.gz IQWOMUWQEKPVSX-GJZGRUSLSA-N 1 3 319.474 2.285 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1CN(C)C ZINC001032430926 689149534 /nfs/dbraw/zinc/14/95/34/689149534.db2.gz IQWOMUWQEKPVSX-GJZGRUSLSA-N 1 3 319.474 2.285 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001033825589 689628575 /nfs/dbraw/zinc/62/85/75/689628575.db2.gz FPPNHQBFHDUGDJ-SJORKVTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001033825589 689628578 /nfs/dbraw/zinc/62/85/78/689628578.db2.gz FPPNHQBFHDUGDJ-SJORKVTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000876725806 689917054 /nfs/dbraw/zinc/91/70/54/689917054.db2.gz XXGOSJXVBXROOE-JSGCOSHPSA-N 1 3 301.862 2.085 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000876725806 689917057 /nfs/dbraw/zinc/91/70/57/689917057.db2.gz XXGOSJXVBXROOE-JSGCOSHPSA-N 1 3 301.862 2.085 20 30 DEEDHO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000876732417 689919812 /nfs/dbraw/zinc/91/98/12/689919812.db2.gz VMLMAZVRPVQHJS-LSDHHAIUSA-N 1 3 309.841 2.184 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000876735030 689920545 /nfs/dbraw/zinc/92/05/45/689920545.db2.gz YEXUIRWUKNBZFR-WHOFXGATSA-N 1 3 301.862 2.083 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000876883925 689963882 /nfs/dbraw/zinc/96/38/82/689963882.db2.gz OBSARHRURLNHBL-VBNZEHGJSA-N 1 3 321.852 2.093 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000876883925 689963884 /nfs/dbraw/zinc/96/38/84/689963884.db2.gz OBSARHRURLNHBL-VBNZEHGJSA-N 1 3 321.852 2.093 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]C(C)C)CC1 ZINC001037280988 690602609 /nfs/dbraw/zinc/60/26/09/690602609.db2.gz ZESYTOZWDVABCZ-ZWKOTPCHSA-N 1 3 319.493 2.005 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001038405557 690809671 /nfs/dbraw/zinc/80/96/71/690809671.db2.gz OUMFAZCKWFIGCT-MRXNPFEDSA-N 1 3 305.466 2.019 20 30 DEEDHO C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCC(C)(C)C1 ZINC001039298185 691076778 /nfs/dbraw/zinc/07/67/78/691076778.db2.gz OIVQOEVPIZRTHY-ALOPSCKCSA-N 1 3 319.493 2.406 20 30 DEEDHO C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241534 691219606 /nfs/dbraw/zinc/21/96/06/691219606.db2.gz OWKBRWLNCKSQQW-IBGZPJMESA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241534 691219608 /nfs/dbraw/zinc/21/96/08/691219608.db2.gz OWKBRWLNCKSQQW-IBGZPJMESA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001040398937 691242154 /nfs/dbraw/zinc/24/21/54/691242154.db2.gz MLUBHCCNODACKX-FUHWJXTLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001040398937 691242156 /nfs/dbraw/zinc/24/21/56/691242156.db2.gz MLUBHCCNODACKX-FUHWJXTLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001041647636 691404922 /nfs/dbraw/zinc/40/49/22/691404922.db2.gz ZUARFIPDHLYSRN-SJLPKXTDSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001041647636 691404924 /nfs/dbraw/zinc/40/49/24/691404924.db2.gz ZUARFIPDHLYSRN-SJLPKXTDSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001041679841 691409763 /nfs/dbraw/zinc/40/97/63/691409763.db2.gz OZZKDZZTXKGLFU-HKUYNNGSSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001041679841 691409764 /nfs/dbraw/zinc/40/97/64/691409764.db2.gz OZZKDZZTXKGLFU-HKUYNNGSSA-N 1 3 319.493 2.219 20 30 DEEDHO C#CC[N@@H+](C)CCCNCc1ccc(OC)c(OC2CC2)c1 ZINC000883131307 691435814 /nfs/dbraw/zinc/43/58/14/691435814.db2.gz VLAJJQWPXXWPNV-UHFFFAOYSA-N 1 3 302.418 2.281 20 30 DEEDHO C#CC[N@H+](C)CCCNCc1ccc(OC)c(OC2CC2)c1 ZINC000883131307 691435817 /nfs/dbraw/zinc/43/58/17/691435817.db2.gz VLAJJQWPXXWPNV-UHFFFAOYSA-N 1 3 302.418 2.281 20 30 DEEDHO C=CCC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@@H]1CCCO1 ZINC000883220960 691459929 /nfs/dbraw/zinc/45/99/29/691459929.db2.gz RSAVYCIMIVXXSH-IRXDYDNUSA-N 1 3 309.498 2.116 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]21 ZINC001042311851 691565695 /nfs/dbraw/zinc/56/56/95/691565695.db2.gz BDFDSESVEWVKHY-HUUCEWRRSA-N 1 3 316.449 2.186 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]21 ZINC001042311851 691565696 /nfs/dbraw/zinc/56/56/96/691565696.db2.gz BDFDSESVEWVKHY-HUUCEWRRSA-N 1 3 316.449 2.186 20 30 DEEDHO C=CCN1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319947 692152662 /nfs/dbraw/zinc/15/26/62/692152662.db2.gz YXKXWIUANBGSMO-APWZRJJASA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCN1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319947 692152665 /nfs/dbraw/zinc/15/26/65/692152665.db2.gz YXKXWIUANBGSMO-APWZRJJASA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049545800 692917755 /nfs/dbraw/zinc/91/77/55/692917755.db2.gz MVEBFTRDMAIPNF-SJORKVTESA-N 1 3 317.477 2.114 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001050046465 693090873 /nfs/dbraw/zinc/09/08/73/693090873.db2.gz FVTPHADWMBLQHI-OKZBNKHCSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001050046465 693090876 /nfs/dbraw/zinc/09/08/76/693090876.db2.gz FVTPHADWMBLQHI-OKZBNKHCSA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001050652496 693224608 /nfs/dbraw/zinc/22/46/08/693224608.db2.gz TZYRICZGKMIIPX-MRXNPFEDSA-N 1 3 307.482 2.073 20 30 DEEDHO CC#CCN1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052446860 693537556 /nfs/dbraw/zinc/53/75/56/693537556.db2.gz RURMDJNFXIUANZ-MSOLQXFVSA-N 1 3 319.493 2.243 20 30 DEEDHO CC#CCN1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052446860 693537561 /nfs/dbraw/zinc/53/75/61/693537561.db2.gz RURMDJNFXIUANZ-MSOLQXFVSA-N 1 3 319.493 2.243 20 30 DEEDHO CC(C)[N@@H+]1CC[C@H](CNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001335395203 1150405761 /nfs/dbraw/zinc/40/57/61/1150405761.db2.gz RMMOSBYPHHANPZ-MRXNPFEDSA-N 1 3 314.433 2.207 20 30 DEEDHO CC(C)[N@H+]1CC[C@H](CNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001335395203 1150405769 /nfs/dbraw/zinc/40/57/69/1150405769.db2.gz RMMOSBYPHHANPZ-MRXNPFEDSA-N 1 3 314.433 2.207 20 30 DEEDHO C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001354500965 1151899348 /nfs/dbraw/zinc/89/93/48/1151899348.db2.gz XEQOQFREWZJHIW-ZWKOTPCHSA-N 1 3 315.461 2.369 20 30 DEEDHO C=C(Cl)CN[C@@H](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001418422856 1167644147 /nfs/dbraw/zinc/64/41/47/1167644147.db2.gz BHCUJQNUHVJPGC-AWEZNQCLSA-N 1 3 315.889 2.344 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001106336381 782660240 /nfs/dbraw/zinc/66/02/40/782660240.db2.gz LIVUWBZMLOGJOC-HZPDHXFCSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001072955425 790329175 /nfs/dbraw/zinc/32/91/75/790329175.db2.gz KBGMDHNNEJEYBA-MRXNPFEDSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001072955425 790329184 /nfs/dbraw/zinc/32/91/84/790329184.db2.gz KBGMDHNNEJEYBA-MRXNPFEDSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(Cl)CNCCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001167610173 777390161 /nfs/dbraw/zinc/39/01/61/777390161.db2.gz QPKLKWDCDWWAJP-CQSZACIVSA-N 1 3 301.862 2.099 20 30 DEEDHO C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001104679917 778017212 /nfs/dbraw/zinc/01/72/12/778017212.db2.gz MTEKCSXXLOKERA-RCCFBDPRSA-N 1 3 321.509 2.369 20 30 DEEDHO CC[NH+](CC)CCC[C@@H](C)N1CCC(C#N)(C(=O)OC)CC1 ZINC001167834117 778683589 /nfs/dbraw/zinc/68/35/89/778683589.db2.gz HOOIALSFFLQDAS-OAHLLOKOSA-N 1 3 309.454 2.276 20 30 DEEDHO C=CCN(C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)C1CCCCC1 ZINC001161247992 778798409 /nfs/dbraw/zinc/79/84/09/778798409.db2.gz PCCRYVVXWCHJNJ-MRXNPFEDSA-N 1 3 305.466 2.208 20 30 DEEDHO C=CCN(C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)C1CCCCC1 ZINC001161247992 778798417 /nfs/dbraw/zinc/79/84/17/778798417.db2.gz PCCRYVVXWCHJNJ-MRXNPFEDSA-N 1 3 305.466 2.208 20 30 DEEDHO C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001073462961 790672050 /nfs/dbraw/zinc/67/20/50/790672050.db2.gz ZRJZUIDMDCNBBO-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001073462961 790672054 /nfs/dbraw/zinc/67/20/54/790672054.db2.gz ZRJZUIDMDCNBBO-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088129272 779717380 /nfs/dbraw/zinc/71/73/80/779717380.db2.gz FUZKVMIPWUIGFH-FGTMMUONSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088129272 779717383 /nfs/dbraw/zinc/71/73/83/779717383.db2.gz FUZKVMIPWUIGFH-FGTMMUONSA-N 1 3 319.493 2.216 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001088381855 780052224 /nfs/dbraw/zinc/05/22/24/780052224.db2.gz OMJMWXQUVXPYQE-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569062 780495098 /nfs/dbraw/zinc/49/50/98/780495098.db2.gz FWLOOVRNDJYPNG-RYRKJORJSA-N 1 3 319.493 2.406 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569062 780495102 /nfs/dbraw/zinc/49/51/02/780495102.db2.gz FWLOOVRNDJYPNG-RYRKJORJSA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1C ZINC001088702689 780864748 /nfs/dbraw/zinc/86/47/48/780864748.db2.gz CVMPPJCNBPQVPM-CVEARBPZSA-N 1 3 305.466 2.160 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1C ZINC001088702689 780864757 /nfs/dbraw/zinc/86/47/57/780864757.db2.gz CVMPPJCNBPQVPM-CVEARBPZSA-N 1 3 305.466 2.160 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001086085047 784395510 /nfs/dbraw/zinc/39/55/10/784395510.db2.gz PMUZJRBHZPVJQY-ZNMIVQPWSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001086085047 784395519 /nfs/dbraw/zinc/39/55/19/784395519.db2.gz PMUZJRBHZPVJQY-ZNMIVQPWSA-N 1 3 313.873 2.096 20 30 DEEDHO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC000968882039 784636338 /nfs/dbraw/zinc/63/63/38/784636338.db2.gz FWNWMNIRZFYUHC-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC000968882039 784636345 /nfs/dbraw/zinc/63/63/45/784636345.db2.gz FWNWMNIRZFYUHC-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC000968882039 784636349 /nfs/dbraw/zinc/63/63/49/784636349.db2.gz FWNWMNIRZFYUHC-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000968882039 784636351 /nfs/dbraw/zinc/63/63/51/784636351.db2.gz FWNWMNIRZFYUHC-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001109427301 785868701 /nfs/dbraw/zinc/86/87/01/785868701.db2.gz YOXOJCKNKIFXPB-QZWWFDLISA-N 1 3 307.482 2.260 20 30 DEEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001109427301 785868713 /nfs/dbraw/zinc/86/87/13/785868713.db2.gz YOXOJCKNKIFXPB-QZWWFDLISA-N 1 3 307.482 2.260 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001097210127 788020462 /nfs/dbraw/zinc/02/04/62/788020462.db2.gz PDZXRIOXUUDDGK-TVFCKZIOSA-N 1 3 319.493 2.262 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001097210127 788020470 /nfs/dbraw/zinc/02/04/70/788020470.db2.gz PDZXRIOXUUDDGK-TVFCKZIOSA-N 1 3 319.493 2.262 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C ZINC001133275101 788346802 /nfs/dbraw/zinc/34/68/02/788346802.db2.gz PGONJTJEIMGIOT-IAGOWNOFSA-N 1 3 309.498 2.369 20 30 DEEDHO C#CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001170769685 789064027 /nfs/dbraw/zinc/06/40/27/789064027.db2.gz MASJEQBQGZZGME-MRXNPFEDSA-N 1 3 307.482 2.149 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCCC)C2)CC1 ZINC001072096008 790051384 /nfs/dbraw/zinc/05/13/84/790051384.db2.gz RYTLJSOFQCUFKP-FUHWJXTLSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCCC)C2)CC1 ZINC001072096008 790051392 /nfs/dbraw/zinc/05/13/92/790051392.db2.gz RYTLJSOFQCUFKP-FUHWJXTLSA-N 1 3 319.493 2.101 20 30 DEEDHO C[N@@H+]1CC[C@@H](c2ccc(NC(=N)c3ccc(C(N)=O)cc3)cc2)C1 ZINC001171260074 791177059 /nfs/dbraw/zinc/17/70/59/791177059.db2.gz DHQVUCKBKGFXMW-MRXNPFEDSA-N 1 3 322.412 2.242 20 30 DEEDHO C[N@H+]1CC[C@@H](c2ccc(NC(=N)c3ccc(C(N)=O)cc3)cc2)C1 ZINC001171260074 791177065 /nfs/dbraw/zinc/17/70/65/791177065.db2.gz DHQVUCKBKGFXMW-MRXNPFEDSA-N 1 3 322.412 2.242 20 30 DEEDHO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146583524 791315962 /nfs/dbraw/zinc/31/59/62/791315962.db2.gz MHMDOBPDARCLCJ-HZPDHXFCSA-N 1 3 315.461 2.258 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC)CC1 ZINC001146608689 791322206 /nfs/dbraw/zinc/32/22/06/791322206.db2.gz AQAHAFIBFQHBAM-HZPDHXFCSA-N 1 3 307.482 2.005 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(CC)CC ZINC001099536273 792233885 /nfs/dbraw/zinc/23/38/85/792233885.db2.gz KVKZYJXCBOGAMG-MLHJIOFPSA-N 1 3 319.493 2.073 20 30 DEEDHO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(CC)CC ZINC001099536273 792233891 /nfs/dbraw/zinc/23/38/91/792233891.db2.gz KVKZYJXCBOGAMG-MLHJIOFPSA-N 1 3 319.493 2.073 20 30 DEEDHO C#CCC[NH2+]C1CC(CNC(=O)CN(C)CCCCCC)C1 ZINC001100764945 792832020 /nfs/dbraw/zinc/83/20/20/792832020.db2.gz MCTLONBPSJWODH-UHFFFAOYSA-N 1 3 307.482 2.006 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001103663865 794181291 /nfs/dbraw/zinc/18/12/91/794181291.db2.gz YHEFPNGALMSQIL-IAGOWNOFSA-N 1 3 309.498 2.369 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001103663865 794181296 /nfs/dbraw/zinc/18/12/96/794181296.db2.gz YHEFPNGALMSQIL-IAGOWNOFSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CCCC[NH2+]CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001176890077 794523676 /nfs/dbraw/zinc/52/36/76/794523676.db2.gz MBBMVYMJQXDSBS-UHFFFAOYSA-N 1 3 303.450 2.424 20 30 DEEDHO C=C(Cl)C[NH2+]CCCCCCNC(=O)CN(C)C1CCC1 ZINC001178702415 794982239 /nfs/dbraw/zinc/98/22/39/794982239.db2.gz ORSYMWZWUBSBOW-UHFFFAOYSA-N 1 3 315.889 2.489 20 30 DEEDHO N#Cc1cccc(NC(=O)CCNCCC[NH+]2CCCCC2)c1 ZINC001118156176 795159166 /nfs/dbraw/zinc/15/91/66/795159166.db2.gz SQVUCDQHWCVGFP-UHFFFAOYSA-N 1 3 314.433 2.352 20 30 DEEDHO N#Cc1cccc(NC(=O)CC[NH2+]CCCN2CCCCC2)c1 ZINC001118156176 795159179 /nfs/dbraw/zinc/15/91/79/795159179.db2.gz SQVUCDQHWCVGFP-UHFFFAOYSA-N 1 3 314.433 2.352 20 30 DEEDHO C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001122243044 795739101 /nfs/dbraw/zinc/73/91/01/795739101.db2.gz YIQVWICVFIPLNP-APUKJBRXSA-N 1 3 319.493 2.454 20 30 DEEDHO C=CCCC[C@@H](N)C(=O)N1C[C@@H](CC[NH3+])Cc2ccccc21 ZINC001122336292 795748692 /nfs/dbraw/zinc/74/86/92/795748692.db2.gz UZANXMPXZDDROA-GOEBONIOSA-N 1 3 301.434 2.224 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001184577882 796087234 /nfs/dbraw/zinc/08/72/34/796087234.db2.gz QAODRMKOCOXLMI-CVEARBPZSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CC[NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001203041456 796527867 /nfs/dbraw/zinc/52/78/67/796527867.db2.gz FJYNBKFLMQWQGB-UHFFFAOYSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCN1C[C@@H]2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188658973 796698033 /nfs/dbraw/zinc/69/80/33/796698033.db2.gz PUIVXSLETYDSHW-FUHWJXTLSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCN1C[C@@H]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188658973 796698035 /nfs/dbraw/zinc/69/80/35/796698035.db2.gz PUIVXSLETYDSHW-FUHWJXTLSA-N 1 3 319.493 2.360 20 30 DEEDHO C#CCN(CC)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001154099135 797463228 /nfs/dbraw/zinc/46/32/28/797463228.db2.gz BQFRUHDOLCWNDR-OAHLLOKOSA-N 1 3 307.482 2.099 20 30 DEEDHO C#CCN(CC)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001154099135 797463230 /nfs/dbraw/zinc/46/32/30/797463230.db2.gz BQFRUHDOLCWNDR-OAHLLOKOSA-N 1 3 307.482 2.099 20 30 DEEDHO C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2CCCN2CCC)CC1 ZINC001196059981 797997664 /nfs/dbraw/zinc/99/76/64/797997664.db2.gz BVWGQOJYLOPXPN-KRWDZBQOSA-N 1 3 307.482 2.361 20 30 DEEDHO C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2CCC)CC1 ZINC001196059981 797997668 /nfs/dbraw/zinc/99/76/68/797997668.db2.gz BVWGQOJYLOPXPN-KRWDZBQOSA-N 1 3 307.482 2.361 20 30 DEEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001158067269 798336283 /nfs/dbraw/zinc/33/62/83/798336283.db2.gz ZHALIGHYONFMAY-ZWKOTPCHSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001158067269 798336289 /nfs/dbraw/zinc/33/62/89/798336289.db2.gz ZHALIGHYONFMAY-ZWKOTPCHSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCN1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001160132008 798652355 /nfs/dbraw/zinc/65/23/55/798652355.db2.gz ZPIDZBLBSMCROC-ZWKOTPCHSA-N 1 3 317.477 2.185 20 30 DEEDHO C=CCN1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001160132008 798652356 /nfs/dbraw/zinc/65/23/56/798652356.db2.gz ZPIDZBLBSMCROC-ZWKOTPCHSA-N 1 3 317.477 2.185 20 30 DEEDHO CC#CCN1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001160285900 798670651 /nfs/dbraw/zinc/67/06/51/798670651.db2.gz KRLLCWIGYLUFGO-GOSISDBHSA-N 1 3 317.477 2.023 20 30 DEEDHO CC#CCN1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001160285900 798670653 /nfs/dbraw/zinc/67/06/53/798670653.db2.gz KRLLCWIGYLUFGO-GOSISDBHSA-N 1 3 317.477 2.023 20 30 DEEDHO C=CCN1CC=C(CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001160353803 798679288 /nfs/dbraw/zinc/67/92/88/798679288.db2.gz YXJHNHZFPIUFIU-SFHVURJKSA-N 1 3 319.493 2.289 20 30 DEEDHO C=CCN1CC=C(CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160353803 798679292 /nfs/dbraw/zinc/67/92/92/798679292.db2.gz YXJHNHZFPIUFIU-SFHVURJKSA-N 1 3 319.493 2.289 20 30 DEEDHO C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001161133536 798800743 /nfs/dbraw/zinc/80/07/43/798800743.db2.gz KPZQNOOIORGULB-QGZVFWFLSA-N 1 3 307.482 2.287 20 30 DEEDHO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001161133536 798800747 /nfs/dbraw/zinc/80/07/47/798800747.db2.gz KPZQNOOIORGULB-QGZVFWFLSA-N 1 3 307.482 2.287 20 30 DEEDHO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)N(C)C ZINC001114410137 799093013 /nfs/dbraw/zinc/09/30/13/799093013.db2.gz UEHAELKFMCXWKP-VSZNYVQBSA-N 1 3 319.493 2.119 20 30 DEEDHO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)N(C)C ZINC001114410137 799093022 /nfs/dbraw/zinc/09/30/22/799093022.db2.gz UEHAELKFMCXWKP-VSZNYVQBSA-N 1 3 319.493 2.119 20 30 DEEDHO C=C(Cl)C[NH2+]C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001202526856 799106311 /nfs/dbraw/zinc/10/63/11/799106311.db2.gz RFUZCRBLIQQMLO-UHFFFAOYSA-N 1 3 315.889 2.297 20 30 DEEDHO C=C(Cl)CNCCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001163248104 799287295 /nfs/dbraw/zinc/28/72/95/799287295.db2.gz MQWYIZWLUAXPQO-UHFFFAOYSA-N 1 3 323.868 2.253 20 30 DEEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)N(CC)CC)C2 ZINC001111018049 799833336 /nfs/dbraw/zinc/83/33/36/799833336.db2.gz HQTFDBBZRIVWED-NCOADZHNSA-N 1 3 307.482 2.404 20 30 DEEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)N(CC)CC)C2 ZINC001111018049 799833345 /nfs/dbraw/zinc/83/33/45/799833345.db2.gz HQTFDBBZRIVWED-NCOADZHNSA-N 1 3 307.482 2.404 20 30 DEEDHO C=CC[NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203420789 800044651 /nfs/dbraw/zinc/04/46/51/800044651.db2.gz XDVYDXQMZXQFEM-GJZGRUSLSA-N 1 3 307.482 2.167 20 30 DEEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1C ZINC001214610875 801739802 /nfs/dbraw/zinc/73/98/02/801739802.db2.gz GXNPSKFSMXFXDW-ZACQAIPSSA-N 1 3 307.482 2.262 20 30 DEEDHO CNc1ccc(C#N)cc1NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001218981420 802269462 /nfs/dbraw/zinc/26/94/62/802269462.db2.gz RGVXUYCKKXUIQX-AWEZNQCLSA-N 1 3 317.437 2.034 20 30 DEEDHO CC#CC[NH+]1CCC(CNC(=O)CN(C)CCCCCC)CC1 ZINC001224883710 802914235 /nfs/dbraw/zinc/91/42/35/802914235.db2.gz GFVGCODMDQZTDR-UHFFFAOYSA-N 1 3 321.509 2.350 20 30 DEEDHO C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001501677235 1059628733 /nfs/dbraw/zinc/62/87/33/1059628733.db2.gz VEJCEYCAGGAQKU-HNNXBMFYSA-N 1 3 313.445 2.071 20 30 DEEDHO C=CC[NH2+][C@H](C)c1ccc(CNC(=O)CN(C)C(C)C)cc1 ZINC001501681167 1059633116 /nfs/dbraw/zinc/63/31/16/1059633116.db2.gz DBVUETYWZIJQEA-OAHLLOKOSA-N 1 3 303.450 2.480 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001501718286 1059661617 /nfs/dbraw/zinc/66/16/17/1059661617.db2.gz HXVCIHUTSWGVCN-WKILWMFISA-N 1 3 318.465 2.491 20 30 DEEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001506677786 1062269487 /nfs/dbraw/zinc/26/94/87/1062269487.db2.gz GZBHSQYFRIYVCS-RDJZCZTQSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001506817027 1062405909 /nfs/dbraw/zinc/40/59/09/1062405909.db2.gz BUDFGVLORFXAON-TVFCKZIOSA-N 1 3 319.493 2.121 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001506817027 1062405930 /nfs/dbraw/zinc/40/59/30/1062405930.db2.gz BUDFGVLORFXAON-TVFCKZIOSA-N 1 3 319.493 2.121 20 30 DEEDHO C=CCCC[N@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001506866307 1062447695 /nfs/dbraw/zinc/44/76/95/1062447695.db2.gz ULSQLFHMUJAJLW-KRWDZBQOSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCCC[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001506866307 1062447713 /nfs/dbraw/zinc/44/77/13/1062447713.db2.gz ULSQLFHMUJAJLW-KRWDZBQOSA-N 1 3 319.493 2.219 20 30 DEEDHO C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C(C)(C)C ZINC001508020126 1063498732 /nfs/dbraw/zinc/49/87/32/1063498732.db2.gz FNSZEDUTLBRYER-DLBZAZTESA-N 1 3 321.509 2.393 20 30 DEEDHO C=CCN[C@@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001567662619 1064325377 /nfs/dbraw/zinc/32/53/77/1064325377.db2.gz BBZZGWUGHFFEDQ-SFHVURJKSA-N 1 3 315.461 2.351 20 30 DEEDHO C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001568391741 1064830913 /nfs/dbraw/zinc/83/09/13/1064830913.db2.gz AVJCVMMOTKZJIK-AWEZNQCLSA-N 1 3 301.862 2.051 20 30 DEEDHO CC#CC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001495454948 1064918600 /nfs/dbraw/zinc/91/86/00/1064918600.db2.gz GJSKQNRUUWQZQT-QAQDUYKDSA-N 1 3 319.493 2.291 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001496237264 1065358268 /nfs/dbraw/zinc/35/82/68/1065358268.db2.gz BDMWDJZNQMWWEA-OAHLLOKOSA-N 1 3 303.450 2.374 20 30 DEEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001569471152 1065526827 /nfs/dbraw/zinc/52/68/27/1065526827.db2.gz UXMUCISLMFWTDH-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001496914787 1065800745 /nfs/dbraw/zinc/80/07/45/1065800745.db2.gz ARYPTEYRTBFGGX-QZTJIDSGSA-N 1 3 315.461 2.422 20 30 DEEDHO C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001497677856 1066233721 /nfs/dbraw/zinc/23/37/21/1066233721.db2.gz BTBVFXAKIIAIGP-DKRLNXSXSA-N 1 3 311.445 2.037 20 30 DEEDHO C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001498488554 1066741415 /nfs/dbraw/zinc/74/14/15/1066741415.db2.gz IHIKJSKGYQJVTG-JKSUJKDBSA-N 1 3 309.498 2.415 20 30 DEEDHO C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001570550705 1068000644 /nfs/dbraw/zinc/00/06/44/1068000644.db2.gz DCCFGUNGHOQASU-ROUUACIJSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001570550705 1068000658 /nfs/dbraw/zinc/00/06/58/1068000658.db2.gz DCCFGUNGHOQASU-ROUUACIJSA-N 1 3 321.509 2.465 20 30 DEEDHO C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCCN1CC ZINC001267181743 1078645401 /nfs/dbraw/zinc/64/54/01/1078645401.db2.gz NBHXLRBAWRGYAT-QZTJIDSGSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCCN1CC ZINC001267181743 1078645406 /nfs/dbraw/zinc/64/54/06/1078645406.db2.gz NBHXLRBAWRGYAT-QZTJIDSGSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001267298177 1078744892 /nfs/dbraw/zinc/74/48/92/1078744892.db2.gz KPUPKHMEJXXMIB-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001267298177 1078744900 /nfs/dbraw/zinc/74/49/00/1078744900.db2.gz KPUPKHMEJXXMIB-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001483698691 1078819017 /nfs/dbraw/zinc/81/90/17/1078819017.db2.gz UNXWIDPFFRXESC-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001272457467 1078891463 /nfs/dbraw/zinc/89/14/63/1078891463.db2.gz QKDGRRMNOJICRK-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO CC#CC[NH2+][C@@H](C)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001267492396 1078917339 /nfs/dbraw/zinc/91/73/39/1078917339.db2.gz UVXOJKZBTSOLBR-INIZCTEOSA-N 1 3 321.509 2.204 20 30 DEEDHO CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001267568719 1079004501 /nfs/dbraw/zinc/00/45/01/1079004501.db2.gz XDAKXXYUEONHPT-ZWKOTPCHSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001267568719 1079004506 /nfs/dbraw/zinc/00/45/06/1079004506.db2.gz XDAKXXYUEONHPT-ZWKOTPCHSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCCN1CCC)C1CCCC1 ZINC001484000886 1079236828 /nfs/dbraw/zinc/23/68/28/1079236828.db2.gz KJZRYOGZPRQDJL-DLBZAZTESA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001484124926 1079314357 /nfs/dbraw/zinc/31/43/57/1079314357.db2.gz KPBDKVHJSAIWSA-WMZOPIPTSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001267956556 1079636213 /nfs/dbraw/zinc/63/62/13/1079636213.db2.gz JAKOTRKJJXHQMQ-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001267956556 1079636215 /nfs/dbraw/zinc/63/62/15/1079636215.db2.gz JAKOTRKJJXHQMQ-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001484544705 1079653205 /nfs/dbraw/zinc/65/32/05/1079653205.db2.gz ZWEXFENWPMKMIL-KRWDZBQOSA-N 1 3 307.482 2.123 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)C1CCC1 ZINC001656653181 1080110294 /nfs/dbraw/zinc/11/02/94/1080110294.db2.gz WHOCMRUURDJGAF-BPQIPLTHSA-N 1 3 319.493 2.262 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)C1CCC1 ZINC001656653181 1080110298 /nfs/dbraw/zinc/11/02/98/1080110298.db2.gz WHOCMRUURDJGAF-BPQIPLTHSA-N 1 3 319.493 2.262 20 30 DEEDHO C=CCC[NH2+]CC1(NC(=O)Cc2nc[nH]c2C)CCCCC1 ZINC001485456261 1080216770 /nfs/dbraw/zinc/21/67/70/1080216770.db2.gz NTXHIWWROWACLL-UHFFFAOYSA-N 1 3 304.438 2.245 20 30 DEEDHO C#CCC[NH2+]CC1(NC(=O)CN2[C@@H](C)CC[C@@H]2C)CCCCC1 ZINC001485458669 1080227981 /nfs/dbraw/zinc/22/79/81/1080227981.db2.gz DFGSGIPYIBRQFP-IRXDYDNUSA-N 1 3 319.493 2.291 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001485658437 1080350953 /nfs/dbraw/zinc/35/09/53/1080350953.db2.gz VGSUCCZDRJIQAE-ULQDDVLXSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001485658437 1080350960 /nfs/dbraw/zinc/35/09/60/1080350960.db2.gz VGSUCCZDRJIQAE-ULQDDVLXSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)CN1CC[C@H](N(CC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001481774272 1080489893 /nfs/dbraw/zinc/48/98/93/1080489893.db2.gz BCTKSKHSQHRKRZ-KRWDZBQOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001661555419 1080493214 /nfs/dbraw/zinc/49/32/14/1080493214.db2.gz MGWZLSDDLLARGW-NVXWUHKLSA-N 1 3 316.449 2.231 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001661555419 1080493217 /nfs/dbraw/zinc/49/32/17/1080493217.db2.gz MGWZLSDDLLARGW-NVXWUHKLSA-N 1 3 316.449 2.231 20 30 DEEDHO C=CCCC[NH2+]CC1(NC(=O)Cc2nc[nH]c2C)CCCC1 ZINC001665960040 1081103290 /nfs/dbraw/zinc/10/32/90/1081103290.db2.gz ZNVWEBUGUVBTBJ-UHFFFAOYSA-N 1 3 304.438 2.245 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H]2CN(C(=O)CN(C)CCC)CC[C@@H]21 ZINC001667695473 1081275270 /nfs/dbraw/zinc/27/52/70/1081275270.db2.gz XMPPZHRWFRRHHI-IRXDYDNUSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)CCC)CC[C@@H]21 ZINC001667695473 1081275274 /nfs/dbraw/zinc/27/52/74/1081275274.db2.gz XMPPZHRWFRRHHI-IRXDYDNUSA-N 1 3 307.482 2.217 20 30 DEEDHO CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1CCC)C(C)(C)C ZINC001284600055 1081341833 /nfs/dbraw/zinc/34/18/33/1081341833.db2.gz YJFYSJRBERPMSK-JKSUJKDBSA-N 1 3 307.482 2.005 20 30 DEEDHO C#CCC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CCCC1 ZINC001671547795 1081522868 /nfs/dbraw/zinc/52/28/68/1081522868.db2.gz GJWIDCPFFPTWKH-QGZVFWFLSA-N 1 3 319.493 2.149 20 30 DEEDHO C=C(C)CC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CCC1 ZINC001673238417 1081748791 /nfs/dbraw/zinc/74/87/91/1081748791.db2.gz RFPYAVCIPIQJEX-IYBDPMFKSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001270965107 1081857300 /nfs/dbraw/zinc/85/73/00/1081857300.db2.gz AEYGEHCOSLVGPU-WMZOPIPTSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001270965107 1081857301 /nfs/dbraw/zinc/85/73/01/1081857301.db2.gz AEYGEHCOSLVGPU-WMZOPIPTSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001674506642 1081885048 /nfs/dbraw/zinc/88/50/48/1081885048.db2.gz YWLPVFNHILNLDP-MSOLQXFVSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001674506642 1081885054 /nfs/dbraw/zinc/88/50/54/1081885054.db2.gz YWLPVFNHILNLDP-MSOLQXFVSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCCN1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001266328240 1081975631 /nfs/dbraw/zinc/97/56/31/1081975631.db2.gz XMCJYGBQMYGSOS-HNNXBMFYSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCN1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001266328240 1081975632 /nfs/dbraw/zinc/97/56/32/1081975632.db2.gz XMCJYGBQMYGSOS-HNNXBMFYSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266466615 1082054395 /nfs/dbraw/zinc/05/43/95/1082054395.db2.gz RQCPKVXHYHWZKK-DLBZAZTESA-N 1 3 309.498 2.319 20 30 DEEDHO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266466615 1082054402 /nfs/dbraw/zinc/05/44/02/1082054402.db2.gz RQCPKVXHYHWZKK-DLBZAZTESA-N 1 3 309.498 2.319 20 30 DEEDHO C=CCC[N@@H+](C)CCC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001482507396 1082130663 /nfs/dbraw/zinc/13/06/63/1082130663.db2.gz BSGKGXUTAVVMNO-KRWDZBQOSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCC[N@H+](C)CCC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001482507396 1082130665 /nfs/dbraw/zinc/13/06/65/1082130665.db2.gz BSGKGXUTAVVMNO-KRWDZBQOSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC)N(C)C)CCC[C@@H]12 ZINC001107554990 1083478577 /nfs/dbraw/zinc/47/85/77/1083478577.db2.gz PKAUFECMNYEXRA-LZLYRXPVSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)N(C)C)CCC[C@@H]12 ZINC001107554990 1083478585 /nfs/dbraw/zinc/47/85/85/1083478585.db2.gz PKAUFECMNYEXRA-LZLYRXPVSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001276606918 1083511141 /nfs/dbraw/zinc/51/11/41/1083511141.db2.gz CYXOQGJGKQCQKZ-HZPDHXFCSA-N 1 3 309.498 2.365 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001276606918 1083511147 /nfs/dbraw/zinc/51/11/47/1083511147.db2.gz CYXOQGJGKQCQKZ-HZPDHXFCSA-N 1 3 309.498 2.365 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001107646552 1083563393 /nfs/dbraw/zinc/56/33/93/1083563393.db2.gz KDZIYCUUHBHPMT-SJLPKXTDSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001107646552 1083563399 /nfs/dbraw/zinc/56/33/99/1083563399.db2.gz KDZIYCUUHBHPMT-SJLPKXTDSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001235007882 1084269739 /nfs/dbraw/zinc/26/97/39/1084269739.db2.gz RWGWPIGMVLYMQX-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001235007882 1084269751 /nfs/dbraw/zinc/26/97/51/1084269751.db2.gz RWGWPIGMVLYMQX-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCN1CCC ZINC001235007882 1084269759 /nfs/dbraw/zinc/26/97/59/1084269759.db2.gz RWGWPIGMVLYMQX-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCN1CCC ZINC001235007882 1084269772 /nfs/dbraw/zinc/26/97/72/1084269772.db2.gz RWGWPIGMVLYMQX-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCN1CC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001486146244 1085091251 /nfs/dbraw/zinc/09/12/51/1085091251.db2.gz MKQNYRVMWQLEQO-JFIYKMOQSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961235274 1085648679 /nfs/dbraw/zinc/64/86/79/1085648679.db2.gz WIILHMQBLPSRPL-HOTGVXAUSA-N 1 3 316.449 2.089 20 30 DEEDHO C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961235274 1085648680 /nfs/dbraw/zinc/64/86/80/1085648680.db2.gz WIILHMQBLPSRPL-HOTGVXAUSA-N 1 3 316.449 2.089 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963366757 1086428738 /nfs/dbraw/zinc/42/87/38/1086428738.db2.gz MTQFITHVFHJYGT-DOTOQJQBSA-N 1 3 316.449 2.231 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963366757 1086428743 /nfs/dbraw/zinc/42/87/43/1086428743.db2.gz MTQFITHVFHJYGT-DOTOQJQBSA-N 1 3 316.449 2.231 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001274434112 1091243003 /nfs/dbraw/zinc/24/30/03/1091243003.db2.gz BIYQYOGFXDZJHK-MRXNPFEDSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001274434112 1091243010 /nfs/dbraw/zinc/24/30/10/1091243010.db2.gz BIYQYOGFXDZJHK-MRXNPFEDSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN(CCN1CCC2(CCC[N@H+](C)C2)CC1)C(=O)OCC ZINC001274926526 1091476107 /nfs/dbraw/zinc/47/61/07/1091476107.db2.gz BGZHNLYWGCLWPW-UHFFFAOYSA-N 1 3 323.481 2.439 20 30 DEEDHO C=CCN(CCN1CCC2(CCC[N@@H+](C)C2)CC1)C(=O)OCC ZINC001274926526 1091476112 /nfs/dbraw/zinc/47/61/12/1091476112.db2.gz BGZHNLYWGCLWPW-UHFFFAOYSA-N 1 3 323.481 2.439 20 30 DEEDHO C#CCN1CCC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829402 1091960083 /nfs/dbraw/zinc/96/00/83/1091960083.db2.gz MMVPTXHADPJNEK-MSOLQXFVSA-N 1 3 319.493 2.197 20 30 DEEDHO C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001273802411 1092063933 /nfs/dbraw/zinc/06/39/33/1092063933.db2.gz XWVJNQRXYBOGCJ-QGZVFWFLSA-N 1 3 319.493 2.245 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001493125945 1092301894 /nfs/dbraw/zinc/30/18/94/1092301894.db2.gz WXIIXZDBLGWZFG-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001493125945 1092301908 /nfs/dbraw/zinc/30/19/08/1092301908.db2.gz WXIIXZDBLGWZFG-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001488857628 1092782028 /nfs/dbraw/zinc/78/20/28/1092782028.db2.gz CFSHMUPUACIEIG-WKILWMFISA-N 1 3 309.498 2.415 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1CC ZINC001278007994 1138420618 /nfs/dbraw/zinc/42/06/18/1138420618.db2.gz ZEKDPNSJNGAKKG-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO CC#CCN1CCC(C)(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001278093832 1138612507 /nfs/dbraw/zinc/61/25/07/1138612507.db2.gz AXGIABYEDDTTBU-UHFFFAOYSA-N 1 3 319.493 2.247 20 30 DEEDHO C#CCN(C(=O)[C@H](CC)N(C)C)C1CC[NH+](CC=C(C)C)CC1 ZINC001278184671 1138820187 /nfs/dbraw/zinc/82/01/87/1138820187.db2.gz PZTOWUGIAGAWJW-SFHVURJKSA-N 1 3 319.493 2.219 20 30 DEEDHO CC#CCN1CCC2(C[C@H](C)N(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001316667859 1140252574 /nfs/dbraw/zinc/25/25/74/1140252574.db2.gz ARCGBBOMDIWNOW-KRWDZBQOSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCC[NH2+]CCC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001318915486 1140463208 /nfs/dbraw/zinc/46/32/08/1140463208.db2.gz RWMOSRZTWDVZDO-QGZVFWFLSA-N 1 3 309.498 2.367 20 30 DEEDHO CCCCCCCC[C@H](O)C[N@@H+]1CCCC[C@](O)(CN)C1 ZINC001246023346 1140847907 /nfs/dbraw/zinc/84/79/07/1140847907.db2.gz PLLVKXQGHIBWLA-IRXDYDNUSA-N 1 3 300.487 2.274 20 30 DEEDHO CCCCCCCC[C@H](O)C[N@H+]1CCCC[C@](O)(CN)C1 ZINC001246023346 1140847913 /nfs/dbraw/zinc/84/79/13/1140847913.db2.gz PLLVKXQGHIBWLA-IRXDYDNUSA-N 1 3 300.487 2.274 20 30 DEEDHO C=CCCCCCC[C@H](O)CN1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001246031289 1140850094 /nfs/dbraw/zinc/85/00/94/1140850094.db2.gz VSMCOQNLNAXCMB-RBUKOAKNSA-N 1 3 323.525 2.291 20 30 DEEDHO C=CCN1C(=O)CC[C@]12CCC[N@H+](C1CCNCC1)[C@@H]2CC ZINC001246752223 1141049780 /nfs/dbraw/zinc/04/97/80/1141049780.db2.gz GELBJEZUCDZMRK-AEFFLSMTSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CCNCC1)[C@@H]2CC ZINC001246752223 1141049790 /nfs/dbraw/zinc/04/97/90/1141049790.db2.gz GELBJEZUCDZMRK-AEFFLSMTSA-N 1 3 305.466 2.160 20 30 DEEDHO C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001323568759 1141865853 /nfs/dbraw/zinc/86/58/53/1141865853.db2.gz WQTKKYWUJRILKG-INIZCTEOSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC001340626171 1143385051 /nfs/dbraw/zinc/38/50/51/1143385051.db2.gz FGNXULXSEGDVMT-IXDOHACOSA-N 1 3 319.424 2.071 20 30 DEEDHO C=CCO[C@H]1CO[C@]2(C1)CCCN(C1CC[NH+](C3CC3)CC1)C2 ZINC001256077708 1143828486 /nfs/dbraw/zinc/82/84/86/1143828486.db2.gz HRHGFBFRFLNCGI-MOPGFXCFSA-N 1 3 320.477 2.439 20 30 DEEDHO C=CCCC[C@H](N)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC001263093434 1144355205 /nfs/dbraw/zinc/35/52/05/1144355205.db2.gz AQHGZKVMIZBWHX-HNNXBMFYSA-N 1 3 319.453 2.162 20 30 DEEDHO C=C(C)CN1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001264174264 1144496019 /nfs/dbraw/zinc/49/60/19/1144496019.db2.gz YKMZAAHNGSQUFB-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001264518027 1144556013 /nfs/dbraw/zinc/55/60/13/1144556013.db2.gz NVTKITACLZXLIW-DLBZAZTESA-N 1 3 321.509 2.204 20 30 DEEDHO C#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001264518030 1144556187 /nfs/dbraw/zinc/55/61/87/1144556187.db2.gz NVTKITACLZXLIW-SJORKVTESA-N 1 3 321.509 2.204 20 30 DEEDHO C#CCC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)N2CCCC2)C1 ZINC001264679297 1144591666 /nfs/dbraw/zinc/59/16/66/1144591666.db2.gz BIAAAROMELNLRT-QGZVFWFLSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](CC)N(C)C)CC1 ZINC001265333689 1144695097 /nfs/dbraw/zinc/69/50/97/1144695097.db2.gz BMLNRJIAOLPROC-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[NH2+][C@H](CNC(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC001265372385 1144699351 /nfs/dbraw/zinc/69/93/51/1144699351.db2.gz ICWSKGGCUQKOCX-DOTOQJQBSA-N 1 3 307.482 2.311 20 30 DEEDHO CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001265696629 1144730070 /nfs/dbraw/zinc/73/00/70/1144730070.db2.gz JGDULFMPUSUUAJ-MSOLQXFVSA-N 1 3 319.493 2.197 20 30 DEEDHO CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001265696629 1144730076 /nfs/dbraw/zinc/73/00/76/1144730076.db2.gz JGDULFMPUSUUAJ-MSOLQXFVSA-N 1 3 319.493 2.197 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001366424576 1147264657 /nfs/dbraw/zinc/26/46/57/1147264657.db2.gz HBUJSMDOMTXXJF-KGLIPLIRSA-N 1 3 301.862 2.096 20 30 DEEDHO C#CCC[NH2+][C@@H]1CCCCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001316773748 1147577878 /nfs/dbraw/zinc/57/78/78/1147577878.db2.gz PAMBBKTXDDJKNQ-QGZVFWFLSA-N 1 3 321.509 2.348 20 30 DEEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001317064088 1147582718 /nfs/dbraw/zinc/58/27/18/1147582718.db2.gz NVOWFTAQPSOXJB-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001317201947 1147675495 /nfs/dbraw/zinc/67/54/95/1147675495.db2.gz DPQROPZZXKZDNU-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001317201947 1147675497 /nfs/dbraw/zinc/67/54/97/1147675497.db2.gz DPQROPZZXKZDNU-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001317201946 1147675721 /nfs/dbraw/zinc/67/57/21/1147675721.db2.gz DPQROPZZXKZDNU-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001317201946 1147675722 /nfs/dbraw/zinc/67/57/22/1147675722.db2.gz DPQROPZZXKZDNU-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001317509296 1147717941 /nfs/dbraw/zinc/71/79/41/1147717941.db2.gz HTUVVFBDEVIOQJ-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001317509296 1147717942 /nfs/dbraw/zinc/71/79/42/1147717942.db2.gz HTUVVFBDEVIOQJ-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CN(C)CCC)[C@H](C)C1 ZINC001368101037 1148224962 /nfs/dbraw/zinc/22/49/62/1148224962.db2.gz DVXFVDOUPODUPZ-KGLIPLIRSA-N 1 3 301.862 2.050 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000081687373 355444071 /nfs/dbraw/zinc/44/40/71/355444071.db2.gz WDNMEJZHHHJJGL-WBVHZDCISA-N 1 3 305.466 2.018 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000081687373 355444073 /nfs/dbraw/zinc/44/40/73/355444073.db2.gz WDNMEJZHHHJJGL-WBVHZDCISA-N 1 3 305.466 2.018 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000081687374 355444117 /nfs/dbraw/zinc/44/41/17/355444117.db2.gz WDNMEJZHHHJJGL-RDJZCZTQSA-N 1 3 305.466 2.018 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000081687374 355444118 /nfs/dbraw/zinc/44/41/18/355444118.db2.gz WDNMEJZHHHJJGL-RDJZCZTQSA-N 1 3 305.466 2.018 20 30 DEEDHO C[C@H](CCC#N)CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000602451870 360380012 /nfs/dbraw/zinc/38/00/12/360380012.db2.gz BJBTUJWCEMIXDX-KURKYZTESA-N 1 3 306.498 2.417 20 30 DEEDHO C[C@H](CCC#N)CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000602451870 360380015 /nfs/dbraw/zinc/38/00/15/360380015.db2.gz BJBTUJWCEMIXDX-KURKYZTESA-N 1 3 306.498 2.417 20 30 DEEDHO C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001354500961 1151899121 /nfs/dbraw/zinc/89/91/21/1151899121.db2.gz XEQOQFREWZJHIW-QZTJIDSGSA-N 1 3 315.461 2.369 20 30 DEEDHO CN(C)CC[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)C(C)(C)C ZINC000563154594 292034805 /nfs/dbraw/zinc/03/48/05/292034805.db2.gz RDLXLDSAGDFINW-OAHLLOKOSA-N 1 3 314.437 2.057 20 30 DEEDHO CC[C@H](CNC(=[NH2+])Nc1ccc(OC)c(OC)c1)N1CCCC1 ZINC000104166868 402199489 /nfs/dbraw/zinc/19/94/89/402199489.db2.gz OFCFGEZKFLAZFS-CQSZACIVSA-N 1 3 320.437 2.305 20 30 DEEDHO CN(C)C(=[NH2+])NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000178570250 402512736 /nfs/dbraw/zinc/51/27/36/402512736.db2.gz UBLAZMRFJWAPKE-UHFFFAOYSA-N 1 3 308.857 2.428 20 30 DEEDHO CC[C@H](C)[N@H+](C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279393431 402937892 /nfs/dbraw/zinc/93/78/92/402937892.db2.gz AADUTPGXOVQILE-WMLDXEAASA-N 1 3 312.417 2.087 20 30 DEEDHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279393431 402937895 /nfs/dbraw/zinc/93/78/95/402937895.db2.gz AADUTPGXOVQILE-WMLDXEAASA-N 1 3 312.417 2.087 20 30 DEEDHO CN(C)Cc1ccc(C(N)=NOCCC[NH+]2CCCCC2)cc1 ZINC000288457577 403754840 /nfs/dbraw/zinc/75/48/40/403754840.db2.gz GCQGIPXDALWJJO-UHFFFAOYSA-N 1 3 318.465 2.261 20 30 DEEDHO CN1CCC(O)(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000330159175 404568772 /nfs/dbraw/zinc/56/87/72/404568772.db2.gz QSFUTOLPNVWIHB-HNNXBMFYSA-N 1 3 323.481 2.054 20 30 DEEDHO CN1CCC(O)(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000330159175 404568783 /nfs/dbraw/zinc/56/87/83/404568783.db2.gz QSFUTOLPNVWIHB-HNNXBMFYSA-N 1 3 323.481 2.054 20 30 DEEDHO C=CCN1CCC(NC(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000358795930 404775813 /nfs/dbraw/zinc/77/58/13/404775813.db2.gz MZORABPXINJZHG-UHFFFAOYSA-N 1 3 322.497 2.056 20 30 DEEDHO N#CCCC[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000424129992 405017013 /nfs/dbraw/zinc/01/70/13/405017013.db2.gz DUVORUMPKNOXNH-UONOGXRCSA-N 1 3 320.462 2.022 20 30 DEEDHO C=CCN1CCC(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416151754 405037974 /nfs/dbraw/zinc/03/79/74/405037974.db2.gz SEERNUAVDBSKLX-GOSISDBHSA-N 1 3 315.461 2.446 20 30 DEEDHO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@@H]1CCCN1 ZINC000568499892 292344785 /nfs/dbraw/zinc/34/47/85/292344785.db2.gz VBUIEFZDFHHHGG-LYAPFXNSSA-N 1 3 314.433 2.373 20 30 DEEDHO COC1CCN(C2(CNC(=[NH2+])NC(C)(C)C)CCCC2)CC1 ZINC000262509976 225275452 /nfs/dbraw/zinc/27/54/52/225275452.db2.gz CSAIIBHZLJOVHH-UHFFFAOYSA-N 1 3 310.486 2.113 20 30 DEEDHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCSCc1ccccc1C#N ZINC000422984959 230306379 /nfs/dbraw/zinc/30/63/79/230306379.db2.gz BSZQHUOHLQVDNV-JQFCIGGWSA-N 1 3 319.474 2.133 20 30 DEEDHO C=CC[C@@H]1CCCC[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000665392978 425561548 /nfs/dbraw/zinc/56/15/48/425561548.db2.gz KOMUOEBNVQSAQC-IAGOWNOFSA-N 1 3 324.513 2.256 20 30 DEEDHO C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252774 425601624 /nfs/dbraw/zinc/60/16/24/425601624.db2.gz OOQQZZYVVGLUBE-KRWDZBQOSA-N 1 3 302.418 2.204 20 30 DEEDHO C=CC[C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665763420 425641519 /nfs/dbraw/zinc/64/15/19/425641519.db2.gz AAQLQOITFKRMMV-IRXDYDNUSA-N 1 3 324.513 2.256 20 30 DEEDHO C=CC[C@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665763420 425641522 /nfs/dbraw/zinc/64/15/22/425641522.db2.gz AAQLQOITFKRMMV-IRXDYDNUSA-N 1 3 324.513 2.256 20 30 DEEDHO Cc1cc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)ccc1C#N ZINC000444000130 533687917 /nfs/dbraw/zinc/68/79/17/533687917.db2.gz CZHKWVZDESVIDX-QGZVFWFLSA-N 1 3 313.445 2.457 20 30 DEEDHO C=CCN1CCC(NC(=O)N(CC)CCC[NH+](CC)CC)CC1 ZINC000349732207 277857453 /nfs/dbraw/zinc/85/74/53/277857453.db2.gz FMGUPVARGHJQNS-UHFFFAOYSA-N 1 3 324.513 2.400 20 30 DEEDHO CC#CCN1CCCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001329955195 1149023271 /nfs/dbraw/zinc/02/32/71/1149023271.db2.gz ZPVIRMGAWGIRPT-GOSISDBHSA-N 1 3 319.493 2.247 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N(CCC)C2CC[NH2+]CC2)CC1 ZINC000417541772 526583505 /nfs/dbraw/zinc/58/35/05/526583505.db2.gz ROKFKBLKAKSAHN-UHFFFAOYSA-N 1 3 322.497 2.201 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H]([NH2+]C)C1)C(C)C ZINC000417072230 527645521 /nfs/dbraw/zinc/64/55/21/527645521.db2.gz XAWQUCJVPLLTNU-IRXDYDNUSA-N 1 3 322.497 2.078 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CSc2ccccc21 ZINC000263123957 529073541 /nfs/dbraw/zinc/07/35/41/529073541.db2.gz MIAUENJAJRMVRT-ZIAGYGMSSA-N 1 3 318.490 2.265 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001020500025 622743073 /nfs/dbraw/zinc/74/30/73/622743073.db2.gz 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305.466 2.185 20 30 DEEDHO C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC000981825487 635671593 /nfs/dbraw/zinc/67/15/93/635671593.db2.gz HAGCYEGUXMWZSN-INIZCTEOSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC000981825487 635671596 /nfs/dbraw/zinc/67/15/96/635671596.db2.gz HAGCYEGUXMWZSN-INIZCTEOSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1C(C)C ZINC001028181642 635782864 /nfs/dbraw/zinc/78/28/64/635782864.db2.gz XGEXCWUPSQUHCQ-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1C(C)C ZINC001028181642 635782865 /nfs/dbraw/zinc/78/28/65/635782865.db2.gz XGEXCWUPSQUHCQ-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCN1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000982081726 635863234 /nfs/dbraw/zinc/86/32/34/635863234.db2.gz XUNFAOHGAYCAMR-QGZVFWFLSA-N 1 3 307.482 2.361 20 30 DEEDHO C=CCC[N@H+]1CCCN(C(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC000982081726 635863238 /nfs/dbraw/zinc/86/32/38/635863238.db2.gz XUNFAOHGAYCAMR-QGZVFWFLSA-N 1 3 307.482 2.361 20 30 DEEDHO C=CCC[N@@H+]1CCCN(C(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC000982081726 635863240 /nfs/dbraw/zinc/86/32/40/635863240.db2.gz XUNFAOHGAYCAMR-QGZVFWFLSA-N 1 3 307.482 2.361 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000982116070 635874806 /nfs/dbraw/zinc/87/48/06/635874806.db2.gz FHRGCOPTJDLWSJ-IRXDYDNUSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004375750 636403583 /nfs/dbraw/zinc/40/35/83/636403583.db2.gz SKGWIZZQONCFIF-QZTJIDSGSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004375750 636403587 /nfs/dbraw/zinc/40/35/87/636403587.db2.gz SKGWIZZQONCFIF-QZTJIDSGSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779191 636646723 /nfs/dbraw/zinc/64/67/23/636646723.db2.gz JJVVVGGKSNIHFQ-KURKYZTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779191 636646729 /nfs/dbraw/zinc/64/67/29/636646729.db2.gz JJVVVGGKSNIHFQ-KURKYZTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946784231 636650852 /nfs/dbraw/zinc/65/08/52/636650852.db2.gz DNQKWQFNXRZENB-KSZLIROESA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946784231 636650858 /nfs/dbraw/zinc/65/08/58/636650858.db2.gz DNQKWQFNXRZENB-KSZLIROESA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005503204 636753160 /nfs/dbraw/zinc/75/31/60/636753160.db2.gz IUPLPZJZQKWHPG-KRWDZBQOSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005503204 636753163 /nfs/dbraw/zinc/75/31/63/636753163.db2.gz IUPLPZJZQKWHPG-KRWDZBQOSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923309009 637109259 /nfs/dbraw/zinc/10/92/59/637109259.db2.gz HYSWGFODKLJJSL-KRWDZBQOSA-N 1 3 302.418 2.062 20 30 DEEDHO C[NH+]1CCC(CN2CCN(c3ccc(F)cc3C#N)CC2)CC1 ZINC000895841153 638220722 /nfs/dbraw/zinc/22/07/22/638220722.db2.gz DRPDSBLRHFQBHO-UHFFFAOYSA-N 1 3 316.424 2.161 20 30 DEEDHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902871365 643166177 /nfs/dbraw/zinc/16/61/77/643166177.db2.gz MYAMRENZORUWFO-OWCLPIDISA-N 1 3 316.449 2.493 20 30 DEEDHO N#Cc1cccc(CN2CCC([NH2+]C[C@H](N)CC(F)F)CC2)c1 ZINC000903932021 643513321 /nfs/dbraw/zinc/51/33/21/643513321.db2.gz LEIQQAMXXIPSNS-OAHLLOKOSA-N 1 3 322.403 2.095 20 30 DEEDHO N#Cc1sccc1N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903933469 643513968 /nfs/dbraw/zinc/51/39/68/643513968.db2.gz RWHLJPHGWRZMGF-GOOCMWNKSA-N 1 3 316.474 2.272 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000913724539 647018700 /nfs/dbraw/zinc/01/87/00/647018700.db2.gz KLHPYLFRZBTVRV-SFHVURJKSA-N 1 3 315.461 2.193 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC000944446753 649527169 /nfs/dbraw/zinc/52/71/69/649527169.db2.gz VBYIUVUHWOARID-HIFRSBDPSA-N 1 3 304.438 2.053 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC000944446753 649527171 /nfs/dbraw/zinc/52/71/71/649527171.db2.gz VBYIUVUHWOARID-HIFRSBDPSA-N 1 3 304.438 2.053 20 30 DEEDHO CC[C@H](CNC(=[NH2+])Nc1cc(OC)ccc1OC)N1CCCC1 ZINC000303886573 685237880 /nfs/dbraw/zinc/23/78/80/685237880.db2.gz KFTXFAVIJATYOQ-CYBMUJFWSA-N 1 3 320.437 2.305 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000997 688548786 /nfs/dbraw/zinc/54/87/86/688548786.db2.gz NMTHPZJBWGMZBJ-KRWDZBQOSA-N 1 3 315.461 2.376 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000997 688548787 /nfs/dbraw/zinc/54/87/87/688548787.db2.gz NMTHPZJBWGMZBJ-KRWDZBQOSA-N 1 3 315.461 2.376 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033143814 689402767 /nfs/dbraw/zinc/40/27/67/689402767.db2.gz MJXALEGFYZKLRV-DLBZAZTESA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033143814 689402769 /nfs/dbraw/zinc/40/27/69/689402769.db2.gz MJXALEGFYZKLRV-DLBZAZTESA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034328812 689810538 /nfs/dbraw/zinc/81/05/38/689810538.db2.gz DUPYUSFSELJMQU-MSOLQXFVSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001034364860 689824514 /nfs/dbraw/zinc/82/45/14/689824514.db2.gz WXFWBSFIOJRNGA-ULQDDVLXSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001034364860 689824516 /nfs/dbraw/zinc/82/45/16/689824516.db2.gz WXFWBSFIOJRNGA-ULQDDVLXSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000876765018 689930278 /nfs/dbraw/zinc/93/02/78/689930278.db2.gz YHVAAXMSWMOHTR-UONOGXRCSA-N 1 3 315.889 2.473 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000876765018 689930279 /nfs/dbraw/zinc/93/02/79/689930279.db2.gz YHVAAXMSWMOHTR-UONOGXRCSA-N 1 3 315.889 2.473 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001036222966 690295101 /nfs/dbraw/zinc/29/51/01/690295101.db2.gz CTMIAPBSFJGMPY-IAGOWNOFSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001039474644 691115149 /nfs/dbraw/zinc/11/51/49/691115149.db2.gz SNOCAYPXMYHWBD-SJORKVTESA-N 1 3 305.466 2.114 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040394150 691241367 /nfs/dbraw/zinc/24/13/67/691241367.db2.gz IQYBGZBJDPZCER-HKUYNNGSSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040394150 691241370 /nfs/dbraw/zinc/24/13/70/691241370.db2.gz IQYBGZBJDPZCER-HKUYNNGSSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001040727103 691282851 /nfs/dbraw/zinc/28/28/51/691282851.db2.gz OIAVYSMWPDBWIN-KRWDZBQOSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001040849317 691292661 /nfs/dbraw/zinc/29/26/61/691292661.db2.gz QIXZKHOXPJSGLF-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@H]21 ZINC001042188264 691532133 /nfs/dbraw/zinc/53/21/33/691532133.db2.gz RGCKWYPQNSEWBJ-DLBZAZTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@H]21 ZINC001042188264 691532136 /nfs/dbraw/zinc/53/21/36/691532136.db2.gz RGCKWYPQNSEWBJ-DLBZAZTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045942812 692058899 /nfs/dbraw/zinc/05/88/99/692058899.db2.gz AFLUHOYTQRHABV-IEBWSBKVSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045942812 692058902 /nfs/dbraw/zinc/05/89/02/692058902.db2.gz AFLUHOYTQRHABV-IEBWSBKVSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045964915 692064437 /nfs/dbraw/zinc/06/44/37/692064437.db2.gz AATIADUROXHAKG-PKOBYXMFSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045964915 692064440 /nfs/dbraw/zinc/06/44/40/692064440.db2.gz AATIADUROXHAKG-PKOBYXMFSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049531986 692914350 /nfs/dbraw/zinc/91/43/50/692914350.db2.gz FXRWSOSMHHCCAJ-ZACQAIPSSA-N 1 3 307.482 2.214 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049531986 692914353 /nfs/dbraw/zinc/91/43/53/692914353.db2.gz FXRWSOSMHHCCAJ-ZACQAIPSSA-N 1 3 307.482 2.214 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049702208 692968472 /nfs/dbraw/zinc/96/84/72/692968472.db2.gz FXRWSOSMHHCCAJ-BRWVUGGUSA-N 1 3 307.482 2.214 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049702208 692968475 /nfs/dbraw/zinc/96/84/75/692968475.db2.gz FXRWSOSMHHCCAJ-BRWVUGGUSA-N 1 3 307.482 2.214 20 30 DEEDHO C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001050545378 693204382 /nfs/dbraw/zinc/20/43/82/693204382.db2.gz CSXKNAIOOPZNJI-QGZVFWFLSA-N 1 3 319.493 2.217 20 30 DEEDHO N#Cc1cccc(CN2CCC([NH2+][C@H]3C[C@H](N)C34CCC4)CC2)c1 ZINC000925702139 693326694 /nfs/dbraw/zinc/32/66/94/693326694.db2.gz LZLITPOYJWDAFP-OALUTQOASA-N 1 3 324.472 2.382 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001052370014 693517398 /nfs/dbraw/zinc/51/73/98/693517398.db2.gz XVPOWXHVAGSLGT-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001052370014 693517403 /nfs/dbraw/zinc/51/74/03/693517403.db2.gz XVPOWXHVAGSLGT-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001052765435 693615569 /nfs/dbraw/zinc/61/55/69/693615569.db2.gz ZKBHPALONZORGS-QZTJIDSGSA-N 1 3 319.493 2.243 20 30 DEEDHO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001052765435 693615572 /nfs/dbraw/zinc/61/55/72/693615572.db2.gz ZKBHPALONZORGS-QZTJIDSGSA-N 1 3 319.493 2.243 20 30 DEEDHO CCN1CC[C@H]([N@H+](C)C[C@@H](O)c2cccc(C#N)c2)[C@H](C)C1 ZINC001363200573 1153265560 /nfs/dbraw/zinc/26/55/60/1153265560.db2.gz XMDOESCLKZTDMR-FHLIZLRMSA-N 1 3 301.434 2.254 20 30 DEEDHO CCN1CC[C@H]([N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)[C@H](C)C1 ZINC001363200573 1153265563 /nfs/dbraw/zinc/26/55/63/1153265563.db2.gz XMDOESCLKZTDMR-FHLIZLRMSA-N 1 3 301.434 2.254 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001397120475 1160002669 /nfs/dbraw/zinc/00/26/69/1160002669.db2.gz GRXLFAKUWXWUFQ-KKUMJFAQSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001397120475 1160002677 /nfs/dbraw/zinc/00/26/77/1160002677.db2.gz GRXLFAKUWXWUFQ-KKUMJFAQSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CNCC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001400987638 1161856295 /nfs/dbraw/zinc/85/62/95/1161856295.db2.gz IMQOHVBDMWAYFK-CQSZACIVSA-N 1 3 313.873 2.099 20 30 DEEDHO C=C(Cl)CNCC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001400987638 1161856297 /nfs/dbraw/zinc/85/62/97/1161856297.db2.gz IMQOHVBDMWAYFK-CQSZACIVSA-N 1 3 313.873 2.099 20 30 DEEDHO C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001424474868 1173802735 /nfs/dbraw/zinc/80/27/35/1173802735.db2.gz MUIWZGYWFRDMLW-CYBMUJFWSA-N 1 3 301.862 2.050 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001446588256 1184432039 /nfs/dbraw/zinc/43/20/39/1184432039.db2.gz XEFVEALFAWTNQA-OAHLLOKOSA-N 1 3 313.873 2.051 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001089548723 783198007 /nfs/dbraw/zinc/19/80/07/783198007.db2.gz PLSCEOYUURMVAL-OAHLLOKOSA-N 1 3 318.465 2.444 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001089548723 783198013 /nfs/dbraw/zinc/19/80/13/783198013.db2.gz PLSCEOYUURMVAL-OAHLLOKOSA-N 1 3 318.465 2.444 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H]1CC ZINC001087696902 779414072 /nfs/dbraw/zinc/41/40/72/779414072.db2.gz RWNXADOPUCBUQH-IXDOHACOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H]1CC ZINC001087696902 779414074 /nfs/dbraw/zinc/41/40/74/779414074.db2.gz RWNXADOPUCBUQH-IXDOHACOSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC)[C@@H]2CC)CC1 ZINC001087840204 779477811 /nfs/dbraw/zinc/47/78/11/779477811.db2.gz LZHHIMRHTZLUJE-ZWKOTPCHSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCC)[C@@H]2CC)CC1 ZINC001087840204 779477812 /nfs/dbraw/zinc/47/78/12/779477812.db2.gz LZHHIMRHTZLUJE-ZWKOTPCHSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993493 779621265 /nfs/dbraw/zinc/62/12/65/779621265.db2.gz QCXMBVQLHDVCGE-SQNIBIBYSA-N 1 3 319.493 2.073 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993493 779621270 /nfs/dbraw/zinc/62/12/70/779621270.db2.gz QCXMBVQLHDVCGE-SQNIBIBYSA-N 1 3 319.493 2.073 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001086278436 784539954 /nfs/dbraw/zinc/53/99/54/784539954.db2.gz WRHFRIPQRCNUNT-WOVMCDHWSA-N 1 3 315.461 2.422 20 30 DEEDHO CC#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000969002105 784686625 /nfs/dbraw/zinc/68/66/25/784686625.db2.gz KSINSHCBDKKZSA-OKZBNKHCSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000969002105 784686631 /nfs/dbraw/zinc/68/66/31/784686631.db2.gz KSINSHCBDKKZSA-OKZBNKHCSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001008064463 785095631 /nfs/dbraw/zinc/09/56/31/785095631.db2.gz VQTIFEHAUCKIBP-QZTJIDSGSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001008064463 785095641 /nfs/dbraw/zinc/09/56/41/785095641.db2.gz VQTIFEHAUCKIBP-QZTJIDSGSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001108703414 785494017 /nfs/dbraw/zinc/49/40/17/785494017.db2.gz PWNHCENIODUFHK-BBWFWOEESA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001091377160 791123007 /nfs/dbraw/zinc/12/30/07/791123007.db2.gz BXKCPUYGVGSTGI-NRXISQOPSA-N 1 3 313.873 2.098 20 30 DEEDHO C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001158481052 787780674 /nfs/dbraw/zinc/78/06/74/787780674.db2.gz WPXLDYOSXJHVQZ-QGZVFWFLSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001158481052 787780678 /nfs/dbraw/zinc/78/06/78/787780678.db2.gz WPXLDYOSXJHVQZ-QGZVFWFLSA-N 1 3 319.493 2.055 20 30 DEEDHO C=C(C)CN1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071871193 789951224 /nfs/dbraw/zinc/95/12/24/789951224.db2.gz GNHFXKDQULXWCX-RDJZCZTQSA-N 1 3 307.482 2.264 20 30 DEEDHO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001146583748 791310206 /nfs/dbraw/zinc/31/02/06/791310206.db2.gz PAGQFXWAJWANQG-CVEARBPZSA-N 1 3 315.461 2.258 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001086941774 791856680 /nfs/dbraw/zinc/85/66/80/791856680.db2.gz BGESGKNTWOHDEK-DLBZAZTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001086928909 791859664 /nfs/dbraw/zinc/85/96/64/791859664.db2.gz RQOHASGZKTXOED-HZPDHXFCSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071452 791928365 /nfs/dbraw/zinc/92/83/65/791928365.db2.gz WKWJMNXTBSPYRX-LMMKCTJWSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071452 791928368 /nfs/dbraw/zinc/92/83/68/791928368.db2.gz WKWJMNXTBSPYRX-LMMKCTJWSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCC1)C2 ZINC001110161947 793044160 /nfs/dbraw/zinc/04/41/60/793044160.db2.gz ZOUUNJAVCXSEQQ-VSZNYVQBSA-N 1 3 319.493 2.404 20 30 DEEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCC1)C2 ZINC001110161947 793044173 /nfs/dbraw/zinc/04/41/73/793044173.db2.gz ZOUUNJAVCXSEQQ-VSZNYVQBSA-N 1 3 319.493 2.404 20 30 DEEDHO CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001101591212 793253788 /nfs/dbraw/zinc/25/37/88/793253788.db2.gz MATXBMUMTWKIET-UHFFFAOYSA-N 1 3 321.509 2.206 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C(C)(C)N(C)CC)[C@H](C)C1 ZINC001102104051 793505517 /nfs/dbraw/zinc/50/55/17/793505517.db2.gz CLHKBEKITBNLKG-HZPDHXFCSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N(C)CC)[C@H](C)C1 ZINC001102104051 793505523 /nfs/dbraw/zinc/50/55/23/793505523.db2.gz CLHKBEKITBNLKG-HZPDHXFCSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330293 793577707 /nfs/dbraw/zinc/57/77/07/793577707.db2.gz NJRMCGHVTCYPKX-BRWVUGGUSA-N 1 3 309.498 2.223 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330293 793577712 /nfs/dbraw/zinc/57/77/12/793577712.db2.gz NJRMCGHVTCYPKX-BRWVUGGUSA-N 1 3 309.498 2.223 20 30 DEEDHO CC1(C#N)CCC(N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC001173596992 793776922 /nfs/dbraw/zinc/77/69/22/793776922.db2.gz CVJKPCCUVSOFCU-UHFFFAOYSA-N 1 3 304.482 2.172 20 30 DEEDHO C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001175256301 794170330 /nfs/dbraw/zinc/17/03/30/794170330.db2.gz KYQJWNBCHNEOJE-GJZGRUSLSA-N 1 3 315.889 2.488 20 30 DEEDHO CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001176760107 794498817 /nfs/dbraw/zinc/49/88/17/794498817.db2.gz QAXPKXOPVGGYEG-IRXDYDNUSA-N 1 3 307.482 2.149 20 30 DEEDHO C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N(C)C)CCC1)C2 ZINC001112396869 794622664 /nfs/dbraw/zinc/62/26/64/794622664.db2.gz HYEOZDBRVZUNHZ-WMZOPIPTSA-N 1 3 319.493 2.265 20 30 DEEDHO C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)N(C)CC ZINC001177353272 794652884 /nfs/dbraw/zinc/65/28/84/794652884.db2.gz WRHLXWDEYOYUAI-UHFFFAOYSA-N 1 3 321.509 2.348 20 30 DEEDHO C=CCC[NH2+]C1(CNC(=O)[C@@H](C2CC2)N(C)C)CCCCC1 ZINC001115573114 794826460 /nfs/dbraw/zinc/82/64/60/794826460.db2.gz INSOPXQFHBHODF-MRXNPFEDSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCCCCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180131431 795238643 /nfs/dbraw/zinc/23/86/43/795238643.db2.gz DPPSWQJKSFZGBA-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[C@H](N)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC001121988080 795713218 /nfs/dbraw/zinc/71/32/18/795713218.db2.gz HQBMPYGTHVGZTK-KRWDZBQOSA-N 1 3 303.450 2.438 20 30 DEEDHO C=CCCC[C@H](N)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC001121988080 795713223 /nfs/dbraw/zinc/71/32/23/795713223.db2.gz HQBMPYGTHVGZTK-KRWDZBQOSA-N 1 3 303.450 2.438 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001184575107 796086526 /nfs/dbraw/zinc/08/65/26/796086526.db2.gz BJSMCHMJPMJVEO-JKSUJKDBSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001185762140 796311585 /nfs/dbraw/zinc/31/15/85/796311585.db2.gz MRQCAMZHKVDQQE-IAGOWNOFSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203028401 796515309 /nfs/dbraw/zinc/51/53/09/796515309.db2.gz NJOCXMLELXFAPA-LSDHHAIUSA-N 1 3 305.466 2.064 20 30 DEEDHO CC#CCN(CC)[C@H](C)CNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001153819315 797403684 /nfs/dbraw/zinc/40/36/84/797403684.db2.gz WJRHMGBPTVODLH-IAGOWNOFSA-N 1 3 307.482 2.099 20 30 DEEDHO CC#CCN(CC)[C@H](C)CNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001153819315 797403691 /nfs/dbraw/zinc/40/36/91/797403691.db2.gz WJRHMGBPTVODLH-IAGOWNOFSA-N 1 3 307.482 2.099 20 30 DEEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001155883944 797874292 /nfs/dbraw/zinc/87/42/92/797874292.db2.gz RSXIRTSFFYQKPW-SJORKVTESA-N 1 3 309.498 2.203 20 30 DEEDHO C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199787642 798538984 /nfs/dbraw/zinc/53/89/84/798538984.db2.gz CBPOSYLRSXAELK-QGZVFWFLSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN(C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)C1CCCCC1 ZINC001161247991 798816163 /nfs/dbraw/zinc/81/61/63/798816163.db2.gz PCCRYVVXWCHJNJ-INIZCTEOSA-N 1 3 305.466 2.208 20 30 DEEDHO C=CCN(C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)C1CCCCC1 ZINC001161247991 798816166 /nfs/dbraw/zinc/81/61/66/798816166.db2.gz PCCRYVVXWCHJNJ-INIZCTEOSA-N 1 3 305.466 2.208 20 30 DEEDHO C=CCCC[N@H+]1CC=C(CCNC(=O)CN(C)C(C)C)CC1 ZINC001161952298 798977587 /nfs/dbraw/zinc/97/75/87/798977587.db2.gz FXBQMPYXSMGDIO-UHFFFAOYSA-N 1 3 307.482 2.431 20 30 DEEDHO C=CCCC[N@@H+]1CC=C(CCNC(=O)CN(C)C(C)C)CC1 ZINC001161952298 798977589 /nfs/dbraw/zinc/97/75/89/798977589.db2.gz FXBQMPYXSMGDIO-UHFFFAOYSA-N 1 3 307.482 2.431 20 30 DEEDHO C#CC[NH2+][C@H]1C[C@H](NC(=O)CN(C)CCCCCC)C12CCC2 ZINC001203508298 800064079 /nfs/dbraw/zinc/06/40/79/800064079.db2.gz XKZDKLCXSHCYJT-IRXDYDNUSA-N 1 3 319.493 2.149 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203524053 800069115 /nfs/dbraw/zinc/06/91/15/800069115.db2.gz SXQAHYJFKVOJPU-CVEARBPZSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001205526086 800369627 /nfs/dbraw/zinc/36/96/27/800369627.db2.gz CRSAHAJHBQIJBS-OAHLLOKOSA-N 1 3 313.873 2.051 20 30 DEEDHO CCN1C[C@@H]2C[N@@H+](Cc3ccc(N(C)CCC#N)cc3)C[C@@H]2C1 ZINC001231821963 801733761 /nfs/dbraw/zinc/73/37/61/801733761.db2.gz PUUVGMDVGGWXRW-HDICACEKSA-N 1 3 312.461 2.420 20 30 DEEDHO CCN1C[C@@H]2C[N@H+](Cc3ccc(N(C)CCC#N)cc3)C[C@@H]2C1 ZINC001231821963 801733765 /nfs/dbraw/zinc/73/37/65/801733765.db2.gz PUUVGMDVGGWXRW-HDICACEKSA-N 1 3 312.461 2.420 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1C ZINC001214611185 801739311 /nfs/dbraw/zinc/73/93/11/801739311.db2.gz SGTHUQJHTGGYHQ-BRWVUGGUSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCCCCC[C@H](N)C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219704065 802369913 /nfs/dbraw/zinc/36/99/13/802369913.db2.gz WDWHQCPYIZKYJN-SFHVURJKSA-N 1 3 315.461 2.412 20 30 DEEDHO C#CCN1CCC(CNC(=O)CCC[NH+](CCC)CCC)CC1 ZINC001225142533 802939541 /nfs/dbraw/zinc/93/95/41/802939541.db2.gz LIRUPUCIYRURCE-UHFFFAOYSA-N 1 3 321.509 2.350 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1CCC ZINC001226615584 803131590 /nfs/dbraw/zinc/13/15/90/803131590.db2.gz YRAXLELEFKXUGS-BRWVUGGUSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CCCC[NH+]1CCC(NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001227308472 803229911 /nfs/dbraw/zinc/22/99/11/803229911.db2.gz WYSUFGCZVODBPO-QGZVFWFLSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001227703946 803268981 /nfs/dbraw/zinc/26/89/81/803268981.db2.gz OXIIJCGTZNNWQQ-KZNAEPCWSA-N 1 3 319.493 2.454 20 30 DEEDHO C#CCN(C(=O)CN(C)C(C)C)C1CC[NH+](CCCCC)CC1 ZINC001500057612 1058457167 /nfs/dbraw/zinc/45/71/67/1058457167.db2.gz LIVXPWZQOVCJJJ-UHFFFAOYSA-N 1 3 321.509 2.443 20 30 DEEDHO CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001479830873 1061860086 /nfs/dbraw/zinc/86/00/86/1061860086.db2.gz RJNJUMHMVFCUOA-IAGOWNOFSA-N 1 3 321.509 2.347 20 30 DEEDHO C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C(C)(C)C ZINC001508020128 1063499951 /nfs/dbraw/zinc/49/99/51/1063499951.db2.gz FNSZEDUTLBRYER-IAGOWNOFSA-N 1 3 321.509 2.393 20 30 DEEDHO C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001567634824 1064294798 /nfs/dbraw/zinc/29/47/98/1064294798.db2.gz RNKFTTHFVYUOFZ-AEFFLSMTSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001495437943 1064904904 /nfs/dbraw/zinc/90/49/04/1064904904.db2.gz OPHHFAAKDVORPD-QGZVFWFLSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CN(C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001568485405 1064906563 /nfs/dbraw/zinc/90/65/63/1064906563.db2.gz VDKRKGSXNPVUHS-QGZVFWFLSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CN(C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001568485405 1064906577 /nfs/dbraw/zinc/90/65/77/1064906577.db2.gz VDKRKGSXNPVUHS-QGZVFWFLSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]21 ZINC001568514914 1064928774 /nfs/dbraw/zinc/92/87/74/1064928774.db2.gz DNAMSTKLWUAAMU-IAGOWNOFSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]21 ZINC001568514914 1064928783 /nfs/dbraw/zinc/92/87/83/1064928783.db2.gz DNAMSTKLWUAAMU-IAGOWNOFSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001496425150 1065463192 /nfs/dbraw/zinc/46/31/92/1065463192.db2.gz CILFNLKXLOFQIS-HNNXBMFYSA-N 1 3 315.889 2.440 20 30 DEEDHO C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001570005142 1065875173 /nfs/dbraw/zinc/87/51/73/1065875173.db2.gz MEGHQKLCNUFAQP-SJORKVTESA-N 1 3 307.482 2.123 20 30 DEEDHO CC#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001327309154 1148521100 /nfs/dbraw/zinc/52/11/00/1148521100.db2.gz UJFMJVWMICSRDM-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001498658761 1066825835 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DEEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1CCCC ZINC000962268016 1086045242 /nfs/dbraw/zinc/04/52/42/1086045242.db2.gz CKGNTJZNTOTZFE-XDNAFOTISA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1CCCC ZINC000962268016 1086045254 /nfs/dbraw/zinc/04/52/54/1086045254.db2.gz CKGNTJZNTOTZFE-XDNAFOTISA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCN1CC[C@]2(CCC[N@H+]2CC2(CN(C)C)CCCC2)C1=O ZINC001273128139 1086290510 /nfs/dbraw/zinc/29/05/10/1086290510.db2.gz OSYUTYHPYNDEGR-LJQANCHMSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCN1CC[C@]2(CCC[N@@H+]2CC2(CN(C)C)CCCC2)C1=O ZINC001273128139 1086290519 /nfs/dbraw/zinc/29/05/19/1086290519.db2.gz OSYUTYHPYNDEGR-LJQANCHMSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963315771 1086405210 /nfs/dbraw/zinc/40/52/10/1086405210.db2.gz YMKRXIRCSFUKBP-SJORKVTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963315771 1086405213 /nfs/dbraw/zinc/40/52/13/1086405213.db2.gz YMKRXIRCSFUKBP-SJORKVTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049457 1090617158 /nfs/dbraw/zinc/61/71/58/1090617158.db2.gz BIJBMXATMYDQKN-KURKYZTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](F)CN(CC)CC)[C@H]1CC ZINC001489118973 1092929270 /nfs/dbraw/zinc/92/92/70/1092929270.db2.gz UKRMQMKFKABKAZ-OWCLPIDISA-N 1 3 313.461 2.212 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](F)CN(CC)CC)[C@H]1CC ZINC001489118973 1092929277 /nfs/dbraw/zinc/92/92/77/1092929277.db2.gz UKRMQMKFKABKAZ-OWCLPIDISA-N 1 3 313.461 2.212 20 30 DEEDHO C=CCC[NH2+][C@H](CNC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001490664368 1093473279 /nfs/dbraw/zinc/47/32/79/1093473279.db2.gz IKJMJRDQIMMNHH-MRXNPFEDSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001316656635 1139233450 /nfs/dbraw/zinc/23/34/50/1139233450.db2.gz DSPCUPSOADXUIF-JKSUJKDBSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCCN2CCC)CC1 ZINC001318567476 1140365369 /nfs/dbraw/zinc/36/53/69/1140365369.db2.gz LNLIQPGGWFXLFR-KRWDZBQOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001319693333 1140667028 /nfs/dbraw/zinc/66/70/28/1140667028.db2.gz BPQFVBIJBXWIGP-HZPDHXFCSA-N 1 3 309.498 2.367 20 30 DEEDHO C[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CN1 ZINC001246359315 1140888257 /nfs/dbraw/zinc/88/82/57/1140888257.db2.gz AMYLCHZCLIPIKE-DNVCBOLYSA-N 1 3 312.461 2.253 20 30 DEEDHO C[C@@H]1CC[C@@H](NC2CCN(Cc3ccccc3C#N)CC2)C[NH2+]1 ZINC001246359315 1140888258 /nfs/dbraw/zinc/88/82/58/1140888258.db2.gz AMYLCHZCLIPIKE-DNVCBOLYSA-N 1 3 312.461 2.253 20 30 DEEDHO C#CCN(C(=O)CN(C)CCC)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001324439484 1142077269 /nfs/dbraw/zinc/07/72/69/1142077269.db2.gz JDQNDBFCXGDZEB-QGZVFWFLSA-N 1 3 321.509 2.301 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCC)C2)CC1 ZINC001264492634 1144546379 /nfs/dbraw/zinc/54/63/79/1144546379.db2.gz XZSANRPWLXRELJ-FUHWJXTLSA-N 1 3 319.493 2.006 20 30 DEEDHO C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001265390588 1144701458 /nfs/dbraw/zinc/70/14/58/1144701458.db2.gz ILHMMLDBECXJMN-DLBZAZTESA-N 1 3 309.498 2.463 20 30 DEEDHO C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001265390588 1144701462 /nfs/dbraw/zinc/70/14/62/1144701462.db2.gz ILHMMLDBECXJMN-DLBZAZTESA-N 1 3 309.498 2.463 20 30 DEEDHO C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001280074077 1144831810 /nfs/dbraw/zinc/83/18/10/1144831810.db2.gz SRBANGXRBIDIOU-AWEZNQCLSA-N 1 3 313.873 2.051 20 30 DEEDHO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](F)CN(CC)CC ZINC001282667257 1145118908 /nfs/dbraw/zinc/11/89/08/1145118908.db2.gz PHOOMLPDRXMQJM-HZPDHXFCSA-N 1 3 313.461 2.213 20 30 DEEDHO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](F)CN(CC)CC ZINC001282667257 1145118918 /nfs/dbraw/zinc/11/89/18/1145118918.db2.gz PHOOMLPDRXMQJM-HZPDHXFCSA-N 1 3 313.461 2.213 20 30 DEEDHO CC#CCN1CCC([C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001284720205 1145894971 /nfs/dbraw/zinc/89/49/71/1145894971.db2.gz WLZYZWKUFAGFBJ-WMZOPIPTSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CCC([C@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001284720205 1145894974 /nfs/dbraw/zinc/89/49/74/1145894974.db2.gz WLZYZWKUFAGFBJ-WMZOPIPTSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCC[NH+]1CCC(C2(NC(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC001284846343 1145936881 /nfs/dbraw/zinc/93/68/81/1145936881.db2.gz OMROPDQFBFSXPD-INIZCTEOSA-N 1 3 319.493 2.265 20 30 DEEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001317064095 1147582573 /nfs/dbraw/zinc/58/25/73/1147582573.db2.gz NVOWFTAQPSOXJB-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001316877354 1147619322 /nfs/dbraw/zinc/61/93/22/1147619322.db2.gz JXTRXKBDBPNTID-SJORKVTESA-N 1 3 321.509 2.347 20 30 DEEDHO CC#CCN(CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001316927388 1147633259 /nfs/dbraw/zinc/63/32/59/1147633259.db2.gz OJCFCANGLYDTIE-SFHVURJKSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCNC[C@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001317200601 1147675170 /nfs/dbraw/zinc/67/51/70/1147675170.db2.gz RZRBQBDWXBTSEN-QZTJIDSGSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CN(C)C2CCC2)CC1 ZINC001325656006 1147977912 /nfs/dbraw/zinc/97/79/12/1147977912.db2.gz JLLQFRZAXHDICI-QAQDUYKDSA-N 1 3 319.493 2.006 20 30 DEEDHO C=CCCC[C@@H](N)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC001353469117 1151832570 /nfs/dbraw/zinc/83/25/70/1151832570.db2.gz NZQCMFKXOYYAFI-MRXNPFEDSA-N 1 3 305.422 2.249 20 30 DEEDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cccc(C#N)c1 ZINC000181857385 199363202 /nfs/dbraw/zinc/36/32/02/199363202.db2.gz HCBPIXLSMWZRFS-OAHLLOKOSA-N 1 3 300.450 2.235 20 30 DEEDHO N#CCCC[C@@H](N)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000424155230 283051905 /nfs/dbraw/zinc/05/19/05/283051905.db2.gz MOKMSWNFNFLBCL-IAGOWNOFSA-N 1 3 320.481 2.122 20 30 DEEDHO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H](N)CCCCC#N ZINC000594436634 358270251 /nfs/dbraw/zinc/27/02/51/358270251.db2.gz PALBODIEGXIFBF-INIZCTEOSA-N 1 3 308.470 2.121 20 30 DEEDHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H](N)CCCCC#N ZINC000594436634 358270254 /nfs/dbraw/zinc/27/02/54/358270254.db2.gz PALBODIEGXIFBF-INIZCTEOSA-N 1 3 308.470 2.121 20 30 DEEDHO CC(C)[C@@H](CNC(=O)[C@@H](N)CCCCC#N)[NH+]1CCC(C)CC1 ZINC000594442032 358272183 /nfs/dbraw/zinc/27/21/83/358272183.db2.gz ZTHWIMQJUORUPT-DLBZAZTESA-N 1 3 322.497 2.270 20 30 DEEDHO C[NH+](C)CCOc1ccccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598719821 359303995 /nfs/dbraw/zinc/30/39/95/359303995.db2.gz JIZVWJKWWZSXCP-MRXNPFEDSA-N 1 3 319.449 2.017 20 30 DEEDHO C[N@H+](CCCN1CCCC1)CCC(=O)Nc1ccc(C#N)cc1 ZINC000281178050 216133235 /nfs/dbraw/zinc/13/32/35/216133235.db2.gz ARCUBVXTKWJTRF-UHFFFAOYSA-N 1 3 314.433 2.305 20 30 DEEDHO C[N@@H+](CCCN1CCCC1)CCC(=O)Nc1ccc(C#N)cc1 ZINC000281178050 216133238 /nfs/dbraw/zinc/13/32/38/216133238.db2.gz ARCUBVXTKWJTRF-UHFFFAOYSA-N 1 3 314.433 2.305 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1CCC[NH2+]CC1)C(C)C ZINC000669385678 540823150 /nfs/dbraw/zinc/82/31/50/540823150.db2.gz VUWIHQDUHBCCRS-IRXDYDNUSA-N 1 3 322.497 2.126 20 30 DEEDHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(C#N)c1 ZINC000282497287 217041192 /nfs/dbraw/zinc/04/11/92/217041192.db2.gz XWQAODWIYJCCJA-HNNXBMFYSA-N 1 3 300.450 2.235 20 30 DEEDHO C=C(C)C[NH+]1CCC(NCc2ccc(-n3cncn3)cc2)CC1 ZINC000106245500 402212418 /nfs/dbraw/zinc/21/24/18/402212418.db2.gz FQACMSUTDOTYQS-UHFFFAOYSA-N 1 3 311.433 2.397 20 30 DEEDHO CC[NH+]=C(NCc1cnc(C)s1)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000158295582 402303721 /nfs/dbraw/zinc/30/37/21/402303721.db2.gz UAGOOGYDPLMZFH-WFASDCNBSA-N 1 3 323.510 2.235 20 30 DEEDHO C[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000158335196 402304385 /nfs/dbraw/zinc/30/43/85/402304385.db2.gz WOCGIDOCMATEPP-SMDDNHRTSA-N 1 3 323.510 2.154 20 30 DEEDHO C=CCN1CCC(NC(=O)N(CC[NH+](C)C)C2CCCC2)CC1 ZINC000176981888 402356607 /nfs/dbraw/zinc/35/66/07/402356607.db2.gz JJLISMBAKCWSPK-UHFFFAOYSA-N 1 3 322.497 2.153 20 30 DEEDHO C#CCOc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000268409627 403080798 /nfs/dbraw/zinc/08/07/98/403080798.db2.gz HFYOLEUGFXWTPB-UHFFFAOYSA-N 1 3 316.445 2.024 20 30 DEEDHO COCC[N@H+](C)CCCNCc1ccc(N(C)CCC#N)cc1 ZINC000298388104 403371718 /nfs/dbraw/zinc/37/17/18/403371718.db2.gz FDEBWIVKCNSNQO-UHFFFAOYSA-N 1 3 318.465 2.094 20 30 DEEDHO COCC[N@@H+](C)CCCNCc1ccc(N(C)CCC#N)cc1 ZINC000298388104 403371723 /nfs/dbraw/zinc/37/17/23/403371723.db2.gz FDEBWIVKCNSNQO-UHFFFAOYSA-N 1 3 318.465 2.094 20 30 DEEDHO C#CCN(C)CCC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000295090398 403757107 /nfs/dbraw/zinc/75/71/07/403757107.db2.gz UVULZCKJHIVWNU-KRWDZBQOSA-N 1 3 317.477 2.233 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1CC)C(C)C ZINC000353451050 404834541 /nfs/dbraw/zinc/83/45/41/404834541.db2.gz PHJBBUCKYUYRFF-YESZJQIVSA-N 1 3 307.482 2.189 20 30 DEEDHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](N)CCCC#N)cc1 ZINC000424129419 405015173 /nfs/dbraw/zinc/01/51/73/405015173.db2.gz DICOPTOQITYFLM-QGZVFWFLSA-N 1 3 316.449 2.166 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)C(C)C ZINC000417059165 405022032 /nfs/dbraw/zinc/02/20/32/405022032.db2.gz HLXVGOXVROZKBO-SJLPKXTDSA-N 1 3 322.497 2.065 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCCCC[NH2+]1)C(C)C ZINC000515654268 406075018 /nfs/dbraw/zinc/07/50/18/406075018.db2.gz KTXGJEIPMARVRQ-IAGOWNOFSA-N 1 3 307.482 2.333 20 30 DEEDHO C=CCc1ccccc1OC[C@H](O)CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000569803961 406304420 /nfs/dbraw/zinc/30/44/20/406304420.db2.gz GTCPLBAIUWYVEC-RYQLBKOJSA-N 1 3 318.461 2.227 20 30 DEEDHO C=CCc1ccccc1OC[C@H](O)CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000569803961 406304422 /nfs/dbraw/zinc/30/44/22/406304422.db2.gz GTCPLBAIUWYVEC-RYQLBKOJSA-N 1 3 318.461 2.227 20 30 DEEDHO N#Cc1cccnc1OC1CCC([NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000571550761 406535103 /nfs/dbraw/zinc/53/51/03/406535103.db2.gz WVTQSJFTYCCPCP-LYAPFXNSSA-N 1 3 314.433 2.360 20 30 DEEDHO C=CC[C@@H]1CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000661379748 425395525 /nfs/dbraw/zinc/39/55/25/425395525.db2.gz ICQOQYCJTASOGH-MRXNPFEDSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000653110663 425408125 /nfs/dbraw/zinc/40/81/25/425408125.db2.gz PZMRQDIWECJCIR-SJORKVTESA-N 1 3 307.482 2.191 20 30 DEEDHO CCO[C@@H](CC[NH+](C)C)CN[C@H]1CCc2ccc(C#N)cc21 ZINC000353241166 276335510 /nfs/dbraw/zinc/33/55/10/276335510.db2.gz LBFXGWRLSITUIG-WMZOPIPTSA-N 1 3 301.434 2.492 20 30 DEEDHO C=CC[C@H](CO)CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423018527 276909730 /nfs/dbraw/zinc/90/97/30/276909730.db2.gz RJPQACGURVOKOV-LESCRADOSA-N 1 3 302.418 2.017 20 30 DEEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](C)NC[C@@H]1C)C(C)C ZINC000417072279 277851153 /nfs/dbraw/zinc/85/11/53/277851153.db2.gz XEDYXCFWSJMDJG-YESZJQIVSA-N 1 3 322.497 2.077 20 30 DEEDHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000329800391 288125369 /nfs/dbraw/zinc/12/53/69/288125369.db2.gz INESAEMIGJZIPQ-IUODEOHRSA-N 1 3 322.497 2.282 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCCN1C)C(C)C ZINC001378378346 1152310135 /nfs/dbraw/zinc/31/01/35/1152310135.db2.gz HVXXWDMTFGSBJP-LSDHHAIUSA-N 1 3 315.889 2.296 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001089056803 782141663 /nfs/dbraw/zinc/14/16/63/782141663.db2.gz VRSXWMFNGWUWBM-PBHICJAKSA-N 1 3 301.434 2.127 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCC[C@H]1C[NH3+])C(C)C ZINC000340123915 527649457 /nfs/dbraw/zinc/64/94/57/527649457.db2.gz ZNNACLBCAJSSDM-YESZJQIVSA-N 1 3 307.482 2.176 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC2(CCCCC2)O1 ZINC000262357568 529101428 /nfs/dbraw/zinc/10/14/28/529101428.db2.gz JPIINMWTCYUMGQ-HOTGVXAUSA-N 1 3 322.497 2.257 20 30 DEEDHO COc1ccccc1CNC(=[NH2+])NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000170913308 625472557 /nfs/dbraw/zinc/47/25/57/625472557.db2.gz UUXLXMBQYWFXLY-CABCVRRESA-N 1 3 318.465 2.220 20 30 DEEDHO C#CC[NH2+]C1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001026609907 625562610 /nfs/dbraw/zinc/56/26/10/625562610.db2.gz YKGIXTNUCCZIEL-UHFFFAOYSA-N 1 3 313.445 2.012 20 30 DEEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969833092 622942526 /nfs/dbraw/zinc/94/25/26/622942526.db2.gz LPNGSHFCIHHWDU-YJBOKZPZSA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969833092 622942531 /nfs/dbraw/zinc/94/25/31/622942531.db2.gz LPNGSHFCIHHWDU-YJBOKZPZSA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000970025905 623066052 /nfs/dbraw/zinc/06/60/52/623066052.db2.gz ALNHCBUOAMLDTR-RDJZCZTQSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000970025905 623066057 /nfs/dbraw/zinc/06/60/57/623066057.db2.gz ALNHCBUOAMLDTR-RDJZCZTQSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670228 623929342 /nfs/dbraw/zinc/92/93/42/623929342.db2.gz JMVLBASDNAWVAZ-IRXDYDNUSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670228 623929349 /nfs/dbraw/zinc/92/93/49/623929349.db2.gz JMVLBASDNAWVAZ-IRXDYDNUSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCN1CCC(NC(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000891522506 624467453 /nfs/dbraw/zinc/46/74/53/624467453.db2.gz QYHDZTPXBVSQTF-SFHVURJKSA-N 1 3 322.497 2.043 20 30 DEEDHO C[NH+]=C(NCc1ccoc1)NC[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000176322154 624711823 /nfs/dbraw/zinc/71/18/23/624711823.db2.gz KHFJYXKJXGNFGJ-PBHICJAKSA-N 1 3 306.454 2.455 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001023363887 625238543 /nfs/dbraw/zinc/23/85/43/625238543.db2.gz DXENGVNAERORBV-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001023363887 625238553 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C#CCCN(C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001568493367 1064907826 /nfs/dbraw/zinc/90/78/26/1064907826.db2.gz QYFUKKTZEDFBJP-GOSISDBHSA-N 1 3 319.493 2.197 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCCN1C(C)C ZINC001495581395 1064991166 /nfs/dbraw/zinc/99/11/66/1064991166.db2.gz OWBVIRQBDHFFIW-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO CC#CC[NH+]1CCC(C)(CNC(=O)C(C)(C)N2CCCC2)CC1 ZINC001569703828 1065680086 /nfs/dbraw/zinc/68/00/86/1065680086.db2.gz YFGMIJBIRSWJCI-UHFFFAOYSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCN1C[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001569920498 1065823115 /nfs/dbraw/zinc/82/31/15/1065823115.db2.gz QXTREOWRIUUURN-YESZJQIVSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCCCN1CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001499094990 1067089474 /nfs/dbraw/zinc/08/94/74/1067089474.db2.gz HPCMTNPTADTJPB-SFHVURJKSA-N 1 3 319.493 2.265 20 30 DEEDHO C=CCN(C)CCN(C(=O)C1CC[NH+](CC2CC2)CC1)C(C)C ZINC001571616096 1068442062 /nfs/dbraw/zinc/44/20/62/1068442062.db2.gz QIUKBHMKBKJNNC-UHFFFAOYSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CC[N@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001483817520 1079131587 /nfs/dbraw/zinc/13/15/87/1079131587.db2.gz PDRFLXGMOXKCNK-MRXNPFEDSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001483817520 1079131594 /nfs/dbraw/zinc/13/15/94/1079131594.db2.gz PDRFLXGMOXKCNK-MRXNPFEDSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001483832696 1079142891 /nfs/dbraw/zinc/14/28/91/1079142891.db2.gz MQUCBTUAHLCYOO-GOSISDBHSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001483832696 1079142905 /nfs/dbraw/zinc/14/29/05/1079142905.db2.gz MQUCBTUAHLCYOO-GOSISDBHSA-N 1 3 307.482 2.217 20 30 DEEDHO CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)CCC)C2 ZINC001484022779 1079248662 /nfs/dbraw/zinc/24/86/62/1079248662.db2.gz OSGBCJOLEDJYFP-LJQANCHMSA-N 1 3 319.493 2.056 20 30 DEEDHO CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)CCC)C2 ZINC001484022779 1079248672 /nfs/dbraw/zinc/24/86/72/1079248672.db2.gz OSGBCJOLEDJYFP-LJQANCHMSA-N 1 3 319.493 2.056 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001646806190 1074627383 /nfs/dbraw/zinc/62/73/83/1074627383.db2.gz MKFNRVMASYEIET-ZFWWWQNUSA-N 1 3 313.873 2.085 20 30 DEEDHO C=C(C)CC[NH2+]CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001267915465 1079597932 /nfs/dbraw/zinc/59/79/32/1079597932.db2.gz IOEYFZHOJGCYIN-UHFFFAOYSA-N 1 3 304.438 2.137 20 30 DEEDHO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001484771963 1079787555 /nfs/dbraw/zinc/78/75/55/1079787555.db2.gz JDFKJSUOKKWKDQ-QZTJIDSGSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001484771963 1079787551 /nfs/dbraw/zinc/78/75/51/1079787551.db2.gz JDFKJSUOKKWKDQ-QZTJIDSGSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CCN1CC2(C1)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2 ZINC001268046063 1079937892 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DEEDHO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)CN(CC)CC)C(C)(C)C1 ZINC001485570369 1080303038 /nfs/dbraw/zinc/30/30/38/1080303038.db2.gz BUMXYWRYAVDVAU-LSDHHAIUSA-N 1 3 313.461 2.069 20 30 DEEDHO CC#CCN(C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001662868079 1080670209 /nfs/dbraw/zinc/67/02/09/1080670209.db2.gz QMHWMNLFJJSGGA-SFHVURJKSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CCC[N@H+](CC)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001663423475 1080746400 /nfs/dbraw/zinc/74/64/00/1080746400.db2.gz TWTTWOIBKOVEFO-QGZVFWFLSA-N 1 3 313.461 2.213 20 30 DEEDHO C=CCC[N@@H+](CC)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001663423475 1080746410 /nfs/dbraw/zinc/74/64/10/1080746410.db2.gz TWTTWOIBKOVEFO-QGZVFWFLSA-N 1 3 313.461 2.213 20 30 DEEDHO C=C(C)CN[C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001664588381 1080928935 /nfs/dbraw/zinc/92/89/35/1080928935.db2.gz TUJXBZIIPMSJNJ-SFHVURJKSA-N 1 3 315.461 2.351 20 30 DEEDHO C=C(C)CN[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001664599521 1080932246 /nfs/dbraw/zinc/93/22/46/1080932246.db2.gz SHEMCDWOYPDXOW-SJLPKXTDSA-N 1 3 315.461 2.351 20 30 DEEDHO C=C(C)CN[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001664599521 1080932253 /nfs/dbraw/zinc/93/22/53/1080932253.db2.gz SHEMCDWOYPDXOW-SJLPKXTDSA-N 1 3 315.461 2.351 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1nc[nH]c1C ZINC001268771060 1080979672 /nfs/dbraw/zinc/97/96/72/1080979672.db2.gz QCZXUVNSNWLNBE-CVEARBPZSA-N 1 3 318.465 2.491 20 30 DEEDHO C#CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001482420765 1081810027 /nfs/dbraw/zinc/81/00/27/1081810027.db2.gz FNMGALHLEGYHOG-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001266909288 1082447354 /nfs/dbraw/zinc/44/73/54/1082447354.db2.gz LQTMHLJBFCWEBF-JCYILVPMSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CN(CC)CC)CCC[C@@H]12 ZINC001107582793 1083493559 /nfs/dbraw/zinc/49/35/59/1083493559.db2.gz WBZHVDVRQVBHHC-SJLPKXTDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@H+]1CC[C@@]2(CNC(=O)CN(CC)CC)CCC[C@@H]12 ZINC001107582793 1083493560 /nfs/dbraw/zinc/49/35/60/1083493560.db2.gz WBZHVDVRQVBHHC-SJLPKXTDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]c3C)CCC[C@@H]12 ZINC001107620927 1083529606 /nfs/dbraw/zinc/52/96/06/1083529606.db2.gz GKNMZWIKKCKIPG-SJLPKXTDSA-N 1 3 316.449 2.198 20 30 DEEDHO C=CCC[N@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]c3C)CCC[C@@H]12 ZINC001107620927 1083529613 /nfs/dbraw/zinc/52/96/13/1083529613.db2.gz GKNMZWIKKCKIPG-SJLPKXTDSA-N 1 3 316.449 2.198 20 30 DEEDHO C=CC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001078700090 1084815448 /nfs/dbraw/zinc/81/54/48/1084815448.db2.gz GPCWDLLHUJEFJN-CABCVRRESA-N 1 3 305.466 2.064 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961443855 1085735712 /nfs/dbraw/zinc/73/57/12/1085735712.db2.gz XJYZPVHGZOGKIE-SFHVURJKSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961443855 1085735719 /nfs/dbraw/zinc/73/57/19/1085735719.db2.gz XJYZPVHGZOGKIE-SFHVURJKSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000957517606 1088370466 /nfs/dbraw/zinc/37/04/66/1088370466.db2.gz YMOJYGOGMADQQK-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001080021587 1088565009 /nfs/dbraw/zinc/56/50/09/1088565009.db2.gz GTTAJJFDRAGOON-ZACQAIPSSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001080021587 1088565014 /nfs/dbraw/zinc/56/50/14/1088565014.db2.gz GTTAJJFDRAGOON-ZACQAIPSSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@@H]21 ZINC001085014278 1090590003 /nfs/dbraw/zinc/59/00/03/1090590003.db2.gz QRCLZWMVBMOZHR-KURKYZTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@@H]21 ZINC001085014278 1090590011 /nfs/dbraw/zinc/59/00/11/1090590011.db2.gz QRCLZWMVBMOZHR-KURKYZTESA-N 1 3 319.493 2.217 20 30 DEEDHO C[NH+](C)CCN1CC2(C1)CCCN(Cc1cccc(C#N)c1)C2 ZINC001275290222 1091654638 /nfs/dbraw/zinc/65/46/38/1091654638.db2.gz ADPMBNYQVNXZJK-UHFFFAOYSA-N 1 3 312.461 2.018 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000948771821 1091927975 /nfs/dbraw/zinc/92/79/75/1091927975.db2.gz QPOIHYKDTWFEPD-QGZVFWFLSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000948771821 1091927985 /nfs/dbraw/zinc/92/79/85/1091927985.db2.gz QPOIHYKDTWFEPD-QGZVFWFLSA-N 1 3 319.493 2.055 20 30 DEEDHO CSc1nc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc1C#N ZINC001236320554 1138351231 /nfs/dbraw/zinc/35/12/31/1138351231.db2.gz PZUFXAJZQISODG-OKILXGFUSA-N 1 3 302.447 2.107 20 30 DEEDHO C=CCC[NH2+]Cc1ccc(CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001319000131 1140489149 /nfs/dbraw/zinc/48/91/49/1140489149.db2.gz KRDQGEOAISPUQX-INIZCTEOSA-N 1 3 315.461 2.310 20 30 DEEDHO C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CCN1 ZINC001246360229 1140888441 /nfs/dbraw/zinc/88/84/41/1140888441.db2.gz GOIWLUTUEWYBER-KXBFYZLASA-N 1 3 312.461 2.253 20 30 DEEDHO C=CC[N@H+](CC1CC1)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001323735676 1141881938 /nfs/dbraw/zinc/88/19/38/1141881938.db2.gz BTZZJWLDPIBJFW-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@@H+](CC1CC1)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001323735676 1141881940 /nfs/dbraw/zinc/88/19/40/1141881940.db2.gz BTZZJWLDPIBJFW-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001341701325 1143671215 /nfs/dbraw/zinc/67/12/15/1143671215.db2.gz OIROUBYLPGJXJZ-ZWKOTPCHSA-N 1 3 315.461 2.451 20 30 DEEDHO C=CCCC[C@@H](N)C(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001341894274 1143736738 /nfs/dbraw/zinc/73/67/38/1143736738.db2.gz VWAOWSCDCMJLCL-NXHRZFHOSA-N 1 3 305.466 2.004 20 30 DEEDHO C=CCCC[C@@H](N)C(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001341894274 1143736752 /nfs/dbraw/zinc/73/67/52/1143736752.db2.gz VWAOWSCDCMJLCL-NXHRZFHOSA-N 1 3 305.466 2.004 20 30 DEEDHO [NH2+]=C(NC1CCC(N2CCOCC2)CC1)c1ccc(Cl)cn1 ZINC001256679632 1143861821 /nfs/dbraw/zinc/86/18/21/1143861821.db2.gz PIOLOQFZYMVTFD-UHFFFAOYSA-N 1 3 322.840 2.084 20 30 DEEDHO C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001264464281 1144543637 /nfs/dbraw/zinc/54/36/37/1144543637.db2.gz KPJYVTPVGUUDMM-BBWFWOEESA-N 1 3 307.482 2.311 20 30 DEEDHO CC#CCN(C)CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001280865457 1144860193 /nfs/dbraw/zinc/86/01/93/1144860193.db2.gz JYMZZEFQGDEIGR-QGZVFWFLSA-N 1 3 307.482 2.053 20 30 DEEDHO CC#CCN(C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001280865457 1144860194 /nfs/dbraw/zinc/86/01/94/1144860194.db2.gz JYMZZEFQGDEIGR-QGZVFWFLSA-N 1 3 307.482 2.053 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)C(C)C ZINC000581240297 357153847 /nfs/dbraw/zinc/15/38/47/357153847.db2.gz KWJMUAPIBXBCCY-DLBZAZTESA-N 1 3 322.497 2.065 20 30 DEEDHO CC(C)[C@H](CNC(=O)[C@@H](N)CCCCC#N)[NH+]1CCC(C)CC1 ZINC000594442035 358272832 /nfs/dbraw/zinc/27/28/32/358272832.db2.gz ZTHWIMQJUORUPT-IRXDYDNUSA-N 1 3 322.497 2.270 20 30 DEEDHO CN(CC#Cc1ccc(F)cc1)CCN(C)C1CC[NH+](C)CC1 ZINC000180934040 199230402 /nfs/dbraw/zinc/23/04/02/199230402.db2.gz KSEKIICMKAHAFE-UHFFFAOYSA-N 1 3 317.452 2.135 20 30 DEEDHO C[N@@H+]1CCCC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000600315308 359721428 /nfs/dbraw/zinc/72/14/28/359721428.db2.gz ROFFNMMISOKPGI-ZWKOTPCHSA-N 1 3 324.428 2.089 20 30 DEEDHO C[N@H+]1CCCC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000600315308 359721436 /nfs/dbraw/zinc/72/14/36/359721436.db2.gz ROFFNMMISOKPGI-ZWKOTPCHSA-N 1 3 324.428 2.089 20 30 DEEDHO C[C@@H](CCC#N)C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000602595873 360448192 /nfs/dbraw/zinc/44/81/92/360448192.db2.gz FKKASSPWPJQINC-YJBOKZPZSA-N 1 3 301.434 2.283 20 30 DEEDHO C[C@H](CCC#N)C[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000602533861 360421288 /nfs/dbraw/zinc/42/12/88/360421288.db2.gz PVTAFEMUKIUHQG-QGZVFWFLSA-N 1 3 315.465 2.123 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000669385679 540823237 /nfs/dbraw/zinc/82/32/37/540823237.db2.gz VUWIHQDUHBCCRS-SJORKVTESA-N 1 3 322.497 2.126 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@H](CC)C[NH+]2CCCC2)CC1 ZINC000675187474 541298367 /nfs/dbraw/zinc/29/83/67/541298367.db2.gz VGSUCHRKZNGXEQ-MRXNPFEDSA-N 1 3 322.497 2.201 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000106256135 194192951 /nfs/dbraw/zinc/19/29/51/194192951.db2.gz QBLBPLNLOMYMSA-UHFFFAOYSA-N 1 3 322.497 2.199 20 30 DEEDHO Cc1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)ccc1C#N ZINC000349064740 146346214 /nfs/dbraw/zinc/34/62/14/146346214.db2.gz WADAKNDKMDNFIF-UHFFFAOYSA-N 1 3 314.477 2.325 20 30 DEEDHO CCCC[N@H+](C)CC1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000120243528 401983680 /nfs/dbraw/zinc/98/36/80/401983680.db2.gz QPEWNMVSPLBUSR-INIZCTEOSA-N 1 3 322.497 2.191 20 30 DEEDHO CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000120243528 401983683 /nfs/dbraw/zinc/98/36/83/401983683.db2.gz QPEWNMVSPLBUSR-INIZCTEOSA-N 1 3 322.497 2.191 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC000126295021 402273726 /nfs/dbraw/zinc/27/37/26/402273726.db2.gz SEXMBTFGDZDKEO-GOSISDBHSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000126295021 402273728 /nfs/dbraw/zinc/27/37/28/402273728.db2.gz SEXMBTFGDZDKEO-GOSISDBHSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)C1(C[NH3+])CCCC1)C(C)C ZINC000236654263 402371501 /nfs/dbraw/zinc/37/15/01/402371501.db2.gz OKTYRNBWPILTNW-INIZCTEOSA-N 1 3 307.482 2.320 20 30 DEEDHO C#CCN1CCC(C(=O)Nc2cc(C[NH+](C)C)ccc2C)CC1 ZINC000177343108 402393063 /nfs/dbraw/zinc/39/30/63/402393063.db2.gz OMXRFSYGJWADRN-UHFFFAOYSA-N 1 3 313.445 2.340 20 30 DEEDHO C=CCN1CCC(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000171695225 402611380 /nfs/dbraw/zinc/61/13/80/402611380.db2.gz VHGYPVYLZWHGNE-UHFFFAOYSA-N 1 3 322.497 2.245 20 30 DEEDHO C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C[NH+]1CCCC1 ZINC000279617403 402960695 /nfs/dbraw/zinc/96/06/95/402960695.db2.gz UMCPZHDMVIEOQF-MAUKXSAKSA-N 1 3 324.428 2.089 20 30 DEEDHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281063863 403057835 /nfs/dbraw/zinc/05/78/35/403057835.db2.gz ZEVCSULIRSWDDT-QZTJIDSGSA-N 1 3 324.428 2.041 20 30 DEEDHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281063863 403057837 /nfs/dbraw/zinc/05/78/37/403057837.db2.gz ZEVCSULIRSWDDT-QZTJIDSGSA-N 1 3 324.428 2.041 20 30 DEEDHO C[NH+](C)[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000281083487 403058042 /nfs/dbraw/zinc/05/80/42/403058042.db2.gz BGDUNZURNJYHOH-MSOLQXFVSA-N 1 3 324.428 2.183 20 30 DEEDHO N#Cc1ccc(CNCCCC[N@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000269440595 403139666 /nfs/dbraw/zinc/13/96/66/403139666.db2.gz SKUYOCFNKXODGE-MRXNPFEDSA-N 1 3 305.397 2.024 20 30 DEEDHO N#Cc1ccc(CNCCCC[N@@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000269440595 403139668 /nfs/dbraw/zinc/13/96/68/403139668.db2.gz SKUYOCFNKXODGE-MRXNPFEDSA-N 1 3 305.397 2.024 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1cccc2[nH]ccc21 ZINC000283765651 403221580 /nfs/dbraw/zinc/22/15/80/403221580.db2.gz IJVDKMRTOOQPRU-HNNXBMFYSA-N 1 3 313.449 2.099 20 30 DEEDHO C[NH+](C)CC(C)(C)CNC(=O)C(C#N)CCc1ccccc1 ZINC000357342558 404732945 /nfs/dbraw/zinc/73/29/45/404732945.db2.gz IIXDAICMLBTTFK-MRXNPFEDSA-N 1 3 301.434 2.463 20 30 DEEDHO C=CCN1CCC(NC(=O)N[C@@H](C)C[N@@H+](C)CCCC)CC1 ZINC000357955397 404749162 /nfs/dbraw/zinc/74/91/62/404749162.db2.gz IQGGYXSHYKVSPO-HNNXBMFYSA-N 1 3 310.486 2.056 20 30 DEEDHO C=CCN1CCC(NC(=O)N[C@@H](C)C[N@H+](C)CCCC)CC1 ZINC000357955397 404749166 /nfs/dbraw/zinc/74/91/66/404749166.db2.gz IQGGYXSHYKVSPO-HNNXBMFYSA-N 1 3 310.486 2.056 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000358794903 404775956 /nfs/dbraw/zinc/77/59/56/404775956.db2.gz IZTYEHGQGOBCMA-CVEARBPZSA-N 1 3 322.497 2.056 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000358794903 404775961 /nfs/dbraw/zinc/77/59/61/404775961.db2.gz IZTYEHGQGOBCMA-CVEARBPZSA-N 1 3 322.497 2.056 20 30 DEEDHO C=CCN1CCC(NC(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000358792145 404775133 /nfs/dbraw/zinc/77/51/33/404775133.db2.gz TUBABFLOLZNHKP-UHFFFAOYSA-N 1 3 322.497 2.201 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)C(C)C ZINC000417073598 405027259 /nfs/dbraw/zinc/02/72/59/405027259.db2.gz YFSASWCPQRQBHF-YESZJQIVSA-N 1 3 322.497 2.064 20 30 DEEDHO C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCN1 ZINC000423367104 405779410 /nfs/dbraw/zinc/77/94/10/405779410.db2.gz CXQWLDDJYHVGPU-KXBFYZLASA-N 1 3 312.461 2.253 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000517324677 406125654 /nfs/dbraw/zinc/12/56/54/406125654.db2.gz XUFDRRSJESQKCO-INIZCTEOSA-N 1 3 322.497 2.056 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000517324677 406125656 /nfs/dbraw/zinc/12/56/56/406125656.db2.gz XUFDRRSJESQKCO-INIZCTEOSA-N 1 3 322.497 2.056 20 30 DEEDHO C#CCN1CCC(C(=O)N(CC[NH+](C)C)C2CCCCC2)CC1 ZINC000490650425 406478887 /nfs/dbraw/zinc/47/88/87/406478887.db2.gz MUTOGYUQBDJTNO-UHFFFAOYSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)[C@H]1C ZINC001088897655 782028814 /nfs/dbraw/zinc/02/88/14/782028814.db2.gz RRUPPSZPBAORIB-IKGGRYGDSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)[C@H]1C ZINC001088897655 782028821 /nfs/dbraw/zinc/02/88/21/782028821.db2.gz RRUPPSZPBAORIB-IKGGRYGDSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[C@H]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000651830453 425149085 /nfs/dbraw/zinc/14/90/85/425149085.db2.gz UGZQRUXDDYPBBO-ROUUACIJSA-N 1 3 321.509 2.117 20 30 DEEDHO C=CCNC(=O)[C@@H](C)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121620361 337896081 /nfs/dbraw/zinc/89/60/81/337896081.db2.gz KBEMJPBQGAWDLT-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(Cl)CNC1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCCC1 ZINC001378695695 1152417373 /nfs/dbraw/zinc/41/73/73/1152417373.db2.gz YHLSLPJCDNVKHN-AWEZNQCLSA-N 1 3 315.889 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/nfs/dbraw/zinc/52/35/55/623523555.db2.gz TYUQJLXHPBOUAU-DOTOQJQBSA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000970928086 623797257 /nfs/dbraw/zinc/79/72/57/623797257.db2.gz IQVXARUWMOHUJU-OAHLLOKOSA-N 1 3 315.461 2.374 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604158 623818285 /nfs/dbraw/zinc/81/82/85/623818285.db2.gz BGIIBEKBEZRWEG-WMZOPIPTSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604158 623818295 /nfs/dbraw/zinc/81/82/95/623818295.db2.gz BGIIBEKBEZRWEG-WMZOPIPTSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978800615 634423657 /nfs/dbraw/zinc/42/36/57/634423657.db2.gz SKHHXZHCHNOKBJ-FJIDUMEYSA-N 1 3 319.493 2.119 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978800615 634423658 /nfs/dbraw/zinc/42/36/58/634423658.db2.gz SKHHXZHCHNOKBJ-FJIDUMEYSA-N 1 3 319.493 2.119 20 30 DEEDHO C[NH+]=C(NCc1ccco1)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000103338306 625161739 /nfs/dbraw/zinc/16/17/39/625161739.db2.gz XRICVUGMJMEPRD-AWEZNQCLSA-N 1 3 306.454 2.455 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000999154310 634500878 /nfs/dbraw/zinc/50/08/78/634500878.db2.gz TWVMGGLRFYGKDH-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001024691718 632926706 /nfs/dbraw/zinc/92/67/06/632926706.db2.gz AAPHSAUWXQPTJT-ROUUACIJSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001024691718 632926708 /nfs/dbraw/zinc/92/67/08/632926708.db2.gz AAPHSAUWXQPTJT-ROUUACIJSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC000997080442 633567912 /nfs/dbraw/zinc/56/79/12/633567912.db2.gz VFEKNXXUQJEVDT-AEFFLSMTSA-N 1 3 319.493 2.099 20 30 DEEDHO C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC000997588057 633887469 /nfs/dbraw/zinc/88/74/69/633887469.db2.gz VFEKNXXUQJEVDT-FUHWJXTLSA-N 1 3 319.493 2.099 20 30 DEEDHO C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000981535891 635520357 /nfs/dbraw/zinc/52/03/57/635520357.db2.gz WSHQSIOHAYIGRS-ZWKOTPCHSA-N 1 3 313.445 2.012 20 30 DEEDHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1csc(C#N)c1)C2 ZINC000922384563 636151384 /nfs/dbraw/zinc/15/13/84/636151384.db2.gz DFXUSAMUWSPCJC-VQHPVUNQSA-N 1 3 319.474 2.189 20 30 DEEDHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1csc(C#N)c1)C2 ZINC000922384563 636151389 /nfs/dbraw/zinc/15/13/89/636151389.db2.gz DFXUSAMUWSPCJC-VQHPVUNQSA-N 1 3 319.474 2.189 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC000982597612 636301839 /nfs/dbraw/zinc/30/18/39/636301839.db2.gz AOYCSFHLYVEMAH-HDICACEKSA-N 1 3 316.449 2.089 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC000982597612 636301843 /nfs/dbraw/zinc/30/18/43/636301843.db2.gz AOYCSFHLYVEMAH-HDICACEKSA-N 1 3 316.449 2.089 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001004462477 636460811 /nfs/dbraw/zinc/46/08/11/636460811.db2.gz DIFOTLFLMNTQHU-MSOLQXFVSA-N 1 3 321.509 2.462 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001004462477 636460818 /nfs/dbraw/zinc/46/08/18/636460818.db2.gz DIFOTLFLMNTQHU-MSOLQXFVSA-N 1 3 321.509 2.462 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001004538619 636481234 /nfs/dbraw/zinc/48/12/34/636481234.db2.gz DIFOTLFLMNTQHU-ZWKOTPCHSA-N 1 3 321.509 2.462 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001004538619 636481237 /nfs/dbraw/zinc/48/12/37/636481237.db2.gz DIFOTLFLMNTQHU-ZWKOTPCHSA-N 1 3 321.509 2.462 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004540003 636485874 /nfs/dbraw/zinc/48/58/74/636485874.db2.gz AOOFCWYCGFSWDD-WMZOPIPTSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004540003 636485876 /nfs/dbraw/zinc/48/58/76/636485876.db2.gz AOOFCWYCGFSWDD-WMZOPIPTSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946784815 636652352 /nfs/dbraw/zinc/65/23/52/636652352.db2.gz VXEPOJHVBRBMNM-BBWFWOEESA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946784815 636652356 /nfs/dbraw/zinc/65/23/56/636652356.db2.gz VXEPOJHVBRBMNM-BBWFWOEESA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001006283182 637322703 /nfs/dbraw/zinc/32/27/03/637322703.db2.gz JSDOYWVYOAMCKW-NVXWUHKLSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC000987553395 640219199 /nfs/dbraw/zinc/21/91/99/640219199.db2.gz UORVBRRPQMITOX-YOEHRIQHSA-N 1 3 301.434 2.127 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000900406446 642359551 /nfs/dbraw/zinc/35/95/51/642359551.db2.gz QJJPRJZOAOTERL-KRWDZBQOSA-N 1 3 303.450 2.222 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000909919719 645244090 /nfs/dbraw/zinc/24/40/90/645244090.db2.gz ZZXOCSLMUJFHFP-UHFFFAOYSA-N 1 3 309.479 2.146 20 30 DEEDHO C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000991992957 646823266 /nfs/dbraw/zinc/82/32/66/646823266.db2.gz HCIUNWVMHPVABZ-YQVWRLOYSA-N 1 3 317.477 2.160 20 30 DEEDHO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000991992957 646823268 /nfs/dbraw/zinc/82/32/68/646823268.db2.gz HCIUNWVMHPVABZ-YQVWRLOYSA-N 1 3 317.477 2.160 20 30 DEEDHO CCCCCCCCNC(=[NH2+])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000849000021 651577627 /nfs/dbraw/zinc/57/76/27/651577627.db2.gz HCDKTTNDZJFDHT-HOTGVXAUSA-N 1 3 310.486 2.324 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Cl)cc1OC ZINC000304746578 685258693 /nfs/dbraw/zinc/25/86/93/685258693.db2.gz FXNAVVWYTUXSJC-CQSZACIVSA-N 1 3 324.856 2.237 20 30 DEEDHO CCO[C@@H]1C[C@H](NC(=[NH2+])NC[C@@H]2CCCN2CC)C12CCCC2 ZINC000304757957 685260175 /nfs/dbraw/zinc/26/01/75/685260175.db2.gz PLBDICHZYHPQOR-HRCADAONSA-N 1 3 322.497 2.113 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccccc1Cl ZINC000130791205 684192633 /nfs/dbraw/zinc/19/26/33/684192633.db2.gz SGRASHLTIMNKII-CYBMUJFWSA-N 1 3 324.856 2.107 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054145482 693861976 /nfs/dbraw/zinc/86/19/76/693861976.db2.gz QRLGNRWDMBLVFH-HKUYNNGSSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054145482 693861979 /nfs/dbraw/zinc/86/19/79/693861979.db2.gz QRLGNRWDMBLVFH-HKUYNNGSSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001054154776 693865313 /nfs/dbraw/zinc/86/53/13/693865313.db2.gz VQZILXFAGXLUSN-SJLPKXTDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001054154776 693865314 /nfs/dbraw/zinc/86/53/14/693865314.db2.gz VQZILXFAGXLUSN-SJLPKXTDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001375573619 1158817778 /nfs/dbraw/zinc/81/77/78/1158817778.db2.gz DEROREWDCLOTLC-UONOGXRCSA-N 1 3 313.873 2.098 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001016319252 687590929 /nfs/dbraw/zinc/59/09/29/687590929.db2.gz ATAQLYACFWHTPF-QGZVFWFLSA-N 1 3 301.434 2.128 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001016319252 687590933 /nfs/dbraw/zinc/59/09/33/687590933.db2.gz ATAQLYACFWHTPF-QGZVFWFLSA-N 1 3 301.434 2.128 20 30 DEEDHO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000866590241 687622334 /nfs/dbraw/zinc/62/23/34/687622334.db2.gz PHALOJXRIVIWQP-INIZCTEOSA-N 1 3 312.461 2.331 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001016618215 687665868 /nfs/dbraw/zinc/66/58/68/687665868.db2.gz QUBVPJIYPULHBN-CVEARBPZSA-N 1 3 305.466 2.016 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001016619874 687666540 /nfs/dbraw/zinc/66/65/40/687666540.db2.gz DOFABUDESJTXBW-MRXNPFEDSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001016862126 687720380 /nfs/dbraw/zinc/72/03/80/687720380.db2.gz RUKXVHQORSYBJZ-SJORKVTESA-N 1 3 319.493 2.408 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001016862123 687721036 /nfs/dbraw/zinc/72/10/36/687721036.db2.gz RUKXVHQORSYBJZ-IAGOWNOFSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001028845556 688545239 /nfs/dbraw/zinc/54/52/39/688545239.db2.gz MLWJBYZXWGQRSP-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001028845556 688545241 /nfs/dbraw/zinc/54/52/41/688545241.db2.gz MLWJBYZXWGQRSP-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001032445972 689153578 /nfs/dbraw/zinc/15/35/78/689153578.db2.gz SWQTUWPGEVHVEO-ULQDDVLXSA-N 1 3 305.466 2.111 20 30 DEEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001032445972 689153580 /nfs/dbraw/zinc/15/35/80/689153580.db2.gz SWQTUWPGEVHVEO-ULQDDVLXSA-N 1 3 305.466 2.111 20 30 DEEDHO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001034330969 689811061 /nfs/dbraw/zinc/81/10/61/689811061.db2.gz QQBMOKJWOVCEGS-MSOLQXFVSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001034330969 689811065 /nfs/dbraw/zinc/81/10/65/689811065.db2.gz QQBMOKJWOVCEGS-MSOLQXFVSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000876916727 689972363 /nfs/dbraw/zinc/97/23/63/689972363.db2.gz ZDDDQGXMISTVLT-SNVBAGLBSA-N 1 3 314.842 2.019 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039116969 691024025 /nfs/dbraw/zinc/02/40/25/691024025.db2.gz UWCCTKSKPBMUAS-ROUUACIJSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039116969 691024028 /nfs/dbraw/zinc/02/40/28/691024028.db2.gz UWCCTKSKPBMUAS-ROUUACIJSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001040849313 691292498 /nfs/dbraw/zinc/29/24/98/691292498.db2.gz QIXZKHOXPJSGLF-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCN1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042063535 691496052 /nfs/dbraw/zinc/49/60/52/691496052.db2.gz YNYFLAYSTTUAMC-SJORKVTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@H]21 ZINC001042188265 691531965 /nfs/dbraw/zinc/53/19/65/691531965.db2.gz RGCKWYPQNSEWBJ-IAGOWNOFSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@H]21 ZINC001042188265 691531967 /nfs/dbraw/zinc/53/19/67/691531967.db2.gz RGCKWYPQNSEWBJ-IAGOWNOFSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045943708 692058650 /nfs/dbraw/zinc/05/86/50/692058650.db2.gz NCJQUEFWXROTJE-GOSISDBHSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045943708 692058654 /nfs/dbraw/zinc/05/86/54/692058654.db2.gz NCJQUEFWXROTJE-GOSISDBHSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049637928 692948441 /nfs/dbraw/zinc/94/84/41/692948441.db2.gz JCHHKORSLYXAHX-CVEARBPZSA-N 1 3 305.466 2.112 20 30 DEEDHO CC#CCN1CCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052446863 693537497 /nfs/dbraw/zinc/53/74/97/693537497.db2.gz RURMDJNFXIUANZ-ZWKOTPCHSA-N 1 3 319.493 2.243 20 30 DEEDHO CC#CCN1CCC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052446863 693537500 /nfs/dbraw/zinc/53/75/00/693537500.db2.gz RURMDJNFXIUANZ-ZWKOTPCHSA-N 1 3 319.493 2.243 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001052764417 693614688 /nfs/dbraw/zinc/61/46/88/693614688.db2.gz OUTYQYPMJJLDMH-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001052764417 693614693 /nfs/dbraw/zinc/61/46/93/693614693.db2.gz OUTYQYPMJJLDMH-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001375515499 1158796529 /nfs/dbraw/zinc/79/65/29/1158796529.db2.gz KYNOTFMQCPOOJV-NMWPEEMBSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001375515499 1158796545 /nfs/dbraw/zinc/79/65/45/1158796545.db2.gz KYNOTFMQCPOOJV-NMWPEEMBSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CN(C)CCC ZINC001401833440 1162148882 /nfs/dbraw/zinc/14/88/82/1162148882.db2.gz WJTNAZFUSZFWMH-HUUCEWRRSA-N 1 3 315.889 2.345 20 30 DEEDHO C=C(Cl)CNC1(CNC(=O)CCC[NH+](C)C)CCCC1 ZINC001421836777 1172032459 /nfs/dbraw/zinc/03/24/59/1172032459.db2.gz FAAVJRFAOARRNI-UHFFFAOYSA-N 1 3 301.862 2.099 20 30 DEEDHO C=C(C)CN1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001332217568 1149836421 /nfs/dbraw/zinc/83/64/21/1149836421.db2.gz IHRRNEIQDYLNKI-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[C@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001122210695 782477551 /nfs/dbraw/zinc/47/75/51/782477551.db2.gz OXPAWYPIVFVLFO-WBVHZDCISA-N 1 3 307.482 2.298 20 30 DEEDHO C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001112529601 778606789 /nfs/dbraw/zinc/60/67/89/778606789.db2.gz HEOCDMFMQICZIZ-LNLFQRSKSA-N 1 3 319.493 2.123 20 30 DEEDHO C=C(C)CC[NH2+]CC1(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001167901327 778766597 /nfs/dbraw/zinc/76/65/97/778766597.db2.gz SRFWKQVJBMBCOW-UHFFFAOYSA-N 1 3 304.438 2.103 20 30 DEEDHO C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)CCC1 ZINC001105566828 780765622 /nfs/dbraw/zinc/76/56/22/780765622.db2.gz WXMNDUDPHODRCS-MRXNPFEDSA-N 1 3 316.449 2.279 20 30 DEEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001089732157 783397320 /nfs/dbraw/zinc/39/73/20/783397320.db2.gz NQYJTLTYASZEDD-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001089732157 783397324 /nfs/dbraw/zinc/39/73/24/783397324.db2.gz NQYJTLTYASZEDD-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001085778641 784066754 /nfs/dbraw/zinc/06/67/54/784066754.db2.gz CZSSHRHYKACQBA-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001085778641 784066759 /nfs/dbraw/zinc/06/67/59/784066759.db2.gz CZSSHRHYKACQBA-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001086381735 784633851 /nfs/dbraw/zinc/63/38/51/784633851.db2.gz GNZSADUMJSMAIX-KKUMJFAQSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001086381735 784633855 /nfs/dbraw/zinc/63/38/55/784633855.db2.gz GNZSADUMJSMAIX-KKUMJFAQSA-N 1 3 313.873 2.098 20 30 DEEDHO C=CCN1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132210874 787967985 /nfs/dbraw/zinc/96/79/85/787967985.db2.gz KMZKNMSBLLPNHE-CVEARBPZSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111453035 788153218 /nfs/dbraw/zinc/15/32/18/788153218.db2.gz KYJGQKBUDCMYOU-ZACQAIPSSA-N 1 3 305.466 2.160 20 30 DEEDHO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CCCCCC ZINC001135690900 789451432 /nfs/dbraw/zinc/45/14/32/789451432.db2.gz LOWTZKXIAOFAPI-IRXDYDNUSA-N 1 3 309.498 2.395 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@]2(C)C1 ZINC001092302276 791974217 /nfs/dbraw/zinc/97/42/17/791974217.db2.gz WNTLZOHQNBPWTD-LMMKCTJWSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@]2(C)C1 ZINC001092302276 791974225 /nfs/dbraw/zinc/97/42/25/791974225.db2.gz WNTLZOHQNBPWTD-LMMKCTJWSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N(C)CC ZINC001099496806 792223345 /nfs/dbraw/zinc/22/33/45/792223345.db2.gz LSQFXHIRZBYPPA-NXOAAHMSSA-N 1 3 319.493 2.072 20 30 DEEDHO C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N(C)CC ZINC001099496806 792223352 /nfs/dbraw/zinc/22/33/52/792223352.db2.gz LSQFXHIRZBYPPA-NXOAAHMSSA-N 1 3 319.493 2.072 20 30 DEEDHO C=CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(CC)CC ZINC001099539142 792234308 /nfs/dbraw/zinc/23/43/08/792234308.db2.gz ZJIIKLWMTNWINW-MHORFTMASA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(CC)CC ZINC001099539142 792234317 /nfs/dbraw/zinc/23/43/17/792234317.db2.gz ZJIIKLWMTNWINW-MHORFTMASA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101443968 793164602 /nfs/dbraw/zinc/16/46/02/793164602.db2.gz RNQDXBYZJDUTBX-AEFFLSMTSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101443968 793164606 /nfs/dbraw/zinc/16/46/06/793164606.db2.gz RNQDXBYZJDUTBX-AEFFLSMTSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001101547781 793224441 /nfs/dbraw/zinc/22/44/41/793224441.db2.gz PFOAPAVPRWVEKU-QGZVFWFLSA-N 1 3 321.509 2.367 20 30 DEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CCC2CCCC2)CC1 ZINC001176926361 794529729 /nfs/dbraw/zinc/52/97/29/794529729.db2.gz KBBPIJIXZPIGFT-UHFFFAOYSA-N 1 3 319.493 2.008 20 30 DEEDHO C=C(Cl)C[NH2+]CCCNC(=O)c1ccccc1CN(C)C ZINC001176948467 794539288 /nfs/dbraw/zinc/53/92/88/794539288.db2.gz YLYYMPMXFFWZPM-UHFFFAOYSA-N 1 3 309.841 2.210 20 30 DEEDHO C#CCC[NH2+]C1(CNC(=O)[C@H](C(C)C)N(C)C)CCCCC1 ZINC001115582286 794829229 /nfs/dbraw/zinc/82/92/29/794829229.db2.gz TZRFLMPYNUJTHL-INIZCTEOSA-N 1 3 307.482 2.005 20 30 DEEDHO C=CC[NH2+]C1(CNC(=O)[C@H](C2CC2)N2CCCC2)CCCCC1 ZINC001115648299 794859195 /nfs/dbraw/zinc/85/91/95/794859195.db2.gz KCMAXCRZQFNDMR-KRWDZBQOSA-N 1 3 319.493 2.456 20 30 DEEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+]CCC)CC1 ZINC001180360309 795282003 /nfs/dbraw/zinc/28/20/03/795282003.db2.gz CHTNVTBXQOLXDC-UHFFFAOYSA-N 1 3 307.482 2.008 20 30 DEEDHO C=C(Cl)C[NH2+]CCCCCCNC(=O)CN(C)C(C)C ZINC001180369373 795291486 /nfs/dbraw/zinc/29/14/86/795291486.db2.gz BGUWSYTUSBPWLE-UHFFFAOYSA-N 1 3 303.878 2.345 20 30 DEEDHO C#CCC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001120190094 795419763 /nfs/dbraw/zinc/41/97/63/795419763.db2.gz ROCUUDHFFWRLFI-CALCHBBNSA-N 1 3 319.493 2.291 20 30 DEEDHO C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1C ZINC001181441529 795480079 /nfs/dbraw/zinc/48/00/79/795480079.db2.gz QCSPCFSTKOITCR-SOLBZPMBSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCC[NH2+]C1CC2(CC(NC(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001121768002 795685141 /nfs/dbraw/zinc/68/51/41/795685141.db2.gz UXRSMRQCNXRQLS-JFPDKAJLSA-N 1 3 305.466 2.064 20 30 DEEDHO C=CCCC[NH2+]C[C@]1(C)CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001182629318 795714777 /nfs/dbraw/zinc/71/47/77/795714777.db2.gz COBLKOMOOXJDEV-ZHALLVOQSA-N 1 3 321.509 2.369 20 30 DEEDHO C=C(C)CC[NH2+]C1CC2(CC(NC(=O)Cc3nc[nH]c3C)C2)C1 ZINC001122118552 795728081 /nfs/dbraw/zinc/72/80/81/795728081.db2.gz PWPMAMBQCQJRLU-UHFFFAOYSA-N 1 3 316.449 2.244 20 30 DEEDHO C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192407168 797386930 /nfs/dbraw/zinc/38/69/30/797386930.db2.gz RYRZWOPJUGCCJG-MRXNPFEDSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192407168 797386937 /nfs/dbraw/zinc/38/69/37/797386937.db2.gz RYRZWOPJUGCCJG-MRXNPFEDSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCCC[N@H+]1CCCN(C(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001195817378 797960299 /nfs/dbraw/zinc/96/02/99/797960299.db2.gz PWNYDALBKWYXRO-QGZVFWFLSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001195817378 797960306 /nfs/dbraw/zinc/96/03/06/797960306.db2.gz PWNYDALBKWYXRO-QGZVFWFLSA-N 1 3 307.482 2.360 20 30 DEEDHO C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001161953353 798978550 /nfs/dbraw/zinc/97/85/50/798978550.db2.gz SYRCOQQISXDODD-SFHVURJKSA-N 1 3 317.477 2.023 20 30 DEEDHO C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001161953353 798978555 /nfs/dbraw/zinc/97/85/55/798978555.db2.gz SYRCOQQISXDODD-SFHVURJKSA-N 1 3 317.477 2.023 20 30 DEEDHO C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001208014485 800894136 /nfs/dbraw/zinc/89/41/36/800894136.db2.gz QRXJUPNUTBHXHK-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc(F)c(CC#N)c1 ZINC001219518364 802340190 /nfs/dbraw/zinc/34/01/90/802340190.db2.gz HVWHKCUXLOJHHX-INIZCTEOSA-N 1 3 320.412 2.326 20 30 DEEDHO C=CCC[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001328651535 1148820763 /nfs/dbraw/zinc/82/07/63/1148820763.db2.gz ZNEKOBBHWRMIIX-HOCLYGCPSA-N 1 3 304.438 2.278 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C1CCCC1 ZINC001500094607 1058487315 /nfs/dbraw/zinc/48/73/15/1058487315.db2.gz DAHIFWXVGAWRMP-QGZVFWFLSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCN[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)c1ccccc1 ZINC001567660318 1064324074 /nfs/dbraw/zinc/32/40/74/1064324074.db2.gz YDXMLQXWVDOFJH-ROUUACIJSA-N 1 3 315.461 2.494 20 30 DEEDHO C=CCN[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)c1ccccc1 ZINC001567660318 1064324083 /nfs/dbraw/zinc/32/40/83/1064324083.db2.gz YDXMLQXWVDOFJH-ROUUACIJSA-N 1 3 315.461 2.494 20 30 DEEDHO C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001568379728 1064823485 /nfs/dbraw/zinc/82/34/85/1064823485.db2.gz VKCQVXYULXAWOJ-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001495388554 1064874489 /nfs/dbraw/zinc/87/44/89/1064874489.db2.gz RKVKRWPCETWCEE-IRXDYDNUSA-N 1 3 307.482 2.123 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001495457469 1064918437 /nfs/dbraw/zinc/91/84/37/1064918437.db2.gz GSVUAZXRSYSDPA-HDJSIYSDSA-N 1 3 313.873 2.240 20 30 DEEDHO C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@H]2C1 ZINC001569884338 1065791706 /nfs/dbraw/zinc/79/17/06/1065791706.db2.gz QUJRBWOSJSCBDA-FGTMMUONSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@H]2C1 ZINC001569884338 1065791714 /nfs/dbraw/zinc/79/17/14/1065791714.db2.gz QUJRBWOSJSCBDA-FGTMMUONSA-N 1 3 319.493 2.217 20 30 DEEDHO N#Cc1cc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1F ZINC001580062419 1067486103 /nfs/dbraw/zinc/48/61/03/1067486103.db2.gz YLPLEAJMFFODOR-YXJHDRRASA-N 1 3 317.408 2.416 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]21 ZINC001571508290 1068368295 /nfs/dbraw/zinc/36/82/95/1068368295.db2.gz CVMGKVBUHKDXEO-IXDOHACOSA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483698692 1078819171 /nfs/dbraw/zinc/81/91/71/1078819171.db2.gz UNXWIDPFFRXESC-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001267459764 1078868403 /nfs/dbraw/zinc/86/84/03/1078868403.db2.gz MPORELOMBTVAGA-QZTJIDSGSA-N 1 3 319.493 2.217 20 30 DEEDHO C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267460461 1078869780 /nfs/dbraw/zinc/86/97/80/1078869780.db2.gz VUMJCVACXNNPBI-ROUUACIJSA-N 1 3 319.493 2.195 20 30 DEEDHO C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001267460461 1078869789 /nfs/dbraw/zinc/86/97/89/1078869789.db2.gz VUMJCVACXNNPBI-ROUUACIJSA-N 1 3 319.493 2.195 20 30 DEEDHO CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)CCC)C2)CC1 ZINC001565921133 1075205715 /nfs/dbraw/zinc/20/57/15/1075205715.db2.gz AFPDRHKCHVEIBR-QGZVFWFLSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN(C)CCC)C2)CC1 ZINC001565921132 1075206057 /nfs/dbraw/zinc/20/60/57/1075206057.db2.gz AFPDRHKCHVEIBR-KRWDZBQOSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001566623005 1075298885 /nfs/dbraw/zinc/29/88/85/1075298885.db2.gz FMQLYIZYLOEFHK-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001566623005 1075298891 /nfs/dbraw/zinc/29/88/91/1075298891.db2.gz FMQLYIZYLOEFHK-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001567193144 1075460000 /nfs/dbraw/zinc/46/00/00/1075460000.db2.gz OBEDLPXQCVVQSI-MRXNPFEDSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001567193144 1075460002 /nfs/dbraw/zinc/46/00/02/1075460002.db2.gz OBEDLPXQCVVQSI-MRXNPFEDSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN2CCC)C1 ZINC001267764745 1079468791 /nfs/dbraw/zinc/46/87/91/1079468791.db2.gz YMDKGQXAZNYKSH-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN2CCC)C1 ZINC001267764745 1079468798 /nfs/dbraw/zinc/46/87/98/1079468798.db2.gz YMDKGQXAZNYKSH-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001267898948 1079585460 /nfs/dbraw/zinc/58/54/60/1079585460.db2.gz YEQQXQXYCFXUAF-QZTJIDSGSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CC[NH2+][C@H]1CCN(C(=O)CN(C)CCCCCC)[C@@H](C)C1 ZINC001671250911 1079639499 /nfs/dbraw/zinc/63/94/99/1079639499.db2.gz GBLHJKAUGKTUPQ-IRXDYDNUSA-N 1 3 307.482 2.101 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001484618275 1079689187 /nfs/dbraw/zinc/68/91/87/1079689187.db2.gz NBJPYYYIEDBDFT-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001481340385 1079734694 /nfs/dbraw/zinc/73/46/94/1079734694.db2.gz QLVYUSWLUJPIDJ-NVXWUHKLSA-N 1 3 309.498 2.365 20 30 DEEDHO C=CCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001485029139 1079923130 /nfs/dbraw/zinc/92/31/30/1079923130.db2.gz IIQQCKSBBKIVNP-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001485029139 1079923135 /nfs/dbraw/zinc/92/31/35/1079923135.db2.gz IIQQCKSBBKIVNP-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001656108942 1080044692 /nfs/dbraw/zinc/04/46/92/1080044692.db2.gz AOHYDLMOVLUHMI-DLBZAZTESA-N 1 3 309.498 2.441 20 30 DEEDHO CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001656108942 1080044698 /nfs/dbraw/zinc/04/46/98/1080044698.db2.gz AOHYDLMOVLUHMI-DLBZAZTESA-N 1 3 309.498 2.441 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCCCC)CC1 ZINC001485230201 1080077692 /nfs/dbraw/zinc/07/76/92/1080077692.db2.gz QWROFEXKTJNBFX-JKSUJKDBSA-N 1 3 307.482 2.005 20 30 DEEDHO C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001485230263 1080077860 /nfs/dbraw/zinc/07/78/60/1080077860.db2.gz RPLBJUCQQZGKHU-GJZGRUSLSA-N 1 3 303.450 2.421 20 30 DEEDHO C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001268173976 1080164086 /nfs/dbraw/zinc/16/40/86/1080164086.db2.gz GOOVSDKAPGCNCF-SJORKVTESA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCC[N@H+]1C[C@H](NC(=O)[C@@H](F)CN(CC)CC)C(C)(C)C1 ZINC001485570365 1080303432 /nfs/dbraw/zinc/30/34/32/1080303432.db2.gz BUMXYWRYAVDVAU-GJZGRUSLSA-N 1 3 313.461 2.069 20 30 DEEDHO C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H](F)CN(CC)CC)C(C)(C)C1 ZINC001485570365 1080303440 /nfs/dbraw/zinc/30/34/40/1080303440.db2.gz BUMXYWRYAVDVAU-GJZGRUSLSA-N 1 3 313.461 2.069 20 30 DEEDHO C=CCN1CC[C@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001481734104 1080405761 /nfs/dbraw/zinc/40/57/61/1080405761.db2.gz DDUFXEWVJSZKGY-KRWDZBQOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCN1CC[C@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001481734104 1080405766 /nfs/dbraw/zinc/40/57/66/1080405766.db2.gz DDUFXEWVJSZKGY-KRWDZBQOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CN1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001660859373 1080409460 /nfs/dbraw/zinc/40/94/60/1080409460.db2.gz LQPLYFORLVNOFM-QGZVFWFLSA-N 1 3 307.482 2.409 20 30 DEEDHO C#CCCN1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481753352 1080441086 /nfs/dbraw/zinc/44/10/86/1080441086.db2.gz SVYNURZWHOJDEC-MSOLQXFVSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(CC)CC ZINC001099539144 1080464881 /nfs/dbraw/zinc/46/48/81/1080464881.db2.gz ZJIIKLWMTNWINW-MLHJIOFPSA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(CC)CC ZINC001099539144 1080464883 /nfs/dbraw/zinc/46/48/83/1080464883.db2.gz ZJIIKLWMTNWINW-MLHJIOFPSA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCNC(=O)[C@H]1CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001272717502 1080496802 /nfs/dbraw/zinc/49/68/02/1080496802.db2.gz VJRPTKCATLAASD-QGZVFWFLSA-N 1 3 319.493 2.267 20 30 DEEDHO C=CCC[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)c1ccccc1 ZINC001664578543 1080928038 /nfs/dbraw/zinc/92/80/38/1080928038.db2.gz PATAJWHIEWGWFN-KRWDZBQOSA-N 1 3 315.461 2.494 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001664739650 1080952168 /nfs/dbraw/zinc/95/21/68/1080952168.db2.gz CBKINIWEDLQZJE-DLBZAZTESA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001664739650 1080952173 /nfs/dbraw/zinc/95/21/73/1080952173.db2.gz CBKINIWEDLQZJE-DLBZAZTESA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001667262430 1081231653 /nfs/dbraw/zinc/23/16/53/1081231653.db2.gz KNEWBLZWRPMARP-KRWDZBQOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001668321107 1081341245 /nfs/dbraw/zinc/34/12/45/1081341245.db2.gz WRQUUJMURYLQHE-KGLIPLIRSA-N 1 3 301.862 2.098 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001671917025 1081550309 /nfs/dbraw/zinc/55/03/09/1081550309.db2.gz UEZSQFZTUIOGPH-GOSISDBHSA-N 1 3 318.465 2.445 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001671917025 1081550311 /nfs/dbraw/zinc/55/03/11/1081550311.db2.gz UEZSQFZTUIOGPH-GOSISDBHSA-N 1 3 318.465 2.445 20 30 DEEDHO CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H](CC)N(C)C)cc1 ZINC001672944060 1081725279 /nfs/dbraw/zinc/72/52/79/1081725279.db2.gz VZMZOJSSZZGDHN-YJBOKZPZSA-N 1 3 315.461 2.317 20 30 DEEDHO CC#CCN1CC[C@]2(C1)CCCN(C(=O)CC[N@@H+](C)CCC)C2 ZINC001673651719 1081789137 /nfs/dbraw/zinc/78/91/37/1081789137.db2.gz ZMDHRDCRIVXGNR-IBGZPJMESA-N 1 3 319.493 2.056 20 30 DEEDHO CC#CCN1CC[C@]2(C1)CCCN(C(=O)CC[N@H+](C)CCC)C2 ZINC001673651719 1081789145 /nfs/dbraw/zinc/78/91/45/1081789145.db2.gz ZMDHRDCRIVXGNR-IBGZPJMESA-N 1 3 319.493 2.056 20 30 DEEDHO C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001482469961 1081943874 /nfs/dbraw/zinc/94/38/74/1081943874.db2.gz FRYYZCVMTIMLNB-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001280391662 1082020397 /nfs/dbraw/zinc/02/03/97/1082020397.db2.gz ACLSUGBBXDEMDZ-QGZVFWFLSA-N 1 3 321.509 2.463 20 30 DEEDHO CC[C@H](CC#N)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397489910 1082076429 /nfs/dbraw/zinc/07/64/29/1082076429.db2.gz HKWXSUYNDRKGGG-QGZVFWFLSA-N 1 3 301.434 2.295 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001271673538 1082105206 /nfs/dbraw/zinc/10/52/06/1082105206.db2.gz IPZYBVAJMWBLFH-CVEARBPZSA-N 1 3 309.498 2.225 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001271673539 1082105378 /nfs/dbraw/zinc/10/53/78/1082105378.db2.gz IPZYBVAJMWBLFH-HOTGVXAUSA-N 1 3 309.498 2.225 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266819985 1082369009 /nfs/dbraw/zinc/36/90/09/1082369009.db2.gz HEKUSQZBGNAJDT-SJORKVTESA-N 1 3 309.498 2.367 20 30 DEEDHO C=CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12 ZINC001107495575 1083434668 /nfs/dbraw/zinc/43/46/68/1083434668.db2.gz RJCZYTZVRXHKJK-VQIMIIECSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12 ZINC001107495575 1083434672 /nfs/dbraw/zinc/43/46/72/1083434672.db2.gz RJCZYTZVRXHKJK-VQIMIIECSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCN1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001276633784 1083525443 /nfs/dbraw/zinc/52/54/43/1083525443.db2.gz OOATVFZOIFKOMY-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CN(C)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001486370081 1085241177 /nfs/dbraw/zinc/24/11/77/1085241177.db2.gz PWBUDZCECNHDPH-DLBZAZTESA-N 1 3 309.498 2.462 20 30 DEEDHO C=C(C)CN(C)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001486370081 1085241186 /nfs/dbraw/zinc/24/11/86/1085241186.db2.gz PWBUDZCECNHDPH-DLBZAZTESA-N 1 3 309.498 2.462 20 30 DEEDHO C#CCC[NH2+]C[C@@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)C ZINC001486412568 1085282606 /nfs/dbraw/zinc/28/26/06/1085282606.db2.gz WRLDIXZIAKZIIX-OAHLLOKOSA-N 1 3 309.498 2.108 20 30 DEEDHO C#CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C(C)(C)C ZINC001486423327 1085296120 /nfs/dbraw/zinc/29/61/20/1085296120.db2.gz FZGHLQQHAOZRDS-IRXDYDNUSA-N 1 3 321.509 2.251 20 30 DEEDHO C=C(C)C[NH2+]C1CC2(CC(NC(=O)CN3[C@H](C)CC[C@H]3C)C2)C1 ZINC000965933264 1085701060 /nfs/dbraw/zinc/70/10/60/1085701060.db2.gz WFPYFGFOXOCYFA-YCTIJVIUSA-N 1 3 319.493 2.452 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001080989575 1089281891 /nfs/dbraw/zinc/28/18/91/1089281891.db2.gz NZVKQKPKTGDODA-CRAIPNDOSA-N 1 3 315.461 2.374 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001080989575 1089281904 /nfs/dbraw/zinc/28/19/04/1089281904.db2.gz NZVKQKPKTGDODA-CRAIPNDOSA-N 1 3 315.461 2.374 20 30 DEEDHO C=CCCCCCCCN1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001276043183 1091476387 /nfs/dbraw/zinc/47/63/87/1091476387.db2.gz WYXKUDYUVAKLJP-KDURUIRLSA-N 1 3 323.525 2.460 20 30 DEEDHO C=CCC[N@@H+](CC)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001274965545 1091490799 /nfs/dbraw/zinc/49/07/99/1091490799.db2.gz NDZVNGMKGSPQGD-UHFFFAOYSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCC[N@H+](CC)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001274965545 1091490805 /nfs/dbraw/zinc/49/08/05/1091490805.db2.gz NDZVNGMKGSPQGD-UHFFFAOYSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001488771984 1092742946 /nfs/dbraw/zinc/74/29/46/1092742946.db2.gz JNLSEEUTQJXTER-VQHPVUNQSA-N 1 3 307.482 2.167 20 30 DEEDHO C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001318851596 1140437109 /nfs/dbraw/zinc/43/71/09/1140437109.db2.gz TXMZJOHSUVBJTC-IAGOWNOFSA-N 1 3 309.498 2.367 20 30 DEEDHO CC(=O)n1ccc2cc(C[C@H](C)[NH2+]C3CCNCC3)cc(C#N)c21 ZINC001246328055 1140884326 /nfs/dbraw/zinc/88/43/26/1140884326.db2.gz QEYNBWYOUNHUBC-ZDUSSCGKSA-N 1 3 324.428 2.446 20 30 DEEDHO CC(=O)n1ccc2cc(C[C@H](C)NC3CC[NH2+]CC3)cc(C#N)c21 ZINC001246328055 1140884327 /nfs/dbraw/zinc/88/43/27/1140884327.db2.gz QEYNBWYOUNHUBC-ZDUSSCGKSA-N 1 3 324.428 2.446 20 30 DEEDHO C=C[C@@](C)(O)C[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001252552530 1142760747 /nfs/dbraw/zinc/76/07/47/1142760747.db2.gz XKFFASVYKZBENP-GOSISDBHSA-N 1 3 315.461 2.307 20 30 DEEDHO CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)CC1(C)C ZINC001278673804 1142774620 /nfs/dbraw/zinc/77/46/20/1142774620.db2.gz VWIUQVXCRNOPFH-IAGOWNOFSA-N 1 3 319.493 2.099 20 30 DEEDHO C=CCC[C@H](O)CN1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001252597115 1142778528 /nfs/dbraw/zinc/77/85/28/1142778528.db2.gz WVODKYQCZKWRJI-ROUUACIJSA-N 1 3 310.482 2.136 20 30 DEEDHO C=CCC[C@H](O)CN1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001252597115 1142778545 /nfs/dbraw/zinc/77/85/45/1142778545.db2.gz WVODKYQCZKWRJI-ROUUACIJSA-N 1 3 310.482 2.136 20 30 DEEDHO C#CCCN(C)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001278911503 1143830065 /nfs/dbraw/zinc/83/00/65/1143830065.db2.gz BDFNUDQDWBXITC-QGZVFWFLSA-N 1 3 307.482 2.053 20 30 DEEDHO C#CCCN(C)CCN(C(=O)CC[C@H]1CCC[N@H+]1C)C(C)C ZINC001278911503 1143830066 /nfs/dbraw/zinc/83/00/66/1143830066.db2.gz BDFNUDQDWBXITC-QGZVFWFLSA-N 1 3 307.482 2.053 20 30 DEEDHO N#Cc1ccc(C[NH2+]C2CCC(N3CCOCC3)CC2)s1 ZINC001256685815 1143862408 /nfs/dbraw/zinc/86/24/08/1143862408.db2.gz HPEMRESXIPIOPZ-UHFFFAOYSA-N 1 3 305.447 2.353 20 30 DEEDHO N#Cc1cc(C[NH2+]C2CCC(N3CCOCC3)CC2)cs1 ZINC001256687046 1143862565 /nfs/dbraw/zinc/86/25/65/1143862565.db2.gz KXOMNXMKSPWDSL-UHFFFAOYSA-N 1 3 305.447 2.353 20 30 DEEDHO C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001266067095 1144802196 /nfs/dbraw/zinc/80/21/96/1144802196.db2.gz IOZFQCLNDIAIJO-CVEARBPZSA-N 1 3 307.482 2.005 20 30 DEEDHO CC#CCN(C)CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001280865456 1144860305 /nfs/dbraw/zinc/86/03/05/1144860305.db2.gz JYMZZEFQGDEIGR-KRWDZBQOSA-N 1 3 307.482 2.053 20 30 DEEDHO CC#CCN(C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001280865456 1144860306 /nfs/dbraw/zinc/86/03/06/1144860306.db2.gz JYMZZEFQGDEIGR-KRWDZBQOSA-N 1 3 307.482 2.053 20 30 DEEDHO CC#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCCCN1C(C)C)C(C)C ZINC001283462783 1145445736 /nfs/dbraw/zinc/44/57/36/1145445736.db2.gz JFYXASHWDXJVMS-MSOLQXFVSA-N 1 3 321.509 2.393 20 30 DEEDHO CC#CCN(C)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001491947872 1147013889 /nfs/dbraw/zinc/01/38/89/1147013889.db2.gz YMFLMAQZWPKEAC-IRXDYDNUSA-N 1 3 307.482 2.053 20 30 DEEDHO C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001324655930 1147826692 /nfs/dbraw/zinc/82/66/92/1147826692.db2.gz JVZYJVBBJQVKNG-SJLPKXTDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001324655930 1147826694 /nfs/dbraw/zinc/82/66/94/1147826694.db2.gz JVZYJVBBJQVKNG-SJLPKXTDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CC[N@@H+]1C[C@H]2CN(C(=O)CN(C)CCCCCC)C[C@H]2C1 ZINC001325766414 1147996944 /nfs/dbraw/zinc/99/69/44/1147996944.db2.gz MSHINYHOGSWBQM-CALCHBBNSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CC[N@H+]1C[C@H]2CN(C(=O)CN(C)CCCCCC)C[C@H]2C1 ZINC001325766414 1147996946 /nfs/dbraw/zinc/99/69/46/1147996946.db2.gz MSHINYHOGSWBQM-CALCHBBNSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CCCC[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001326602183 1148157725 /nfs/dbraw/zinc/15/77/25/1148157725.db2.gz ACLSUGBBXDEMDZ-KRWDZBQOSA-N 1 3 321.509 2.463 20 30 DEEDHO CCOCCCN1CC[C@H]([NH2+]Cc2ccnc(C#N)c2)[C@@H](C)C1 ZINC000615796994 362705534 /nfs/dbraw/zinc/70/55/34/362705534.db2.gz JVHHHNXQMOOKCP-YJBOKZPZSA-N 1 3 316.449 2.180 20 30 DEEDHO CN1CCC(N2CC[C@H]([NH2+]C3CCC(C)(C#N)CC3)C2)CC1 ZINC000590645235 357572713 /nfs/dbraw/zinc/57/27/13/357572713.db2.gz DVFVSSNYKUWCDI-PQUAAJSLSA-N 1 3 304.482 2.217 20 30 DEEDHO C#CCN1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001328254724 1148755501 /nfs/dbraw/zinc/75/55/01/1148755501.db2.gz GACBPTHCUNBZSX-CVEARBPZSA-N 1 3 319.493 2.242 20 30 DEEDHO C#CCN1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001328254724 1148755510 /nfs/dbraw/zinc/75/55/10/1148755510.db2.gz GACBPTHCUNBZSX-CVEARBPZSA-N 1 3 319.493 2.242 20 30 DEEDHO Cn1cc(CNCc2cccc(OCC[NH+](C)C)c2)cc1C#N ZINC000190785681 402622548 /nfs/dbraw/zinc/62/25/48/402622548.db2.gz RAVBOGNZMFEEPW-UHFFFAOYSA-N 1 3 312.417 2.127 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)C(C)C ZINC000270360946 403183710 /nfs/dbraw/zinc/18/37/10/403183710.db2.gz XOJUVQXANMMIJD-SJORKVTESA-N 1 3 307.482 2.191 20 30 DEEDHO CCN1CCN(CCCC[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000343282781 403524720 /nfs/dbraw/zinc/52/47/20/403524720.db2.gz KAUSSQCTFHJAMZ-UHFFFAOYSA-N 1 3 306.479 2.127 20 30 DEEDHO C=CCOCCC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000348047936 404022720 /nfs/dbraw/zinc/02/27/20/404022720.db2.gz LWQGGYRAOGDSSJ-IAGOWNOFSA-N 1 3 310.482 2.400 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]1)C(C)C ZINC000291990227 404616076 /nfs/dbraw/zinc/61/60/76/404616076.db2.gz BBONVRPXOUZUNJ-SJORKVTESA-N 1 3 307.482 2.333 20 30 DEEDHO C=CCN1CCC(NC(=O)N[C@H](C)C[N@@H+](CC)CCC)CC1 ZINC000357983009 404750604 /nfs/dbraw/zinc/75/06/04/404750604.db2.gz YKAOJPIHXPZTKZ-OAHLLOKOSA-N 1 3 310.486 2.056 20 30 DEEDHO C=CCN1CCC(NC(=O)N[C@H](C)C[N@H+](CC)CCC)CC1 ZINC000357983009 404750606 /nfs/dbraw/zinc/75/06/06/404750606.db2.gz YKAOJPIHXPZTKZ-OAHLLOKOSA-N 1 3 310.486 2.056 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000358794905 404775733 /nfs/dbraw/zinc/77/57/33/404775733.db2.gz IZTYEHGQGOBCMA-HZPDHXFCSA-N 1 3 322.497 2.056 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000358794905 404775736 /nfs/dbraw/zinc/77/57/36/404775736.db2.gz IZTYEHGQGOBCMA-HZPDHXFCSA-N 1 3 322.497 2.056 20 30 DEEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN[C@@H](C)[C@@H]1C)C(C)C ZINC000417064460 405024669 /nfs/dbraw/zinc/02/46/69/405024669.db2.gz OQKYXVSSNJTZSA-YESZJQIVSA-N 1 3 322.497 2.077 20 30 DEEDHO N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CCCNC3)CC2)cc1 ZINC000423206020 405723679 /nfs/dbraw/zinc/72/36/79/405723679.db2.gz FOXNTEXQYYZCHK-GOSISDBHSA-N 1 3 312.461 2.112 20 30 DEEDHO C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCN1 ZINC000423367101 405777795 /nfs/dbraw/zinc/77/77/95/405777795.db2.gz CXQWLDDJYHVGPU-BEFAXECRSA-N 1 3 312.461 2.253 20 30 DEEDHO CC#CC[C@@H](CO)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000641769183 406888596 /nfs/dbraw/zinc/88/85/96/406888596.db2.gz PFZDIRSOFJVNFZ-SFHVURJKSA-N 1 3 316.445 2.025 20 30 DEEDHO C=CC[C@]1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCC[NH2+]1 ZINC000662674037 425708806 /nfs/dbraw/zinc/70/88/06/425708806.db2.gz XDXRUUJYDDECSZ-GOSISDBHSA-N 1 3 317.433 2.264 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@@H]([NH+](CC)CC)C2)CC1 ZINC000176500830 340427845 /nfs/dbraw/zinc/42/78/45/340427845.db2.gz NCRHRWDKWCJOSM-QGZVFWFLSA-N 1 3 322.497 2.153 20 30 DEEDHO C=C(C)CN(C)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC001571613981 1159871566 /nfs/dbraw/zinc/87/15/66/1159871566.db2.gz QADAYTZIHRPABE-IRXDYDNUSA-N 1 3 309.498 2.462 20 30 DEEDHO C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001329938234 1149019614 /nfs/dbraw/zinc/01/96/14/1149019614.db2.gz PNIYMEDBRZPDHD-KRWDZBQOSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001329938234 1149019621 /nfs/dbraw/zinc/01/96/21/1149019621.db2.gz PNIYMEDBRZPDHD-KRWDZBQOSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN[C@H](C)[C@@H]1C)C(C)C ZINC000417064458 500577479 /nfs/dbraw/zinc/57/74/79/500577479.db2.gz OQKYXVSSNJTZSA-IXDOHACOSA-N 1 3 322.497 2.077 20 30 DEEDHO C[NH+]=C(NC[C@]1(N(C)C)CCC[C@H](C)C1)N(C)Cc1ccon1 ZINC000261741811 526378604 /nfs/dbraw/zinc/37/86/04/526378604.db2.gz KSTOYYUDGNMFPO-YOEHRIQHSA-N 1 3 321.469 2.192 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCC(F)(F)C1 ZINC000261899603 529100429 /nfs/dbraw/zinc/10/04/29/529100429.db2.gz WJQPGYYNJKUZII-STQMWFEESA-N 1 3 302.413 2.201 20 30 DEEDHO C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC000970529121 623522617 /nfs/dbraw/zinc/52/26/17/623522617.db2.gz MIEPRTGFOSPDHJ-RDJZCZTQSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670226 623929463 /nfs/dbraw/zinc/92/94/63/623929463.db2.gz JMVLBASDNAWVAZ-IAGOWNOFSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670226 623929469 /nfs/dbraw/zinc/92/94/69/623929469.db2.gz JMVLBASDNAWVAZ-IAGOWNOFSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001024468093 625795345 /nfs/dbraw/zinc/79/53/45/625795345.db2.gz IFPGOLUJEMSDPP-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001024468093 625795346 /nfs/dbraw/zinc/79/53/46/625795346.db2.gz IFPGOLUJEMSDPP-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001024524253 625838106 /nfs/dbraw/zinc/83/81/06/625838106.db2.gz UNLKRZBCRDQYQL-ZWKOTPCHSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001024524253 625838112 /nfs/dbraw/zinc/83/81/12/625838112.db2.gz UNLKRZBCRDQYQL-ZWKOTPCHSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CC[NH2+]C1CC(N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC000999870004 634697242 /nfs/dbraw/zinc/69/72/42/634697242.db2.gz IYVLRGXQMHWAFM-UHFFFAOYSA-N 1 3 301.434 2.127 20 30 DEEDHO C=CCCN1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000981524794 635515095 /nfs/dbraw/zinc/51/50/95/635515095.db2.gz IECBXMDLLFPIOI-KRWDZBQOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCN1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000981524794 635515098 /nfs/dbraw/zinc/51/50/98/635515098.db2.gz IECBXMDLLFPIOI-KRWDZBQOSA-N 1 3 307.482 2.217 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC(C)C)C2)CC1 ZINC000981540556 635522562 /nfs/dbraw/zinc/52/25/62/635522562.db2.gz DTZCLGUSKUAGKD-QZTJIDSGSA-N 1 3 319.493 2.005 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001028181645 635783093 /nfs/dbraw/zinc/78/30/93/635783093.db2.gz XGEXCWUPSQUHCQ-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001028181645 635783096 /nfs/dbraw/zinc/78/30/96/635783096.db2.gz XGEXCWUPSQUHCQ-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001028845380 636784610 /nfs/dbraw/zinc/78/46/10/636784610.db2.gz JWGQBSLRBMGLID-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001028845380 636784611 /nfs/dbraw/zinc/78/46/11/636784611.db2.gz JWGQBSLRBMGLID-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO CC#CCN1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001028919361 636853542 /nfs/dbraw/zinc/85/35/42/636853542.db2.gz UOOHWMZEERBNAF-MSOLQXFVSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CCN1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028919361 636853543 /nfs/dbraw/zinc/85/35/43/636853543.db2.gz UOOHWMZEERBNAF-MSOLQXFVSA-N 1 3 319.493 2.102 20 30 DEEDHO C[C@H](CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)N(C)C ZINC000895297486 637902290 /nfs/dbraw/zinc/90/22/90/637902290.db2.gz WXZZJHHKTORQHG-MRXNPFEDSA-N 1 3 314.477 2.452 20 30 DEEDHO C=CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC000987553391 640219274 /nfs/dbraw/zinc/21/92/74/640219274.db2.gz UORVBRRPQMITOX-PBHICJAKSA-N 1 3 301.434 2.127 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000763974734 640591764 /nfs/dbraw/zinc/59/17/64/640591764.db2.gz YQNFRVCVNPQZRA-CQSZACIVSA-N 1 3 307.463 2.119 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000908230549 644789083 /nfs/dbraw/zinc/78/90/83/644789083.db2.gz PCCKNMIOFWIHMD-AEFFLSMTSA-N 1 3 315.461 2.274 20 30 DEEDHO C=CCN1CC[C@@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC000992365825 646959678 /nfs/dbraw/zinc/95/96/78/646959678.db2.gz DIZZPBXPEWZIFQ-MJGOQNOKSA-N 1 3 319.493 2.406 20 30 DEEDHO C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]21 ZINC000992859046 647309006 /nfs/dbraw/zinc/30/90/06/647309006.db2.gz LXZXRRCUXWCEEW-OKZBNKHCSA-N 1 3 319.493 2.121 20 30 DEEDHO C=C(C)CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CCOC)CC1 ZINC000820810406 647922961 /nfs/dbraw/zinc/92/29/61/647922961.db2.gz WIJGGORGLFYRNW-YQQQUEKLSA-N 1 3 321.509 2.258 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCC)[C@H]2C)CC1 ZINC000994491912 647969732 /nfs/dbraw/zinc/96/97/32/647969732.db2.gz AMQALEATFFVNDS-WMZOPIPTSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCCC)[C@H]2C)CC1 ZINC000994491912 647969735 /nfs/dbraw/zinc/96/97/35/647969735.db2.gz AMQALEATFFVNDS-WMZOPIPTSA-N 1 3 319.493 2.101 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000304763022 685260738 /nfs/dbraw/zinc/26/07/38/685260738.db2.gz WJCRIYLDXZKZRX-OAGGEKHMSA-N 1 3 324.513 2.216 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCCCCSC ZINC000305841233 685303057 /nfs/dbraw/zinc/30/30/57/685303057.db2.gz ZGIULIWNBLULEO-AWEZNQCLSA-N 1 3 300.516 2.298 20 30 DEEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054145003 693862090 /nfs/dbraw/zinc/86/20/90/693862090.db2.gz HIPHICCYRSNQEX-SFHVURJKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054145003 693862092 /nfs/dbraw/zinc/86/20/92/693862092.db2.gz HIPHICCYRSNQEX-SFHVURJKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054144968 693862416 /nfs/dbraw/zinc/86/24/16/693862416.db2.gz GBIDCERMYAKERU-HKUYNNGSSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054144968 693862419 /nfs/dbraw/zinc/86/24/19/693862419.db2.gz GBIDCERMYAKERU-HKUYNNGSSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001054148807 693862845 /nfs/dbraw/zinc/86/28/45/693862845.db2.gz WNMIUPIWHXHLOX-HKUYNNGSSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001054148807 693862847 /nfs/dbraw/zinc/86/28/47/693862847.db2.gz WNMIUPIWHXHLOX-HKUYNNGSSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001016613883 687665217 /nfs/dbraw/zinc/66/52/17/687665217.db2.gz HWTYLKWBUQGAOX-IAGOWNOFSA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000366 688548243 /nfs/dbraw/zinc/54/82/43/688548243.db2.gz BZWXQNJFICBWGM-KRWDZBQOSA-N 1 3 315.461 2.376 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000366 688548245 /nfs/dbraw/zinc/54/82/45/688548245.db2.gz BZWXQNJFICBWGM-KRWDZBQOSA-N 1 3 315.461 2.376 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001033294640 689452028 /nfs/dbraw/zinc/45/20/28/689452028.db2.gz CFBGFMPPIWIJQE-ZWKOTPCHSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001033294640 689452031 /nfs/dbraw/zinc/45/20/31/689452031.db2.gz CFBGFMPPIWIJQE-ZWKOTPCHSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001033470633 689513261 /nfs/dbraw/zinc/51/32/61/689513261.db2.gz BRKLBMWWDWXZBZ-IRXDYDNUSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001033470633 689513262 /nfs/dbraw/zinc/51/32/62/689513262.db2.gz BRKLBMWWDWXZBZ-IRXDYDNUSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCN1CCCC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034251008 689782866 /nfs/dbraw/zinc/78/28/66/689782866.db2.gz USHLZYIWFWBMDC-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCN1CCCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034251008 689782870 /nfs/dbraw/zinc/78/28/70/689782870.db2.gz USHLZYIWFWBMDC-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000876721057 689914834 /nfs/dbraw/zinc/91/48/34/689914834.db2.gz QHSPZFNKPUQZND-MRXNPFEDSA-N 1 3 321.852 2.369 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000876723782 689916172 /nfs/dbraw/zinc/91/61/72/689916172.db2.gz HIVPITZFZFYFGH-AWEZNQCLSA-N 1 3 301.862 2.227 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000876723782 689916174 /nfs/dbraw/zinc/91/61/74/689916174.db2.gz HIVPITZFZFYFGH-AWEZNQCLSA-N 1 3 301.862 2.227 20 30 DEEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000876735231 689920847 /nfs/dbraw/zinc/92/08/47/689920847.db2.gz BZLIZZYKCAYZQX-BMFZPTHFSA-N 1 3 321.852 2.408 20 30 DEEDHO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035226377 690066110 /nfs/dbraw/zinc/06/61/10/690066110.db2.gz HLRUJVAQAGWORN-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035226377 690066113 /nfs/dbraw/zinc/06/61/13/690066113.db2.gz HLRUJVAQAGWORN-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001036222969 690295237 /nfs/dbraw/zinc/29/52/37/690295237.db2.gz CTMIAPBSFJGMPY-SJORKVTESA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1CC ZINC001037863349 690626643 /nfs/dbraw/zinc/62/66/43/690626643.db2.gz XUHHGXADARLEHO-RDJZCZTQSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCN1CC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001039040275 691000406 /nfs/dbraw/zinc/00/04/06/691000406.db2.gz QBKNDHHRHGTQJS-KRWDZBQOSA-N 1 3 301.434 2.128 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039116971 691023971 /nfs/dbraw/zinc/02/39/71/691023971.db2.gz UWCCTKSKPBMUAS-ZWKOTPCHSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039116971 691023974 /nfs/dbraw/zinc/02/39/74/691023974.db2.gz UWCCTKSKPBMUAS-ZWKOTPCHSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001039159726 691035458 /nfs/dbraw/zinc/03/54/58/691035458.db2.gz XBIKXAUNSILMME-IRXDYDNUSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001039159726 691035459 /nfs/dbraw/zinc/03/54/59/691035459.db2.gz XBIKXAUNSILMME-IRXDYDNUSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039239651 691064575 /nfs/dbraw/zinc/06/45/75/691064575.db2.gz UGUJNJGEXCJVCL-RDJZCZTQSA-N 1 3 316.449 2.231 20 30 DEEDHO C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039239651 691064576 /nfs/dbraw/zinc/06/45/76/691064576.db2.gz UGUJNJGEXCJVCL-RDJZCZTQSA-N 1 3 316.449 2.231 20 30 DEEDHO C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001040250548 691220296 /nfs/dbraw/zinc/22/02/96/691220296.db2.gz QVVVNNDOENQHAS-FUHWJXTLSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001040250548 691220299 /nfs/dbraw/zinc/22/02/99/691220299.db2.gz QVVVNNDOENQHAS-FUHWJXTLSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001040542928 691263496 /nfs/dbraw/zinc/26/34/96/691263496.db2.gz GRAFEUBGJMFHBH-MJGOQNOKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001040542928 691263499 /nfs/dbraw/zinc/26/34/99/691263499.db2.gz GRAFEUBGJMFHBH-MJGOQNOKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041673286 691408471 /nfs/dbraw/zinc/40/84/71/691408471.db2.gz WLTQJDZDFFMROG-LJQANCHMSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041673286 691408472 /nfs/dbraw/zinc/40/84/72/691408472.db2.gz WLTQJDZDFFMROG-LJQANCHMSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001045963612 692063876 /nfs/dbraw/zinc/06/38/76/692063876.db2.gz LTMPZCGGGNRMOA-IEBWSBKVSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001045963612 692063878 /nfs/dbraw/zinc/06/38/78/692063878.db2.gz LTMPZCGGGNRMOA-IEBWSBKVSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)[C@@H](CO)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000886646481 692146441 /nfs/dbraw/zinc/14/64/41/692146441.db2.gz KETRZTZKZSBPRI-IPMKNSEASA-N 1 3 300.446 2.377 20 30 DEEDHO C=C(C)[C@@H](CO)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000886646481 692146443 /nfs/dbraw/zinc/14/64/43/692146443.db2.gz KETRZTZKZSBPRI-IPMKNSEASA-N 1 3 300.446 2.377 20 30 DEEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001049615453 692940483 /nfs/dbraw/zinc/94/04/83/692940483.db2.gz KCSJPADCBROVDI-KURKYZTESA-N 1 3 317.477 2.112 20 30 DEEDHO C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001050545377 693204566 /nfs/dbraw/zinc/20/45/66/693204566.db2.gz CSXKNAIOOPZNJI-KRWDZBQOSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CC[NH+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001050663009 693226971 /nfs/dbraw/zinc/22/69/71/693226971.db2.gz PQILNELBFWFSAQ-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(OCC#N)cc1 ZINC000925786163 693341455 /nfs/dbraw/zinc/34/14/55/693341455.db2.gz WKBRUHXHSYAODV-JSGCOSHPSA-N 1 3 309.360 2.484 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001052375980 693518435 /nfs/dbraw/zinc/51/84/35/693518435.db2.gz ARHRMBCBJAVUIZ-KRWDZBQOSA-N 1 3 319.493 2.245 20 30 DEEDHO CC#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001052375980 693518438 /nfs/dbraw/zinc/51/84/38/693518438.db2.gz ARHRMBCBJAVUIZ-KRWDZBQOSA-N 1 3 319.493 2.245 20 30 DEEDHO CC#CCN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001052651726 693588647 /nfs/dbraw/zinc/58/86/47/693588647.db2.gz MNTIHXKTJKGDDH-QZTJIDSGSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CCN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001052651726 693588649 /nfs/dbraw/zinc/58/86/49/693588649.db2.gz MNTIHXKTJKGDDH-QZTJIDSGSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(Cl)CN[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001402329190 1162325909 /nfs/dbraw/zinc/32/59/09/1162325909.db2.gz MKUMURLLTNWBSH-AWEZNQCLSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001382020936 1153320355 /nfs/dbraw/zinc/32/03/55/1153320355.db2.gz XLTWITRZKNSXTE-RBSFLKMASA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001393738490 1157942740 /nfs/dbraw/zinc/94/27/40/1157942740.db2.gz LIQJCXIXKFHMQM-CQSZACIVSA-N 1 3 313.873 2.194 20 30 DEEDHO C=C(C)CN(C)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001571613981 1159871565 /nfs/dbraw/zinc/87/15/65/1159871565.db2.gz QADAYTZIHRPABE-IRXDYDNUSA-N 1 3 309.498 2.462 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001438771282 1180808588 /nfs/dbraw/zinc/80/85/88/1180808588.db2.gz PJJDFDWRATYUMZ-GJZGRUSLSA-N 1 3 315.889 2.296 20 30 DEEDHO C=C(Cl)CNC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001408303153 1165574624 /nfs/dbraw/zinc/57/46/24/1165574624.db2.gz ZJJSSVYXKAHMMY-HIFRSBDPSA-N 1 3 313.873 2.051 20 30 DEEDHO C=CCCCCC[NH+]1CCC(N2CCC(C(N)=O)CC2)CC1 ZINC001209429207 776712218 /nfs/dbraw/zinc/71/22/18/776712218.db2.gz WLKSWOFGNCSVCE-UHFFFAOYSA-N 1 3 307.482 2.395 20 30 DEEDHO C=C(Cl)C[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167223835 776780040 /nfs/dbraw/zinc/78/00/40/776780040.db2.gz BCGXQLRDXQWTEL-CQSZACIVSA-N 1 3 313.873 2.099 20 30 DEEDHO C=C(C)CC[NH2+]C1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001100681233 777709028 /nfs/dbraw/zinc/70/90/28/777709028.db2.gz CFSHMUPUACIEIG-UHFFFAOYSA-N 1 3 309.498 2.415 20 30 DEEDHO C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105067384 778322991 /nfs/dbraw/zinc/32/29/91/778322991.db2.gz YJCYSBUUDVXJGF-IAGOWNOFSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)CC[N@H+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073454387 790665738 /nfs/dbraw/zinc/66/57/38/790665738.db2.gz LMBOESUBOCKEGU-CALCHBBNSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073454387 790665741 /nfs/dbraw/zinc/66/57/41/790665741.db2.gz LMBOESUBOCKEGU-CALCHBBNSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001075784793 779232790 /nfs/dbraw/zinc/23/27/90/779232790.db2.gz HWDUNKVCUUPABZ-RCCFBDPRSA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001075784793 779232795 /nfs/dbraw/zinc/23/27/95/779232795.db2.gz HWDUNKVCUUPABZ-RCCFBDPRSA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)CN1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1CC ZINC001087640635 779393168 /nfs/dbraw/zinc/39/31/68/779393168.db2.gz ODLXBOURPUWGQQ-JKSUJKDBSA-N 1 3 305.466 2.160 20 30 DEEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001088768915 780969295 /nfs/dbraw/zinc/96/92/95/780969295.db2.gz JVPTZEBMFXXXCG-HYVNUMGLSA-N 1 3 305.466 2.016 20 30 DEEDHO C=C(C)C[NH2+]C1CC(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001091376462 791128374 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DEEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C ZINC001133123044 788287991 /nfs/dbraw/zinc/28/79/91/788287991.db2.gz XYZDCMADVARUMQ-IAGOWNOFSA-N 1 3 321.509 2.062 20 30 DEEDHO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369909 788900466 /nfs/dbraw/zinc/90/04/66/788900466.db2.gz USLJCTUUHJXSNB-JKSUJKDBSA-N 1 3 307.482 2.147 20 30 DEEDHO C=C(C)CN1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001071600045 789804017 /nfs/dbraw/zinc/80/40/17/789804017.db2.gz FERLHGRTXHXIID-IRXDYDNUSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCN1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001072813374 790256767 /nfs/dbraw/zinc/25/67/67/790256767.db2.gz PEXDKKCGIZDWNK-KRWDZBQOSA-N 1 3 317.477 2.114 20 30 DEEDHO C=CCN1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001072813374 790256771 /nfs/dbraw/zinc/25/67/71/790256771.db2.gz PEXDKKCGIZDWNK-KRWDZBQOSA-N 1 3 317.477 2.114 20 30 DEEDHO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001146582406 791316753 /nfs/dbraw/zinc/31/67/53/791316753.db2.gz HCMXWVOZFJWWMP-HUUCEWRRSA-N 1 3 303.450 2.421 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCC(C)C)CC1 ZINC001146610391 791322787 /nfs/dbraw/zinc/32/27/87/791322787.db2.gz JAJUMIWEHRMCJR-DLBZAZTESA-N 1 3 321.509 2.251 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC=C(C)C)CC1 ZINC001146613965 791324408 /nfs/dbraw/zinc/32/44/08/791324408.db2.gz WBBNOZYZYHLIGV-IAGOWNOFSA-N 1 3 319.493 2.171 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091666501 791636230 /nfs/dbraw/zinc/63/62/30/791636230.db2.gz AMNHPTAMPVPQLD-LMMKCTJWSA-N 1 3 319.493 2.216 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091666501 791636233 /nfs/dbraw/zinc/63/62/33/791636233.db2.gz AMNHPTAMPVPQLD-LMMKCTJWSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001148226527 791715412 /nfs/dbraw/zinc/71/54/12/791715412.db2.gz IOBAJHUNFPUVMJ-MRXNPFEDSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001148226527 791715423 /nfs/dbraw/zinc/71/54/23/791715423.db2.gz IOBAJHUNFPUVMJ-MRXNPFEDSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001086883038 791836325 /nfs/dbraw/zinc/83/63/25/791836325.db2.gz FOYCXVRNQNVKIH-DOTOQJQBSA-N 1 3 315.461 2.422 20 30 DEEDHO CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001086943344 791857648 /nfs/dbraw/zinc/85/76/48/791857648.db2.gz RKWIXVFCUGLVDS-SJORKVTESA-N 1 3 319.493 2.053 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C(C)C ZINC001099551699 792239354 /nfs/dbraw/zinc/23/93/54/792239354.db2.gz BPOBKWUYRODDBM-MLHJIOFPSA-N 1 3 319.493 2.072 20 30 DEEDHO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C(C)C ZINC001099551699 792239365 /nfs/dbraw/zinc/23/93/65/792239365.db2.gz BPOBKWUYRODDBM-MLHJIOFPSA-N 1 3 319.493 2.072 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101364081 793133997 /nfs/dbraw/zinc/13/39/97/793133997.db2.gz MOODZVICQNNRKV-SCTDSRPQSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101364081 793133999 /nfs/dbraw/zinc/13/39/99/793133999.db2.gz MOODZVICQNNRKV-SCTDSRPQSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001101522215 793204832 /nfs/dbraw/zinc/20/48/32/793204832.db2.gz QDIRHHQNPSHFPB-MRXNPFEDSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001103614923 794159536 /nfs/dbraw/zinc/15/95/36/794159536.db2.gz WKMVSLNWDXDCDU-UKRRQHHQSA-N 1 3 315.889 2.155 20 30 DEEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CC)C1 ZINC001103614923 794159539 /nfs/dbraw/zinc/15/95/39/794159539.db2.gz WKMVSLNWDXDCDU-UKRRQHHQSA-N 1 3 315.889 2.155 20 30 DEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001176925787 794529716 /nfs/dbraw/zinc/52/97/16/794529716.db2.gz BRKVIJDJKHLYFG-KRWDZBQOSA-N 1 3 321.509 2.110 20 30 DEEDHO C=C(Cl)CNCCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001176992467 794551957 /nfs/dbraw/zinc/55/19/57/794551957.db2.gz QBOUODBLPFGKGL-OAHLLOKOSA-N 1 3 315.889 2.345 20 30 DEEDHO CC#CC[NH2+]C1(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CCCCC1 ZINC001120190543 795419358 /nfs/dbraw/zinc/41/93/58/795419358.db2.gz UYNXDVSBMGLALM-IRXDYDNUSA-N 1 3 319.493 2.291 20 30 DEEDHO CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001120439484 795459362 /nfs/dbraw/zinc/45/93/62/795459362.db2.gz HBBISEIFFLMBHV-MSOLQXFVSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001120439484 795459367 /nfs/dbraw/zinc/45/93/67/795459367.db2.gz HBBISEIFFLMBHV-MSOLQXFVSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCCC[C@@H](N)C(=O)N1C[C@H](CC[NH3+])Cc2ccccc21 ZINC001122336291 795748556 /nfs/dbraw/zinc/74/85/56/795748556.db2.gz UZANXMPXZDDROA-GDBMZVCRSA-N 1 3 301.434 2.224 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C ZINC001185167185 796200171 /nfs/dbraw/zinc/20/01/71/796200171.db2.gz CXDHBPMOASZHFW-DLBZAZTESA-N 1 3 321.509 2.369 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001185359976 796238727 /nfs/dbraw/zinc/23/87/27/796238727.db2.gz MTETYYXCFIZBQU-ZWKOTPCHSA-N 1 3 321.509 2.369 20 30 DEEDHO C=CCC[N@H+]1CC=C(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001161205904 796451625 /nfs/dbraw/zinc/45/16/25/796451625.db2.gz HRXPYYDOXULABE-INIZCTEOSA-N 1 3 305.466 2.043 20 30 DEEDHO C=CCC[N@@H+]1CC=C(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001161205904 796451629 /nfs/dbraw/zinc/45/16/29/796451629.db2.gz HRXPYYDOXULABE-INIZCTEOSA-N 1 3 305.466 2.043 20 30 DEEDHO C=CCC[N@H+]1CC=C(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001161205907 796474728 /nfs/dbraw/zinc/47/47/28/796474728.db2.gz HRXPYYDOXULABE-MRXNPFEDSA-N 1 3 305.466 2.043 20 30 DEEDHO C=CCC[N@@H+]1CC=C(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001161205907 796474732 /nfs/dbraw/zinc/47/47/32/796474732.db2.gz HRXPYYDOXULABE-MRXNPFEDSA-N 1 3 305.466 2.043 20 30 DEEDHO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203027106 796512789 /nfs/dbraw/zinc/51/27/89/796512789.db2.gz CMYPBGVGHGJGCP-JKSUJKDBSA-N 1 3 319.493 2.454 20 30 DEEDHO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001189389234 796816770 /nfs/dbraw/zinc/81/67/70/796816770.db2.gz IWYUDRCEBVSOAA-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001189389234 796816768 /nfs/dbraw/zinc/81/67/68/796816768.db2.gz IWYUDRCEBVSOAA-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203792314 797708438 /nfs/dbraw/zinc/70/84/38/797708438.db2.gz OSSASHFPWMLTIL-HOTGVXAUSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCCC[N@H+]1CCCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001198221681 798295654 /nfs/dbraw/zinc/29/56/54/798295654.db2.gz MWWZKCCEMMFPMU-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@@H+]1CCCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001198221681 798295657 /nfs/dbraw/zinc/29/56/57/798295657.db2.gz MWWZKCCEMMFPMU-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(Cl)CNCCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001159900936 798624005 /nfs/dbraw/zinc/62/40/05/798624005.db2.gz DTOPFILKZJUATG-AWEZNQCLSA-N 1 3 301.862 2.098 20 30 DEEDHO C=C(Cl)CNCCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001159900936 798624010 /nfs/dbraw/zinc/62/40/10/798624010.db2.gz DTOPFILKZJUATG-AWEZNQCLSA-N 1 3 301.862 2.098 20 30 DEEDHO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)N(C)C ZINC001114463521 799128854 /nfs/dbraw/zinc/12/88/54/799128854.db2.gz IWUMUQUNWVOMKG-TWMKSMIVSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)N(C)C ZINC001114463521 799128858 /nfs/dbraw/zinc/12/88/58/799128858.db2.gz IWUMUQUNWVOMKG-TWMKSMIVSA-N 1 3 307.482 2.119 20 30 DEEDHO CC#CCN(CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154481787 799522008 /nfs/dbraw/zinc/52/20/08/799522008.db2.gz UWUHNAQPELEDLA-QGZVFWFLSA-N 1 3 321.509 2.348 20 30 DEEDHO CN(C)C1(CNc2ccc3c(c2)CC/C3=N/O)CC[NH+](C)CC1 ZINC001164217191 799542726 /nfs/dbraw/zinc/54/27/26/799542726.db2.gz RGKWSHHECOVAPV-JZJYNLBNSA-N 1 3 316.449 2.249 20 30 DEEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1CC(C)C)C2 ZINC001095668582 799688174 /nfs/dbraw/zinc/68/81/74/799688174.db2.gz RXAFAEMPABWMLR-OWSLCNJRSA-N 1 3 319.493 2.404 20 30 DEEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1CC(C)C)C2 ZINC001095668582 799688178 /nfs/dbraw/zinc/68/81/78/799688178.db2.gz RXAFAEMPABWMLR-OWSLCNJRSA-N 1 3 319.493 2.404 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001208113880 800915451 /nfs/dbraw/zinc/91/54/51/800915451.db2.gz JSXOPSGWJJBFHN-KBAYOESNSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001208113880 800915453 /nfs/dbraw/zinc/91/54/53/800915453.db2.gz JSXOPSGWJJBFHN-KBAYOESNSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCCCC[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001209201150 801149591 /nfs/dbraw/zinc/14/95/91/801149591.db2.gz VUABOXQUVIZNSS-UHFFFAOYSA-N 1 3 317.477 2.167 20 30 DEEDHO C=CCCCC[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001209201150 801149595 /nfs/dbraw/zinc/14/95/95/801149595.db2.gz VUABOXQUVIZNSS-UHFFFAOYSA-N 1 3 317.477 2.167 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001229933088 801338347 /nfs/dbraw/zinc/33/83/47/801338347.db2.gz FVCWJKJJDGOEIX-HUUCEWRRSA-N 1 3 304.438 2.244 20 30 DEEDHO CC#CCN[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211261843 801539476 /nfs/dbraw/zinc/53/94/76/801539476.db2.gz DULSPLYNIDTZLR-ZWKOTPCHSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001216845058 802031984 /nfs/dbraw/zinc/03/19/84/802031984.db2.gz VRNOVNCWPMXFNW-ZACQAIPSSA-N 1 3 307.482 2.264 20 30 DEEDHO N#Cc1ccc(-c2ccccc2NC(=O)[C@@H](N)CCC[NH3+])cc1 ZINC001219270469 802303817 /nfs/dbraw/zinc/30/38/17/802303817.db2.gz KKEFRTSCGXATJB-INIZCTEOSA-N 1 3 308.385 2.230 20 30 DEEDHO C=CCCCCC[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221332901 802557132 /nfs/dbraw/zinc/55/71/32/802557132.db2.gz OAMSNVFWIQCORP-ROUUACIJSA-N 1 3 315.461 2.362 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001221631526 802599211 /nfs/dbraw/zinc/59/92/11/802599211.db2.gz VEANENBFWWFQQO-ZACQAIPSSA-N 1 3 307.482 2.072 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001221631526 802599209 /nfs/dbraw/zinc/59/92/09/802599209.db2.gz VEANENBFWWFQQO-ZACQAIPSSA-N 1 3 307.482 2.072 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1C(C)C ZINC001226170996 803064919 /nfs/dbraw/zinc/06/49/19/803064919.db2.gz USQMZNTUBPGVMP-BRWVUGGUSA-N 1 3 307.482 2.452 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1CCC ZINC001226615734 803131246 /nfs/dbraw/zinc/13/12/46/803131246.db2.gz YRAXLELEFKXUGS-ZACQAIPSSA-N 1 3 307.482 2.454 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001228435153 803360282 /nfs/dbraw/zinc/36/02/82/803360282.db2.gz MDVRNTVRRZRZDQ-RBSFLKMASA-N 1 3 315.889 2.342 20 30 DEEDHO C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001501670098 1059624939 /nfs/dbraw/zinc/62/49/39/1059624939.db2.gz HIUVTKXUICPXFP-SFHVURJKSA-N 1 3 315.461 2.262 20 30 DEEDHO C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001501670098 1059624947 /nfs/dbraw/zinc/62/49/47/1059624947.db2.gz HIUVTKXUICPXFP-SFHVURJKSA-N 1 3 315.461 2.262 20 30 DEEDHO C=C(C)[C@H](CO)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001473807161 1060731890 /nfs/dbraw/zinc/73/18/90/1060731890.db2.gz KETRZTZKZSBPRI-QYZOEREBSA-N 1 3 300.446 2.377 20 30 DEEDHO C=C(C)[C@H](CO)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001473807161 1060731907 /nfs/dbraw/zinc/73/19/07/1060731907.db2.gz KETRZTZKZSBPRI-QYZOEREBSA-N 1 3 300.446 2.377 20 30 DEEDHO C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001505775484 1060955254 /nfs/dbraw/zinc/95/52/54/1060955254.db2.gz YHMLJDZZZQEPDL-OFLPRAFFSA-N 1 3 307.482 2.406 20 30 DEEDHO CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001479830878 1061860209 /nfs/dbraw/zinc/86/02/09/1061860209.db2.gz RJNJUMHMVFCUOA-SJORKVTESA-N 1 3 321.509 2.347 20 30 DEEDHO CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001479830859 1061860772 /nfs/dbraw/zinc/86/07/72/1061860772.db2.gz RJNJUMHMVFCUOA-DLBZAZTESA-N 1 3 321.509 2.347 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001507408503 1063243256 /nfs/dbraw/zinc/24/32/56/1063243256.db2.gz GQVGSKVOWOZAGX-CVEARBPZSA-N 1 3 307.482 2.311 20 30 DEEDHO C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001567634825 1064295549 /nfs/dbraw/zinc/29/55/49/1064295549.db2.gz RNKFTTHFVYUOFZ-FUHWJXTLSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001568067771 1064630297 /nfs/dbraw/zinc/63/02/97/1064630297.db2.gz INFSLAPOVWLQQR-GJZGRUSLSA-N 1 3 315.889 2.297 20 30 DEEDHO CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001568412277 1064850071 /nfs/dbraw/zinc/85/00/71/1064850071.db2.gz QFKXBEPGMVCPCZ-DLBZAZTESA-N 1 3 321.509 2.204 20 30 DEEDHO C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCN1CCC)C1CCCCC1 ZINC001496313146 1065401874 /nfs/dbraw/zinc/40/18/74/1065401874.db2.gz VYQCCRPSZXZEPU-ZWKOTPCHSA-N 1 3 319.493 2.149 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001496338107 1065414807 /nfs/dbraw/zinc/41/48/07/1065414807.db2.gz AWJLRHVWXSQTOH-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCCN1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001569386857 1065484979 /nfs/dbraw/zinc/48/49/79/1065484979.db2.gz WZDXBBSGTCDAPE-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001569865481 1065777838 /nfs/dbraw/zinc/77/78/38/1065777838.db2.gz ZZUJHVUVJSTWNF-KZNAEPCWSA-N 1 3 321.509 2.108 20 30 DEEDHO CCCN(CC[NH+]1CCCCCC1)C(=O)[C@H](N)CCCC#N ZINC001577524153 1066867198 /nfs/dbraw/zinc/86/71/98/1066867198.db2.gz XDDMNEZBGXHMFL-MRXNPFEDSA-N 1 3 308.470 2.122 20 30 DEEDHO N#CCCC[C@@H](N)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001580049460 1067482245 /nfs/dbraw/zinc/48/22/45/1067482245.db2.gz RQUBIYJXOVLVSC-MRXNPFEDSA-N 1 3 320.481 2.170 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001571017373 1068174332 /nfs/dbraw/zinc/17/43/32/1068174332.db2.gz ZBKZLZQLPWPGPS-BBWFWOEESA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001571017373 1068174334 /nfs/dbraw/zinc/17/43/34/1068174334.db2.gz ZBKZLZQLPWPGPS-BBWFWOEESA-N 1 3 319.493 2.264 20 30 DEEDHO C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001571534895 1068403129 /nfs/dbraw/zinc/40/31/29/1068403129.db2.gz USPYMALPHFPTOM-SJORKVTESA-N 1 3 319.493 2.149 20 30 DEEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001571558071 1068418916 /nfs/dbraw/zinc/41/89/16/1068418916.db2.gz AXPFCRXPDUIPAF-OAHLLOKOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001267302959 1078749352 /nfs/dbraw/zinc/74/93/52/1078749352.db2.gz JCRBAVQFPINYKS-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001267302959 1078749356 /nfs/dbraw/zinc/74/93/56/1078749356.db2.gz JCRBAVQFPINYKS-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCCN1CC[C@H](N(CCC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001267550815 1078982797 /nfs/dbraw/zinc/98/27/97/1078982797.db2.gz ZWDCAKQTCSRJIT-SFHVURJKSA-N 1 3 319.493 2.199 20 30 DEEDHO CC#CCN(CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001566601056 1075293940 /nfs/dbraw/zinc/29/39/40/1075293940.db2.gz VIFSBCXYYOFHFJ-FUHWJXTLSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001566927421 1075389508 /nfs/dbraw/zinc/38/95/08/1075389508.db2.gz QJUSVXPRFIIANS-QGZVFWFLSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001566966332 1075403069 /nfs/dbraw/zinc/40/30/69/1075403069.db2.gz UFNQJXCYUDWBIB-HZPDHXFCSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001566966332 1075403072 /nfs/dbraw/zinc/40/30/72/1075403072.db2.gz UFNQJXCYUDWBIB-HZPDHXFCSA-N 1 3 309.498 2.367 20 30 DEEDHO CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001484574593 1079667227 /nfs/dbraw/zinc/66/72/27/1079667227.db2.gz GRBIGOHHIAHKPG-VPLLLXJESA-N 1 3 319.493 2.147 20 30 DEEDHO C#CCC[N@@H+](CCCNC(=O)[C@H]1CCCCN1CC)C(C)C ZINC001481358562 1079753785 /nfs/dbraw/zinc/75/37/85/1079753785.db2.gz VHQYSHGEMMEPHH-QGZVFWFLSA-N 1 3 307.482 2.101 20 30 DEEDHO C#CCC[N@H+](CCCNC(=O)[C@H]1CCCCN1CC)C(C)C ZINC001481358562 1079753791 /nfs/dbraw/zinc/75/37/91/1079753791.db2.gz VHQYSHGEMMEPHH-QGZVFWFLSA-N 1 3 307.482 2.101 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001268084446 1080039498 /nfs/dbraw/zinc/03/94/98/1080039498.db2.gz FVNSMNBMIZZDFQ-PBHICJAKSA-N 1 3 313.461 2.212 20 30 DEEDHO C=CC[N@@H+](C)CCC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001268201396 1080188298 /nfs/dbraw/zinc/18/82/98/1080188298.db2.gz LPBQVAWHBIQLPI-QGZVFWFLSA-N 1 3 309.498 2.319 20 30 DEEDHO C=CC[N@H+](C)CCC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001268201396 1080188307 /nfs/dbraw/zinc/18/83/07/1080188307.db2.gz LPBQVAWHBIQLPI-QGZVFWFLSA-N 1 3 309.498 2.319 20 30 DEEDHO C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)N1CCCCC1 ZINC001485810146 1080450351 /nfs/dbraw/zinc/45/03/51/1080450351.db2.gz CIXJRTMTXZKTGM-QGZVFWFLSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001661782945 1080523058 /nfs/dbraw/zinc/52/30/58/1080523058.db2.gz KCMBAFLNJBFCIN-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001664462340 1080912410 /nfs/dbraw/zinc/91/24/10/1080912410.db2.gz FXHBMCZOTCKBIQ-DOTOQJQBSA-N 1 3 309.498 2.365 20 30 DEEDHO C=CC[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001269552853 1081286646 /nfs/dbraw/zinc/28/66/46/1081286646.db2.gz JLCLGWJGXMQVLX-KRWDZBQOSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001269552853 1081286649 /nfs/dbraw/zinc/28/66/49/1081286649.db2.gz JLCLGWJGXMQVLX-KRWDZBQOSA-N 1 3 307.482 2.073 20 30 DEEDHO CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1CCC)C(C)(C)C ZINC001284600053 1081340052 /nfs/dbraw/zinc/34/00/52/1081340052.db2.gz YJFYSJRBERPMSK-HOTGVXAUSA-N 1 3 307.482 2.005 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001269737806 1081351026 /nfs/dbraw/zinc/35/10/26/1081351026.db2.gz UUCVJZWBMIOJFW-IEBWSBKVSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001269737806 1081351031 /nfs/dbraw/zinc/35/10/31/1081351031.db2.gz UUCVJZWBMIOJFW-IEBWSBKVSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001674499219 1081884057 /nfs/dbraw/zinc/88/40/57/1081884057.db2.gz FOICPXIKRUGCHC-IAGOWNOFSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCCC[NH2+]CC1CC(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001674542591 1081888336 /nfs/dbraw/zinc/88/83/36/1081888336.db2.gz XKKXKKYXFVUCNU-JCYILVPMSA-N 1 3 307.482 2.310 20 30 DEEDHO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001276886415 1083666255 /nfs/dbraw/zinc/66/62/55/1083666255.db2.gz IMMMRCRTWNNYFC-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001276886415 1083666262 /nfs/dbraw/zinc/66/62/62/1083666262.db2.gz IMMMRCRTWNNYFC-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CC(C)(C)CN(C)C ZINC001272870638 1084400451 /nfs/dbraw/zinc/40/04/51/1084400451.db2.gz RRSKVIRQIBQOPM-SFHVURJKSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC(C)(C)CN(C)C ZINC001272870638 1084400455 /nfs/dbraw/zinc/40/04/55/1084400455.db2.gz RRSKVIRQIBQOPM-SFHVURJKSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[NH2+]C1CC2(CC(NC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC000965933070 1085700922 /nfs/dbraw/zinc/70/09/22/1085700922.db2.gz LMIAWDSWCQPADF-RSOWUBFDSA-N 1 3 305.466 2.062 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315805 1086405423 /nfs/dbraw/zinc/40/54/23/1086405423.db2.gz YZGDYAKXSRPJNM-FUHWJXTLSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315805 1086405424 /nfs/dbraw/zinc/40/54/24/1086405424.db2.gz YZGDYAKXSRPJNM-FUHWJXTLSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[NH+]1CCC2(CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC000957606040 1088453287 /nfs/dbraw/zinc/45/32/87/1088453287.db2.gz WWFOGRABQJFSJZ-KRWDZBQOSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001671075731 1091731454 /nfs/dbraw/zinc/73/14/54/1091731454.db2.gz WXCQDALDPJKFAQ-SJLPKXTDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001671075731 1091731462 /nfs/dbraw/zinc/73/14/62/1091731462.db2.gz WXCQDALDPJKFAQ-SJLPKXTDSA-N 1 3 307.482 2.217 20 30 DEEDHO CC#CCN1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000948716801 1091898495 /nfs/dbraw/zinc/89/84/95/1091898495.db2.gz FRJGSVNYHUOFGX-OKZBNKHCSA-N 1 3 319.493 2.053 20 30 DEEDHO CC#CCN1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000948716801 1091898501 /nfs/dbraw/zinc/89/85/01/1091898501.db2.gz FRJGSVNYHUOFGX-OKZBNKHCSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000948769764 1091925917 /nfs/dbraw/zinc/92/59/17/1091925917.db2.gz DMZWHDCADJQHGJ-QGZVFWFLSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000948769764 1091925921 /nfs/dbraw/zinc/92/59/21/1091925921.db2.gz DMZWHDCADJQHGJ-QGZVFWFLSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CC[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001278004973 1138405841 /nfs/dbraw/zinc/40/58/41/1138405841.db2.gz ICUVVTHZDUJOPC-KRWDZBQOSA-N 1 3 301.434 2.128 20 30 DEEDHO C#CC[NH2+]C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C1CCCC1 ZINC001278276896 1138872331 /nfs/dbraw/zinc/87/23/31/1138872331.db2.gz ZCJBWZQUIQPPFL-WMZOPIPTSA-N 1 3 319.493 2.149 20 30 DEEDHO C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001318782881 1140415336 /nfs/dbraw/zinc/41/53/36/1140415336.db2.gz ZHNXSWIJHZSIKA-CABCVRRESA-N 1 3 313.873 2.051 20 30 DEEDHO C#CC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CCCCC1 ZINC001319658798 1140645672 /nfs/dbraw/zinc/64/56/72/1140645672.db2.gz BADWTOJVUFVLLP-QGZVFWFLSA-N 1 3 319.493 2.149 20 30 DEEDHO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CCN[C@@H](C)C1)CC2 ZINC001246730680 1141045488 /nfs/dbraw/zinc/04/54/88/1141045488.db2.gz AEHLSSKYPSUMFG-BQFCYCMXSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CCN[C@@H](C)C1)CC2 ZINC001246730680 1141045496 /nfs/dbraw/zinc/04/54/96/1141045496.db2.gz AEHLSSKYPSUMFG-BQFCYCMXSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]21 ZINC001278496205 1141650712 /nfs/dbraw/zinc/65/07/12/1141650712.db2.gz YNFIHHUURUMKGU-YESZJQIVSA-N 1 3 307.482 2.119 20 30 DEEDHO C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001323640251 1141873155 /nfs/dbraw/zinc/87/31/55/1141873155.db2.gz CQITWIQAXYCBBR-ROUUACIJSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCN1C(C)C)C1CCCC1 ZINC001324470898 1142083375 /nfs/dbraw/zinc/08/33/75/1142083375.db2.gz TXWAOXADEZVQBL-QZTJIDSGSA-N 1 3 319.493 2.147 20 30 DEEDHO C=C(C)C[NH+]1CCC(C)(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001278627295 1142375549 /nfs/dbraw/zinc/37/55/49/1142375549.db2.gz OGEJPJVLMLPNDH-INIZCTEOSA-N 1 3 307.482 2.123 20 30 DEEDHO C=CCC[NH2+][C@H]1CN(C(=O)[C@H]2CCCN2C(C)C)CC1(C)C ZINC001278639864 1142567173 /nfs/dbraw/zinc/56/71/73/1142567173.db2.gz MYTYNQWBVQXOLB-CVEARBPZSA-N 1 3 307.482 2.262 20 30 DEEDHO CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001265697169 1144729985 /nfs/dbraw/zinc/72/99/85/1144729985.db2.gz PCXOSJLRGMCJGI-ZWKOTPCHSA-N 1 3 319.493 2.197 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001265697169 1144729986 /nfs/dbraw/zinc/72/99/86/1144729986.db2.gz PCXOSJLRGMCJGI-ZWKOTPCHSA-N 1 3 319.493 2.197 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001265982596 1144776531 /nfs/dbraw/zinc/77/65/31/1144776531.db2.gz IAHXRMHAILNFNI-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)CCC)C2 ZINC001279236734 1144819675 /nfs/dbraw/zinc/81/96/75/1144819675.db2.gz LUTFYQWUSCPCEX-BJWYYQGGSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)CCC)C2 ZINC001279236734 1144819676 /nfs/dbraw/zinc/81/96/76/1144819676.db2.gz LUTFYQWUSCPCEX-BJWYYQGGSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)CCC)C[C@H]21 ZINC001284104935 1145799998 /nfs/dbraw/zinc/79/99/98/1145799998.db2.gz ZXIRSEKEZLFZOL-GVDBMIGSSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001365924970 1146913120 /nfs/dbraw/zinc/91/31/20/1146913120.db2.gz MZRVYCBSMRXDQE-ZIAGYGMSSA-N 1 3 301.862 2.050 20 30 DEEDHO C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001316804442 1147603116 /nfs/dbraw/zinc/60/31/16/1147603116.db2.gz LDLVKHJLKVFDIT-KRWDZBQOSA-N 1 3 321.509 2.301 20 30 DEEDHO C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001316804442 1147603120 /nfs/dbraw/zinc/60/31/20/1147603120.db2.gz LDLVKHJLKVFDIT-KRWDZBQOSA-N 1 3 321.509 2.301 20 30 DEEDHO C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001316999204 1147646796 /nfs/dbraw/zinc/64/67/96/1147646796.db2.gz SZMSZZCSWRTVDX-HNNXBMFYSA-N 1 3 305.466 2.018 20 30 DEEDHO C#CCNC[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001317200603 1147675442 /nfs/dbraw/zinc/67/54/42/1147675442.db2.gz RZRBQBDWXBTSEN-ZWKOTPCHSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCN[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001317721016 1147747185 /nfs/dbraw/zinc/74/71/85/1147747185.db2.gz QTGDFYUUHUWOQC-ROUUACIJSA-N 1 3 315.461 2.494 20 30 DEEDHO C=CCN[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001317721016 1147747187 /nfs/dbraw/zinc/74/71/87/1147747187.db2.gz QTGDFYUUHUWOQC-ROUUACIJSA-N 1 3 315.461 2.494 20 30 DEEDHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(C#N)cc1 ZINC000181467662 199301439 /nfs/dbraw/zinc/30/14/39/199301439.db2.gz YHJBMTWAYSGLMT-OAHLLOKOSA-N 1 3 300.450 2.235 20 30 DEEDHO C=CCN1CCC(NC(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237913144 539750826 /nfs/dbraw/zinc/75/08/26/539750826.db2.gz OZWSIYDYUGOLRV-QGZVFWFLSA-N 1 3 301.434 2.233 20 30 DEEDHO C[C@H](C[C@H](C)N)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593323579 358054641 /nfs/dbraw/zinc/05/46/41/358054641.db2.gz QHIUJTQYVHAEOK-LSDHHAIUSA-N 1 3 300.450 2.238 20 30 DEEDHO C[C@H]1C[C@H](CN2CCN(c3ccsc3C#N)CC2)CC[NH2+]1 ZINC000594735713 358328763 /nfs/dbraw/zinc/32/87/63/358328763.db2.gz NKNHOODBZYYPMF-UONOGXRCSA-N 1 3 304.463 2.130 20 30 DEEDHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000619423547 363789440 /nfs/dbraw/zinc/78/94/40/363789440.db2.gz INTFOTGLDDYIJB-MSOLQXFVSA-N 1 3 324.428 2.230 20 30 DEEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H](O)CN1CCCC1 ZINC000619508226 363814001 /nfs/dbraw/zinc/81/40/01/363814001.db2.gz VRTINICRXSUSDE-MJGOQNOKSA-N 1 3 313.445 2.372 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623579212 365087909 /nfs/dbraw/zinc/08/79/09/365087909.db2.gz RPJYRCCJTXZNRX-MRXNPFEDSA-N 1 3 322.497 2.058 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000623579212 365087914 /nfs/dbraw/zinc/08/79/14/365087914.db2.gz RPJYRCCJTXZNRX-MRXNPFEDSA-N 1 3 322.497 2.058 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000262436149 203293575 /nfs/dbraw/zinc/29/35/75/203293575.db2.gz SHABTJIPSAPBFI-ULQDDVLXSA-N 1 3 307.482 2.189 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC(C)(C)CCC[NH+](C)C)CC1 ZINC000458327999 248262325 /nfs/dbraw/zinc/26/23/25/248262325.db2.gz WTPOPZWHDBWNMA-UHFFFAOYSA-N 1 3 324.513 2.447 20 30 DEEDHO N#Cc1cnc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c(Cl)c1 ZINC000565650986 292175095 /nfs/dbraw/zinc/17/50/95/292175095.db2.gz XKASICNXPDIYQG-ZDUSSCGKSA-N 1 3 318.808 2.353 20 30 DEEDHO N#Cc1cnc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c(Cl)c1 ZINC000565650986 292175096 /nfs/dbraw/zinc/17/50/96/292175096.db2.gz XKASICNXPDIYQG-ZDUSSCGKSA-N 1 3 318.808 2.353 20 30 DEEDHO CN(C)C(=[NH+]CC1CCN(Cc2cccs2)CC1)N(C)C ZINC000104180825 402199642 /nfs/dbraw/zinc/19/96/42/402199642.db2.gz LYQLBCFTIOPMDD-UHFFFAOYSA-N 1 3 308.495 2.439 20 30 DEEDHO CN(C)CCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160591783 402353216 /nfs/dbraw/zinc/35/32/16/402353216.db2.gz MBGATRTZZCHILW-UHFFFAOYSA-N 1 3 304.316 2.264 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)CC1CC[NH2+]CC1)C(C)C ZINC000236679007 402373267 /nfs/dbraw/zinc/37/32/67/402373267.db2.gz NASMTGBTUKTDOF-QGZVFWFLSA-N 1 3 307.482 2.191 20 30 DEEDHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000173922697 402719616 /nfs/dbraw/zinc/71/96/16/402719616.db2.gz PLJYPSFRHACORN-INIZCTEOSA-N 1 3 314.433 2.160 20 30 DEEDHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000173922697 402719617 /nfs/dbraw/zinc/71/96/17/402719617.db2.gz PLJYPSFRHACORN-INIZCTEOSA-N 1 3 314.433 2.160 20 30 DEEDHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000269420873 403137990 /nfs/dbraw/zinc/13/79/90/403137990.db2.gz LXSWUJICYMWDLR-OAHLLOKOSA-N 1 3 318.440 2.061 20 30 DEEDHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000282421530 403152317 /nfs/dbraw/zinc/15/23/17/403152317.db2.gz SQJZPGJMAZOUEW-OAHLLOKOSA-N 1 3 300.450 2.235 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(CSC)cc1 ZINC000285171497 403278868 /nfs/dbraw/zinc/27/88/68/403278868.db2.gz TZTBJDPIADINTG-INIZCTEOSA-N 1 3 320.506 2.438 20 30 DEEDHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000348269031 404056218 /nfs/dbraw/zinc/05/62/18/404056218.db2.gz QGZHOQPMQQGYSK-FGTMMUONSA-N 1 3 324.428 2.230 20 30 DEEDHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCC(=O)N(C)CCC#N ZINC000348300745 404058448 /nfs/dbraw/zinc/05/84/48/404058448.db2.gz CKAOIURXYSTLGF-DLBZAZTESA-N 1 3 322.497 2.239 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000358794907 404775883 /nfs/dbraw/zinc/77/58/83/404775883.db2.gz IZTYEHGQGOBCMA-JKSUJKDBSA-N 1 3 322.497 2.056 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000358794907 404775886 /nfs/dbraw/zinc/77/58/86/404775886.db2.gz IZTYEHGQGOBCMA-JKSUJKDBSA-N 1 3 322.497 2.056 20 30 DEEDHO C=CCN1CCC(NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000358798293 404775942 /nfs/dbraw/zinc/77/59/42/404775942.db2.gz ZTKGTUUCCSFHFD-MRXNPFEDSA-N 1 3 322.497 2.201 20 30 DEEDHO C=CCN1CCC(NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000358798293 404775945 /nfs/dbraw/zinc/77/59/45/404775945.db2.gz ZTKGTUUCCSFHFD-MRXNPFEDSA-N 1 3 322.497 2.201 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000417059882 405023050 /nfs/dbraw/zinc/02/30/50/405023050.db2.gz IXWMQLVAMBWAQW-IXDOHACOSA-N 1 3 322.497 2.064 20 30 DEEDHO C#CCN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001328265898 1148759436 /nfs/dbraw/zinc/75/94/36/1148759436.db2.gz FGELPTQUAYEKCY-IAGOWNOFSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CC[C@@]1(C(=O)NCc2cccc(CN(C)C)c2)CCC[NH2+]1 ZINC000662674295 425709222 /nfs/dbraw/zinc/70/92/22/425709222.db2.gz ZTNMMWGHIZKNAL-SFHVURJKSA-N 1 3 301.434 2.063 20 30 DEEDHO C=C(C)CN1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001088951914 782072222 /nfs/dbraw/zinc/07/22/22/782072222.db2.gz OAVQGESKJCCXNY-WBVHZDCISA-N 1 3 307.482 2.262 20 30 DEEDHO N#C[C@@H]1CC[C@H](NCc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000583360689 332352959 /nfs/dbraw/zinc/35/29/59/332352959.db2.gz DKMMMIKSVONKTM-MNEFBYGVSA-N 1 3 313.445 2.425 20 30 DEEDHO N#C[C@@H]1CC[C@H](NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000583360689 332352961 /nfs/dbraw/zinc/35/29/61/332352961.db2.gz DKMMMIKSVONKTM-MNEFBYGVSA-N 1 3 313.445 2.425 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)CC1 ZINC000177872791 337160943 /nfs/dbraw/zinc/16/09/43/337160943.db2.gz YBMYOPIPJPBRQN-INIZCTEOSA-N 1 3 322.497 2.010 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C[N@H+](C)CC)C2)CC1 ZINC000177872791 337160944 /nfs/dbraw/zinc/16/09/44/337160944.db2.gz YBMYOPIPJPBRQN-INIZCTEOSA-N 1 3 322.497 2.010 20 30 DEEDHO C=C[C@@H]1OCC[C@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423156307 337702050 /nfs/dbraw/zinc/70/20/50/337702050.db2.gz RZQIPECNKIBPRZ-CBZIJGRNSA-N 1 3 300.402 2.175 20 30 DEEDHO C#CCCN1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001330245867 1149080100 /nfs/dbraw/zinc/08/01/00/1149080100.db2.gz YKIGQRIKKSGJCA-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO C[NH+]=C(NCCNC(C)(C)C)N1CCS[C@H](C(C)C)C1 ZINC000261703271 526360771 /nfs/dbraw/zinc/36/07/71/526360771.db2.gz GLCHWBKXJRQUHV-ZDUSSCGKSA-N 1 3 300.516 2.023 20 30 DEEDHO C[NH+]=C(NC[C@]1(N(C)C)CCC[C@H](C)C1)N1CC[C@@H](COC)C1 ZINC000262463243 526378911 /nfs/dbraw/zinc/37/89/11/526378911.db2.gz NCCVESZJFANYGO-JZXOWHBKSA-N 1 3 324.513 2.041 20 30 DEEDHO C[NH+]=C(NCc1cnc(C)s1)N1CC[C@H](N2CCCCC2)C1 ZINC000262425602 526388850 /nfs/dbraw/zinc/38/88/50/526388850.db2.gz CJMNNANLUVZERW-AWEZNQCLSA-N 1 3 321.494 2.087 20 30 DEEDHO C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC000969648415 622864152 /nfs/dbraw/zinc/86/41/52/622864152.db2.gz JNEGXPMHUMRZTF-NVXWUHKLSA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969833089 622942208 /nfs/dbraw/zinc/94/22/08/622942208.db2.gz LPNGSHFCIHHWDU-CRAIPNDOSA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969833089 622942213 /nfs/dbraw/zinc/94/22/13/622942213.db2.gz LPNGSHFCIHHWDU-CRAIPNDOSA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000970025906 623066508 /nfs/dbraw/zinc/06/65/08/623066508.db2.gz ALNHCBUOAMLDTR-WBVHZDCISA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000970025906 623066516 /nfs/dbraw/zinc/06/65/16/623066516.db2.gz ALNHCBUOAMLDTR-WBVHZDCISA-N 1 3 307.482 2.119 20 30 DEEDHO C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC000970719259 623639998 /nfs/dbraw/zinc/63/99/98/623639998.db2.gz PGTXXMUDXQKVBJ-SJLPKXTDSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970719259 623640002 /nfs/dbraw/zinc/64/00/02/623640002.db2.gz PGTXXMUDXQKVBJ-SJLPKXTDSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001024613955 625931204 /nfs/dbraw/zinc/93/12/04/625931204.db2.gz DVBXVRFCADQDSP-ZWKOTPCHSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001024613955 625931207 /nfs/dbraw/zinc/93/12/07/625931207.db2.gz DVBXVRFCADQDSP-ZWKOTPCHSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CC[NH+]1CCC(C2(NC(=O)[C@H]3CCCN3C(C)C)CC2)CC1 ZINC001000150518 634770460 /nfs/dbraw/zinc/77/04/60/634770460.db2.gz RFHVJJJKVSPSCQ-QGZVFWFLSA-N 1 3 319.493 2.406 20 30 DEEDHO C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC000997119458 633601394 /nfs/dbraw/zinc/60/13/94/633601394.db2.gz JVICNZDOFFRHHE-AEFFLSMTSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577060 634180944 /nfs/dbraw/zinc/18/09/44/634180944.db2.gz CLYHSVHPZLJNFV-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577060 634180947 /nfs/dbraw/zinc/18/09/47/634180947.db2.gz CLYHSVHPZLJNFV-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C#CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001001230698 635432590 /nfs/dbraw/zinc/43/25/90/635432590.db2.gz WGYNSAHLFSJPLY-SFHVURJKSA-N 1 3 317.477 2.021 20 30 DEEDHO C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001001230698 635432592 /nfs/dbraw/zinc/43/25/92/635432592.db2.gz WGYNSAHLFSJPLY-SFHVURJKSA-N 1 3 317.477 2.021 20 30 DEEDHO C=CC[NH+]1CCC(CNC(=O)c2ccccc2CN(C)C)CC1 ZINC001002157600 635629141 /nfs/dbraw/zinc/62/91/41/635629141.db2.gz KOVSGEYEEHCBLA-UHFFFAOYSA-N 1 3 315.461 2.376 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCN1C(C)C ZINC001028181643 635783108 /nfs/dbraw/zinc/78/31/08/635783108.db2.gz XGEXCWUPSQUHCQ-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCN1C(C)C ZINC001028181643 635783112 /nfs/dbraw/zinc/78/31/12/635783112.db2.gz XGEXCWUPSQUHCQ-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000982116068 635874934 /nfs/dbraw/zinc/87/49/34/635874934.db2.gz FHRGCOPTJDLWSJ-IAGOWNOFSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CN1CCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001028235391 635936803 /nfs/dbraw/zinc/93/68/03/635936803.db2.gz WLWMTHKJAGIUNW-KRWDZBQOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982296119 635953452 /nfs/dbraw/zinc/95/34/52/635953452.db2.gz JXSWVWFAXYFHCP-YTQUADARSA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982296119 635953454 /nfs/dbraw/zinc/95/34/54/635953454.db2.gz JXSWVWFAXYFHCP-YTQUADARSA-N 1 3 319.493 2.073 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001028845379 636784219 /nfs/dbraw/zinc/78/42/19/636784219.db2.gz JWGQBSLRBMGLID-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001028845379 636784222 /nfs/dbraw/zinc/78/42/22/636784222.db2.gz JWGQBSLRBMGLID-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001028918333 636849785 /nfs/dbraw/zinc/84/97/85/636849785.db2.gz FGITZAQVBQJNRD-ZWKOTPCHSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001028918333 636849788 /nfs/dbraw/zinc/84/97/88/636849788.db2.gz FGITZAQVBQJNRD-ZWKOTPCHSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C[C@@H]1C ZINC000947980380 637240342 /nfs/dbraw/zinc/24/03/42/637240342.db2.gz PDMGXIQPHOOYSH-DZGCQCFKSA-N 1 3 304.438 2.196 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C[C@@H]1C ZINC000947980380 637240346 /nfs/dbraw/zinc/24/03/46/637240346.db2.gz PDMGXIQPHOOYSH-DZGCQCFKSA-N 1 3 304.438 2.196 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC000941186722 649018635 /nfs/dbraw/zinc/01/86/35/649018635.db2.gz PQKPARKAGCYAPL-HNNXBMFYSA-N 1 3 304.438 2.053 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC000941186722 649018638 /nfs/dbraw/zinc/01/86/38/649018638.db2.gz PQKPARKAGCYAPL-HNNXBMFYSA-N 1 3 304.438 2.053 20 30 DEEDHO C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC000942052286 649143142 /nfs/dbraw/zinc/14/31/42/649143142.db2.gz DVUNPHUYXSRTSV-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC000942052286 649143145 /nfs/dbraw/zinc/14/31/45/649143145.db2.gz DVUNPHUYXSRTSV-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000304760523 685260157 /nfs/dbraw/zinc/26/01/57/685260157.db2.gz SNBWHXHBZCUOGM-LALPHHSUSA-N 1 3 322.403 2.209 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1cc(C)cc(C)c1 ZINC000304762958 685260853 /nfs/dbraw/zinc/26/08/53/685260853.db2.gz WGXXTPFEIHDGAZ-KRWDZBQOSA-N 1 3 302.466 2.235 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001054197907 693879570 /nfs/dbraw/zinc/87/95/70/693879570.db2.gz LNUKSHSIIQTEKC-HKUYNNGSSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001054197907 693879573 /nfs/dbraw/zinc/87/95/73/693879573.db2.gz LNUKSHSIIQTEKC-HKUYNNGSSA-N 1 3 319.493 2.361 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCc2ccccc21 ZINC000303909303 685239566 /nfs/dbraw/zinc/23/95/66/685239566.db2.gz YCBJOHZHLWKVNX-DLBZAZTESA-N 1 3 314.477 2.495 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001028845558 688545381 /nfs/dbraw/zinc/54/53/81/688545381.db2.gz MLWJBYZXWGQRSP-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001028845558 688545383 /nfs/dbraw/zinc/54/53/83/688545383.db2.gz MLWJBYZXWGQRSP-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029001201 688549307 /nfs/dbraw/zinc/54/93/07/688549307.db2.gz RIMYNCDASGDFII-MRXNPFEDSA-N 1 3 315.461 2.376 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029001201 688549309 /nfs/dbraw/zinc/54/93/09/688549309.db2.gz RIMYNCDASGDFII-MRXNPFEDSA-N 1 3 315.461 2.376 20 30 DEEDHO C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033835113 689630684 /nfs/dbraw/zinc/63/06/84/689630684.db2.gz MWMLSWYWLDJULF-YESZJQIVSA-N 1 3 307.482 2.216 20 30 DEEDHO C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033835113 689630685 /nfs/dbraw/zinc/63/06/85/689630685.db2.gz MWMLSWYWLDJULF-YESZJQIVSA-N 1 3 307.482 2.216 20 30 DEEDHO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001034204252 689761332 /nfs/dbraw/zinc/76/13/32/689761332.db2.gz LDKQVRNCSYVIHQ-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001034204252 689761334 /nfs/dbraw/zinc/76/13/34/689761334.db2.gz LDKQVRNCSYVIHQ-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000876724704 689916344 /nfs/dbraw/zinc/91/63/44/689916344.db2.gz GKGDLYFYULXAKU-KGLIPLIRSA-N 1 3 301.862 2.227 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000876724704 689916347 /nfs/dbraw/zinc/91/63/47/689916347.db2.gz GKGDLYFYULXAKU-KGLIPLIRSA-N 1 3 301.862 2.227 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000876724858 689917129 /nfs/dbraw/zinc/91/71/29/689917129.db2.gz ARBIPFFIXPZVEI-GUTXKFCHSA-N 1 3 315.889 2.331 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000876724858 689917133 /nfs/dbraw/zinc/91/71/33/689917133.db2.gz ARBIPFFIXPZVEI-GUTXKFCHSA-N 1 3 315.889 2.331 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000876736361 689921405 /nfs/dbraw/zinc/92/14/05/689921405.db2.gz KAPFDNRKGBLYPS-MBNYWOFBSA-N 1 3 315.889 2.329 20 30 DEEDHO 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C#CCCN1CC[C@H](N(CC)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001567942162 1064545284 /nfs/dbraw/zinc/54/52/84/1064545284.db2.gz LFMZYVXYXAZWGQ-IRXDYDNUSA-N 1 3 307.482 2.053 20 30 DEEDHO C=CCC[NH2+]CCC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001568094315 1064643527 /nfs/dbraw/zinc/64/35/27/1064643527.db2.gz YIJWUOOAKVPDCL-INIZCTEOSA-N 1 3 307.482 2.123 20 30 DEEDHO C=C(Cl)CNC[C@@]1(NC(=O)CC[NH+](C)C)CCCC[C@H]1C ZINC001495319560 1064828879 /nfs/dbraw/zinc/82/88/79/1064828879.db2.gz HJCYCANFALJWPQ-CJNGLKHVSA-N 1 3 315.889 2.345 20 30 DEEDHO C#CCCN(C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001568493368 1064908041 /nfs/dbraw/zinc/90/80/41/1064908041.db2.gz QYFUKKTZEDFBJP-SFHVURJKSA-N 1 3 319.493 2.197 20 30 DEEDHO C#CCCN(C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001568493368 1064908053 /nfs/dbraw/zinc/90/80/53/1064908053.db2.gz QYFUKKTZEDFBJP-SFHVURJKSA-N 1 3 319.493 2.197 20 30 DEEDHO C=CCN(C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001569135706 1065312754 /nfs/dbraw/zinc/31/27/54/1065312754.db2.gz ZUGVHNVLKUCEDJ-DOTOQJQBSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCN(C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001569135706 1065312762 /nfs/dbraw/zinc/31/27/62/1065312762.db2.gz ZUGVHNVLKUCEDJ-DOTOQJQBSA-N 1 3 307.482 2.406 20 30 DEEDHO C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001570045864 1065902102 /nfs/dbraw/zinc/90/21/02/1065902102.db2.gz UMMHMXTUEYPORB-KZNAEPCWSA-N 1 3 319.493 2.147 20 30 DEEDHO C=C(C)CCN1CC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001499120904 1067107608 /nfs/dbraw/zinc/10/76/08/1067107608.db2.gz XRTXHPBXGJVWPA-KRWDZBQOSA-N 1 3 307.482 2.409 20 30 DEEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001499835745 1067353445 /nfs/dbraw/zinc/35/34/45/1067353445.db2.gz PEFNDWCADDURPH-CVEARBPZSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[NH2+][C@H](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001267200504 1078660522 /nfs/dbraw/zinc/66/05/22/1078660522.db2.gz CSAOXTRZSYYHCD-JKSUJKDBSA-N 1 3 307.482 2.121 20 30 DEEDHO CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001267568718 1079004346 /nfs/dbraw/zinc/00/43/46/1079004346.db2.gz XDAKXXYUEONHPT-ROUUACIJSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001267568718 1079004359 /nfs/dbraw/zinc/00/43/59/1079004359.db2.gz XDAKXXYUEONHPT-ROUUACIJSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CCCC1 ZINC001484005601 1079235947 /nfs/dbraw/zinc/23/59/47/1079235947.db2.gz NXCHYSGMINHDNZ-QGZVFWFLSA-N 1 3 319.493 2.149 20 30 DEEDHO C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001484160429 1079335104 /nfs/dbraw/zinc/33/51/04/1079335104.db2.gz FXIHHYQZQFRFQA-AEFFLSMTSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001484160429 1079335110 /nfs/dbraw/zinc/33/51/10/1079335110.db2.gz FXIHHYQZQFRFQA-AEFFLSMTSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CC[N@@H+](CCCNC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001566598749 1075293402 /nfs/dbraw/zinc/29/34/02/1075293402.db2.gz ZLRWCPYKMSDGTF-QGZVFWFLSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[N@H+](CCCNC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001566598749 1075293404 /nfs/dbraw/zinc/29/34/04/1075293404.db2.gz ZLRWCPYKMSDGTF-QGZVFWFLSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001566790786 1075345286 /nfs/dbraw/zinc/34/52/86/1075345286.db2.gz YCHCOJBQUREPRH-QAETUUGQSA-N 1 3 307.482 2.451 20 30 DEEDHO CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001567116303 1075435907 /nfs/dbraw/zinc/43/59/07/1075435907.db2.gz MXXJZEKXHPQUIT-IRXDYDNUSA-N 1 3 309.498 2.489 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001567167895 1075451002 /nfs/dbraw/zinc/45/10/02/1075451002.db2.gz RIOARYLMMHBZTL-HOTGVXAUSA-N 1 3 307.482 2.454 20 30 DEEDHO C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001267939706 1079620304 /nfs/dbraw/zinc/62/03/04/1079620304.db2.gz SSVHCADLRCQVDQ-GOSISDBHSA-N 1 3 315.461 2.002 20 30 DEEDHO C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001484563222 1079662294 /nfs/dbraw/zinc/66/22/94/1079662294.db2.gz LLKWYDTXFGFSKM-MAUKXSAKSA-N 1 3 315.461 2.173 20 30 DEEDHO C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001485068663 1079945424 /nfs/dbraw/zinc/94/54/24/1079945424.db2.gz GKHPDBBASORVRJ-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001485068663 1079945431 /nfs/dbraw/zinc/94/54/31/1079945431.db2.gz GKHPDBBASORVRJ-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001268106517 1080077379 /nfs/dbraw/zinc/07/73/79/1080077379.db2.gz UTFBLYFOHFZLEF-SJORKVTESA-N 1 3 307.482 2.003 20 30 DEEDHO C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001481676977 1080287623 /nfs/dbraw/zinc/28/76/23/1080287623.db2.gz USXGRGRSEUPCIA-ROUUACIJSA-N 1 3 319.493 2.360 20 30 DEEDHO C#CCCN1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481753355 1080441051 /nfs/dbraw/zinc/44/10/51/1080441051.db2.gz SVYNURZWHOJDEC-ZWKOTPCHSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[NH+]1CCC(N(CCC)C(=O)CN(C)CCC)CC1 ZINC001661097874 1080441183 /nfs/dbraw/zinc/44/11/83/1080441183.db2.gz ZJZHUCOAGSGNHW-UHFFFAOYSA-N 1 3 307.482 2.055 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001279169803 1080551500 /nfs/dbraw/zinc/55/15/00/1080551500.db2.gz JGNBGIURDNXHKH-ROUUACIJSA-N 1 3 321.509 2.369 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001664754421 1080956033 /nfs/dbraw/zinc/95/60/33/1080956033.db2.gz CBKINIWEDLQZJE-IRXDYDNUSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001664754421 1080956038 /nfs/dbraw/zinc/95/60/38/1080956038.db2.gz CBKINIWEDLQZJE-IRXDYDNUSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCCC[NH+]1CC(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001665283915 1081009482 /nfs/dbraw/zinc/00/94/82/1081009482.db2.gz MDIIKRAOHXTBGT-UHFFFAOYSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001269838807 1081378749 /nfs/dbraw/zinc/37/87/49/1081378749.db2.gz QVHRJOVPDOLEDD-KRWDZBQOSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C(C)(C)N1CCCCC1 ZINC001482383998 1081783832 /nfs/dbraw/zinc/78/38/32/1081783832.db2.gz HJYNCIYUIFYCIZ-MRXNPFEDSA-N 1 3 307.482 2.005 20 30 DEEDHO C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001271541765 1082076911 /nfs/dbraw/zinc/07/69/11/1082076911.db2.gz YVGPXEIRWOZUBN-IRXDYDNUSA-N 1 3 307.482 2.121 20 30 DEEDHO C#CCN(C(=O)[C@H](CC)N(C)C)C1CC[NH+](CCC(C)C)CC1 ZINC001671491921 1082155288 /nfs/dbraw/zinc/15/52/88/1082155288.db2.gz KXOGSRDLUZCBGS-SFHVURJKSA-N 1 3 321.509 2.299 20 30 DEEDHO C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C1 ZINC001271891155 1082182118 /nfs/dbraw/zinc/18/21/18/1082182118.db2.gz GYYXYVFNHMOILG-FGTMMUONSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C1 ZINC001271891155 1082182121 /nfs/dbraw/zinc/18/21/21/1082182121.db2.gz GYYXYVFNHMOILG-FGTMMUONSA-N 1 3 321.509 2.463 20 30 DEEDHO C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N(C)CC)CCC[C@@H]12 ZINC001107454759 1083407213 /nfs/dbraw/zinc/40/72/13/1083407213.db2.gz LZSLSGFORMXBGC-VQIMIIECSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N(C)CC)CCC[C@@H]12 ZINC001107454759 1083407219 /nfs/dbraw/zinc/40/72/19/1083407219.db2.gz LZSLSGFORMXBGC-VQIMIIECSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2CC(C)(C)CN(C)C ZINC001272870636 1084400918 /nfs/dbraw/zinc/40/09/18/1084400918.db2.gz RRSKVIRQIBQOPM-GOSISDBHSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC(C)(C)CN(C)C ZINC001272870636 1084400924 /nfs/dbraw/zinc/40/09/24/1084400924.db2.gz RRSKVIRQIBQOPM-GOSISDBHSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001078626816 1084771116 /nfs/dbraw/zinc/77/11/16/1084771116.db2.gz UXVUXPSWGRWMRO-HZPDHXFCSA-N 1 3 319.493 2.454 20 30 DEEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961350503 1085701341 /nfs/dbraw/zinc/70/13/41/1085701341.db2.gz XJNAFPAPLVDGFV-ZWKOTPCHSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961350503 1085701351 /nfs/dbraw/zinc/70/13/51/1085701351.db2.gz XJNAFPAPLVDGFV-ZWKOTPCHSA-N 1 3 319.493 2.217 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]CC2CCCCC2)CC1 ZINC001275038546 1091526495 /nfs/dbraw/zinc/52/64/95/1091526495.db2.gz KFUCHNBLYHRNJP-MRXNPFEDSA-N 1 3 319.493 2.006 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](CC)N(C)C ZINC001275072011 1091540402 /nfs/dbraw/zinc/54/04/02/1091540402.db2.gz KZOMMZGAGJZKTH-KZNAEPCWSA-N 1 3 315.461 2.275 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001273445294 1091768695 /nfs/dbraw/zinc/76/86/95/1091768695.db2.gz LJOAXWURTIISFX-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001273445294 1091768705 /nfs/dbraw/zinc/76/87/05/1091768705.db2.gz LJOAXWURTIISFX-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C[C@](C)(O)CN1CCN(CCC[NH+](CCC)CCC)CC1 ZINC001252558386 1093577324 /nfs/dbraw/zinc/57/73/24/1093577324.db2.gz VHWDYAZZYUZFPF-SFHVURJKSA-N 1 3 311.514 2.053 20 30 DEEDHO CCCCCCCNC(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001239307334 1139017477 /nfs/dbraw/zinc/01/74/77/1139017477.db2.gz AMHPOSAFGLCEIF-INIZCTEOSA-N 1 3 312.502 2.282 20 30 DEEDHO C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001318782883 1140414644 /nfs/dbraw/zinc/41/46/44/1140414644.db2.gz ZHNXSWIJHZSIKA-HUUCEWRRSA-N 1 3 313.873 2.051 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CC(C)C)CC(C)C)CC1 ZINC001319642318 1140632461 /nfs/dbraw/zinc/63/24/61/1140632461.db2.gz HDQCGNAKJPQKOY-SFHVURJKSA-N 1 3 321.509 2.108 20 30 DEEDHO C=CCN1C(=O)CCC[C@]12CCCN([C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246709182 1141040564 /nfs/dbraw/zinc/04/05/64/1141040564.db2.gz SIQNPVWSSXOJRL-LZLYRXPVSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCN1C(=O)CCC[C@@]12CCCN([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246709185 1141040777 /nfs/dbraw/zinc/04/07/77/1141040777.db2.gz SIQNPVWSSXOJRL-RYRKJORJSA-N 1 3 305.466 2.160 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)CCC)C[C@H]21 ZINC001278495853 1141646340 /nfs/dbraw/zinc/64/63/40/1141646340.db2.gz WLOCNCWWNXEDAQ-BRWVUGGUSA-N 1 3 307.482 2.121 20 30 DEEDHO C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CCCC1 ZINC001324470897 1142084113 /nfs/dbraw/zinc/08/41/13/1142084113.db2.gz TXWAOXADEZVQBL-MSOLQXFVSA-N 1 3 319.493 2.147 20 30 DEEDHO C#CCCCCCCc1cn(CCCC[NH2+]CCCN)nn1 ZINC001254164816 1143051104 /nfs/dbraw/zinc/05/11/04/1143051104.db2.gz WUJOTLNZKZAXPB-UHFFFAOYSA-N 1 3 305.470 2.123 20 30 DEEDHO C=CCN(C)CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C(C)C ZINC001278911775 1143830427 /nfs/dbraw/zinc/83/04/27/1143830427.db2.gz DYGPGFRQQOZFJD-IAGOWNOFSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCN(C)CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C(C)C ZINC001278911775 1143830429 /nfs/dbraw/zinc/83/04/29/1143830429.db2.gz DYGPGFRQQOZFJD-IAGOWNOFSA-N 1 3 307.482 2.358 20 30 DEEDHO C#CCN1CC[NH+]([C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256556245 1143853664 /nfs/dbraw/zinc/85/36/64/1143853664.db2.gz XREDTVNVOKZOJE-QUCCMNQESA-N 1 3 311.473 2.290 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001263835141 1144406694 /nfs/dbraw/zinc/40/66/94/1144406694.db2.gz HNRJXIDYMLGOAB-IXDOHACOSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001263927628 1144425059 /nfs/dbraw/zinc/42/50/59/1144425059.db2.gz LTAYWRPGDBSGSO-LSDHHAIUSA-N 1 3 304.438 2.101 20 30 DEEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](CC)N(CC)CC)[C@H]1CC ZINC001264618926 1144579418 /nfs/dbraw/zinc/57/94/18/1144579418.db2.gz ZFTRSVLGVLUYJT-BBWFWOEESA-N 1 3 307.482 2.099 20 30 DEEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)N(CC)CC)[C@H]1CC ZINC001264618926 1144579428 /nfs/dbraw/zinc/57/94/28/1144579428.db2.gz ZFTRSVLGVLUYJT-BBWFWOEESA-N 1 3 307.482 2.099 20 30 DEEDHO C#CCCN1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1C ZINC001264709377 1144598427 /nfs/dbraw/zinc/59/84/27/1144598427.db2.gz SEAXWFGTTOBLAC-WBVHZDCISA-N 1 3 319.493 2.242 20 30 DEEDHO C#CCCN1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1C ZINC001264709377 1144598431 /nfs/dbraw/zinc/59/84/31/1144598431.db2.gz SEAXWFGTTOBLAC-WBVHZDCISA-N 1 3 319.493 2.242 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@H](C)[N@@H+](C)CC/C=C\CC)CC1 ZINC001282497414 1145079889 /nfs/dbraw/zinc/07/98/89/1145079889.db2.gz OFSORSUHFUMLFH-QWPQOLDESA-N 1 3 319.493 2.124 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@H](C)[N@H+](C)CC/C=C\CC)CC1 ZINC001282497414 1145079892 /nfs/dbraw/zinc/07/98/92/1145079892.db2.gz OFSORSUHFUMLFH-QWPQOLDESA-N 1 3 319.493 2.124 20 30 DEEDHO C=CCC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001282716230 1145142099 /nfs/dbraw/zinc/14/20/99/1145142099.db2.gz HZRGHWSYYDIYIA-CABCVRRESA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001284976998 1146000483 /nfs/dbraw/zinc/00/04/83/1146000483.db2.gz QJMHNHZFWDHZBM-WBVHZDCISA-N 1 3 307.482 2.430 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001284976998 1146000489 /nfs/dbraw/zinc/00/04/89/1146000489.db2.gz QJMHNHZFWDHZBM-WBVHZDCISA-N 1 3 307.482 2.430 20 30 DEEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001317173658 1147670742 /nfs/dbraw/zinc/67/07/42/1147670742.db2.gz PWGNMICSBSGMJY-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001317173658 1147670743 /nfs/dbraw/zinc/67/07/43/1147670743.db2.gz PWGNMICSBSGMJY-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001317226794 1147679471 /nfs/dbraw/zinc/67/94/71/1147679471.db2.gz OOIAYONSMZCOFJ-ABHNRTSZSA-N 1 3 319.493 2.290 20 30 DEEDHO C=C(C)C[NH2+][C@@H](CNC(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC001317723396 1147747397 /nfs/dbraw/zinc/74/73/97/1147747397.db2.gz GNHOHVSAXHGBFG-AEFFLSMTSA-N 1 3 315.461 2.351 20 30 DEEDHO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCC[C@H]3CN)C2)c(F)c1 ZINC000581720266 357236804 /nfs/dbraw/zinc/23/68/04/357236804.db2.gz BXYPZRAFULQTJB-ZOBUZTSGSA-N 1 3 316.424 2.383 20 30 DEEDHO N#Cc1ccc(N2CCC[C@H](N[C@H]3CCC[C@H]3C[NH3+])C2)c(F)c1 ZINC000581720266 357236805 /nfs/dbraw/zinc/23/68/05/357236805.db2.gz BXYPZRAFULQTJB-ZOBUZTSGSA-N 1 3 316.424 2.383 20 30 DEEDHO N#Cc1ccc(N2CCC([NH2+][C@H]3CCCC[C@H]3CN)CC2)nc1 ZINC000591570863 357736787 /nfs/dbraw/zinc/73/67/87/357736787.db2.gz XUMYRZSCYPLSFH-RDJZCZTQSA-N 1 3 313.449 2.029 20 30 DEEDHO COCCC[NH+]1CCC(N[C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602525572 360417476 /nfs/dbraw/zinc/41/74/76/360417476.db2.gz DCAQYQKNEVGODW-INIZCTEOSA-N 1 3 323.481 2.176 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000262436152 203294479 /nfs/dbraw/zinc/29/44/79/203294479.db2.gz SHABTJIPSAPBFI-YESZJQIVSA-N 1 3 307.482 2.189 20 30 DEEDHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(C#N)c1 ZINC000538397940 285034248 /nfs/dbraw/zinc/03/42/48/285034248.db2.gz GGAFISHNPNTZGG-MRXNPFEDSA-N 1 3 300.450 2.236 20 30 DEEDHO C=C[C@@](C)(CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000134996605 401923272 /nfs/dbraw/zinc/92/32/72/401923272.db2.gz PCYLEZTUFIHHJH-SFHVURJKSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@]1(C)CCC[NH2+]C1)C(C)C ZINC000236685964 402374670 /nfs/dbraw/zinc/37/46/70/402374670.db2.gz ZJCWNDAESHKONM-AEFFLSMTSA-N 1 3 307.482 2.191 20 30 DEEDHO C=CCN1CCC(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000247777484 402575525 /nfs/dbraw/zinc/57/55/25/402575525.db2.gz RASMFLQOEFRPFQ-HOTGVXAUSA-N 1 3 322.497 2.056 20 30 DEEDHO C=CCN1CCC(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000247777484 402575527 /nfs/dbraw/zinc/57/55/27/402575527.db2.gz RASMFLQOEFRPFQ-HOTGVXAUSA-N 1 3 322.497 2.056 20 30 DEEDHO C=CCN1CCC(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000171719976 402614218 /nfs/dbraw/zinc/61/42/18/402614218.db2.gz KSWRFDOZFISBOS-UHFFFAOYSA-N 1 3 322.497 2.199 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000171726594 402614832 /nfs/dbraw/zinc/61/48/32/402614832.db2.gz VUACJQZWZSIETE-MRXNPFEDSA-N 1 3 322.497 2.056 20 30 DEEDHO COc1ccccc1CNC(=[NH2+])NCC1(CN(C)C)CCCC1 ZINC000183833453 402800992 /nfs/dbraw/zinc/80/09/92/402800992.db2.gz FJRZTNLSVDJFQZ-UHFFFAOYSA-N 1 3 318.465 2.222 20 30 DEEDHO CCC[N@H+](CC)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279391652 402938201 /nfs/dbraw/zinc/93/82/01/402938201.db2.gz AIDWOAPSEXZPIT-KRWDZBQOSA-N 1 3 312.417 2.089 20 30 DEEDHO CCC[N@@H+](CC)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279391652 402938202 /nfs/dbraw/zinc/93/82/02/402938202.db2.gz AIDWOAPSEXZPIT-KRWDZBQOSA-N 1 3 312.417 2.089 20 30 DEEDHO [NH2+]=C(NCc1ccccc1CN1CC[C@H](O)C1)Nc1ccccc1 ZINC000272892343 402961639 /nfs/dbraw/zinc/96/16/39/402961639.db2.gz IYIAIVRQZFRUSL-SFHVURJKSA-N 1 3 324.428 2.180 20 30 DEEDHO CC[NH+](CC)CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279328611 402931382 /nfs/dbraw/zinc/93/13/82/402931382.db2.gz AODJZCDUPKNKHB-KRWDZBQOSA-N 1 3 312.417 2.089 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1c(F)cccc1SC ZINC000285161809 403278859 /nfs/dbraw/zinc/27/88/59/403278859.db2.gz SOJSLLFPXJZBEC-GFCCVEGCSA-N 1 3 324.469 2.436 20 30 DEEDHO C#CCCCN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285895358 403405256 /nfs/dbraw/zinc/40/52/56/403405256.db2.gz KCUTYNAAWWFSHA-HXUWFJFHSA-N 1 3 311.473 2.292 20 30 DEEDHO C#CCCCN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285895358 403405258 /nfs/dbraw/zinc/40/52/58/403405258.db2.gz KCUTYNAAWWFSHA-HXUWFJFHSA-N 1 3 311.473 2.292 20 30 DEEDHO CN(C)CC[N@H+](C)CCCN(C)Cc1ccc(C#N)c(F)c1 ZINC000344078867 403894020 /nfs/dbraw/zinc/89/40/20/403894020.db2.gz XRDXIYXGCMWJBZ-UHFFFAOYSA-N 1 3 306.429 2.013 20 30 DEEDHO CN(C)CC[N@@H+](C)CCCN(C)Cc1ccc(C#N)c(F)c1 ZINC000344078867 403894030 /nfs/dbraw/zinc/89/40/30/403894030.db2.gz XRDXIYXGCMWJBZ-UHFFFAOYSA-N 1 3 306.429 2.013 20 30 DEEDHO N#C[C@@H]1CC[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000414305917 404571628 /nfs/dbraw/zinc/57/16/28/404571628.db2.gz NUVCVERDCLLQBM-QZTJIDSGSA-N 1 3 313.445 2.295 20 30 DEEDHO C=CCN(CC=C)C(=O)[C@@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374172702 404700269 /nfs/dbraw/zinc/70/02/69/404700269.db2.gz GHWQJUNIRYBCPY-QGZVFWFLSA-N 1 3 319.493 2.383 20 30 DEEDHO C=CC[C@@H]1[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)CCCC1(C)C ZINC000414760258 404726702 /nfs/dbraw/zinc/72/67/02/404726702.db2.gz QDGAUTAKXWCVIY-HOTGVXAUSA-N 1 3 307.482 2.250 20 30 DEEDHO C=CC[C@@H]1[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)CCCC1(C)C ZINC000414760258 404726703 /nfs/dbraw/zinc/72/67/03/404726703.db2.gz QDGAUTAKXWCVIY-HOTGVXAUSA-N 1 3 307.482 2.250 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1CC)C(C)C ZINC000353451049 404834304 /nfs/dbraw/zinc/83/43/04/404834304.db2.gz PHJBBUCKYUYRFF-IXDOHACOSA-N 1 3 307.482 2.189 20 30 DEEDHO N#CCCC[C@H](N)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000424155232 405025275 /nfs/dbraw/zinc/02/52/75/405025275.db2.gz MOKMSWNFNFLBCL-SJORKVTESA-N 1 3 320.481 2.122 20 30 DEEDHO CCC[NH+]1CCC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000471636288 406103882 /nfs/dbraw/zinc/10/38/82/406103882.db2.gz VEINMLDHODFDKT-QGZVFWFLSA-N 1 3 324.428 2.231 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000417069958 277851806 /nfs/dbraw/zinc/85/18/06/277851806.db2.gz UXZZSKRUWMNHPA-YESZJQIVSA-N 1 3 322.497 2.125 20 30 DEEDHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(C#N)cc1 ZINC000181705053 278344708 /nfs/dbraw/zinc/34/47/08/278344708.db2.gz WWDAYUMRAJSODW-MRXNPFEDSA-N 1 3 300.450 2.236 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000267475283 529073815 /nfs/dbraw/zinc/07/38/15/529073815.db2.gz ZECDRWOPJDLHPS-BBWFWOEESA-N 1 3 300.450 2.006 20 30 DEEDHO C=C(Cl)C[NH2+]C1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001026560795 625522779 /nfs/dbraw/zinc/52/27/79/625522779.db2.gz DUJGMHUJUCCOCE-LRVUVFPRSA-N 1 3 313.873 2.098 20 30 DEEDHO C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC000970529119 623522606 /nfs/dbraw/zinc/52/26/06/623522606.db2.gz MIEPRTGFOSPDHJ-DOTOQJQBSA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCC[NH2+]C(CC)CC)CC1 ZINC000892851303 625665062 /nfs/dbraw/zinc/66/50/62/625665062.db2.gz GSQILDYALOHKIH-UHFFFAOYSA-N 1 3 310.486 2.104 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2CCC)CC1(C)C ZINC000995870572 633131884 /nfs/dbraw/zinc/13/18/84/633131884.db2.gz JCJBMSSRQJJZIG-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)CC1(C)C ZINC000996378071 633250126 /nfs/dbraw/zinc/25/01/26/633250126.db2.gz DFRKXCYJXMIYDW-HZPDHXFCSA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC000982018322 635813663 /nfs/dbraw/zinc/81/36/63/635813663.db2.gz CRBQRMYKRHSIAS-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC000982018322 635813667 /nfs/dbraw/zinc/81/36/67/635813667.db2.gz CRBQRMYKRHSIAS-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@H+]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000982084677 635856876 /nfs/dbraw/zinc/85/68/76/635856876.db2.gz XSUBTRALXWFECT-KRWDZBQOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000982084677 635856879 /nfs/dbraw/zinc/85/68/79/635856879.db2.gz XSUBTRALXWFECT-KRWDZBQOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004367431 636394616 /nfs/dbraw/zinc/39/46/16/636394616.db2.gz CMXOMSHXNSJOET-ZWKOTPCHSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004367431 636394618 /nfs/dbraw/zinc/39/46/18/636394618.db2.gz CMXOMSHXNSJOET-ZWKOTPCHSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004460047 636459653 /nfs/dbraw/zinc/45/96/53/636459653.db2.gz UHGOIEJMNSWNHM-SFHVURJKSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004460047 636459655 /nfs/dbraw/zinc/45/96/55/636459655.db2.gz UHGOIEJMNSWNHM-SFHVURJKSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001028845381 636784585 /nfs/dbraw/zinc/78/45/85/636784585.db2.gz JWGQBSLRBMGLID-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001028845381 636784589 /nfs/dbraw/zinc/78/45/89/636784589.db2.gz JWGQBSLRBMGLID-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001006275475 637314442 /nfs/dbraw/zinc/31/44/42/637314442.db2.gz RLHUVABGRGANID-UHFFFAOYSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000900159929 642276201 /nfs/dbraw/zinc/27/62/01/642276201.db2.gz SFDFGANZBQTADQ-UHFFFAOYSA-N 1 3 315.461 2.059 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000901026643 642548008 /nfs/dbraw/zinc/54/80/08/642548008.db2.gz VFFCYQYNNXIQFZ-SJLPKXTDSA-N 1 3 315.461 2.274 20 30 DEEDHO C=CCN1CCC[C@H](NC(=O)c2occc2CN(C)C)[C@H]1C ZINC000993699826 647734070 /nfs/dbraw/zinc/73/40/70/647734070.db2.gz ATBCNWSBDSPXNP-HIFRSBDPSA-N 1 3 305.422 2.110 20 30 DEEDHO C=CC[N@H+]1CCC[C@H](NC(=O)c2occc2CN(C)C)[C@H]1C ZINC000993699826 647734073 /nfs/dbraw/zinc/73/40/73/647734073.db2.gz ATBCNWSBDSPXNP-HIFRSBDPSA-N 1 3 305.422 2.110 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H](NC(=O)c2occc2CN(C)C)[C@H]1C ZINC000993699826 647734075 /nfs/dbraw/zinc/73/40/75/647734075.db2.gz ATBCNWSBDSPXNP-HIFRSBDPSA-N 1 3 305.422 2.110 20 30 DEEDHO C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)[C@@H](C)C1 ZINC000942052287 649142883 /nfs/dbraw/zinc/14/28/83/649142883.db2.gz DVUNPHUYXSRTSV-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)[C@@H](C)C1 ZINC000942052287 649142885 /nfs/dbraw/zinc/14/28/85/649142885.db2.gz DVUNPHUYXSRTSV-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(c2cccc(F)c2)CC1 ZINC000304741448 685259040 /nfs/dbraw/zinc/25/90/40/685259040.db2.gz CDNCQWQFILJVOU-INIZCTEOSA-N 1 3 318.440 2.246 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054145484 693861567 /nfs/dbraw/zinc/86/15/67/693861567.db2.gz QRLGNRWDMBLVFH-MJGOQNOKSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054145484 693861570 /nfs/dbraw/zinc/86/15/70/693861570.db2.gz QRLGNRWDMBLVFH-MJGOQNOKSA-N 1 3 319.493 2.217 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCOC1CCCCC1 ZINC000303791185 685235753 /nfs/dbraw/zinc/23/57/53/685235753.db2.gz XDFGNCLEFKXVLF-HNNXBMFYSA-N 1 3 310.486 2.114 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccc(F)cc2)CC1 ZINC000303896145 685238740 /nfs/dbraw/zinc/23/87/40/685238740.db2.gz UHKQMRFZKFYWKN-MRXNPFEDSA-N 1 3 318.440 2.246 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001015796656 687425260 /nfs/dbraw/zinc/42/52/60/687425260.db2.gz ZGCDGJGOBLLKTD-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001015796656 687425262 /nfs/dbraw/zinc/42/52/62/687425262.db2.gz ZGCDGJGOBLLKTD-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C#Cc1ccc(NC(=O)CC[N@H+](C)CCCN2CCCC2)cc1 ZINC000930310920 694133738 /nfs/dbraw/zinc/13/37/38/694133738.db2.gz UBPCEDHWSUNXQB-UHFFFAOYSA-N 1 3 313.445 2.414 20 30 DEEDHO C#Cc1ccc(NC(=O)CC[N@@H+](C)CCCN2CCCC2)cc1 ZINC000930310920 694133741 /nfs/dbraw/zinc/13/37/41/694133741.db2.gz UBPCEDHWSUNXQB-UHFFFAOYSA-N 1 3 313.445 2.414 20 30 DEEDHO CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)[C@H](N)CCCCC#N ZINC000867988193 687862641 /nfs/dbraw/zinc/86/26/41/687862641.db2.gz WIUMIUGLWPYDGN-UKRRQHHQSA-N 1 3 300.406 2.223 20 30 DEEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001032710541 689232747 /nfs/dbraw/zinc/23/27/47/689232747.db2.gz GBBWNIKTPXWOFW-ROUUACIJSA-N 1 3 319.493 2.358 20 30 DEEDHO C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001033577082 689549259 /nfs/dbraw/zinc/54/92/59/689549259.db2.gz ZEAMEPOLQBINOA-MSOLQXFVSA-N 1 3 319.493 2.197 20 30 DEEDHO C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033577082 689549261 /nfs/dbraw/zinc/54/92/61/689549261.db2.gz ZEAMEPOLQBINOA-MSOLQXFVSA-N 1 3 319.493 2.197 20 30 DEEDHO C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001034241468 689777912 /nfs/dbraw/zinc/77/79/12/689777912.db2.gz XVZGZXVPZINEHI-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001034241468 689777916 /nfs/dbraw/zinc/77/79/16/689777916.db2.gz XVZGZXVPZINEHI-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000876717498 689914074 /nfs/dbraw/zinc/91/40/74/689914074.db2.gz GPIIUOQZYAQHGT-KGLIPLIRSA-N 1 3 303.878 2.329 20 30 DEEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000876709261 689911797 /nfs/dbraw/zinc/91/17/97/689911797.db2.gz NHGIACFLTFNXJQ-HZPDHXFCSA-N 1 3 323.868 2.438 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000876723542 689916376 /nfs/dbraw/zinc/91/63/76/689916376.db2.gz DPRRECGCRQVRFN-CVEARBPZSA-N 1 3 321.852 2.410 20 30 DEEDHO C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2 ZINC001035226933 690066080 /nfs/dbraw/zinc/06/60/80/690066080.db2.gz PATZGZWRYJYZGZ-QGZVFWFLSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2 ZINC001035226933 690066084 /nfs/dbraw/zinc/06/60/84/690066084.db2.gz PATZGZWRYJYZGZ-QGZVFWFLSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@H]21 ZINC001036820900 690486809 /nfs/dbraw/zinc/48/68/09/690486809.db2.gz QLNAPZIDMKSXMQ-IAGOWNOFSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@H]21 ZINC001036820900 690486811 /nfs/dbraw/zinc/48/68/11/690486811.db2.gz QLNAPZIDMKSXMQ-IAGOWNOFSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@H+]1CC[C@H]1CNC(=O)c1sccc1CN(C)C ZINC001038313470 690778192 /nfs/dbraw/zinc/77/81/92/690778192.db2.gz DKCFEDRVVZVXSX-AWEZNQCLSA-N 1 3 307.463 2.190 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1sccc1CN(C)C ZINC001038313470 690778196 /nfs/dbraw/zinc/77/81/96/690778196.db2.gz DKCFEDRVVZVXSX-AWEZNQCLSA-N 1 3 307.463 2.190 20 30 DEEDHO C=CCCN1CC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038554552 690855732 /nfs/dbraw/zinc/85/57/32/690855732.db2.gz GOUCUBSBNDEESM-QGZVFWFLSA-N 1 3 315.461 2.171 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039116099 691023845 /nfs/dbraw/zinc/02/38/45/691023845.db2.gz QLYFZTQBXNSLQD-ZWKOTPCHSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039116099 691023848 /nfs/dbraw/zinc/02/38/48/691023848.db2.gz QLYFZTQBXNSLQD-ZWKOTPCHSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039173039 691039174 /nfs/dbraw/zinc/03/91/74/691039174.db2.gz LOPGHZVZDMIQJP-SFHVURJKSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039173039 691039176 /nfs/dbraw/zinc/03/91/76/691039176.db2.gz LOPGHZVZDMIQJP-SFHVURJKSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCC[C@@H]1C ZINC001039437573 691105620 /nfs/dbraw/zinc/10/56/20/691105620.db2.gz OTDHBDJIRABHFL-BBWFWOEESA-N 1 3 305.466 2.112 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCC[C@@H]1C ZINC001039437573 691105622 /nfs/dbraw/zinc/10/56/22/691105622.db2.gz OTDHBDJIRABHFL-BBWFWOEESA-N 1 3 305.466 2.112 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040236203 691217332 /nfs/dbraw/zinc/21/73/32/691217332.db2.gz JUFXROZJWAHPSD-GOSISDBHSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040236203 691217334 /nfs/dbraw/zinc/21/73/34/691217334.db2.gz JUFXROZJWAHPSD-GOSISDBHSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001040836563 691291656 /nfs/dbraw/zinc/29/16/56/691291656.db2.gz SLBHPMQDINLRHJ-QGZVFWFLSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001041844630 691444144 /nfs/dbraw/zinc/44/41/44/691444144.db2.gz BIQHNEFQGFVNGE-PKOBYXMFSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001041844630 691444146 /nfs/dbraw/zinc/44/41/46/691444146.db2.gz BIQHNEFQGFVNGE-PKOBYXMFSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[C@H](COc1ccccc1)[NH2+]CC1(O)CCN(C)CC1 ZINC000883191447 691453538 /nfs/dbraw/zinc/45/35/38/691453538.db2.gz BFTWGGFGLJLSSV-QGZVFWFLSA-N 1 3 318.461 2.447 20 30 DEEDHO C#CCN(C(=O)C1(C[NH+](C)C)CCCCC1)C1CCN(C)CC1 ZINC000886578963 692116230 /nfs/dbraw/zinc/11/62/30/692116230.db2.gz SEUXCZAJYAKFHW-UHFFFAOYSA-N 1 3 319.493 2.055 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001382359027 1153434871 /nfs/dbraw/zinc/43/48/71/1153434871.db2.gz VQOJHAQHORAALM-ZIAGYGMSSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001382359017 1153434904 /nfs/dbraw/zinc/43/49/04/1153434904.db2.gz VQOJHAQHORAALM-KGLIPLIRSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001390608003 1155813166 /nfs/dbraw/zinc/81/31/66/1155813166.db2.gz HNMBJEHLJZNVGE-ZIAGYGMSSA-N 1 3 313.873 2.240 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001420129177 1169182394 /nfs/dbraw/zinc/18/23/94/1169182394.db2.gz FORHWARMBKRWTN-ZDUSSCGKSA-N 1 3 303.878 2.201 20 30 DEEDHO N#Cc1cccc([C@H](O)CN2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC001434477517 1178631669 /nfs/dbraw/zinc/63/16/69/1178631669.db2.gz CIXFMZOZFXIMGC-LJQANCHMSA-N 1 3 322.412 2.199 20 30 DEEDHO C[NH+]=C(NCC1CCOCC1)NC[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000176351454 782353585 /nfs/dbraw/zinc/35/35/85/782353585.db2.gz ULFSOACZNUTSCS-QAPCUYQASA-N 1 3 324.513 2.089 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106633219 782820499 /nfs/dbraw/zinc/82/04/99/782820499.db2.gz DQZRXMYWVZKSSQ-BRWVUGGUSA-N 1 3 309.498 2.223 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[C@@H]1C ZINC000947617378 783190834 /nfs/dbraw/zinc/19/08/34/783190834.db2.gz XXMFUGICZJWSHM-JKSUJKDBSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[C@@H]1C ZINC000947617378 783190840 /nfs/dbraw/zinc/19/08/40/783190840.db2.gz XXMFUGICZJWSHM-JKSUJKDBSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001089548618 783198083 /nfs/dbraw/zinc/19/80/83/783198083.db2.gz NBYMBMHBXJCAEN-HNNXBMFYSA-N 1 3 318.465 2.444 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001089548618 783198091 /nfs/dbraw/zinc/19/80/91/783198091.db2.gz NBYMBMHBXJCAEN-HNNXBMFYSA-N 1 3 318.465 2.444 20 30 DEEDHO C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001104939337 778266559 /nfs/dbraw/zinc/26/65/59/778266559.db2.gz LZOYTYIVKHUOSV-IAGOWNOFSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001167900840 778763602 /nfs/dbraw/zinc/76/36/02/778763602.db2.gz MZDCVWYDKTWBOD-CQSZACIVSA-N 1 3 318.465 2.491 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)[C@H]1CC ZINC001087593318 779367762 /nfs/dbraw/zinc/36/77/62/779367762.db2.gz BCQNYUDCIHWZSF-BBWFWOEESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)[C@H]1CC ZINC001087593318 779367770 /nfs/dbraw/zinc/36/77/70/779367770.db2.gz BCQNYUDCIHWZSF-BBWFWOEESA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1CC ZINC001087619848 779380976 /nfs/dbraw/zinc/38/09/76/779380976.db2.gz HMAZNDVNUKDWQC-JKSUJKDBSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600767 781215171 /nfs/dbraw/zinc/21/51/71/781215171.db2.gz UMXNAWSQHJZRPI-IXDOHACOSA-N 1 3 309.498 2.365 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600767 781215177 /nfs/dbraw/zinc/21/51/77/781215177.db2.gz UMXNAWSQHJZRPI-IXDOHACOSA-N 1 3 309.498 2.365 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967205551 783905356 /nfs/dbraw/zinc/90/53/56/783905356.db2.gz LFRSVFKDCAHSSE-DLBZAZTESA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967205551 783905359 /nfs/dbraw/zinc/90/53/59/783905359.db2.gz LFRSVFKDCAHSSE-DLBZAZTESA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)N(C)C ZINC001171247583 791123041 /nfs/dbraw/zinc/12/30/41/791123041.db2.gz MKYSYJCVSCUEQI-ZFWWWQNUSA-N 1 3 315.889 2.344 20 30 DEEDHO C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014430818 786584310 /nfs/dbraw/zinc/58/43/10/786584310.db2.gz HHTJCLNQHXQKMR-IAGOWNOFSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014430818 786584313 /nfs/dbraw/zinc/58/43/13/786584313.db2.gz HHTJCLNQHXQKMR-IAGOWNOFSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCC[C@@H](C)N1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001113677843 786755333 /nfs/dbraw/zinc/75/53/33/786755333.db2.gz SMPBROTXLRDYCS-QGZVFWFLSA-N 1 3 307.482 2.361 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C ZINC001133121761 788287446 /nfs/dbraw/zinc/28/74/46/788287446.db2.gz KZCCXBPCCGAPPL-IAGOWNOFSA-N 1 3 321.509 2.369 20 30 DEEDHO C=CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[C@H]1C ZINC001071735991 789897310 /nfs/dbraw/zinc/89/73/10/789897310.db2.gz WAVMXOAWYDJHHH-CVEARBPZSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[C@H]1C ZINC001071735991 789897316 /nfs/dbraw/zinc/89/73/16/789897316.db2.gz WAVMXOAWYDJHHH-CVEARBPZSA-N 1 3 307.482 2.406 20 30 DEEDHO C#CCCN1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001071957592 789987759 /nfs/dbraw/zinc/98/77/59/789987759.db2.gz KVFUHWHPLNNBJO-FUHWJXTLSA-N 1 3 319.493 2.099 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC(C)C)CC1 ZINC001146610400 791323267 /nfs/dbraw/zinc/32/32/67/791323267.db2.gz JAJUMIWEHRMCJR-SJORKVTESA-N 1 3 321.509 2.251 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCC)CC1 ZINC001146614610 791324245 /nfs/dbraw/zinc/32/42/45/791324245.db2.gz ZATWKJJADDXXMT-DLBZAZTESA-N 1 3 321.509 2.395 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001148277658 791728265 /nfs/dbraw/zinc/72/82/65/791728265.db2.gz JZNINVPRXFCDBH-IAGOWNOFSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001148277658 791728267 /nfs/dbraw/zinc/72/82/67/791728267.db2.gz JZNINVPRXFCDBH-IAGOWNOFSA-N 1 3 319.493 2.360 20 30 DEEDHO C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001086929051 791859413 /nfs/dbraw/zinc/85/94/13/791859413.db2.gz VMPAUVBJRWONIO-DLBZAZTESA-N 1 3 319.493 2.053 20 30 DEEDHO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)N(C)CC)C1 ZINC001099496807 792223310 /nfs/dbraw/zinc/22/33/10/792223310.db2.gz LSQFXHIRZBYPPA-QAETUUGQSA-N 1 3 319.493 2.072 20 30 DEEDHO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)N(C)CC)C1 ZINC001099496807 792223316 /nfs/dbraw/zinc/22/33/16/792223316.db2.gz LSQFXHIRZBYPPA-QAETUUGQSA-N 1 3 319.493 2.072 20 30 DEEDHO C=CCCC[NH2+]C1CC(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001100563651 792721968 /nfs/dbraw/zinc/72/19/68/792721968.db2.gz QKDHTGQBHCAITH-UHFFFAOYSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438592 794091684 /nfs/dbraw/zinc/09/16/84/794091684.db2.gz RRDHDIIHVVLLRS-IAGOWNOFSA-N 1 3 321.509 2.369 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438592 794091690 /nfs/dbraw/zinc/09/16/90/794091690.db2.gz RRDHDIIHVVLLRS-IAGOWNOFSA-N 1 3 321.509 2.369 20 30 DEEDHO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001175273781 794165759 /nfs/dbraw/zinc/16/57/59/794165759.db2.gz WCACFFNHGBVIAA-MRXNPFEDSA-N 1 3 307.482 2.006 20 30 DEEDHO C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H](CC)N(C)C)CCCCC1 ZINC001115591860 794831714 /nfs/dbraw/zinc/83/17/14/794831714.db2.gz IOTAJQQLUXKAQF-CQSZACIVSA-N 1 3 315.889 2.488 20 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C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CC=C(C)C)CC1 ZINC001157092404 798142481 /nfs/dbraw/zinc/14/24/81/798142481.db2.gz WSNCXWGEFBINQM-QGZVFWFLSA-N 1 3 319.493 2.124 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CC=C(C)C)CC1 ZINC001157092404 798142484 /nfs/dbraw/zinc/14/24/84/798142484.db2.gz WSNCXWGEFBINQM-QGZVFWFLSA-N 1 3 319.493 2.124 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1C ZINC001158473383 798412891 /nfs/dbraw/zinc/41/28/91/798412891.db2.gz KRLLUPHDTPUIMB-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1C ZINC001158473383 798412892 /nfs/dbraw/zinc/41/28/92/798412892.db2.gz KRLLUPHDTPUIMB-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(Cl)CNCCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001159907926 798624038 /nfs/dbraw/zinc/62/40/38/798624038.db2.gz FNSJHCUJJFXDEB-OAHLLOKOSA-N 1 3 313.873 2.242 20 30 DEEDHO C=C(Cl)CNCCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001159907926 798624042 /nfs/dbraw/zinc/62/40/42/798624042.db2.gz 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319.493 2.101 20 30 DEEDHO C=CC[NH2+]CCC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001330915977 1149332649 /nfs/dbraw/zinc/33/26/49/1149332649.db2.gz LTCANWVPTQENTM-WMLDXEAASA-N 1 3 313.461 2.259 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001499936462 1058389420 /nfs/dbraw/zinc/38/94/20/1058389420.db2.gz ZZKNIEWEBOTGBZ-KRWDZBQOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCN1C(C)C)C1CCCC1 ZINC001500088058 1058483903 /nfs/dbraw/zinc/48/39/03/1058483903.db2.gz IPLQPURUOKYUDC-IAGOWNOFSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1nc[nH]c1C)C2 ZINC001501172458 1059347087 /nfs/dbraw/zinc/34/70/87/1059347087.db2.gz XEKABNCHOLYQHM-MUJYYYPQSA-N 1 3 316.449 2.196 20 30 DEEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1nc[nH]c1C)C2 ZINC001501172458 1059347109 /nfs/dbraw/zinc/34/71/09/1059347109.db2.gz XEKABNCHOLYQHM-MUJYYYPQSA-N 1 3 316.449 2.196 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001501189940 1059363701 /nfs/dbraw/zinc/36/37/01/1059363701.db2.gz IUQVCXSMVALCRT-WKILWMFISA-N 1 3 318.465 2.349 20 30 DEEDHO C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001505473812 1060643494 /nfs/dbraw/zinc/64/34/94/1060643494.db2.gz YQRZAKBHKFYSPV-IAGOWNOFSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001505473812 1060643497 /nfs/dbraw/zinc/64/34/97/1060643497.db2.gz YQRZAKBHKFYSPV-IAGOWNOFSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)CCC)C(C)(C)[C@@H]21 ZINC001479613551 1061519524 /nfs/dbraw/zinc/51/95/24/1061519524.db2.gz NEZDYSPEIZNUAH-DJIMGWMZSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)CCC)C(C)(C)[C@@H]21 ZINC001479613551 1061519539 /nfs/dbraw/zinc/51/95/39/1061519539.db2.gz NEZDYSPEIZNUAH-DJIMGWMZSA-N 1 3 307.482 2.119 20 30 DEEDHO C#CCC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCCCN1CC)C(C)C ZINC001506489101 1062036392 /nfs/dbraw/zinc/03/63/92/1062036392.db2.gz OHYQXZFXOCNCAQ-QZTJIDSGSA-N 1 3 321.509 2.347 20 30 DEEDHO C=C(Cl)CNCC1(NC(=O)CC[NH+](C)C)CCCCC1 ZINC001506517217 1062069679 /nfs/dbraw/zinc/06/96/79/1062069679.db2.gz MSSLYOAQUZGMPF-UHFFFAOYSA-N 1 3 301.862 2.099 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001494165236 1064152633 /nfs/dbraw/zinc/15/26/33/1064152633.db2.gz CQHIXRKSOMJEPT-QGZVFWFLSA-N 1 3 307.482 2.075 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001494165236 1064152640 /nfs/dbraw/zinc/15/26/40/1064152640.db2.gz CQHIXRKSOMJEPT-QGZVFWFLSA-N 1 3 307.482 2.075 20 30 DEEDHO CC#CC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001567699521 1064357071 /nfs/dbraw/zinc/35/70/71/1064357071.db2.gz MMKXQCXMMWSNDF-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CC[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001567699521 1064357085 /nfs/dbraw/zinc/35/70/85/1064357085.db2.gz MMKXQCXMMWSNDF-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001568393093 1064833550 /nfs/dbraw/zinc/83/35/50/1064833550.db2.gz CWSBHAJJQGEYHW-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001568412280 1064849596 /nfs/dbraw/zinc/84/95/96/1064849596.db2.gz QFKXBEPGMVCPCZ-SJORKVTESA-N 1 3 321.509 2.204 20 30 DEEDHO CC#CC[NH2+]C[C@H](NC(=O)CN(C)CCC)C1CCCCC1 ZINC001496327522 1065409793 /nfs/dbraw/zinc/40/97/93/1065409793.db2.gz UQPRXFQWCSQZJC-KRWDZBQOSA-N 1 3 307.482 2.006 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001569437037 1065506479 /nfs/dbraw/zinc/50/64/79/1065506479.db2.gz OUOJPGIEQJCARB-SFHVURJKSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001569437037 1065506490 /nfs/dbraw/zinc/50/64/90/1065506490.db2.gz OUOJPGIEQJCARB-SFHVURJKSA-N 1 3 321.509 2.463 20 30 DEEDHO C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001569436385 1065507669 /nfs/dbraw/zinc/50/76/69/1065507669.db2.gz HPXHBNAZPWQMGU-MSOLQXFVSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001569436385 1065507683 /nfs/dbraw/zinc/50/76/83/1065507683.db2.gz HPXHBNAZPWQMGU-MSOLQXFVSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CCN(C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001570198595 1065970268 /nfs/dbraw/zinc/97/02/68/1065970268.db2.gz DUVCMLGONUOVAN-SFHVURJKSA-N 1 3 319.493 2.197 20 30 DEEDHO CC#CCN(C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001570198595 1065970276 /nfs/dbraw/zinc/97/02/76/1065970276.db2.gz DUVCMLGONUOVAN-SFHVURJKSA-N 1 3 319.493 2.197 20 30 DEEDHO C#CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CC(C)(C)C ZINC001498487421 1066739492 /nfs/dbraw/zinc/73/94/92/1066739492.db2.gz GHZLBVZGOYYHDQ-IRXDYDNUSA-N 1 3 321.509 2.252 20 30 DEEDHO N#CCCC[C@H](N)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001580049459 1067481844 /nfs/dbraw/zinc/48/18/44/1067481844.db2.gz RQUBIYJXOVLVSC-INIZCTEOSA-N 1 3 320.481 2.170 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CN(C)CC(C)(C)C ZINC001267175330 1078639115 /nfs/dbraw/zinc/63/91/15/1078639115.db2.gz SNEDWDUXAFWVDZ-KRWDZBQOSA-N 1 3 321.509 2.348 20 30 DEEDHO CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)CN(C)CC(C)(C)C ZINC001267175330 1078639119 /nfs/dbraw/zinc/63/91/19/1078639119.db2.gz SNEDWDUXAFWVDZ-KRWDZBQOSA-N 1 3 321.509 2.348 20 30 DEEDHO C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001570682805 1068066271 /nfs/dbraw/zinc/06/62/71/1068066271.db2.gz DRLXPIUTRHIWRI-INIZCTEOSA-N 1 3 309.498 2.369 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001267293329 1078739199 /nfs/dbraw/zinc/73/91/99/1078739199.db2.gz QKIMOHASDFMUPK-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001267293329 1078739205 /nfs/dbraw/zinc/73/92/05/1078739205.db2.gz QKIMOHASDFMUPK-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CN(CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC1 ZINC001267334012 1078772632 /nfs/dbraw/zinc/77/26/32/1078772632.db2.gz UVRGZZQPUDNJJC-SJORKVTESA-N 1 3 305.466 2.160 20 30 DEEDHO C=C(C)CN(CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1CC1 ZINC001267334012 1078772634 /nfs/dbraw/zinc/77/26/34/1078772634.db2.gz UVRGZZQPUDNJJC-SJORKVTESA-N 1 3 305.466 2.160 20 30 DEEDHO CC#CC[NH2+][C@H](C)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001267492398 1078916999 /nfs/dbraw/zinc/91/69/99/1078916999.db2.gz UVXOJKZBTSOLBR-MRXNPFEDSA-N 1 3 321.509 2.204 20 30 DEEDHO CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001483800906 1079129248 /nfs/dbraw/zinc/12/92/48/1079129248.db2.gz FDXRHJNKDABBBF-MSOLQXFVSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001483800906 1079129254 /nfs/dbraw/zinc/12/92/54/1079129254.db2.gz FDXRHJNKDABBBF-MSOLQXFVSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CCCC1 ZINC001484002318 1079237707 /nfs/dbraw/zinc/23/77/07/1079237707.db2.gz URYGMZLCOHXIPN-ROUUACIJSA-N 1 3 319.493 2.147 20 30 DEEDHO CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCN1C(C)C)C1CCCC1 ZINC001484002317 1079238094 /nfs/dbraw/zinc/23/80/94/1079238094.db2.gz URYGMZLCOHXIPN-QZTJIDSGSA-N 1 3 319.493 2.147 20 30 DEEDHO CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CCCC1 ZINC001484002315 1079238301 /nfs/dbraw/zinc/23/83/01/1079238301.db2.gz URYGMZLCOHXIPN-MSOLQXFVSA-N 1 3 319.493 2.147 20 30 DEEDHO C=CCN1CC[C@](C)(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001484055970 1079275810 /nfs/dbraw/zinc/27/58/10/1079275810.db2.gz YHBKIJQWUZWPSD-SFHVURJKSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN1CC[C@](C)(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001484055970 1079275815 /nfs/dbraw/zinc/27/58/15/1079275815.db2.gz YHBKIJQWUZWPSD-SFHVURJKSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001565864304 1075200441 /nfs/dbraw/zinc/20/04/41/1075200441.db2.gz OGGSMCQLEWDPEX-BRWVUGGUSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001267683641 1079371832 /nfs/dbraw/zinc/37/18/32/1079371832.db2.gz SHCZTCSTLRLCOX-DOTOQJQBSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001566955384 1075398648 /nfs/dbraw/zinc/39/86/48/1075398648.db2.gz LTVMFILLBCJNTL-ZWKOTPCHSA-N 1 3 319.493 2.197 20 30 DEEDHO C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001485080171 1079970237 /nfs/dbraw/zinc/97/02/37/1079970237.db2.gz RRPLGUWAMUYAGD-GOSISDBHSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001485080171 1079970246 /nfs/dbraw/zinc/97/02/46/1079970246.db2.gz RRPLGUWAMUYAGD-GOSISDBHSA-N 1 3 315.461 2.471 20 30 DEEDHO C#CCCN1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H]1C ZINC001657044113 1080149452 /nfs/dbraw/zinc/14/94/52/1080149452.db2.gz OKUFANYOOZZPIE-SQNIBIBYSA-N 1 3 319.493 2.099 20 30 DEEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)[C@H]1C ZINC001657044113 1080149456 /nfs/dbraw/zinc/14/94/56/1080149456.db2.gz OKUFANYOOZZPIE-SQNIBIBYSA-N 1 3 319.493 2.099 20 30 DEEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)[C@H]1C ZINC001657044113 1080149459 /nfs/dbraw/zinc/14/94/59/1080149459.db2.gz OKUFANYOOZZPIE-SQNIBIBYSA-N 1 3 319.493 2.099 20 30 DEEDHO C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001661977885 1080554132 /nfs/dbraw/zinc/55/41/32/1080554132.db2.gz PUKGSHGSCZKSEE-ZWKOTPCHSA-N 1 3 319.493 2.197 20 30 DEEDHO C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001661977885 1080554139 /nfs/dbraw/zinc/55/41/39/1080554139.db2.gz PUKGSHGSCZKSEE-ZWKOTPCHSA-N 1 3 319.493 2.197 20 30 DEEDHO C=CCC[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001662863787 1080668909 /nfs/dbraw/zinc/66/89/09/1080668909.db2.gz YYHQMRNJXOHTBM-HOCLYGCPSA-N 1 3 304.438 2.230 20 30 DEEDHO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001662863787 1080668912 /nfs/dbraw/zinc/66/89/12/1080668912.db2.gz YYHQMRNJXOHTBM-HOCLYGCPSA-N 1 3 304.438 2.230 20 30 DEEDHO C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001664467190 1080913748 /nfs/dbraw/zinc/91/37/48/1080913748.db2.gz GPCAOFBIQICRHB-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CN[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001664599519 1080931632 /nfs/dbraw/zinc/93/16/32/1080931632.db2.gz SHEMCDWOYPDXOW-FUHWJXTLSA-N 1 3 315.461 2.351 20 30 DEEDHO C=C(C)CN[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001664599519 1080931638 /nfs/dbraw/zinc/93/16/38/1080931638.db2.gz SHEMCDWOYPDXOW-FUHWJXTLSA-N 1 3 315.461 2.351 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001268771066 1080980134 /nfs/dbraw/zinc/98/01/34/1080980134.db2.gz QCZXUVNSNWLNBE-JKSUJKDBSA-N 1 3 318.465 2.491 20 30 DEEDHO C=CCC[NH+]1CCC(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001666379682 1081149019 /nfs/dbraw/zinc/14/90/19/1081149019.db2.gz USTOGWORUTXTCR-INIZCTEOSA-N 1 3 307.482 2.123 20 30 DEEDHO C=CC[NH2+]C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1CCCC1 ZINC001671555391 1081523309 /nfs/dbraw/zinc/52/33/09/1081523309.db2.gz ZCIULVRCIXFSIG-MRXNPFEDSA-N 1 3 309.498 2.415 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001266513974 1082094935 /nfs/dbraw/zinc/09/49/35/1082094935.db2.gz JTJRODFFMVJMTI-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001266513974 1082094944 /nfs/dbraw/zinc/09/49/44/1082094944.db2.gz JTJRODFFMVJMTI-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@@H+](C)CCC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001482506594 1082128625 /nfs/dbraw/zinc/12/86/25/1082128625.db2.gz DYHXNSQLCYSKMS-KRWDZBQOSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCC[N@H+](C)CCC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001482506594 1082128627 /nfs/dbraw/zinc/12/86/27/1082128627.db2.gz DYHXNSQLCYSKMS-KRWDZBQOSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCN(C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001272092762 1082464964 /nfs/dbraw/zinc/46/49/64/1082464964.db2.gz INUKJVWLTKOTFJ-KRWDZBQOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCN(C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001272092762 1082464965 /nfs/dbraw/zinc/46/49/65/1082464965.db2.gz INUKJVWLTKOTFJ-KRWDZBQOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001283297353 1082470229 /nfs/dbraw/zinc/47/02/29/1082470229.db2.gz XZTLMYSIBMIIOA-WBVHZDCISA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001283297353 1082470234 /nfs/dbraw/zinc/47/02/34/1082470234.db2.gz XZTLMYSIBMIIOA-WBVHZDCISA-N 1 3 307.482 2.358 20 30 DEEDHO CC#CCNC/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001483051706 1082663791 /nfs/dbraw/zinc/66/37/91/1082663791.db2.gz XCLUFWLZGALBLQ-DVBCCOPCSA-N 1 3 317.477 2.069 20 30 DEEDHO CC#CCNC/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001483051706 1082663792 /nfs/dbraw/zinc/66/37/92/1082663792.db2.gz XCLUFWLZGALBLQ-DVBCCOPCSA-N 1 3 317.477 2.069 20 30 DEEDHO C=C(C)C[NH2+]C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC001276672480 1083543421 /nfs/dbraw/zinc/54/34/21/1083543421.db2.gz IQRSQZDQSOLJIJ-RDJZCZTQSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001281557293 1084086718 /nfs/dbraw/zinc/08/67/18/1084086718.db2.gz OKNFZJMSVOMYBB-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001281557293 1084086726 /nfs/dbraw/zinc/08/67/26/1084086726.db2.gz OKNFZJMSVOMYBB-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001235340325 1084398614 /nfs/dbraw/zinc/39/86/14/1084398614.db2.gz ZKMVBFSBRXERRW-DLBZAZTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001235340325 1084398622 /nfs/dbraw/zinc/39/86/22/1084398622.db2.gz ZKMVBFSBRXERRW-DLBZAZTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001494159714 1085369767 /nfs/dbraw/zinc/36/97/67/1085369767.db2.gz MICQMKMZLHJHHX-SJORKVTESA-N 1 3 307.482 2.075 20 30 DEEDHO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001494159714 1085369776 /nfs/dbraw/zinc/36/97/76/1085369776.db2.gz MICQMKMZLHJHHX-SJORKVTESA-N 1 3 307.482 2.075 20 30 DEEDHO C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2CC1(C[NH+](C)C)CCCC1 ZINC001273128106 1086289825 /nfs/dbraw/zinc/28/98/25/1086289825.db2.gz NLJNXFQNTSEBCX-IAGOWNOFSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[NH+]1CCC2(CCN(C(=O)CN3CCC[C@H]3C)CC2)CC1 ZINC000957602596 1088450878 /nfs/dbraw/zinc/45/08/78/1088450878.db2.gz ASJTUQGTIMBXEY-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001084701374 1090403055 /nfs/dbraw/zinc/40/30/55/1090403055.db2.gz ASJMSOSWMONJIV-FGTMMUONSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001084701374 1090403059 /nfs/dbraw/zinc/40/30/59/1090403059.db2.gz ASJMSOSWMONJIV-FGTMMUONSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001274919763 1091478322 /nfs/dbraw/zinc/47/83/22/1091478322.db2.gz QTWMZAKPHXCZAV-RHSMWYFYSA-N 1 3 313.461 2.259 20 30 DEEDHO Cn1cc(CN2CC[C@H]3C[N@@H+](CC4CC4)C[C@H]3CC2)cc1C#N ZINC001275137158 1091579762 /nfs/dbraw/zinc/57/97/62/1091579762.db2.gz QHCNZYYPMYFPRD-HDICACEKSA-N 1 3 312.461 2.451 20 30 DEEDHO Cn1cc(CN2CC[C@H]3C[N@H+](CC4CC4)C[C@H]3CC2)cc1C#N ZINC001275137158 1091579772 /nfs/dbraw/zinc/57/97/72/1091579772.db2.gz QHCNZYYPMYFPRD-HDICACEKSA-N 1 3 312.461 2.451 20 30 DEEDHO C#CCCC[N@@H+]1C[C@@H]2CCN(Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001275975990 1092420438 /nfs/dbraw/zinc/42/04/38/1092420438.db2.gz VCHMABHWXSKDHA-CALCHBBNSA-N 1 3 313.445 2.344 20 30 DEEDHO C#CCCC[N@H+]1C[C@@H]2CCN(Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001275975990 1092420441 /nfs/dbraw/zinc/42/04/41/1092420441.db2.gz VCHMABHWXSKDHA-CALCHBBNSA-N 1 3 313.445 2.344 20 30 DEEDHO C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001488771979 1092743210 /nfs/dbraw/zinc/74/32/10/1092743210.db2.gz JNLSEEUTQJXTER-TWMKSMIVSA-N 1 3 307.482 2.167 20 30 DEEDHO C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001316666123 1140160451 /nfs/dbraw/zinc/16/04/51/1140160451.db2.gz JPRZRSSCCHHDNW-CWRNSKLLSA-N 1 3 318.465 2.490 20 30 DEEDHO C=CCCC[C@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC001341552948 1143628077 /nfs/dbraw/zinc/62/80/77/1143628077.db2.gz NOVVESMGTCZXGQ-INIZCTEOSA-N 1 3 305.422 2.249 20 30 DEEDHO C=CCCC[C@H]([NH3+])C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC001342382232 1143814460 /nfs/dbraw/zinc/81/44/60/1143814460.db2.gz ZXRSUMVXITULFE-JKSUJKDBSA-N 1 3 307.413 2.228 20 30 DEEDHO C=CCO[C@@H]1CO[C@@]2(C1)CCCN(C1CC[NH+](C3CC3)CC1)C2 ZINC001256077710 1143828265 /nfs/dbraw/zinc/82/82/65/1143828265.db2.gz HRHGFBFRFLNCGI-RBUKOAKNSA-N 1 3 320.477 2.439 20 30 DEEDHO N#Cc1csc(C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256688244 1143862535 /nfs/dbraw/zinc/86/25/35/1143862535.db2.gz UZQUDVJEJKQFSO-UHFFFAOYSA-N 1 3 305.447 2.353 20 30 DEEDHO C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCN1C(C)C)C(C)(C)C ZINC001278963062 1143866597 /nfs/dbraw/zinc/86/65/97/1143866597.db2.gz WHLYRHWQKWFQOT-CVEARBPZSA-N 1 3 307.482 2.003 20 30 DEEDHO CCCCCCCC[C@H](N)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001263184140 1144360050 /nfs/dbraw/zinc/36/00/50/1144360050.db2.gz LWAXRRAYJNYIOO-KBPBESRZSA-N 1 3 319.440 2.425 20 30 DEEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001264380954 1144522244 /nfs/dbraw/zinc/52/22/44/1144522244.db2.gz UITPFWMMZZPLMH-IAGOWNOFSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001265088998 1144640839 /nfs/dbraw/zinc/64/08/39/1144640839.db2.gz IMEBMHPPIIXQDX-HOCLYGCPSA-N 1 3 304.438 2.278 20 30 DEEDHO C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001265374499 1144699366 /nfs/dbraw/zinc/69/93/66/1144699366.db2.gz NTCLXELOLPTGJU-IAGOWNOFSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001265947554 1144765892 /nfs/dbraw/zinc/76/58/92/1144765892.db2.gz PFRWYYLHYLPPAT-KRWDZBQOSA-N 1 3 301.434 2.128 20 30 DEEDHO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001282993102 1145228598 /nfs/dbraw/zinc/22/85/98/1145228598.db2.gz SLUUTIQDXNLXTN-KDURUIRLSA-N 1 3 321.509 2.321 20 30 DEEDHO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001282993102 1145228605 /nfs/dbraw/zinc/22/86/05/1145228605.db2.gz SLUUTIQDXNLXTN-KDURUIRLSA-N 1 3 321.509 2.321 20 30 DEEDHO C=CCC[N@@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001283333716 1145366444 /nfs/dbraw/zinc/36/64/44/1145366444.db2.gz AFKKNYQSJXCJCL-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001283333716 1145366451 /nfs/dbraw/zinc/36/64/51/1145366451.db2.gz AFKKNYQSJXCJCL-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001284700118 1145892400 /nfs/dbraw/zinc/89/24/00/1145892400.db2.gz PHZBXSMVOPFUQI-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001284700120 1145892411 /nfs/dbraw/zinc/89/24/11/1145892411.db2.gz PHZBXSMVOPFUQI-JKSUJKDBSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001491874232 1146944455 /nfs/dbraw/zinc/94/44/55/1146944455.db2.gz MKVKVWQICXDYJR-ZIAGYGMSSA-N 1 3 313.873 2.240 20 30 DEEDHO CC#CCN(C)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001491947873 1147014223 /nfs/dbraw/zinc/01/42/23/1147014223.db2.gz YMFLMAQZWPKEAC-SJORKVTESA-N 1 3 307.482 2.053 20 30 DEEDHO C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001316690043 1147319666 /nfs/dbraw/zinc/31/96/66/1147319666.db2.gz ZMHAUWOBDHOBOH-HIFRSBDPSA-N 1 3 315.889 2.297 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001317294732 1147686676 /nfs/dbraw/zinc/68/66/76/1147686676.db2.gz PWZWLNCRNKCTDL-IAGOWNOFSA-N 1 3 321.509 2.108 20 30 DEEDHO C=CCN[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC001317720383 1147746937 /nfs/dbraw/zinc/74/69/37/1147746937.db2.gz DNYMDXOCXFGXGF-IRXDYDNUSA-N 1 3 303.450 2.206 20 30 DEEDHO C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001318214941 1147799591 /nfs/dbraw/zinc/79/95/91/1147799591.db2.gz CCPRFRSLUHFBSP-IRXDYDNUSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001324786792 1147844443 /nfs/dbraw/zinc/84/44/43/1147844443.db2.gz ALDWTOSGMNBVQC-GOSISDBHSA-N 1 3 309.498 2.369 20 30 DEEDHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000181491895 199305824 /nfs/dbraw/zinc/30/58/24/199305824.db2.gz YHFQUAYJUGUYFI-INIZCTEOSA-N 1 3 300.450 2.236 20 30 DEEDHO CN1CCC(N2CC[C@@H]([N@H+](C)CC(C)(C)CCC#N)C2)CC1 ZINC000377633087 529844292 /nfs/dbraw/zinc/84/42/92/529844292.db2.gz USUDWSMCAHEKKX-QGZVFWFLSA-N 1 3 306.498 2.417 20 30 DEEDHO CN1CCC(N2CC[C@@H]([N@@H+](C)CC(C)(C)CCC#N)C2)CC1 ZINC000377633087 529844293 /nfs/dbraw/zinc/84/42/93/529844293.db2.gz USUDWSMCAHEKKX-QGZVFWFLSA-N 1 3 306.498 2.417 20 30 DEEDHO CN1CCC(N2CC[C@@H]([NH2+][C@H]3CCc4ccc(C#N)cc43)C2)CC1 ZINC000589341645 357465525 /nfs/dbraw/zinc/46/55/25/357465525.db2.gz CBXBJHRGDOCDAZ-XLIONFOSSA-N 1 3 324.472 2.304 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667729281 540516043 /nfs/dbraw/zinc/51/60/43/540516043.db2.gz BEHUUMIDFBDWJR-UHFFFAOYSA-N 1 3 302.422 2.307 20 30 DEEDHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cc(C#N)cs2)CC1 ZINC000121149951 195299710 /nfs/dbraw/zinc/29/97/10/195299710.db2.gz GEMASCRZEKYWOJ-CYBMUJFWSA-N 1 3 307.463 2.144 20 30 DEEDHO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000121044555 402012031 /nfs/dbraw/zinc/01/20/31/402012031.db2.gz CAMPXXMLSSPWIO-AEFFLSMTSA-N 1 3 318.461 2.038 20 30 DEEDHO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000121044555 402012034 /nfs/dbraw/zinc/01/20/34/402012034.db2.gz CAMPXXMLSSPWIO-AEFFLSMTSA-N 1 3 318.461 2.038 20 30 DEEDHO CCc1cnc(CNC(N[C@@H]2CN(C(C)C)C[C@@H]2C)=[NH+]C)s1 ZINC000158515182 402307023 /nfs/dbraw/zinc/30/70/23/402307023.db2.gz VHWQZFYWGVEBQX-GXTWGEPZSA-N 1 3 323.510 2.099 20 30 DEEDHO C=CCN1CCC(NC(=O)NCC[N@H+]2CCCC[C@H]2CC)CC1 ZINC000172264945 402647161 /nfs/dbraw/zinc/64/71/61/402647161.db2.gz LQYVPRNZPQKSMZ-QGZVFWFLSA-N 1 3 322.497 2.201 20 30 DEEDHO C=CCN1CCC(NC(=O)NCC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC000172264945 402647162 /nfs/dbraw/zinc/64/71/62/402647162.db2.gz LQYVPRNZPQKSMZ-QGZVFWFLSA-N 1 3 322.497 2.201 20 30 DEEDHO CN(CCC(=O)Nc1cccc(C#N)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000172583076 402663791 /nfs/dbraw/zinc/66/37/91/402663791.db2.gz HLPUWYGZUJYEMT-INIZCTEOSA-N 1 3 314.433 2.160 20 30 DEEDHO CN(CCC(=O)Nc1cccc(C#N)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000172583076 402663792 /nfs/dbraw/zinc/66/37/92/402663792.db2.gz HLPUWYGZUJYEMT-INIZCTEOSA-N 1 3 314.433 2.160 20 30 DEEDHO CCN(CCC[NH+](C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281259082 403062291 /nfs/dbraw/zinc/06/22/91/403062291.db2.gz QMTNETOJRQYMFQ-KRWDZBQOSA-N 1 3 312.417 2.041 20 30 DEEDHO Cc1ccc(NC(=[NH2+])NCCN2CCN(C)C(C)(C)C2)cc1C ZINC000281770551 403089907 /nfs/dbraw/zinc/08/99/07/403089907.db2.gz MFXIXIBJTXYGAD-UHFFFAOYSA-N 1 3 317.481 2.056 20 30 DEEDHO CN1CCC(Oc2ccc(CNC(=[NH2+])NC(C)(C)C)cc2)CC1 ZINC000283997755 403237752 /nfs/dbraw/zinc/23/77/52/403237752.db2.gz MHIJCQZMKOAENW-UHFFFAOYSA-N 1 3 318.465 2.362 20 30 DEEDHO C=CCN1CC[C@@H](N2CCC(C[N@@H+](C)CCCC)CC2)C1=O ZINC000337129334 403967182 /nfs/dbraw/zinc/96/71/82/403967182.db2.gz IKRIIAYXKAZZHT-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCN1CC[C@@H](N2CCC(C[N@H+](C)CCCC)CC2)C1=O ZINC000337129334 403967188 /nfs/dbraw/zinc/96/71/88/403967188.db2.gz IKRIIAYXKAZZHT-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CC1 ZINC000414204021 404547037 /nfs/dbraw/zinc/54/70/37/404547037.db2.gz VZEZHANWIQDXCX-SFHVURJKSA-N 1 3 321.509 2.117 20 30 DEEDHO CCN1CCN(CCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353416127 404825784 /nfs/dbraw/zinc/82/57/84/404825784.db2.gz XCUJFVUQSSZSOS-LJQANCHMSA-N 1 3 312.461 2.163 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C)C(C)C ZINC000353454968 404835007 /nfs/dbraw/zinc/83/50/07/404835007.db2.gz WXFLYVXKBAOYQG-KZNAEPCWSA-N 1 3 321.509 2.435 20 30 DEEDHO C=CCN1CCC(NC(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000358777551 404775244 /nfs/dbraw/zinc/77/52/44/404775244.db2.gz AFFFCCCCRUKFJW-UHFFFAOYSA-N 1 3 322.497 2.058 20 30 DEEDHO CCN(CC)[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)c1ccsc1 ZINC000424126950 405015291 /nfs/dbraw/zinc/01/52/91/405015291.db2.gz CIVQDZWMSRDSFM-GJZGRUSLSA-N 1 3 322.478 2.268 20 30 DEEDHO N#CCCC[C@@H](N)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000424128222 405015802 /nfs/dbraw/zinc/01/58/02/405015802.db2.gz FBXBQOLIYRETQX-QGZVFWFLSA-N 1 3 320.481 2.122 20 30 DEEDHO N#CCCC[C@@H](N)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000424128222 405015807 /nfs/dbraw/zinc/01/58/07/405015807.db2.gz FBXBQOLIYRETQX-QGZVFWFLSA-N 1 3 320.481 2.122 20 30 DEEDHO CC[NH+](CC)Cc1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424138779 405019636 /nfs/dbraw/zinc/01/96/36/405019636.db2.gz UVSBMTOLXZMFNK-MRXNPFEDSA-N 1 3 302.422 2.488 20 30 DEEDHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](N)CCCC#N)c1 ZINC000424140003 405019766 /nfs/dbraw/zinc/01/97/66/405019766.db2.gz VYDLPEKFJITFGB-QGZVFWFLSA-N 1 3 316.449 2.166 20 30 DEEDHO N#CCCC[C@@H](N)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000424182918 405032749 /nfs/dbraw/zinc/03/27/49/405032749.db2.gz UPTXZVNSIXHMCD-QGZVFWFLSA-N 1 3 314.433 2.285 20 30 DEEDHO C=CCN1CCC(NC(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424434380 405093065 /nfs/dbraw/zinc/09/30/65/405093065.db2.gz JQUGVFNRUBQIDR-UHFFFAOYSA-N 1 3 302.422 2.226 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000420796429 405386109 /nfs/dbraw/zinc/38/61/09/405386109.db2.gz UXRVPEDSMQHWJR-UHFFFAOYSA-N 1 3 322.497 2.199 20 30 DEEDHO C=C(C)COCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422987866 405693662 /nfs/dbraw/zinc/69/36/62/405693662.db2.gz HOLXUKSFERQLEJ-FUHWJXTLSA-N 1 3 302.418 2.425 20 30 DEEDHO CCC[NH+]1CCC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000471636287 406104291 /nfs/dbraw/zinc/10/42/91/406104291.db2.gz VEINMLDHODFDKT-KRWDZBQOSA-N 1 3 324.428 2.231 20 30 DEEDHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000527163119 406591109 /nfs/dbraw/zinc/59/11/09/406591109.db2.gz RNLMMDHRFGUQER-ZWKOTPCHSA-N 1 3 324.428 2.087 20 30 DEEDHO CC(C)[N@H+]1CC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000527163119 406591112 /nfs/dbraw/zinc/59/11/12/406591112.db2.gz RNLMMDHRFGUQER-ZWKOTPCHSA-N 1 3 324.428 2.087 20 30 DEEDHO C=CCCN(C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000655020074 425486308 /nfs/dbraw/zinc/48/63/08/425486308.db2.gz IDZLDRIARPEJAI-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[C@]1(C(=O)Nc2ccc3c(c2F)CCNC3)CCC[NH2+]1 ZINC000662777622 425734367 /nfs/dbraw/zinc/73/43/67/425734367.db2.gz VRAFZTAIDGSLLZ-QGZVFWFLSA-N 1 3 303.381 2.108 20 30 DEEDHO C=CC[C@@]1(C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000662694700 425713583 /nfs/dbraw/zinc/71/35/83/425713583.db2.gz BGYOJQGKEYPIAY-QAPCUYQASA-N 1 3 307.482 2.311 20 30 DEEDHO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@H]1CCCN1 ZINC000576861307 326325094 /nfs/dbraw/zinc/32/50/94/326325094.db2.gz VBUIEFZDFHHHGG-LHUBUQBQSA-N 1 3 314.433 2.373 20 30 DEEDHO C=C[C@@H]1OCC[C@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423156310 337701934 /nfs/dbraw/zinc/70/19/34/337701934.db2.gz RZQIPECNKIBPRZ-XLMAVXFVSA-N 1 3 300.402 2.175 20 30 DEEDHO C=CCN1CCC(NC(=O)[C@@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC001357395393 1152296023 /nfs/dbraw/zinc/29/60/23/1152296023.db2.gz DPMPEVBHSXLCIE-KRWDZBQOSA-N 1 3 319.493 2.313 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3CCC)[C@@H]2C1 ZINC001330296238 1149088143 /nfs/dbraw/zinc/08/81/43/1149088143.db2.gz KSIHNTPTNFZLMI-ZJPYXAASSA-N 1 3 319.493 2.121 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3CCC)[C@@H]2C1 ZINC001330296238 1149088150 /nfs/dbraw/zinc/08/81/50/1149088150.db2.gz KSIHNTPTNFZLMI-ZJPYXAASSA-N 1 3 319.493 2.121 20 30 DEEDHO C[NH+]=C(NCC1(N2CCC(OC)CC2)CCCC1)N1CCCC1 ZINC000263172276 526350072 /nfs/dbraw/zinc/35/00/72/526350072.db2.gz SAWWWPGIQDVFSR-UHFFFAOYSA-N 1 3 322.497 2.081 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N2CCC(C[NH2+]CC)CC2)CC1 ZINC000417538022 526585693 /nfs/dbraw/zinc/58/56/93/526585693.db2.gz MLZLKASERRYKCO-UHFFFAOYSA-N 1 3 322.497 2.058 20 30 DEEDHO CCOCc1ccc(CNC(=[NH2+])NC[C@H]2CCCN2CC)cc1 ZINC000264127017 529035047 /nfs/dbraw/zinc/03/50/47/529035047.db2.gz WPZJRWCUIRMYLS-QGZVFWFLSA-N 1 3 318.465 2.112 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001330467972 1149150987 /nfs/dbraw/zinc/15/09/87/1149150987.db2.gz OBWBAKXVAQARRF-YESZJQIVSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001330467972 1149151003 /nfs/dbraw/zinc/15/10/03/1149151003.db2.gz OBWBAKXVAQARRF-YESZJQIVSA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]12 ZINC001026385490 625393673 /nfs/dbraw/zinc/39/36/73/625393673.db2.gz CAIHVLUFDBKVQH-FGTMMUONSA-N 1 3 319.493 2.121 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC000947310602 625436827 /nfs/dbraw/zinc/43/68/27/625436827.db2.gz UOHGOJIOFDWBJM-JKSUJKDBSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC000947310602 625436828 /nfs/dbraw/zinc/43/68/28/625436828.db2.gz UOHGOJIOFDWBJM-JKSUJKDBSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000971542152 624184950 /nfs/dbraw/zinc/18/49/50/624184950.db2.gz ZLOHOIQNEQZWBY-FUHWJXTLSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000971542152 624184951 /nfs/dbraw/zinc/18/49/51/624184951.db2.gz ZLOHOIQNEQZWBY-FUHWJXTLSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]12 ZINC001026267878 625240354 /nfs/dbraw/zinc/24/03/54/625240354.db2.gz RMMGKYBURBDMEX-BRWVUGGUSA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(C)CN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974650260 633207285 /nfs/dbraw/zinc/20/72/85/633207285.db2.gz IIDVWMLYYLKXBX-DLBZAZTESA-N 1 3 321.509 2.367 20 30 DEEDHO C=C(C)CN1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974650260 633207289 /nfs/dbraw/zinc/20/72/89/633207289.db2.gz IIDVWMLYYLKXBX-DLBZAZTESA-N 1 3 321.509 2.367 20 30 DEEDHO C#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000998007495 634108676 /nfs/dbraw/zinc/10/86/76/634108676.db2.gz OOEDOPCNJPLHKZ-OKZBNKHCSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000998007495 634108680 /nfs/dbraw/zinc/10/86/80/634108680.db2.gz OOEDOPCNJPLHKZ-OKZBNKHCSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000998105234 634142903 /nfs/dbraw/zinc/14/29/03/634142903.db2.gz XSSORDJFLQQROG-OKZBNKHCSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000998105234 634142905 /nfs/dbraw/zinc/14/29/05/634142905.db2.gz XSSORDJFLQQROG-OKZBNKHCSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027886012 634873476 /nfs/dbraw/zinc/87/34/76/634873476.db2.gz MQKDOWWEURKZMB-FUHWJXTLSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027886012 634873479 /nfs/dbraw/zinc/87/34/79/634873479.db2.gz MQKDOWWEURKZMB-FUHWJXTLSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001001466456 635502002 /nfs/dbraw/zinc/50/20/02/635502002.db2.gz HSUQHSGNEPVQMR-KRWDZBQOSA-N 1 3 307.482 2.265 20 30 DEEDHO CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001001912725 635574585 /nfs/dbraw/zinc/57/45/85/635574585.db2.gz ZCXCOONGKLDDDT-SFHVURJKSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC000981811968 635666516 /nfs/dbraw/zinc/66/65/16/635666516.db2.gz DAKPOSQRLZHTBH-QGZVFWFLSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC000981811968 635666520 /nfs/dbraw/zinc/66/65/20/635666520.db2.gz DAKPOSQRLZHTBH-QGZVFWFLSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001006083292 637180756 /nfs/dbraw/zinc/18/07/56/637180756.db2.gz CIJPCBKOFCXOPX-INIZCTEOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001006083640 637181598 /nfs/dbraw/zinc/18/15/98/637181598.db2.gz LGLPSGLZSUWQKQ-QGZVFWFLSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001006083640 637181602 /nfs/dbraw/zinc/18/16/02/637181602.db2.gz LGLPSGLZSUWQKQ-QGZVFWFLSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001006117232 637214818 /nfs/dbraw/zinc/21/48/18/637214818.db2.gz UYIISXHYUZHAHM-SJORKVTESA-N 1 3 305.466 2.112 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001006117232 637214824 /nfs/dbraw/zinc/21/48/24/637214824.db2.gz UYIISXHYUZHAHM-SJORKVTESA-N 1 3 305.466 2.112 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H](NC(=O)C23CCCN2CCC3)[C@@H]1C ZINC000993534467 647691865 /nfs/dbraw/zinc/69/18/65/647691865.db2.gz YJANBJPHBWLIEM-JKSUJKDBSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C23CCCN2CCC3)[C@@H]1C ZINC000993534467 647691869 /nfs/dbraw/zinc/69/18/69/647691869.db2.gz YJANBJPHBWLIEM-JKSUJKDBSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCN1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940837428 648953879 /nfs/dbraw/zinc/95/38/79/648953879.db2.gz UEVKHFOLAJNANL-MRXNPFEDSA-N 1 3 319.493 2.265 20 30 DEEDHO C=CCN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940980854 648978331 /nfs/dbraw/zinc/97/83/31/648978331.db2.gz ZVLQGJXYGZKYMF-HRCADAONSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940980854 648978335 /nfs/dbraw/zinc/97/83/35/648978335.db2.gz ZVLQGJXYGZKYMF-HRCADAONSA-N 1 3 307.482 2.119 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)c1ccc(C)cc1 ZINC000304750105 685258766 /nfs/dbraw/zinc/25/87/66/685258766.db2.gz IDWMBZIENFTLPO-DOTOQJQBSA-N 1 3 302.466 2.487 20 30 DEEDHO [NH2+]=C(NCCCN1CCc2ccccc2C1)N1CCCCC1 ZINC000303890877 685237468 /nfs/dbraw/zinc/23/74/68/685237468.db2.gz MULXKUNCZHGSDH-UHFFFAOYSA-N 1 3 300.450 2.235 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccccc2C)CC1 ZINC000303982546 685242084 /nfs/dbraw/zinc/24/20/84/685242084.db2.gz QHJYIZACXLJALC-INIZCTEOSA-N 1 3 314.477 2.415 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001016651468 687674531 /nfs/dbraw/zinc/67/45/31/687674531.db2.gz IGLZKKIWMXQFNJ-CVEARBPZSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001016651473 687674962 /nfs/dbraw/zinc/67/49/62/687674962.db2.gz IGLZKKIWMXQFNJ-HZPDHXFCSA-N 1 3 305.466 2.018 20 30 DEEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001017572149 687915584 /nfs/dbraw/zinc/91/55/84/687915584.db2.gz VOSIGISYWSDKLQ-XWTMOSNGSA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001017572149 687915591 /nfs/dbraw/zinc/91/55/91/687915591.db2.gz VOSIGISYWSDKLQ-XWTMOSNGSA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001033320983 689461277 /nfs/dbraw/zinc/46/12/77/689461277.db2.gz YSJGIEPJDIJPDK-INIZCTEOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001033320983 689461278 /nfs/dbraw/zinc/46/12/78/689461278.db2.gz YSJGIEPJDIJPDK-INIZCTEOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CN1CCCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034258487 689785681 /nfs/dbraw/zinc/78/56/81/689785681.db2.gz XWUXIJHWZSJIKC-KRWDZBQOSA-N 1 3 319.493 2.409 20 30 DEEDHO C=CCN1CCCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034260307 689785736 /nfs/dbraw/zinc/78/57/36/689785736.db2.gz IDWWECPXOMWYLL-MRXNPFEDSA-N 1 3 305.466 2.019 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000876724861 689916946 /nfs/dbraw/zinc/91/69/46/689916946.db2.gz ARBIPFFIXPZVEI-YDHLFZDLSA-N 1 3 315.889 2.331 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001034642759 689917303 /nfs/dbraw/zinc/91/73/03/689917303.db2.gz LAXLHUKFZOGTDN-BRWVUGGUSA-N 1 3 307.482 2.452 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000876738950 689923248 /nfs/dbraw/zinc/92/32/48/689923248.db2.gz AULPCHRGWKIPDX-OAHLLOKOSA-N 1 3 313.873 2.227 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001034796954 689949593 /nfs/dbraw/zinc/94/95/93/689949593.db2.gz RTOYUZJKHZKPDC-QBPKDAKJSA-N 1 3 307.482 2.452 20 30 DEEDHO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)N(C)C)CC2 ZINC001035229745 690066832 /nfs/dbraw/zinc/06/68/32/690066832.db2.gz ZBDBTQYESDLORD-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)N(C)C)CC2 ZINC001035229745 690066833 /nfs/dbraw/zinc/06/68/33/690066833.db2.gz ZBDBTQYESDLORD-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CCC)CC2 ZINC001035716930 690159472 /nfs/dbraw/zinc/15/94/72/690159472.db2.gz BDDCKSGGYBMARI-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CCC)CC2 ZINC001035716930 690159474 /nfs/dbraw/zinc/15/94/74/690159474.db2.gz BDDCKSGGYBMARI-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001036716534 690443730 /nfs/dbraw/zinc/44/37/30/690443730.db2.gz HLEIMENLWLUHAZ-SJORKVTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001036716534 690443731 /nfs/dbraw/zinc/44/37/31/690443731.db2.gz HLEIMENLWLUHAZ-SJORKVTESA-N 1 3 319.493 2.360 20 30 DEEDHO C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1CC ZINC001037855211 690624432 /nfs/dbraw/zinc/62/44/32/690624432.db2.gz OJKAXGKYCNRSTM-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038246091 690755764 /nfs/dbraw/zinc/75/57/64/690755764.db2.gz BOPGUIASWQRGFG-FUHWJXTLSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038246091 690755768 /nfs/dbraw/zinc/75/57/68/690755768.db2.gz BOPGUIASWQRGFG-FUHWJXTLSA-N 1 3 319.493 2.408 20 30 DEEDHO CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001039401410 691098122 /nfs/dbraw/zinc/09/81/22/691098122.db2.gz ARPDDAPMNVNJJJ-SJORKVTESA-N 1 3 322.412 2.037 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040395890 691242801 /nfs/dbraw/zinc/24/28/01/691242801.db2.gz RCFWFNRYSRUTHN-MJGOQNOKSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040395890 691242802 /nfs/dbraw/zinc/24/28/02/691242802.db2.gz RCFWFNRYSRUTHN-MJGOQNOKSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCC[NH+]1CCC2(CCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001040849719 691292507 /nfs/dbraw/zinc/29/25/07/691292507.db2.gz UXBXJOJBKHRRPU-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041377676 691368970 /nfs/dbraw/zinc/36/89/70/691368970.db2.gz CVDLGYCPAVOTEI-PKOBYXMFSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041377676 691368973 /nfs/dbraw/zinc/36/89/73/691368973.db2.gz CVDLGYCPAVOTEI-PKOBYXMFSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001041845658 691444686 /nfs/dbraw/zinc/44/46/86/691444686.db2.gz MLFLDGZEEBGNCU-HKUYNNGSSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001041845658 691444690 /nfs/dbraw/zinc/44/46/90/691444690.db2.gz MLFLDGZEEBGNCU-HKUYNNGSSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCN1CCC(C)(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001045438273 691981238 /nfs/dbraw/zinc/98/12/38/691981238.db2.gz NFJASTJWJKQCOB-CVEARBPZSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CCN1CCC(C)(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001045438273 691981241 /nfs/dbraw/zinc/98/12/41/691981241.db2.gz NFJASTJWJKQCOB-CVEARBPZSA-N 1 3 305.466 2.018 20 30 DEEDHO C=CCN1CC[C@@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001046706755 692268502 /nfs/dbraw/zinc/26/85/02/692268502.db2.gz LBOYHUJBPDHRSD-GOSISDBHSA-N 1 3 301.434 2.128 20 30 DEEDHO N#Cc1ccc(NCCN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)nc1 ZINC000925894255 693361184 /nfs/dbraw/zinc/36/11/84/693361184.db2.gz VPVVTJHYXNQNDC-MSOLQXFVSA-N 1 3 321.428 2.448 20 30 DEEDHO C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001393660651 1157895851 /nfs/dbraw/zinc/89/58/51/1157895851.db2.gz UCBMEMQTLFIAPV-AWEZNQCLSA-N 1 3 313.873 2.194 20 30 DEEDHO C=C(Cl)CNC[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C ZINC001394830865 1158806303 /nfs/dbraw/zinc/80/63/03/1158806303.db2.gz DNAKZSBZHKYLJN-ZDUSSCGKSA-N 1 3 303.878 2.201 20 30 DEEDHO C=C(Cl)CNC[C@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C ZINC001394830865 1158806307 /nfs/dbraw/zinc/80/63/07/1158806307.db2.gz DNAKZSBZHKYLJN-ZDUSSCGKSA-N 1 3 303.878 2.201 20 30 DEEDHO N#Cc1cccc([C@@H](O)CN2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC001434477516 1178630407 /nfs/dbraw/zinc/63/04/07/1178630407.db2.gz CIXFMZOZFXIMGC-IBGZPJMESA-N 1 3 322.412 2.199 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001436402893 1179081241 /nfs/dbraw/zinc/08/12/41/1179081241.db2.gz KYNOTFMQCPOOJV-KBUPBQIOSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001436909037 1179298292 /nfs/dbraw/zinc/29/82/92/1179298292.db2.gz CBIFBCGOUJYRHE-MGPQQGTHSA-N 1 3 301.862 2.096 20 30 DEEDHO C#CCCN(C)CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C(C)C ZINC001332736104 1149886384 /nfs/dbraw/zinc/88/63/84/1149886384.db2.gz WCVRDHQBNOBKAK-QZTJIDSGSA-N 1 3 319.493 2.195 20 30 DEEDHO C#CCCN(C)CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C(C)C ZINC001332736104 1149886387 /nfs/dbraw/zinc/88/63/87/1149886387.db2.gz WCVRDHQBNOBKAK-QZTJIDSGSA-N 1 3 319.493 2.195 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106363 779704144 /nfs/dbraw/zinc/70/41/44/779704144.db2.gz XLWXDQOIZBWMBK-KSZLIROESA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106363 779704147 /nfs/dbraw/zinc/70/41/47/779704147.db2.gz XLWXDQOIZBWMBK-KSZLIROESA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001091057914 790872257 /nfs/dbraw/zinc/87/22/57/790872257.db2.gz GNZSADUMJSMAIX-NRXISQOPSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001091057914 790872265 /nfs/dbraw/zinc/87/22/65/790872265.db2.gz GNZSADUMJSMAIX-NRXISQOPSA-N 1 3 313.873 2.098 20 30 DEEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001085855964 784150201 /nfs/dbraw/zinc/15/02/01/784150201.db2.gz NPUQJYAPALYDOE-IRXDYDNUSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001085855964 784150207 /nfs/dbraw/zinc/15/02/07/784150207.db2.gz NPUQJYAPALYDOE-IRXDYDNUSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001085855963 784150243 /nfs/dbraw/zinc/15/02/43/784150243.db2.gz NPUQJYAPALYDOE-IAGOWNOFSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001085855963 784150251 /nfs/dbraw/zinc/15/02/51/784150251.db2.gz NPUQJYAPALYDOE-IAGOWNOFSA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001086216816 784497747 /nfs/dbraw/zinc/49/77/47/784497747.db2.gz AMAPFDCZYVCXHP-IXDOHACOSA-N 1 3 307.482 2.310 20 30 DEEDHO C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171237522 791087998 /nfs/dbraw/zinc/08/79/98/791087998.db2.gz QOMUATMQDJHOIE-CQSZACIVSA-N 1 3 315.889 2.488 20 30 DEEDHO C=CCC[C@H](C)N1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001113677842 786754830 /nfs/dbraw/zinc/75/48/30/786754830.db2.gz SMPBROTXLRDYCS-KRWDZBQOSA-N 1 3 307.482 2.361 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001097975815 788305477 /nfs/dbraw/zinc/30/54/77/788305477.db2.gz FJYAAOUYFCIKDT-ZACQAIPSSA-N 1 3 305.466 2.016 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133345364 788375680 /nfs/dbraw/zinc/37/56/80/788375680.db2.gz BDLKUNZLCHVDLB-IRXDYDNUSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001134608681 789004353 /nfs/dbraw/zinc/00/43/53/789004353.db2.gz YZJVZLQLCMQWBL-QWHCGFSZSA-N 1 3 301.862 2.096 20 30 DEEDHO C=CCC[N@H+]1C[C@H](NC(=O)C(C)(C)N2CCCC2)CC[C@@H]1C ZINC001071735994 789897971 /nfs/dbraw/zinc/89/79/71/789897971.db2.gz WAVMXOAWYDJHHH-JKSUJKDBSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)N2CCCC2)CC[C@@H]1C ZINC001071735994 789897977 /nfs/dbraw/zinc/89/79/77/789897977.db2.gz WAVMXOAWYDJHHH-JKSUJKDBSA-N 1 3 307.482 2.406 20 30 DEEDHO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001146583750 791309577 /nfs/dbraw/zinc/30/95/77/791309577.db2.gz PAGQFXWAJWANQG-HZPDHXFCSA-N 1 3 315.461 2.258 20 30 DEEDHO C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001086943474 791858067 /nfs/dbraw/zinc/85/80/67/791858067.db2.gz VMPAUVBJRWONIO-SJORKVTESA-N 1 3 319.493 2.053 20 30 DEEDHO C=CCC[NH2+]C1CC(CNC(=O)c2ccccc2CN(C)C)C1 ZINC001101027992 792972459 /nfs/dbraw/zinc/97/24/59/792972459.db2.gz VUXZHROSSYHSJB-UHFFFAOYSA-N 1 3 315.461 2.422 20 30 DEEDHO C[C@@H](Cc1ccc(C#N)cc1)N1CCN(CCC[NH+](C)C)CC1 ZINC001172319835 793398206 /nfs/dbraw/zinc/39/82/06/793398206.db2.gz RLUDWVATICURFC-KRWDZBQOSA-N 1 3 314.477 2.059 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001103664844 794181167 /nfs/dbraw/zinc/18/11/67/794181167.db2.gz ZCVIAYLMKUCACN-IAGOWNOFSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001103664844 794181170 /nfs/dbraw/zinc/18/11/70/794181170.db2.gz ZCVIAYLMKUCACN-IAGOWNOFSA-N 1 3 309.498 2.369 20 30 DEEDHO C#CC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CCCCCC ZINC001175747887 794277544 /nfs/dbraw/zinc/27/75/44/794277544.db2.gz VXEWYTLTIDEZHT-QGZVFWFLSA-N 1 3 309.498 2.396 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)CCCC[NH2+]CCC=C)CC1 ZINC001176738177 794484308 /nfs/dbraw/zinc/48/43/08/794484308.db2.gz PJMAUJQGXFLZDP-QGZVFWFLSA-N 1 3 319.493 2.172 20 30 DEEDHO C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001176760439 794498836 /nfs/dbraw/zinc/49/88/36/794498836.db2.gz WOPYXHUQJHLLSD-IRXDYDNUSA-N 1 3 307.482 2.149 20 30 DEEDHO C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001112380464 794617702 /nfs/dbraw/zinc/61/77/02/794617702.db2.gz JEJCBWMYYOPWIH-LNLFQRSKSA-N 1 3 319.493 2.265 20 30 DEEDHO C=C(Cl)C[NH2+]CCCCCCNC(=O)CN(CC)CC ZINC001179846346 795187628 /nfs/dbraw/zinc/18/76/28/795187628.db2.gz CWMZWRKZXKTOIV-UHFFFAOYSA-N 1 3 303.878 2.347 20 30 DEEDHO C=C(C)C[NH2+]C1CC2(CC(NC(=O)C(C)(C)N(C)CC)C2)C1 ZINC001121318461 795616642 /nfs/dbraw/zinc/61/66/42/795616642.db2.gz IOJOQOCLRJSUON-UHFFFAOYSA-N 1 3 307.482 2.310 20 30 DEEDHO C#CCOc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1OC ZINC001138346009 796202209 /nfs/dbraw/zinc/20/22/09/796202209.db2.gz UCQKRAVWRGFODL-UHFFFAOYSA-N 1 3 316.445 2.481 20 30 DEEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001186555670 796415534 /nfs/dbraw/zinc/41/55/34/796415534.db2.gz TYFMZFVXCAKEEG-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001186555669 796415861 /nfs/dbraw/zinc/41/58/61/796415861.db2.gz TYFMZFVXCAKEEG-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO CC#CCN[C@@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001187034475 796481977 /nfs/dbraw/zinc/48/19/77/796481977.db2.gz HFCUSQMMCJBNSN-QGZVFWFLSA-N 1 3 307.482 2.102 20 30 DEEDHO C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193027221 797492358 /nfs/dbraw/zinc/49/23/58/797492358.db2.gz NUNYONWAUXKCSK-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193027221 797492360 /nfs/dbraw/zinc/49/23/60/797492360.db2.gz NUNYONWAUXKCSK-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193028983 797492669 /nfs/dbraw/zinc/49/26/69/797492669.db2.gz WVIKVLBTJXQMLU-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193028983 797492672 /nfs/dbraw/zinc/49/26/72/797492672.db2.gz WVIKVLBTJXQMLU-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001155612515 797805837 /nfs/dbraw/zinc/80/58/37/797805837.db2.gz XDKUMNPFSRLYBC-SJORKVTESA-N 1 3 307.482 2.101 20 30 DEEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001155612515 797805844 /nfs/dbraw/zinc/80/58/44/797805844.db2.gz XDKUMNPFSRLYBC-SJORKVTESA-N 1 3 307.482 2.101 20 30 DEEDHO C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199787620 798538631 /nfs/dbraw/zinc/53/86/31/798538631.db2.gz CBPOSYLRSXAELK-KRWDZBQOSA-N 1 3 307.482 2.408 20 30 DEEDHO CC#CCN1CC=C(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001161214060 798811224 /nfs/dbraw/zinc/81/12/24/798811224.db2.gz RIEFFNFIGRABOM-GOSISDBHSA-N 1 3 319.493 2.269 20 30 DEEDHO C[NH+]=C(NCc1ccco1)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000103338305 799470334 /nfs/dbraw/zinc/47/03/34/799470334.db2.gz XRICVUGMJMEPRD-CQSZACIVSA-N 1 3 306.454 2.455 20 30 DEEDHO CN(C)C1(CNc2ccc3c(C#N)c[nH]c3c2)CC[NH+](C)CC1 ZINC001164212900 799540306 /nfs/dbraw/zinc/54/03/06/799540306.db2.gz JTCVAWXFYMEYEW-UHFFFAOYSA-N 1 3 311.433 2.477 20 30 DEEDHO C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001165617329 799751808 /nfs/dbraw/zinc/75/18/08/799751808.db2.gz LHMQREYVFKFSBT-INIZCTEOSA-N 1 3 309.498 2.415 20 30 DEEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001110994273 799816277 /nfs/dbraw/zinc/81/62/77/799816277.db2.gz WAJXZUMHMMONHK-WCXIOVBPSA-N 1 3 307.482 2.260 20 30 DEEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001110994273 799816286 /nfs/dbraw/zinc/81/62/86/799816286.db2.gz WAJXZUMHMMONHK-WCXIOVBPSA-N 1 3 307.482 2.260 20 30 DEEDHO C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203651172 800100035 /nfs/dbraw/zinc/10/00/35/800100035.db2.gz LWQVCIVBHDTMDB-CVEARBPZSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203792094 800123938 /nfs/dbraw/zinc/12/39/38/800123938.db2.gz NGVYTOMOQOPEDM-ZIAGYGMSSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001205461551 800360335 /nfs/dbraw/zinc/36/03/35/800360335.db2.gz NDMJEBLIWHRUCG-KRWDZBQOSA-N 1 3 307.482 2.121 20 30 DEEDHO CN(C)c1ccc(CN2CCC[C@](F)(C[NH3+])CC2)c(F)c1C#N ZINC001205579619 800379980 /nfs/dbraw/zinc/37/99/80/800379980.db2.gz OQMGVWPDXUWDLA-QGZVFWFLSA-N 1 3 322.403 2.416 20 30 DEEDHO CSc1nc(CN2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc1C#N ZINC001206003825 800456239 /nfs/dbraw/zinc/45/62/39/800456239.db2.gz MWWXTVGBENIMJF-STQMWFEESA-N 1 3 304.463 2.482 20 30 DEEDHO C=CCCC[NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001206275711 800501562 /nfs/dbraw/zinc/50/15/62/800501562.db2.gz ZGMLMYJZCFHSAD-MRXNPFEDSA-N 1 3 307.482 2.123 20 30 DEEDHO C#CCC[NH2+]CC1CCN(C(=O)CN(C)CCCCCC)CC1 ZINC001206621908 800566649 /nfs/dbraw/zinc/56/66/49/800566649.db2.gz KOTNPXKPUVZPDD-UHFFFAOYSA-N 1 3 321.509 2.350 20 30 DEEDHO CC1(C(=O)Nc2sc3c(c2C#N)CCNC3)CCC([NH3+])CC1 ZINC001218553423 802204193 /nfs/dbraw/zinc/20/41/93/802204193.db2.gz PLYZAJMQAKVBMV-UHFFFAOYSA-N 1 3 318.446 2.112 20 30 DEEDHO C=C1C[NH2+][C@](C)(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC001221063110 802525739 /nfs/dbraw/zinc/52/57/39/802525739.db2.gz MOWCQTFEQDKETH-HKUYNNGSSA-N 1 3 313.445 2.075 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)N(CC)CC)[C@@H]2C1 ZINC001221811632 802618104 /nfs/dbraw/zinc/61/81/04/802618104.db2.gz CUZXOGZSRKKNIY-IXDOHACOSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)N(CC)CC)[C@@H]2C1 ZINC001221811632 802618107 /nfs/dbraw/zinc/61/81/07/802618107.db2.gz CUZXOGZSRKKNIY-IXDOHACOSA-N 1 3 307.482 2.216 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)CC ZINC001227158325 803209275 /nfs/dbraw/zinc/20/92/75/803209275.db2.gz FRTMBNRXDUZDGU-ZIAGYGMSSA-N 1 3 315.889 2.486 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@H+](C)CC ZINC001227158325 803209279 /nfs/dbraw/zinc/20/92/79/803209279.db2.gz FRTMBNRXDUZDGU-ZIAGYGMSSA-N 1 3 315.889 2.486 20 30 DEEDHO C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001330915976 1149333365 /nfs/dbraw/zinc/33/33/65/1149333365.db2.gz LTCANWVPTQENTM-RHSMWYFYSA-N 1 3 313.461 2.259 20 30 DEEDHO C=CCC[C@H](C)[NH2+]CC1CC(NC(=O)Cc2nc[nH]c2C)C1 ZINC001328950450 1148851511 /nfs/dbraw/zinc/85/15/11/1148851511.db2.gz RAKHOAPUFKBKGF-GRTSSRMGSA-N 1 3 304.438 2.100 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]CC1CC(NC(=O)Cc2nc[nH]c2C)C1 ZINC001328950451 1148851369 /nfs/dbraw/zinc/85/13/69/1148851369.db2.gz RAKHOAPUFKBKGF-LRVUVFPRSA-N 1 3 304.438 2.100 20 30 DEEDHO C=CCC[NH2+]C[C@@H](NC(=O)Cc1nc[nH]c1C)C1CCCC1 ZINC001500123365 1058507103 /nfs/dbraw/zinc/50/71/03/1058507103.db2.gz WTFSUEYKCLTKRW-MRXNPFEDSA-N 1 3 304.438 2.101 20 30 DEEDHO C#CCN1CCC(C)(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001500461925 1058805450 /nfs/dbraw/zinc/80/54/50/1058805450.db2.gz COFPNUIMEYDZPF-UHFFFAOYSA-N 1 3 319.493 2.104 20 30 DEEDHO CC#CCN1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001500495401 1058855565 /nfs/dbraw/zinc/85/55/65/1058855565.db2.gz DKUMMLQNWNMXON-IEBWSBKVSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001500495401 1058855588 /nfs/dbraw/zinc/85/55/88/1058855588.db2.gz DKUMMLQNWNMXON-IEBWSBKVSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001501051381 1059234039 /nfs/dbraw/zinc/23/40/39/1059234039.db2.gz VNWZVURIZOYTGB-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001505436638 1060592483 /nfs/dbraw/zinc/59/24/83/1060592483.db2.gz BBLVZQDLWXXQOQ-DLBZAZTESA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001505436638 1060592502 /nfs/dbraw/zinc/59/25/02/1060592502.db2.gz BBLVZQDLWXXQOQ-DLBZAZTESA-N 1 3 307.482 2.216 20 30 DEEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001506663727 1062253597 /nfs/dbraw/zinc/25/35/97/1062253597.db2.gz VWCOGGHMKIAWBB-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001506753045 1062364822 /nfs/dbraw/zinc/36/48/22/1062364822.db2.gz MCLCOSDKBKMYAK-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001480669819 1063165108 /nfs/dbraw/zinc/16/51/08/1063165108.db2.gz VYYOWCMPGHFUGE-QGZVFWFLSA-N 1 3 307.482 2.123 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CCCC)C(C)(C)C)CC1 ZINC001508034330 1063509118 /nfs/dbraw/zinc/50/91/18/1063509118.db2.gz DRXZNOWNPLFEAO-QGZVFWFLSA-N 1 3 321.509 2.252 20 30 DEEDHO C=C(Cl)CNCC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001568695260 1065054951 /nfs/dbraw/zinc/05/49/51/1065054951.db2.gz ZOYJHPKTJRZEDP-AWEZNQCLSA-N 1 3 315.889 2.344 20 30 DEEDHO C=CC[NH2+]C1(CNC(=O)[C@H]2CCCCN2C(C)C)CCCC1 ZINC001495949007 1065190682 /nfs/dbraw/zinc/19/06/82/1065190682.db2.gz MTYCIODJTHZLPH-MRXNPFEDSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1 ZINC001569880056 1065790737 /nfs/dbraw/zinc/79/07/37/1065790737.db2.gz LJPMGEJNWKHSRY-NCOADZHNSA-N 1 3 307.482 2.072 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1 ZINC001569880056 1065790746 /nfs/dbraw/zinc/79/07/46/1065790746.db2.gz LJPMGEJNWKHSRY-NCOADZHNSA-N 1 3 307.482 2.072 20 30 DEEDHO C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001570045863 1065901710 /nfs/dbraw/zinc/90/17/10/1065901710.db2.gz UMMHMXTUEYPORB-BZSNNMDCSA-N 1 3 319.493 2.147 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001498458170 1066720802 /nfs/dbraw/zinc/72/08/02/1066720802.db2.gz RQEPJFMBVIHJQN-HNNXBMFYSA-N 1 3 303.450 2.374 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001498458170 1066720810 /nfs/dbraw/zinc/72/08/10/1066720810.db2.gz RQEPJFMBVIHJQN-HNNXBMFYSA-N 1 3 303.450 2.374 20 30 DEEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1CC ZINC001498897381 1066945422 /nfs/dbraw/zinc/94/54/22/1066945422.db2.gz CXNDJTYSVIYFOM-HOTGVXAUSA-N 1 3 309.498 2.367 20 30 DEEDHO N#C[C@@H](c1ccc(F)cc1)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC001580035810 1067477662 /nfs/dbraw/zinc/47/76/62/1067477662.db2.gz HCRXPRDBIMBDEX-YJBOKZPZSA-N 1 3 316.424 2.008 20 30 DEEDHO C=CCN1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001570823090 1068128879 /nfs/dbraw/zinc/12/88/79/1068128879.db2.gz QSQOARXIYKJMAH-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@@H+](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001571334237 1068228109 /nfs/dbraw/zinc/22/81/09/1068228109.db2.gz QWXUBMNLOZQJOH-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@H+](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001571334237 1068228113 /nfs/dbraw/zinc/22/81/13/1068228113.db2.gz QWXUBMNLOZQJOH-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001571558070 1068419173 /nfs/dbraw/zinc/41/91/73/1068419173.db2.gz AXPFCRXPDUIPAF-HNNXBMFYSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCN(CCC)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001481136370 1079243786 /nfs/dbraw/zinc/24/37/86/1079243786.db2.gz BGNHKZQGUWMQAQ-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCN(CCC)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001481136370 1079243788 /nfs/dbraw/zinc/24/37/88/1079243788.db2.gz BGNHKZQGUWMQAQ-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H](NC(=O)Cc1nc[nH]c1C)C1CCCC1 ZINC001484013362 1079242719 /nfs/dbraw/zinc/24/27/19/1079242719.db2.gz UKALAKSTXAXPDD-KRWDZBQOSA-N 1 3 318.465 2.491 20 30 DEEDHO C=CCN1CCC[C@@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001484163060 1079337941 /nfs/dbraw/zinc/33/79/41/1079337941.db2.gz GQYIJGOZJNWZCQ-SFHVURJKSA-N 1 3 319.493 2.267 20 30 DEEDHO C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001566790788 1075345561 /nfs/dbraw/zinc/34/55/61/1075345561.db2.gz YCHCOJBQUREPRH-VQHPVUNQSA-N 1 3 307.482 2.451 20 30 DEEDHO C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001566804366 1075349697 /nfs/dbraw/zinc/34/96/97/1075349697.db2.gz ZJZUWTSZBDUQSO-CKEIUWERSA-N 1 3 311.445 2.012 20 30 DEEDHO C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001566813829 1075350923 /nfs/dbraw/zinc/35/09/23/1075350923.db2.gz PHQIYMUSAWQHKN-QAETUUGQSA-N 1 3 307.482 2.452 20 30 DEEDHO C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001267703648 1079392368 /nfs/dbraw/zinc/39/23/68/1079392368.db2.gz SOGNSBDRJHNOBP-IAGOWNOFSA-N 1 3 309.498 2.319 20 30 DEEDHO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001267703648 1079392371 /nfs/dbraw/zinc/39/23/71/1079392371.db2.gz SOGNSBDRJHNOBP-IAGOWNOFSA-N 1 3 309.498 2.319 20 30 DEEDHO C#CCN(C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001567195526 1075460664 /nfs/dbraw/zinc/46/06/64/1075460664.db2.gz QWKKAQXCCIGXKO-QGZVFWFLSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001481729498 1080397471 /nfs/dbraw/zinc/39/74/71/1080397471.db2.gz WDSUEACAXKQUOO-DLBZAZTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001481729498 1080397480 /nfs/dbraw/zinc/39/74/80/1080397480.db2.gz WDSUEACAXKQUOO-DLBZAZTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001664739651 1080952514 /nfs/dbraw/zinc/95/25/14/1080952514.db2.gz CBKINIWEDLQZJE-IAGOWNOFSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001664739651 1080952521 /nfs/dbraw/zinc/95/25/21/1080952521.db2.gz CBKINIWEDLQZJE-IAGOWNOFSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCC[NH2+]C[C@]1(NC(=O)Cc2nc[nH]c2C)CCCC[C@H]1C ZINC001666069318 1081119414 /nfs/dbraw/zinc/11/94/14/1081119414.db2.gz SLZASJBFLQMHJS-RDTXWAMCSA-N 1 3 318.465 2.491 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C1 ZINC001672419530 1081595632 /nfs/dbraw/zinc/59/56/32/1081595632.db2.gz LJPMGEJNWKHSRY-MWDXBVQZSA-N 1 3 307.482 2.072 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C1 ZINC001672419530 1081595638 /nfs/dbraw/zinc/59/56/38/1081595638.db2.gz LJPMGEJNWKHSRY-MWDXBVQZSA-N 1 3 307.482 2.072 20 30 DEEDHO C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCCN2CCC)CCCC1 ZINC001270749126 1081624298 /nfs/dbraw/zinc/62/42/98/1081624298.db2.gz LFBUFYQXLNRHIC-MRXNPFEDSA-N 1 3 307.482 2.456 20 30 DEEDHO C#CCN1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001673385974 1081762836 /nfs/dbraw/zinc/76/28/36/1081762836.db2.gz HSLSCXKARRDRIL-KRWDZBQOSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCN1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001673385974 1081762844 /nfs/dbraw/zinc/76/28/44/1081762844.db2.gz HSLSCXKARRDRIL-KRWDZBQOSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001271665634 1082104709 /nfs/dbraw/zinc/10/47/09/1082104709.db2.gz MAIYQSVJOZDENU-IAGOWNOFSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001486129617 1085078910 /nfs/dbraw/zinc/07/89/10/1085078910.db2.gz NKVBHEJKDVOUJL-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC000965345656 1085593749 /nfs/dbraw/zinc/59/37/49/1085593749.db2.gz CDKPDZVZENJRCR-RFSHTEQGSA-N 1 3 319.493 2.452 20 30 DEEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000961570873 1085791463 /nfs/dbraw/zinc/79/14/63/1085791463.db2.gz ZUJJKHLYYDZXCB-XWTMOSNGSA-N 1 3 317.477 2.016 20 30 DEEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000961570873 1085791470 /nfs/dbraw/zinc/79/14/70/1085791470.db2.gz ZUJJKHLYYDZXCB-XWTMOSNGSA-N 1 3 317.477 2.016 20 30 DEEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001079848537 1088472038 /nfs/dbraw/zinc/47/20/38/1088472038.db2.gz ATRXTQRQUVIKFG-IXDOHACOSA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079848537 1088472050 /nfs/dbraw/zinc/47/20/50/1088472050.db2.gz ATRXTQRQUVIKFG-IXDOHACOSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001490772717 1093522239 /nfs/dbraw/zinc/52/22/39/1093522239.db2.gz QTCCXLCBLLZVMH-SJORKVTESA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001490772717 1093522251 /nfs/dbraw/zinc/52/22/51/1093522251.db2.gz QTCCXLCBLLZVMH-SJORKVTESA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCCN1CC ZINC001278007990 1138420854 /nfs/dbraw/zinc/42/08/54/1138420854.db2.gz ZEKDPNSJNGAKKG-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[NH2+][C@H](CC)CNC(=O)c1cccc(CN(C)C)c1 ZINC001318608481 1140371933 /nfs/dbraw/zinc/37/19/33/1140371933.db2.gz VWJRSRPEMHJPQO-QGZVFWFLSA-N 1 3 303.450 2.422 20 30 DEEDHO CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)C(C)(C)N1CCCC1 ZINC001319620051 1140627155 /nfs/dbraw/zinc/62/71/55/1140627155.db2.gz FFFWRGKBCPXDPV-INIZCTEOSA-N 1 3 307.482 2.005 20 30 DEEDHO C=CCOC(=O)N1CCC[C@]2(CCN([C@@H]3CC[NH2+][C@@H](C)C3)C2)C1 ZINC001246550200 1140953987 /nfs/dbraw/zinc/95/39/87/1140953987.db2.gz MGRMNWHIRBEMGG-LZLYRXPVSA-N 1 3 321.465 2.237 20 30 DEEDHO C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001323287747 1141837610 /nfs/dbraw/zinc/83/76/10/1141837610.db2.gz UHIDDWFEUBTWHA-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001323287747 1141837611 /nfs/dbraw/zinc/83/76/11/1141837611.db2.gz UHIDDWFEUBTWHA-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001323640253 1141873071 /nfs/dbraw/zinc/87/30/71/1141873071.db2.gz CQITWIQAXYCBBR-ZWKOTPCHSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001323860713 1141894065 /nfs/dbraw/zinc/89/40/65/1141894065.db2.gz UNNDZHWOWJOUIK-IEBWSBKVSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001323860713 1141894067 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CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](N)CCCC#N)C1 ZINC000424150211 405023753 /nfs/dbraw/zinc/02/37/53/405023753.db2.gz YKJUALFHNREFGE-HUUCEWRRSA-N 1 3 308.470 2.024 20 30 DEEDHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](N)CCCC#N)C1 ZINC000424150211 405023757 /nfs/dbraw/zinc/02/37/57/405023757.db2.gz YKJUALFHNREFGE-HUUCEWRRSA-N 1 3 308.470 2.024 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000417069956 405025805 /nfs/dbraw/zinc/02/58/05/405025805.db2.gz UXZZSKRUWMNHPA-GVDBMIGSSA-N 1 3 322.497 2.125 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])C(C)C ZINC000424455259 405100513 /nfs/dbraw/zinc/10/05/13/405100513.db2.gz RKPYVRHVWLETHT-BRWVUGGUSA-N 1 3 322.497 2.254 20 30 DEEDHO C#CCN1CCC(C(=O)Nc2ccc(C[NH+](C)C)cc2F)CC1 ZINC000491338127 406571441 /nfs/dbraw/zinc/57/14/41/406571441.db2.gz GIJPVHAYYBESIT-UHFFFAOYSA-N 1 3 317.408 2.171 20 30 DEEDHO CN(C(=[NH2+])NCc1ccc(OC2CCN(C)CC2)cc1)C1CC1 ZINC000284187117 225587414 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HIWMGTUGJPWRFB-UHFFFAOYSA-N 1 3 318.465 2.174 20 30 DEEDHO C=C(Cl)C[NH2+]C1CCC(NC(=O)CN2CCC[C@H]2C)CC1 ZINC001026561046 625523492 /nfs/dbraw/zinc/52/34/92/625523492.db2.gz MBLIJQPQWKFUJM-WLYUNCDWSA-N 1 3 313.873 2.240 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001020500026 622743344 /nfs/dbraw/zinc/74/33/44/622743344.db2.gz LPFZXSFOSHZWSO-RBSFLKMASA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001020500026 622743346 /nfs/dbraw/zinc/74/33/46/622743346.db2.gz LPFZXSFOSHZWSO-RBSFLKMASA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679939 623948527 /nfs/dbraw/zinc/94/85/27/623948527.db2.gz VCCIGISDDZKSSW-WBVHZDCISA-N 1 3 316.449 2.231 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679939 623948530 /nfs/dbraw/zinc/94/85/30/623948530.db2.gz VCCIGISDDZKSSW-WBVHZDCISA-N 1 3 316.449 2.231 20 30 DEEDHO 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DEEDHO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001007457372 784925819 /nfs/dbraw/zinc/92/58/19/784925819.db2.gz MGHPJWQBSCKWPM-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001115303690 785374390 /nfs/dbraw/zinc/37/43/90/785374390.db2.gz IGPDKIQQIRAWST-VQFNDLOPSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001115303690 785374393 /nfs/dbraw/zinc/37/43/93/785374393.db2.gz IGPDKIQQIRAWST-VQFNDLOPSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCC[C@H](C)N1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001113403037 786570048 /nfs/dbraw/zinc/57/00/48/786570048.db2.gz PTDHMYHDOMUCTL-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133850957 788632547 /nfs/dbraw/zinc/63/25/47/788632547.db2.gz SHQOBLKFSASSKG-RHSMWYFYSA-N 1 3 313.461 2.259 20 30 DEEDHO C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135467473 789355818 /nfs/dbraw/zinc/35/58/18/789355818.db2.gz GKKPIKUXURTJGQ-KGLIPLIRSA-N 1 3 315.889 2.344 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)C[C@]2(C)C1 ZINC001091909945 791898484 /nfs/dbraw/zinc/89/84/84/791898484.db2.gz FRSVQOXZGDLNSK-APWZRJJASA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)C[C@]2(C)C1 ZINC001091909945 791898489 /nfs/dbraw/zinc/89/84/89/791898489.db2.gz FRSVQOXZGDLNSK-APWZRJJASA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001098959621 792004137 /nfs/dbraw/zinc/00/41/37/792004137.db2.gz JPGWUYLEULLWJS-LNLFQRSKSA-N 1 3 317.477 2.018 20 30 DEEDHO C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001098959621 792004147 /nfs/dbraw/zinc/00/41/47/792004147.db2.gz JPGWUYLEULLWJS-LNLFQRSKSA-N 1 3 317.477 2.018 20 30 DEEDHO C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001098959621 792004160 /nfs/dbraw/zinc/00/41/60/792004160.db2.gz JPGWUYLEULLWJS-LNLFQRSKSA-N 1 3 317.477 2.018 20 30 DEEDHO C=C(Cl)CNC1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001101026554 792970955 /nfs/dbraw/zinc/97/09/55/792970955.db2.gz NNRHSNQMTWZKMD-UHFFFAOYSA-N 1 3 313.873 2.099 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CN(C)CCC)[C@H](C)C1 ZINC001102524995 793640317 /nfs/dbraw/zinc/64/03/17/793640317.db2.gz HFJIEVGSFBJDJN-IXDOHACOSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)CN(C)CCC)[C@H](C)C1 ZINC001102524995 793640323 /nfs/dbraw/zinc/64/03/23/793640323.db2.gz HFJIEVGSFBJDJN-IXDOHACOSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176351964 794411791 /nfs/dbraw/zinc/41/17/91/794411791.db2.gz XLDGYUWTQCQOII-CQSZACIVSA-N 1 3 306.454 2.491 20 30 DEEDHO C=C(Cl)C[NH2+]CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001176884569 794522066 /nfs/dbraw/zinc/52/20/66/794522066.db2.gz NNXYZFPOBHEFEQ-UHFFFAOYSA-N 1 3 309.841 2.210 20 30 DEEDHO CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CCCCC1 ZINC001115535451 794812472 /nfs/dbraw/zinc/81/24/72/794812472.db2.gz WPDFGHGBFLJQSG-KRWDZBQOSA-N 1 3 319.493 2.291 20 30 DEEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+]CCCC)CC1 ZINC001180361110 795284720 /nfs/dbraw/zinc/28/47/20/795284720.db2.gz SZBUKYNVGKIWIZ-UHFFFAOYSA-N 1 3 321.509 2.398 20 30 DEEDHO CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001120450043 795463582 /nfs/dbraw/zinc/46/35/82/795463582.db2.gz RSZDQAXPTZRWED-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001120450043 795463590 /nfs/dbraw/zinc/46/35/90/795463590.db2.gz RSZDQAXPTZRWED-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001120458660 795464497 /nfs/dbraw/zinc/46/44/97/795464497.db2.gz IEDCFQHHCLUECR-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001120458660 795464503 /nfs/dbraw/zinc/46/45/03/795464503.db2.gz IEDCFQHHCLUECR-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001120469196 795466814 /nfs/dbraw/zinc/46/68/14/795466814.db2.gz IFLIOGZNAHNGAW-ROUUACIJSA-N 1 3 319.493 2.053 20 30 DEEDHO CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001120469196 795466817 /nfs/dbraw/zinc/46/68/17/795466817.db2.gz IFLIOGZNAHNGAW-ROUUACIJSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCN2CCC)C[C@H]1C ZINC001181671484 795518078 /nfs/dbraw/zinc/51/80/78/795518078.db2.gz OLZYLQAOHMJXLH-SOLBZPMBSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[NH2+]C1CC2(CC(NC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001121237793 795606839 /nfs/dbraw/zinc/60/68/39/795606839.db2.gz GNHHZLMMATUUCV-UHFFFAOYSA-N 1 3 305.466 2.064 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001182591586 795712933 /nfs/dbraw/zinc/71/29/33/795712933.db2.gz XXWHOHGXKKGHOD-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001183228317 795828638 /nfs/dbraw/zinc/82/86/38/795828638.db2.gz GSRLVGNKDUQVPW-SJLPKXTDSA-N 1 3 309.498 2.369 20 30 DEEDHO CC#CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001185168700 796200848 /nfs/dbraw/zinc/20/08/48/796200848.db2.gz IUYQPJYXAZSJHG-SJORKVTESA-N 1 3 321.509 2.062 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)CN(CC)CC)C[C@@H]1C ZINC001185361469 796238592 /nfs/dbraw/zinc/23/85/92/796238592.db2.gz YYAZKHDUAWQDIG-DLBZAZTESA-N 1 3 309.498 2.369 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C12CCC2 ZINC001203026688 796511467 /nfs/dbraw/zinc/51/14/67/796511467.db2.gz AMBXPDVIJJNXQT-JKSUJKDBSA-N 1 3 305.466 2.064 20 30 DEEDHO C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192378054 797376712 /nfs/dbraw/zinc/37/67/12/797376712.db2.gz RHPWOZOLBKGKIK-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192378054 797376720 /nfs/dbraw/zinc/37/67/20/797376720.db2.gz RHPWOZOLBKGKIK-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@H+]1CC=C(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001161207246 798809267 /nfs/dbraw/zinc/80/92/67/798809267.db2.gz RFUGWFVLZFFFPF-QGZVFWFLSA-N 1 3 319.493 2.433 20 30 DEEDHO C=CCCC[N@@H+]1CC=C(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001161207246 798809271 /nfs/dbraw/zinc/80/92/71/798809271.db2.gz RFUGWFVLZFFFPF-QGZVFWFLSA-N 1 3 319.493 2.433 20 30 DEEDHO CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114413520 799094887 /nfs/dbraw/zinc/09/48/87/799094887.db2.gz BCLIHYQUKDIGFD-DZFIZOCASA-N 1 3 321.509 2.488 20 30 DEEDHO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114413520 799094895 /nfs/dbraw/zinc/09/48/95/799094895.db2.gz BCLIHYQUKDIGFD-DZFIZOCASA-N 1 3 321.509 2.488 20 30 DEEDHO C=CCCC[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001202526646 799105209 /nfs/dbraw/zinc/10/52/09/799105209.db2.gz NCHZEGYNWCNNAJ-UHFFFAOYSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001206952218 800640175 /nfs/dbraw/zinc/64/01/75/800640175.db2.gz DSQNWKYSSICFRR-KRWDZBQOSA-N 1 3 307.482 2.265 20 30 DEEDHO CN(C)CC(C)(C)C[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001207283182 800722236 /nfs/dbraw/zinc/72/22/36/800722236.db2.gz VKPWLOUAFDUJHJ-UHFFFAOYSA-N 1 3 315.465 2.053 20 30 DEEDHO CN(C)CC(C)(C)C[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001207283182 800722238 /nfs/dbraw/zinc/72/22/38/800722238.db2.gz VKPWLOUAFDUJHJ-UHFFFAOYSA-N 1 3 315.465 2.053 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001208014127 800892519 /nfs/dbraw/zinc/89/25/19/800892519.db2.gz MNHRWSXDEURJPM-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001230575828 801425261 /nfs/dbraw/zinc/42/52/61/801425261.db2.gz QVYYCJOBSRTXDM-KRWDZBQOSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001230575828 801425264 /nfs/dbraw/zinc/42/52/64/801425264.db2.gz QVYYCJOBSRTXDM-KRWDZBQOSA-N 1 3 319.493 2.053 20 30 DEEDHO C#Cc1cccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c1 ZINC001231660534 801706891 /nfs/dbraw/zinc/70/68/91/801706891.db2.gz HPBJWICTZHAPHW-UHFFFAOYSA-N 1 3 311.473 2.127 20 30 DEEDHO N#Cc1c2c(sc1NC(=O)C[C@H]1CC[C@H]([NH3+])CC1)CNCC2 ZINC001218553266 802204046 /nfs/dbraw/zinc/20/40/46/802204046.db2.gz ONBFGWDCLRDOPH-XYPYZODXSA-N 1 3 318.446 2.112 20 30 DEEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC001220047922 802404936 /nfs/dbraw/zinc/40/49/36/802404936.db2.gz DMXHXLBBAOQBSY-YOEHRIQHSA-N 1 3 316.449 2.231 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001221544633 802590634 /nfs/dbraw/zinc/59/06/34/802590634.db2.gz ZOSDKFWXYIBNOG-KZNAEPCWSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001221544633 802590639 /nfs/dbraw/zinc/59/06/39/802590639.db2.gz ZOSDKFWXYIBNOG-KZNAEPCWSA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N(C)CC)[C@@H]2C1 ZINC001221657462 802601663 /nfs/dbraw/zinc/60/16/63/802601663.db2.gz XLYRDIRUWBFTQB-HZPDHXFCSA-N 1 3 307.482 2.216 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N(C)CC)[C@@H]2C1 ZINC001221657462 802601665 /nfs/dbraw/zinc/60/16/65/802601665.db2.gz XLYRDIRUWBFTQB-HZPDHXFCSA-N 1 3 307.482 2.216 20 30 DEEDHO C=C(C)CC[NH+]1CCC(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001224559034 802881866 /nfs/dbraw/zinc/88/18/66/802881866.db2.gz LUNSRHBXDGSWRA-INIZCTEOSA-N 1 3 307.482 2.123 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001501143062 1059325007 /nfs/dbraw/zinc/32/50/07/1059325007.db2.gz IPAAOSZSXVLKDV-ZWKOTPCHSA-N 1 3 321.509 2.369 20 30 DEEDHO CC#CCN1CCCCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001506581662 1062157209 /nfs/dbraw/zinc/15/72/09/1062157209.db2.gz YDZFHULJQFEFJU-QGZVFWFLSA-N 1 3 307.482 2.102 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001507326536 1063100691 /nfs/dbraw/zinc/10/06/91/1063100691.db2.gz VDYKPEXRQBPZOA-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001507408505 1063245227 /nfs/dbraw/zinc/24/52/27/1063245227.db2.gz GQVGSKVOWOZAGX-HOTGVXAUSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCN[C@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001567662614 1064326494 /nfs/dbraw/zinc/32/64/94/1064326494.db2.gz BBZZGWUGHFFEDQ-GOSISDBHSA-N 1 3 315.461 2.351 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001567925822 1064527138 /nfs/dbraw/zinc/52/71/38/1064527138.db2.gz UKSBDSQPLBCXJI-CQSZACIVSA-N 1 3 304.438 2.186 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001567925822 1064527150 /nfs/dbraw/zinc/52/71/50/1064527150.db2.gz UKSBDSQPLBCXJI-CQSZACIVSA-N 1 3 304.438 2.186 20 30 DEEDHO C=CCC[NH2+][C@H](CC)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001567976828 1064574806 /nfs/dbraw/zinc/57/48/06/1064574806.db2.gz KQGSLOPWSNDOJW-PBHICJAKSA-N 1 3 313.461 2.259 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001611434435 1078101502 /nfs/dbraw/zinc/10/15/02/1078101502.db2.gz VIFRDJSEBSDUDP-GOSISDBHSA-N 1 3 315.461 2.448 20 30 DEEDHO CC#CC[NH2+]C[C@H](NC(=O)CN1CC[C@@H](C)C1)C1CCCCC1 ZINC001568346779 1064794021 /nfs/dbraw/zinc/79/40/21/1064794021.db2.gz NXQAVAQNXAUXCB-AEFFLSMTSA-N 1 3 319.493 2.006 20 30 DEEDHO CC#CC[NH2+]C[C@@H](NC(=O)CN1CC[C@@H](C)C1)C1CCCCC1 ZINC001568346781 1064795040 /nfs/dbraw/zinc/79/50/40/1064795040.db2.gz NXQAVAQNXAUXCB-SJLPKXTDSA-N 1 3 319.493 2.006 20 30 DEEDHO C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001568401567 1064838270 /nfs/dbraw/zinc/83/82/70/1064838270.db2.gz VSMCUFAVTPDPAH-HUUCEWRRSA-N 1 3 313.873 2.051 20 30 DEEDHO C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001568401567 1064838281 /nfs/dbraw/zinc/83/82/81/1064838281.db2.gz VSMCUFAVTPDPAH-HUUCEWRRSA-N 1 3 313.873 2.051 20 30 DEEDHO C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001568401563 1064838916 /nfs/dbraw/zinc/83/89/16/1064838916.db2.gz VSMCUFAVTPDPAH-CABCVRRESA-N 1 3 313.873 2.051 20 30 DEEDHO C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001568401563 1064838922 /nfs/dbraw/zinc/83/89/22/1064838922.db2.gz VSMCUFAVTPDPAH-CABCVRRESA-N 1 3 313.873 2.051 20 30 DEEDHO C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CCCCC1 ZINC001496316111 1065403839 /nfs/dbraw/zinc/40/38/39/1065403839.db2.gz YBWSQAIVNHCFLX-ROUUACIJSA-N 1 3 319.493 2.147 20 30 DEEDHO C#CCN1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001570179528 1065957933 /nfs/dbraw/zinc/95/79/33/1065957933.db2.gz PXHHQABKQFQPIB-MRXNPFEDSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCN1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001570179528 1065957946 /nfs/dbraw/zinc/95/79/46/1065957946.db2.gz PXHHQABKQFQPIB-MRXNPFEDSA-N 1 3 319.493 2.243 20 30 DEEDHO C[C@@H]1CC2(CN1Cc1ccc(C#N)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001576639290 1066652625 /nfs/dbraw/zinc/65/26/25/1066652625.db2.gz ZXXJUAMFKHUYSO-CYBMUJFWSA-N 1 3 314.389 2.430 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1CC ZINC001498904545 1066949141 /nfs/dbraw/zinc/94/91/41/1066949141.db2.gz VJVLJVZDXKCXID-GJZGRUSLSA-N 1 3 315.889 2.297 20 30 DEEDHO N#CCCC[C@@H](N)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001580047837 1067481854 /nfs/dbraw/zinc/48/18/54/1067481854.db2.gz PYXRJAQIQJHACY-QGZVFWFLSA-N 1 3 320.481 2.122 20 30 DEEDHO C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)Cc2nc[nH]c2C)CC1 ZINC001571650513 1068460094 /nfs/dbraw/zinc/46/00/94/1068460094.db2.gz VXBZJKOSJOYOBR-AWEZNQCLSA-N 1 3 318.465 2.444 20 30 DEEDHO C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001279237034 1078775498 /nfs/dbraw/zinc/77/54/98/1078775498.db2.gz OKDWFQUVHNSJFY-YVSFHVDLSA-N 1 3 307.482 2.118 20 30 DEEDHO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001279237034 1078775504 /nfs/dbraw/zinc/77/55/04/1078775504.db2.gz OKDWFQUVHNSJFY-YVSFHVDLSA-N 1 3 307.482 2.118 20 30 DEEDHO C#CC[N@@H+](CCCNC(=O)c1cccc(CN(C)C)c1)C(C)C ZINC001267341405 1078779209 /nfs/dbraw/zinc/77/92/09/1078779209.db2.gz WWWAFUFPVNLPPU-UHFFFAOYSA-N 1 3 315.461 2.212 20 30 DEEDHO C#CC[N@H+](CCCNC(=O)c1cccc(CN(C)C)c1)C(C)C ZINC001267341405 1078779213 /nfs/dbraw/zinc/77/92/13/1078779213.db2.gz WWWAFUFPVNLPPU-UHFFFAOYSA-N 1 3 315.461 2.212 20 30 DEEDHO CCCCCCC[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001272477699 1078912271 /nfs/dbraw/zinc/91/22/71/1078912271.db2.gz AFHYQBHQWDPEKP-GOSISDBHSA-N 1 3 309.498 2.443 20 30 DEEDHO CCCCCCC[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001272477699 1078912277 /nfs/dbraw/zinc/91/22/77/1078912277.db2.gz AFHYQBHQWDPEKP-GOSISDBHSA-N 1 3 309.498 2.443 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001267565743 1078999885 /nfs/dbraw/zinc/99/98/85/1078999885.db2.gz UAOZVFKHRAPXTR-MRXNPFEDSA-N 1 3 309.498 2.369 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001267565743 1078999890 /nfs/dbraw/zinc/99/98/90/1078999890.db2.gz UAOZVFKHRAPXTR-MRXNPFEDSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001481112763 1079196710 /nfs/dbraw/zinc/19/67/10/1079196710.db2.gz RYUFLZXMNOSOPB-INIZCTEOSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001481112763 1079196713 /nfs/dbraw/zinc/19/67/13/1079196713.db2.gz RYUFLZXMNOSOPB-INIZCTEOSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001566813828 1075351397 /nfs/dbraw/zinc/35/13/97/1075351397.db2.gz PHQIYMUSAWQHKN-LUKYLMHMSA-N 1 3 307.482 2.452 20 30 DEEDHO C=C(C)CC[NH2+]C1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001566987787 1075408953 /nfs/dbraw/zinc/40/89/53/1075408953.db2.gz LSMJEPCZIYTYEV-KLAILNCOSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCCC[NH2+][C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001567054443 1075424044 /nfs/dbraw/zinc/42/40/44/1075424044.db2.gz RLELFCMBXCORKT-RHSMWYFYSA-N 1 3 313.461 2.259 20 30 DEEDHO C=CCCC[NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001267919065 1079601415 /nfs/dbraw/zinc/60/14/15/1079601415.db2.gz NSMXUDBMAWXDNT-UHFFFAOYSA-N 1 3 307.482 2.267 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001267929474 1079612351 /nfs/dbraw/zinc/61/23/51/1079612351.db2.gz LSMJEPCZIYTYEV-BRWVUGGUSA-N 1 3 307.482 2.311 20 30 DEEDHO C#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001484771964 1079787348 /nfs/dbraw/zinc/78/73/48/1079787348.db2.gz JDFKJSUOKKWKDQ-ROUUACIJSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001484771964 1079787356 /nfs/dbraw/zinc/78/73/56/1079787356.db2.gz JDFKJSUOKKWKDQ-ROUUACIJSA-N 1 3 319.493 2.053 20 30 DEEDHO C=C(C)C[NH2+]CCC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001482004899 1080679981 /nfs/dbraw/zinc/67/99/81/1080679981.db2.gz YCDPVTRLRFRKSV-QGZVFWFLSA-N 1 3 309.498 2.367 20 30 DEEDHO CC#CCNCc1ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001482034810 1080721901 /nfs/dbraw/zinc/72/19/01/1080721901.db2.gz CAHQKAMTNIDZLI-GOSISDBHSA-N 1 3 315.461 2.002 20 30 DEEDHO C=C(C)CN[C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001664588379 1080929270 /nfs/dbraw/zinc/92/92/70/1080929270.db2.gz TUJXBZIIPMSJNJ-GOSISDBHSA-N 1 3 315.461 2.351 20 30 DEEDHO CC#CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001666389142 1081150104 /nfs/dbraw/zinc/15/01/04/1081150104.db2.gz CRYRAIVEKHMQSP-SFHVURJKSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCCCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001269254641 1081185092 /nfs/dbraw/zinc/18/50/92/1081185092.db2.gz CWXKENOJPACXRX-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001269254641 1081185094 /nfs/dbraw/zinc/18/50/94/1081185094.db2.gz CWXKENOJPACXRX-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[C@H](C)[NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001284770364 1081432386 /nfs/dbraw/zinc/43/23/86/1081432386.db2.gz BOOIBUZSGXVBPQ-FHERZECASA-N 1 3 307.482 2.404 20 30 DEEDHO C=CC[NH2+]Cc1ccc(CNC(=O)CN(C)C2CCC2)cc1 ZINC001270065649 1081442214 /nfs/dbraw/zinc/44/22/14/1081442214.db2.gz VHQFFJYFRFWKSV-UHFFFAOYSA-N 1 3 301.434 2.063 20 30 DEEDHO C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001674348661 1081863337 /nfs/dbraw/zinc/86/33/37/1081863337.db2.gz ZBBMFQQTIYDLSF-GOSISDBHSA-N 1 3 321.509 2.156 20 30 DEEDHO C#CCC[N@H+](CC)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001674348661 1081863342 /nfs/dbraw/zinc/86/33/42/1081863342.db2.gz ZBBMFQQTIYDLSF-GOSISDBHSA-N 1 3 321.509 2.156 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]c3C)CCC[C@@H]12 ZINC001107620846 1083529955 /nfs/dbraw/zinc/52/99/55/1083529955.db2.gz AURZRWKDLDLQFH-SJLPKXTDSA-N 1 3 316.449 2.198 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]c3C)CCC[C@@H]12 ZINC001107620846 1083529963 /nfs/dbraw/zinc/52/99/63/1083529963.db2.gz AURZRWKDLDLQFH-SJLPKXTDSA-N 1 3 316.449 2.198 20 30 DEEDHO CC#CC[N@H+](CC1CC1)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001277398166 1083947869 /nfs/dbraw/zinc/94/78/69/1083947869.db2.gz DUAKWVBVNLFUBK-UHFFFAOYSA-N 1 3 319.493 2.053 20 30 DEEDHO CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001277398166 1083947875 /nfs/dbraw/zinc/94/78/75/1083947875.db2.gz DUAKWVBVNLFUBK-UHFFFAOYSA-N 1 3 319.493 2.053 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001272763958 1083971323 /nfs/dbraw/zinc/97/13/23/1083971323.db2.gz ZPOACRXGVAFYHW-ULQDDVLXSA-N 1 3 307.482 2.169 20 30 DEEDHO C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961181307 1085626253 /nfs/dbraw/zinc/62/62/53/1085626253.db2.gz JDAPGCMIWHGABT-DLBZAZTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961181307 1085626258 /nfs/dbraw/zinc/62/62/58/1085626258.db2.gz JDAPGCMIWHGABT-DLBZAZTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961227051 1085645439 /nfs/dbraw/zinc/64/54/39/1085645439.db2.gz CAZGWHGVPANMFV-CVEARBPZSA-N 1 3 316.449 2.089 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961227051 1085645446 /nfs/dbraw/zinc/64/54/46/1085645446.db2.gz CAZGWHGVPANMFV-CVEARBPZSA-N 1 3 316.449 2.089 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961350486 1085700334 /nfs/dbraw/zinc/70/03/34/1085700334.db2.gz XJNAFPAPLVDGFV-MSOLQXFVSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961350486 1085700343 /nfs/dbraw/zinc/70/03/43/1085700343.db2.gz XJNAFPAPLVDGFV-MSOLQXFVSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001274437194 1091241993 /nfs/dbraw/zinc/24/19/93/1091241993.db2.gz RIUVKULQQVYHDQ-CVEARBPZSA-N 1 3 309.498 2.365 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001274437194 1091241996 /nfs/dbraw/zinc/24/19/96/1091241996.db2.gz RIUVKULQQVYHDQ-CVEARBPZSA-N 1 3 309.498 2.365 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001006441800 1092117722 /nfs/dbraw/zinc/11/77/22/1092117722.db2.gz FPGOEABJFZDOES-UHFFFAOYSA-N 1 3 315.461 2.471 20 30 DEEDHO C#CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001319890674 1140800519 /nfs/dbraw/zinc/80/05/19/1140800519.db2.gz PLYQTIIXQVZVMI-GOSISDBHSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001319890674 1140800520 /nfs/dbraw/zinc/80/05/20/1140800520.db2.gz PLYQTIIXQVZVMI-GOSISDBHSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCOC(=O)N1CCCC2(CCN(C3CC[NH2+]CC3)CC2)C1 ZINC001246526152 1140934504 /nfs/dbraw/zinc/93/45/04/1140934504.db2.gz MRUWEABXRRXKIQ-UHFFFAOYSA-N 1 3 321.465 2.239 20 30 DEEDHO C=CCOC(=O)N1CCCC2(CC[NH+](C3CCNCC3)CC2)C1 ZINC001246526152 1140934515 /nfs/dbraw/zinc/93/45/15/1140934515.db2.gz MRUWEABXRRXKIQ-UHFFFAOYSA-N 1 3 321.465 2.239 20 30 DEEDHO C=C(C)C[NH+]1CCC(C)(NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001324343787 1142059246 /nfs/dbraw/zinc/05/92/46/1142059246.db2.gz UAQFELYBUVJODK-HZPDHXFCSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001278631955 1142384958 /nfs/dbraw/zinc/38/49/58/1142384958.db2.gz AJYRLZVKHUBKDG-MRXNPFEDSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC001252571753 1142768555 /nfs/dbraw/zinc/76/85/55/1142768555.db2.gz JSKJYNARNBDTJQ-MKXGPGLRSA-N 1 3 300.446 2.424 20 30 DEEDHO N#CC1CC[NH+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254030055 1143029269 /nfs/dbraw/zinc/02/92/69/1143029269.db2.gz UXODAQQGSVPQMF-UHFFFAOYSA-N 1 3 313.445 2.249 20 30 DEEDHO C=CCCC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001341805038 1143713884 /nfs/dbraw/zinc/71/38/84/1143713884.db2.gz HPGZFIQBQWUJSE-QZTJIDSGSA-N 1 3 315.461 2.403 20 30 DEEDHO C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001264127447 1144477404 /nfs/dbraw/zinc/47/74/04/1144477404.db2.gz FTURWJGQFNCRGN-MSOLQXFVSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001265087260 1144640710 /nfs/dbraw/zinc/64/07/10/1144640710.db2.gz XHBOSQBWXLZHBB-WBVHZDCISA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266116930 1144807273 /nfs/dbraw/zinc/80/72/73/1144807273.db2.gz OXABMKFHFMSOBZ-SJORKVTESA-N 1 3 309.498 2.462 20 30 DEEDHO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266116930 1144807274 /nfs/dbraw/zinc/80/72/74/1144807274.db2.gz OXABMKFHFMSOBZ-SJORKVTESA-N 1 3 309.498 2.462 20 30 DEEDHO C#CCNC1(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCC1 ZINC001280499385 1144842895 /nfs/dbraw/zinc/84/28/95/1144842895.db2.gz CVTWOXNHPNEOBH-KRWDZBQOSA-N 1 3 317.477 2.045 20 30 DEEDHO C#CCNC1(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCC1 ZINC001280499385 1144842896 /nfs/dbraw/zinc/84/28/96/1144842896.db2.gz CVTWOXNHPNEOBH-KRWDZBQOSA-N 1 3 317.477 2.045 20 30 DEEDHO C#CC[NH2+]C1(CNC(=O)[C@@H]2CCCCN2C2CCCC2)CCC1 ZINC001280499385 1144842897 /nfs/dbraw/zinc/84/28/97/1144842897.db2.gz CVTWOXNHPNEOBH-KRWDZBQOSA-N 1 3 317.477 2.045 20 30 DEEDHO CC#CC[NH2+][C@H](CCNC(=O)[C@H]1CCCCN1C(C)C)C(C)C ZINC001283462784 1145446256 /nfs/dbraw/zinc/44/62/56/1145446256.db2.gz JFYXASHWDXJVMS-QZTJIDSGSA-N 1 3 321.509 2.393 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)CN(C)CC(C)(C)C ZINC001492165541 1147108481 /nfs/dbraw/zinc/10/84/81/1147108481.db2.gz XAOGUOIOZSIFQW-KRWDZBQOSA-N 1 3 321.509 2.348 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)CN(C)CC(C)(C)C ZINC001492165541 1147108483 /nfs/dbraw/zinc/10/84/83/1147108483.db2.gz XAOGUOIOZSIFQW-KRWDZBQOSA-N 1 3 321.509 2.348 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001317203862 1147273554 /nfs/dbraw/zinc/27/35/54/1147273554.db2.gz APIQINQMPZNLOM-ROUUACIJSA-N 1 3 319.493 2.195 20 30 DEEDHO CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001317203862 1147273562 /nfs/dbraw/zinc/27/35/62/1147273562.db2.gz APIQINQMPZNLOM-ROUUACIJSA-N 1 3 319.493 2.195 20 30 DEEDHO C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001366780537 1147555981 /nfs/dbraw/zinc/55/59/81/1147555981.db2.gz DTTCWICNRYQEAE-CQSZACIVSA-N 1 3 313.873 2.051 20 30 DEEDHO C#CCC[N@@H+](CCCNC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001316925796 1147632864 /nfs/dbraw/zinc/63/28/64/1147632864.db2.gz XXCJVWJCMZNMOJ-SFHVURJKSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCC[N@H+](CCCNC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001316925796 1147632866 /nfs/dbraw/zinc/63/28/66/1147632866.db2.gz XXCJVWJCMZNMOJ-SFHVURJKSA-N 1 3 319.493 2.243 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001316995266 1147646344 /nfs/dbraw/zinc/64/63/44/1147646344.db2.gz OOANATNAGKNFRS-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001316995266 1147646345 /nfs/dbraw/zinc/64/63/45/1147646345.db2.gz OOANATNAGKNFRS-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001317407842 1147702264 /nfs/dbraw/zinc/70/22/64/1147702264.db2.gz ZGPJJMQGWCTIFM-PBHICJAKSA-N 1 3 313.461 2.259 20 30 DEEDHO C=CCN[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001317721018 1147747137 /nfs/dbraw/zinc/74/71/37/1147747137.db2.gz QTGDFYUUHUWOQC-ZWKOTPCHSA-N 1 3 315.461 2.494 20 30 DEEDHO C=CCN[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001317721018 1147747139 /nfs/dbraw/zinc/74/71/39/1147747139.db2.gz QTGDFYUUHUWOQC-ZWKOTPCHSA-N 1 3 315.461 2.494 20 30 DEEDHO CN1CC[NH+]=C1NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000261859483 529778583 /nfs/dbraw/zinc/77/85/83/529778583.db2.gz AJXSJLHNUKVSMC-UHFFFAOYSA-N 1 3 320.868 2.443 20 30 DEEDHO CC(C)(CC#N)CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601968204 360213157 /nfs/dbraw/zinc/21/31/57/360213157.db2.gz YLBLHDZOWIQUJR-GOSISDBHSA-N 1 3 301.434 2.153 20 30 DEEDHO CC(C)(CC#N)CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601968204 360213159 /nfs/dbraw/zinc/21/31/59/360213159.db2.gz YLBLHDZOWIQUJR-GOSISDBHSA-N 1 3 301.434 2.153 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(C)([NH3+])CC1)C(C)C ZINC000669385645 540823270 /nfs/dbraw/zinc/82/32/70/540823270.db2.gz AJCYVSWRWKWFSQ-INIZCTEOSA-N 1 3 322.497 2.208 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCC[N@@H+](C)[C@@H](C)CC)CC1 ZINC000106271732 194193559 /nfs/dbraw/zinc/19/35/59/194193559.db2.gz YLRIQUDSEBNEHO-HNNXBMFYSA-N 1 3 310.486 2.056 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCC[N@H+](C)[C@@H](C)CC)CC1 ZINC000106271732 194193562 /nfs/dbraw/zinc/19/35/62/194193562.db2.gz YLRIQUDSEBNEHO-HNNXBMFYSA-N 1 3 310.486 2.056 20 30 DEEDHO N#Cc1cccc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000268953756 207118245 /nfs/dbraw/zinc/11/82/45/207118245.db2.gz FPENTORKPFHHDB-OALUTQOASA-N 1 3 313.445 2.416 20 30 DEEDHO Cn1cc(C[NH2+]CC2CCN(c3ccncc3)CC2)cc1C#N ZINC000191547535 402678146 /nfs/dbraw/zinc/67/81/46/402678146.db2.gz VFPLJEZEYXNERR-UHFFFAOYSA-N 1 3 309.417 2.298 20 30 DEEDHO CN(C(=[NH2+])NCC1CCN(Cc2cccs2)CC1)C1CC1 ZINC000273370313 402998651 /nfs/dbraw/zinc/99/86/51/402998651.db2.gz VHXHRMVQVSOOKZ-UHFFFAOYSA-N 1 3 306.479 2.369 20 30 DEEDHO C=CCOc1ccccc1CNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000267454565 403039228 /nfs/dbraw/zinc/03/92/28/403039228.db2.gz SNEJEYZAVSGPOY-INIZCTEOSA-N 1 3 316.449 2.140 20 30 DEEDHO CCc1cccc(NC(=[NH2+])NCCN2CCN(C)C(C)(C)C2)c1 ZINC000281863142 403099325 /nfs/dbraw/zinc/09/93/25/403099325.db2.gz VODYAGGUOPMOGG-UHFFFAOYSA-N 1 3 317.481 2.002 20 30 DEEDHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000290973627 404367579 /nfs/dbraw/zinc/36/75/79/404367579.db2.gz UGULULZOJKOIIC-PBHICJAKSA-N 1 3 312.417 2.085 20 30 DEEDHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000290973627 404367584 /nfs/dbraw/zinc/36/75/84/404367584.db2.gz UGULULZOJKOIIC-PBHICJAKSA-N 1 3 312.417 2.085 20 30 DEEDHO C=CCN(CC=C)C(=O)[C@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374172701 404700252 /nfs/dbraw/zinc/70/02/52/404700252.db2.gz GHWQJUNIRYBCPY-KRWDZBQOSA-N 1 3 319.493 2.383 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC[C@H](C[NH3+])C1)C(C)C ZINC000417059224 405022499 /nfs/dbraw/zinc/02/24/99/405022499.db2.gz HUQMNUHRBVFKOU-YESZJQIVSA-N 1 3 322.497 2.112 20 30 DEEDHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC000354100180 405043842 /nfs/dbraw/zinc/04/38/42/405043842.db2.gz KEMORMVHZBINSV-SFHVURJKSA-N 1 3 301.434 2.491 20 30 DEEDHO C=CCN1CCC(NC(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000565468788 406072552 /nfs/dbraw/zinc/07/25/52/406072552.db2.gz MEGRJIASULEBGV-UHFFFAOYSA-N 1 3 314.433 2.104 20 30 DEEDHO [NH2+]=C(NCC1(N2CCCC2)CCOCC1)Nc1ccccc1 ZINC000267460719 225358553 /nfs/dbraw/zinc/35/85/53/225358553.db2.gz UXFKALKQQNORRA-UHFFFAOYSA-N 1 3 302.422 2.058 20 30 DEEDHO C#CCN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001328265897 1148758990 /nfs/dbraw/zinc/75/89/90/1148758990.db2.gz FGELPTQUAYEKCY-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)C(C)C ZINC000653110488 425407486 /nfs/dbraw/zinc/40/74/86/425407486.db2.gz KGXNYFFMOLDUSM-KZNAEPCWSA-N 1 3 319.493 2.332 20 30 DEEDHO C=CC[C@@]1(C(=O)NCC(C)(C)N2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000662694703 425714067 /nfs/dbraw/zinc/71/40/67/425714067.db2.gz BGYOJQGKEYPIAY-YJBOKZPZSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])C(C)C ZINC000294027492 276891164 /nfs/dbraw/zinc/89/11/64/276891164.db2.gz HFABJPJUYCSELK-BBWFWOEESA-N 1 3 307.482 2.319 20 30 DEEDHO COc1ccc(NC(=[NH2+])NCC2(N(C)C)CCCC2)cc1OC ZINC000264153351 533988001 /nfs/dbraw/zinc/98/80/01/533988001.db2.gz ZWZKYOOLCYAXRE-UHFFFAOYSA-N 1 3 320.437 2.305 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1coc2ccccc12 ZINC000262382648 529101470 /nfs/dbraw/zinc/10/14/70/529101470.db2.gz KRDJAZQUJYJIFD-AWEZNQCLSA-N 1 3 300.406 2.321 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001023632930 625365039 /nfs/dbraw/zinc/36/50/39/625365039.db2.gz RXEXBWROXDAGKX-ROUUACIJSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001023632930 625365040 /nfs/dbraw/zinc/36/50/40/625365040.db2.gz RXEXBWROXDAGKX-ROUUACIJSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001026503431 625485990 /nfs/dbraw/zinc/48/59/90/625485990.db2.gz VAJFLWLZSIPFAN-OFLPRAFFSA-N 1 3 307.482 2.454 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001020675728 623057037 /nfs/dbraw/zinc/05/70/37/623057037.db2.gz COWGILAESLZFBS-RBSFLKMASA-N 1 3 313.873 2.239 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001020675728 623057043 /nfs/dbraw/zinc/05/70/43/623057043.db2.gz COWGILAESLZFBS-RBSFLKMASA-N 1 3 313.873 2.239 20 30 DEEDHO C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000970592706 623564047 /nfs/dbraw/zinc/56/40/47/623564047.db2.gz DJRRQLVDSXUAES-HNNXBMFYSA-N 1 3 315.461 2.374 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679936 623948455 /nfs/dbraw/zinc/94/84/55/623948455.db2.gz VCCIGISDDZKSSW-DOTOQJQBSA-N 1 3 316.449 2.231 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679936 623948462 /nfs/dbraw/zinc/94/84/62/623948462.db2.gz VCCIGISDDZKSSW-DOTOQJQBSA-N 1 3 316.449 2.231 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001022921716 625100075 /nfs/dbraw/zinc/10/00/75/625100075.db2.gz KXIYWZCZEMMGBY-GASCZTMLSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[C@@H]1C ZINC000947615270 625863682 /nfs/dbraw/zinc/86/36/82/625863682.db2.gz HBSWICWKWCJMDU-JKSUJKDBSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[C@@H]1C ZINC000947615270 625863686 /nfs/dbraw/zinc/86/36/86/625863686.db2.gz HBSWICWKWCJMDU-JKSUJKDBSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000999154308 634500856 /nfs/dbraw/zinc/50/08/56/634500856.db2.gz TWVMGGLRFYGKDH-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974650264 633208014 /nfs/dbraw/zinc/20/80/14/633208014.db2.gz IIDVWMLYYLKXBX-IAGOWNOFSA-N 1 3 321.509 2.367 20 30 DEEDHO C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974650264 633208018 /nfs/dbraw/zinc/20/80/18/633208018.db2.gz IIDVWMLYYLKXBX-IAGOWNOFSA-N 1 3 321.509 2.367 20 30 DEEDHO C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)CC1(C)C ZINC000996378068 633250452 /nfs/dbraw/zinc/25/04/52/633250452.db2.gz DFRKXCYJXMIYDW-CVEARBPZSA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974766930 633293920 /nfs/dbraw/zinc/29/39/20/633293920.db2.gz LGNMPHPMVAPYCJ-MRXNPFEDSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974766930 633293927 /nfs/dbraw/zinc/29/39/27/633293927.db2.gz LGNMPHPMVAPYCJ-MRXNPFEDSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CC[NH2+]C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000997367075 633717274 /nfs/dbraw/zinc/71/72/74/633717274.db2.gz JIWRPABALDNPDB-UHFFFAOYSA-N 1 3 301.434 2.128 20 30 DEEDHO C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000997786550 633975633 /nfs/dbraw/zinc/97/56/33/633975633.db2.gz LOHZFNHCJYGFQB-FUHWJXTLSA-N 1 3 319.493 2.099 20 30 DEEDHO C#CCN1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000997786550 633975639 /nfs/dbraw/zinc/97/56/39/633975639.db2.gz LOHZFNHCJYGFQB-FUHWJXTLSA-N 1 3 319.493 2.099 20 30 DEEDHO C#CCN1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000997786550 633975647 /nfs/dbraw/zinc/97/56/47/633975647.db2.gz LOHZFNHCJYGFQB-FUHWJXTLSA-N 1 3 319.493 2.099 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCN2C)CC1 ZINC000997951775 634074025 /nfs/dbraw/zinc/07/40/25/634074025.db2.gz ZSOCWYRHGONGPP-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCN2C)CC1 ZINC000997951775 634074030 /nfs/dbraw/zinc/07/40/30/634074030.db2.gz ZSOCWYRHGONGPP-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCN1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027886014 634873615 /nfs/dbraw/zinc/87/36/15/634873615.db2.gz MQKDOWWEURKZMB-WMZOPIPTSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCN1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027886014 634873624 /nfs/dbraw/zinc/87/36/24/634873624.db2.gz MQKDOWWEURKZMB-WMZOPIPTSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001027925538 634982068 /nfs/dbraw/zinc/98/20/68/634982068.db2.gz UBDKTIULJJVTDB-IRXDYDNUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001027925538 634982072 /nfs/dbraw/zinc/98/20/72/634982072.db2.gz UBDKTIULJJVTDB-IRXDYDNUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001000680348 635274667 /nfs/dbraw/zinc/27/46/67/635274667.db2.gz UVNDXMNJWCEXAB-KRWDZBQOSA-N 1 3 305.466 2.184 20 30 DEEDHO C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001000680348 635274672 /nfs/dbraw/zinc/27/46/72/635274672.db2.gz UVNDXMNJWCEXAB-KRWDZBQOSA-N 1 3 305.466 2.184 20 30 DEEDHO C=C(C)CCN1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000981543993 635516616 /nfs/dbraw/zinc/51/66/16/635516616.db2.gz QMKXVXYGSWJHBZ-UHFFFAOYSA-N 1 3 305.466 2.115 20 30 DEEDHO C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000981535888 635520540 /nfs/dbraw/zinc/52/05/40/635520540.db2.gz WSHQSIOHAYIGRS-MSOLQXFVSA-N 1 3 313.445 2.012 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC000982063438 635850930 /nfs/dbraw/zinc/85/09/30/635850930.db2.gz PVTULASCBLCLLF-DLBZAZTESA-N 1 3 317.477 2.114 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC000982063438 635850933 /nfs/dbraw/zinc/85/09/33/635850933.db2.gz PVTULASCBLCLLF-DLBZAZTESA-N 1 3 317.477 2.114 20 30 DEEDHO C=CCC[NH+]1CCC(NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001003736432 636042215 /nfs/dbraw/zinc/04/22/15/636042215.db2.gz RMWLDHFPTYJKJX-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001006283184 637322218 /nfs/dbraw/zinc/32/22/18/637322218.db2.gz JSDOYWVYOAMCKW-RDJZCZTQSA-N 1 3 307.482 2.216 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000901075656 642561520 /nfs/dbraw/zinc/56/15/20/642561520.db2.gz MNVMGVCFEZIFRR-GOSISDBHSA-N 1 3 315.461 2.227 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Cl)s1 ZINC000170905947 646674969 /nfs/dbraw/zinc/67/49/69/646674969.db2.gz PZVNMNGEHPXLJX-SNVBAGLBSA-N 1 3 300.859 2.290 20 30 DEEDHO C#CCN1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000948829233 646696017 /nfs/dbraw/zinc/69/60/17/646696017.db2.gz HHTMKRYVUXVZNB-QZTJIDSGSA-N 1 3 319.493 2.195 20 30 DEEDHO C#CCN1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829233 646696020 /nfs/dbraw/zinc/69/60/20/646696020.db2.gz HHTMKRYVUXVZNB-QZTJIDSGSA-N 1 3 319.493 2.195 20 30 DEEDHO N#CC1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000849025679 651587448 /nfs/dbraw/zinc/58/74/48/651587448.db2.gz AZAZUJJTLGFLJF-UHFFFAOYSA-N 1 3 311.433 2.069 20 30 DEEDHO C#CCC1(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCCCC1 ZINC000855346615 651679689 /nfs/dbraw/zinc/67/96/89/651679689.db2.gz GVISXTUTKXDJCN-KRWDZBQOSA-N 1 3 321.509 2.348 20 30 DEEDHO C#CCC1(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCCCC1 ZINC000855346615 651679691 /nfs/dbraw/zinc/67/96/91/651679691.db2.gz GVISXTUTKXDJCN-KRWDZBQOSA-N 1 3 321.509 2.348 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1cc2ccccc2o1 ZINC000304761764 685260047 /nfs/dbraw/zinc/26/00/47/685260047.db2.gz UVDFYMARFXRHQO-OAHLLOKOSA-N 1 3 314.433 2.364 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOc1cc(C)cc(C)c1 ZINC000303873843 685236770 /nfs/dbraw/zinc/23/67/70/685236770.db2.gz GXNAPLUWLFBWQD-MRXNPFEDSA-N 1 3 318.465 2.071 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOc1c(C)cccc1C ZINC000303894020 685238887 /nfs/dbraw/zinc/23/88/87/685238887.db2.gz SHWCCNKOJJWQDC-MRXNPFEDSA-N 1 3 318.465 2.071 20 30 DEEDHO C=C(C)CN1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001016322810 687591396 /nfs/dbraw/zinc/59/13/96/687591396.db2.gz LRRCFSQVRYWKFI-KRWDZBQOSA-N 1 3 301.434 2.128 20 30 DEEDHO C=C(C)CN1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001016332247 687595099 /nfs/dbraw/zinc/59/50/99/687595099.db2.gz DKGQDXRWORRMPW-MRXNPFEDSA-N 1 3 301.434 2.128 20 30 DEEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018176365 688071992 /nfs/dbraw/zinc/07/19/92/688071992.db2.gz HVYJAHMYICZMRI-XLAORIBOSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001033466014 689511317 /nfs/dbraw/zinc/51/13/17/689511317.db2.gz BNUVRYXPRKKONL-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001033466014 689511321 /nfs/dbraw/zinc/51/13/21/689511321.db2.gz BNUVRYXPRKKONL-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033684355 689583127 /nfs/dbraw/zinc/58/31/27/689583127.db2.gz NMWAIVQETNHUNA-GOSISDBHSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033684355 689583131 /nfs/dbraw/zinc/58/31/31/689583131.db2.gz NMWAIVQETNHUNA-GOSISDBHSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CCC[N@H+]1CCCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001034339436 689814373 /nfs/dbraw/zinc/81/43/73/689814373.db2.gz FRSJCFBFJGNWPW-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001034339436 689814377 /nfs/dbraw/zinc/81/43/77/689814377.db2.gz FRSJCFBFJGNWPW-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035194261 690056336 /nfs/dbraw/zinc/05/63/36/690056336.db2.gz XYAOPHSCSBHVMD-QGZVFWFLSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035194261 690056339 /nfs/dbraw/zinc/05/63/39/690056339.db2.gz XYAOPHSCSBHVMD-QGZVFWFLSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCN(CC=C)C(=O)[C@@H](C)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879247448 690602555 /nfs/dbraw/zinc/60/25/55/690602555.db2.gz APJJKGSFZHAIDN-QGZVFWFLSA-N 1 3 319.493 2.383 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001039159426 691035483 /nfs/dbraw/zinc/03/54/83/691035483.db2.gz NGYKCYSGTBCILK-MSOLQXFVSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001039159426 691035485 /nfs/dbraw/zinc/03/54/85/691035485.db2.gz NGYKCYSGTBCILK-MSOLQXFVSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039239000 691064934 /nfs/dbraw/zinc/06/49/34/691064934.db2.gz PXOQPKQYGPHWAN-NVXWUHKLSA-N 1 3 316.449 2.231 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039239000 691064937 /nfs/dbraw/zinc/06/49/37/691064937.db2.gz PXOQPKQYGPHWAN-NVXWUHKLSA-N 1 3 316.449 2.231 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040394151 691241446 /nfs/dbraw/zinc/24/14/46/691241446.db2.gz IQYBGZBJDPZCER-IEBWSBKVSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040394151 691241449 /nfs/dbraw/zinc/24/14/49/691241449.db2.gz IQYBGZBJDPZCER-IEBWSBKVSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040396975 691242579 /nfs/dbraw/zinc/24/25/79/691242579.db2.gz XLMSIGXEFNGWEQ-IEBWSBKVSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040396975 691242582 /nfs/dbraw/zinc/24/25/82/691242582.db2.gz XLMSIGXEFNGWEQ-IEBWSBKVSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001040730449 691282750 /nfs/dbraw/zinc/28/27/50/691282750.db2.gz UUFZYNQAFPUYHU-KRWDZBQOSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045964913 692064667 /nfs/dbraw/zinc/06/46/67/692064667.db2.gz AATIADUROXHAKG-MJGOQNOKSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045964913 692064671 /nfs/dbraw/zinc/06/46/71/692064671.db2.gz AATIADUROXHAKG-MJGOQNOKSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045966271 692064769 /nfs/dbraw/zinc/06/47/69/692064769.db2.gz SMKHZXBJXOTLKB-PKOBYXMFSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045966271 692064772 /nfs/dbraw/zinc/06/47/72/692064772.db2.gz SMKHZXBJXOTLKB-PKOBYXMFSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049566931 692923620 /nfs/dbraw/zinc/92/36/20/692923620.db2.gz HFBNGPJGLFLYLH-DLBZAZTESA-N 1 3 317.477 2.256 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053043273 693676400 /nfs/dbraw/zinc/67/64/00/693676400.db2.gz GLWNBTCNLCBNDA-JKSUJKDBSA-N 1 3 316.449 2.089 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053043273 693676402 /nfs/dbraw/zinc/67/64/02/693676402.db2.gz GLWNBTCNLCBNDA-JKSUJKDBSA-N 1 3 316.449 2.089 20 30 DEEDHO C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]21 ZINC001332143604 1149825178 /nfs/dbraw/zinc/82/51/78/1149825178.db2.gz BOGXPGOBWNLGNY-BRWVUGGUSA-N 1 3 321.509 2.367 20 30 DEEDHO C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001392197061 1156888406 /nfs/dbraw/zinc/88/84/06/1156888406.db2.gz VDZGLTXMCWDRLP-HUUCEWRRSA-N 1 3 315.889 2.297 20 30 DEEDHO C=C(Cl)CN[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC001374433314 1157854379 /nfs/dbraw/zinc/85/43/79/1157854379.db2.gz CHAZOEJCUHJKES-ZIAGYGMSSA-N 1 3 303.878 2.056 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001394376316 1158446060 /nfs/dbraw/zinc/44/60/60/1158446060.db2.gz SFUMHQOYYJYJMV-HDJSIYSDSA-N 1 3 315.889 2.201 20 30 DEEDHO C=C(Cl)CNCC1(NC(=O)C2(C[NH+](C)C)CC2)CCCC1 ZINC001438398824 1180392541 /nfs/dbraw/zinc/39/25/41/1180392541.db2.gz CCWHWXXXSMRLQV-UHFFFAOYSA-N 1 3 313.873 2.099 20 30 DEEDHO C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@H](CC)N(C)C)CC1 ZINC001440856070 1181731344 /nfs/dbraw/zinc/73/13/44/1181731344.db2.gz ASHGFEZIHFNFMF-NRXISQOPSA-N 1 3 315.889 2.438 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106635310 782823752 /nfs/dbraw/zinc/82/37/52/782823752.db2.gz XJVZOCKMJUHNOY-BPLDGKMQSA-N 1 3 315.889 2.009 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001136800137 790469737 /nfs/dbraw/zinc/46/97/37/790469737.db2.gz NGZTUGSLVBDXOP-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO C#CCC[NH2+]CC1(CCNC(=O)CN(C)CCCCCC)CC1 ZINC001167471088 777121496 /nfs/dbraw/zinc/12/14/96/777121496.db2.gz SVFKWAGVJLSRAO-UHFFFAOYSA-N 1 3 321.509 2.398 20 30 DEEDHO C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001104690337 778025465 /nfs/dbraw/zinc/02/54/65/778025465.db2.gz FEFQJUMBOHTCHG-ZACQAIPSSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001112529513 778606808 /nfs/dbraw/zinc/60/68/08/778606808.db2.gz CSKLLODKRXNKCR-AOIWGVFYSA-N 1 3 319.493 2.123 20 30 DEEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CCCCCC ZINC001114982038 778673653 /nfs/dbraw/zinc/67/36/53/778673653.db2.gz GZYULEVKDNWKGL-VQFNDLOPSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CCCCCC ZINC001114982038 778673657 /nfs/dbraw/zinc/67/36/57/778673657.db2.gz GZYULEVKDNWKGL-VQFNDLOPSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088002450 779626622 /nfs/dbraw/zinc/62/66/22/779626622.db2.gz FZZKQGWICOVFQE-SQNIBIBYSA-N 1 3 321.509 2.319 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088002450 779626628 /nfs/dbraw/zinc/62/66/28/779626628.db2.gz FZZKQGWICOVFQE-SQNIBIBYSA-N 1 3 321.509 2.319 20 30 DEEDHO C=C(C)CN1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088621346 780659637 /nfs/dbraw/zinc/65/96/37/780659637.db2.gz ADIDSLUJYRFRFJ-ZACQAIPSSA-N 1 3 307.482 2.404 20 30 DEEDHO C=C(C)CN1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088621346 780659641 /nfs/dbraw/zinc/65/96/41/780659641.db2.gz ADIDSLUJYRFRFJ-ZACQAIPSSA-N 1 3 307.482 2.404 20 30 DEEDHO C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)CCC1 ZINC001105566827 780765770 /nfs/dbraw/zinc/76/57/70/780765770.db2.gz WXMNDUDPHODRCS-INIZCTEOSA-N 1 3 316.449 2.279 20 30 DEEDHO C=C(Cl)CNC1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001091026540 790838292 /nfs/dbraw/zinc/83/82/92/790838292.db2.gz PMUZJRBHZPVJQY-YMAMQOFZSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(Cl)CNC1CC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001091026540 790838306 /nfs/dbraw/zinc/83/83/06/790838306.db2.gz PMUZJRBHZPVJQY-YMAMQOFZSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)[C@H]1C ZINC001088770328 780970398 /nfs/dbraw/zinc/97/03/98/780970398.db2.gz IZVRIWDDVCVRKY-NJAFHUGGSA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)[C@H]1C ZINC001088770328 780970400 /nfs/dbraw/zinc/97/04/00/780970400.db2.gz IZVRIWDDVCVRKY-NJAFHUGGSA-N 1 3 319.493 2.406 20 30 DEEDHO C=CCCN1CC[C@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917774 784212784 /nfs/dbraw/zinc/21/27/84/784212784.db2.gz KGMMVHLGMPEYCB-SFHVURJKSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001086381736 784634288 /nfs/dbraw/zinc/63/42/88/784634288.db2.gz GNZSADUMJSMAIX-RBSFLKMASA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001086381736 784634299 /nfs/dbraw/zinc/63/42/99/784634299.db2.gz GNZSADUMJSMAIX-RBSFLKMASA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171237520 791087269 /nfs/dbraw/zinc/08/72/69/791087269.db2.gz QOMUATMQDJHOIE-AWEZNQCLSA-N 1 3 315.889 2.488 20 30 DEEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001109428253 785869927 /nfs/dbraw/zinc/86/99/27/785869927.db2.gz WAJXZUMHMMONHK-QZWWFDLISA-N 1 3 307.482 2.260 20 30 DEEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001109428253 785869936 /nfs/dbraw/zinc/86/99/36/785869936.db2.gz WAJXZUMHMMONHK-QZWWFDLISA-N 1 3 307.482 2.260 20 30 DEEDHO C=CC[NH2+][C@H]1C[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001086557310 786216621 /nfs/dbraw/zinc/21/66/21/786216621.db2.gz IUAUUYZERNEPEG-JCNLHEQBSA-N 1 3 301.434 2.032 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CC[C@@H]1C ZINC001133176992 788306894 /nfs/dbraw/zinc/30/68/94/788306894.db2.gz BTMPPEHHSZNKOV-IRXDYDNUSA-N 1 3 309.498 2.369 20 30 DEEDHO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369907 788900569 /nfs/dbraw/zinc/90/05/69/788900569.db2.gz USLJCTUUHJXSNB-HOTGVXAUSA-N 1 3 307.482 2.147 20 30 DEEDHO C#CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001170769684 789064204 /nfs/dbraw/zinc/06/42/04/789064204.db2.gz MASJEQBQGZZGME-INIZCTEOSA-N 1 3 307.482 2.149 20 30 DEEDHO C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135467475 789356668 /nfs/dbraw/zinc/35/66/68/789356668.db2.gz GKKPIKUXURTJGQ-ZIAGYGMSSA-N 1 3 315.889 2.344 20 30 DEEDHO C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001086819992 789643228 /nfs/dbraw/zinc/64/32/28/789643228.db2.gz KVASLPCTOQMSPA-BBWFWOEESA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCC[N@H+]1CCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001072735430 790233192 /nfs/dbraw/zinc/23/31/92/790233192.db2.gz BILQGSRBRPMHBH-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001072735430 790233197 /nfs/dbraw/zinc/23/31/97/790233197.db2.gz BILQGSRBRPMHBH-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146625546 791325363 /nfs/dbraw/zinc/32/53/63/791325363.db2.gz YUOWATLDQQVWKM-CABCVRRESA-N 1 3 303.450 2.421 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147725724 791607738 /nfs/dbraw/zinc/60/77/38/791607738.db2.gz YZFQKLOYLHTSPT-DOTOQJQBSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147725724 791607747 /nfs/dbraw/zinc/60/77/47/791607747.db2.gz YZFQKLOYLHTSPT-DOTOQJQBSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001098873286 791971296 /nfs/dbraw/zinc/97/12/96/791971296.db2.gz LSRJVBCWHBNUMK-AOIWGVFYSA-N 1 3 319.493 2.121 20 30 DEEDHO C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001098873286 791971303 /nfs/dbraw/zinc/97/13/03/791971303.db2.gz LSRJVBCWHBNUMK-AOIWGVFYSA-N 1 3 319.493 2.121 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)[C@H](C)C1 ZINC001092602982 792080989 /nfs/dbraw/zinc/08/09/89/792080989.db2.gz PNSKMOOWWMPCLD-ZACQAIPSSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)[C@H](C)C1 ZINC001092602982 792080999 /nfs/dbraw/zinc/08/09/99/792080999.db2.gz PNSKMOOWWMPCLD-ZACQAIPSSA-N 1 3 307.482 2.119 20 30 DEEDHO C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001100848476 792881264 /nfs/dbraw/zinc/88/12/64/792881264.db2.gz OPSQMVOEZLKIRV-ABHNRTSZSA-N 1 3 319.493 2.149 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@H]2C)C1 ZINC001103433420 794090034 /nfs/dbraw/zinc/09/00/34/794090034.db2.gz FIMXSIOUVAVLHP-BRWVUGGUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@H]2C)C1 ZINC001103433420 794090044 /nfs/dbraw/zinc/09/00/44/794090044.db2.gz FIMXSIOUVAVLHP-BRWVUGGUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@@H]2C)C1 ZINC001103435183 794092454 /nfs/dbraw/zinc/09/24/54/794092454.db2.gz UHGXODSCCCOVQK-IXDOHACOSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@@H]2C)C1 ZINC001103435183 794092470 /nfs/dbraw/zinc/09/24/70/794092470.db2.gz UHGXODSCCCOVQK-IXDOHACOSA-N 1 3 307.482 2.121 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)CCCC[NH2+]C(C)C)CC1 ZINC001176737969 794483972 /nfs/dbraw/zinc/48/39/72/794483972.db2.gz ODWJNYQRDSVBLJ-MRXNPFEDSA-N 1 3 307.482 2.005 20 30 DEEDHO C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCN1C ZINC001178045040 794803931 /nfs/dbraw/zinc/80/39/31/794803931.db2.gz AYSUTLBDZJWJLA-AWEZNQCLSA-N 1 3 301.862 2.099 20 30 DEEDHO C=CCC[NH2+]C1CC2(CC(NC(=O)C(C)(C)N(C)CC)C2)C1 ZINC001121318543 795616438 /nfs/dbraw/zinc/61/64/38/795616438.db2.gz KKECUGAOGBSWJV-UHFFFAOYSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193028982 797492065 /nfs/dbraw/zinc/49/20/65/797492065.db2.gz WVIKVLBTJXQMLU-KRWDZBQOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193028982 797492067 /nfs/dbraw/zinc/49/20/67/797492067.db2.gz WVIKVLBTJXQMLU-KRWDZBQOSA-N 1 3 307.482 2.217 20 30 DEEDHO CC#CCN(CC)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154463990 797539254 /nfs/dbraw/zinc/53/92/54/797539254.db2.gz APGALVORCDCLMD-MRXNPFEDSA-N 1 3 307.482 2.101 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CCCCC)CC1 ZINC001157091816 798142439 /nfs/dbraw/zinc/14/24/39/798142439.db2.gz CVPPDPMUBQXKKU-QGZVFWFLSA-N 1 3 321.509 2.348 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CCCCC)CC1 ZINC001157091816 798142443 /nfs/dbraw/zinc/14/24/43/798142443.db2.gz CVPPDPMUBQXKKU-QGZVFWFLSA-N 1 3 321.509 2.348 20 30 DEEDHO N#Cc1cc(NC(=N)NCCCC[NH3+])nc2ccc(Cl)cc12 ZINC001157101929 798143908 /nfs/dbraw/zinc/14/39/08/798143908.db2.gz PNYWGVWPEWJERB-UHFFFAOYSA-N 1 3 316.796 2.435 20 30 DEEDHO C=CCCN1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197477555 798193214 /nfs/dbraw/zinc/19/32/14/798193214.db2.gz JTWHOAFBCOKCPR-QGZVFWFLSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCN1CC=C(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161699555 798915131 /nfs/dbraw/zinc/91/51/31/798915131.db2.gz UGNIEHAAOGOFFJ-ZWKOTPCHSA-N 1 3 319.493 2.431 20 30 DEEDHO CC#CCN1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001161952658 798977361 /nfs/dbraw/zinc/97/73/61/798977361.db2.gz HXPQMQUCPZSKTQ-SFHVURJKSA-N 1 3 317.477 2.023 20 30 DEEDHO CC#CCN1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001161952658 798977364 /nfs/dbraw/zinc/97/73/64/798977364.db2.gz HXPQMQUCPZSKTQ-SFHVURJKSA-N 1 3 317.477 2.023 20 30 DEEDHO C=C(C)CC[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001205457897 800359619 /nfs/dbraw/zinc/35/96/19/800359619.db2.gz VHNSFRWTMNZVSB-UHFFFAOYSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001206170007 800484056 /nfs/dbraw/zinc/48/40/56/800484056.db2.gz WSDLPSZTJWGHLM-QGZVFWFLSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001207859134 800850231 /nfs/dbraw/zinc/85/02/31/800850231.db2.gz JLBRBJRBJINRNB-BRWVUGGUSA-N 1 3 319.493 2.406 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001207859134 800850240 /nfs/dbraw/zinc/85/02/40/800850240.db2.gz JLBRBJRBJINRNB-BRWVUGGUSA-N 1 3 319.493 2.406 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001208113881 800915656 /nfs/dbraw/zinc/91/56/56/800915656.db2.gz JSXOPSGWJJBFHN-NXHRZFHOSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001208113881 800915663 /nfs/dbraw/zinc/91/56/63/800915663.db2.gz JSXOPSGWJJBFHN-NXHRZFHOSA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209660285 801248722 /nfs/dbraw/zinc/24/87/22/801248722.db2.gz PFPOCBHMISFZCE-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001230618403 801437845 /nfs/dbraw/zinc/43/78/45/801437845.db2.gz MMDDBBIYZXLFBS-SFHVURJKSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001230618403 801437849 /nfs/dbraw/zinc/43/78/49/801437849.db2.gz MMDDBBIYZXLFBS-SFHVURJKSA-N 1 3 319.493 2.055 20 30 DEEDHO CCCCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001215684902 801894185 /nfs/dbraw/zinc/89/41/85/801894185.db2.gz ICDGBBRHFCRJLJ-GDBMZVCRSA-N 1 3 306.454 2.359 20 30 DEEDHO C#Cc1ccc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)cc1F ZINC001219383710 802320342 /nfs/dbraw/zinc/32/03/42/802320342.db2.gz AIODPALPHLHBDM-INIZCTEOSA-N 1 3 305.397 2.241 20 30 DEEDHO C=C(C)COc1ccccc1CN1CCNC2(CC[NH2+]CC2)C1 ZINC001222091322 802641614 /nfs/dbraw/zinc/64/16/14/802641614.db2.gz QJNDMUVVRRCAML-UHFFFAOYSA-N 1 3 315.461 2.169 20 30 DEEDHO C=CCC[NH+]1CCC(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001225541438 802979349 /nfs/dbraw/zinc/97/93/49/802979349.db2.gz CJPWZECBDBDDGQ-IYBDPMFKSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[C@H](C)[NH+]1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001227807002 803283084 /nfs/dbraw/zinc/28/30/84/803283084.db2.gz KBXXBOIMQHIIAO-HNNXBMFYSA-N 1 3 307.482 2.406 20 30 DEEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)C1 ZINC001328101989 1148722500 /nfs/dbraw/zinc/72/25/00/1148722500.db2.gz JUKYAGOLHWWNKR-MRXNPFEDSA-N 1 3 321.509 2.204 20 30 DEEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)C1 ZINC001328101989 1148722511 /nfs/dbraw/zinc/72/25/11/1148722511.db2.gz JUKYAGOLHWWNKR-MRXNPFEDSA-N 1 3 321.509 2.204 20 30 DEEDHO C=CCCC[C@H](N)C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC001343665766 1150761299 /nfs/dbraw/zinc/76/12/99/1150761299.db2.gz NZQUSCSPUPALLS-LBPRGKRZSA-N 1 3 308.451 2.232 20 30 DEEDHO C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001368335774 1148417181 /nfs/dbraw/zinc/41/71/81/1148417181.db2.gz JDLQDSKBMYKAQT-ZIAGYGMSSA-N 1 3 313.873 2.050 20 30 DEEDHO 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ZINC001114832038 1088920560 /nfs/dbraw/zinc/92/05/60/1088920560.db2.gz KNXVXFPECLSOJU-IMBTUZDBSA-N 1 3 319.493 2.264 20 30 DEEDHO CC#CCN1CCC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948833189 1091962113 /nfs/dbraw/zinc/96/21/13/1091962113.db2.gz LSOYAFHCVIPALK-GOSISDBHSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC000948886425 1091981030 /nfs/dbraw/zinc/98/10/30/1091981030.db2.gz NXVVTVBDJRRYTH-GOSISDBHSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC000948886425 1091981032 /nfs/dbraw/zinc/98/10/32/1091981032.db2.gz NXVVTVBDJRRYTH-GOSISDBHSA-N 1 3 319.493 2.055 20 30 DEEDHO CCCCCCCNC(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239216271 1138991616 /nfs/dbraw/zinc/99/16/16/1138991616.db2.gz NNXHRXMCFMQMKF-HNNXBMFYSA-N 1 3 310.486 2.130 20 30 DEEDHO C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001316661050 1139834853 /nfs/dbraw/zinc/83/48/53/1139834853.db2.gz ZEKWZTKXUHKHME-YESZJQIVSA-N 1 3 307.482 2.169 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001281974664 1139835112 /nfs/dbraw/zinc/83/51/12/1139835112.db2.gz GKJPHYYOIJTEOG-ROUUACIJSA-N 1 3 321.509 2.465 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001281974664 1139835115 /nfs/dbraw/zinc/83/51/15/1139835115.db2.gz GKJPHYYOIJTEOG-ROUUACIJSA-N 1 3 321.509 2.465 20 30 DEEDHO CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001316661890 1139850138 /nfs/dbraw/zinc/85/01/38/1139850138.db2.gz BZVLSDGOSYZVGH-KSZLIROESA-N 1 3 319.493 2.147 20 30 DEEDHO C#CC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CCCCC1 ZINC001319658797 1140644995 /nfs/dbraw/zinc/64/49/95/1140644995.db2.gz BADWTOJVUFVLLP-KRWDZBQOSA-N 1 3 319.493 2.149 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001321652276 1141322112 /nfs/dbraw/zinc/32/21/12/1141322112.db2.gz GKMYCUWHIGJBIV-PBHICJAKSA-N 1 3 313.461 2.259 20 30 DEEDHO C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC001323659637 1141874969 /nfs/dbraw/zinc/87/49/69/1141874969.db2.gz DEFDGVYMKBTXQJ-ZXFUBFMLSA-N 1 3 316.449 2.420 20 30 DEEDHO C=C[C@](C)(O)C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001252559300 1142766368 /nfs/dbraw/zinc/76/63/68/1142766368.db2.gz VFBMYSSRKGEMQX-QRVBRYPASA-N 1 3 300.446 2.377 20 30 DEEDHO C=C[C@](C)(O)C[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001252559300 1142766375 /nfs/dbraw/zinc/76/63/75/1142766375.db2.gz VFBMYSSRKGEMQX-QRVBRYPASA-N 1 3 300.446 2.377 20 30 DEEDHO C=C[C@](C)(O)CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001252559300 1142766382 /nfs/dbraw/zinc/76/63/82/1142766382.db2.gz VFBMYSSRKGEMQX-QRVBRYPASA-N 1 3 300.446 2.377 20 30 DEEDHO C=C[C@](C)(O)CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001252559300 1142766388 /nfs/dbraw/zinc/76/63/88/1142766388.db2.gz VFBMYSSRKGEMQX-QRVBRYPASA-N 1 3 300.446 2.377 20 30 DEEDHO C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001341731501 1143687132 /nfs/dbraw/zinc/68/71/32/1143687132.db2.gz BVSVBUHUBWNTQR-SZMVWBNQSA-N 1 3 315.461 2.307 20 30 DEEDHO C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001263900711 1144421585 /nfs/dbraw/zinc/42/15/85/1144421585.db2.gz QWCMTANGPCFNQB-GVDBMIGSSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@@H]2C1 ZINC001264096510 1144462329 /nfs/dbraw/zinc/46/23/29/1144462329.db2.gz MKTBTMRGRJWUKW-KSZLIROESA-N 1 3 319.493 2.075 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@@H]2C1 ZINC001264096510 1144462336 /nfs/dbraw/zinc/46/23/36/1144462336.db2.gz MKTBTMRGRJWUKW-KSZLIROESA-N 1 3 319.493 2.075 20 30 DEEDHO C=CCC[NH+]1CCC(C2(NC(=O)CN(C)CCC)CC2)CC1 ZINC001279367989 1144821385 /nfs/dbraw/zinc/82/13/85/1144821385.db2.gz DDYTZCVDVYJHTL-UHFFFAOYSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001282959591 1145214377 /nfs/dbraw/zinc/21/43/77/1145214377.db2.gz VOFTVHOBWCIRJD-YESZJQIVSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001282959591 1145214384 /nfs/dbraw/zinc/21/43/84/1145214384.db2.gz VOFTVHOBWCIRJD-YESZJQIVSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001284686073 1145890345 /nfs/dbraw/zinc/89/03/45/1145890345.db2.gz GRWPJUQHSAATGH-WBVHZDCISA-N 1 3 309.498 2.365 20 30 DEEDHO C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001317852829 1147757818 /nfs/dbraw/zinc/75/78/18/1147757818.db2.gz INRAPQLFXRALPG-IAGOWNOFSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001317852829 1147757820 /nfs/dbraw/zinc/75/78/20/1147757820.db2.gz INRAPQLFXRALPG-IAGOWNOFSA-N 1 3 307.482 2.075 20 30 DEEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+]1CCCC1 ZINC001318233196 1147802223 /nfs/dbraw/zinc/80/22/23/1147802223.db2.gz SJMUCGWZESKBRF-IRXDYDNUSA-N 1 3 305.466 2.114 20 30 DEEDHO C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001324655929 1147826652 /nfs/dbraw/zinc/82/66/52/1147826652.db2.gz JVZYJVBBJQVKNG-FUHWJXTLSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001324655929 1147826656 /nfs/dbraw/zinc/82/66/56/1147826656.db2.gz JVZYJVBBJQVKNG-FUHWJXTLSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)[C@@H](C)C1 ZINC001368101041 1148226354 /nfs/dbraw/zinc/22/63/54/1148226354.db2.gz DVXFVDOUPODUPZ-UONOGXRCSA-N 1 3 301.862 2.050 20 30 DEEDHO C=C(CC)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000579247627 356946422 /nfs/dbraw/zinc/94/64/22/356946422.db2.gz UWFDDIXMUMAGLE-UHFFFAOYSA-N 1 3 307.482 2.265 20 30 DEEDHO N#CCN1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000610812914 361471315 /nfs/dbraw/zinc/47/13/15/361471315.db2.gz PBUZFJHRMYUGHO-UHFFFAOYSA-N 1 3 304.482 2.361 20 30 DEEDHO N#CCN1CCC(NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000610812914 361471319 /nfs/dbraw/zinc/47/13/19/361471319.db2.gz PBUZFJHRMYUGHO-UHFFFAOYSA-N 1 3 304.482 2.361 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000106331676 194197996 /nfs/dbraw/zinc/19/79/96/194197996.db2.gz PWKCHUOJTZUVMT-INIZCTEOSA-N 1 3 322.497 2.201 20 30 DEEDHO C=CCN(CC=C)C(=O)[C@H](C)N1CCC(CC[NH+](C)C)CC1 ZINC000056523168 184015172 /nfs/dbraw/zinc/01/51/72/184015172.db2.gz HGTYJRJDVCOYNF-INIZCTEOSA-N 1 3 307.482 2.239 20 30 DEEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000289384994 285281669 /nfs/dbraw/zinc/28/16/69/285281669.db2.gz CZUICOKHMSCZEO-IBGZPJMESA-N 1 3 314.477 2.406 20 30 DEEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000289384994 285281671 /nfs/dbraw/zinc/28/16/71/285281671.db2.gz CZUICOKHMSCZEO-IBGZPJMESA-N 1 3 314.477 2.406 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2CC)CC1 ZINC000111495929 401717076 /nfs/dbraw/zinc/71/70/76/401717076.db2.gz YIDXNIRKKKIGNR-QGZVFWFLSA-N 1 3 322.497 2.201 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000111495929 401717078 /nfs/dbraw/zinc/71/70/78/401717078.db2.gz YIDXNIRKKKIGNR-QGZVFWFLSA-N 1 3 322.497 2.201 20 30 DEEDHO CCN1CCN(CCCC[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000119642529 401962193 /nfs/dbraw/zinc/96/21/93/401962193.db2.gz VJPBEEOHBIHFFV-UHFFFAOYSA-N 1 3 300.450 2.066 20 30 DEEDHO CC[N@@H+]1CC[C@@H](CNCc2ccc(N(C)CCC#N)cc2)C1 ZINC000097465628 402125639 /nfs/dbraw/zinc/12/56/39/402125639.db2.gz IXFWIFKKFVLSSK-KRWDZBQOSA-N 1 3 300.450 2.468 20 30 DEEDHO CC[N@H+]1CC[C@@H](CNCc2ccc(N(C)CCC#N)cc2)C1 ZINC000097465628 402125642 /nfs/dbraw/zinc/12/56/42/402125642.db2.gz IXFWIFKKFVLSSK-KRWDZBQOSA-N 1 3 300.450 2.468 20 30 DEEDHO CCN1CC[C@@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000097465628 402125644 /nfs/dbraw/zinc/12/56/44/402125644.db2.gz IXFWIFKKFVLSSK-KRWDZBQOSA-N 1 3 300.450 2.468 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)c(Cl)c1 ZINC000153393337 402142263 /nfs/dbraw/zinc/14/22/63/402142263.db2.gz GTRIQELOUUHRJN-CYBMUJFWSA-N 1 3 324.856 2.237 20 30 DEEDHO CN(C)C(=[NH+]C[C@H]1CCCN(Cc2cccs2)C1)N(C)C ZINC000104180782 402199669 /nfs/dbraw/zinc/19/96/69/402199669.db2.gz RLWQHPYEYAXVLD-CQSZACIVSA-N 1 3 308.495 2.439 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)C1(C[NH3+])CCCC1)C(C)C ZINC000236677870 402373116 /nfs/dbraw/zinc/37/31/16/402373116.db2.gz OKTYRNBWPILTNW-MRXNPFEDSA-N 1 3 307.482 2.320 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@]1(C)CCC[NH2+]C1)C(C)C ZINC000236689443 402374665 /nfs/dbraw/zinc/37/46/65/402374665.db2.gz ZJCWNDAESHKONM-SJLPKXTDSA-N 1 3 307.482 2.191 20 30 DEEDHO CC1CCN(C(=[NH2+])NCC2CCN(c3ccncc3)CC2)CC1 ZINC000179712551 402599004 /nfs/dbraw/zinc/59/90/04/402599004.db2.gz KNNWWOPMNRCQHC-UHFFFAOYSA-N 1 3 315.465 2.345 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000262334892 402724595 /nfs/dbraw/zinc/72/45/95/402724595.db2.gz ZANUKXNTOANBPX-YESZJQIVSA-N 1 3 307.482 2.319 20 30 DEEDHO CC[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(C#N)cc1 ZINC000278352995 402863814 /nfs/dbraw/zinc/86/38/14/402863814.db2.gz ZIGIJSFUFFKLML-SFHVURJKSA-N 1 3 301.434 2.446 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc2[nH]ccc2c1 ZINC000281818709 403095020 /nfs/dbraw/zinc/09/50/20/403095020.db2.gz QWQGIIDVVWSLRU-INIZCTEOSA-N 1 3 313.449 2.099 20 30 DEEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCN(C)CC1)C(C)C ZINC000298654602 403433597 /nfs/dbraw/zinc/43/35/97/403433597.db2.gz GFMXTGZTRUZQIP-QGZVFWFLSA-N 1 3 322.497 2.032 20 30 DEEDHO CN(CCCN(C)Cc1cc(C#N)ccc1F)CC[NH+](C)C ZINC000288779899 403767221 /nfs/dbraw/zinc/76/72/21/403767221.db2.gz BPMLLSYHTBRLDH-UHFFFAOYSA-N 1 3 306.429 2.013 20 30 DEEDHO C=CCN1CCC(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)CC1 ZINC000355932917 404378538 /nfs/dbraw/zinc/37/85/38/404378538.db2.gz DRRMMNQHYXCQCI-UHFFFAOYSA-N 1 3 324.513 2.397 20 30 DEEDHO N#CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000424129988 405016818 /nfs/dbraw/zinc/01/68/18/405016818.db2.gz DUVORUMPKNOXNH-KBPBESRZSA-N 1 3 320.462 2.022 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)C(C)C ZINC000417059166 405022124 /nfs/dbraw/zinc/02/21/24/405022124.db2.gz HLXVGOXVROZKBO-WMZOPIPTSA-N 1 3 322.497 2.065 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)C(C)C ZINC000423330758 405763931 /nfs/dbraw/zinc/76/39/31/405763931.db2.gz GEWQWUKYSQYXRZ-IXDOHACOSA-N 1 3 307.482 2.189 20 30 DEEDHO C=CC[C@]1(C(=O)NCc2cccc(CN(C)C)c2)CCC[NH2+]1 ZINC000662674294 425709324 /nfs/dbraw/zinc/70/93/24/425709324.db2.gz ZTNMMWGHIZKNAL-GOSISDBHSA-N 1 3 301.434 2.063 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCCC[C@@H]1C[NH3+])C(C)C ZINC000417061749 276891398 /nfs/dbraw/zinc/89/13/98/276891398.db2.gz LETMOPGISFWKNZ-IAGOWNOFSA-N 1 3 322.497 2.208 20 30 DEEDHO CC(C)N1CCN(C2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC000339057960 277609340 /nfs/dbraw/zinc/60/93/40/277609340.db2.gz JSKMHFFUGHIUGQ-SJLPKXTDSA-N 1 3 304.482 2.169 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)C(C)C ZINC000417059163 277850902 /nfs/dbraw/zinc/85/09/02/277850902.db2.gz HLXVGOXVROZKBO-AEFFLSMTSA-N 1 3 322.497 2.065 20 30 DEEDHO CC[NH+]=C(NC[C@@H]1CCCCO1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262459907 278167498 /nfs/dbraw/zinc/16/74/98/278167498.db2.gz MDHFXSOEJMAFSS-SJORKVTESA-N 1 3 322.497 2.081 20 30 DEEDHO COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000304811489 293017681 /nfs/dbraw/zinc/01/76/81/293017681.db2.gz XGBUKWKKURDHEK-YDHLFZDLSA-N 1 3 324.494 2.070 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]1C[NH2+]C)C(C)C ZINC000417063855 500577152 /nfs/dbraw/zinc/57/71/52/500577152.db2.gz NWVGEJGFBZDHQV-DLBZAZTESA-N 1 3 322.497 2.078 20 30 DEEDHO C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C[NH+]1CCCC1 ZINC000279617407 534018738 /nfs/dbraw/zinc/01/87/38/534018738.db2.gz UMCPZHDMVIEOQF-YJBOKZPZSA-N 1 3 324.428 2.089 20 30 DEEDHO C=CCN1CCC(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000247777483 526436472 /nfs/dbraw/zinc/43/64/72/526436472.db2.gz RASMFLQOEFRPFQ-CVEARBPZSA-N 1 3 322.497 2.056 20 30 DEEDHO C=CCN1CCC(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000247777483 526436477 /nfs/dbraw/zinc/43/64/77/526436477.db2.gz RASMFLQOEFRPFQ-CVEARBPZSA-N 1 3 322.497 2.056 20 30 DEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970529844 623523755 /nfs/dbraw/zinc/52/37/55/623523755.db2.gz TYUQJLXHPBOUAU-NVXWUHKLSA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000970529844 623523757 /nfs/dbraw/zinc/52/37/57/623523757.db2.gz TYUQJLXHPBOUAU-NVXWUHKLSA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001023402662 625254836 /nfs/dbraw/zinc/25/48/36/625254836.db2.gz QKUAZRXWHVUIGN-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001023402662 625254857 /nfs/dbraw/zinc/25/48/57/625254857.db2.gz QKUAZRXWHVUIGN-DLBZAZTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(Cl)CNC1CC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000999403020 634584926 /nfs/dbraw/zinc/58/49/26/634584926.db2.gz LWYQQUPUKMVMRV-UHFFFAOYSA-N 1 3 313.873 2.050 20 30 DEEDHO C=C(Cl)CNC1CC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000999403020 634584933 /nfs/dbraw/zinc/58/49/33/634584933.db2.gz LWYQQUPUKMVMRV-UHFFFAOYSA-N 1 3 313.873 2.050 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CCCN2C(C)C)CC1(C)C ZINC000995791503 633122499 /nfs/dbraw/zinc/12/24/99/633122499.db2.gz HXKQNYHWPRFBRR-CVEARBPZSA-N 1 3 307.482 2.262 20 30 DEEDHO C#CCCN1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974686885 633235627 /nfs/dbraw/zinc/23/56/27/633235627.db2.gz YJRKMNUVAXDHDJ-DLBZAZTESA-N 1 3 319.493 2.099 20 30 DEEDHO C#CCCN1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974686885 633235629 /nfs/dbraw/zinc/23/56/29/633235629.db2.gz YJRKMNUVAXDHDJ-DLBZAZTESA-N 1 3 319.493 2.099 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974766928 633293417 /nfs/dbraw/zinc/29/34/17/633293417.db2.gz LGNMPHPMVAPYCJ-INIZCTEOSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974766928 633293420 /nfs/dbraw/zinc/29/34/20/633293420.db2.gz LGNMPHPMVAPYCJ-INIZCTEOSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3nc[nH]c3C)C[C@@H]2C1 ZINC000980228549 634906445 /nfs/dbraw/zinc/90/64/45/634906445.db2.gz GPFQZVOCFNUZJJ-ARFHVFGLSA-N 1 3 316.449 2.053 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3nc[nH]c3C)C[C@@H]2C1 ZINC000980228549 634906446 /nfs/dbraw/zinc/90/64/46/634906446.db2.gz GPFQZVOCFNUZJJ-ARFHVFGLSA-N 1 3 316.449 2.053 20 30 DEEDHO C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001001466427 635501928 /nfs/dbraw/zinc/50/19/28/635501928.db2.gz HKIKJSOOKOLTKK-KRWDZBQOSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000981540779 635523046 /nfs/dbraw/zinc/52/30/46/635523046.db2.gz GCUUWXQBEMKVAA-IAGOWNOFSA-N 1 3 313.445 2.012 20 30 DEEDHO C#CCN1CCC(CNC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001002037247 635609675 /nfs/dbraw/zinc/60/96/75/635609675.db2.gz MBHJJPCTQQNJIH-GOSISDBHSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCN1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001002037247 635609679 /nfs/dbraw/zinc/60/96/79/635609679.db2.gz MBHJJPCTQQNJIH-GOSISDBHSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC000982297575 635953975 /nfs/dbraw/zinc/95/39/75/635953975.db2.gz NDFJQBHYHKCQQE-KDURUIRLSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC000982297575 635953977 /nfs/dbraw/zinc/95/39/77/635953977.db2.gz NDFJQBHYHKCQQE-KDURUIRLSA-N 1 3 319.493 2.217 20 30 DEEDHO C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001006083540 637181669 /nfs/dbraw/zinc/18/16/69/637181669.db2.gz HOHMKWBQJXHKEW-GOSISDBHSA-N 1 3 319.493 2.195 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000900260365 642305407 /nfs/dbraw/zinc/30/54/07/642305407.db2.gz DLFMUHHVWVVLOK-UHFFFAOYSA-N 1 3 317.477 2.127 20 30 DEEDHO CC[C@@H](NCCC[NH+]1CCC(O)CC1)c1cccc(C#N)c1 ZINC000902762727 643128406 /nfs/dbraw/zinc/12/84/06/643128406.db2.gz PKWINAWVBPFKQK-GOSISDBHSA-N 1 3 301.434 2.446 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000907403124 644532199 /nfs/dbraw/zinc/53/21/99/644532199.db2.gz DOZCWQLGVKSFAQ-AEFFLSMTSA-N 1 3 315.461 2.131 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000907449581 644557361 /nfs/dbraw/zinc/55/73/61/644557361.db2.gz XNKZFIHZSOATGM-WBVHZDCISA-N 1 3 303.450 2.302 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001388794212 1155090185 /nfs/dbraw/zinc/09/01/85/1155090185.db2.gz IQIHXCZOAWPOEN-CQSZACIVSA-N 1 3 301.862 2.051 20 30 DEEDHO CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000817919749 647382033 /nfs/dbraw/zinc/38/20/33/647382033.db2.gz VTVWNUUMPXKDBM-MOIQIXESSA-N 1 3 317.433 2.209 20 30 DEEDHO CCCCN1CCC([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000819043256 647571108 /nfs/dbraw/zinc/57/11/08/647571108.db2.gz QTRGZAZUCMFXMU-SFHVURJKSA-N 1 3 301.434 2.446 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC000944446754 649527543 /nfs/dbraw/zinc/52/75/43/649527543.db2.gz VBYIUVUHWOARID-UKRRQHHQSA-N 1 3 304.438 2.053 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC000944446754 649527546 /nfs/dbraw/zinc/52/75/46/649527546.db2.gz VBYIUVUHWOARID-UKRRQHHQSA-N 1 3 304.438 2.053 20 30 DEEDHO CCc1ccc(CCNC(=[NH2+])NC[C@H]2CCCN2CC)cc1 ZINC000304761773 685259891 /nfs/dbraw/zinc/25/98/91/685259891.db2.gz UVPONBBVIRIRQG-QGZVFWFLSA-N 1 3 302.466 2.180 20 30 DEEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054144970 693862041 /nfs/dbraw/zinc/86/20/41/693862041.db2.gz GBIDCERMYAKERU-MJGOQNOKSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054144970 693862043 /nfs/dbraw/zinc/86/20/43/693862043.db2.gz GBIDCERMYAKERU-MJGOQNOKSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001054197910 693880062 /nfs/dbraw/zinc/88/00/62/693880062.db2.gz LNUKSHSIIQTEKC-PKOBYXMFSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001054197910 693880064 /nfs/dbraw/zinc/88/00/64/693880064.db2.gz LNUKSHSIIQTEKC-PKOBYXMFSA-N 1 3 319.493 2.361 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000193302340 685036751 /nfs/dbraw/zinc/03/67/51/685036751.db2.gz LBLCXPCJDHFCNO-HRCADAONSA-N 1 3 304.413 2.070 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCc2ccccc21 ZINC000303909309 685240344 /nfs/dbraw/zinc/24/03/44/685240344.db2.gz YCBJOHZHLWKVNX-SJORKVTESA-N 1 3 314.477 2.495 20 30 DEEDHO C#Cc1ccc(NC(=O)CCN(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000929698854 694008826 /nfs/dbraw/zinc/00/88/26/694008826.db2.gz AWCWTROMOFQYFH-KRWDZBQOSA-N 1 3 313.445 2.270 20 30 DEEDHO C#Cc1ccc(NC(=O)CCN(C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000929698854 694008831 /nfs/dbraw/zinc/00/88/31/694008831.db2.gz AWCWTROMOFQYFH-KRWDZBQOSA-N 1 3 313.445 2.270 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001054646672 694014791 /nfs/dbraw/zinc/01/47/91/694014791.db2.gz CIQJQWPXZLTNBV-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001016322812 687591968 /nfs/dbraw/zinc/59/19/68/687591968.db2.gz LRRCFSQVRYWKFI-QGZVFWFLSA-N 1 3 301.434 2.128 20 30 DEEDHO C=C(C)CN1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001016332245 687594811 /nfs/dbraw/zinc/59/48/11/687594811.db2.gz DKGQDXRWORRMPW-INIZCTEOSA-N 1 3 301.434 2.128 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000368 688548168 /nfs/dbraw/zinc/54/81/68/688548168.db2.gz BZWXQNJFICBWGM-QGZVFWFLSA-N 1 3 315.461 2.376 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000368 688548169 /nfs/dbraw/zinc/54/81/69/688548169.db2.gz BZWXQNJFICBWGM-QGZVFWFLSA-N 1 3 315.461 2.376 20 30 DEEDHO C=CCNC(=O)[C@H](C)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872155969 688940608 /nfs/dbraw/zinc/94/06/08/688940608.db2.gz BPKKXIQWZKDNHG-ZOBUZTSGSA-N 1 3 307.482 2.297 20 30 DEEDHO C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033354055 689474155 /nfs/dbraw/zinc/47/41/55/689474155.db2.gz MJWMYKBQAIIFTP-IRXDYDNUSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001033354055 689474157 /nfs/dbraw/zinc/47/41/57/689474157.db2.gz MJWMYKBQAIIFTP-IRXDYDNUSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033549081 689538791 /nfs/dbraw/zinc/53/87/91/689538791.db2.gz VDFLNFIUVIGFHI-QGZVFWFLSA-N 1 3 307.482 2.216 20 30 DEEDHO C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001033577095 689549588 /nfs/dbraw/zinc/54/95/88/689549588.db2.gz ZEAMEPOLQBINOA-ROUUACIJSA-N 1 3 319.493 2.197 20 30 DEEDHO C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033577095 689549592 /nfs/dbraw/zinc/54/95/92/689549592.db2.gz ZEAMEPOLQBINOA-ROUUACIJSA-N 1 3 319.493 2.197 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000876735925 689921308 /nfs/dbraw/zinc/92/13/08/689921308.db2.gz JXHUSDRIBNAKRW-HNNXBMFYSA-N 1 3 309.841 2.224 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000876735925 689921311 /nfs/dbraw/zinc/92/13/11/689921311.db2.gz JXHUSDRIBNAKRW-HNNXBMFYSA-N 1 3 309.841 2.224 20 30 DEEDHO C=CCC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035228571 690066425 /nfs/dbraw/zinc/06/64/25/690066425.db2.gz UECRUYVAXYFTFI-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035228571 690066428 /nfs/dbraw/zinc/06/64/28/690066428.db2.gz UECRUYVAXYFTFI-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CN1CC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001035725088 690161575 /nfs/dbraw/zinc/16/15/75/690161575.db2.gz FPRPNKKAUXRHLD-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CN1CC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035725088 690161577 /nfs/dbraw/zinc/16/15/77/690161577.db2.gz FPRPNKKAUXRHLD-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO Cc1cc(C[NH+]2CCC(N3CCN(C)CC3)CC2)ccc1C#N ZINC000877746615 690214026 /nfs/dbraw/zinc/21/40/26/690214026.db2.gz UBKFJYRVVQNRDW-UHFFFAOYSA-N 1 3 312.461 2.079 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036736271 690452133 /nfs/dbraw/zinc/45/21/33/690452133.db2.gz XNJMRPISLXHTQG-DLBZAZTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036736271 690452134 /nfs/dbraw/zinc/45/21/34/690452134.db2.gz XNJMRPISLXHTQG-DLBZAZTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C ZINC001039269621 691072856 /nfs/dbraw/zinc/07/28/56/691072856.db2.gz TVLWSORIWKKZIB-HMQMGEFJSA-N 1 3 305.466 2.158 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001040380774 691239768 /nfs/dbraw/zinc/23/97/68/691239768.db2.gz UVFACTQTXHDQPI-IEBWSBKVSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001040380774 691239771 /nfs/dbraw/zinc/23/97/71/691239771.db2.gz UVFACTQTXHDQPI-IEBWSBKVSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001041845661 691444213 /nfs/dbraw/zinc/44/42/13/691444213.db2.gz MLFLDGZEEBGNCU-PKOBYXMFSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001041845661 691444216 /nfs/dbraw/zinc/44/42/16/691444216.db2.gz MLFLDGZEEBGNCU-PKOBYXMFSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCN1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042063533 691496063 /nfs/dbraw/zinc/49/60/63/691496063.db2.gz YNYFLAYSTTUAMC-IAGOWNOFSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CN1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001042132743 691517144 /nfs/dbraw/zinc/51/71/44/691517144.db2.gz HUYGMEIJHJKDTJ-IAGOWNOFSA-N 1 3 317.477 2.114 20 30 DEEDHO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001042186616 691531834 /nfs/dbraw/zinc/53/18/34/691531834.db2.gz IPQCRJUECCLWAJ-IRXDYDNUSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001042186616 691531836 /nfs/dbraw/zinc/53/18/36/691531836.db2.gz IPQCRJUECCLWAJ-IRXDYDNUSA-N 1 3 319.493 2.360 20 30 DEEDHO C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001045967523 692064444 /nfs/dbraw/zinc/06/44/44/692064444.db2.gz WUIWMRGPVLUWPL-PKOBYXMFSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001045967523 692064446 /nfs/dbraw/zinc/06/44/46/692064446.db2.gz WUIWMRGPVLUWPL-PKOBYXMFSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045969504 692065254 /nfs/dbraw/zinc/06/52/54/692065254.db2.gz ROZJUEWALYLMHL-GOSISDBHSA-N 1 3 316.449 2.233 20 30 DEEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045969504 692065258 /nfs/dbraw/zinc/06/52/58/692065258.db2.gz ROZJUEWALYLMHL-GOSISDBHSA-N 1 3 316.449 2.233 20 30 DEEDHO C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001047257885 692402979 /nfs/dbraw/zinc/40/29/79/692402979.db2.gz VOBVDADWIYGUFH-MSOLQXFVSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001049464587 692890226 /nfs/dbraw/zinc/89/02/26/692890226.db2.gz NWGROOJXYNQLTB-GVDBMIGSSA-N 1 3 305.466 2.111 20 30 DEEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001049464587 692890231 /nfs/dbraw/zinc/89/02/31/692890231.db2.gz NWGROOJXYNQLTB-GVDBMIGSSA-N 1 3 305.466 2.111 20 30 DEEDHO CC#CCN1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001052651728 693588449 /nfs/dbraw/zinc/58/84/49/693588449.db2.gz MNTIHXKTJKGDDH-ZWKOTPCHSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CCN1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001052651728 693588451 /nfs/dbraw/zinc/58/84/51/693588451.db2.gz MNTIHXKTJKGDDH-ZWKOTPCHSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)CN(C)C1CCC1 ZINC001394024089 1158171846 /nfs/dbraw/zinc/17/18/46/1158171846.db2.gz YGNZRLPUTVFXOC-UHFFFAOYSA-N 1 3 315.889 2.297 20 30 DEEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001397226801 1160065745 /nfs/dbraw/zinc/06/57/45/1160065745.db2.gz NJXSZMLJWWEIHP-HNNXBMFYSA-N 1 3 315.889 2.442 20 30 DEEDHO C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001401327844 1161933105 /nfs/dbraw/zinc/93/31/05/1161933105.db2.gz VZAYMJWOIVDOSD-SOUVJXGZSA-N 1 3 315.889 2.200 20 30 DEEDHO C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001401327844 1161933111 /nfs/dbraw/zinc/93/31/11/1161933111.db2.gz VZAYMJWOIVDOSD-SOUVJXGZSA-N 1 3 315.889 2.200 20 30 DEEDHO C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001424383687 1173777541 /nfs/dbraw/zinc/77/75/41/1173777541.db2.gz QUJGMMUNGPDPTM-AWEZNQCLSA-N 1 3 315.889 2.440 20 30 DEEDHO C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001438805695 1180818125 /nfs/dbraw/zinc/81/81/25/1180818125.db2.gz QHMGXGWBSFFRDU-CABCVRRESA-N 1 3 315.889 2.342 20 30 DEEDHO C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001438805695 1180818126 /nfs/dbraw/zinc/81/81/26/1180818126.db2.gz QHMGXGWBSFFRDU-CABCVRRESA-N 1 3 315.889 2.342 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001444373605 1183362441 /nfs/dbraw/zinc/36/24/41/1183362441.db2.gz ICYPXRCEUVCDBB-HIFRSBDPSA-N 1 3 315.889 2.344 20 30 DEEDHO C=CCN(C)CCN(CC)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC001448874703 1185444211 /nfs/dbraw/zinc/44/42/11/1185444211.db2.gz SULAYYRKLGPCKS-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO C[NH+]=C(NCC1CCOCC1)NC[C@]1(N(C)C)CCC[C@H](C)C1 ZINC000176351469 782353042 /nfs/dbraw/zinc/35/30/42/782353042.db2.gz ULFSOACZNUTSCS-YJBOKZPZSA-N 1 3 324.513 2.089 20 30 DEEDHO C=CC[N@H+]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089493457 783159119 /nfs/dbraw/zinc/15/91/19/783159119.db2.gz XBEFTUNHICGCHD-HOTGVXAUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CC[N@@H+]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089493457 783159126 /nfs/dbraw/zinc/15/91/26/783159126.db2.gz XBEFTUNHICGCHD-HOTGVXAUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001104348338 777095671 /nfs/dbraw/zinc/09/56/71/777095671.db2.gz FEFQJUMBOHTCHG-BRWVUGGUSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)N2CCCC2)C1 ZINC001088358692 780025262 /nfs/dbraw/zinc/02/52/62/780025262.db2.gz ICLASCZLOOZCNE-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H](CC)N(C)C)CCC1 ZINC001105566179 780771210 /nfs/dbraw/zinc/77/12/10/780771210.db2.gz FYGCRGVDSCAWBR-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H](CC)N(C)C)CCC1 ZINC001105566178 780771345 /nfs/dbraw/zinc/77/13/45/780771345.db2.gz FYGCRGVDSCAWBR-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@H+]1CCC[C@H](NC(=O)c2sccc2CN(C)C)C1 ZINC001007439946 784919632 /nfs/dbraw/zinc/91/96/32/784919632.db2.gz GMBJCRIKSVKDFP-HNNXBMFYSA-N 1 3 319.474 2.027 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2sccc2CN(C)C)C1 ZINC001007439946 784919638 /nfs/dbraw/zinc/91/96/38/784919638.db2.gz GMBJCRIKSVKDFP-HNNXBMFYSA-N 1 3 319.474 2.027 20 30 DEEDHO C=C(C)CN1CCC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001007500168 784937388 /nfs/dbraw/zinc/93/73/88/784937388.db2.gz RAQBTQKNKWTSIP-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CN1CCC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007500168 784937393 /nfs/dbraw/zinc/93/73/93/784937393.db2.gz RAQBTQKNKWTSIP-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001108704285 785494895 /nfs/dbraw/zinc/49/48/95/785494895.db2.gz HAEVOYFIPZMRBQ-BQFCYCMXSA-N 1 3 319.493 2.406 20 30 DEEDHO C=CC[NH2+]C1CC(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001091376048 791126138 /nfs/dbraw/zinc/12/61/38/791126138.db2.gz IUAUUYZERNEPEG-UHFFFAOYSA-N 1 3 301.434 2.032 20 30 DEEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)N(CC)CC)C2 ZINC001109714356 785996642 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KZCCXBPCCGAPPL-IRXDYDNUSA-N 1 3 321.509 2.369 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC(C)C)CC1 ZINC001146610395 791322813 /nfs/dbraw/zinc/32/28/13/791322813.db2.gz JAJUMIWEHRMCJR-IAGOWNOFSA-N 1 3 321.509 2.251 20 30 DEEDHO C=CCN1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477208 791752542 /nfs/dbraw/zinc/75/25/42/791752542.db2.gz MPLPFUOPKRCCGQ-INIZCTEOSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CN(C)CCC)C2)C1 ZINC001148651619 791781421 /nfs/dbraw/zinc/78/14/21/791781421.db2.gz KTULUGMYPBAMTK-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CN(C)CCC)C2)C1 ZINC001148651619 791781426 /nfs/dbraw/zinc/78/14/26/791781426.db2.gz KTULUGMYPBAMTK-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001086928910 791859132 /nfs/dbraw/zinc/85/91/32/791859132.db2.gz RQOHASGZKTXOED-JKSUJKDBSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CC[N@@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001093225542 792295994 /nfs/dbraw/zinc/29/59/94/792295994.db2.gz MSQNIDXMPUPUHQ-NVXWUHKLSA-N 1 3 315.461 2.232 20 30 DEEDHO C=CC[N@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001093225542 792296004 /nfs/dbraw/zinc/29/60/04/792296004.db2.gz MSQNIDXMPUPUHQ-NVXWUHKLSA-N 1 3 315.461 2.232 20 30 DEEDHO C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3CCC)CCC[C@@H]12 ZINC001094430854 792915769 /nfs/dbraw/zinc/91/57/69/792915769.db2.gz XVXREKTZKUVTDL-YQVWRLOYSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3CCC)CCC[C@@H]12 ZINC001094430854 792915778 /nfs/dbraw/zinc/91/57/78/792915778.db2.gz XVXREKTZKUVTDL-YQVWRLOYSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001101267405 793091014 /nfs/dbraw/zinc/09/10/14/793091014.db2.gz CQKLJPJNCNTZGS-AEFFLSMTSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001101267405 793091017 /nfs/dbraw/zinc/09/10/17/793091017.db2.gz CQKLJPJNCNTZGS-AEFFLSMTSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101375360 793136250 /nfs/dbraw/zinc/13/62/50/793136250.db2.gz OUNNNHZCRIRKOS-RKVPGOIHSA-N 1 3 316.449 2.087 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101375360 793136252 /nfs/dbraw/zinc/13/62/52/793136252.db2.gz OUNNNHZCRIRKOS-RKVPGOIHSA-N 1 3 316.449 2.087 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001094936088 793480216 /nfs/dbraw/zinc/48/02/16/793480216.db2.gz VPAYKSNAUZAACO-XHSDSOJGSA-N 1 3 305.466 2.016 20 30 DEEDHO C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001175573945 794245475 /nfs/dbraw/zinc/24/54/75/794245475.db2.gz RPSUSQCUGYEMLS-IRXDYDNUSA-N 1 3 307.482 2.147 20 30 DEEDHO C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCCCN1CC ZINC001180372544 795293077 /nfs/dbraw/zinc/29/30/77/795293077.db2.gz ARYMNYCQILLIJB-QGZVFWFLSA-N 1 3 307.482 2.150 20 30 DEEDHO C=CCC[NH2+]C[C@]1(C)CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001181736342 795536923 /nfs/dbraw/zinc/53/69/23/795536923.db2.gz NPLIVJCPAKYALR-CRAIPNDOSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@H](CC)N(C)C)C2)C1 ZINC001121784737 795687631 /nfs/dbraw/zinc/68/76/31/795687631.db2.gz ILZGETJQTMOGOY-JNJRBNHSSA-N 1 3 313.873 2.096 20 30 DEEDHO CC1([NH+]2CCCC2)CCC(NC(=O)[C@H](N)CCCCC#N)CC1 ZINC001122247263 795739276 /nfs/dbraw/zinc/73/92/76/795739276.db2.gz CAGYMRUKVRJDHG-UPTPFMHGSA-N 1 3 320.481 2.311 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001184565553 796084060 /nfs/dbraw/zinc/08/40/60/796084060.db2.gz JWEVRUDNGTYOGI-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001184575105 796086088 /nfs/dbraw/zinc/08/60/88/796086088.db2.gz BJSMCHMJPMJVEO-HOTGVXAUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001185167188 796200348 /nfs/dbraw/zinc/20/03/48/796200348.db2.gz CXDHBPMOASZHFW-SJORKVTESA-N 1 3 321.509 2.369 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001185551326 796280773 /nfs/dbraw/zinc/28/07/73/796280773.db2.gz ZDBGCFFAHCQXLN-IRXDYDNUSA-N 1 3 309.498 2.369 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001186083127 796356140 /nfs/dbraw/zinc/35/61/40/796356140.db2.gz RWZXJIOGYSRMDM-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCC[N@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196010257 797993507 /nfs/dbraw/zinc/99/35/07/797993507.db2.gz LVSFGCPUTQZDRZ-MRXNPFEDSA-N 1 3 313.461 2.167 20 30 DEEDHO C=CCCC[N@@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196010257 797993511 /nfs/dbraw/zinc/99/35/11/797993511.db2.gz LVSFGCPUTQZDRZ-MRXNPFEDSA-N 1 3 313.461 2.167 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CCC(C)C)CC1 ZINC001157092313 798142274 /nfs/dbraw/zinc/14/22/74/798142274.db2.gz RCXMFXCAKDHCTI-QGZVFWFLSA-N 1 3 321.509 2.204 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)C)CC1 ZINC001157092313 798142278 /nfs/dbraw/zinc/14/22/78/798142278.db2.gz RCXMFXCAKDHCTI-QGZVFWFLSA-N 1 3 321.509 2.204 20 30 DEEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccccc1CN(C)C ZINC001157138121 798148660 /nfs/dbraw/zinc/14/86/60/798148660.db2.gz NSBBETXXOZLYMG-MRXNPFEDSA-N 1 3 315.461 2.212 20 30 DEEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1CN(C)C ZINC001157138121 798148664 /nfs/dbraw/zinc/14/86/64/798148664.db2.gz NSBBETXXOZLYMG-MRXNPFEDSA-N 1 3 315.461 2.212 20 30 DEEDHO C=C(Cl)CNCCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001159907925 798623854 /nfs/dbraw/zinc/62/38/54/798623854.db2.gz FNSJHCUJJFXDEB-HNNXBMFYSA-N 1 3 313.873 2.242 20 30 DEEDHO C=C(Cl)CNCCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001159907925 798623857 /nfs/dbraw/zinc/62/38/57/798623857.db2.gz FNSJHCUJJFXDEB-HNNXBMFYSA-N 1 3 313.873 2.242 20 30 DEEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001110695039 798970425 /nfs/dbraw/zinc/97/04/25/798970425.db2.gz YOXOJCKNKIFXPB-NCOADZHNSA-N 1 3 307.482 2.260 20 30 DEEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001110695039 798970431 /nfs/dbraw/zinc/97/04/31/798970431.db2.gz YOXOJCKNKIFXPB-NCOADZHNSA-N 1 3 307.482 2.260 20 30 DEEDHO C/C(=N\O)c1ccc(NCC2(N(C)C)CC[NH+](C)CC2)cc1 ZINC001164216897 799542753 /nfs/dbraw/zinc/54/27/53/799542753.db2.gz LWTYFUYRRHLVND-XMHGGMMESA-N 1 3 304.438 2.323 20 30 DEEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208128851 800917611 /nfs/dbraw/zinc/91/76/11/800917611.db2.gz JHXIIMVGYFDDBY-NVXWUHKLSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208128851 800917614 /nfs/dbraw/zinc/91/76/14/800917614.db2.gz JHXIIMVGYFDDBY-NVXWUHKLSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCC[NH2+][C@@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC001210183935 801348748 /nfs/dbraw/zinc/34/87/48/801348748.db2.gz UVHQZUMDYQICOR-QGZVFWFLSA-N 1 3 307.482 2.102 20 30 DEEDHO C=C(C)C[NH+]1CCC(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001224577398 802883656 /nfs/dbraw/zinc/88/36/56/802883656.db2.gz YTYPVEIJTVFCGN-UHFFFAOYSA-N 1 3 309.498 2.369 20 30 DEEDHO CC#CCN1CCC(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001224884127 802914528 /nfs/dbraw/zinc/91/45/28/802914528.db2.gz OOBSJVHOSRSLST-GOSISDBHSA-N 1 3 321.509 2.204 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001226773518 803156760 /nfs/dbraw/zinc/15/67/60/803156760.db2.gz FLUZOGVSUYJVPD-RBSFLKMASA-N 1 3 313.873 2.096 20 30 DEEDHO CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCCN1C(C)C ZINC001228932523 803433376 /nfs/dbraw/zinc/43/33/76/803433376.db2.gz PFESNYOLAMOUQC-KZNAEPCWSA-N 1 3 319.493 2.290 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001419518099 1168566891 /nfs/dbraw/zinc/56/68/91/1168566891.db2.gz XKOUSHLDBYISEY-GFCCVEGCSA-N 1 3 303.878 2.059 20 30 DEEDHO C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001501190040 1059362525 /nfs/dbraw/zinc/36/25/25/1059362525.db2.gz MPCOZKFKOPUQCT-XSLAGTTESA-N 1 3 319.493 2.005 20 30 DEEDHO C=CCN(C)CCN(CC)C(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001467728790 1059693994 /nfs/dbraw/zinc/69/39/94/1059693994.db2.gz QEWRLTSBGUYADK-BRWVUGGUSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCN(C)CCN(CC)C(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@H+]2C1 ZINC001467728790 1059694010 /nfs/dbraw/zinc/69/40/10/1059694010.db2.gz QEWRLTSBGUYADK-BRWVUGGUSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001502126513 1059967011 /nfs/dbraw/zinc/96/70/11/1059967011.db2.gz ZZVSXJNXLVNZOM-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001502126513 1059967034 /nfs/dbraw/zinc/96/70/34/1059967034.db2.gz ZZVSXJNXLVNZOM-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001480051603 1062243799 /nfs/dbraw/zinc/24/37/99/1062243799.db2.gz SQYWTLLMTWMZBP-IAGOWNOFSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCN[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001493893442 1064014376 /nfs/dbraw/zinc/01/43/76/1064014376.db2.gz UPCYWOZMQLBLAU-QGZVFWFLSA-N 1 3 315.461 2.494 20 30 DEEDHO C=C(C)CN(CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001567456150 1064206478 /nfs/dbraw/zinc/20/64/78/1064206478.db2.gz QNKRMAFVVGZMOY-QGZVFWFLSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001567634827 1064296011 /nfs/dbraw/zinc/29/60/11/1064296011.db2.gz RNKFTTHFVYUOFZ-WMZOPIPTSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[NH2+]C1(CNC(=O)[C@@H](C)N2CCCCCC2)CCCC1 ZINC001568244752 1064725531 /nfs/dbraw/zinc/72/55/31/1064725531.db2.gz OMFWVUKKDXTCBT-QGZVFWFLSA-N 1 3 319.493 2.293 20 30 DEEDHO C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001568393764 1064832994 /nfs/dbraw/zinc/83/29/94/1064832994.db2.gz RWXDRVXSNQXOBS-MRXNPFEDSA-N 1 3 304.438 2.279 20 30 DEEDHO C=CC[NH+]1CCC(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001495530773 1064969674 /nfs/dbraw/zinc/96/96/74/1064969674.db2.gz GRYIRYUKJWJPIU-UHFFFAOYSA-N 1 3 309.498 2.369 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@H]([NH2+]CC=C(C)C)C(C)C)CC1 ZINC001496639834 1065612797 /nfs/dbraw/zinc/61/27/97/1065612797.db2.gz TXFLOYKUOYMRPV-SFHVURJKSA-N 1 3 319.493 2.028 20 30 DEEDHO N#CCCC[C@H](N)C(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC001580047557 1067482237 /nfs/dbraw/zinc/48/22/37/1067482237.db2.gz KNAZXQIEKAPMFA-KRWDZBQOSA-N 1 3 320.481 2.265 20 30 DEEDHO C=C(C)CN(CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC1 ZINC001267334010 1078773545 /nfs/dbraw/zinc/77/35/45/1078773545.db2.gz UVRGZZQPUDNJJC-IAGOWNOFSA-N 1 3 305.466 2.160 20 30 DEEDHO C=C(C)CN(CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1CC1 ZINC001267334010 1078773550 /nfs/dbraw/zinc/77/35/50/1078773550.db2.gz UVRGZZQPUDNJJC-IAGOWNOFSA-N 1 3 305.466 2.160 20 30 DEEDHO C#CCN(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CCCCC1 ZINC001574672715 1069246154 /nfs/dbraw/zinc/24/61/54/1069246154.db2.gz DJUIWWDUAVPFPZ-OALUTQOASA-N 1 3 300.446 2.185 20 30 DEEDHO C#CC[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C1CCCCC1 ZINC001574672715 1069246167 /nfs/dbraw/zinc/24/61/67/1069246167.db2.gz DJUIWWDUAVPFPZ-OALUTQOASA-N 1 3 300.446 2.185 20 30 DEEDHO C#CC[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C1CCCCC1 ZINC001574672715 1069246181 /nfs/dbraw/zinc/24/61/81/1069246181.db2.gz DJUIWWDUAVPFPZ-OALUTQOASA-N 1 3 300.446 2.185 20 30 DEEDHO CC#CC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CCCC1 ZINC001484005600 1079235610 /nfs/dbraw/zinc/23/56/10/1079235610.db2.gz NXCHYSGMINHDNZ-KRWDZBQOSA-N 1 3 319.493 2.149 20 30 DEEDHO C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001565852482 1075197275 /nfs/dbraw/zinc/19/72/75/1075197275.db2.gz MFJWENRLRCOYCC-YESZJQIVSA-N 1 3 307.482 2.311 20 30 DEEDHO C#CCN1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001566129398 1075233587 /nfs/dbraw/zinc/23/35/87/1075233587.db2.gz FRAYNEKLHSGADI-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001566129398 1075233593 /nfs/dbraw/zinc/23/35/93/1075233593.db2.gz FRAYNEKLHSGADI-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO C=CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001267707592 1079393433 /nfs/dbraw/zinc/39/34/33/1079393433.db2.gz BNYOLZVKBMNZCP-QGZVFWFLSA-N 1 3 315.461 2.328 20 30 DEEDHO C=CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001267707592 1079393437 /nfs/dbraw/zinc/39/34/37/1079393437.db2.gz BNYOLZVKBMNZCP-QGZVFWFLSA-N 1 3 315.461 2.328 20 30 DEEDHO C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001566955383 1075398677 /nfs/dbraw/zinc/39/86/77/1075398677.db2.gz LTVMFILLBCJNTL-ROUUACIJSA-N 1 3 319.493 2.197 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001566963812 1075401779 /nfs/dbraw/zinc/40/17/79/1075401779.db2.gz ZRMBBFDQVYTCMD-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001566963812 1075401784 /nfs/dbraw/zinc/40/17/84/1075401784.db2.gz ZRMBBFDQVYTCMD-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCC[NH2+]C[C@@](C)(NC(=O)[C@@H](C)N1CCCCCC1)C1CC1 ZINC001267861054 1079548086 /nfs/dbraw/zinc/54/80/86/1079548086.db2.gz VXQUIRABXPZYCI-VQIMIIECSA-N 1 3 319.493 2.149 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)CCC)CC1 ZINC001484574959 1079671476 /nfs/dbraw/zinc/67/14/76/1079671476.db2.gz JSSSLJQOYBPRCX-SHTZXODSSA-N 1 3 315.889 2.345 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001481436153 1079842971 /nfs/dbraw/zinc/84/29/71/1079842971.db2.gz YSNXHAMXGFNGGS-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001481436153 1079842972 /nfs/dbraw/zinc/84/29/72/1079842972.db2.gz YSNXHAMXGFNGGS-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001656198558 1080063949 /nfs/dbraw/zinc/06/39/49/1080063949.db2.gz VRWNMNQBHCTJBZ-BRWVUGGUSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CC[N@@H+](C)CCC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001268201395 1080188966 /nfs/dbraw/zinc/18/89/66/1080188966.db2.gz LPBQVAWHBIQLPI-KRWDZBQOSA-N 1 3 309.498 2.319 20 30 DEEDHO C=CC[N@H+](C)CCC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001268201395 1080188972 /nfs/dbraw/zinc/18/89/72/1080188972.db2.gz LPBQVAWHBIQLPI-KRWDZBQOSA-N 1 3 309.498 2.319 20 30 DEEDHO CN(CCC#N)c1ccc(CN[C@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC001658778259 1080218272 /nfs/dbraw/zinc/21/82/72/1080218272.db2.gz UUQKHGOPTQDWIG-UHOSZYNNSA-N 1 3 312.461 2.466 20 30 DEEDHO CN(CCC#N)c1ccc(CN[C@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC001658778259 1080218277 /nfs/dbraw/zinc/21/82/77/1080218277.db2.gz UUQKHGOPTQDWIG-UHOSZYNNSA-N 1 3 312.461 2.466 20 30 DEEDHO CN(CCC#N)c1ccc(C[NH2+][C@H]2CC[C@H]3CN(C)C[C@H]32)cc1 ZINC001658778259 1080218287 /nfs/dbraw/zinc/21/82/87/1080218287.db2.gz UUQKHGOPTQDWIG-UHOSZYNNSA-N 1 3 312.461 2.466 20 30 DEEDHO CC#CC[NH2+]C[C@@]1(NC(=O)CN(C)C(C)C)CCCC[C@H]1C ZINC001481964829 1080656277 /nfs/dbraw/zinc/65/62/77/1080656277.db2.gz TWVYRLRFJVIKOR-AEFFLSMTSA-N 1 3 307.482 2.005 20 30 DEEDHO CC#CCN(C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001662868078 1080670068 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C=CCN1CCC(N(CCC)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001266390209 1082015263 /nfs/dbraw/zinc/01/52/63/1082015263.db2.gz OIVIAJDIPXITCX-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCN1CCC(N(CCC)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001266390209 1082015272 /nfs/dbraw/zinc/01/52/72/1082015272.db2.gz OIVIAJDIPXITCX-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001266466068 1082054659 /nfs/dbraw/zinc/05/46/59/1082054659.db2.gz ILHMMLDBECXJMN-SJORKVTESA-N 1 3 309.498 2.463 20 30 DEEDHO C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001266466068 1082054665 /nfs/dbraw/zinc/05/46/65/1082054665.db2.gz ILHMMLDBECXJMN-SJORKVTESA-N 1 3 309.498 2.463 20 30 DEEDHO C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001271665635 1082104573 /nfs/dbraw/zinc/10/45/73/1082104573.db2.gz MAIYQSVJOZDENU-IRXDYDNUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001271741077 1082143547 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DEEDHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001235259909 1084363573 /nfs/dbraw/zinc/36/35/73/1084363573.db2.gz DLDAZCVHTZQLPE-ROUUACIJSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001235259909 1084363579 /nfs/dbraw/zinc/36/35/79/1084363579.db2.gz DLDAZCVHTZQLPE-ROUUACIJSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001078695090 1084828225 /nfs/dbraw/zinc/82/82/25/1084828225.db2.gz HOMGEQPSBUDPSY-HOTGVXAUSA-N 1 3 319.493 2.454 20 30 DEEDHO C#CCC[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC1(C)C ZINC001486232533 1085139836 /nfs/dbraw/zinc/13/98/36/1085139836.db2.gz YFLCIOJOXXWWMD-INIZCTEOSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[NH2+]C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C(C)(C)C ZINC001486415979 1085302792 /nfs/dbraw/zinc/30/27/92/1085302792.db2.gz HMOKMYVXRXOIKY-DLBZAZTESA-N 1 3 321.509 2.395 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC000961956521 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307.482 2.118 20 30 DEEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001264373062 1144517580 /nfs/dbraw/zinc/51/75/80/1144517580.db2.gz QWOXHEZFEADPQK-SJORKVTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001280308903 1144835373 /nfs/dbraw/zinc/83/53/73/1144835373.db2.gz WNHBTVHYWUWQET-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001316680196 1147300628 /nfs/dbraw/zinc/30/06/28/1147300628.db2.gz PTDXXNFXQNODTJ-WMZOPIPTSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001317045503 1147652227 /nfs/dbraw/zinc/65/22/27/1147652227.db2.gz QXWGCWLTBLULRD-ROUUACIJSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001317045503 1147652229 /nfs/dbraw/zinc/65/22/29/1147652229.db2.gz QXWGCWLTBLULRD-ROUUACIJSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001317294734 1147686572 /nfs/dbraw/zinc/68/65/72/1147686572.db2.gz PWZWLNCRNKCTDL-SJORKVTESA-N 1 3 321.509 2.108 20 30 DEEDHO C=C(C)CC[N@H+](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001317461825 1147712185 /nfs/dbraw/zinc/71/21/85/1147712185.db2.gz RPHOUFUMUIELCC-KRWDZBQOSA-N 1 3 313.461 2.213 20 30 DEEDHO C=C(C)CC[N@@H+](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001317461825 1147712186 /nfs/dbraw/zinc/71/21/86/1147712186.db2.gz RPHOUFUMUIELCC-KRWDZBQOSA-N 1 3 313.461 2.213 20 30 DEEDHO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCCC[C@H]3CN)CC2)nc1 ZINC000591570861 357737032 /nfs/dbraw/zinc/73/70/32/357737032.db2.gz XUMYRZSCYPLSFH-DOTOQJQBSA-N 1 3 313.449 2.029 20 30 DEEDHO C[C@@H](N)C[C@@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593323578 358054929 /nfs/dbraw/zinc/05/49/29/358054929.db2.gz QHIUJTQYVHAEOK-HUUCEWRRSA-N 1 3 300.450 2.238 20 30 DEEDHO C[C@@H]1C[C@@H](CN2CCN(c3ccsc3C#N)CC2)CC[NH2+]1 ZINC000594735712 358328919 /nfs/dbraw/zinc/32/89/19/358328919.db2.gz NKNHOODBZYYPMF-KGLIPLIRSA-N 1 3 304.463 2.130 20 30 DEEDHO N#Cc1ccc2c(c1)[C@@H](Nc1cc(N3CCNCC3)cc[nH+]1)CC2 ZINC000602019106 360242169 /nfs/dbraw/zinc/24/21/69/360242169.db2.gz AVVXPYFMYJVWKI-SFHVURJKSA-N 1 3 319.412 2.462 20 30 DEEDHO CC(C)[NH+]1CCC(N2CCN(C[C@H](C)CCC#N)CC2)CC1 ZINC000602483818 360400434 /nfs/dbraw/zinc/40/04/34/360400434.db2.gz MEMGIYDQBYODHI-QGZVFWFLSA-N 1 3 306.498 2.417 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](CC)C[NH+]2CCCC2)CC1 ZINC000675187473 541297833 /nfs/dbraw/zinc/29/78/33/541297833.db2.gz VGSUCHRKZNGXEQ-INIZCTEOSA-N 1 3 322.497 2.201 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000458319201 248261102 /nfs/dbraw/zinc/26/11/02/248261102.db2.gz KREGFQAPMGAWAR-QGZVFWFLSA-N 1 3 322.497 2.151 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000458319201 248261107 /nfs/dbraw/zinc/26/11/07/248261107.db2.gz KREGFQAPMGAWAR-QGZVFWFLSA-N 1 3 322.497 2.151 20 30 DEEDHO C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(CC[NH+](C)C)CC1 ZINC000056523191 184015076 /nfs/dbraw/zinc/01/50/76/184015076.db2.gz VHCIEPGFOUVEFP-INIZCTEOSA-N 1 3 309.498 2.463 20 30 DEEDHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(C#N)c(F)c1 ZINC000537406697 284992378 /nfs/dbraw/zinc/99/23/78/284992378.db2.gz GAKSEZXXIQLDLJ-OAHLLOKOSA-N 1 3 318.440 2.376 20 30 DEEDHO COC1([C@H](C)NCC#CC[NH2+][C@@H](C)C2(OC)CCC2)CCC1 ZINC000412029587 533027260 /nfs/dbraw/zinc/02/72/60/533027260.db2.gz YNDRQJAZMRDIDZ-HOTGVXAUSA-N 1 3 308.466 2.084 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N2CCC([NH2+]C(C)C)CC2)CC1 ZINC000111859349 401726632 /nfs/dbraw/zinc/72/66/32/401726632.db2.gz QAHIXXSLVRWVHW-UHFFFAOYSA-N 1 3 322.497 2.199 20 30 DEEDHO C=C(C)CN(CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127467011 401736618 /nfs/dbraw/zinc/73/66/18/401736618.db2.gz UGLQUJNNYBYKBK-UHFFFAOYSA-N 1 3 322.497 2.153 20 30 DEEDHO C#CCCOc1ccc(CNC2CC[NH+](CCOC)CC2)cc1 ZINC000113328767 401776810 /nfs/dbraw/zinc/77/68/10/401776810.db2.gz MWPSSUGQNUFRTJ-UHFFFAOYSA-N 1 3 316.445 2.289 20 30 DEEDHO C[NH+]=C(NCc1sc(C)nc1C)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000158335342 402304514 /nfs/dbraw/zinc/30/45/14/402304514.db2.gz WOCGIDOCMATEPP-FZMZJTMJSA-N 1 3 323.510 2.154 20 30 DEEDHO COc1ccccc1CNC(=[NH2+])NCCN(C(C)C)C(C)C ZINC000170905698 402540822 /nfs/dbraw/zinc/54/08/22/402540822.db2.gz YLGFRKYQVLZFED-UHFFFAOYSA-N 1 3 306.454 2.218 20 30 DEEDHO CC[NH+](CC)[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280500040 403006488 /nfs/dbraw/zinc/00/64/88/403006488.db2.gz WMEPAFVLRBDHGQ-ROUUACIJSA-N 1 3 324.428 2.183 20 30 DEEDHO C=CCN1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000361768056 403853701 /nfs/dbraw/zinc/85/37/01/403853701.db2.gz YEQKLRWTRKHEKQ-WBVHZDCISA-N 1 3 322.497 2.151 20 30 DEEDHO C=CCN1CCC(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000361768056 403853704 /nfs/dbraw/zinc/85/37/04/403853704.db2.gz YEQKLRWTRKHEKQ-WBVHZDCISA-N 1 3 322.497 2.151 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000358797780 404776000 /nfs/dbraw/zinc/77/60/00/404776000.db2.gz XTXQLUZFVYDXRN-JKSUJKDBSA-N 1 3 322.497 2.199 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000358797780 404776004 /nfs/dbraw/zinc/77/60/04/404776004.db2.gz XTXQLUZFVYDXRN-JKSUJKDBSA-N 1 3 322.497 2.199 20 30 DEEDHO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000435760455 405011996 /nfs/dbraw/zinc/01/19/96/405011996.db2.gz CAMPXXMLSSPWIO-SJLPKXTDSA-N 1 3 318.461 2.038 20 30 DEEDHO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000435760455 405012001 /nfs/dbraw/zinc/01/20/01/405012001.db2.gz CAMPXXMLSSPWIO-SJLPKXTDSA-N 1 3 318.461 2.038 20 30 DEEDHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424150209 405023895 /nfs/dbraw/zinc/02/38/95/405023895.db2.gz YKJUALFHNREFGE-GJZGRUSLSA-N 1 3 308.470 2.024 20 30 DEEDHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424150209 405023897 /nfs/dbraw/zinc/02/38/97/405023897.db2.gz YKJUALFHNREFGE-GJZGRUSLSA-N 1 3 308.470 2.024 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C)C(C)C ZINC000417073591 405027417 /nfs/dbraw/zinc/02/74/17/405027417.db2.gz YFSASWCPQRQBHF-BRWVUGGUSA-N 1 3 322.497 2.064 20 30 DEEDHO CC(C)[C@H](N)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423263315 405742611 /nfs/dbraw/zinc/74/26/11/405742611.db2.gz AWMHRCMDVVZNPD-GOSISDBHSA-N 1 3 300.450 2.096 20 30 DEEDHO CC(C)[C@H]([NH3+])CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423263315 405742620 /nfs/dbraw/zinc/74/26/20/405742620.db2.gz AWMHRCMDVVZNPD-GOSISDBHSA-N 1 3 300.450 2.096 20 30 DEEDHO CC(C)C[C@H](C[NH3+])NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423264004 405743066 /nfs/dbraw/zinc/74/30/66/405743066.db2.gz PKEKAZBPEXJWPT-LJQANCHMSA-N 1 3 314.477 2.486 20 30 DEEDHO CC#CC[C@@H](CO)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000641767387 406887795 /nfs/dbraw/zinc/88/77/95/406887795.db2.gz JWMGUXSJAFFUBX-IBGZPJMESA-N 1 3 300.446 2.057 20 30 DEEDHO [NH2+]=C(NC1CC(F)(F)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000263239789 225294531 /nfs/dbraw/zinc/29/45/31/225294531.db2.gz FXOXUJWFXXXYGX-UHFFFAOYSA-N 1 3 322.403 2.353 20 30 DEEDHO C=CC[C@H]1CC[C@@H]([NH2+]CC(=O)NCCN2CCCCCC2)C1 ZINC000651816077 425148587 /nfs/dbraw/zinc/14/85/87/425148587.db2.gz ATTOKJMOIISCGZ-DLBZAZTESA-N 1 3 307.482 2.313 20 30 DEEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000661117516 425327363 /nfs/dbraw/zinc/32/73/63/425327363.db2.gz REUQHRYCHAHKTG-QAPCUYQASA-N 1 3 319.493 2.454 20 30 DEEDHO C=CC[C@]1(C(=O)NCc2ccccc2CN(C)C)CCC[NH2+]1 ZINC000662670318 425707900 /nfs/dbraw/zinc/70/79/00/425707900.db2.gz FZKQEJXRSKHKSA-GOSISDBHSA-N 1 3 301.434 2.063 20 30 DEEDHO CN1CCCN(CCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353427812 277051656 /nfs/dbraw/zinc/05/16/56/277051656.db2.gz PFDOHIDAYIEEKE-LJQANCHMSA-N 1 3 312.461 2.163 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000342766490 277851951 /nfs/dbraw/zinc/85/19/51/277851951.db2.gz VLMBJAUKKFIHEB-GVDBMIGSSA-N 1 3 307.482 2.189 20 30 DEEDHO C=C(Cl)CNC1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001378716424 1152422224 /nfs/dbraw/zinc/42/22/24/1152422224.db2.gz OWQLRGIQZZEGCK-AWEZNQCLSA-N 1 3 313.873 2.099 20 30 DEEDHO C=C(Cl)CNC1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001378716424 1152422226 /nfs/dbraw/zinc/42/22/26/1152422226.db2.gz OWQLRGIQZZEGCK-AWEZNQCLSA-N 1 3 313.873 2.099 20 30 DEEDHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422982182 534177734 /nfs/dbraw/zinc/17/77/34/534177734.db2.gz VVZNVTMFEHMFDD-YDHLFZDLSA-N 1 3 304.413 2.382 20 30 DEEDHO C=CCNC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000248403242 526575460 /nfs/dbraw/zinc/57/54/60/526575460.db2.gz XQXNESIQWYRJQK-MNZLEMJZSA-N 1 3 315.461 2.035 20 30 DEEDHO C=CCOCC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000339013689 526771597 /nfs/dbraw/zinc/77/15/97/526771597.db2.gz ORMLETOCINRABK-IAGOWNOFSA-N 1 3 310.482 2.400 20 30 DEEDHO C=CC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000248481379 527210713 /nfs/dbraw/zinc/21/07/13/527210713.db2.gz BEHRQUXHXZLWQE-AKHDSKFASA-N 1 3 300.446 2.424 20 30 DEEDHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCC(=O)N(C)CCC#N ZINC000348300746 528181847 /nfs/dbraw/zinc/18/18/47/528181847.db2.gz CKAOIURXYSTLGF-IAGOWNOFSA-N 1 3 322.497 2.239 20 30 DEEDHO C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001368730516 1148622388 /nfs/dbraw/zinc/62/23/88/1148622388.db2.gz IRRKTJAIZFZFDX-GJZGRUSLSA-N 1 3 315.889 2.345 20 30 DEEDHO C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001368730516 1148622389 /nfs/dbraw/zinc/62/23/89/1148622389.db2.gz IRRKTJAIZFZFDX-GJZGRUSLSA-N 1 3 315.889 2.345 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001023633501 625363330 /nfs/dbraw/zinc/36/33/30/625363330.db2.gz ZGUYFFNOOHWBTK-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001023633501 625363341 /nfs/dbraw/zinc/36/33/41/625363341.db2.gz ZGUYFFNOOHWBTK-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001023632926 625365060 /nfs/dbraw/zinc/36/50/60/625365060.db2.gz RXEXBWROXDAGKX-MSOLQXFVSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001023632926 625365062 /nfs/dbraw/zinc/36/50/62/625365062.db2.gz RXEXBWROXDAGKX-MSOLQXFVSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(Cl)C[NH2+]C1CCC(NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001026561045 625523216 /nfs/dbraw/zinc/52/32/16/625523216.db2.gz MBLIJQPQWKFUJM-NFOMZHRRSA-N 1 3 313.873 2.240 20 30 DEEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000998763160 634398813 /nfs/dbraw/zinc/39/88/13/634398813.db2.gz LUQDQBPMTJXSPF-NRXISQOPSA-N 1 3 313.873 2.191 20 30 DEEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998763160 634398818 /nfs/dbraw/zinc/39/88/18/634398818.db2.gz LUQDQBPMTJXSPF-NRXISQOPSA-N 1 3 313.873 2.191 20 30 DEEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001024436423 625762797 /nfs/dbraw/zinc/76/27/97/625762797.db2.gz CVUBSWDMPQRPKY-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001024436423 625762800 /nfs/dbraw/zinc/76/28/00/625762800.db2.gz CVUBSWDMPQRPKY-IRXDYDNUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001024469519 625799811 /nfs/dbraw/zinc/79/98/11/625799811.db2.gz SBARDBMMEHPACM-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001024469519 625799821 /nfs/dbraw/zinc/79/98/21/625799821.db2.gz SBARDBMMEHPACM-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024503296 625821718 /nfs/dbraw/zinc/82/17/18/625821718.db2.gz ZJRGIUIHDWVENR-QGZVFWFLSA-N 1 3 319.493 2.409 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[C@H]1C ZINC000947615267 625863265 /nfs/dbraw/zinc/86/32/65/625863265.db2.gz HBSWICWKWCJMDU-CVEARBPZSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[C@H]1C ZINC000947615267 625863268 /nfs/dbraw/zinc/86/32/68/625863268.db2.gz HBSWICWKWCJMDU-CVEARBPZSA-N 1 3 307.482 2.406 20 30 DEEDHO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000921585950 633736232 /nfs/dbraw/zinc/73/62/32/633736232.db2.gz HBCIGYMLFJVFOL-QGZVFWFLSA-N 1 3 301.434 2.112 20 30 DEEDHO C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC000997588059 633888398 /nfs/dbraw/zinc/88/83/98/633888398.db2.gz VFEKNXXUQJEVDT-WMZOPIPTSA-N 1 3 319.493 2.099 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3nc[nH]c3C)C[C@@H]2C1 ZINC000980235118 634904108 /nfs/dbraw/zinc/90/41/08/634904108.db2.gz ZOULYOCRFBQQCV-ARFHVFGLSA-N 1 3 316.449 2.053 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3nc[nH]c3C)C[C@@H]2C1 ZINC000980235118 634904111 /nfs/dbraw/zinc/90/41/11/634904111.db2.gz ZOULYOCRFBQQCV-ARFHVFGLSA-N 1 3 316.449 2.053 20 30 DEEDHO C=CCCN1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000981438169 635482977 /nfs/dbraw/zinc/48/29/77/635482977.db2.gz KGVMEFNZMRLUIE-IAGOWNOFSA-N 1 3 305.466 2.114 20 30 DEEDHO C=CCCN1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000981438169 635482980 /nfs/dbraw/zinc/48/29/80/635482980.db2.gz KGVMEFNZMRLUIE-IAGOWNOFSA-N 1 3 305.466 2.114 20 30 DEEDHO C=CCN1CCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001028204671 635822330 /nfs/dbraw/zinc/82/23/30/635822330.db2.gz BAOWUIIPCLDNIT-KRWDZBQOSA-N 1 3 301.434 2.128 20 30 DEEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028253921 635964358 /nfs/dbraw/zinc/96/43/58/635964358.db2.gz JHVBVGUHAYQAOZ-GOSISDBHSA-N 1 3 319.493 2.265 20 30 DEEDHO C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001003742720 636045117 /nfs/dbraw/zinc/04/51/17/636045117.db2.gz ZSVFTQZTVCGXEY-KRWDZBQOSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCN1CCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001028335463 636135935 /nfs/dbraw/zinc/13/59/35/636135935.db2.gz VVNJTMMOMNINGG-INIZCTEOSA-N 1 3 301.434 2.128 20 30 DEEDHO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982520299 636216607 /nfs/dbraw/zinc/21/66/07/636216607.db2.gz QFVVMSJQGHRIBB-QRQLOZEOSA-N 1 3 321.509 2.319 20 30 DEEDHO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982520299 636216612 /nfs/dbraw/zinc/21/66/12/636216612.db2.gz QFVVMSJQGHRIBB-QRQLOZEOSA-N 1 3 321.509 2.319 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004458813 636459696 /nfs/dbraw/zinc/45/96/96/636459696.db2.gz QWKSIFYPNHJZAM-MSOLQXFVSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004458813 636459701 /nfs/dbraw/zinc/45/97/01/636459701.db2.gz QWKSIFYPNHJZAM-MSOLQXFVSA-N 1 3 319.493 2.216 20 30 DEEDHO C[NH+]=C(NCC1CCSCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000086899628 636978083 /nfs/dbraw/zinc/97/80/83/636978083.db2.gz PRLWFJOXZYUTPL-INIZCTEOSA-N 1 3 324.538 2.265 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000907403128 644532261 /nfs/dbraw/zinc/53/22/61/644532261.db2.gz DOZCWQLGVKSFAQ-WMZOPIPTSA-N 1 3 315.461 2.131 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@@H](C)C1 ZINC000942052289 649143183 /nfs/dbraw/zinc/14/31/83/649143183.db2.gz DVUNPHUYXSRTSV-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@@H](C)C1 ZINC000942052289 649143186 /nfs/dbraw/zinc/14/31/86/649143186.db2.gz DVUNPHUYXSRTSV-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@@H](C)C1 ZINC000942053836 649145051 /nfs/dbraw/zinc/14/50/51/649145051.db2.gz UVYADNWTIMIYDG-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@@H](C)C1 ZINC000942053836 649145053 /nfs/dbraw/zinc/14/50/53/649145053.db2.gz UVYADNWTIMIYDG-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)c1ccc(C)cc1 ZINC000304750107 685259111 /nfs/dbraw/zinc/25/91/11/685259111.db2.gz IDWMBZIENFTLPO-RDJZCZTQSA-N 1 3 302.466 2.487 20 30 DEEDHO CCO[C@@H]1C[C@H](NC(=[NH2+])NC[C@H]2CCCN2CC)C12CCCC2 ZINC000304757958 685259756 /nfs/dbraw/zinc/25/97/56/685259756.db2.gz PLBDICHZYHPQOR-OWCLPIDISA-N 1 3 322.497 2.113 20 30 DEEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001054199388 693879908 /nfs/dbraw/zinc/87/99/08/693879908.db2.gz VOUWVMYPWWNNCE-WMZOPIPTSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001054199388 693879910 /nfs/dbraw/zinc/87/99/10/693879910.db2.gz VOUWVMYPWWNNCE-WMZOPIPTSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001054192305 693876258 /nfs/dbraw/zinc/87/62/58/693876258.db2.gz USJKRABTFOKSFJ-AEFFLSMTSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001054192305 693876259 /nfs/dbraw/zinc/87/62/59/693876259.db2.gz USJKRABTFOKSFJ-AEFFLSMTSA-N 1 3 307.482 2.073 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOc1ccc(Cl)cc1 ZINC000303772970 685233613 /nfs/dbraw/zinc/23/36/13/685233613.db2.gz DYOMAYNAKYMHDX-AWEZNQCLSA-N 1 3 324.856 2.107 20 30 DEEDHO C[C@H](CNC(=[NH2+])NCCc1ccccc1)N1CCC[C@H](C)C1 ZINC000303880308 685237971 /nfs/dbraw/zinc/23/79/71/685237971.db2.gz HCJZYORYYZUHIW-JKSUJKDBSA-N 1 3 302.466 2.254 20 30 DEEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001017550291 687911340 /nfs/dbraw/zinc/91/13/40/687911340.db2.gz WWIKHUDPNRARGQ-XDNAFOTISA-N 1 3 317.477 2.112 20 30 DEEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001017550291 687911344 /nfs/dbraw/zinc/91/13/44/687911344.db2.gz WWIKHUDPNRARGQ-XDNAFOTISA-N 1 3 317.477 2.112 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033145575 689404194 /nfs/dbraw/zinc/40/41/94/689404194.db2.gz IGFHBOBGHLOKIE-DLBZAZTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033145575 689404196 /nfs/dbraw/zinc/40/41/96/689404196.db2.gz IGFHBOBGHLOKIE-DLBZAZTESA-N 1 3 307.482 2.358 20 30 DEEDHO C#CCCN1CC[C@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034006315 689690161 /nfs/dbraw/zinc/69/01/61/689690161.db2.gz ZTYAACCBQFOFPL-SFHVURJKSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001034330970 689811677 /nfs/dbraw/zinc/81/16/77/689811677.db2.gz QQBMOKJWOVCEGS-QZTJIDSGSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001034330970 689811682 /nfs/dbraw/zinc/81/16/82/689811682.db2.gz QQBMOKJWOVCEGS-QZTJIDSGSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035228572 690066463 /nfs/dbraw/zinc/06/64/63/690066463.db2.gz UECRUYVAXYFTFI-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035228572 690066464 /nfs/dbraw/zinc/06/64/64/690066464.db2.gz UECRUYVAXYFTFI-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035724149 690161739 /nfs/dbraw/zinc/16/17/39/690161739.db2.gz RUXFNPXPIBMLQL-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036736273 690452496 /nfs/dbraw/zinc/45/24/96/690452496.db2.gz XNJMRPISLXHTQG-IRXDYDNUSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036736273 690452500 /nfs/dbraw/zinc/45/25/00/690452500.db2.gz XNJMRPISLXHTQG-IRXDYDNUSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001036737777 690454267 /nfs/dbraw/zinc/45/42/67/690454267.db2.gz WDURUJOKEMOULB-SJLPKXTDSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001036737777 690454271 /nfs/dbraw/zinc/45/42/71/690454271.db2.gz WDURUJOKEMOULB-SJLPKXTDSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001036853988 690499788 /nfs/dbraw/zinc/49/97/88/690499788.db2.gz CHNBQLIHGPXXMF-QZTJIDSGSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001036853988 690499789 /nfs/dbraw/zinc/49/97/89/690499789.db2.gz CHNBQLIHGPXXMF-QZTJIDSGSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039137110 691030999 /nfs/dbraw/zinc/03/09/99/691030999.db2.gz MKKNHEHGDBNQBO-QGZVFWFLSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039137110 691031002 /nfs/dbraw/zinc/03/10/02/691031002.db2.gz MKKNHEHGDBNQBO-QGZVFWFLSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCN1CCC(C)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001045585144 692001048 /nfs/dbraw/zinc/00/10/48/692001048.db2.gz NZJQUVUYFLKXJS-HZPDHXFCSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCN1CCC(C)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001045585144 692001050 /nfs/dbraw/zinc/00/10/50/692001050.db2.gz NZJQUVUYFLKXJS-HZPDHXFCSA-N 1 3 305.466 2.160 20 30 DEEDHO C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001050554332 693205677 /nfs/dbraw/zinc/20/56/77/693205677.db2.gz TZYRICZGKMIIPX-INIZCTEOSA-N 1 3 307.482 2.073 20 30 DEEDHO N#Cc1cccc(CN2CCC(N[C@H]3CC[NH2+]C34CCC4)CC2)c1 ZINC000925702071 693326389 /nfs/dbraw/zinc/32/63/89/693326389.db2.gz KHOSCIUOLIHJTM-IBGZPJMESA-N 1 3 324.472 2.397 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001052427168 693531841 /nfs/dbraw/zinc/53/18/41/693531841.db2.gz WNBXSBUUIDAXRR-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001052427168 693531844 /nfs/dbraw/zinc/53/18/44/693531844.db2.gz WNBXSBUUIDAXRR-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001052764688 693615006 /nfs/dbraw/zinc/61/50/06/693615006.db2.gz QRUYOFNGLMNEJV-ROUUACIJSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001052764688 693615007 /nfs/dbraw/zinc/61/50/07/693615007.db2.gz QRUYOFNGLMNEJV-ROUUACIJSA-N 1 3 319.493 2.243 20 30 DEEDHO C=CCCC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC001353509223 1151835121 /nfs/dbraw/zinc/83/51/21/1151835121.db2.gz WTESBXVLMAXEGN-DLBZAZTESA-N 1 3 303.450 2.398 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001400075496 1161647628 /nfs/dbraw/zinc/64/76/28/1161647628.db2.gz AEPXTBGOJSXLSN-DZGCQCFKSA-N 1 3 315.889 2.296 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN(C)C1CCC1 ZINC001420087185 1169153429 /nfs/dbraw/zinc/15/34/29/1169153429.db2.gz MILIVWVNDDPYRM-HIFRSBDPSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001425950113 1174531359 /nfs/dbraw/zinc/53/13/59/1174531359.db2.gz HJTBPZFRSROJKK-KBPBESRZSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CNC1CC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001426225583 1174659082 /nfs/dbraw/zinc/65/90/82/1174659082.db2.gz LFTOFVKTIDVMNF-SLTAFYQDSA-N 1 3 313.873 2.192 20 30 DEEDHO C=C(Cl)CNC1CC(N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001426225583 1174659085 /nfs/dbraw/zinc/65/90/85/1174659085.db2.gz LFTOFVKTIDVMNF-SLTAFYQDSA-N 1 3 313.873 2.192 20 30 DEEDHO C=CCC[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104287977 776898357 /nfs/dbraw/zinc/89/83/57/776898357.db2.gz OKLFICUYTPFSOA-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001112530064 778621925 /nfs/dbraw/zinc/62/19/25/778621925.db2.gz BJJPTTSTWHJKDU-LPHOPBHVSA-N 1 3 319.493 2.123 20 30 DEEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001088424668 780106683 /nfs/dbraw/zinc/10/66/83/780106683.db2.gz CLDZQDXHFCPINF-GJZGRUSLSA-N 1 3 313.873 2.051 20 30 DEEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001088424668 780106688 /nfs/dbraw/zinc/10/66/88/780106688.db2.gz CLDZQDXHFCPINF-GJZGRUSLSA-N 1 3 313.873 2.051 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001085284567 783619156 /nfs/dbraw/zinc/61/91/56/783619156.db2.gz BTSJKTGFQIAUHS-KURKYZTESA-N 1 3 319.493 2.454 20 30 DEEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001085629049 783904454 /nfs/dbraw/zinc/90/44/54/783904454.db2.gz KRVKCCNSHSYSKC-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001085629049 783904459 /nfs/dbraw/zinc/90/44/59/783904459.db2.gz KRVKCCNSHSYSKC-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCN1CCC ZINC001085629049 783904462 /nfs/dbraw/zinc/90/44/62/783904462.db2.gz KRVKCCNSHSYSKC-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCN1CCC ZINC001085629049 783904466 /nfs/dbraw/zinc/90/44/66/783904466.db2.gz KRVKCCNSHSYSKC-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000967709215 784098981 /nfs/dbraw/zinc/09/89/81/784098981.db2.gz XLRTXYWQDJOUKK-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000967709215 784098989 /nfs/dbraw/zinc/09/89/89/784098989.db2.gz XLRTXYWQDJOUKK-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)CC1)C2 ZINC001108786324 785534261 /nfs/dbraw/zinc/53/42/61/785534261.db2.gz XLFUTIHPUZBXSG-KSZLIROESA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCC)C2 ZINC001108803044 785545333 /nfs/dbraw/zinc/54/53/33/785545333.db2.gz UWRTWVDXWYFRIJ-BBWFWOEESA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001086558571 786231865 /nfs/dbraw/zinc/23/18/65/786231865.db2.gz BXKCPUYGVGSTGI-KKUMJFAQSA-N 1 3 313.873 2.098 20 30 DEEDHO C=CCC[C@H](C)N1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001112979835 786340717 /nfs/dbraw/zinc/34/07/17/786340717.db2.gz IYYJSGASMNRKTA-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[C@H](C)N1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001112979835 786340725 /nfs/dbraw/zinc/34/07/25/786340725.db2.gz IYYJSGASMNRKTA-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CN1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132519030 788106492 /nfs/dbraw/zinc/10/64/92/788106492.db2.gz RNYOREUJFBIEJL-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001086943473 791857739 /nfs/dbraw/zinc/85/77/39/791857739.db2.gz VMPAUVBJRWONIO-IRXDYDNUSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001101267336 793089870 /nfs/dbraw/zinc/08/98/70/793089870.db2.gz ALWQHKKWLDROBE-LMMKCTJWSA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001101267336 793089880 /nfs/dbraw/zinc/08/98/80/793089880.db2.gz ALWQHKKWLDROBE-LMMKCTJWSA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101443725 793164390 /nfs/dbraw/zinc/16/43/90/793164390.db2.gz PTBGFLXODJUQLR-SCTDSRPQSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101443725 793164395 /nfs/dbraw/zinc/16/43/95/793164395.db2.gz PTBGFLXODJUQLR-SCTDSRPQSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)(C)C1)C2 ZINC001094999613 793566705 /nfs/dbraw/zinc/56/67/05/793566705.db2.gz KASOOUUUBPRHJM-BBWFWOEESA-N 1 3 319.493 2.264 20 30 DEEDHO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001176760440 794498392 /nfs/dbraw/zinc/49/83/92/794498392.db2.gz WOPYXHUQJHLLSD-SJORKVTESA-N 1 3 307.482 2.149 20 30 DEEDHO C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001112413427 794628974 /nfs/dbraw/zinc/62/89/74/794628974.db2.gz NMUAGYYNHZQFIG-LNLFQRSKSA-N 1 3 321.509 2.367 20 30 DEEDHO C#CCC[NH2+]CCCCCCNC(=O)CN(C)CC(C)(C)C ZINC001179592441 795139881 /nfs/dbraw/zinc/13/98/81/795139881.db2.gz BUCREPWEDQZXJE-UHFFFAOYSA-N 1 3 309.498 2.254 20 30 DEEDHO C=C(Cl)C[NH2+]CCCCCCNC(=O)CN1CC[C@H](C)C1 ZINC001179585230 795146220 /nfs/dbraw/zinc/14/62/20/795146220.db2.gz DNPSWUJAUNTMFH-AWEZNQCLSA-N 1 3 315.889 2.347 20 30 DEEDHO C=C(Cl)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120130080 795409865 /nfs/dbraw/zinc/40/98/65/795409865.db2.gz UVEANAIHCRTENI-AWEZNQCLSA-N 1 3 313.873 2.099 20 30 DEEDHO C=C(Cl)CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120130080 795409872 /nfs/dbraw/zinc/40/98/72/795409872.db2.gz UVEANAIHCRTENI-AWEZNQCLSA-N 1 3 313.873 2.099 20 30 DEEDHO C#CCC[NH2+]C1(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CCCCC1 ZINC001120190098 795419646 /nfs/dbraw/zinc/41/96/46/795419646.db2.gz ROCUUDHFFWRLFI-IRXDYDNUSA-N 1 3 319.493 2.291 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001120440640 795460683 /nfs/dbraw/zinc/46/06/83/795460683.db2.gz QHSZUOBGJHISEJ-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001120440640 795460686 /nfs/dbraw/zinc/46/06/86/795460686.db2.gz QHSZUOBGJHISEJ-QZTJIDSGSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001120440639 795460697 /nfs/dbraw/zinc/46/06/97/795460697.db2.gz QHSZUOBGJHISEJ-MSOLQXFVSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001120440639 795460701 /nfs/dbraw/zinc/46/07/01/795460701.db2.gz QHSZUOBGJHISEJ-MSOLQXFVSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001120450046 795463439 /nfs/dbraw/zinc/46/34/39/795463439.db2.gz RSZDQAXPTZRWED-ZWKOTPCHSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001120450046 795463443 /nfs/dbraw/zinc/46/34/43/795463443.db2.gz RSZDQAXPTZRWED-ZWKOTPCHSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCCC[C@@H](N)C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC001121923319 795704907 /nfs/dbraw/zinc/70/49/07/795704907.db2.gz XMKZMSRALVNKDO-OAHLLOKOSA-N 1 3 319.453 2.080 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001185359974 796238572 /nfs/dbraw/zinc/23/85/72/796238572.db2.gz MTETYYXCFIZBQU-QZTJIDSGSA-N 1 3 321.509 2.369 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203029615 796516078 /nfs/dbraw/zinc/51/60/78/796516078.db2.gz UKWDSEGSPTVBLB-LSDHHAIUSA-N 1 3 305.466 2.064 20 30 DEEDHO C=CCN(C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191542868 797220247 /nfs/dbraw/zinc/22/02/47/797220247.db2.gz JIKKRZLBXTYXRG-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001195817377 797960545 /nfs/dbraw/zinc/96/05/45/797960545.db2.gz PWNYDALBKWYXRO-KRWDZBQOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001195817377 797960546 /nfs/dbraw/zinc/96/05/46/797960546.db2.gz PWNYDALBKWYXRO-KRWDZBQOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001158472949 798412941 /nfs/dbraw/zinc/41/29/41/798412941.db2.gz GXSSPXYHFOEJAB-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001158472949 798412944 /nfs/dbraw/zinc/41/29/44/798412944.db2.gz GXSSPXYHFOEJAB-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@H+]1CC=C(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001160386334 798682800 /nfs/dbraw/zinc/68/28/00/798682800.db2.gz UGKGQRHLJRQWAB-UHFFFAOYSA-N 1 3 305.466 2.185 20 30 DEEDHO C=CCC[N@@H+]1CC=C(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001160386334 798682801 /nfs/dbraw/zinc/68/28/01/798682801.db2.gz UGKGQRHLJRQWAB-UHFFFAOYSA-N 1 3 305.466 2.185 20 30 DEEDHO C=CCC[N@H+]1CC=C(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001161207763 798810781 /nfs/dbraw/zinc/81/07/81/798810781.db2.gz VXRBKFDNQPUZAF-MRXNPFEDSA-N 1 3 305.466 2.185 20 30 DEEDHO C=CCC[N@@H+]1CC=C(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001161207763 798810786 /nfs/dbraw/zinc/81/07/86/798810786.db2.gz VXRBKFDNQPUZAF-MRXNPFEDSA-N 1 3 305.466 2.185 20 30 DEEDHO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)N(C)C ZINC001114410135 799093087 /nfs/dbraw/zinc/09/30/87/799093087.db2.gz UEHAELKFMCXWKP-MLHJIOFPSA-N 1 3 319.493 2.119 20 30 DEEDHO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)N(C)C ZINC001114410135 799093094 /nfs/dbraw/zinc/09/30/94/799093094.db2.gz UEHAELKFMCXWKP-MLHJIOFPSA-N 1 3 319.493 2.119 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203792088 800123360 /nfs/dbraw/zinc/12/33/60/800123360.db2.gz NGVYTOMOQOPEDM-KBPBESRZSA-N 1 3 313.873 2.096 20 30 DEEDHO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3cnccc3N)C2)cc1 ZINC001209733380 801268703 /nfs/dbraw/zinc/26/87/03/801268703.db2.gz VEPDHVMWSMDRJY-KRWDZBQOSA-N 1 3 308.385 2.409 20 30 DEEDHO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3cnccc3N)C2)cc1 ZINC001209733380 801268707 /nfs/dbraw/zinc/26/87/07/801268707.db2.gz VEPDHVMWSMDRJY-KRWDZBQOSA-N 1 3 308.385 2.409 20 30 DEEDHO C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001211257308 801537345 /nfs/dbraw/zinc/53/73/45/801537345.db2.gz QJOPJWYFIJBTST-DLBZAZTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](F)CN(CC)CC ZINC001234642787 802438209 /nfs/dbraw/zinc/43/82/09/802438209.db2.gz KWWOPERXFYTIKG-CVEARBPZSA-N 1 3 313.461 2.165 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](F)CN(CC)CC ZINC001234642787 802438214 /nfs/dbraw/zinc/43/82/14/802438214.db2.gz KWWOPERXFYTIKG-CVEARBPZSA-N 1 3 313.461 2.165 20 30 DEEDHO C=C(Cl)CN[C@H](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001418422859 1167644333 /nfs/dbraw/zinc/64/43/33/1167644333.db2.gz BHCUJQNUHVJPGC-CQSZACIVSA-N 1 3 315.889 2.344 20 30 DEEDHO C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001328765703 1148832803 /nfs/dbraw/zinc/83/28/03/1148832803.db2.gz NPHJHCXQDPBDEM-GDBMZVCRSA-N 1 3 304.438 2.230 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001328765703 1148832806 /nfs/dbraw/zinc/83/28/06/1148832806.db2.gz NPHJHCXQDPBDEM-GDBMZVCRSA-N 1 3 304.438 2.230 20 30 DEEDHO C#CC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C1CCCC1 ZINC001500087487 1058481246 /nfs/dbraw/zinc/48/12/46/1058481246.db2.gz APVHLOGJMKONNJ-QGZVFWFLSA-N 1 3 319.493 2.149 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001502829013 1060335861 /nfs/dbraw/zinc/33/58/61/1060335861.db2.gz LXCKVTXGDKRHBF-CVEARBPZSA-N 1 3 309.498 2.365 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001502829013 1060335880 /nfs/dbraw/zinc/33/58/80/1060335880.db2.gz LXCKVTXGDKRHBF-CVEARBPZSA-N 1 3 309.498 2.365 20 30 DEEDHO C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001505436640 1060594724 /nfs/dbraw/zinc/59/47/24/1060594724.db2.gz BBLVZQDLWXXQOQ-IRXDYDNUSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001505436640 1060594739 /nfs/dbraw/zinc/59/47/39/1060594739.db2.gz BBLVZQDLWXXQOQ-IRXDYDNUSA-N 1 3 307.482 2.216 20 30 DEEDHO C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCN2CCC)C1 ZINC001479687381 1061599802 /nfs/dbraw/zinc/59/98/02/1061599802.db2.gz GARYNMJUSBPHDJ-ZWKOTPCHSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CCN(CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001493006869 1063473191 /nfs/dbraw/zinc/47/31/91/1063473191.db2.gz VZSDEPPLEVFMCO-KRWDZBQOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN(CC)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001493006869 1063473202 /nfs/dbraw/zinc/47/32/02/1063473202.db2.gz VZSDEPPLEVFMCO-KRWDZBQOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[NH2+]CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001493694998 1063922451 /nfs/dbraw/zinc/92/24/51/1063922451.db2.gz CETYBUYNVKOLGL-KRWDZBQOSA-N 1 3 313.461 2.213 20 30 DEEDHO C=CCN[C@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001493894214 1064014772 /nfs/dbraw/zinc/01/47/72/1064014772.db2.gz JJOVJAHKKOUFTR-QGZVFWFLSA-N 1 3 313.445 2.248 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001494082460 1064118007 /nfs/dbraw/zinc/11/80/07/1064118007.db2.gz GXUGNTMIVXCBAV-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001494082460 1064118012 /nfs/dbraw/zinc/11/80/12/1064118012.db2.gz GXUGNTMIVXCBAV-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001568393763 1064832117 /nfs/dbraw/zinc/83/21/17/1064832117.db2.gz RWXDRVXSNQXOBS-INIZCTEOSA-N 1 3 304.438 2.279 20 30 DEEDHO C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001568401569 1064838101 /nfs/dbraw/zinc/83/81/01/1064838101.db2.gz VSMCUFAVTPDPAH-LSDHHAIUSA-N 1 3 313.873 2.051 20 30 DEEDHO C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001568401569 1064838115 /nfs/dbraw/zinc/83/81/15/1064838115.db2.gz VSMCUFAVTPDPAH-LSDHHAIUSA-N 1 3 313.873 2.051 20 30 DEEDHO C=CCCC[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001496410091 1065453649 /nfs/dbraw/zinc/45/36/49/1065453649.db2.gz BDBYRVYHOJMWHY-INIZCTEOSA-N 1 3 304.438 2.279 20 30 DEEDHO C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001496914786 1065800305 /nfs/dbraw/zinc/80/03/05/1065800305.db2.gz ARYPTEYRTBFGGX-MSOLQXFVSA-N 1 3 315.461 2.422 20 30 DEEDHO CCCCCCCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001498978313 1066997349 /nfs/dbraw/zinc/99/73/49/1066997349.db2.gz AWHHXJKWOARILN-IXDOHACOSA-N 1 3 309.498 2.488 20 30 DEEDHO CCCCCCCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001498978313 1066997355 /nfs/dbraw/zinc/99/73/55/1066997355.db2.gz AWHHXJKWOARILN-IXDOHACOSA-N 1 3 309.498 2.488 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001266995525 1078488163 /nfs/dbraw/zinc/48/81/63/1078488163.db2.gz UTHHZCGRMSFKIK-MRXNPFEDSA-N 1 3 321.509 2.252 20 30 DEEDHO C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001499482345 1067233888 /nfs/dbraw/zinc/23/38/88/1067233888.db2.gz VAFUTQTUTCUDFZ-MSOLQXFVSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001499482345 1067233895 /nfs/dbraw/zinc/23/38/95/1067233895.db2.gz VAFUTQTUTCUDFZ-MSOLQXFVSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001499835751 1067353389 /nfs/dbraw/zinc/35/33/89/1067353389.db2.gz PEFNDWCADDURPH-JKSUJKDBSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[NH2+]C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C1CC1 ZINC001483591201 1078614877 /nfs/dbraw/zinc/61/48/77/1078614877.db2.gz AWWDICBVMUIMNF-NVXWUHKLSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCC[NH+]1CCC([C@H](C)NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001571650562 1068459732 /nfs/dbraw/zinc/45/97/32/1068459732.db2.gz XSXYVEYDJVQLJZ-CVEARBPZSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CC[N@@H+](C)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001267603579 1079164443 /nfs/dbraw/zinc/16/44/43/1079164443.db2.gz VALKZPREDMLJOS-KRWDZBQOSA-N 1 3 321.509 2.465 20 30 DEEDHO C=C(C)CC[N@H+](C)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001267603579 1079164447 /nfs/dbraw/zinc/16/44/47/1079164447.db2.gz VALKZPREDMLJOS-KRWDZBQOSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001566745688 1074995766 /nfs/dbraw/zinc/99/57/66/1074995766.db2.gz RQCPKVXHYHWZKK-IRXDYDNUSA-N 1 3 309.498 2.319 20 30 DEEDHO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001566745688 1074995771 /nfs/dbraw/zinc/99/57/71/1074995771.db2.gz RQCPKVXHYHWZKK-IRXDYDNUSA-N 1 3 309.498 2.319 20 30 DEEDHO CCC#C[C@@H](C)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC001559480906 1075126042 /nfs/dbraw/zinc/12/60/42/1075126042.db2.gz VLXKMUYUSIADNB-QGZVFWFLSA-N 1 3 321.509 2.348 20 30 DEEDHO CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H](CC)N(C)C ZINC001565987113 1075212969 /nfs/dbraw/zinc/21/29/69/1075212969.db2.gz BMGBXZBTOSHFTP-KZNAEPCWSA-N 1 3 321.509 2.347 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1CCC ZINC001566972837 1075404077 /nfs/dbraw/zinc/40/40/77/1075404077.db2.gz NHUXMSYWIUWUMM-QXDIGNSFSA-N 1 3 319.493 2.262 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1CCC ZINC001566972837 1075404079 /nfs/dbraw/zinc/40/40/79/1075404079.db2.gz NHUXMSYWIUWUMM-QXDIGNSFSA-N 1 3 319.493 2.262 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCCCC)C2)CC1 ZINC001267754636 1079455572 /nfs/dbraw/zinc/45/55/72/1079455572.db2.gz RHRUICSKLLLSAL-GOSISDBHSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCCCCC)C2)CC1 ZINC001267754636 1079455577 /nfs/dbraw/zinc/45/55/77/1079455577.db2.gz RHRUICSKLLLSAL-GOSISDBHSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCC[N@@H+](CCCNC(=O)[C@@H]1CCCCN1CC)C(C)C ZINC001481358561 1079753508 /nfs/dbraw/zinc/75/35/08/1079753508.db2.gz VHQYSHGEMMEPHH-KRWDZBQOSA-N 1 3 307.482 2.101 20 30 DEEDHO C#CCC[N@H+](CCCNC(=O)[C@@H]1CCCCN1CC)C(C)C ZINC001481358561 1079753514 /nfs/dbraw/zinc/75/35/14/1079753514.db2.gz VHQYSHGEMMEPHH-KRWDZBQOSA-N 1 3 307.482 2.101 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001481510579 1079972927 /nfs/dbraw/zinc/97/29/27/1079972927.db2.gz YZYOTECHKBCPSK-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001481510579 1079972932 /nfs/dbraw/zinc/97/29/32/1079972932.db2.gz YZYOTECHKBCPSK-DLBZAZTESA-N 1 3 307.482 2.217 20 30 DEEDHO CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001656909883 1080138713 /nfs/dbraw/zinc/13/87/13/1080138713.db2.gz SIPPSGMVSQHFTH-ZWKOTPCHSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCN2CCC)C1 ZINC001485506826 1080268137 /nfs/dbraw/zinc/26/81/37/1080268137.db2.gz QXYYWFWJBAKKGK-DOTOQJQBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN1CC([C@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001485536718 1080291396 /nfs/dbraw/zinc/29/13/96/1080291396.db2.gz BQKFFRJHKQFUBE-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001661555418 1080492906 /nfs/dbraw/zinc/49/29/06/1080492906.db2.gz MGWZLSDDLLARGW-DOTOQJQBSA-N 1 3 316.449 2.231 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001661555418 1080492914 /nfs/dbraw/zinc/49/29/14/1080492914.db2.gz MGWZLSDDLLARGW-DOTOQJQBSA-N 1 3 316.449 2.231 20 30 DEEDHO C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001667285479 1081233747 /nfs/dbraw/zinc/23/37/47/1081233747.db2.gz SBIPJVFWAGRPGN-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[NH2+]CCN(CC)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001668555921 1081367797 /nfs/dbraw/zinc/36/77/97/1081367797.db2.gz ZKDAKTYQJCLVOW-KRWDZBQOSA-N 1 3 313.461 2.213 20 30 DEEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)N1CCCC1)C2 ZINC001095812364 1081408169 /nfs/dbraw/zinc/40/81/69/1081408169.db2.gz KLKOKCHEMVOVLX-OWSLCNJRSA-N 1 3 317.477 2.158 20 30 DEEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)N1CCCC1)C2 ZINC001095812364 1081408171 /nfs/dbraw/zinc/40/81/71/1081408171.db2.gz KLKOKCHEMVOVLX-OWSLCNJRSA-N 1 3 317.477 2.158 20 30 DEEDHO C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)CC1 ZINC001672373315 1081589300 /nfs/dbraw/zinc/58/93/00/1081589300.db2.gz SKLLDHZRYQWQCT-QAQDUYKDSA-N 1 3 319.493 2.006 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001672966080 1081727565 /nfs/dbraw/zinc/72/75/65/1081727565.db2.gz ZOHVXCPCZJECLZ-WKILWMFISA-N 1 3 307.482 2.311 20 30 DEEDHO CC#CC[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCCC1)C(C)C ZINC001482530594 1082164639 /nfs/dbraw/zinc/16/46/39/1082164639.db2.gz CVDMGMOCVNWJQP-INIZCTEOSA-N 1 3 307.482 2.005 20 30 DEEDHO C=CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C1CC1 ZINC001670555689 1082179411 /nfs/dbraw/zinc/17/94/11/1082179411.db2.gz CEFPHIDQVVCVHH-SJORKVTESA-N 1 3 307.482 2.167 20 30 DEEDHO C#CCC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1CC ZINC001670586984 1082189235 /nfs/dbraw/zinc/18/92/35/1082189235.db2.gz DHFAOKQVWOCXRM-DLBZAZTESA-N 1 3 321.509 2.204 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001482685328 1082481064 /nfs/dbraw/zinc/48/10/64/1082481064.db2.gz OILVGCAVZYQRGL-HZPDHXFCSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(Cl)C[NH2+]CC1CC(NC(=O)CN(C)CC(C)(C)C)C1 ZINC001409311325 1082757764 /nfs/dbraw/zinc/75/77/64/1082757764.db2.gz SFUMHQOYYJYJMV-UHFFFAOYSA-N 1 3 315.889 2.201 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438919 1083396354 /nfs/dbraw/zinc/39/63/54/1083396354.db2.gz MWRQWAZYECNKOW-ZIFCJYIRSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438919 1083396364 /nfs/dbraw/zinc/39/63/64/1083396364.db2.gz MWRQWAZYECNKOW-ZIFCJYIRSA-N 1 3 319.493 2.264 20 30 DEEDHO C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001272786711 1084053546 /nfs/dbraw/zinc/05/35/46/1084053546.db2.gz UBXRFHOELSALLZ-VPLLLXJESA-N 1 3 319.493 2.147 20 30 DEEDHO C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001277937458 1084387825 /nfs/dbraw/zinc/38/78/25/1084387825.db2.gz FCNCTDVRAJSVBM-WMLDXEAASA-N 1 3 313.461 2.212 20 30 DEEDHO C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)CN2CCCC2)CC1 ZINC000964393473 1085203089 /nfs/dbraw/zinc/20/30/89/1085203089.db2.gz SEYPFKREOOGUGR-UHFFFAOYSA-N 1 3 313.873 2.194 20 30 DEEDHO C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001486437880 1085313457 /nfs/dbraw/zinc/31/34/57/1085313457.db2.gz MVTPVDVCHBOBNB-ZBFHGGJFSA-N 1 3 313.461 2.069 20 30 DEEDHO C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001486518855 1085402572 /nfs/dbraw/zinc/40/25/72/1085402572.db2.gz AAJUDANPTALAOY-QGZVFWFLSA-N 1 3 307.482 2.287 20 30 DEEDHO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001486518855 1085402574 /nfs/dbraw/zinc/40/25/74/1085402574.db2.gz AAJUDANPTALAOY-QGZVFWFLSA-N 1 3 307.482 2.287 20 30 DEEDHO C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961181309 1085627104 /nfs/dbraw/zinc/62/71/04/1085627104.db2.gz JDAPGCMIWHGABT-IAGOWNOFSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961181309 1085627106 /nfs/dbraw/zinc/62/71/06/1085627106.db2.gz JDAPGCMIWHGABT-IAGOWNOFSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961235289 1085647399 /nfs/dbraw/zinc/64/73/99/1085647399.db2.gz WIILHMQBLPSRPL-JKSUJKDBSA-N 1 3 316.449 2.089 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961235289 1085647408 /nfs/dbraw/zinc/64/74/08/1085647408.db2.gz WIILHMQBLPSRPL-JKSUJKDBSA-N 1 3 316.449 2.089 20 30 DEEDHO C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCN3C(C)C)C2)C1 ZINC000963787150 1086559223 /nfs/dbraw/zinc/55/92/23/1086559223.db2.gz GVFUVJWWJBAFGF-LMBQMVEXSA-N 1 3 305.466 2.062 20 30 DEEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084405583 1090290454 /nfs/dbraw/zinc/29/04/54/1090290454.db2.gz UNPIPKNWGNGUFT-KZNAEPCWSA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084405583 1090290460 /nfs/dbraw/zinc/29/04/60/1090290460.db2.gz UNPIPKNWGNGUFT-KZNAEPCWSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001274919762 1091478582 /nfs/dbraw/zinc/47/85/82/1091478582.db2.gz QTWMZAKPHXCZAV-PBHICJAKSA-N 1 3 313.461 2.259 20 30 DEEDHO C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001671086019 1091763752 /nfs/dbraw/zinc/76/37/52/1091763752.db2.gz UUCVJZWBMIOJFW-HKUYNNGSSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001671086019 1091763755 /nfs/dbraw/zinc/76/37/55/1091763755.db2.gz UUCVJZWBMIOJFW-HKUYNNGSSA-N 1 3 321.509 2.463 20 30 DEEDHO CC#CCNC[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001278004939 1138406333 /nfs/dbraw/zinc/40/63/33/1138406333.db2.gz HVIGIHBDESYENI-ROUUACIJSA-N 1 3 319.493 2.101 20 30 DEEDHO CCCCCCCNC(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001239307335 1139018183 /nfs/dbraw/zinc/01/81/83/1139018183.db2.gz AMHPOSAFGLCEIF-MRXNPFEDSA-N 1 3 312.502 2.282 20 30 DEEDHO C=CCC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001318684951 1140384843 /nfs/dbraw/zinc/38/48/43/1140384843.db2.gz CCLJPSCKAPHGRX-WMZOPIPTSA-N 1 3 307.482 2.310 20 30 DEEDHO CC#CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1CCCCC1 ZINC001319662983 1140651637 /nfs/dbraw/zinc/65/16/37/1140651637.db2.gz KZAZYYUQHJJDIT-ROUUACIJSA-N 1 3 321.509 2.251 20 30 DEEDHO CCCCCCCC[C@@H](O)C[NH2+]CCN1CCCN(C)CC1 ZINC001252133312 1142650239 /nfs/dbraw/zinc/65/02/39/1142650239.db2.gz IFAWUJCSSMXNLS-GOSISDBHSA-N 1 3 313.530 2.325 20 30 DEEDHO C#CC(CC)(CC)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252915737 1142829757 /nfs/dbraw/zinc/82/97/57/1142829757.db2.gz KVQOYWJJKAXWSJ-IBGZPJMESA-N 1 3 300.446 2.405 20 30 DEEDHO C#CC(CC)(CC)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252915737 1142829758 /nfs/dbraw/zinc/82/97/58/1142829758.db2.gz KVQOYWJJKAXWSJ-IBGZPJMESA-N 1 3 300.446 2.405 20 30 DEEDHO C=CCCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001341805037 1143714565 /nfs/dbraw/zinc/71/45/65/1143714565.db2.gz HPGZFIQBQWUJSE-MSOLQXFVSA-N 1 3 315.461 2.403 20 30 DEEDHO C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001263864023 1144415752 /nfs/dbraw/zinc/41/57/52/1144415752.db2.gz LRAHTIKIKHLKHJ-BZUAXINKSA-N 1 3 307.482 2.310 20 30 DEEDHO C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001264127448 1144478010 /nfs/dbraw/zinc/47/80/10/1144478010.db2.gz FTURWJGQFNCRGN-QZTJIDSGSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CCN1CCC(N(CCC)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001265340279 1144695927 /nfs/dbraw/zinc/69/59/27/1144695927.db2.gz LXSMZZVAZHKETC-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001282716233 1145141638 /nfs/dbraw/zinc/14/16/38/1145141638.db2.gz HZRGHWSYYDIYIA-LSDHHAIUSA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(Cl)CN[C@@H](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001366512195 1147318937 /nfs/dbraw/zinc/31/89/37/1147318937.db2.gz MSFUQDIZEMYCFK-AWEZNQCLSA-N 1 3 301.862 2.099 20 30 DEEDHO C=C(Cl)CN[C@H](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001366512198 1147319018 /nfs/dbraw/zinc/31/90/18/1147319018.db2.gz MSFUQDIZEMYCFK-CQSZACIVSA-N 1 3 301.862 2.099 20 30 DEEDHO C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001316690045 1147319364 /nfs/dbraw/zinc/31/93/64/1147319364.db2.gz ZMHAUWOBDHOBOH-UKRRQHHQSA-N 1 3 315.889 2.297 20 30 DEEDHO C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317047066 1147652981 /nfs/dbraw/zinc/65/29/81/1147652981.db2.gz GROWYRLRDJJTOR-HSFUPAIVSA-N 1 3 319.493 2.357 20 30 DEEDHO C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317047066 1147652983 /nfs/dbraw/zinc/65/29/83/1147652983.db2.gz GROWYRLRDJJTOR-HSFUPAIVSA-N 1 3 319.493 2.357 20 30 DEEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCCC1 ZINC001318228385 1147801280 /nfs/dbraw/zinc/80/12/80/1147801280.db2.gz JWNKDSMLWXFGTK-IRXDYDNUSA-N 1 3 305.466 2.114 20 30 DEEDHO C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001326522459 1148128904 /nfs/dbraw/zinc/12/89/04/1148128904.db2.gz UUXVPLFKTPJDRM-KZNAEPCWSA-N 1 3 319.493 2.149 20 30 DEEDHO CN1CCN(CC2(C)CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC000339089338 530071720 /nfs/dbraw/zinc/07/17/20/530071720.db2.gz RSAIEODOAODKEW-IAGOWNOFSA-N 1 3 304.482 2.028 20 30 DEEDHO [NH2+]=C(NCCN1CCCCCC1)N[C@@H]1CCOc2ccccc21 ZINC000083031557 355462577 /nfs/dbraw/zinc/46/25/77/355462577.db2.gz VEWWQSXYJXTPRU-MRXNPFEDSA-N 1 3 316.449 2.291 20 30 DEEDHO C[C@H](N)C[C@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593323577 358054456 /nfs/dbraw/zinc/05/44/56/358054456.db2.gz QHIUJTQYVHAEOK-GJZGRUSLSA-N 1 3 300.450 2.238 20 30 DEEDHO C[C@@H](NC1CCN(Cc2cccc(C#N)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000593321949 358054910 /nfs/dbraw/zinc/05/49/10/358054910.db2.gz JZTLPHOFXCNMOQ-DNVCBOLYSA-N 1 3 312.461 2.253 20 30 DEEDHO N#Cc1cccc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000268953758 207119586 /nfs/dbraw/zinc/11/95/86/207119586.db2.gz FPENTORKPFHHDB-RBUKOAKNSA-N 1 3 313.445 2.416 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(CSC)c1 ZINC000187852480 285253844 /nfs/dbraw/zinc/25/38/44/285253844.db2.gz RZNVQNZOPSFGRQ-MRXNPFEDSA-N 1 3 320.506 2.438 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000115823646 401837762 /nfs/dbraw/zinc/83/77/62/401837762.db2.gz YDCNZGZCTCFQMN-MRXNPFEDSA-N 1 3 322.497 2.010 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000115823646 401837763 /nfs/dbraw/zinc/83/77/63/401837763.db2.gz YDCNZGZCTCFQMN-MRXNPFEDSA-N 1 3 322.497 2.010 20 30 DEEDHO C=CCN1CCC(NC(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000185665768 402368046 /nfs/dbraw/zinc/36/80/46/402368046.db2.gz JHLDTNDLIFAPCT-UHFFFAOYSA-N 1 3 322.497 2.058 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000246396691 402529335 /nfs/dbraw/zinc/52/93/35/402529335.db2.gz SWOCHVZHAQPPGB-DOTOQJQBSA-N 1 3 322.497 2.009 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000246396691 402529337 /nfs/dbraw/zinc/52/93/37/402529337.db2.gz SWOCHVZHAQPPGB-DOTOQJQBSA-N 1 3 322.497 2.009 20 30 DEEDHO C=CCN1CCC(NC(=O)NCC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC000172264950 402647309 /nfs/dbraw/zinc/64/73/09/402647309.db2.gz LQYVPRNZPQKSMZ-KRWDZBQOSA-N 1 3 322.497 2.201 20 30 DEEDHO C=CCN1CCC(NC(=O)NCC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC000172264950 402647311 /nfs/dbraw/zinc/64/73/11/402647311.db2.gz LQYVPRNZPQKSMZ-KRWDZBQOSA-N 1 3 322.497 2.201 20 30 DEEDHO N#Cc1ccc(CC(C#N)C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000279691788 402961231 /nfs/dbraw/zinc/96/12/31/402961231.db2.gz FYKNPTNFVDFUOH-SFHVURJKSA-N 1 3 324.428 2.233 20 30 DEEDHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280500037 403006540 /nfs/dbraw/zinc/00/65/40/403006540.db2.gz WMEPAFVLRBDHGQ-QZTJIDSGSA-N 1 3 324.428 2.183 20 30 DEEDHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(C#N)c(OC)c1 ZINC000281672717 403080653 /nfs/dbraw/zinc/08/06/53/403080653.db2.gz LRGNKLCYHNYOOO-MRXNPFEDSA-N 1 3 305.422 2.013 20 30 DEEDHO CCCCNC(=[NH2+])NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000283983541 403236619 /nfs/dbraw/zinc/23/66/19/403236619.db2.gz LPMWGHKNJOAOCH-UHFFFAOYSA-N 1 3 318.465 2.364 20 30 DEEDHO C=CCC[C@@H](O)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000305078368 403822171 /nfs/dbraw/zinc/82/21/71/403822171.db2.gz LRPZBYHYRRFFKB-SOLBZPMBSA-N 1 3 310.482 2.135 20 30 DEEDHO C=CCC[C@H](O)CN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348332449 404060342 /nfs/dbraw/zinc/06/03/42/404060342.db2.gz UTTQMZAMWUOWMD-FHWLQOOXSA-N 1 3 300.446 2.377 20 30 DEEDHO C=CCC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CC1 ZINC000414204020 404547228 /nfs/dbraw/zinc/54/72/28/404547228.db2.gz VZEZHANWIQDXCX-GOSISDBHSA-N 1 3 321.509 2.117 20 30 DEEDHO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000643793689 407046754 /nfs/dbraw/zinc/04/67/54/407046754.db2.gz FZOPTWKWOOVVHC-WMZOPIPTSA-N 1 3 304.434 2.308 20 30 DEEDHO CN(C)C(=[NH+]Cc1ccc(OC2CCN(C)CC2)cc1)N(C)C ZINC000261740171 225254280 /nfs/dbraw/zinc/25/42/80/225254280.db2.gz IJLJEKCJXWJFFV-UHFFFAOYSA-N 1 3 318.465 2.139 20 30 DEEDHO C[C@H](C[C@H](C)N)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000423055210 230332676 /nfs/dbraw/zinc/33/26/76/230332676.db2.gz CXDYJBDBHBHQMD-LOCSVTFISA-N 1 3 302.422 2.359 20 30 DEEDHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000348269039 266509619 /nfs/dbraw/zinc/50/96/19/266509619.db2.gz QGZHOQPMQQGYSK-RCCFBDPRSA-N 1 3 324.428 2.230 20 30 DEEDHO Cc1cc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)ccc1C#N ZINC000444000129 533687335 /nfs/dbraw/zinc/68/73/35/533687335.db2.gz CZHKWVZDESVIDX-KRWDZBQOSA-N 1 3 313.445 2.457 20 30 DEEDHO CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353241163 276335651 /nfs/dbraw/zinc/33/56/51/276335651.db2.gz LBFXGWRLSITUIG-FUHWJXTLSA-N 1 3 301.434 2.492 20 30 DEEDHO CN1CCC(N2CCC([NH2+][C@@H]3CCC[C@@H](C#N)C3)CC2)CC1 ZINC000192787213 289882391 /nfs/dbraw/zinc/88/23/91/289882391.db2.gz MDJKLTUUSMKLQK-NVXWUHKLSA-N 1 3 304.482 2.217 20 30 DEEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)[C@H]1C ZINC001088970998 782090740 /nfs/dbraw/zinc/09/07/40/782090740.db2.gz XGRGLPDFNHOJDX-SQNIBIBYSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)[C@H]1C ZINC001088970998 782090749 /nfs/dbraw/zinc/09/07/49/782090749.db2.gz XGRGLPDFNHOJDX-SQNIBIBYSA-N 1 3 319.493 2.243 20 30 DEEDHO C=C1CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CC1 ZINC000583271899 337297948 /nfs/dbraw/zinc/29/79/48/337297948.db2.gz SQXQUJBJAFLMPR-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCN1CCC(NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548061903 341245303 /nfs/dbraw/zinc/24/53/03/341245303.db2.gz NMFFWTBVJHPFIX-UHFFFAOYSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN1CCC(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548061903 341245304 /nfs/dbraw/zinc/24/53/04/341245304.db2.gz NMFFWTBVJHPFIX-UHFFFAOYSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[C@H]([NH3+])C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC001357428314 1152297671 /nfs/dbraw/zinc/29/76/71/1152297671.db2.gz LSBAZCHHCDFJIR-GJZGRUSLSA-N 1 3 317.433 2.026 20 30 DEEDHO C[NH+]=C(NC[C@H](C)N1CCCC[C@@H]1C)NC[C@@H]1CCCS1 ZINC000261978978 526375018 /nfs/dbraw/zinc/37/50/18/526375018.db2.gz OLIDEKCJAOKGRZ-KKUMJFAQSA-N 1 3 312.527 2.310 20 30 DEEDHO C=CC[C@H](CC)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000341425632 527145794 /nfs/dbraw/zinc/14/57/94/527145794.db2.gz BAQKNQDGSAMHIQ-DLBZAZTESA-N 1 3 324.513 2.399 20 30 DEEDHO C=CC[C@H](CC)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000341425632 527145802 /nfs/dbraw/zinc/14/58/02/527145802.db2.gz BAQKNQDGSAMHIQ-DLBZAZTESA-N 1 3 324.513 2.399 20 30 DEEDHO C#C[C@H](NC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)C(C)C ZINC000262065484 527314154 /nfs/dbraw/zinc/31/41/54/527314154.db2.gz CHLKXRUDOJJOKC-SFHVURJKSA-N 1 3 312.461 2.213 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccccc2)CC1 ZINC000264064991 529071442 /nfs/dbraw/zinc/07/14/42/529071442.db2.gz DVTWFAJZTXSHRE-MRXNPFEDSA-N 1 3 300.450 2.107 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001330467969 1149149355 /nfs/dbraw/zinc/14/93/55/1149149355.db2.gz OBWBAKXVAQARRF-BBWFWOEESA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001330467969 1149149366 /nfs/dbraw/zinc/14/93/66/1149149366.db2.gz OBWBAKXVAQARRF-BBWFWOEESA-N 1 3 319.493 2.264 20 30 DEEDHO CC#CCN1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632382 625364540 /nfs/dbraw/zinc/36/45/40/625364540.db2.gz LLHQVZZMZGLQQX-QZTJIDSGSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CCN1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023632382 625364543 /nfs/dbraw/zinc/36/45/43/625364543.db2.gz LLHQVZZMZGLQQX-QZTJIDSGSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001023632382 625364545 /nfs/dbraw/zinc/36/45/45/625364545.db2.gz LLHQVZZMZGLQQX-QZTJIDSGSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001023632382 625364548 /nfs/dbraw/zinc/36/45/48/625364548.db2.gz LLHQVZZMZGLQQX-QZTJIDSGSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC001026591071 625547707 /nfs/dbraw/zinc/54/77/07/625547707.db2.gz OEEFCYCMWXUUAJ-ABHNRTSZSA-N 1 3 319.493 2.291 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CCC)CC1 ZINC000969156578 622596872 /nfs/dbraw/zinc/59/68/72/622596872.db2.gz XAAZOBJDFFQHHH-GOSISDBHSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CCC)CC1 ZINC000969156578 622596877 /nfs/dbraw/zinc/59/68/77/622596877.db2.gz XAAZOBJDFFQHHH-GOSISDBHSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC000970719254 623639262 /nfs/dbraw/zinc/63/92/62/623639262.db2.gz PGTXXMUDXQKVBJ-AEFFLSMTSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970719254 623639264 /nfs/dbraw/zinc/63/92/64/623639264.db2.gz PGTXXMUDXQKVBJ-AEFFLSMTSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000971542149 624184956 /nfs/dbraw/zinc/18/49/56/624184956.db2.gz ZLOHOIQNEQZWBY-AEFFLSMTSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000971542149 624184957 /nfs/dbraw/zinc/18/49/57/624184957.db2.gz ZLOHOIQNEQZWBY-AEFFLSMTSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001022855701 625031950 /nfs/dbraw/zinc/03/19/50/625031950.db2.gz DABUYKWUSQPERZ-IYBDPMFKSA-N 1 3 321.852 2.351 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001023363890 625238901 /nfs/dbraw/zinc/23/89/01/625238901.db2.gz DXENGVNAERORBV-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001023363890 625238908 /nfs/dbraw/zinc/23/89/08/625238908.db2.gz DXENGVNAERORBV-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001024448097 625773008 /nfs/dbraw/zinc/77/30/08/625773008.db2.gz BYGBFUGAEJKAEG-YESZJQIVSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001024448097 625773010 /nfs/dbraw/zinc/77/30/10/625773010.db2.gz BYGBFUGAEJKAEG-YESZJQIVSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(Cl)CNC1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999225365 634516258 /nfs/dbraw/zinc/51/62/58/634516258.db2.gz ULRJDHFBOYNCJB-UHFFFAOYSA-N 1 3 313.873 2.192 20 30 DEEDHO C=CC[NH2+][C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC1(C)C ZINC000996663438 633338262 /nfs/dbraw/zinc/33/82/62/633338262.db2.gz OQEOYRRHBKJFIV-KRWDZBQOSA-N 1 3 315.461 2.374 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027877710 634845800 /nfs/dbraw/zinc/84/58/00/634845800.db2.gz ABTFLZQJRKIDRI-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027877710 634845802 /nfs/dbraw/zinc/84/58/02/634845802.db2.gz ABTFLZQJRKIDRI-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000980471749 635012991 /nfs/dbraw/zinc/01/29/91/635012991.db2.gz PDSPWTKKLUKBFD-QGZVFWFLSA-N 1 3 301.434 2.081 20 30 DEEDHO C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000980471749 635012992 /nfs/dbraw/zinc/01/29/92/635012992.db2.gz PDSPWTKKLUKBFD-QGZVFWFLSA-N 1 3 301.434 2.081 20 30 DEEDHO C=CCCN1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000981438168 635483046 /nfs/dbraw/zinc/48/30/46/635483046.db2.gz KGVMEFNZMRLUIE-DLBZAZTESA-N 1 3 305.466 2.114 20 30 DEEDHO C=CCCN1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000981438168 635483047 /nfs/dbraw/zinc/48/30/47/635483047.db2.gz KGVMEFNZMRLUIE-DLBZAZTESA-N 1 3 305.466 2.114 20 30 DEEDHO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000982009112 635808253 /nfs/dbraw/zinc/80/82/53/635808253.db2.gz FVIASOBPDBMHBB-UHFFFAOYSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)C[N@H+]1CCCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000982009112 635808257 /nfs/dbraw/zinc/80/82/57/635808257.db2.gz FVIASOBPDBMHBB-UHFFFAOYSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCC[N@H+]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000982084679 635856721 /nfs/dbraw/zinc/85/67/21/635856721.db2.gz XSUBTRALXWFECT-QGZVFWFLSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000982084679 635856723 /nfs/dbraw/zinc/85/67/23/635856723.db2.gz XSUBTRALXWFECT-QGZVFWFLSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC000982163488 635890627 /nfs/dbraw/zinc/89/06/27/635890627.db2.gz CJKWYFLNXFZKAI-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC000982163488 635890631 /nfs/dbraw/zinc/89/06/31/635890631.db2.gz CJKWYFLNXFZKAI-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccc(C#N)s1)C2 ZINC000922386581 636151895 /nfs/dbraw/zinc/15/18/95/636151895.db2.gz GKIXFEJXKFYEBU-WCXIOVBPSA-N 1 3 319.474 2.189 20 30 DEEDHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccc(C#N)s1)C2 ZINC000922386581 636151898 /nfs/dbraw/zinc/15/18/98/636151898.db2.gz GKIXFEJXKFYEBU-WCXIOVBPSA-N 1 3 319.474 2.189 20 30 DEEDHO C=C(C)CC[NH+]1CCC(N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001005991549 637046080 /nfs/dbraw/zinc/04/60/80/637046080.db2.gz OUNDJLZZPGTLRM-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C[C@H](CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)N(C)C ZINC000895291723 637891591 /nfs/dbraw/zinc/89/15/91/637891591.db2.gz BYRNYBHSJHWLKF-OAHLLOKOSA-N 1 3 300.450 2.457 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000763970955 640590805 /nfs/dbraw/zinc/59/08/05/640590805.db2.gz JRYKDCYATDYLOS-KRWDZBQOSA-N 1 3 303.450 2.086 20 30 DEEDHO Cc1c(C[C@H](C[NH3+])CN[C@@H](C)c2cccc(C#N)c2)cnn1C ZINC000903950822 643527281 /nfs/dbraw/zinc/52/72/81/643527281.db2.gz RNFXNHZVCFXXIN-XJKSGUPXSA-N 1 3 311.433 2.068 20 30 DEEDHO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945028579 649600133 /nfs/dbraw/zinc/60/01/33/649600133.db2.gz JTYLEOXMSVDVAT-YJBOKZPZSA-N 1 3 315.461 2.374 20 30 DEEDHO C=CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945028579 649600136 /nfs/dbraw/zinc/60/01/36/649600136.db2.gz JTYLEOXMSVDVAT-YJBOKZPZSA-N 1 3 315.461 2.374 20 30 DEEDHO C#CCN1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000948575171 649650467 /nfs/dbraw/zinc/65/04/67/649650467.db2.gz QTELGCVOYWXCBD-QZTJIDSGSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCN1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948575171 649650468 /nfs/dbraw/zinc/65/04/68/649650468.db2.gz QTELGCVOYWXCBD-QZTJIDSGSA-N 1 3 319.493 2.053 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC000854514681 651493107 /nfs/dbraw/zinc/49/31/07/651493107.db2.gz HDGGPUZUJHFUQD-SJLPKXTDSA-N 1 3 313.445 2.247 20 30 DEEDHO CCO[C@H](CCNC(=[NH2+])NC[C@@H]1CCCN1CC)C1CCCC1 ZINC000304473879 685255253 /nfs/dbraw/zinc/25/52/53/685255253.db2.gz FUSPKGBQBFCNAR-DLBZAZTESA-N 1 3 324.513 2.360 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccccc1C ZINC000304813453 685261718 /nfs/dbraw/zinc/26/17/18/685261718.db2.gz YZGUCZHSEAIORY-HOTGVXAUSA-N 1 3 318.465 2.151 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001016860959 687720906 /nfs/dbraw/zinc/72/09/06/687720906.db2.gz LHKDQHMREYLXFX-IRXDYDNUSA-N 1 3 319.493 2.406 20 30 DEEDHO N#CC[C@@H](O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000930564796 694190120 /nfs/dbraw/zinc/19/01/20/694190120.db2.gz NMVHQJQJURPQQT-GOSISDBHSA-N 1 3 313.445 2.249 20 30 DEEDHO CC1(C#N)CCC([NH2+]Cc2cccc(-n3cc(CN)nn3)c2)CC1 ZINC000873243440 689192145 /nfs/dbraw/zinc/19/21/45/689192145.db2.gz KXBATDAEBRYFNQ-UHFFFAOYSA-N 1 3 324.432 2.288 20 30 DEEDHO C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001034204702 689761367 /nfs/dbraw/zinc/76/13/67/689761367.db2.gz PGFAGKGBDDVCGF-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001034204702 689761371 /nfs/dbraw/zinc/76/13/71/689761371.db2.gz PGFAGKGBDDVCGF-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001034439268 689851174 /nfs/dbraw/zinc/85/11/74/689851174.db2.gz SSRAQDNSZFCMRK-ZWKOTPCHSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001034439268 689851178 /nfs/dbraw/zinc/85/11/78/689851178.db2.gz SSRAQDNSZFCMRK-ZWKOTPCHSA-N 1 3 319.493 2.245 20 30 DEEDHO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000876709260 689911518 /nfs/dbraw/zinc/91/15/18/689911518.db2.gz NHGIACFLTFNXJQ-HOTGVXAUSA-N 1 3 323.868 2.438 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000876773950 689933562 /nfs/dbraw/zinc/93/35/62/689933562.db2.gz ZGECCRFGUAJQGU-JKSUJKDBSA-N 1 3 321.852 2.189 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000876773950 689933564 /nfs/dbraw/zinc/93/35/64/689933564.db2.gz ZGECCRFGUAJQGU-JKSUJKDBSA-N 1 3 321.852 2.189 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001034796951 689949483 /nfs/dbraw/zinc/94/94/83/689949483.db2.gz RTOYUZJKHZKPDC-QAETUUGQSA-N 1 3 307.482 2.452 20 30 DEEDHO C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccccc2CN(C)C)CC1 ZINC001034795628 689949768 /nfs/dbraw/zinc/94/97/68/689949768.db2.gz MTLLZTLKVFUTSA-QAQDUYKDSA-N 1 3 313.445 2.012 20 30 DEEDHO C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001035196571 690056219 /nfs/dbraw/zinc/05/62/19/690056219.db2.gz PATZGZWRYJYZGZ-KRWDZBQOSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001035196571 690056223 /nfs/dbraw/zinc/05/62/23/690056223.db2.gz PATZGZWRYJYZGZ-KRWDZBQOSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCN1CC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCCC1)CC2 ZINC001035704874 690156142 /nfs/dbraw/zinc/15/61/42/690156142.db2.gz MIXMKNAYFQNQIN-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035722441 690160906 /nfs/dbraw/zinc/16/09/06/690160906.db2.gz UKLQECDQHUEYBF-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[NH+]1CC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035797179 690178618 /nfs/dbraw/zinc/17/86/18/690178618.db2.gz FDINOBAQLYLSKC-UHFFFAOYSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@H]21 ZINC001036820579 690485754 /nfs/dbraw/zinc/48/57/54/690485754.db2.gz LHKYGCIBNGHRFR-DLBZAZTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@H]21 ZINC001036820579 690485757 /nfs/dbraw/zinc/48/57/57/690485757.db2.gz LHKYGCIBNGHRFR-DLBZAZTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038246093 690756103 /nfs/dbraw/zinc/75/61/03/690756103.db2.gz BOPGUIASWQRGFG-SJLPKXTDSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038246093 690756105 /nfs/dbraw/zinc/75/61/05/690756105.db2.gz BOPGUIASWQRGFG-SJLPKXTDSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040240150 691218463 /nfs/dbraw/zinc/21/84/63/691218463.db2.gz CHSYFRPJJNDATP-IEBWSBKVSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040240150 691218466 /nfs/dbraw/zinc/21/84/66/691218466.db2.gz CHSYFRPJJNDATP-IEBWSBKVSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040395435 691242615 /nfs/dbraw/zinc/24/26/15/691242615.db2.gz PYINEJARSARNSX-HKUYNNGSSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040395435 691242619 /nfs/dbraw/zinc/24/26/19/691242619.db2.gz PYINEJARSARNSX-HKUYNNGSSA-N 1 3 319.493 2.219 20 30 DEEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001040727490 691282942 /nfs/dbraw/zinc/28/29/42/691282942.db2.gz RWRHOOHFGHCRLC-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[C@@H]([NH2+]CCCN1CCN(CC)CC1)[C@H]1CCCO1 ZINC000883172303 691447876 /nfs/dbraw/zinc/44/78/76/691447876.db2.gz CWQOWXTXRYISFF-QZTJIDSGSA-N 1 3 309.498 2.117 20 30 DEEDHO C=CCC[C@@H](COc1ccccc1)[NH2+]CC1(O)CCN(C)CC1 ZINC000883191446 691453316 /nfs/dbraw/zinc/45/33/16/691453316.db2.gz BFTWGGFGLJLSSV-KRWDZBQOSA-N 1 3 318.461 2.447 20 30 DEEDHO C=CCN1CCC(C)(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001045609171 692004596 /nfs/dbraw/zinc/00/45/96/692004596.db2.gz WCTICAUJSNEHHV-UHFFFAOYSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045942814 692058848 /nfs/dbraw/zinc/05/88/48/692058848.db2.gz AFLUHOYTQRHABV-PKOBYXMFSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045942814 692058850 /nfs/dbraw/zinc/05/88/50/692058850.db2.gz AFLUHOYTQRHABV-PKOBYXMFSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001045948153 692061051 /nfs/dbraw/zinc/06/10/51/692061051.db2.gz WNXIEECKCFQVDA-SJLPKXTDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001045948153 692061053 /nfs/dbraw/zinc/06/10/53/692061053.db2.gz WNXIEECKCFQVDA-SJLPKXTDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045969398 692065690 /nfs/dbraw/zinc/06/56/90/692065690.db2.gz PRUJXCYCBCAGOU-GOSISDBHSA-N 1 3 316.449 2.233 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045969398 692065693 /nfs/dbraw/zinc/06/56/93/692065693.db2.gz PRUJXCYCBCAGOU-GOSISDBHSA-N 1 3 316.449 2.233 20 30 DEEDHO C#CCN(C(=O)CN(C)CCCCCC)C1CC[NH+](C)CC1 ZINC000886582128 692117612 /nfs/dbraw/zinc/11/76/12/692117612.db2.gz HDKDUFTZRKSXCG-UHFFFAOYSA-N 1 3 307.482 2.055 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C1 ZINC001049059907 692753754 /nfs/dbraw/zinc/75/37/54/692753754.db2.gz JQDHJSJQGRNOKZ-CALCHBBNSA-N 1 3 319.493 2.075 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C1 ZINC001049059907 692753755 /nfs/dbraw/zinc/75/37/55/692753755.db2.gz JQDHJSJQGRNOKZ-CALCHBBNSA-N 1 3 319.493 2.075 20 30 DEEDHO C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)CC1 ZINC001050765473 693247185 /nfs/dbraw/zinc/24/71/85/693247185.db2.gz RNANWMYCQUEROX-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(Cl)CN[C@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001402286657 1162315431 /nfs/dbraw/zinc/31/54/31/1162315431.db2.gz CWVWQOTYXAEVTK-HUUCEWRRSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CN[C@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001402286657 1162315435 /nfs/dbraw/zinc/31/54/35/1162315435.db2.gz CWVWQOTYXAEVTK-HUUCEWRRSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)CN2CCCC2)CC1 ZINC001408006510 1165430435 /nfs/dbraw/zinc/43/04/35/1165430435.db2.gz VAOXZMZXBMTULW-UHFFFAOYSA-N 1 3 313.873 2.196 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001436367804 1179064365 /nfs/dbraw/zinc/06/43/65/1179064365.db2.gz NNRHSNQMTWZKMD-GASCZTMLSA-N 1 3 313.873 2.099 20 30 DEEDHO C=C(Cl)CN[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001438805697 1180818453 /nfs/dbraw/zinc/81/84/53/1180818453.db2.gz QHMGXGWBSFFRDU-HUUCEWRRSA-N 1 3 315.889 2.342 20 30 DEEDHO C=C(Cl)CN[C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001438805697 1180818456 /nfs/dbraw/zinc/81/84/56/1180818456.db2.gz QHMGXGWBSFFRDU-HUUCEWRRSA-N 1 3 315.889 2.342 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1CC ZINC001446017155 1184180783 /nfs/dbraw/zinc/18/07/83/1184180783.db2.gz SJUXDCKRXJKHJB-CABCVRRESA-N 1 3 315.889 2.296 20 30 DEEDHO C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001104812739 778194227 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C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001088326808 779960861 /nfs/dbraw/zinc/96/08/61/779960861.db2.gz YAYFWMIYGDBHNG-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCCN1C ZINC001089659074 783329345 /nfs/dbraw/zinc/32/93/45/783329345.db2.gz SBJOHQPVDQOINY-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCCN1C ZINC001089659074 783329357 /nfs/dbraw/zinc/32/93/57/783329357.db2.gz SBJOHQPVDQOINY-DLBZAZTESA-N 1 3 319.493 2.101 20 30 DEEDHO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001085284714 783619488 /nfs/dbraw/zinc/61/94/88/783619488.db2.gz IVXOLZKGDJQRDP-BRWVUGGUSA-N 1 3 305.466 2.064 20 30 DEEDHO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC001114920987 784489210 /nfs/dbraw/zinc/48/92/10/784489210.db2.gz DYQSLFSGAYTINV-BDXSIMOUSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC001114920987 784489216 /nfs/dbraw/zinc/48/92/16/784489216.db2.gz DYQSLFSGAYTINV-BDXSIMOUSA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001086497185 784794416 /nfs/dbraw/zinc/79/44/16/784794416.db2.gz AMAPFDCZYVCXHP-BRWVUGGUSA-N 1 3 307.482 2.310 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001108704286 785495041 /nfs/dbraw/zinc/49/50/41/785495041.db2.gz HAEVOYFIPZMRBQ-JZXOWHBKSA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001108702914 785501043 /nfs/dbraw/zinc/50/10/43/785501043.db2.gz GHEAIADFHPAIOO-BBWFWOEESA-N 1 3 319.493 2.406 20 30 DEEDHO C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)CC1)C2 ZINC001108786323 785533883 /nfs/dbraw/zinc/53/38/83/785533883.db2.gz XLFUTIHPUZBXSG-BZSNNMDCSA-N 1 3 319.493 2.264 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108831697 785559293 /nfs/dbraw/zinc/55/92/93/785559293.db2.gz IZWDBBOEZPUMIR-ZNMIVQPWSA-N 1 3 313.873 2.048 20 30 DEEDHO C=CCCN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001014731179 786729440 /nfs/dbraw/zinc/72/94/40/786729440.db2.gz ZNVYYYWKUZJBFO-RDJZCZTQSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCCN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001014731179 786729450 /nfs/dbraw/zinc/72/94/50/786729450.db2.gz ZNVYYYWKUZJBFO-RDJZCZTQSA-N 1 3 305.466 2.160 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C ZINC001132888312 788219152 /nfs/dbraw/zinc/21/91/52/788219152.db2.gz MBXVWFVWZVYBMY-HOTGVXAUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)CC[C@@H]1C ZINC001132937040 788231228 /nfs/dbraw/zinc/23/12/28/788231228.db2.gz FVKZDHJTQYXTGV-JKSUJKDBSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N(C)CC)CC[C@H]1C ZINC001132937249 788231275 /nfs/dbraw/zinc/23/12/75/788231275.db2.gz IZMFQMRKKBNELJ-CVEARBPZSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CC[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C ZINC001133123047 788288809 /nfs/dbraw/zinc/28/88/09/788288809.db2.gz XYZUPKQGHLBJRA-CVEARBPZSA-N 1 3 309.498 2.225 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133345928 788375262 /nfs/dbraw/zinc/37/52/62/788375262.db2.gz IHABEUKTCLYWJQ-IRXDYDNUSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134584782 788989164 /nfs/dbraw/zinc/98/91/64/788989164.db2.gz XAXFRIYBGFQREO-CHWSQXEVSA-N 1 3 301.862 2.096 20 30 DEEDHO C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CCCCCC ZINC001135690901 789450672 /nfs/dbraw/zinc/45/06/72/789450672.db2.gz LOWTZKXIAOFAPI-SJORKVTESA-N 1 3 309.498 2.395 20 30 DEEDHO C=CCCC[N@H+]1CCC2(CN(C(=O)C(C)(C)N(C)CC)C2)C1 ZINC001147809836 791620217 /nfs/dbraw/zinc/62/02/17/791620217.db2.gz IXGQUWAIXPOIJU-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)N(C)CC)C2)C1 ZINC001147809836 791620220 /nfs/dbraw/zinc/62/02/20/791620220.db2.gz IXGQUWAIXPOIJU-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO CCCCCCC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001148351990 791735922 /nfs/dbraw/zinc/73/59/22/791735922.db2.gz WWNXSJIRBJRTBI-UHFFFAOYSA-N 1 3 318.465 2.457 20 30 DEEDHO CCCCCCC[N@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001148351990 791735926 /nfs/dbraw/zinc/73/59/26/791735926.db2.gz WWNXSJIRBJRTBI-UHFFFAOYSA-N 1 3 318.465 2.457 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101363938 793133818 /nfs/dbraw/zinc/13/38/18/793133818.db2.gz GZQOJEAZBFIAHP-LMMKCTJWSA-N 1 3 319.493 2.075 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101363938 793133824 /nfs/dbraw/zinc/13/38/24/793133824.db2.gz GZQOJEAZBFIAHP-LMMKCTJWSA-N 1 3 319.493 2.075 20 30 DEEDHO CC(C)N1CCN(CC[NH2+][C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172302674 793393346 /nfs/dbraw/zinc/39/33/46/793393346.db2.gz ORFJUAJCTHIQCG-QGZVFWFLSA-N 1 3 314.477 2.105 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N(C)CC)C1 ZINC001103156816 793960889 /nfs/dbraw/zinc/96/08/89/793960889.db2.gz XWNJDTUVZDTVEK-HZPDHXFCSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N(C)CC)C1 ZINC001103156816 793960892 /nfs/dbraw/zinc/96/08/92/793960892.db2.gz XWNJDTUVZDTVEK-HZPDHXFCSA-N 1 3 309.498 2.367 20 30 DEEDHO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175295130 794169194 /nfs/dbraw/zinc/16/91/94/794169194.db2.gz BLNDGYCZZZJWIB-MRXNPFEDSA-N 1 3 309.498 2.252 20 30 DEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001176925788 794530211 /nfs/dbraw/zinc/53/02/11/794530211.db2.gz BRKVIJDJKHLYFG-QGZVFWFLSA-N 1 3 321.509 2.110 20 30 DEEDHO C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C1CCC1)C2 ZINC001112401463 794623362 /nfs/dbraw/zinc/62/33/62/794623362.db2.gz FZZPGOBCWPJZAL-LPHOPBHVSA-N 1 3 319.493 2.265 20 30 DEEDHO C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCCN2CCC)CCCCC1 ZINC001115563634 794822483 /nfs/dbraw/zinc/82/24/83/794822483.db2.gz YTJYAVKERMOACN-KRWDZBQOSA-N 1 3 319.493 2.293 20 30 DEEDHO C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001179746491 795171014 /nfs/dbraw/zinc/17/10/14/795171014.db2.gz VOZNAGLMORRIQC-KRWDZBQOSA-N 1 3 307.482 2.149 20 30 DEEDHO C#CC[NH2+]CCCCCCNC(=O)CN(C)CCCCCC ZINC001179838788 795185285 /nfs/dbraw/zinc/18/52/85/795185285.db2.gz PWLQENKWBBLXRN-UHFFFAOYSA-N 1 3 309.498 2.398 20 30 DEEDHO C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001120402878 795453542 /nfs/dbraw/zinc/45/35/42/795453542.db2.gz SUIZCZYWNGWHJA-IAGOWNOFSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001120402878 795453546 /nfs/dbraw/zinc/45/35/46/795453546.db2.gz SUIZCZYWNGWHJA-IAGOWNOFSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001120458662 795464263 /nfs/dbraw/zinc/46/42/63/795464263.db2.gz IEDCFQHHCLUECR-IRXDYDNUSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001120458662 795464270 /nfs/dbraw/zinc/46/42/70/795464270.db2.gz IEDCFQHHCLUECR-IRXDYDNUSA-N 1 3 307.482 2.217 20 30 DEEDHO CC#CC[NH2+]C1CC2(CC(NC(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001121790856 795687561 /nfs/dbraw/zinc/68/75/61/795687561.db2.gz DXAFMTJPWRPAFA-UHFFFAOYSA-N 1 3 319.493 2.005 20 30 DEEDHO C=CCCC[NH2+]C[C@]1(C)CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001182629317 795714523 /nfs/dbraw/zinc/71/45/23/795714523.db2.gz COBLKOMOOXJDEV-YQVWRLOYSA-N 1 3 321.509 2.369 20 30 DEEDHO C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001122243045 795739123 /nfs/dbraw/zinc/73/91/23/795739123.db2.gz YIQVWICVFIPLNP-RFSHTEQGSA-N 1 3 319.493 2.454 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001184714334 796109037 /nfs/dbraw/zinc/10/90/37/796109037.db2.gz XMDBFRQUBRIJOI-CVEARBPZSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001185170485 796202447 /nfs/dbraw/zinc/20/24/47/796202447.db2.gz PWIMLBFHQFSJDS-HOTGVXAUSA-N 1 3 309.498 2.225 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203029607 796515737 /nfs/dbraw/zinc/51/57/37/796515737.db2.gz UKWDSEGSPTVBLB-GJZGRUSLSA-N 1 3 305.466 2.064 20 30 DEEDHO C=CCN(C)[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001191551360 797225177 /nfs/dbraw/zinc/22/51/77/797225177.db2.gz KJOOQKZPGBDQHW-KRWDZBQOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCN(C)[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001191551360 797225181 /nfs/dbraw/zinc/22/51/81/797225181.db2.gz KJOOQKZPGBDQHW-KRWDZBQOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CN1CCCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001196641413 798081718 /nfs/dbraw/zinc/08/17/18/798081718.db2.gz FSQZTFRGUQXOKU-UHFFFAOYSA-N 1 3 307.482 2.361 20 30 DEEDHO C=C(C)CN1CCCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001198129626 798281759 /nfs/dbraw/zinc/28/17/59/798281759.db2.gz SPNBZPBDVLMGJF-UHFFFAOYSA-N 1 3 307.482 2.363 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001158089863 798340664 /nfs/dbraw/zinc/34/06/64/798340664.db2.gz FWYCPHVKFXAFEY-QGZVFWFLSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001158089863 798340670 /nfs/dbraw/zinc/34/06/70/798340670.db2.gz FWYCPHVKFXAFEY-QGZVFWFLSA-N 1 3 307.482 2.360 20 30 DEEDHO CC#CCN1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160119666 798649794 /nfs/dbraw/zinc/64/97/94/798649794.db2.gz FVRCJFBTNMYMRV-GOSISDBHSA-N 1 3 317.477 2.021 20 30 DEEDHO CC#CCN1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160119666 798649798 /nfs/dbraw/zinc/64/97/98/798649798.db2.gz FVRCJFBTNMYMRV-GOSISDBHSA-N 1 3 317.477 2.021 20 30 DEEDHO C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001160479012 798694202 /nfs/dbraw/zinc/69/42/02/798694202.db2.gz IXWBVGAZIKUCKQ-QGZVFWFLSA-N 1 3 307.482 2.431 20 30 DEEDHO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001160479012 798694204 /nfs/dbraw/zinc/69/42/04/798694204.db2.gz IXWBVGAZIKUCKQ-QGZVFWFLSA-N 1 3 307.482 2.431 20 30 DEEDHO C=CCC[C@H](C)[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001201067091 798707545 /nfs/dbraw/zinc/70/75/45/798707545.db2.gz WVVCKFAOLWXLCN-HNNXBMFYSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001201053745 798711548 /nfs/dbraw/zinc/71/15/48/798711548.db2.gz WGPWPIPUVQFYRN-PBHICJAKSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](CC)N(C)C ZINC001162841139 799186377 /nfs/dbraw/zinc/18/63/77/799186377.db2.gz NISUKZGXJCZSLE-GOSISDBHSA-N 1 3 317.477 2.174 20 30 DEEDHO C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001204793841 800257974 /nfs/dbraw/zinc/25/79/74/800257974.db2.gz PHDFAJYUDGWVMW-DOTOQJQBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001211256385 801537258 /nfs/dbraw/zinc/53/72/58/801537258.db2.gz FDWKTPCVNBZRDD-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](F)CN(CC)CC ZINC001234644363 802439960 /nfs/dbraw/zinc/43/99/60/802439960.db2.gz TXYDXQDAODNQQZ-HOTGVXAUSA-N 1 3 313.461 2.165 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](F)CN(CC)CC ZINC001234644363 802439963 /nfs/dbraw/zinc/43/99/63/802439963.db2.gz TXYDXQDAODNQQZ-HOTGVXAUSA-N 1 3 313.461 2.165 20 30 DEEDHO C=CCCC[NH+]1CCC(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001224558690 802881759 /nfs/dbraw/zinc/88/17/59/802881759.db2.gz IUXDXXBREREIRG-INIZCTEOSA-N 1 3 307.482 2.123 20 30 DEEDHO C=CCCC[NH+]1CCC(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001225286758 802951132 /nfs/dbraw/zinc/95/11/32/802951132.db2.gz ZWVBNTBPUNIFOH-UHFFFAOYSA-N 1 3 304.438 2.055 20 30 DEEDHO C=C(C)C[NH+]1CCC(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001225542723 802979551 /nfs/dbraw/zinc/97/95/51/802979551.db2.gz NNBFQZISSJZPKE-IYBDPMFKSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001328579530 1148812624 /nfs/dbraw/zinc/81/26/24/1148812624.db2.gz ZBBMFQQTIYDLSF-SFHVURJKSA-N 1 3 321.509 2.156 20 30 DEEDHO C#CCC[N@H+](CC)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001328579530 1148812626 /nfs/dbraw/zinc/81/26/26/1148812626.db2.gz ZBBMFQQTIYDLSF-SFHVURJKSA-N 1 3 321.509 2.156 20 30 DEEDHO CC#CCN(C)CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001502401694 1060109804 /nfs/dbraw/zinc/10/98/04/1060109804.db2.gz QOBPDJFSAVCVCH-GOSISDBHSA-N 1 3 321.509 2.301 20 30 DEEDHO C=CCC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001506625773 1062207629 /nfs/dbraw/zinc/20/76/29/1062207629.db2.gz FKXICPRVXDZCCI-LSDHHAIUSA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001506677783 1062270332 /nfs/dbraw/zinc/27/03/32/1062270332.db2.gz GZBHSQYFRIYVCS-NVXWUHKLSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001480833875 1063424721 /nfs/dbraw/zinc/42/47/21/1063424721.db2.gz ZFXLMIHFLWAQFS-GJZGRUSLSA-N 1 3 313.873 2.051 20 30 DEEDHO C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001480833875 1063424730 /nfs/dbraw/zinc/42/47/30/1063424730.db2.gz ZFXLMIHFLWAQFS-GJZGRUSLSA-N 1 3 313.873 2.051 20 30 DEEDHO C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001508085455 1063544285 /nfs/dbraw/zinc/54/42/85/1063544285.db2.gz FQOBPUSRSDGQOW-RDJZCZTQSA-N 1 3 309.498 2.365 20 30 DEEDHO C=CCC[C@@H](C)[NH+]1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001567840802 1064455469 /nfs/dbraw/zinc/45/54/69/1064455469.db2.gz GCACWAMJLIPPKC-OAHLLOKOSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CC[NH2+]Cc1ccc(CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001568118472 1064655871 /nfs/dbraw/zinc/65/58/71/1064655871.db2.gz UIFPARXPFXIIEV-UHFFFAOYSA-N 1 3 301.434 2.063 20 30 DEEDHO CC#CC[NH2+]C1(CNC(=O)[C@@H](C)N2CCCCCC2)CCCC1 ZINC001568244415 1064725556 /nfs/dbraw/zinc/72/55/56/1064725556.db2.gz KWSSOSYOIQQTKZ-QGZVFWFLSA-N 1 3 319.493 2.293 20 30 DEEDHO C=C(C)C[NH2+]C[C@](C)(NC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001495277177 1064800876 /nfs/dbraw/zinc/80/08/76/1064800876.db2.gz NYBIXHWUXIUOAU-SFHVURJKSA-N 1 3 309.498 2.415 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001568424570 1064861473 /nfs/dbraw/zinc/86/14/73/1064861473.db2.gz SOJUAPHWOQAWBL-DOTOQJQBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CCCC1 ZINC001569603631 1065617916 /nfs/dbraw/zinc/61/79/16/1065617916.db2.gz CEEFOQZEBAZYAT-INIZCTEOSA-N 1 3 307.482 2.311 20 30 DEEDHO C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001570039177 1065898646 /nfs/dbraw/zinc/89/86/46/1065898646.db2.gz HPWGQSMPFTUUPK-BZSNNMDCSA-N 1 3 319.493 2.147 20 30 DEEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1CC ZINC001498897382 1066945481 /nfs/dbraw/zinc/94/54/81/1066945481.db2.gz CXNDJTYSVIYFOM-HZPDHXFCSA-N 1 3 309.498 2.367 20 30 DEEDHO N#C[C@@H](c1ccc(F)cc1)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC001580035809 1067477684 /nfs/dbraw/zinc/47/76/84/1067477684.db2.gz HCRXPRDBIMBDEX-QAPCUYQASA-N 1 3 316.424 2.008 20 30 DEEDHO N#Cc1ccccc1N1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC001580080532 1067492631 /nfs/dbraw/zinc/49/26/31/1067492631.db2.gz VZYUSQPJJOUOHE-UHFFFAOYSA-N 1 3 312.461 2.460 20 30 DEEDHO C=CCCC[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001571335680 1068230580 /nfs/dbraw/zinc/23/05/80/1068230580.db2.gz RZZFAXJMTWLAQD-QGZVFWFLSA-N 1 3 309.498 2.462 20 30 DEEDHO C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001571335680 1068230586 /nfs/dbraw/zinc/23/05/86/1068230586.db2.gz RZZFAXJMTWLAQD-QGZVFWFLSA-N 1 3 309.498 2.462 20 30 DEEDHO C=CCC[NH+]1CCC([C@H](C)NC(=O)C2(N(C)C)CCC2)CC1 ZINC001571649208 1068458458 /nfs/dbraw/zinc/45/84/58/1068458458.db2.gz WUTRQPJNXVLKAR-HNNXBMFYSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001267297644 1078744074 /nfs/dbraw/zinc/74/40/74/1078744074.db2.gz DYWMDDMLYAIDIK-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001267297644 1078744078 /nfs/dbraw/zinc/74/40/78/1078744078.db2.gz DYWMDDMLYAIDIK-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001279237037 1078776087 /nfs/dbraw/zinc/77/60/87/1078776087.db2.gz OKDWFQUVHNSJFY-YYIAUSFCSA-N 1 3 307.482 2.118 20 30 DEEDHO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001279237037 1078776090 /nfs/dbraw/zinc/77/60/90/1078776090.db2.gz OKDWFQUVHNSJFY-YYIAUSFCSA-N 1 3 307.482 2.118 20 30 DEEDHO C=CCC[NH+]1CCC2(CCN(C(=O)CN(C)CCC)C2)CC1 ZINC001483836984 1079151129 /nfs/dbraw/zinc/15/11/29/1079151129.db2.gz SKYXRFUERPDQOS-UHFFFAOYSA-N 1 3 307.482 2.219 20 30 DEEDHO C#CCN1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001566129401 1075234005 /nfs/dbraw/zinc/23/40/05/1075234005.db2.gz FRAYNEKLHSGADI-SJORKVTESA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001566129401 1075234008 /nfs/dbraw/zinc/23/40/08/1075234008.db2.gz FRAYNEKLHSGADI-SJORKVTESA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CCC[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001566871600 1075369130 /nfs/dbraw/zinc/36/91/30/1075369130.db2.gz GRRBBNJUVODAHS-MRXNPFEDSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CCC[C@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001566871600 1075369138 /nfs/dbraw/zinc/36/91/38/1075369138.db2.gz GRRBBNJUVODAHS-MRXNPFEDSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001566967805 1075403452 /nfs/dbraw/zinc/40/34/52/1075403452.db2.gz WJIRLVZJNCGXFM-GOEBONIOSA-N 1 3 318.465 2.444 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001566967805 1075403454 /nfs/dbraw/zinc/40/34/54/1075403454.db2.gz WJIRLVZJNCGXFM-GOEBONIOSA-N 1 3 318.465 2.444 20 30 DEEDHO C#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001484771965 1079787733 /nfs/dbraw/zinc/78/77/33/1079787733.db2.gz JDFKJSUOKKWKDQ-ZWKOTPCHSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001484771965 1079787738 /nfs/dbraw/zinc/78/77/38/1079787738.db2.gz JDFKJSUOKKWKDQ-ZWKOTPCHSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001485081986 1079970366 /nfs/dbraw/zinc/97/03/66/1079970366.db2.gz AAMBCAGDBZNPFK-GOSISDBHSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001485081986 1079970372 /nfs/dbraw/zinc/97/03/72/1079970372.db2.gz AAMBCAGDBZNPFK-GOSISDBHSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001656293542 1080076136 /nfs/dbraw/zinc/07/61/36/1080076136.db2.gz NWWHUDMUENYTLW-JKSUJKDBSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCCC[NH+]1CC([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001485518969 1080276972 /nfs/dbraw/zinc/27/69/72/1080276972.db2.gz GFZSUSCQLPRLFT-HNNXBMFYSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001481690521 1080304237 /nfs/dbraw/zinc/30/42/37/1080304237.db2.gz JGBWLNAZPTXYCC-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001481690521 1080304240 /nfs/dbraw/zinc/30/42/40/1080304240.db2.gz JGBWLNAZPTXYCC-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107040517 1080554239 /nfs/dbraw/zinc/55/42/39/1080554239.db2.gz IAJQPALDSCWUQQ-IXDOHACOSA-N 1 3 309.498 2.365 20 30 DEEDHO C#CCC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)N(C)C)c1ccccc1 ZINC001664583203 1080929063 /nfs/dbraw/zinc/92/90/63/1080929063.db2.gz IWWXSQMNSAPHOX-ROUUACIJSA-N 1 3 315.461 2.043 20 30 DEEDHO C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001268747817 1080966127 /nfs/dbraw/zinc/96/61/27/1080966127.db2.gz UKQRYXPFYQHZAA-WMLDXEAASA-N 1 3 313.461 2.212 20 30 DEEDHO C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001268747817 1080966134 /nfs/dbraw/zinc/96/61/34/1080966134.db2.gz UKQRYXPFYQHZAA-WMLDXEAASA-N 1 3 313.461 2.212 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001665731377 1081072352 /nfs/dbraw/zinc/07/23/52/1081072352.db2.gz LFZWVEXMUFAANN-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001665731377 1081072354 /nfs/dbraw/zinc/07/23/54/1081072354.db2.gz LFZWVEXMUFAANN-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C#CCN1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001673385975 1081763068 /nfs/dbraw/zinc/76/30/68/1081763068.db2.gz HSLSCXKARRDRIL-QGZVFWFLSA-N 1 3 319.493 2.245 20 30 DEEDHO C#CCN1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001673385975 1081763075 /nfs/dbraw/zinc/76/30/75/1081763075.db2.gz HSLSCXKARRDRIL-QGZVFWFLSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001674499221 1081883793 /nfs/dbraw/zinc/88/37/93/1081883793.db2.gz FOICPXIKRUGCHC-SJORKVTESA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCN(CCNC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001493426587 1082079076 /nfs/dbraw/zinc/07/90/76/1082079076.db2.gz LBFSDAARIORHBG-UHFFFAOYSA-N 1 3 301.434 2.128 20 30 DEEDHO C=C(C)C[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001670469323 1082145521 /nfs/dbraw/zinc/14/55/21/1082145521.db2.gz HJLZCKYCARHANO-INIZCTEOSA-N 1 3 307.482 2.311 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001266893556 1082435751 /nfs/dbraw/zinc/43/57/51/1082435751.db2.gz CMJAZVSCHWTKEQ-IAGOWNOFSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001266893556 1082435753 /nfs/dbraw/zinc/43/57/53/1082435753.db2.gz CMJAZVSCHWTKEQ-IAGOWNOFSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)CCC)CCC[C@@H]12 ZINC001107617249 1083523671 /nfs/dbraw/zinc/52/36/71/1083523671.db2.gz AUXXASIMLDEZAQ-SJLPKXTDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@H+]1CC[C@@]2(CNC(=O)CN(C)CCC)CCC[C@@H]12 ZINC001107617249 1083523681 /nfs/dbraw/zinc/52/36/81/1083523681.db2.gz AUXXASIMLDEZAQ-SJLPKXTDSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCCN1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001276632320 1083525684 /nfs/dbraw/zinc/52/56/84/1083525684.db2.gz DGRQQECAMYCAEA-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCCCCN1CC[C@H]2C[C@]21C(=O)NC1CC[NH+](C)CC1 ZINC001276888130 1083666349 /nfs/dbraw/zinc/66/63/49/1083666349.db2.gz USVHZAIFKFQGCG-MAUKXSAKSA-N 1 3 305.466 2.018 20 30 DEEDHO C#CCN1CCC(C(=O)NCC2([NH2+]CCC(C)(C)C)CC2)CC1 ZINC001670903732 1084042278 /nfs/dbraw/zinc/04/22/78/1084042278.db2.gz QNXQRPSJCPZFOL-UHFFFAOYSA-N 1 3 319.493 2.006 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001277850962 1084174242 /nfs/dbraw/zinc/17/42/42/1084174242.db2.gz CGHLGOHXTNHONV-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001235007880 1084272073 /nfs/dbraw/zinc/27/20/73/1084272073.db2.gz RWGWPIGMVLYMQX-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001235007880 1084272085 /nfs/dbraw/zinc/27/20/85/1084272085.db2.gz RWGWPIGMVLYMQX-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCN1CCC ZINC001235007880 1084272095 /nfs/dbraw/zinc/27/20/95/1084272095.db2.gz RWGWPIGMVLYMQX-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCN1CCC ZINC001235007880 1084272108 /nfs/dbraw/zinc/27/21/08/1084272108.db2.gz RWGWPIGMVLYMQX-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315806 1086405243 /nfs/dbraw/zinc/40/52/43/1086405243.db2.gz YZGDYAKXSRPJNM-SJLPKXTDSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315806 1086405244 /nfs/dbraw/zinc/40/52/44/1086405244.db2.gz YZGDYAKXSRPJNM-SJLPKXTDSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963366080 1086428062 /nfs/dbraw/zinc/42/80/62/1086428062.db2.gz JEEWSJYUBOVHFO-WBVHZDCISA-N 1 3 316.449 2.231 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963366080 1086428064 /nfs/dbraw/zinc/42/80/64/1086428064.db2.gz JEEWSJYUBOVHFO-WBVHZDCISA-N 1 3 316.449 2.231 20 30 DEEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1c1ccccc1 ZINC001081133982 1089361498 /nfs/dbraw/zinc/36/14/98/1089361498.db2.gz JERANIXWPVSSNP-RCCFBDPRSA-N 1 3 315.461 2.097 20 30 DEEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001084598710 1090343379 /nfs/dbraw/zinc/34/33/79/1090343379.db2.gz BGHOTJDGQJEIAB-KZNAEPCWSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001084598710 1090343384 /nfs/dbraw/zinc/34/33/84/1090343384.db2.gz BGHOTJDGQJEIAB-KZNAEPCWSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049456 1090616969 /nfs/dbraw/zinc/61/69/69/1090616969.db2.gz BIJBMXATMYDQKN-KSZLIROESA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001274459848 1091254626 /nfs/dbraw/zinc/25/46/26/1091254626.db2.gz FQLNTNUQSQSMEM-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(Cl)CNC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001411213356 1091428260 /nfs/dbraw/zinc/42/82/60/1091428260.db2.gz FLRLFSXLKSLCDZ-KGLIPLIRSA-N 1 3 317.905 2.446 20 30 DEEDHO C=CCCC[NH2+]C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001275309918 1091663731 /nfs/dbraw/zinc/66/37/31/1091663731.db2.gz QTWMZAKPHXCZAV-YOEHRIQHSA-N 1 3 313.461 2.259 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1CC ZINC001446017323 1092073299 /nfs/dbraw/zinc/07/32/99/1092073299.db2.gz SJUXDCKRXJKHJB-LSDHHAIUSA-N 1 3 315.889 2.296 20 30 DEEDHO C=C(C)CC[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001202527182 1093628115 /nfs/dbraw/zinc/62/81/15/1093628115.db2.gz ZVSTXPWGCJIZNE-UHFFFAOYSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[NH2+][C@@H](CC)CNC(=O)c1cccc(CN(C)C)c1 ZINC001318608480 1140371539 /nfs/dbraw/zinc/37/15/39/1140371539.db2.gz VWJRSRPEMHJPQO-KRWDZBQOSA-N 1 3 303.450 2.422 20 30 DEEDHO CC#CC[N@H+](C)CCC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001319878647 1140799294 /nfs/dbraw/zinc/79/92/94/1140799294.db2.gz ALPHOGLCKQRAGE-UHFFFAOYSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[N@@H+](C)CCC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001319878647 1140799311 /nfs/dbraw/zinc/79/93/11/1140799311.db2.gz ALPHOGLCKQRAGE-UHFFFAOYSA-N 1 3 319.493 2.055 20 30 DEEDHO CCCCCCCCCC[C@@H](O)CN[C@@H]1CC[NH2+]C[C@@H]1CO ZINC001246001020 1140844376 /nfs/dbraw/zinc/84/43/76/1140844376.db2.gz GDTDTSCDMXCKJP-KZNAEPCWSA-N 1 3 314.514 2.438 20 30 DEEDHO C=C[C@@H](COC)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001320299862 1140846069 /nfs/dbraw/zinc/84/60/69/1140846069.db2.gz VGNUEBVXGUMYOJ-KRWDZBQOSA-N 1 3 304.434 2.452 20 30 DEEDHO C=CCCCCCC[C@@H](O)CN1CCNC[C@@]2(CCCC[NH2+]2)C1 ZINC001246031281 1140849917 /nfs/dbraw/zinc/84/99/17/1140849917.db2.gz VSMCOQNLNAXCMB-MOPGFXCFSA-N 1 3 323.525 2.291 20 30 DEEDHO C[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CN1 ZINC001246364913 1140888553 /nfs/dbraw/zinc/88/85/53/1140888553.db2.gz XBPTZJMVFZDBNQ-BEFAXECRSA-N 1 3 312.461 2.253 20 30 DEEDHO N#C[C@@H]1C[C@H](N[C@@H](c2ccccc2F)C2CC[NH2+]CC2)CCN1 ZINC001246402404 1140893996 /nfs/dbraw/zinc/89/39/96/1140893996.db2.gz YDVYSEJEJMWQOQ-RVKKMQEKSA-N 1 3 316.424 2.100 20 30 DEEDHO C=CCOC(=O)N1CCC[C@]2(CCN([C@H]3CC[NH2+][C@H](C)C3)C2)C1 ZINC001246550206 1140955768 /nfs/dbraw/zinc/95/57/68/1140955768.db2.gz MGRMNWHIRBEMGG-SOLBZPMBSA-N 1 3 321.465 2.237 20 30 DEEDHO C=CCN1C(=O)CCC[C@]12CCCN([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246709181 1141041084 /nfs/dbraw/zinc/04/10/84/1141041084.db2.gz SIQNPVWSSXOJRL-JFIYKMOQSA-N 1 3 305.466 2.160 20 30 DEEDHO CC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001322347742 1141537947 /nfs/dbraw/zinc/53/79/47/1141537947.db2.gz VJISFAPZBRPXIR-IRXDYDNUSA-N 1 3 319.493 2.149 20 30 DEEDHO C=CCC[C@H](O)CN1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001252597116 1142777854 /nfs/dbraw/zinc/77/78/54/1142777854.db2.gz WVODKYQCZKWRJI-ZWKOTPCHSA-N 1 3 310.482 2.136 20 30 DEEDHO C=CCC[C@H](O)CN1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001252597116 1142777869 /nfs/dbraw/zinc/77/78/69/1142777869.db2.gz WVODKYQCZKWRJI-ZWKOTPCHSA-N 1 3 310.482 2.136 20 30 DEEDHO C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC001341701322 1143671634 /nfs/dbraw/zinc/67/16/34/1143671634.db2.gz OIROUBYLPGJXJZ-MSOLQXFVSA-N 1 3 315.461 2.451 20 30 DEEDHO C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001265396922 1144702193 /nfs/dbraw/zinc/70/21/93/1144702193.db2.gz NUWXQXGCNBUXMH-HNNXBMFYSA-N 1 3 304.438 2.089 20 30 DEEDHO C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001265396922 1144702194 /nfs/dbraw/zinc/70/21/94/1144702194.db2.gz NUWXQXGCNBUXMH-HNNXBMFYSA-N 1 3 304.438 2.089 20 30 DEEDHO C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001266177571 1144811819 /nfs/dbraw/zinc/81/18/19/1144811819.db2.gz HPDXHLPWLINEFJ-DOTOQJQBSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCNCc1ccc(CNC(=O)C2(C[NH+](C)C)CC2)c(F)c1 ZINC001279716213 1144827617 /nfs/dbraw/zinc/82/76/17/1144827617.db2.gz PZDPTJYUPOUCKV-UHFFFAOYSA-N 1 3 319.424 2.059 20 30 DEEDHO CC#CCN1CCCCC[C@@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001282677791 1145124156 /nfs/dbraw/zinc/12/41/56/1145124156.db2.gz HOFWPDVZMDQGQP-QGZVFWFLSA-N 1 3 307.482 2.102 20 30 DEEDHO CC#CCN1CCCCC[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001282677791 1145124166 /nfs/dbraw/zinc/12/41/66/1145124166.db2.gz HOFWPDVZMDQGQP-QGZVFWFLSA-N 1 3 307.482 2.102 20 30 DEEDHO C=CCCC[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001284976730 1146000701 /nfs/dbraw/zinc/00/07/01/1146000701.db2.gz NQHIKIMLPAVJCR-QGZVFWFLSA-N 1 3 307.482 2.287 20 30 DEEDHO C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001284976730 1146000706 /nfs/dbraw/zinc/00/07/06/1146000706.db2.gz NQHIKIMLPAVJCR-QGZVFWFLSA-N 1 3 307.482 2.287 20 30 DEEDHO C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001365924958 1146912587 /nfs/dbraw/zinc/91/25/87/1146912587.db2.gz MZRVYCBSMRXDQE-KBPBESRZSA-N 1 3 301.862 2.050 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001491874229 1146943621 /nfs/dbraw/zinc/94/36/21/1146943621.db2.gz MKVKVWQICXDYJR-KBPBESRZSA-N 1 3 313.873 2.240 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001317294731 1147686762 /nfs/dbraw/zinc/68/67/62/1147686762.db2.gz PWZWLNCRNKCTDL-DLBZAZTESA-N 1 3 321.509 2.108 20 30 DEEDHO C=C(C)C[N@@H+](C)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001317870641 1147759202 /nfs/dbraw/zinc/75/92/02/1147759202.db2.gz VNLIUTZTPBDKLU-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@H+](C)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001317870641 1147759204 /nfs/dbraw/zinc/75/92/04/1147759204.db2.gz VNLIUTZTPBDKLU-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO CN(C)CCCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000080566577 355371019 /nfs/dbraw/zinc/37/10/19/355371019.db2.gz ZGOHCQQWOQLBDP-UHFFFAOYSA-N 1 3 302.344 2.061 20 30 DEEDHO N#Cc1ccc(CCN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000595893103 358574084 /nfs/dbraw/zinc/57/40/84/358574084.db2.gz PFEIHUYLBVSICR-RTBURBONSA-N 1 3 313.445 2.319 20 30 DEEDHO C=CCN1CCC(NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000237700572 202331475 /nfs/dbraw/zinc/33/14/75/202331475.db2.gz JCVBSEBHOAEOMS-PBHICJAKSA-N 1 3 301.434 2.089 20 30 DEEDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(C#N)cc1 ZINC000181857024 296125171 /nfs/dbraw/zinc/12/51/71/296125171.db2.gz ZOMBBSZIWHLSCC-OAHLLOKOSA-N 1 3 300.450 2.235 20 30 DEEDHO C=CCNC(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000184755341 402297700 /nfs/dbraw/zinc/29/77/00/402297700.db2.gz XQXNESIQWYRJQK-HOTGVXAUSA-N 1 3 315.461 2.035 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2ccccc2)C1 ZINC000280489979 403005220 /nfs/dbraw/zinc/00/52/20/403005220.db2.gz BKZQHPWUEARQQL-ULQDDVLXSA-N 1 3 300.450 2.321 20 30 DEEDHO CC(C)[N@H+](C)CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280916286 403049740 /nfs/dbraw/zinc/04/97/40/403049740.db2.gz UUKLVVCVTUKBBQ-QGZVFWFLSA-N 1 3 312.417 2.087 20 30 DEEDHO CC(C)[N@@H+](C)CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280916286 403049741 /nfs/dbraw/zinc/04/97/41/403049741.db2.gz UUKLVVCVTUKBBQ-QGZVFWFLSA-N 1 3 312.417 2.087 20 30 DEEDHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281063869 403057843 /nfs/dbraw/zinc/05/78/43/403057843.db2.gz ZEVCSULIRSWDDT-ZWKOTPCHSA-N 1 3 324.428 2.041 20 30 DEEDHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281063869 403057844 /nfs/dbraw/zinc/05/78/44/403057844.db2.gz ZEVCSULIRSWDDT-ZWKOTPCHSA-N 1 3 324.428 2.041 20 30 DEEDHO C#CCN(C)CCCNC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000293901314 403594114 /nfs/dbraw/zinc/59/41/14/403594114.db2.gz FHFKSPCQPDGDSR-UHFFFAOYSA-N 1 3 315.461 2.213 20 30 DEEDHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000343607990 403660930 /nfs/dbraw/zinc/66/09/30/403660930.db2.gz NHJYQRTYAYFFFA-ZWKOTPCHSA-N 1 3 324.428 2.231 20 30 DEEDHO CCC[N@H+]1CCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000343607990 403660932 /nfs/dbraw/zinc/66/09/32/403660932.db2.gz NHJYQRTYAYFFFA-ZWKOTPCHSA-N 1 3 324.428 2.231 20 30 DEEDHO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCCN(C)CCN(C)C ZINC000289360621 403926491 /nfs/dbraw/zinc/92/64/91/403926491.db2.gz HGCWSBDCBBUINB-INIZCTEOSA-N 1 3 302.466 2.435 20 30 DEEDHO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCCN(C)CCN(C)C ZINC000289360621 403926497 /nfs/dbraw/zinc/92/64/97/403926497.db2.gz HGCWSBDCBBUINB-INIZCTEOSA-N 1 3 302.466 2.435 20 30 DEEDHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)C(C)C#N)C2)s1 ZINC000566802047 406091033 /nfs/dbraw/zinc/09/10/33/406091033.db2.gz TUIOOTOZEXDVPI-TZMCWYRMSA-N 1 3 305.447 2.497 20 30 DEEDHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)C(C)C#N)C2)s1 ZINC000566802047 406091036 /nfs/dbraw/zinc/09/10/36/406091036.db2.gz TUIOOTOZEXDVPI-TZMCWYRMSA-N 1 3 305.447 2.497 20 30 DEEDHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)C(C)C#N)C2)s1 ZINC000566802045 406091460 /nfs/dbraw/zinc/09/14/60/406091460.db2.gz TUIOOTOZEXDVPI-JSGCOSHPSA-N 1 3 305.447 2.497 20 30 DEEDHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)C(C)C#N)C2)s1 ZINC000566802045 406091465 /nfs/dbraw/zinc/09/14/65/406091465.db2.gz TUIOOTOZEXDVPI-JSGCOSHPSA-N 1 3 305.447 2.497 20 30 DEEDHO C[C@@H]1CN(CCC2CC[NH+](CCOCCC#N)CC2)C[C@@H](C)O1 ZINC000339012880 226177103 /nfs/dbraw/zinc/17/71/03/226177103.db2.gz IVYLAZQPGIPWDQ-IAGOWNOFSA-N 1 3 323.481 2.128 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001328260212 1148756732 /nfs/dbraw/zinc/75/67/32/1148756732.db2.gz RUKIPJARYYJYBU-HZPDHXFCSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001328260212 1148756737 /nfs/dbraw/zinc/75/67/37/1148756737.db2.gz RUKIPJARYYJYBU-HZPDHXFCSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[C@@H]1CC[C@H]([NH2+]CC(=O)NCCN2CCCCCC2)C1 ZINC000651816080 425148589 /nfs/dbraw/zinc/14/85/89/425148589.db2.gz ATTOKJMOIISCGZ-SJORKVTESA-N 1 3 307.482 2.313 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC(C)(C)C[NH+]2CCCC2)CC1 ZINC000458312999 276862270 /nfs/dbraw/zinc/86/22/70/276862270.db2.gz BXSXCYPKLZKEHB-UHFFFAOYSA-N 1 3 322.497 2.201 20 30 DEEDHO COc1ccc(NC(=[NH2+])NCC2=CCN(C)CC2)cc1Cl ZINC000263170694 533988454 /nfs/dbraw/zinc/98/84/54/533988454.db2.gz RJNXUDDZIIDEIU-UHFFFAOYSA-N 1 3 308.813 2.337 20 30 DEEDHO COc1ccc(NC(=[NH2+])NCCN2CCC[C@H](C)C2)cc1OC ZINC000264100085 533989218 /nfs/dbraw/zinc/98/92/18/533989218.db2.gz NVOSUSLDQKWYDR-ZDUSSCGKSA-N 1 3 320.437 2.162 20 30 DEEDHO C[C@H]1C[NH+]=C(NCC2CCN(Cc3ccccc3Cl)CC2)N1 ZINC000262477797 533990281 /nfs/dbraw/zinc/99/02/81/533990281.db2.gz CKQNUEGARDAFGY-ZDUSSCGKSA-N 1 3 320.868 2.489 20 30 DEEDHO C[NH+]=C(NC[C@@H]1CCCN(Cc2cccs2)C1)NC1CC1 ZINC000264085781 526369849 /nfs/dbraw/zinc/36/98/49/526369849.db2.gz VPGBIDQLZPYSSV-ZDUSSCGKSA-N 1 3 306.479 2.288 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1c[nH]c2ccccc12 ZINC000264098788 529075224 /nfs/dbraw/zinc/07/52/24/529075224.db2.gz MIOXYRQDKGPKHJ-OAHLLOKOSA-N 1 3 313.449 2.099 20 30 DEEDHO C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC000969648419 622863428 /nfs/dbraw/zinc/86/34/28/622863428.db2.gz JNEGXPMHUMRZTF-WBVHZDCISA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001022585091 624761333 /nfs/dbraw/zinc/76/13/33/624761333.db2.gz LPFZXSFOSHZWSO-KFWWJZLASA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001022585091 624761338 /nfs/dbraw/zinc/76/13/38/624761338.db2.gz LPFZXSFOSHZWSO-KFWWJZLASA-N 1 3 313.873 2.098 20 30 DEEDHO CCOCCC1(CNC(=[NH2+])NC[C@@H]2CCCN2CC)CCCC1 ZINC000156935235 625175955 /nfs/dbraw/zinc/17/59/55/625175955.db2.gz DUHBOLAIYHBBQT-INIZCTEOSA-N 1 3 324.513 2.362 20 30 DEEDHO C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]12 ZINC001026267880 625240718 /nfs/dbraw/zinc/24/07/18/625240718.db2.gz RMMGKYBURBDMEX-IXDOHACOSA-N 1 3 319.493 2.264 20 30 DEEDHO C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001024691716 632926778 /nfs/dbraw/zinc/92/67/78/632926778.db2.gz AAPHSAUWXQPTJT-MSOLQXFVSA-N 1 3 319.493 2.243 20 30 DEEDHO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001024691716 632926782 /nfs/dbraw/zinc/92/67/82/632926782.db2.gz AAPHSAUWXQPTJT-MSOLQXFVSA-N 1 3 319.493 2.243 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CCCN2CCC)CC1(C)C ZINC000995870568 633131760 /nfs/dbraw/zinc/13/17/60/633131760.db2.gz JCJBMSSRQJJZIG-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCN2CCC)CC1 ZINC000997119460 633601446 /nfs/dbraw/zinc/60/14/46/633601446.db2.gz JVICNZDOFFRHHE-SJLPKXTDSA-N 1 3 319.493 2.101 20 30 DEEDHO CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCCN2CC)CC1 ZINC000997874404 634017628 /nfs/dbraw/zinc/01/76/28/634017628.db2.gz LXMQCGWEMXGVKG-FUHWJXTLSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCN2C)CC1 ZINC000997951770 634072994 /nfs/dbraw/zinc/07/29/94/634072994.db2.gz ZSOCWYRHGONGPP-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCN2C)CC1 ZINC000997951770 634072999 /nfs/dbraw/zinc/07/29/99/634072999.db2.gz ZSOCWYRHGONGPP-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001027602062 634255872 /nfs/dbraw/zinc/25/58/72/634255872.db2.gz KQGKXKMRRMCICJ-DLBZAZTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001027602062 634255874 /nfs/dbraw/zinc/25/58/74/634255874.db2.gz KQGKXKMRRMCICJ-DLBZAZTESA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000981269145 635416973 /nfs/dbraw/zinc/41/69/73/635416973.db2.gz UHPKFBVAWDHFIX-JKSUJKDBSA-N 1 3 307.482 2.454 20 30 DEEDHO CC#CC[NH+]1CCC(CNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001001912724 635574261 /nfs/dbraw/zinc/57/42/61/635574261.db2.gz ZCXCOONGKLDDDT-GOSISDBHSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CC[NH+]1CCC(CNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001001911962 635574667 /nfs/dbraw/zinc/57/46/67/635574667.db2.gz RMCFHFMPFWVICO-QGZVFWFLSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001005586046 636789566 /nfs/dbraw/zinc/78/95/66/636789566.db2.gz UKBOUWDRVJLTIC-IAGOWNOFSA-N 1 3 305.466 2.112 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001005586046 636789572 /nfs/dbraw/zinc/78/95/72/636789572.db2.gz UKBOUWDRVJLTIC-IAGOWNOFSA-N 1 3 305.466 2.112 20 30 DEEDHO C=CCCN1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000989740761 641216374 /nfs/dbraw/zinc/21/63/74/641216374.db2.gz YDXGYRUALXEMCE-KRWDZBQOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCN1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000989740762 641216797 /nfs/dbraw/zinc/21/67/97/641216797.db2.gz YDXGYRUALXEMCE-QGZVFWFLSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000900044402 642246406 /nfs/dbraw/zinc/24/64/06/642246406.db2.gz CDOWFVXTQLVXEX-UHFFFAOYSA-N 1 3 315.461 2.229 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]21 ZINC000992715139 647194292 /nfs/dbraw/zinc/19/42/92/647194292.db2.gz RRRMNOJMTPJUQF-RYQLBKOJSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2CCC)C(C)(C)C1 ZINC000940790034 648942025 /nfs/dbraw/zinc/94/20/25/648942025.db2.gz SFIYNBKMIYGYNP-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2CCC)C(C)(C)C1 ZINC000940790034 648942027 /nfs/dbraw/zinc/94/20/27/648942027.db2.gz SFIYNBKMIYGYNP-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCN1CCC[C@@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948439280 649215680 /nfs/dbraw/zinc/21/56/80/649215680.db2.gz LWPYDWNCJMXAKU-QZTJIDSGSA-N 1 3 319.493 2.195 20 30 DEEDHO C#CCN1CCC[C@@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948439280 649215682 /nfs/dbraw/zinc/21/56/82/649215682.db2.gz LWPYDWNCJMXAKU-QZTJIDSGSA-N 1 3 319.493 2.195 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1cc2ccccc2o1 ZINC000304761762 685259741 /nfs/dbraw/zinc/25/97/41/685259741.db2.gz UVDFYMARFXRHQO-HNNXBMFYSA-N 1 3 314.433 2.364 20 30 DEEDHO COc1ccccc1CNC(=[NH2+])NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000245922449 685120537 /nfs/dbraw/zinc/12/05/37/685120537.db2.gz UUXLXMBQYWFXLY-HUUCEWRRSA-N 1 3 318.465 2.220 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCc2ccccc21 ZINC000246902514 685138797 /nfs/dbraw/zinc/13/87/97/685138797.db2.gz FQXSVJMCSVTBGB-CVEARBPZSA-N 1 3 300.450 2.105 20 30 DEEDHO C[N@@H+]1CCC[C@H](N2CCN(CC3CCC(C#N)CC3)CC2)C1 ZINC000929982999 694063616 /nfs/dbraw/zinc/06/36/16/694063616.db2.gz ZWVQCVBFMOONMU-ABHNRTSZSA-N 1 3 304.482 2.028 20 30 DEEDHO C[N@H+]1CCC[C@H](N2CCN(CC3CCC(C#N)CC3)CC2)C1 ZINC000929982999 694063621 /nfs/dbraw/zinc/06/36/21/694063621.db2.gz ZWVQCVBFMOONMU-ABHNRTSZSA-N 1 3 304.482 2.028 20 30 DEEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001017850412 687971678 /nfs/dbraw/zinc/97/16/78/687971678.db2.gz ODCLBKJPSPLQGR-XLAORIBOSA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001017850412 687971680 /nfs/dbraw/zinc/97/16/80/687971680.db2.gz ODCLBKJPSPLQGR-XLAORIBOSA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001026492399 688528731 /nfs/dbraw/zinc/52/87/31/688528731.db2.gz LAXLHUKFZOGTDN-OFLPRAFFSA-N 1 3 307.482 2.452 20 30 DEEDHO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001034240955 689778196 /nfs/dbraw/zinc/77/81/96/689778196.db2.gz VHEULQUQZWAHCO-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001034240955 689778200 /nfs/dbraw/zinc/77/82/00/689778200.db2.gz VHEULQUQZWAHCO-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000876717499 689913917 /nfs/dbraw/zinc/91/39/17/689913917.db2.gz GPIIUOQZYAQHGT-UONOGXRCSA-N 1 3 303.878 2.329 20 30 DEEDHO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035194324 690056110 /nfs/dbraw/zinc/05/61/10/690056110.db2.gz GTIWVVPSYZLXKM-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035194324 690056115 /nfs/dbraw/zinc/05/61/15/690056115.db2.gz GTIWVVPSYZLXKM-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)[C@H](N)CCCCC#N ZINC000877266887 690060625 /nfs/dbraw/zinc/06/06/25/690060625.db2.gz LWXGHZIIOJZTLN-QGZVFWFLSA-N 1 3 322.497 2.224 20 30 DEEDHO C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCCN1CC)CC2 ZINC001035858270 690194594 /nfs/dbraw/zinc/19/45/94/690194594.db2.gz RKWIHJVEOAJCGE-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001036056932 690248627 /nfs/dbraw/zinc/24/86/27/690248627.db2.gz WTNDQCSOKMVEEM-SWLSCSKDSA-N 1 3 313.873 2.050 20 30 DEEDHO C=CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001036306741 690316416 /nfs/dbraw/zinc/31/64/16/690316416.db2.gz YMDQEUCDJZQORH-CRAIPNDOSA-N 1 3 315.461 2.374 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001036737775 690453762 /nfs/dbraw/zinc/45/37/62/690453762.db2.gz WDURUJOKEMOULB-AEFFLSMTSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001036737775 690453764 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692795685 /nfs/dbraw/zinc/79/56/85/692795685.db2.gz UEQUERMTDORLHC-TVFCKZIOSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001049464588 692890390 /nfs/dbraw/zinc/89/03/90/692890390.db2.gz NWGROOJXYNQLTB-ZACQAIPSSA-N 1 3 305.466 2.111 20 30 DEEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001049464588 692890393 /nfs/dbraw/zinc/89/03/93/692890393.db2.gz NWGROOJXYNQLTB-ZACQAIPSSA-N 1 3 305.466 2.111 20 30 DEEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001049514815 692906571 /nfs/dbraw/zinc/90/65/71/692906571.db2.gz JHCVNUGXQWGHHR-OKZBNKHCSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001049514815 692906572 /nfs/dbraw/zinc/90/65/72/692906572.db2.gz JHCVNUGXQWGHHR-OKZBNKHCSA-N 1 3 319.493 2.216 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001052367842 693516368 /nfs/dbraw/zinc/51/63/68/693516368.db2.gz BYVSQJGYHCQKIO-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001052367842 693516371 /nfs/dbraw/zinc/51/63/71/693516371.db2.gz BYVSQJGYHCQKIO-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC)CC1 ZINC001052989338 693662478 /nfs/dbraw/zinc/66/24/78/693662478.db2.gz AHZGCQNSTWCFKA-CALCHBBNSA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001085604044 783880144 /nfs/dbraw/zinc/88/01/44/783880144.db2.gz VSYUCMRDPAKXJQ-IXDOHACOSA-N 1 3 307.482 2.216 20 30 DEEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001085604044 783880148 /nfs/dbraw/zinc/88/01/48/783880148.db2.gz VSYUCMRDPAKXJQ-IXDOHACOSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000969001612 784684918 /nfs/dbraw/zinc/68/49/18/784684918.db2.gz CMKACFISMCVEPP-YESZJQIVSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000969001612 784684922 /nfs/dbraw/zinc/68/49/22/784684922.db2.gz CMKACFISMCVEPP-YESZJQIVSA-N 1 3 307.482 2.264 20 30 DEEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C ZINC001133121288 788287506 /nfs/dbraw/zinc/28/75/06/788287506.db2.gz GBHOMZNMPVSPTR-DLBZAZTESA-N 1 3 321.509 2.062 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133345365 788375591 /nfs/dbraw/zinc/37/55/91/788375591.db2.gz BDLKUNZLCHVDLB-SJORKVTESA-N 1 3 309.498 2.367 20 30 DEEDHO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001170750739 788920003 /nfs/dbraw/zinc/92/00/03/788920003.db2.gz MOVNILMHMPVJAJ-SJORKVTESA-N 1 3 307.482 2.147 20 30 DEEDHO C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001086849019 791567177 /nfs/dbraw/zinc/56/71/77/791567177.db2.gz RVBLYIOSSLOZBZ-RCCFBDPRSA-N 1 3 319.493 2.149 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001147747862 791616954 /nfs/dbraw/zinc/61/69/54/791616954.db2.gz HQVPMWMFXMAJRX-SJORKVTESA-N 1 3 321.509 2.462 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001147747862 791616959 /nfs/dbraw/zinc/61/69/59/791616959.db2.gz HQVPMWMFXMAJRX-SJORKVTESA-N 1 3 321.509 2.462 20 30 DEEDHO C=CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C(C)C ZINC001099553707 792240204 /nfs/dbraw/zinc/24/02/04/792240204.db2.gz VRAPZZXNQCDTMT-MHORFTMASA-N 1 3 319.493 2.072 20 30 DEEDHO C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C(C)C ZINC001099553707 792240207 /nfs/dbraw/zinc/24/02/07/792240207.db2.gz VRAPZZXNQCDTMT-MHORFTMASA-N 1 3 319.493 2.072 20 30 DEEDHO C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)CN(CC)CC)CC1 ZINC001101583448 793246071 /nfs/dbraw/zinc/24/60/71/793246071.db2.gz YSAAXZJCTVUFSN-UHFFFAOYSA-N 1 3 321.509 2.206 20 30 DEEDHO C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)CN1CCC[C@H]1C ZINC001175256503 794170872 /nfs/dbraw/zinc/17/08/72/794170872.db2.gz KYQJWNBCHNEOJE-LSDHHAIUSA-N 1 3 315.889 2.488 20 30 DEEDHO C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001175317812 794181054 /nfs/dbraw/zinc/18/10/54/794181054.db2.gz QRWFCKKGGGACSG-KGLIPLIRSA-N 1 3 303.878 2.344 20 30 DEEDHO C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001111868968 794507045 /nfs/dbraw/zinc/50/70/45/794507045.db2.gz SFHSIUBCBGEGPA-BQFCYCMXSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCN2CCC)CCCCC1 ZINC001115562746 794822721 /nfs/dbraw/zinc/82/27/21/794822721.db2.gz IQIFLNSNPNQMDZ-INIZCTEOSA-N 1 3 307.482 2.456 20 30 DEEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+]C(C)C)CC1 ZINC001180360914 795282109 /nfs/dbraw/zinc/28/21/09/795282109.db2.gz PXIVPCCGDYVPOZ-UHFFFAOYSA-N 1 3 307.482 2.006 20 30 DEEDHO C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001181941686 795566426 /nfs/dbraw/zinc/56/64/26/795566426.db2.gz KJVDYCGUJCLIOJ-CRAIPNDOSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C[NH+]1CCCC1)C(=O)N(C)CCN(C)Cc1ccccc1 ZINC001183044343 795794632 /nfs/dbraw/zinc/79/46/32/795794632.db2.gz ICBDXOJPCVWKQO-UHFFFAOYSA-N 1 3 315.461 2.229 20 30 DEEDHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C ZINC001185168806 796200940 /nfs/dbraw/zinc/20/09/40/796200940.db2.gz JEVXOCVXOJQMAS-IRXDYDNUSA-N 1 3 321.509 2.369 20 30 DEEDHO CC#CC[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001185168696 796201068 /nfs/dbraw/zinc/20/10/68/796201068.db2.gz IUYQPJYXAZSJHG-DLBZAZTESA-N 1 3 321.509 2.062 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185749538 796309947 /nfs/dbraw/zinc/30/99/47/796309947.db2.gz CJMWQCZGFVMIFT-DLBZAZTESA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203028633 796515160 /nfs/dbraw/zinc/51/51/60/796515160.db2.gz OKNRGQRTYMZOST-HOTGVXAUSA-N 1 3 319.493 2.454 20 30 DEEDHO C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194040427 797668345 /nfs/dbraw/zinc/66/83/45/797668345.db2.gz QYHYYARXHIGYBJ-KRWDZBQOSA-N 1 3 307.482 2.361 20 30 DEEDHO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194040427 797668351 /nfs/dbraw/zinc/66/83/51/797668351.db2.gz QYHYYARXHIGYBJ-KRWDZBQOSA-N 1 3 307.482 2.361 20 30 DEEDHO C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001201037998 798709282 /nfs/dbraw/zinc/70/92/82/798709282.db2.gz RIXUPUFHAVPUCE-OAHLLOKOSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001095525407 799648286 /nfs/dbraw/zinc/64/82/86/799648286.db2.gz PDZXRIOXUUDDGK-MHORFTMASA-N 1 3 319.493 2.262 20 30 DEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001095525407 799648289 /nfs/dbraw/zinc/64/82/89/799648289.db2.gz PDZXRIOXUUDDGK-MHORFTMASA-N 1 3 319.493 2.262 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203316654 800036014 /nfs/dbraw/zinc/03/60/14/800036014.db2.gz IJISLKHKHMJTQW-KBPBESRZSA-N 1 3 313.873 2.098 20 30 DEEDHO C=CC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203420790 800045075 /nfs/dbraw/zinc/04/50/75/800045075.db2.gz XDVYDXQMZXQFEM-HUUCEWRRSA-N 1 3 307.482 2.167 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203514887 800067082 /nfs/dbraw/zinc/06/70/82/800067082.db2.gz PHLTXYGIDYAYIY-KBPBESRZSA-N 1 3 313.873 2.098 20 30 DEEDHO CN(C)c1ccc(CN2CCC[C@@](F)(C[NH3+])CC2)c(F)c1C#N ZINC001205579618 800379616 /nfs/dbraw/zinc/37/96/16/800379616.db2.gz OQMGVWPDXUWDLA-KRWDZBQOSA-N 1 3 322.403 2.416 20 30 DEEDHO C=CCO[C@@H]1CO[C@]2(C1)CCCN(C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001208609950 801031183 /nfs/dbraw/zinc/03/11/83/801031183.db2.gz XPQBCBMRJFTWQJ-SQNIBIBYSA-N 1 3 308.466 2.154 20 30 DEEDHO C=CCO[C@@H]1CO[C@]2(C1)CCCN(C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001208609950 801031190 /nfs/dbraw/zinc/03/11/90/801031190.db2.gz XPQBCBMRJFTWQJ-SQNIBIBYSA-N 1 3 308.466 2.154 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001229807892 801322957 /nfs/dbraw/zinc/32/29/57/801322957.db2.gz IPIHXYAALWIIRH-HUUCEWRRSA-N 1 3 315.889 2.488 20 30 DEEDHO Cc1cc(C#N)c(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)s1 ZINC001218555127 802204841 /nfs/dbraw/zinc/20/48/41/802204841.db2.gz OMQPFSHXOVFWNP-ZDUSSCGKSA-N 1 3 308.451 2.362 20 30 DEEDHO CCc1cc(NC(=O)[C@@H](N)CCCC[NH3+])cc(CC)c1C#N ZINC001219114245 802283912 /nfs/dbraw/zinc/28/39/12/802283912.db2.gz FHHHEFGRXLSDJA-INIZCTEOSA-N 1 3 302.422 2.078 20 30 DEEDHO C#CCN1CCC(C(=O)NCC2([NH2+]C[C@H](C)CC)CCC2)CC1 ZINC001502029429 1059885919 /nfs/dbraw/zinc/88/59/19/1059885919.db2.gz XQBVXJQMZPMXMK-MRXNPFEDSA-N 1 3 319.493 2.006 20 30 DEEDHO C#CCN1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001502129493 1059971336 /nfs/dbraw/zinc/97/13/36/1059971336.db2.gz GVBQRMJMFHNPBI-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001479835596 1061868843 /nfs/dbraw/zinc/86/88/43/1061868843.db2.gz XWKCVJAOJMXHNZ-GJZGRUSLSA-N 1 3 315.889 2.440 20 30 DEEDHO C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001479835596 1061868860 /nfs/dbraw/zinc/86/88/60/1061868860.db2.gz XWKCVJAOJMXHNZ-GJZGRUSLSA-N 1 3 315.889 2.440 20 30 DEEDHO C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001480051605 1062244218 /nfs/dbraw/zinc/24/42/18/1062244218.db2.gz SQYWTLLMTWMZBP-SJORKVTESA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001506817034 1062407109 /nfs/dbraw/zinc/40/71/09/1062407109.db2.gz BUDFGVLORFXAON-XLAORIBOSA-N 1 3 319.493 2.121 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001506817034 1062407121 /nfs/dbraw/zinc/40/71/21/1062407121.db2.gz BUDFGVLORFXAON-XLAORIBOSA-N 1 3 319.493 2.121 20 30 DEEDHO C=CCN[C@@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)c1ccccc1 ZINC001567660319 1064326028 /nfs/dbraw/zinc/32/60/28/1064326028.db2.gz YDXMLQXWVDOFJH-ZWKOTPCHSA-N 1 3 315.461 2.494 20 30 DEEDHO C=CCN[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)c1ccccc1 ZINC001567660319 1064326033 /nfs/dbraw/zinc/32/60/33/1064326033.db2.gz YDXMLQXWVDOFJH-ZWKOTPCHSA-N 1 3 315.461 2.494 20 30 DEEDHO C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001567976716 1064573799 /nfs/dbraw/zinc/57/37/99/1064573799.db2.gz IWGJDOKSJWYQGK-WMLDXEAASA-N 1 3 313.461 2.259 20 30 DEEDHO C#CCC[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CCCCC1 ZINC001568344205 1064791937 /nfs/dbraw/zinc/79/19/37/1064791937.db2.gz WXWXOGGULFYJND-KRWDZBQOSA-N 1 3 319.493 2.149 20 30 DEEDHO CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001568393631 1064832909 /nfs/dbraw/zinc/83/29/09/1064832909.db2.gz PDDMXWHVMODACV-KRWDZBQOSA-N 1 3 321.509 2.348 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001569269424 1065404503 /nfs/dbraw/zinc/40/45/03/1065404503.db2.gz WKJPDLKRJGYUKA-UHFFFAOYSA-N 1 3 301.862 2.053 20 30 DEEDHO C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001570005139 1065874078 /nfs/dbraw/zinc/87/40/78/1065874078.db2.gz MEGHQKLCNUFAQP-DLBZAZTESA-N 1 3 307.482 2.123 20 30 DEEDHO C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001498488552 1066741322 /nfs/dbraw/zinc/74/13/22/1066741322.db2.gz IHIKJSKGYQJVTG-HZPDHXFCSA-N 1 3 309.498 2.415 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001267070174 1078545437 /nfs/dbraw/zinc/54/54/37/1078545437.db2.gz JOGYYNNYTMKKPF-KRWDZBQOSA-N 1 3 315.461 2.376 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001267267888 1078714254 /nfs/dbraw/zinc/71/42/54/1078714254.db2.gz TULGPYXNTGDKDZ-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001267267888 1078714257 /nfs/dbraw/zinc/71/42/57/1078714257.db2.gz TULGPYXNTGDKDZ-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[NH+]1CCC([C@@H](C)NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001571645894 1068457394 /nfs/dbraw/zinc/45/73/94/1068457394.db2.gz XSXYVEYDJVQLJZ-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001267302962 1078749337 /nfs/dbraw/zinc/74/93/37/1078749337.db2.gz JCRBAVQFPINYKS-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001267302962 1078749341 /nfs/dbraw/zinc/74/93/41/1078749341.db2.gz JCRBAVQFPINYKS-IRXDYDNUSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CC[C@@]1(C(=O)N(C)CCCN(C)Cc2ccco2)CCC[NH2+]1 ZINC001574888474 1069286566 /nfs/dbraw/zinc/28/65/66/1069286566.db2.gz FPIKFVWSSZSPTD-SFHVURJKSA-N 1 3 319.449 2.258 20 30 DEEDHO C=CCCC1(C[NH2+]C[C@H]2CCCN(C(=O)CN)C2)CCCC1 ZINC001574901693 1069291610 /nfs/dbraw/zinc/29/16/10/1069291610.db2.gz PKLBVTWGPYQEOR-MRXNPFEDSA-N 1 3 307.482 2.300 20 30 DEEDHO C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001566955381 1075398338 /nfs/dbraw/zinc/39/83/38/1075398338.db2.gz LTVMFILLBCJNTL-MSOLQXFVSA-N 1 3 319.493 2.197 20 30 DEEDHO C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001567163817 1075449288 /nfs/dbraw/zinc/44/92/88/1075449288.db2.gz HWXJKHKEPZKZEM-IRXDYDNUSA-N 1 3 319.493 2.291 20 30 DEEDHO CC#CCN[C@@H](C)c1ccc(CNC(=O)CCC[NH+](C)C)cc1 ZINC001484561576 1079661773 /nfs/dbraw/zinc/66/17/73/1079661773.db2.gz ODJCWIJFCFGKCK-INIZCTEOSA-N 1 3 315.461 2.319 20 30 DEEDHO C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001485068665 1079946367 /nfs/dbraw/zinc/94/63/67/1079946367.db2.gz GKHPDBBASORVRJ-IRXDYDNUSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001485068665 1079946369 /nfs/dbraw/zinc/94/63/69/1079946369.db2.gz GKHPDBBASORVRJ-IRXDYDNUSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@@H+](C)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001481521866 1079992375 /nfs/dbraw/zinc/99/23/75/1079992375.db2.gz VHZLBOVVSURZQW-UHFFFAOYSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCCC[N@H+](C)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001481521866 1079992377 /nfs/dbraw/zinc/99/23/77/1079992377.db2.gz VHZLBOVVSURZQW-UHFFFAOYSA-N 1 3 309.498 2.463 20 30 DEEDHO CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001656108943 1080047539 /nfs/dbraw/zinc/04/75/39/1080047539.db2.gz AOHYDLMOVLUHMI-IAGOWNOFSA-N 1 3 309.498 2.441 20 30 DEEDHO CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001656108943 1080047549 /nfs/dbraw/zinc/04/75/49/1080047549.db2.gz AOHYDLMOVLUHMI-IAGOWNOFSA-N 1 3 309.498 2.441 20 30 DEEDHO C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCN1C(C)C ZINC001268106513 1080077838 /nfs/dbraw/zinc/07/78/38/1080077838.db2.gz UTFBLYFOHFZLEF-IAGOWNOFSA-N 1 3 307.482 2.003 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@H]21 ZINC001656653185 1080110462 /nfs/dbraw/zinc/11/04/62/1080110462.db2.gz WHOCMRUURDJGAF-NJAFHUGGSA-N 1 3 319.493 2.262 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@H]21 ZINC001656653185 1080110470 /nfs/dbraw/zinc/11/04/70/1080110470.db2.gz WHOCMRUURDJGAF-NJAFHUGGSA-N 1 3 319.493 2.262 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]2C1 ZINC001656817308 1080127707 /nfs/dbraw/zinc/12/77/07/1080127707.db2.gz AJRMOPYGJPZSKI-IXDOHACOSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]2C1 ZINC001656817308 1080127710 /nfs/dbraw/zinc/12/77/10/1080127710.db2.gz AJRMOPYGJPZSKI-IXDOHACOSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001268747779 1080967086 /nfs/dbraw/zinc/96/70/86/1080967086.db2.gz UKQRYXPFYQHZAA-RHSMWYFYSA-N 1 3 313.461 2.212 20 30 DEEDHO C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001268747779 1080967093 /nfs/dbraw/zinc/96/70/93/1080967093.db2.gz UKQRYXPFYQHZAA-RHSMWYFYSA-N 1 3 313.461 2.212 20 30 DEEDHO C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001668178846 1081324572 /nfs/dbraw/zinc/32/45/72/1081324572.db2.gz NGWHLBVPVYVKFX-HUUCEWRRSA-N 1 3 315.889 2.345 20 30 DEEDHO C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001668178846 1081324577 /nfs/dbraw/zinc/32/45/77/1081324577.db2.gz NGWHLBVPVYVKFX-HUUCEWRRSA-N 1 3 315.889 2.345 20 30 DEEDHO C#CCC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1CCCCC1 ZINC001482411739 1081800586 /nfs/dbraw/zinc/80/05/86/1081800586.db2.gz AAECLBWSIKLVLM-ZWKOTPCHSA-N 1 3 321.509 2.251 20 30 DEEDHO C=C(C)CN(CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001266617667 1082220901 /nfs/dbraw/zinc/22/09/01/1082220901.db2.gz SCBGIOYXXQFPQX-DOTOQJQBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266768037 1082331842 /nfs/dbraw/zinc/33/18/42/1082331842.db2.gz WRGJPWHWNYGOAX-IAGOWNOFSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266768037 1082331849 /nfs/dbraw/zinc/33/18/49/1082331849.db2.gz WRGJPWHWNYGOAX-IAGOWNOFSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC)N(C)C)CCC[C@@H]12 ZINC001107553979 1083478382 /nfs/dbraw/zinc/47/83/82/1083478382.db2.gz SNMQSWFGQBJIES-LZLYRXPVSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)N(C)C)CCC[C@@H]12 ZINC001107553979 1083478388 /nfs/dbraw/zinc/47/83/88/1083478388.db2.gz SNMQSWFGQBJIES-LZLYRXPVSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CC[N@@H+](CCNC(=O)CN(C)CCC)C1CCCCCC1 ZINC001670976504 1084180592 /nfs/dbraw/zinc/18/05/92/1084180592.db2.gz BBIIREFIBCMWNN-UHFFFAOYSA-N 1 3 307.482 2.102 20 30 DEEDHO C#CC[N@H+](CCNC(=O)CN(C)CCC)C1CCCCCC1 ZINC001670976504 1084180596 /nfs/dbraw/zinc/18/05/96/1084180596.db2.gz BBIIREFIBCMWNN-UHFFFAOYSA-N 1 3 307.482 2.102 20 30 DEEDHO N#CCCCC[N@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001277947969 1084441601 /nfs/dbraw/zinc/44/16/01/1084441601.db2.gz CHSXNXAQQDOYPA-CALCHBBNSA-N 1 3 301.438 2.247 20 30 DEEDHO N#CCCCC[N@@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001277947969 1084441604 /nfs/dbraw/zinc/44/16/04/1084441604.db2.gz CHSXNXAQQDOYPA-CALCHBBNSA-N 1 3 301.438 2.247 20 30 DEEDHO C=CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001078626819 1084771537 /nfs/dbraw/zinc/77/15/37/1084771537.db2.gz UXVUXPSWGRWMRO-JKSUJKDBSA-N 1 3 319.493 2.454 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC000961950391 1085918706 /nfs/dbraw/zinc/91/87/06/1085918706.db2.gz XDAAJGZZWJGUGK-XDNAFOTISA-N 1 3 319.493 2.262 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC000961950391 1085918710 /nfs/dbraw/zinc/91/87/10/1085918710.db2.gz XDAAJGZZWJGUGK-XDNAFOTISA-N 1 3 319.493 2.262 20 30 DEEDHO C=C(C)C[NH2+]CC[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001273205400 1090004921 /nfs/dbraw/zinc/00/49/21/1090004921.db2.gz ZZOXGMVMNPDGGH-HNNXBMFYSA-N 1 3 303.450 2.422 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]21 ZINC001084964911 1090550249 /nfs/dbraw/zinc/55/02/49/1090550249.db2.gz XWPONLITMAPBIX-IKGGRYGDSA-N 1 3 307.482 2.072 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]21 ZINC001084964911 1090550257 /nfs/dbraw/zinc/55/02/57/1090550257.db2.gz XWPONLITMAPBIX-IKGGRYGDSA-N 1 3 307.482 2.072 20 30 DEEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@@H]21 ZINC001084977852 1090556812 /nfs/dbraw/zinc/55/68/12/1090556812.db2.gz IOUIGSZKKMJLOS-KURKYZTESA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@@H]21 ZINC001084977852 1090556814 /nfs/dbraw/zinc/55/68/14/1090556814.db2.gz IOUIGSZKKMJLOS-KURKYZTESA-N 1 3 319.493 2.216 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]21 ZINC001085025146 1090600076 /nfs/dbraw/zinc/60/00/76/1090600076.db2.gz GOMXVLLZNAIQOM-FGTMMUONSA-N 1 3 321.509 2.462 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]21 ZINC001085025146 1090600079 /nfs/dbraw/zinc/60/00/79/1090600079.db2.gz GOMXVLLZNAIQOM-FGTMMUONSA-N 1 3 321.509 2.462 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001490580381 1093428256 /nfs/dbraw/zinc/42/82/56/1093428256.db2.gz YSHPDURFKUFEHU-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001490580381 1093428260 /nfs/dbraw/zinc/42/82/60/1093428260.db2.gz YSHPDURFKUFEHU-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001490595640 1093435875 /nfs/dbraw/zinc/43/58/75/1093435875.db2.gz PIDKWIWTYKRYNX-HOTGVXAUSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001329625881 1148944972 /nfs/dbraw/zinc/94/49/72/1148944972.db2.gz YEIGLSJZAIKCQA-HNNXBMFYSA-N 1 3 303.450 2.374 20 30 DEEDHO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001329625881 1148944984 /nfs/dbraw/zinc/94/49/84/1148944984.db2.gz YEIGLSJZAIKCQA-HNNXBMFYSA-N 1 3 303.450 2.374 20 30 DEEDHO C[C@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CN1 ZINC001246359318 1140888240 /nfs/dbraw/zinc/88/82/40/1140888240.db2.gz AMYLCHZCLIPIKE-KXBFYZLASA-N 1 3 312.461 2.253 20 30 DEEDHO C[C@H]1CC[C@H](NC2CCN(Cc3ccccc3C#N)CC2)C[NH2+]1 ZINC001246359318 1140888241 /nfs/dbraw/zinc/88/82/41/1140888241.db2.gz AMYLCHZCLIPIKE-KXBFYZLASA-N 1 3 312.461 2.253 20 30 DEEDHO C=CCN1C(=O)CCC[C@@]12CCCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246708572 1141040135 /nfs/dbraw/zinc/04/01/35/1141040135.db2.gz QETFJXALKFQBKP-RZRMAFQFSA-N 1 3 317.477 2.303 20 30 DEEDHO C=CCOC[C@@]12CCCO[C@H]1CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246723999 1141047040 /nfs/dbraw/zinc/04/70/40/1141047040.db2.gz SVQGRYIISBQRIB-VUXNLXKLSA-N 1 3 320.477 2.343 20 30 DEEDHO C=CCCCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001323287749 1141837651 /nfs/dbraw/zinc/83/76/51/1141837651.db2.gz UHIDDWFEUBTWHA-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001323287749 1141837652 /nfs/dbraw/zinc/83/76/52/1141837652.db2.gz UHIDDWFEUBTWHA-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCN1C(C)C)C1CCCC1 ZINC001324470900 1142083830 /nfs/dbraw/zinc/08/38/30/1142083830.db2.gz TXWAOXADEZVQBL-ZWKOTPCHSA-N 1 3 319.493 2.147 20 30 DEEDHO C=CCN1CCC[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001278693562 1142840368 /nfs/dbraw/zinc/84/03/68/1142840368.db2.gz MXZBMUSGIOVFAW-SFHVURJKSA-N 1 3 307.482 2.267 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001265306046 1144689279 /nfs/dbraw/zinc/68/92/79/1144689279.db2.gz ISTGIHVYJHMEHE-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001265306046 1144689280 /nfs/dbraw/zinc/68/92/80/1144689280.db2.gz ISTGIHVYJHMEHE-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001279410523 1144822117 /nfs/dbraw/zinc/82/21/17/1144822117.db2.gz ZIAUOTCASMFMJZ-WNRNVDISSA-N 1 3 321.509 2.318 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001279410523 1144822118 /nfs/dbraw/zinc/82/21/18/1144822118.db2.gz ZIAUOTCASMFMJZ-WNRNVDISSA-N 1 3 321.509 2.318 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001280374200 1144837245 /nfs/dbraw/zinc/83/72/45/1144837245.db2.gz OHRCKBKMIFEPRO-ULQDDVLXSA-N 1 3 307.482 2.169 20 30 DEEDHO C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001316690046 1147319159 /nfs/dbraw/zinc/31/91/59/1147319159.db2.gz ZMHAUWOBDHOBOH-ZFWWWQNUSA-N 1 3 315.889 2.297 20 30 DEEDHO C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)Cc2nc[nH]c2C)CC1 ZINC001317008146 1147647662 /nfs/dbraw/zinc/64/76/62/1147647662.db2.gz UNTMQSCDEIJRCU-MRXNPFEDSA-N 1 3 316.449 2.198 20 30 DEEDHO C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001317509298 1147717845 /nfs/dbraw/zinc/71/78/45/1147717845.db2.gz HTUVVFBDEVIOQJ-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001317509298 1147717847 /nfs/dbraw/zinc/71/78/47/1147717847.db2.gz HTUVVFBDEVIOQJ-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001317869868 1147759407 /nfs/dbraw/zinc/75/94/07/1147759407.db2.gz ZKHCYQUIRGHKIS-KRWDZBQOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001317869868 1147759408 /nfs/dbraw/zinc/75/94/08/1147759408.db2.gz ZKHCYQUIRGHKIS-KRWDZBQOSA-N 1 3 307.482 2.217 20 30 DEEDHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000181500646 356083703 /nfs/dbraw/zinc/08/37/03/356083703.db2.gz PPIXBTVNCCDQMA-JKSUJKDBSA-N 1 3 300.450 2.235 20 30 DEEDHO C[C@H]1C[C@@H](CN2CCN(c3ccsc3C#N)CC2)CC[NH2+]1 ZINC000594735711 358328932 /nfs/dbraw/zinc/32/89/32/358328932.db2.gz NKNHOODBZYYPMF-KBPBESRZSA-N 1 3 304.463 2.130 20 30 DEEDHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(C#N)c1 ZINC000282497296 217041895 /nfs/dbraw/zinc/04/18/95/217041895.db2.gz XWQAODWIYJCCJA-OAHLLOKOSA-N 1 3 300.450 2.235 20 30 DEEDHO C#CCOc1ccccc1CNC[C@H](CC[NH+](C)C)OCC ZINC000267847699 206301138 /nfs/dbraw/zinc/30/11/38/206301138.db2.gz DLUTXKVATFDRAG-KRWDZBQOSA-N 1 3 304.434 2.145 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCC[N@@H+](C)[C@H](C)CC)CC1 ZINC000106271730 194193454 /nfs/dbraw/zinc/19/34/54/194193454.db2.gz YLRIQUDSEBNEHO-OAHLLOKOSA-N 1 3 310.486 2.056 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCC[N@H+](C)[C@H](C)CC)CC1 ZINC000106271730 194193455 /nfs/dbraw/zinc/19/34/55/194193455.db2.gz YLRIQUDSEBNEHO-OAHLLOKOSA-N 1 3 310.486 2.056 20 30 DEEDHO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424154382 533323683 /nfs/dbraw/zinc/32/36/83/533323683.db2.gz LSFWELCAKWTGPE-ZBFHGGJFSA-N 1 3 316.449 2.253 20 30 DEEDHO CN(Cc1ccc(C#N)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626219 133337782 /nfs/dbraw/zinc/33/77/82/133337782.db2.gz MBBYGAALUVBOET-OAHLLOKOSA-N 1 3 318.490 2.220 20 30 DEEDHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(C#N)s1 ZINC000349063606 146346371 /nfs/dbraw/zinc/34/63/71/146346371.db2.gz QXDLEPNUFMTCIB-UHFFFAOYSA-N 1 3 306.479 2.078 20 30 DEEDHO C=C[C@](C)(CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000134996593 401923285 /nfs/dbraw/zinc/92/32/85/401923285.db2.gz PCYLEZTUFIHHJH-GOSISDBHSA-N 1 3 307.482 2.264 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nc(C(C)C)cs1 ZINC000123694432 402141889 /nfs/dbraw/zinc/14/18/89/402141889.db2.gz OHBQFFHKRZXVLT-GFCCVEGCSA-N 1 3 309.483 2.155 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000106338950 402213425 /nfs/dbraw/zinc/21/34/25/402213425.db2.gz APAXTEZYYMADNN-UHFFFAOYSA-N 1 3 322.497 2.058 20 30 DEEDHO C[NH+](C)[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000281083512 403058246 /nfs/dbraw/zinc/05/82/46/403058246.db2.gz BGDUNZURNJYHOH-ZWKOTPCHSA-N 1 3 324.428 2.183 20 30 DEEDHO C=CCN1CCC(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000351902678 403996708 /nfs/dbraw/zinc/99/67/08/403996708.db2.gz VRFLCFBPMDPCAE-OAHLLOKOSA-N 1 3 322.497 2.009 20 30 DEEDHO Cc1cnn([C@@H]2CCN(C(=O)NCC3([NH+](C)C)CCCC3)C2)c1 ZINC000329746146 404438901 /nfs/dbraw/zinc/43/89/01/404438901.db2.gz YTJSMHNXVSPHRT-OAHLLOKOSA-N 1 3 319.453 2.227 20 30 DEEDHO N#C[C@H]1CC[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000414305924 404570444 /nfs/dbraw/zinc/57/04/44/404570444.db2.gz NUVCVERDCLLQBM-ROUUACIJSA-N 1 3 313.445 2.295 20 30 DEEDHO C[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)CN(C)C ZINC000291965310 404602600 /nfs/dbraw/zinc/60/26/00/404602600.db2.gz SCNJGXLKJDUKMU-NSHDSACASA-N 1 3 316.371 2.307 20 30 DEEDHO C=CCOc1ccc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414777524 404732668 /nfs/dbraw/zinc/73/26/68/404732668.db2.gz FUUZAVSEJFAXJF-QGZVFWFLSA-N 1 3 316.445 2.439 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C)C[N@@H+](C)CCCC)CC1 ZINC000357753984 404743090 /nfs/dbraw/zinc/74/30/90/404743090.db2.gz YBHVYEUTVYVRBV-INIZCTEOSA-N 1 3 324.513 2.447 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C)C[N@H+](C)CCCC)CC1 ZINC000357753984 404743093 /nfs/dbraw/zinc/74/30/93/404743093.db2.gz YBHVYEUTVYVRBV-INIZCTEOSA-N 1 3 324.513 2.447 20 30 DEEDHO C=CCN1CCC(NC(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000358773651 404775365 /nfs/dbraw/zinc/77/53/65/404775365.db2.gz KEMGSTYHZXDLRB-UHFFFAOYSA-N 1 3 322.497 2.201 20 30 DEEDHO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)C[C@H]1CCN(C)C1 ZINC000435760453 405011946 /nfs/dbraw/zinc/01/19/46/405011946.db2.gz CAMPXXMLSSPWIO-FUHWJXTLSA-N 1 3 318.461 2.038 20 30 DEEDHO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)C[C@H]1CCN(C)C1 ZINC000435760453 405011951 /nfs/dbraw/zinc/01/19/51/405011951.db2.gz CAMPXXMLSSPWIO-FUHWJXTLSA-N 1 3 318.461 2.038 20 30 DEEDHO CN(C)C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(Cl)cc1 ZINC000424171045 405028111 /nfs/dbraw/zinc/02/81/11/405028111.db2.gz IRQVPSDHTXWELW-CABCVRRESA-N 1 3 322.840 2.080 20 30 DEEDHO C=CCN1CCC(NC(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000415974866 404990664 /nfs/dbraw/zinc/99/06/64/404990664.db2.gz RVJRBDTXKNFFAA-UHFFFAOYSA-N 1 3 302.422 2.178 20 30 DEEDHO CC1(C)CCC[N@@H+]1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000457063449 405676281 /nfs/dbraw/zinc/67/62/81/405676281.db2.gz VQFYDHQPCUJCDN-KRWDZBQOSA-N 1 3 324.428 2.231 20 30 DEEDHO CC1(C)CCC[N@H+]1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000457063449 405676287 /nfs/dbraw/zinc/67/62/87/405676287.db2.gz VQFYDHQPCUJCDN-KRWDZBQOSA-N 1 3 324.428 2.231 20 30 DEEDHO C=CC[C@]1(C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000662694696 425714504 /nfs/dbraw/zinc/71/45/04/425714504.db2.gz BGYOJQGKEYPIAY-CRAIPNDOSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)NC1CCC([NH3+])CC1)C(C)C ZINC000417062326 277848400 /nfs/dbraw/zinc/84/84/00/277848400.db2.gz LVEKCQUIUYMFLB-JCYILVPMSA-N 1 3 322.497 2.254 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)C(C)C ZINC000180989458 277849698 /nfs/dbraw/zinc/84/96/98/277849698.db2.gz LGHPEGYVZSPVIQ-WMZOPIPTSA-N 1 3 307.482 2.333 20 30 DEEDHO C=C(C)CN1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001088971131 782089254 /nfs/dbraw/zinc/08/92/54/782089254.db2.gz DMDZTXZAKLBEGG-QAPCUYQASA-N 1 3 319.493 2.264 20 30 DEEDHO N#Cc1ccc(N2CCC[C@@H](N[C@H]3CCC[NH2+]CC3)C2)c(F)c1 ZINC000583078912 337236599 /nfs/dbraw/zinc/23/65/99/337236599.db2.gz ZGRZJDIYZVDLOS-JKSUJKDBSA-N 1 3 316.424 2.398 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)CN1CCCC1)C(C)C ZINC001378392340 1152314825 /nfs/dbraw/zinc/31/48/25/1152314825.db2.gz RMVWZIWLKANCBJ-HNNXBMFYSA-N 1 3 315.889 2.297 20 30 DEEDHO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000442781328 534755916 /nfs/dbraw/zinc/75/59/16/534755916.db2.gz ILPFNJUDWVXIMA-ZWKOTPCHSA-N 1 3 313.445 2.425 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000337638160 526591334 /nfs/dbraw/zinc/59/13/34/526591334.db2.gz DFDCDCKPHUOBMB-MRXNPFEDSA-N 1 3 322.497 2.058 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000337638160 526591340 /nfs/dbraw/zinc/59/13/40/526591340.db2.gz DFDCDCKPHUOBMB-MRXNPFEDSA-N 1 3 322.497 2.058 20 30 DEEDHO C#C[C@@H](NC(=[NH2+])NC[C@@H]1CCCN1CC)c1ccc(Cl)cc1 ZINC000262231525 527195099 /nfs/dbraw/zinc/19/50/99/527195099.db2.gz ABOFHKGELCKRBL-JKSUJKDBSA-N 1 3 318.852 2.403 20 30 DEEDHO CC[NH+]=C(NCCNc1ccncc1)N1CCSC(C)(C)C1 ZINC000261770292 528806985 /nfs/dbraw/zinc/80/69/85/528806985.db2.gz DPKUNOINHIVBOX-UHFFFAOYSA-N 1 3 321.494 2.286 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Cl)ccc1OC ZINC000264109268 529073712 /nfs/dbraw/zinc/07/37/12/529073712.db2.gz QFVPNOPMPWXZIC-CQSZACIVSA-N 1 3 324.856 2.237 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(Cl)s1 ZINC000264114837 529075011 /nfs/dbraw/zinc/07/50/11/529075011.db2.gz SBYHWBQKBNKDOQ-LLVKDONJSA-N 1 3 314.886 2.333 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001022975403 625122832 /nfs/dbraw/zinc/12/28/32/625122832.db2.gz KWBCOUCJIPSCFL-KBXIAJHMSA-N 1 3 313.873 2.096 20 30 DEEDHO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001027692364 634446708 /nfs/dbraw/zinc/44/67/08/634446708.db2.gz GUMNMOANBSCKLZ-KRWDZBQOSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001027692364 634446713 /nfs/dbraw/zinc/44/67/13/634446713.db2.gz GUMNMOANBSCKLZ-KRWDZBQOSA-N 1 3 315.461 2.471 20 30 DEEDHO C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001024613947 625930352 /nfs/dbraw/zinc/93/03/52/625930352.db2.gz DVBXVRFCADQDSP-MSOLQXFVSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001024613947 625930359 /nfs/dbraw/zinc/93/03/59/625930359.db2.gz DVBXVRFCADQDSP-MSOLQXFVSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CC[NH2+]C1CC(N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC000999878063 634698407 /nfs/dbraw/zinc/69/84/07/634698407.db2.gz YSDBNQIQOSLXPB-UHFFFAOYSA-N 1 3 301.434 2.127 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC000978149522 634226576 /nfs/dbraw/zinc/22/65/76/634226576.db2.gz RLXHZIHSFODCIU-ZJPYXAASSA-N 1 3 319.493 2.119 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC000978149522 634226582 /nfs/dbraw/zinc/22/65/82/634226582.db2.gz RLXHZIHSFODCIU-ZJPYXAASSA-N 1 3 319.493 2.119 20 30 DEEDHO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982275934 635935576 /nfs/dbraw/zinc/93/55/76/635935576.db2.gz MWGAOLZZAWEUHM-YTQUADARSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982275934 635935578 /nfs/dbraw/zinc/93/55/78/635935578.db2.gz MWGAOLZZAWEUHM-YTQUADARSA-N 1 3 319.493 2.216 20 30 DEEDHO C=CCN1CCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001028333039 636133612 /nfs/dbraw/zinc/13/36/12/636133612.db2.gz IGLXXYGZEOQQSG-QGZVFWFLSA-N 1 3 301.434 2.128 20 30 DEEDHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1csc(C#N)c1)C2 ZINC000922384561 636151176 /nfs/dbraw/zinc/15/11/76/636151176.db2.gz DFXUSAMUWSPCJC-NCOADZHNSA-N 1 3 319.474 2.189 20 30 DEEDHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1csc(C#N)c1)C2 ZINC000922384561 636151180 /nfs/dbraw/zinc/15/11/80/636151180.db2.gz DFXUSAMUWSPCJC-NCOADZHNSA-N 1 3 319.474 2.189 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001028845382 636784442 /nfs/dbraw/zinc/78/44/42/636784442.db2.gz JWGQBSLRBMGLID-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001028845382 636784444 /nfs/dbraw/zinc/78/44/44/636784444.db2.gz JWGQBSLRBMGLID-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001006233678 637290313 /nfs/dbraw/zinc/29/03/13/637290313.db2.gz YQQQHDGMBPGULX-UHFFFAOYSA-N 1 3 307.482 2.216 20 30 DEEDHO C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC000985801225 639642306 /nfs/dbraw/zinc/64/23/06/639642306.db2.gz BDDFVNJWCBVYBP-QGZVFWFLSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC000985801225 639642310 /nfs/dbraw/zinc/64/23/10/639642310.db2.gz BDDFVNJWCBVYBP-QGZVFWFLSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000900013955 642237173 /nfs/dbraw/zinc/23/71/73/642237173.db2.gz SSXJNYFFFNTLKB-GOSISDBHSA-N 1 3 315.461 2.448 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000900406453 642359682 /nfs/dbraw/zinc/35/96/82/642359682.db2.gz QJJPRJZOAOTERL-QGZVFWFLSA-N 1 3 303.450 2.222 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000900560594 642405632 /nfs/dbraw/zinc/40/56/32/642405632.db2.gz LXTNBKWYAXNMKY-UHFFFAOYSA-N 1 3 317.477 2.393 20 30 DEEDHO CC[NH+](CC)CC#C[C@@H](C)OC(=O)C1CCN(C2CC2)CC1 ZINC000788202634 643576901 /nfs/dbraw/zinc/57/69/01/643576901.db2.gz GJJLOYIDSKNFNV-OAHLLOKOSA-N 1 3 306.450 2.138 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC000948775712 646626794 /nfs/dbraw/zinc/62/67/94/646626794.db2.gz PCUPNPNQGDTURM-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC000948775712 646626798 /nfs/dbraw/zinc/62/67/98/646626798.db2.gz PCUPNPNQGDTURM-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCN1CC[C@@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@H]12 ZINC000992365815 646959557 /nfs/dbraw/zinc/95/95/57/646959557.db2.gz DIZZPBXPEWZIFQ-HKUYNNGSSA-N 1 3 319.493 2.406 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC000992715135 647194411 /nfs/dbraw/zinc/19/44/11/647194411.db2.gz RRRMNOJMTPJUQF-KBAYOESNSA-N 1 3 319.493 2.264 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCC)[C@@H]2C)CC1 ZINC000994491905 647969743 /nfs/dbraw/zinc/96/97/43/647969743.db2.gz AMQALEATFFVNDS-AEFFLSMTSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCCC)[C@@H]2C)CC1 ZINC000994491905 647969746 /nfs/dbraw/zinc/96/97/46/647969746.db2.gz AMQALEATFFVNDS-AEFFLSMTSA-N 1 3 319.493 2.101 20 30 DEEDHO CCO[C@H](CNC(=[NH2+])NC[C@@H]1CCCN1CC)c1ccccc1 ZINC000253355006 685195936 /nfs/dbraw/zinc/19/59/36/685195936.db2.gz AEJNCCZMWSKMGO-DLBZAZTESA-N 1 3 318.465 2.153 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccc(F)cc2)CC1 ZINC000303896144 685238596 /nfs/dbraw/zinc/23/85/96/685238596.db2.gz UHKQMRFZKFYWKN-INIZCTEOSA-N 1 3 318.440 2.246 20 30 DEEDHO C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001016828053 687712209 /nfs/dbraw/zinc/71/22/09/687712209.db2.gz CEQUQWMCRYYUDY-HOTGVXAUSA-N 1 3 305.466 2.018 20 30 DEEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001032581302 689193338 /nfs/dbraw/zinc/19/33/38/689193338.db2.gz PTKGPXAPFRJGFB-BZSNNMDCSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001032581302 689193339 /nfs/dbraw/zinc/19/33/39/689193339.db2.gz PTKGPXAPFRJGFB-BZSNNMDCSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033354056 689474035 /nfs/dbraw/zinc/47/40/35/689474035.db2.gz MJWMYKBQAIIFTP-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001033354056 689474040 /nfs/dbraw/zinc/47/40/40/689474040.db2.gz MJWMYKBQAIIFTP-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CN1CCCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034258488 689785166 /nfs/dbraw/zinc/78/51/66/689785166.db2.gz XWUXIJHWZSJIKC-QGZVFWFLSA-N 1 3 319.493 2.409 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001034704237 689930268 /nfs/dbraw/zinc/93/02/68/689930268.db2.gz LNGBYLPPUBNATK-WKILWMFISA-N 1 3 307.482 2.454 20 30 DEEDHO C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035166135 690046238 /nfs/dbraw/zinc/04/62/38/690046238.db2.gz HZNQNGQNXWHVEI-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035166135 690046241 /nfs/dbraw/zinc/04/62/41/690046241.db2.gz HZNQNGQNXWHVEI-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO CC1([NH+]2CCCCC2)CCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000877298856 690069836 /nfs/dbraw/zinc/06/98/36/690069836.db2.gz CXEOQOVSACNHJF-MRXNPFEDSA-N 1 3 320.481 2.265 20 30 DEEDHO C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](CC)N(C)C)CC2 ZINC001035733040 690163426 /nfs/dbraw/zinc/16/34/26/690163426.db2.gz MFDFUIBTTRCZMZ-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001036055657 690247832 /nfs/dbraw/zinc/24/78/32/690247832.db2.gz QQZCDBMFKSOWTC-OCCSQVGLSA-N 1 3 313.873 2.050 20 30 DEEDHO C=CC[NH2+][C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001036300196 690314955 /nfs/dbraw/zinc/31/49/55/690314955.db2.gz AFFDDOWIKLDUMA-QAPCUYQASA-N 1 3 315.461 2.374 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC ZINC001037848238 690622100 /nfs/dbraw/zinc/62/21/00/690622100.db2.gz BMRPHFWKOBZPIC-HZPDHXFCSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001039161032 691036062 /nfs/dbraw/zinc/03/60/62/691036062.db2.gz GOLSOWPCFOZWDD-INIZCTEOSA-N 1 3 316.449 2.089 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001039161032 691036063 /nfs/dbraw/zinc/03/60/63/691036063.db2.gz GOLSOWPCFOZWDD-INIZCTEOSA-N 1 3 316.449 2.089 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041377675 691368901 /nfs/dbraw/zinc/36/89/01/691368901.db2.gz CVDLGYCPAVOTEI-HKUYNNGSSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041377675 691368904 /nfs/dbraw/zinc/36/89/04/691368904.db2.gz CVDLGYCPAVOTEI-HKUYNNGSSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001041403274 691371826 /nfs/dbraw/zinc/37/18/26/691371826.db2.gz OFHOHJKSVQOSKG-SJLPKXTDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001041403274 691371827 /nfs/dbraw/zinc/37/18/27/691371827.db2.gz OFHOHJKSVQOSKG-SJLPKXTDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@@H]1CCCO1 ZINC000883220961 691460139 /nfs/dbraw/zinc/46/01/39/691460139.db2.gz RSAVYCIMIVXXSH-SJORKVTESA-N 1 3 309.498 2.116 20 30 DEEDHO C=C(C)CN1CC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001042132742 691517270 /nfs/dbraw/zinc/51/72/70/691517270.db2.gz HUYGMEIJHJKDTJ-DLBZAZTESA-N 1 3 317.477 2.114 20 30 DEEDHO C=CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001052376874 693518521 /nfs/dbraw/zinc/51/85/21/693518521.db2.gz KFNBPZMKJCRKGI-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001052376874 693518524 /nfs/dbraw/zinc/51/85/24/693518524.db2.gz KFNBPZMKJCRKGI-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001052764415 693614601 /nfs/dbraw/zinc/61/46/01/693614601.db2.gz OUTYQYPMJJLDMH-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001052764415 693614603 /nfs/dbraw/zinc/61/46/03/693614603.db2.gz OUTYQYPMJJLDMH-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(Cl)CN[C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001402322006 1162324692 /nfs/dbraw/zinc/32/46/92/1162324692.db2.gz WBDXMZVPWOKSQM-HUUCEWRRSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(Cl)CN[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001402322006 1162324695 /nfs/dbraw/zinc/32/46/95/1162324695.db2.gz WBDXMZVPWOKSQM-HUUCEWRRSA-N 1 3 313.873 2.096 20 30 DEEDHO C=C(C)CN1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001332217565 1149836353 /nfs/dbraw/zinc/83/63/53/1149836353.db2.gz IHRRNEIQDYLNKI-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(Cl)CNCC1(NC(=O)CC[N@@H+](C)CC)CCCCC1 ZINC001381735407 1153199757 /nfs/dbraw/zinc/19/97/57/1153199757.db2.gz LIIYKCJLTOBNAF-UHFFFAOYSA-N 1 3 315.889 2.489 20 30 DEEDHO C=C(Cl)CNCC1(NC(=O)CC[N@H+](C)CC)CCCCC1 ZINC001381735407 1153199761 /nfs/dbraw/zinc/19/97/61/1153199761.db2.gz LIIYKCJLTOBNAF-UHFFFAOYSA-N 1 3 315.889 2.489 20 30 DEEDHO C=C(Cl)CNC[C@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001370963449 1155654377 /nfs/dbraw/zinc/65/43/77/1155654377.db2.gz NBCCTOTXMQWCNJ-CABCVRRESA-N 1 3 315.889 2.296 20 30 DEEDHO C=C(Cl)CNC[C@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001392764933 1157396313 /nfs/dbraw/zinc/39/63/13/1157396313.db2.gz MZNYLMYZUDGPBT-LSDHHAIUSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CNC[C@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001392764933 1157396321 /nfs/dbraw/zinc/39/63/21/1157396321.db2.gz MZNYLMYZUDGPBT-LSDHHAIUSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001394855847 1158814873 /nfs/dbraw/zinc/81/48/73/1158814873.db2.gz RJWZAQIIRVLYHT-NRXISQOPSA-N 1 3 315.889 2.438 20 30 DEEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001439766102 1181227620 /nfs/dbraw/zinc/22/76/20/1181227620.db2.gz UHTXKUYGODVMMG-UONOGXRCSA-N 1 3 301.862 2.048 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001444373603 1183361970 /nfs/dbraw/zinc/36/19/70/1183361970.db2.gz ICYPXRCEUVCDBB-DZGCQCFKSA-N 1 3 315.889 2.344 20 30 DEEDHO C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001099116121 782226250 /nfs/dbraw/zinc/22/62/50/782226250.db2.gz OALOJFDSRKUSCM-SJORKVTESA-N 1 3 321.509 2.203 20 30 DEEDHO C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001099116121 782226255 /nfs/dbraw/zinc/22/62/55/782226255.db2.gz OALOJFDSRKUSCM-SJORKVTESA-N 1 3 321.509 2.203 20 30 DEEDHO C#CCCN(C)CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C(C)C ZINC001332736106 1149886355 /nfs/dbraw/zinc/88/63/55/1149886355.db2.gz WCVRDHQBNOBKAK-ROUUACIJSA-N 1 3 319.493 2.195 20 30 DEEDHO C#CCCN(C)CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C(C)C ZINC001332736106 1149886357 /nfs/dbraw/zinc/88/63/57/1149886357.db2.gz WCVRDHQBNOBKAK-ROUUACIJSA-N 1 3 319.493 2.195 20 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C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC000982298086 778764271 /nfs/dbraw/zinc/76/42/71/778764271.db2.gz ZPGIVYRZUHYLQU-KDURUIRLSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC000982298086 778764274 /nfs/dbraw/zinc/76/42/74/778764274.db2.gz ZPGIVYRZUHYLQU-KDURUIRLSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001087994851 779620890 /nfs/dbraw/zinc/62/08/90/779620890.db2.gz GOCDNMGKTHDUBU-SJORKVTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001087994851 779620897 /nfs/dbraw/zinc/62/08/97/779620897.db2.gz GOCDNMGKTHDUBU-SJORKVTESA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCN2CCC)C1 ZINC001088323397 779952409 /nfs/dbraw/zinc/95/24/09/779952409.db2.gz NDIWDDHPTYCXGA-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO CCOC(=O)C1(C#N)CCN(C2CCC([NH+](C)C)CC2)CC1 ZINC001168328461 780844138 /nfs/dbraw/zinc/84/41/38/780844138.db2.gz HKIYTFRGWVRCOX-UHFFFAOYSA-N 1 3 307.438 2.028 20 30 DEEDHO C=CCN1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001076603989 781321173 /nfs/dbraw/zinc/32/11/73/781321173.db2.gz HCZKFBSQVPFLIZ-ZWKOTPCHSA-N 1 3 313.445 2.081 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001085393854 783667893 /nfs/dbraw/zinc/66/78/93/783667893.db2.gz MYKALVGRUUIJCZ-RBSFLKMASA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001085393854 783667896 /nfs/dbraw/zinc/66/78/96/783667896.db2.gz MYKALVGRUUIJCZ-RBSFLKMASA-N 1 3 313.873 2.098 20 30 DEEDHO C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001085985032 784288853 /nfs/dbraw/zinc/28/88/53/784288853.db2.gz REBNDGMWVADKQZ-SFHVURJKSA-N 1 3 315.461 2.471 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001085985032 784288859 /nfs/dbraw/zinc/28/88/59/784288859.db2.gz REBNDGMWVADKQZ-SFHVURJKSA-N 1 3 315.461 2.471 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001007327435 784888672 /nfs/dbraw/zinc/88/86/72/784888672.db2.gz NUUBVDDCMOMPRV-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001007327435 784888681 /nfs/dbraw/zinc/88/86/81/784888681.db2.gz NUUBVDDCMOMPRV-IAGOWNOFSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCN1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001007751410 784991697 /nfs/dbraw/zinc/99/16/97/784991697.db2.gz ZHGBGKNCLDFXOX-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCN1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001007751410 784991704 /nfs/dbraw/zinc/99/17/04/784991704.db2.gz ZHGBGKNCLDFXOX-IRXDYDNUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001008052746 785091618 /nfs/dbraw/zinc/09/16/18/785091618.db2.gz OPCKOOMASSXALS-SJORKVTESA-N 1 3 305.466 2.018 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001008052746 785091629 /nfs/dbraw/zinc/09/16/29/785091629.db2.gz OPCKOOMASSXALS-SJORKVTESA-N 1 3 305.466 2.018 20 30 DEEDHO C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCCCCC)C2 ZINC001108780415 785536053 /nfs/dbraw/zinc/53/60/53/785536053.db2.gz AAPOVOIYKOZBLE-BZSNNMDCSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CN1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132524508 788113930 /nfs/dbraw/zinc/11/39/30/788113930.db2.gz IEPJJABKMHEOQV-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146584701 791310386 /nfs/dbraw/zinc/31/03/86/791310386.db2.gz UNEGBMSFFITSNI-HOTGVXAUSA-N 1 3 315.461 2.258 20 30 DEEDHO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146625547 791326135 /nfs/dbraw/zinc/32/61/35/791326135.db2.gz YUOWATLDQQVWKM-GJZGRUSLSA-N 1 3 303.450 2.421 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)CN(C)CCC)C2)C1 ZINC001148651618 791781443 /nfs/dbraw/zinc/78/14/43/791781443.db2.gz KTULUGMYPBAMTK-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CN(C)CCC)C2)C1 ZINC001148651618 791781446 /nfs/dbraw/zinc/78/14/46/791781446.db2.gz KTULUGMYPBAMTK-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001086941776 791856987 /nfs/dbraw/zinc/85/69/87/791856987.db2.gz BGESGKNTWOHDEK-IRXDYDNUSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCN2CCC)[C@H](C)C1 ZINC001092658367 792103122 /nfs/dbraw/zinc/10/31/22/792103122.db2.gz RICZVDYHIIYTEZ-ZACQAIPSSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCN2CCC)[C@H](C)C1 ZINC001092658367 792103127 /nfs/dbraw/zinc/10/31/27/792103127.db2.gz RICZVDYHIIYTEZ-ZACQAIPSSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001100405761 792631805 /nfs/dbraw/zinc/63/18/05/792631805.db2.gz LRAHTIKIKHLKHJ-FHERZECASA-N 1 3 307.482 2.310 20 30 DEEDHO CC(C)N1CCN(CC[NH2+][C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172302673 793393388 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321.509 2.369 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103436100 794092139 /nfs/dbraw/zinc/09/21/39/794092139.db2.gz KKHPRLGEXUHMLY-KZNAEPCWSA-N 1 3 321.509 2.369 20 30 DEEDHO C#CC[NH2+]CCCC[C@H](C)NC(=O)CN(C)CCCCCC ZINC001175747886 794277182 /nfs/dbraw/zinc/27/71/82/794277182.db2.gz VXEWYTLTIDEZHT-KRWDZBQOSA-N 1 3 309.498 2.396 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CC(C)C)CC1 ZINC001176738720 794483695 /nfs/dbraw/zinc/48/36/95/794483695.db2.gz RYFWGXAXBOUZCL-KRWDZBQOSA-N 1 3 321.509 2.252 20 30 DEEDHO C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001112399484 794622731 /nfs/dbraw/zinc/62/27/31/794622731.db2.gz WDGPFBQEEGTZGZ-LNLFQRSKSA-N 1 3 319.493 2.121 20 30 DEEDHO C#CCC[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CCCCC1 ZINC001115534928 794812569 /nfs/dbraw/zinc/81/25/69/794812569.db2.gz BSQKJPLMFLEINN-QGZVFWFLSA-N 1 3 319.493 2.291 20 30 DEEDHO C=CCCC[NH2+]CCCCCCNC(=O)Cc1nc[nH]c1C ZINC001180159058 795253266 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C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675776 797055807 /nfs/dbraw/zinc/05/58/07/797055807.db2.gz WSPWGVCUEJVNEF-NVXWUHKLSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675776 797055813 /nfs/dbraw/zinc/05/58/13/797055813.db2.gz WSPWGVCUEJVNEF-NVXWUHKLSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001197049940 798138355 /nfs/dbraw/zinc/13/83/55/798138355.db2.gz ZTOPACNRJFZUAT-IAGOWNOFSA-N 1 3 309.498 2.462 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001197049940 798138356 /nfs/dbraw/zinc/13/83/56/798138356.db2.gz ZTOPACNRJFZUAT-IAGOWNOFSA-N 1 3 309.498 2.462 20 30 DEEDHO C=C(C)CC[N@H+]1CC=C(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001161784063 798935931 /nfs/dbraw/zinc/93/59/31/798935931.db2.gz BWMQPGHJYSJPMF-UHFFFAOYSA-N 1 3 316.449 2.365 20 30 DEEDHO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001161784063 798935936 /nfs/dbraw/zinc/93/59/36/798935936.db2.gz BWMQPGHJYSJPMF-UHFFFAOYSA-N 1 3 316.449 2.365 20 30 DEEDHO C=C(C)C[NH2+]CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001206679458 799202023 /nfs/dbraw/zinc/20/20/23/799202023.db2.gz GBFAJNGOGSBRGV-UHFFFAOYSA-N 1 3 307.482 2.123 20 30 DEEDHO C=CC[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)CCC ZINC001162986849 799215802 /nfs/dbraw/zinc/21/58/02/799215802.db2.gz BPPFOQDIYRFNLG-UHFFFAOYSA-N 1 3 317.477 2.175 20 30 DEEDHO C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203316663 800036553 /nfs/dbraw/zinc/03/65/53/800036553.db2.gz IJISLKHKHMJTQW-ZIAGYGMSSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)C[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001206275609 800500241 /nfs/dbraw/zinc/50/02/41/800500241.db2.gz WWPVSGPMMFDDGB-AWEZNQCLSA-N 1 3 313.873 2.051 20 30 DEEDHO CC#CCN[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001210585640 801426310 /nfs/dbraw/zinc/42/63/10/801426310.db2.gz RNQUMCYGWSAQAD-ZWKOTPCHSA-N 1 3 319.493 2.245 20 30 DEEDHO CC#CCN[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210585640 801426314 /nfs/dbraw/zinc/42/63/14/801426314.db2.gz RNQUMCYGWSAQAD-ZWKOTPCHSA-N 1 3 319.493 2.245 20 30 DEEDHO CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCCN2CCCC)C1 ZINC001210585640 801426316 /nfs/dbraw/zinc/42/63/16/801426316.db2.gz RNQUMCYGWSAQAD-ZWKOTPCHSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230610442 801435222 /nfs/dbraw/zinc/43/52/22/801435222.db2.gz AZIMRXHSMKCMIT-KRWDZBQOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230610442 801435227 /nfs/dbraw/zinc/43/52/27/801435227.db2.gz AZIMRXHSMKCMIT-KRWDZBQOSA-N 1 3 307.482 2.217 20 30 DEEDHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC001218547514 802204418 /nfs/dbraw/zinc/20/44/18/802204418.db2.gz IWEIOYQJUJIFAP-ZDUSSCGKSA-N 1 3 320.462 2.106 20 30 DEEDHO N#Cc1c2ccccc2sc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218649277 802221868 /nfs/dbraw/zinc/22/18/68/802221868.db2.gz VOBOGUFOGWHDSU-LBPRGKRZSA-N 1 3 302.403 2.168 20 30 DEEDHO COc1ccc(C#N)cc1NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001218979494 802269380 /nfs/dbraw/zinc/26/93/80/802269380.db2.gz NMJSFENRKVEWFU-AWEZNQCLSA-N 1 3 318.421 2.001 20 30 DEEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222083583 802639828 /nfs/dbraw/zinc/63/98/28/802639828.db2.gz IHRREPIVMJIHGQ-QZTJIDSGSA-N 1 3 319.493 2.361 20 30 DEEDHO CC#CC[NH2+][C@H](CCNC(=O)[C@H]1CCCCN1CC)C(C)C ZINC001331226190 1149399400 /nfs/dbraw/zinc/39/94/00/1149399400.db2.gz OSPKZBLMGKZCKH-IAGOWNOFSA-N 1 3 307.482 2.005 20 30 DEEDHO C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001328765706 1148832951 /nfs/dbraw/zinc/83/29/51/1148832951.db2.gz NPHJHCXQDPBDEM-ZBFHGGJFSA-N 1 3 304.438 2.230 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001328765706 1148832952 /nfs/dbraw/zinc/83/29/52/1148832952.db2.gz NPHJHCXQDPBDEM-ZBFHGGJFSA-N 1 3 304.438 2.230 20 30 DEEDHO CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)C(C)C)C2 ZINC001500161062 1058536529 /nfs/dbraw/zinc/53/65/29/1058536529.db2.gz GITPYWQPECFBHU-IBGZPJMESA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)C(C)C)C2 ZINC001500161062 1058536552 /nfs/dbraw/zinc/53/65/52/1058536552.db2.gz GITPYWQPECFBHU-IBGZPJMESA-N 1 3 319.493 2.055 20 30 DEEDHO C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C2 ZINC001501168843 1059345508 /nfs/dbraw/zinc/34/55/08/1059345508.db2.gz MGWWACNINXPBGT-BJWYYQGGSA-N 1 3 319.493 2.406 20 30 DEEDHO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C2 ZINC001501168843 1059345529 /nfs/dbraw/zinc/34/55/29/1059345529.db2.gz MGWWACNINXPBGT-BJWYYQGGSA-N 1 3 319.493 2.406 20 30 DEEDHO C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001505436641 1060594906 /nfs/dbraw/zinc/59/49/06/1060594906.db2.gz BBLVZQDLWXXQOQ-SJORKVTESA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001505436641 1060594920 /nfs/dbraw/zinc/59/49/20/1060594920.db2.gz BBLVZQDLWXXQOQ-SJORKVTESA-N 1 3 307.482 2.216 20 30 DEEDHO C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001505473814 1060642858 /nfs/dbraw/zinc/64/28/58/1060642858.db2.gz YQRZAKBHKFYSPV-SJORKVTESA-N 1 3 307.482 2.075 20 30 DEEDHO C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001505473814 1060642870 /nfs/dbraw/zinc/64/28/70/1060642870.db2.gz YQRZAKBHKFYSPV-SJORKVTESA-N 1 3 307.482 2.075 20 30 DEEDHO C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001480102111 1062329899 /nfs/dbraw/zinc/32/98/99/1062329899.db2.gz PGUTUQLGCGFHML-KURKYZTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480102111 1062329913 /nfs/dbraw/zinc/32/99/13/1062329913.db2.gz PGUTUQLGCGFHML-KURKYZTESA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[NH2+][C@@H](CNC(=O)CN(C)C(C)C)c1ccccc1 ZINC001493905310 1064017967 /nfs/dbraw/zinc/01/79/67/1064017967.db2.gz NFGQQSRZNQCWND-KRWDZBQOSA-N 1 3 303.450 2.350 20 30 DEEDHO C#CCCN1CC[C@H](N(CC)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001567942160 1064544871 /nfs/dbraw/zinc/54/48/71/1064544871.db2.gz LFMZYVXYXAZWGQ-DLBZAZTESA-N 1 3 307.482 2.053 20 30 DEEDHO C=CCC[NH2+][C@@H](CC)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001567976830 1064575903 /nfs/dbraw/zinc/57/59/03/1064575903.db2.gz KQGSLOPWSNDOJW-WMLDXEAASA-N 1 3 313.461 2.259 20 30 DEEDHO C#CCC[NH2+]C[C@@]1(NC(=O)CN(C)C(C)C)CCCC[C@H]1C ZINC001568043883 1064615033 /nfs/dbraw/zinc/61/50/33/1064615033.db2.gz QEVFAFQCGMPICH-AEFFLSMTSA-N 1 3 307.482 2.005 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@]2(C[NH2+]CC)CCCC[C@@H]2C)CC1 ZINC001568043518 1064615348 /nfs/dbraw/zinc/61/53/48/1064615348.db2.gz LOKKYMWEAOFIPZ-LPHOPBHVSA-N 1 3 319.493 2.006 20 30 DEEDHO CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001568412279 1064849010 /nfs/dbraw/zinc/84/90/10/1064849010.db2.gz QFKXBEPGMVCPCZ-IRXDYDNUSA-N 1 3 321.509 2.204 20 30 DEEDHO C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001568485404 1064904453 /nfs/dbraw/zinc/90/44/53/1064904453.db2.gz VDKRKGSXNPVUHS-KRWDZBQOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001568485404 1064904459 /nfs/dbraw/zinc/90/44/59/1064904459.db2.gz VDKRKGSXNPVUHS-KRWDZBQOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(Cl)CNC1(CNC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001495940339 1065185905 /nfs/dbraw/zinc/18/59/05/1065185905.db2.gz ZDUFYYDWIOHJGC-UHFFFAOYSA-N 1 3 313.873 2.099 20 30 DEEDHO C=C(Cl)C[NH2+]CCCN(C)C(=O)CN(C)CC(C)(C)C ZINC001569239932 1065387653 /nfs/dbraw/zinc/38/76/53/1065387653.db2.gz NZKYFVHMPJIVJM-UHFFFAOYSA-N 1 3 303.878 2.155 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001569247391 1065393812 /nfs/dbraw/zinc/39/38/12/1065393812.db2.gz NOUDERPQNGYIPI-GJZGRUSLSA-N 1 3 313.873 2.194 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001569247391 1065393817 /nfs/dbraw/zinc/39/38/17/1065393817.db2.gz NOUDERPQNGYIPI-GJZGRUSLSA-N 1 3 313.873 2.194 20 30 DEEDHO C#CCN(C(=O)CN(C)C(C)C)C1CC[NH+](CCC2CC2)CC1 ZINC001569598051 1065614433 /nfs/dbraw/zinc/61/44/33/1065614433.db2.gz UYTYRDSPKSTQJZ-UHFFFAOYSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001569715729 1065687509 /nfs/dbraw/zinc/68/75/09/1065687509.db2.gz QCYNQOVRKYEKKH-HKUYNNGSSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001569715729 1065687516 /nfs/dbraw/zinc/68/75/16/1065687516.db2.gz QCYNQOVRKYEKKH-HKUYNNGSSA-N 1 3 319.493 2.101 20 30 DEEDHO CCCN(CC[NH+]1CCCCCC1)C(=O)[C@@H](N)CCCC#N ZINC001577524152 1066866978 /nfs/dbraw/zinc/86/69/78/1066866978.db2.gz XDDMNEZBGXHMFL-INIZCTEOSA-N 1 3 308.470 2.122 20 30 DEEDHO C#CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001499482347 1067234831 /nfs/dbraw/zinc/23/48/31/1067234831.db2.gz VAFUTQTUTCUDFZ-ROUUACIJSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001499482347 1067234840 /nfs/dbraw/zinc/23/48/40/1067234840.db2.gz VAFUTQTUTCUDFZ-ROUUACIJSA-N 1 3 319.493 2.053 20 30 DEEDHO N#CCCC[C@H](N)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001580047836 1067482261 /nfs/dbraw/zinc/48/22/61/1067482261.db2.gz PYXRJAQIQJHACY-KRWDZBQOSA-N 1 3 320.481 2.122 20 30 DEEDHO N#Cc1ccc(CN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC001580066757 1067487782 /nfs/dbraw/zinc/48/77/82/1067487782.db2.gz SOFXIFMWIVNEGF-MOPGFXCFSA-N 1 3 311.429 2.291 20 30 DEEDHO C=CCN(C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001570710067 1068085265 /nfs/dbraw/zinc/08/52/65/1068085265.db2.gz ASXDWQVIIAAVQX-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN(C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001570710067 1068085277 /nfs/dbraw/zinc/08/52/77/1068085277.db2.gz ASXDWQVIIAAVQX-CVEARBPZSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)C(C)C)C[C@@]2(C)C1 ZINC001571068038 1068178963 /nfs/dbraw/zinc/17/89/63/1068178963.db2.gz DQYQSWQFBSNAJF-HDICACEKSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)C(C)C)C[C@@]2(C)C1 ZINC001571068038 1068178969 /nfs/dbraw/zinc/17/89/69/1068178969.db2.gz DQYQSWQFBSNAJF-HDICACEKSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001571197683 1068192211 /nfs/dbraw/zinc/19/22/11/1068192211.db2.gz IMPFVLSGETWRKB-SAABIXHNSA-N 1 3 315.461 2.422 20 30 DEEDHO C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCCN1CC ZINC001571373881 1068257864 /nfs/dbraw/zinc/25/78/64/1068257864.db2.gz QJUDRJZCKFLTOG-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[NH2+]Cc1ccc(CNC(=O)CN(C)C(C)C)c(F)c1 ZINC001571704358 1068491672 /nfs/dbraw/zinc/49/16/72/1068491672.db2.gz QTXLWOZZICYPMU-UHFFFAOYSA-N 1 3 321.440 2.448 20 30 DEEDHO C=CCCN1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001483668162 1078766828 /nfs/dbraw/zinc/76/68/28/1078766828.db2.gz SLJHRCIUVHORLC-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001267566752 1079001248 /nfs/dbraw/zinc/00/12/48/1079001248.db2.gz GNMZPYWLRILLAW-OAHLLOKOSA-N 1 3 304.438 2.055 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001267566752 1079001252 /nfs/dbraw/zinc/00/12/52/1079001252.db2.gz GNMZPYWLRILLAW-OAHLLOKOSA-N 1 3 304.438 2.055 20 30 DEEDHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](CCCC=C)CC1 ZINC001483989133 1079228324 /nfs/dbraw/zinc/22/83/24/1079228324.db2.gz YBBNAWUIPMTFFF-GOSISDBHSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001484124923 1079314100 /nfs/dbraw/zinc/31/41/00/1079314100.db2.gz KPBDKVHJSAIWSA-AEFFLSMTSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCN1CCC2(C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001565923177 1075206391 /nfs/dbraw/zinc/20/63/91/1075206391.db2.gz VXRCQWIUQRPWPD-KRWDZBQOSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001567163815 1075449342 /nfs/dbraw/zinc/44/93/42/1075449342.db2.gz HWXJKHKEPZKZEM-DLBZAZTESA-N 1 3 319.493 2.291 20 30 DEEDHO C=CC[NH2+]CC1(NC(=O)[C@H](C)N2CCCCCC2)CCCC1 ZINC001267844655 1079535593 /nfs/dbraw/zinc/53/55/93/1079535593.db2.gz UYRGUSPVVFKRLA-INIZCTEOSA-N 1 3 307.482 2.456 20 30 DEEDHO C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001267898947 1079585434 /nfs/dbraw/zinc/58/54/34/1079585434.db2.gz YEQQXQXYCFXUAF-MSOLQXFVSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001267939707 1079619608 /nfs/dbraw/zinc/61/96/08/1079619608.db2.gz SSVHCADLRCQVDQ-SFHVURJKSA-N 1 3 315.461 2.002 20 30 DEEDHO C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCCCN1C(C)C)C(C)C ZINC001268221493 1080205833 /nfs/dbraw/zinc/20/58/33/1080205833.db2.gz CTKZTKUSBANJCY-IAGOWNOFSA-N 1 3 307.482 2.003 20 30 DEEDHO C=C(C)C[NH2+]CC1(NC(=O)CN2CC[C@@H](C)C2)CCCCC1 ZINC001485455536 1080217075 /nfs/dbraw/zinc/21/70/75/1080217075.db2.gz NWGQXNHBMIISTI-MRXNPFEDSA-N 1 3 307.482 2.313 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCCC)C2)CC1 ZINC001268236690 1080219179 /nfs/dbraw/zinc/21/91/79/1080219179.db2.gz MWTNSAGQHDNLEM-SFHVURJKSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCCCC)C2)CC1 ZINC001268236690 1080219190 /nfs/dbraw/zinc/21/91/90/1080219190.db2.gz MWTNSAGQHDNLEM-SFHVURJKSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001661555421 1080493237 /nfs/dbraw/zinc/49/32/37/1080493237.db2.gz MGWZLSDDLLARGW-WBVHZDCISA-N 1 3 316.449 2.231 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001661555421 1080493243 /nfs/dbraw/zinc/49/32/43/1080493243.db2.gz MGWZLSDDLLARGW-WBVHZDCISA-N 1 3 316.449 2.231 20 30 DEEDHO C=CCC[NH+]1CCC(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001666387357 1081149470 /nfs/dbraw/zinc/14/94/70/1081149470.db2.gz WVCMPKLZWPDDDP-UHFFFAOYSA-N 1 3 304.438 2.055 20 30 DEEDHO C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001006446050 1081176527 /nfs/dbraw/zinc/17/65/27/1081176527.db2.gz SMWMAVDYXLNRHF-KRWDZBQOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001667278574 1081232661 /nfs/dbraw/zinc/23/26/61/1081232661.db2.gz AQICYEPHSCRWGH-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001668321108 1081341022 /nfs/dbraw/zinc/34/10/22/1081341022.db2.gz WRQUUJMURYLQHE-UONOGXRCSA-N 1 3 301.862 2.098 20 30 DEEDHO C#CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001482420767 1081809819 /nfs/dbraw/zinc/80/98/19/1081809819.db2.gz FNMGALHLEGYHOG-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CN1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001266252451 1081917540 /nfs/dbraw/zinc/91/75/40/1081917540.db2.gz ULKCQDFPENBVRR-QGZVFWFLSA-N 1 3 307.482 2.409 20 30 DEEDHO C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)Cc1c[nH]cn1 ZINC001271819960 1082163602 /nfs/dbraw/zinc/16/36/02/1082163602.db2.gz YABNETXTGXRAFR-UHFFFAOYSA-N 1 3 312.417 2.147 20 30 DEEDHO C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001266893562 1082436166 /nfs/dbraw/zinc/43/61/66/1082436166.db2.gz CMJAZVSCHWTKEQ-SJORKVTESA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001266893562 1082436171 /nfs/dbraw/zinc/43/61/71/1082436171.db2.gz CMJAZVSCHWTKEQ-SJORKVTESA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001277937457 1084387700 /nfs/dbraw/zinc/38/77/00/1084387700.db2.gz FCNCTDVRAJSVBM-RHSMWYFYSA-N 1 3 313.461 2.212 20 30 DEEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CC1(C)C ZINC001486246930 1085164050 /nfs/dbraw/zinc/16/40/50/1085164050.db2.gz VHLSUIQRPINGOG-HZPDHXFCSA-N 1 3 309.498 2.365 20 30 DEEDHO C=CCN(C)CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C(C)C ZINC001486376481 1085247940 /nfs/dbraw/zinc/24/79/40/1085247940.db2.gz FSMNFOFGJWVEBK-IRXDYDNUSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCN(C)CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C(C)C ZINC001486376481 1085247951 /nfs/dbraw/zinc/24/79/51/1085247951.db2.gz FSMNFOFGJWVEBK-IRXDYDNUSA-N 1 3 307.482 2.358 20 30 DEEDHO C#CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C(C)(C)C ZINC001486423325 1085296307 /nfs/dbraw/zinc/29/63/07/1085296307.db2.gz FZGHLQQHAOZRDS-DLBZAZTESA-N 1 3 321.509 2.251 20 30 DEEDHO C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961181311 1085626936 /nfs/dbraw/zinc/62/69/36/1085626936.db2.gz JDAPGCMIWHGABT-IRXDYDNUSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961181311 1085626941 /nfs/dbraw/zinc/62/69/41/1085626941.db2.gz JDAPGCMIWHGABT-IRXDYDNUSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315804 1086404936 /nfs/dbraw/zinc/40/49/36/1086404936.db2.gz YZGDYAKXSRPJNM-AEFFLSMTSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315804 1086404943 /nfs/dbraw/zinc/40/49/43/1086404943.db2.gz YZGDYAKXSRPJNM-AEFFLSMTSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C[C@@H]1CCC[N@@H+](C)C1 ZINC001273143222 1086664951 /nfs/dbraw/zinc/66/49/51/1086664951.db2.gz DEJXMMURIBEQHY-MJGOQNOKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C[C@@H]1CCC[N@H+](C)C1 ZINC001273143222 1086664955 /nfs/dbraw/zinc/66/49/55/1086664955.db2.gz DEJXMMURIBEQHY-MJGOQNOKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000957644853 1088493012 /nfs/dbraw/zinc/49/30/12/1088493012.db2.gz LCGJVIVGZYLLTE-UHFFFAOYSA-N 1 3 319.493 2.363 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]21 ZINC001084964763 1090550093 /nfs/dbraw/zinc/55/00/93/1090550093.db2.gz OYXQSGGZOLDTRQ-IKGGRYGDSA-N 1 3 307.482 2.072 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]21 ZINC001084964763 1090550099 /nfs/dbraw/zinc/55/00/99/1090550099.db2.gz OYXQSGGZOLDTRQ-IKGGRYGDSA-N 1 3 307.482 2.072 20 30 DEEDHO C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001489338074 1093025159 /nfs/dbraw/zinc/02/51/59/1093025159.db2.gz GXSSPXYHFOEJAB-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001489338074 1093025165 /nfs/dbraw/zinc/02/51/65/1093025165.db2.gz GXSSPXYHFOEJAB-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCCC)[C@@H]2C)CC1 ZINC001489312238 1093035509 /nfs/dbraw/zinc/03/55/09/1093035509.db2.gz WWBJBWKNESMFLI-AEFFLSMTSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCCC)[C@@H]2C)CC1 ZINC001489312238 1093035515 /nfs/dbraw/zinc/03/55/15/1093035515.db2.gz WWBJBWKNESMFLI-AEFFLSMTSA-N 1 3 319.493 2.101 20 30 DEEDHO C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](CC)N(C)C)CC1 ZINC001490598004 1093436810 /nfs/dbraw/zinc/43/68/10/1093436810.db2.gz DACMZELXZFPGRG-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CN(C)C(C)C)C2)CC1 ZINC001316668490 1140294811 /nfs/dbraw/zinc/29/48/11/1140294811.db2.gz IDXILUHHLKEJND-KRWDZBQOSA-N 1 3 319.493 2.053 20 30 DEEDHO CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001318838053 1140431596 /nfs/dbraw/zinc/43/15/96/1140431596.db2.gz SUFIZCGVYGMDDS-KRWDZBQOSA-N 1 3 321.509 2.206 20 30 DEEDHO C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](CC)N(C)C ZINC001323657943 1141874562 /nfs/dbraw/zinc/87/45/62/1141874562.db2.gz GTINRUOTTWHWCA-NPYXIHBLSA-N 1 3 307.482 2.404 20 30 DEEDHO C#CCN1CCC2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)CC1 ZINC001323832224 1141890920 /nfs/dbraw/zinc/89/09/20/1141890920.db2.gz LUZBSYYGMUEYNN-QGZVFWFLSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCN1CCC[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001278693560 1142840115 /nfs/dbraw/zinc/84/01/15/1142840115.db2.gz MXZBMUSGIOVFAW-GOSISDBHSA-N 1 3 307.482 2.267 20 30 DEEDHO C#CCCC1(CC[NH2+]C2CCC(N3CCOCC3)CC2)N=N1 ZINC001256688783 1143862575 /nfs/dbraw/zinc/86/25/75/1143862575.db2.gz KKEHMXGFLVTPHT-UHFFFAOYSA-N 1 3 304.438 2.185 20 30 DEEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001264373061 1144517944 /nfs/dbraw/zinc/51/79/44/1144517944.db2.gz QWOXHEZFEADPQK-IRXDYDNUSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001265390589 1144701707 /nfs/dbraw/zinc/70/17/07/1144701707.db2.gz ILHMMLDBECXJMN-IAGOWNOFSA-N 1 3 309.498 2.463 20 30 DEEDHO C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001265390589 1144701708 /nfs/dbraw/zinc/70/17/08/1144701708.db2.gz ILHMMLDBECXJMN-IAGOWNOFSA-N 1 3 309.498 2.463 20 30 DEEDHO CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001265696631 1144729837 /nfs/dbraw/zinc/72/98/37/1144729837.db2.gz JGDULFMPUSUUAJ-ROUUACIJSA-N 1 3 319.493 2.197 20 30 DEEDHO CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001265696631 1144729843 /nfs/dbraw/zinc/72/98/43/1144729843.db2.gz JGDULFMPUSUUAJ-ROUUACIJSA-N 1 3 319.493 2.197 20 30 DEEDHO C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001266067097 1144802284 /nfs/dbraw/zinc/80/22/84/1144802284.db2.gz IOZFQCLNDIAIJO-HZPDHXFCSA-N 1 3 307.482 2.005 20 30 DEEDHO CC#CCN1C[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001279624396 1144826312 /nfs/dbraw/zinc/82/63/12/1144826312.db2.gz JGBIXNBPJNEYSU-RCCFBDPRSA-N 1 3 319.493 2.053 20 30 DEEDHO CC#CC[N@@H+](CC)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001281834068 1144916149 /nfs/dbraw/zinc/91/61/49/1144916149.db2.gz UDISNCCBFZOHJH-UHFFFAOYSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[N@H+](CC)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001281834068 1144916150 /nfs/dbraw/zinc/91/61/50/1144916150.db2.gz UDISNCCBFZOHJH-UHFFFAOYSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CCN1CCCCC[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001282677790 1145122736 /nfs/dbraw/zinc/12/27/36/1145122736.db2.gz HOFWPDVZMDQGQP-KRWDZBQOSA-N 1 3 307.482 2.102 20 30 DEEDHO CC#CCN1CCCCC[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001282677790 1145122743 /nfs/dbraw/zinc/12/27/43/1145122743.db2.gz HOFWPDVZMDQGQP-KRWDZBQOSA-N 1 3 307.482 2.102 20 30 DEEDHO C=C(C)CC[N@@H+](C)CCNC(=O)c1cccc(CN(C)C)c1 ZINC001317472206 1147435369 /nfs/dbraw/zinc/43/53/69/1147435369.db2.gz XNCWGTQIUOFMJR-UHFFFAOYSA-N 1 3 303.450 2.376 20 30 DEEDHO C=C(C)CC[N@H+](C)CCNC(=O)c1cccc(CN(C)C)c1 ZINC001317472206 1147435384 /nfs/dbraw/zinc/43/53/84/1147435384.db2.gz XNCWGTQIUOFMJR-UHFFFAOYSA-N 1 3 303.450 2.376 20 30 DEEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001317173663 1147670667 /nfs/dbraw/zinc/67/06/67/1147670667.db2.gz PWGNMICSBSGMJY-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001317173663 1147670668 /nfs/dbraw/zinc/67/06/68/1147670668.db2.gz PWGNMICSBSGMJY-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001317788567 1147752267 /nfs/dbraw/zinc/75/22/67/1147752267.db2.gz JKCCWTRKQMRZAI-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001317788567 1147752268 /nfs/dbraw/zinc/75/22/68/1147752268.db2.gz JKCCWTRKQMRZAI-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001324655927 1147826538 /nfs/dbraw/zinc/82/65/38/1147826538.db2.gz JVZYJVBBJQVKNG-AEFFLSMTSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001324655927 1147826544 /nfs/dbraw/zinc/82/65/44/1147826544.db2.gz JVZYJVBBJQVKNG-AEFFLSMTSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC000073640454 354973185 /nfs/dbraw/zinc/97/31/85/354973185.db2.gz SAYZTJYOJMHGJS-QGZVFWFLSA-N 1 3 307.482 2.143 20 30 DEEDHO C=CCOc1ccc(CN[C@@H]2CC23CC[NH2+]CC3)cc1OC ZINC000666950807 540368989 /nfs/dbraw/zinc/36/89/89/540368989.db2.gz JHXUGAQSEAISIK-QGZVFWFLSA-N 1 3 302.418 2.492 20 30 DEEDHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442781604 238074897 /nfs/dbraw/zinc/07/48/97/238074897.db2.gz JKZXMJQGCAWHIW-IAGOWNOFSA-N 1 3 301.434 2.451 20 30 DEEDHO C=CC[C@@H](CO)[NH2+]Cc1ccccc1N1CCN(CCC)CC1 ZINC000680484248 542011987 /nfs/dbraw/zinc/01/19/87/542011987.db2.gz IBUIAHGMELAFJW-SFHVURJKSA-N 1 3 317.477 2.245 20 30 DEEDHO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(CC[NH+](C)C)CC1 ZINC000056523188 184015175 /nfs/dbraw/zinc/01/51/75/184015175.db2.gz VHCIEPGFOUVEFP-MRXNPFEDSA-N 1 3 309.498 2.463 20 30 DEEDHO CC[NH+]=C(NCc1ccc(C)nc1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000158495060 402306953 /nfs/dbraw/zinc/30/69/53/402306953.db2.gz XAAYOCYJVYHIGF-WMLDXEAASA-N 1 3 317.481 2.174 20 30 DEEDHO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000185896120 402386995 /nfs/dbraw/zinc/38/69/95/402386995.db2.gz NEIVTSZYCVXKRZ-MNEFBYGVSA-N 1 3 313.445 2.425 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)C(C)C ZINC000236683857 402373937 /nfs/dbraw/zinc/37/39/37/402373937.db2.gz HIMOSHODQBGTOE-DLBZAZTESA-N 1 3 319.493 2.191 20 30 DEEDHO [NH2+]=C(NCC1CCN(c2ccncc2)CC1)N1CCCCC1 ZINC000179737784 402599132 /nfs/dbraw/zinc/59/91/32/402599132.db2.gz LATHFOLGVGIKMD-UHFFFAOYSA-N 1 3 301.438 2.099 20 30 DEEDHO CC[NH+](CC)[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280500034 403006445 /nfs/dbraw/zinc/00/64/45/403006445.db2.gz WMEPAFVLRBDHGQ-MSOLQXFVSA-N 1 3 324.428 2.183 20 30 DEEDHO C[NH+](C)CCC1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000268693321 403106791 /nfs/dbraw/zinc/10/67/91/403106791.db2.gz PNXRYSQIJIDZTM-SFHVURJKSA-N 1 3 301.434 2.255 20 30 DEEDHO C=CCN1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000361768008 403853729 /nfs/dbraw/zinc/85/37/29/403853729.db2.gz YEQKLRWTRKHEKQ-DOTOQJQBSA-N 1 3 322.497 2.151 20 30 DEEDHO C=CCN1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000361768008 403853732 /nfs/dbraw/zinc/85/37/32/403853732.db2.gz YEQKLRWTRKHEKQ-DOTOQJQBSA-N 1 3 322.497 2.151 20 30 DEEDHO C=CCC[C@H](O)CN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348332451 404060472 /nfs/dbraw/zinc/06/04/72/404060472.db2.gz UTTQMZAMWUOWMD-QRVBRYPASA-N 1 3 300.446 2.377 20 30 DEEDHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000290973628 404367922 /nfs/dbraw/zinc/36/79/22/404367922.db2.gz UGULULZOJKOIIC-RHSMWYFYSA-N 1 3 312.417 2.085 20 30 DEEDHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000290973628 404367928 /nfs/dbraw/zinc/36/79/28/404367928.db2.gz UGULULZOJKOIIC-RHSMWYFYSA-N 1 3 312.417 2.085 20 30 DEEDHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424154381 405023807 /nfs/dbraw/zinc/02/38/07/405023807.db2.gz LSFWELCAKWTGPE-HOCLYGCPSA-N 1 3 316.449 2.253 20 30 DEEDHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H](N)CCCC#N)c1 ZINC000424157165 405025627 /nfs/dbraw/zinc/02/56/27/405025627.db2.gz PKXCWAZFXHGCLT-QGZVFWFLSA-N 1 3 316.449 2.164 20 30 DEEDHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H](N)CCCC#N)c1 ZINC000424157165 405025630 /nfs/dbraw/zinc/02/56/30/405025630.db2.gz PKXCWAZFXHGCLT-QGZVFWFLSA-N 1 3 316.449 2.164 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415980561 404993243 /nfs/dbraw/zinc/99/32/43/404993243.db2.gz SRHMSVDVJXSMQE-UHFFFAOYSA-N 1 3 302.422 2.307 20 30 DEEDHO C=CCN1CCC(NC(=O)NCC[N@H+]2CCCC(C)(C)C2)CC1 ZINC000445096796 405344958 /nfs/dbraw/zinc/34/49/58/405344958.db2.gz WJTXQMXXJYFZBD-UHFFFAOYSA-N 1 3 322.497 2.058 20 30 DEEDHO C=CCN1CCC(NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000445096796 405344959 /nfs/dbraw/zinc/34/49/59/405344959.db2.gz WJTXQMXXJYFZBD-UHFFFAOYSA-N 1 3 322.497 2.058 20 30 DEEDHO C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCN1 ZINC000423367103 405779840 /nfs/dbraw/zinc/77/98/40/405779840.db2.gz CXQWLDDJYHVGPU-HNAYVOBHSA-N 1 3 312.461 2.253 20 30 DEEDHO CC#CC[C@H](CO)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000641767588 406887707 /nfs/dbraw/zinc/88/77/07/406887707.db2.gz MBKMQJFYPDXASD-QXAKKESOSA-N 1 3 300.446 2.403 20 30 DEEDHO CC#CC[C@H](CO)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000641767588 406887709 /nfs/dbraw/zinc/88/77/09/406887709.db2.gz MBKMQJFYPDXASD-QXAKKESOSA-N 1 3 300.446 2.403 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1[NH2+]CCC1(C)C)C(C)C ZINC000662681615 425712647 /nfs/dbraw/zinc/71/26/47/425712647.db2.gz KEZXHABDHQPMPH-JKSUJKDBSA-N 1 3 307.482 2.189 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1cccnc1)C(C)C ZINC000267595750 279329876 /nfs/dbraw/zinc/32/98/76/279329876.db2.gz VZEDGSNCWQRILI-IRXDYDNUSA-N 1 3 317.481 2.210 20 30 DEEDHO C=CC[NH2+][C@H](CCN(C)C(=O)CN1CCC(C)CC1)C(C)C ZINC001329761360 1148989308 /nfs/dbraw/zinc/98/93/08/1148989308.db2.gz LIFFSHRZXZTNHD-QGZVFWFLSA-N 1 3 309.498 2.367 20 30 DEEDHO C=C(Cl)CN[C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001400861731 1161836636 /nfs/dbraw/zinc/83/66/36/1161836636.db2.gz XEWJYVSWXGBTDU-LSDHHAIUSA-N 1 3 315.889 2.486 20 30 DEEDHO C=C(Cl)CN[C@@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001400861731 1161836639 /nfs/dbraw/zinc/83/66/39/1161836639.db2.gz XEWJYVSWXGBTDU-LSDHHAIUSA-N 1 3 315.889 2.486 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001330295496 1149088281 /nfs/dbraw/zinc/08/82/81/1149088281.db2.gz FZWONIMTXIYQBL-OSYLJGHBSA-N 1 3 319.493 2.121 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001330295496 1149088289 /nfs/dbraw/zinc/08/82/89/1149088289.db2.gz FZWONIMTXIYQBL-OSYLJGHBSA-N 1 3 319.493 2.121 20 30 DEEDHO C[NH+]=C(NCC(C)(C)N1CCC[C@H](C)C1)N(C)C[C@@H]1CCOC1 ZINC000261730935 526349237 /nfs/dbraw/zinc/34/92/37/526349237.db2.gz YEGYFSDMIFAECC-HOTGVXAUSA-N 1 3 324.513 2.041 20 30 DEEDHO C[NH+]=C(NCc1scnc1C)N1CC[C@H](N2CCCCC2)C1 ZINC000262423339 526393628 /nfs/dbraw/zinc/39/36/28/526393628.db2.gz BTXSKHFBTHBEQT-AWEZNQCLSA-N 1 3 321.494 2.087 20 30 DEEDHO CC(C)CCNC(=[NH2+])NCc1cccc(OCCN(C)C)c1 ZINC000104163108 527721892 /nfs/dbraw/zinc/72/18/92/527721892.db2.gz UZTRGITYAWTISI-UHFFFAOYSA-N 1 3 306.454 2.077 20 30 DEEDHO CCOCc1ccccc1CNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000264073628 529063738 /nfs/dbraw/zinc/06/37/38/529063738.db2.gz DXSMYRWUBZIVHY-KRWDZBQOSA-N 1 3 318.465 2.112 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC(C)C)cc1 ZINC000264084330 529074655 /nfs/dbraw/zinc/07/46/55/529074655.db2.gz JETITODGKCHTQX-MRXNPFEDSA-N 1 3 318.465 2.362 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc2cccnc21 ZINC000264077913 529100516 /nfs/dbraw/zinc/10/05/16/529100516.db2.gz GGUNNFLJBULYHU-INIZCTEOSA-N 1 3 311.433 2.123 20 30 DEEDHO CCO[C@@H](CNC(=[NH2+])NC[C@H]1CCCN1CC)c1ccccc1 ZINC000194581305 529112706 /nfs/dbraw/zinc/11/27/06/529112706.db2.gz AEJNCCZMWSKMGO-SJORKVTESA-N 1 3 318.465 2.153 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]21 ZINC001026385492 625393537 /nfs/dbraw/zinc/39/35/37/625393537.db2.gz CAIHVLUFDBKVQH-OKZBNKHCSA-N 1 3 319.493 2.121 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000970785859 623681020 /nfs/dbraw/zinc/68/10/20/623681020.db2.gz JAUCWGHXLKCDPK-QGZVFWFLSA-N 1 3 301.434 2.128 20 30 DEEDHO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1occc1CN(C)C ZINC001024623721 625940532 /nfs/dbraw/zinc/94/05/32/625940532.db2.gz HDMUUWYURWCCNR-HNNXBMFYSA-N 1 3 305.422 2.112 20 30 DEEDHO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1occc1CN(C)C ZINC001024623721 625940537 /nfs/dbraw/zinc/94/05/37/625940537.db2.gz HDMUUWYURWCCNR-HNNXBMFYSA-N 1 3 305.422 2.112 20 30 DEEDHO CC#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000998013179 634111694 /nfs/dbraw/zinc/11/16/94/634111694.db2.gz PTXRAQDSMTYPMH-KZNAEPCWSA-N 1 3 319.493 2.053 20 30 DEEDHO CC#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000998013179 634111697 /nfs/dbraw/zinc/11/16/97/634111697.db2.gz PTXRAQDSMTYPMH-KZNAEPCWSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CCN1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001001228867 635431343 /nfs/dbraw/zinc/43/13/43/635431343.db2.gz FPYVMIHRWYSJIL-KRWDZBQOSA-N 1 3 305.466 2.184 20 30 DEEDHO C=CCN1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001001228867 635431346 /nfs/dbraw/zinc/43/13/46/635431346.db2.gz FPYVMIHRWYSJIL-KRWDZBQOSA-N 1 3 305.466 2.184 20 30 DEEDHO C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CCCN2CCC)CC1 ZINC001001466432 635502391 /nfs/dbraw/zinc/50/23/91/635502391.db2.gz HKIKJSOOKOLTKK-QGZVFWFLSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC000981958523 635765114 /nfs/dbraw/zinc/76/51/14/635765114.db2.gz MFLHVIYLQNVWCK-QGZVFWFLSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC000981958523 635765118 /nfs/dbraw/zinc/76/51/18/635765118.db2.gz MFLHVIYLQNVWCK-QGZVFWFLSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC000982063441 635851161 /nfs/dbraw/zinc/85/11/61/635851161.db2.gz PVTULASCBLCLLF-IRXDYDNUSA-N 1 3 317.477 2.114 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC000982063441 635851165 /nfs/dbraw/zinc/85/11/65/635851165.db2.gz PVTULASCBLCLLF-IRXDYDNUSA-N 1 3 317.477 2.114 20 30 DEEDHO C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC000982163489 635890607 /nfs/dbraw/zinc/89/06/07/635890607.db2.gz CJKWYFLNXFZKAI-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC000982163489 635890610 /nfs/dbraw/zinc/89/06/10/635890610.db2.gz CJKWYFLNXFZKAI-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCc2ccccc21 ZINC000178574496 635940838 /nfs/dbraw/zinc/94/08/38/635940838.db2.gz FQXSVJMCSVTBGB-HOTGVXAUSA-N 1 3 300.450 2.105 20 30 DEEDHO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000989825580 641248604 /nfs/dbraw/zinc/24/86/04/641248604.db2.gz HRXBSGFHDXJMAX-WMLDXEAASA-N 1 3 301.434 2.127 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000900354682 642337247 /nfs/dbraw/zinc/33/72/47/642337247.db2.gz KHFXOSJEPUTNIC-UHFFFAOYSA-N 1 3 321.440 2.224 20 30 DEEDHO CC[C@H](NCCC[NH+]1CCC(O)CC1)c1cccc(C#N)c1 ZINC000902762728 643128215 /nfs/dbraw/zinc/12/82/15/643128215.db2.gz PKWINAWVBPFKQK-SFHVURJKSA-N 1 3 301.434 2.446 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000908230551 644788697 /nfs/dbraw/zinc/78/86/97/644788697.db2.gz PCCKNMIOFWIHMD-SJLPKXTDSA-N 1 3 315.461 2.274 20 30 DEEDHO C=CCN1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+](CCC)C3)CCC[C@H]12 ZINC000992149868 646874304 /nfs/dbraw/zinc/87/43/04/646874304.db2.gz OEIDLEFWLWIASP-ZIFCJYIRSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCN1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+](CCC)C3)CCC[C@H]12 ZINC000992149868 646874310 /nfs/dbraw/zinc/87/43/10/646874310.db2.gz OEIDLEFWLWIASP-ZIFCJYIRSA-N 1 3 319.493 2.408 20 30 DEEDHO CC#CCN1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940736140 648934772 /nfs/dbraw/zinc/93/47/72/648934772.db2.gz AGUHQUWOGXOREE-IAGOWNOFSA-N 1 3 319.493 2.099 20 30 DEEDHO CC#CCN1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940736140 648934776 /nfs/dbraw/zinc/93/47/76/648934776.db2.gz AGUHQUWOGXOREE-IAGOWNOFSA-N 1 3 319.493 2.099 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940837427 648954006 /nfs/dbraw/zinc/95/40/06/648954006.db2.gz UEVKHFOLAJNANL-INIZCTEOSA-N 1 3 319.493 2.265 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)[C@@H](C)C1 ZINC000944446755 649527217 /nfs/dbraw/zinc/52/72/17/649527217.db2.gz VBYIUVUHWOARID-ZFWWWQNUSA-N 1 3 304.438 2.053 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)[C@@H](C)C1 ZINC000944446755 649527221 /nfs/dbraw/zinc/52/72/21/649527221.db2.gz VBYIUVUHWOARID-ZFWWWQNUSA-N 1 3 304.438 2.053 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205447 693882541 /nfs/dbraw/zinc/88/25/41/693882541.db2.gz RPXZMAGDDPPRNI-GOSISDBHSA-N 1 3 316.449 2.233 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205447 693882543 /nfs/dbraw/zinc/88/25/43/693882543.db2.gz RPXZMAGDDPPRNI-GOSISDBHSA-N 1 3 316.449 2.233 20 30 DEEDHO CCN(CC)[C@@H](CNC(=[NH2+])N1CCSCC1)CC(C)C ZINC000303769782 685233056 /nfs/dbraw/zinc/23/30/56/685233056.db2.gz BDIJEEPIWYDGGO-CQSZACIVSA-N 1 3 300.516 2.106 20 30 DEEDHO C[C@H]1CCCN(CC[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000303868917 685236858 /nfs/dbraw/zinc/23/68/58/685236858.db2.gz APZCWWOTNJAEEP-INIZCTEOSA-N 1 3 302.466 2.426 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001016619873 687666801 /nfs/dbraw/zinc/66/68/01/687666801.db2.gz DOFABUDESJTXBW-INIZCTEOSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)CN1CC[C@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033571226 689547330 /nfs/dbraw/zinc/54/73/30/689547330.db2.gz MOXFTSYIWHBAEQ-SFHVURJKSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033835111 689631048 /nfs/dbraw/zinc/63/10/48/689631048.db2.gz MWMLSWYWLDJULF-IXDOHACOSA-N 1 3 307.482 2.216 20 30 DEEDHO C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033835111 689631052 /nfs/dbraw/zinc/63/10/52/689631052.db2.gz MWMLSWYWLDJULF-IXDOHACOSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001034204706 689761873 /nfs/dbraw/zinc/76/18/73/689761873.db2.gz PGFAGKGBDDVCGF-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001034204706 689761875 /nfs/dbraw/zinc/76/18/75/689761875.db2.gz PGFAGKGBDDVCGF-SJORKVTESA-N 1 3 307.482 2.406 20 30 DEEDHO 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DEEDHO C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001447550046 1184808009 /nfs/dbraw/zinc/80/80/09/1184808009.db2.gz NRBJSONMLJQUND-CQSZACIVSA-N 1 3 315.889 2.296 20 30 DEEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001331926959 1149778230 /nfs/dbraw/zinc/77/82/30/1149778230.db2.gz RBNYKFILPZRDSK-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001333398524 1150044860 /nfs/dbraw/zinc/04/48/60/1150044860.db2.gz AHJQIHNFERVFHO-IRXDYDNUSA-N 1 3 319.493 2.431 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001333398524 1150044867 /nfs/dbraw/zinc/04/48/67/1150044867.db2.gz AHJQIHNFERVFHO-IRXDYDNUSA-N 1 3 319.493 2.431 20 30 DEEDHO C=CCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001104676377 778016050 /nfs/dbraw/zinc/01/60/50/778016050.db2.gz HHQCWYOJDCWZGO-IXDOHACOSA-N 1 3 307.482 2.121 20 30 DEEDHO CC#CC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001104684127 778021205 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321.509 2.062 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC)CC1 ZINC001146608684 791322537 /nfs/dbraw/zinc/32/25/37/791322537.db2.gz AQAHAFIBFQHBAM-CVEARBPZSA-N 1 3 307.482 2.005 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC)CC1 ZINC001146608687 791322930 /nfs/dbraw/zinc/32/29/30/791322930.db2.gz AQAHAFIBFQHBAM-HOTGVXAUSA-N 1 3 307.482 2.005 20 30 DEEDHO C#CCC[N@H+]1CCC2(CN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001148458098 791750436 /nfs/dbraw/zinc/75/04/36/791750436.db2.gz INKFNFDMGXARHY-UHFFFAOYSA-N 1 3 319.493 2.056 20 30 DEEDHO C#CCC[N@@H+]1CCC2(CN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001148458098 791750438 /nfs/dbraw/zinc/75/04/38/791750438.db2.gz INKFNFDMGXARHY-UHFFFAOYSA-N 1 3 319.493 2.056 20 30 DEEDHO C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001148840014 791809191 /nfs/dbraw/zinc/80/91/91/791809191.db2.gz XZMCKHPFEZUEPR-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001148840014 791809195 /nfs/dbraw/zinc/80/91/95/791809195.db2.gz XZMCKHPFEZUEPR-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[NH2+]C1CC(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001100333603 792595641 /nfs/dbraw/zinc/59/56/41/792595641.db2.gz FTKXIKAKNQYWBE-UHFFFAOYSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101400160 793144494 /nfs/dbraw/zinc/14/44/94/793144494.db2.gz JEKIEJDQJJLCJX-SCTDSRPQSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101400160 793144497 /nfs/dbraw/zinc/14/44/97/793144497.db2.gz JEKIEJDQJJLCJX-SCTDSRPQSA-N 1 3 321.509 2.463 20 30 DEEDHO COCCC[NH+]1CCC(NCCOc2ccccc2C#N)CC1 ZINC001172247092 793386731 /nfs/dbraw/zinc/38/67/31/793386731.db2.gz DEKUTDGWEKZDRQ-UHFFFAOYSA-N 1 3 317.433 2.028 20 30 DEEDHO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C(C)(C)C(C)(C)N)C[C@H]1C#N ZINC001172973078 793547281 /nfs/dbraw/zinc/54/72/81/793547281.db2.gz ABLIDYLAQXDGIX-STQMWFEESA-N 1 3 324.469 2.384 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001102376979 793595630 /nfs/dbraw/zinc/59/56/30/793595630.db2.gz HPQOQDPRKNAMDZ-HZPDHXFCSA-N 1 3 309.498 2.225 20 30 DEEDHO C=CCC[N@H+]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001102376979 793595635 /nfs/dbraw/zinc/59/56/35/793595635.db2.gz HPQOQDPRKNAMDZ-HZPDHXFCSA-N 1 3 309.498 2.225 20 30 DEEDHO CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001103439473 794094756 /nfs/dbraw/zinc/09/47/56/794094756.db2.gz CHSRAVQWQWKMGV-IAGOWNOFSA-N 1 3 321.509 2.062 20 30 DEEDHO CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001103439473 794094765 /nfs/dbraw/zinc/09/47/65/794094765.db2.gz CHSRAVQWQWKMGV-IAGOWNOFSA-N 1 3 321.509 2.062 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+]C(C)C)CC1 ZINC001176737966 794483894 /nfs/dbraw/zinc/48/38/94/794483894.db2.gz ODWJNYQRDSVBLJ-INIZCTEOSA-N 1 3 307.482 2.005 20 30 DEEDHO CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001111869738 794506917 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DEEDHO C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203028635 796515000 /nfs/dbraw/zinc/51/50/00/796515000.db2.gz OKNRGQRTYMZOST-HZPDHXFCSA-N 1 3 319.493 2.454 20 30 DEEDHO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675775 797055476 /nfs/dbraw/zinc/05/54/76/797055476.db2.gz WSPWGVCUEJVNEF-DOTOQJQBSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675775 797055487 /nfs/dbraw/zinc/05/54/87/797055487.db2.gz WSPWGVCUEJVNEF-DOTOQJQBSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001192671000 797429099 /nfs/dbraw/zinc/42/90/99/797429099.db2.gz DKKGWACKFKGWBQ-IAGOWNOFSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001192671000 797429103 /nfs/dbraw/zinc/42/91/03/797429103.db2.gz DKKGWACKFKGWBQ-IAGOWNOFSA-N 1 3 307.482 2.358 20 30 DEEDHO C#CCN(CC)[C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001154464517 797539906 /nfs/dbraw/zinc/53/99/06/797539906.db2.gz NWNMYHRBTLPVQV-MRXNPFEDSA-N 1 3 307.482 2.101 20 30 DEEDHO C#CCN(CC)[C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001154464517 797539909 /nfs/dbraw/zinc/53/99/09/797539909.db2.gz NWNMYHRBTLPVQV-MRXNPFEDSA-N 1 3 307.482 2.101 20 30 DEEDHO CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001155839198 797861567 /nfs/dbraw/zinc/86/15/67/797861567.db2.gz RCFWWTYMBHUGSE-MRXNPFEDSA-N 1 3 315.461 2.212 20 30 DEEDHO CC#CCN1CC=C(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001160399566 798683252 /nfs/dbraw/zinc/68/32/52/798683252.db2.gz AHEJUDJISMKOQM-GOSISDBHSA-N 1 3 317.477 2.023 20 30 DEEDHO CC#CCN1CC=C(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001160399566 798683254 /nfs/dbraw/zinc/68/32/54/798683254.db2.gz AHEJUDJISMKOQM-GOSISDBHSA-N 1 3 317.477 2.023 20 30 DEEDHO C=CCCC[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001205457599 800359323 /nfs/dbraw/zinc/35/93/23/800359323.db2.gz GTRHBODAMRFPEP-UHFFFAOYSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208340993 800960139 /nfs/dbraw/zinc/96/01/39/800960139.db2.gz SPPJILYYDHGLJY-HZPDHXFCSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCCCCN1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001209423505 801190210 /nfs/dbraw/zinc/19/02/10/801190210.db2.gz VWTXZHPJXHPQST-UHFFFAOYSA-N 1 3 307.482 2.409 20 30 DEEDHO C=CCCCCCN1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001209423505 801190211 /nfs/dbraw/zinc/19/02/11/801190211.db2.gz VWTXZHPJXHPQST-UHFFFAOYSA-N 1 3 307.482 2.409 20 30 DEEDHO COc1c[nH+]ccc1Nc1sc2c(c1C#N)CCN(C)C2 ZINC001211258147 801537326 /nfs/dbraw/zinc/53/73/26/801537326.db2.gz XRQUGROAWSPUDS-UHFFFAOYSA-N 1 3 300.387 2.177 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001215551728 801876011 /nfs/dbraw/zinc/87/60/11/801876011.db2.gz XUBBZXOBTZWLPK-HZPDHXFCSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001234402270 802368582 /nfs/dbraw/zinc/36/85/82/802368582.db2.gz 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ZINC001228114091 803320648 /nfs/dbraw/zinc/32/06/48/803320648.db2.gz PRWMUGKDRLHSJC-UHFFFAOYSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228254736 803335543 /nfs/dbraw/zinc/33/55/43/803335543.db2.gz GOCGIGKRWGCIBJ-ZIAGYGMSSA-N 1 3 301.862 2.098 20 30 DEEDHO C=C(Cl)CNCCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001330931773 1149337958 /nfs/dbraw/zinc/33/79/58/1149337958.db2.gz IUDGNKOPVPGUKO-AWEZNQCLSA-N 1 3 315.889 2.345 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001480361260 1062710671 /nfs/dbraw/zinc/71/06/71/1062710671.db2.gz JWPGDFBUKOSCGV-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001480381525 1062760185 /nfs/dbraw/zinc/76/01/85/1062760185.db2.gz CTPPQZKNBMKCAO-IRXDYDNUSA-N 1 3 321.509 2.204 20 30 DEEDHO C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001480381525 1062760207 /nfs/dbraw/zinc/76/02/07/1062760207.db2.gz CTPPQZKNBMKCAO-IRXDYDNUSA-N 1 3 321.509 2.204 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001480669817 1063165187 /nfs/dbraw/zinc/16/51/87/1063165187.db2.gz VYYOWCMPGHFUGE-KRWDZBQOSA-N 1 3 307.482 2.123 20 30 DEEDHO C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001480728815 1063256940 /nfs/dbraw/zinc/25/69/40/1063256940.db2.gz ANMCCTSSAKVOLS-KRWDZBQOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001480728815 1063256958 /nfs/dbraw/zinc/25/69/58/1063256958.db2.gz ANMCCTSSAKVOLS-KRWDZBQOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CC[NH2+]CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001493695010 1063921229 /nfs/dbraw/zinc/92/12/29/1063921229.db2.gz CETYBUYNVKOLGL-QGZVFWFLSA-N 1 3 313.461 2.213 20 30 DEEDHO C=CCN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccccc1 ZINC001567660100 1064324718 /nfs/dbraw/zinc/32/47/18/1064324718.db2.gz SWLXPWVGIDRCED-OKZBNKHCSA-N 1 3 315.461 2.350 20 30 DEEDHO C=CCN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1 ZINC001567660100 1064324721 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DEEDHO C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001569864894 1065776123 /nfs/dbraw/zinc/77/61/23/1065776123.db2.gz MHEBPYMSSRTIMO-ULQDDVLXSA-N 1 3 309.498 2.415 20 30 DEEDHO C#CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001570505266 1066099580 /nfs/dbraw/zinc/09/95/80/1066099580.db2.gz UFCRRNQXZJVWBN-GOSISDBHSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001570505266 1066099592 /nfs/dbraw/zinc/09/95/92/1066099592.db2.gz UFCRRNQXZJVWBN-GOSISDBHSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001570544291 1067996552 /nfs/dbraw/zinc/99/65/52/1067996552.db2.gz UFGNYADXIFYEMP-KRWDZBQOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001570544291 1067996558 /nfs/dbraw/zinc/99/65/58/1067996558.db2.gz UFGNYADXIFYEMP-KRWDZBQOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CN(CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1CC1 ZINC001481174571 1079292521 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C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001484772234 1079787399 /nfs/dbraw/zinc/78/73/99/1079787399.db2.gz ORIKTOSKFUTHHR-ROUUACIJSA-N 1 3 319.493 2.055 20 30 DEEDHO C=C(C)CN1CC[C@H](N(CCC)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001481409834 1079798488 /nfs/dbraw/zinc/79/84/88/1079798488.db2.gz ULFDLQHBIHWGEM-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CN1CC[C@H](N(CCC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001481409834 1079798498 /nfs/dbraw/zinc/79/84/98/1079798498.db2.gz ULFDLQHBIHWGEM-SJORKVTESA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCN1CC2(C1)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2 ZINC001268046064 1079937822 /nfs/dbraw/zinc/93/78/22/1079937822.db2.gz RRZITVSTZVFFQW-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001485068664 1079946432 /nfs/dbraw/zinc/94/64/32/1079946432.db2.gz GKHPDBBASORVRJ-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001485068664 1079946433 /nfs/dbraw/zinc/94/64/33/1079946433.db2.gz GKHPDBBASORVRJ-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001656200696 1080063312 /nfs/dbraw/zinc/06/33/12/1080063312.db2.gz HNRJXIDYMLGOAB-ULQDDVLXSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001268163308 1080140403 /nfs/dbraw/zinc/14/04/03/1080140403.db2.gz UTCKVQYDRHMILK-OAHLLOKOSA-N 1 3 315.889 2.442 20 30 DEEDHO C#CC[C@H](CCOC)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001658656987 1080215744 /nfs/dbraw/zinc/21/57/44/1080215744.db2.gz UPTCRSWURMYCAB-WWDZGPRUSA-N 1 3 308.466 2.038 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001485706478 1080373064 /nfs/dbraw/zinc/37/30/64/1080373064.db2.gz HMHWHCMEPPNFGL-ULQDDVLXSA-N 1 3 307.482 2.311 20 30 DEEDHO CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001485740142 1080401175 /nfs/dbraw/zinc/40/11/75/1080401175.db2.gz HYQVTDYIMRZOLD-IRXDYDNUSA-N 1 3 307.482 2.147 20 30 DEEDHO C#CCN1CCC(C(=O)NCC[C@@H]([NH2+]CC(=C)C)C(C)C)CC1 ZINC001485793074 1080437081 /nfs/dbraw/zinc/43/70/81/1080437081.db2.gz KKKYVKCVTGVORD-GOSISDBHSA-N 1 3 319.493 2.028 20 30 DEEDHO C=CCN1CC[C@@H](N(CC)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001481783668 1080502819 /nfs/dbraw/zinc/50/28/19/1080502819.db2.gz YFHVNNZDOQAPRC-QGZVFWFLSA-N 1 3 307.482 2.361 20 30 DEEDHO C=CCN1CCCC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001661896412 1080542111 /nfs/dbraw/zinc/54/21/11/1080542111.db2.gz OKMCDHVIZBTGSG-KRWDZBQOSA-N 1 3 307.482 2.409 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001107036655 1080551324 /nfs/dbraw/zinc/55/13/24/1080551324.db2.gz OMTHKLCVRORWSR-ZACQAIPSSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(Cl)CNCC1(NC(=O)CC[N@@H+](C)CC)CCCC1 ZINC001481908522 1080597485 /nfs/dbraw/zinc/59/74/85/1080597485.db2.gz JMHMISKHKFJKPV-UHFFFAOYSA-N 1 3 301.862 2.099 20 30 DEEDHO C=C(Cl)CNCC1(NC(=O)CC[N@H+](C)CC)CCCC1 ZINC001481908522 1080597493 /nfs/dbraw/zinc/59/74/93/1080597493.db2.gz JMHMISKHKFJKPV-UHFFFAOYSA-N 1 3 301.862 2.099 20 30 DEEDHO C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCCN1CC ZINC001663124211 1080706517 /nfs/dbraw/zinc/70/65/17/1080706517.db2.gz UDVUMZBRVZDSGZ-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCCN1CC ZINC001663124211 1080706521 /nfs/dbraw/zinc/70/65/21/1080706521.db2.gz UDVUMZBRVZDSGZ-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001482060692 1080764998 /nfs/dbraw/zinc/76/49/98/1080764998.db2.gz NFDLXMIDGKNLDR-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CC[NH2+]Cc1ccc(CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001666347594 1081146655 /nfs/dbraw/zinc/14/66/55/1081146655.db2.gz PCJWMYVFLLATBN-KRWDZBQOSA-N 1 3 303.450 2.165 20 30 DEEDHO C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCCN2CC)CC1 ZINC001006446051 1081176815 /nfs/dbraw/zinc/17/68/15/1081176815.db2.gz SMWMAVDYXLNRHF-QGZVFWFLSA-N 1 3 307.482 2.360 20 30 DEEDHO C#CCCN(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001667566701 1081264788 /nfs/dbraw/zinc/26/47/88/1081264788.db2.gz TVZVWAJDZSPMSE-QGZVFWFLSA-N 1 3 319.493 2.055 20 30 DEEDHO C#CCCN(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001667566701 1081264792 /nfs/dbraw/zinc/26/47/92/1081264792.db2.gz TVZVWAJDZSPMSE-QGZVFWFLSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCCC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CCC1 ZINC001673238642 1081749125 /nfs/dbraw/zinc/74/91/25/1081749125.db2.gz WXMRPRCJCSNELJ-IYBDPMFKSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001674135830 1081844235 /nfs/dbraw/zinc/84/42/35/1081844235.db2.gz SFCKTTNPCRIZSA-HOTGVXAUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001674135830 1081844247 /nfs/dbraw/zinc/84/42/47/1081844247.db2.gz SFCKTTNPCRIZSA-HOTGVXAUSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107444455 1083400054 /nfs/dbraw/zinc/40/00/54/1083400054.db2.gz JCBDCCBOCGMROI-SOLBZPMBSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107444455 1083400057 /nfs/dbraw/zinc/40/00/57/1083400057.db2.gz JCBDCCBOCGMROI-SOLBZPMBSA-N 1 3 307.482 2.119 20 30 DEEDHO CC#CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CCCCC1 ZINC001115715740 1083925000 /nfs/dbraw/zinc/92/50/00/1083925000.db2.gz UNXFNDZUJHTBFD-MRXNPFEDSA-N 1 3 307.482 2.005 20 30 DEEDHO C=CCCC[NH2+]C[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001491173804 1084129380 /nfs/dbraw/zinc/12/93/80/1084129380.db2.gz UJMZHRUHNVDCPP-IAGOWNOFSA-N 1 3 307.482 2.123 20 30 DEEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961350497 1085700221 /nfs/dbraw/zinc/70/02/21/1085700221.db2.gz XJNAFPAPLVDGFV-ROUUACIJSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961350497 1085700230 /nfs/dbraw/zinc/70/02/30/1085700230.db2.gz XJNAFPAPLVDGFV-ROUUACIJSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[NH2+]C1(CNC(=O)C(C)(C)N2CCCCC2)CCC1 ZINC001273084289 1086160760 /nfs/dbraw/zinc/16/07/60/1086160760.db2.gz IZKGBHBMQAZHGV-UHFFFAOYSA-N 1 3 307.482 2.456 20 30 DEEDHO C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCN3C(C)C)C2)C1 ZINC000963787149 1086558652 /nfs/dbraw/zinc/55/86/52/1086558652.db2.gz GVFUVJWWJBAFGF-HVEGKCCWSA-N 1 3 305.466 2.062 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001114662506 1087833305 /nfs/dbraw/zinc/83/33/05/1087833305.db2.gz LHSIQWXVDGGGDH-NCOADZHNSA-N 1 3 319.493 2.262 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001114662506 1087833326 /nfs/dbraw/zinc/83/33/26/1087833326.db2.gz LHSIQWXVDGGGDH-NCOADZHNSA-N 1 3 319.493 2.262 20 30 DEEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001275189879 1091608759 /nfs/dbraw/zinc/60/87/59/1091608759.db2.gz BRDQCODAHAJSFV-GOSISDBHSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001275189879 1091608766 /nfs/dbraw/zinc/60/87/66/1091608766.db2.gz BRDQCODAHAJSFV-GOSISDBHSA-N 1 3 321.509 2.465 20 30 DEEDHO C=CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001488996047 1092874754 /nfs/dbraw/zinc/87/47/54/1092874754.db2.gz DHWXTQAHJRHGJI-GOEBONIOSA-N 1 3 304.438 2.135 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001489200851 1092971500 /nfs/dbraw/zinc/97/15/00/1092971500.db2.gz NWHIARXCANVBBC-XHSDSOJGSA-N 1 3 316.449 2.087 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001489200851 1092971511 /nfs/dbraw/zinc/97/15/11/1092971511.db2.gz NWHIARXCANVBBC-XHSDSOJGSA-N 1 3 316.449 2.087 20 30 DEEDHO C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](CC)N(C)C)CC1 ZINC001490598005 1093436754 /nfs/dbraw/zinc/43/67/54/1093436754.db2.gz DACMZELXZFPGRG-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO CC#CC[NH2+]C[C@H](NC(=O)CN(C)CC(C)(C)C)C1CCCC1 ZINC001324498802 1142089144 /nfs/dbraw/zinc/08/91/44/1142089144.db2.gz XKVKGPJJUKBVMF-KRWDZBQOSA-N 1 3 321.509 2.252 20 30 DEEDHO CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001324558192 1142103169 /nfs/dbraw/zinc/10/31/69/1142103169.db2.gz YUJOHQMNAPDVCZ-LJQANCHMSA-N 1 3 319.493 2.056 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001278564615 1142178267 /nfs/dbraw/zinc/17/82/67/1142178267.db2.gz JLSRAWSFEKUJMQ-CVEARBPZSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCC[C@@H](O)CN1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001252597108 1142778139 /nfs/dbraw/zinc/77/81/39/1142778139.db2.gz WVODKYQCZKWRJI-MSOLQXFVSA-N 1 3 310.482 2.136 20 30 DEEDHO C=CCC[C@@H](O)CN1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001252597108 1142778148 /nfs/dbraw/zinc/77/81/48/1142778148.db2.gz WVODKYQCZKWRJI-MSOLQXFVSA-N 1 3 310.482 2.136 20 30 DEEDHO N#Cc1ccc(CC[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256680081 1143861917 /nfs/dbraw/zinc/86/19/17/1143861917.db2.gz WXSPXINXRRCORJ-UHFFFAOYSA-N 1 3 313.445 2.334 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001258727257 1144035958 /nfs/dbraw/zinc/03/59/58/1144035958.db2.gz CXKZDEOMQXVIAG-YVSFHVDLSA-N 1 3 303.454 2.027 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001258727257 1144035963 /nfs/dbraw/zinc/03/59/63/1144035963.db2.gz CXKZDEOMQXVIAG-YVSFHVDLSA-N 1 3 303.454 2.027 20 30 DEEDHO CCCCCCCC[C@H](N)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001263184141 1144359892 /nfs/dbraw/zinc/35/98/92/1144359892.db2.gz LWAXRRAYJNYIOO-KGLIPLIRSA-N 1 3 319.440 2.425 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)CC1 ZINC001264497322 1144547288 /nfs/dbraw/zinc/54/72/88/1144547288.db2.gz QZJCBRGTPKZUHR-MRXNPFEDSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001264658132 1144587134 /nfs/dbraw/zinc/58/71/34/1144587134.db2.gz CQNSSBHNCDJPKG-KURKYZTESA-N 1 3 321.509 2.462 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001264658132 1144587139 /nfs/dbraw/zinc/58/71/39/1144587139.db2.gz CQNSSBHNCDJPKG-KURKYZTESA-N 1 3 321.509 2.462 20 30 DEEDHO C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001266062722 1144801778 /nfs/dbraw/zinc/80/17/78/1144801778.db2.gz CBMNVPFEJPUGBH-HOTGVXAUSA-N 1 3 307.482 2.454 20 30 DEEDHO C=C(C)CN(C)Cc1ccccc1CNC(=O)CC[NH+](C)C ZINC001280333137 1144835985 /nfs/dbraw/zinc/83/59/85/1144835985.db2.gz HDZWKYXXGCHHNB-UHFFFAOYSA-N 1 3 303.450 2.262 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001280746998 1144852500 /nfs/dbraw/zinc/85/25/00/1144852500.db2.gz NAMSLFXAYFZMQC-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001280746998 1144852501 /nfs/dbraw/zinc/85/25/01/1144852501.db2.gz NAMSLFXAYFZMQC-MRXNPFEDSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CC[N@@H+](CC)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001281834090 1144915884 /nfs/dbraw/zinc/91/58/84/1144915884.db2.gz UMHTZOQGOIIUTJ-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CC[N@H+](CC)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001281834090 1144915886 /nfs/dbraw/zinc/91/58/86/1144915886.db2.gz UMHTZOQGOIIUTJ-UHFFFAOYSA-N 1 3 307.482 2.217 20 30 DEEDHO CC#CCN[C@H]1C[C@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001284001294 1145744511 /nfs/dbraw/zinc/74/45/11/1145744511.db2.gz PVGVKKZSQGVFCM-IRXDYDNUSA-N 1 3 319.493 2.243 20 30 DEEDHO CC#CCN[C@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001284001294 1145744519 /nfs/dbraw/zinc/74/45/19/1145744519.db2.gz PVGVKKZSQGVFCM-IRXDYDNUSA-N 1 3 319.493 2.243 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001316937246 1147635170 /nfs/dbraw/zinc/63/51/70/1147635170.db2.gz LQNHGGHSLNNOOA-KRWDZBQOSA-N 1 3 307.482 2.216 20 30 DEEDHO C=C(C)C[N@@H+](CCNC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001317557784 1147725114 /nfs/dbraw/zinc/72/51/14/1147725114.db2.gz AACSVGNRRBKSPD-QGZVFWFLSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)C[N@H+](CCNC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001317557784 1147725116 /nfs/dbraw/zinc/72/51/16/1147725116.db2.gz AACSVGNRRBKSPD-QGZVFWFLSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[NH2+]C[C@]1(C)CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001324802484 1147846758 /nfs/dbraw/zinc/84/67/58/1147846758.db2.gz FEZCEKMNHDLQHX-SFHVURJKSA-N 1 3 307.482 2.123 20 30 DEEDHO C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001326290191 1148070713 /nfs/dbraw/zinc/07/07/13/1148070713.db2.gz UNUNQUMSESFHEJ-MRXNPFEDSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCN1CCC(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000181722332 356092729 /nfs/dbraw/zinc/09/27/29/356092729.db2.gz CDLWYUKNRKGBNF-INIZCTEOSA-N 1 3 322.497 2.201 20 30 DEEDHO C=CCc1cc(CN[C@H]2CC23CC[NH2+]CC3)cc(OC)c1O ZINC000666952186 540368801 /nfs/dbraw/zinc/36/88/01/540368801.db2.gz JNSBRUZYLMMEOG-INIZCTEOSA-N 1 3 302.418 2.361 20 30 DEEDHO C[N@@H+]1CCCC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000600315307 359721192 /nfs/dbraw/zinc/72/11/92/359721192.db2.gz ROFFNMMISOKPGI-ROUUACIJSA-N 1 3 324.428 2.089 20 30 DEEDHO C[N@H+]1CCCC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000600315307 359721197 /nfs/dbraw/zinc/72/11/97/359721197.db2.gz ROFFNMMISOKPGI-ROUUACIJSA-N 1 3 324.428 2.089 20 30 DEEDHO CC(C)[NH+]1CCC(N2CCN(C[C@@H](C)CCC#N)CC2)CC1 ZINC000602483817 360400502 /nfs/dbraw/zinc/40/05/02/360400502.db2.gz MEMGIYDQBYODHI-KRWDZBQOSA-N 1 3 306.498 2.417 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCC[NH2+]CC1)C(C)C ZINC000669385676 540823192 /nfs/dbraw/zinc/82/31/92/540823192.db2.gz VUWIHQDUHBCCRS-DLBZAZTESA-N 1 3 322.497 2.126 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H]1CCCC[NH2+]1)C(C)C ZINC000669385693 540823223 /nfs/dbraw/zinc/82/32/23/540823223.db2.gz HHMHMORHGLWDIX-DLBZAZTESA-N 1 3 322.497 2.126 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC(C)([NH3+])CC1)C(C)C ZINC000669385646 540823463 /nfs/dbraw/zinc/82/34/63/540823463.db2.gz AJCYVSWRWKWFSQ-MRXNPFEDSA-N 1 3 322.497 2.208 20 30 DEEDHO C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000619374701 363775199 /nfs/dbraw/zinc/77/51/99/363775199.db2.gz VRWWFEWHIJFHSI-RDTXWAMCSA-N 1 3 324.428 2.087 20 30 DEEDHO C=CCN1CCC(NC(=O)NC(C)(C)CCC[NH+](C)C)CC1 ZINC000458331052 248263885 /nfs/dbraw/zinc/26/38/85/248263885.db2.gz HTHHGTQXDMDIHT-UHFFFAOYSA-N 1 3 310.486 2.056 20 30 DEEDHO C[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)CN(C)C ZINC000291686215 404478905 /nfs/dbraw/zinc/47/89/05/404478905.db2.gz IKQCFMIFLXLMQO-INIZCTEOSA-N 1 3 314.477 2.310 20 30 DEEDHO CN1CCC(O)(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360650947 147366345 /nfs/dbraw/zinc/36/63/45/147366345.db2.gz ZSEYPEZGIAKEED-GOSISDBHSA-N 1 3 313.445 2.372 20 30 DEEDHO CCc1cnc(CNC(N[C@H]2CN(C(C)C)C[C@@H]2C)=[NH+]C)s1 ZINC000158515314 402306830 /nfs/dbraw/zinc/30/68/30/402306830.db2.gz VHWQZFYWGVEBQX-JSGCOSHPSA-N 1 3 323.510 2.099 20 30 DEEDHO CC[C@H](C)[N@H+](C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279393434 402938217 /nfs/dbraw/zinc/93/82/17/402938217.db2.gz AADUTPGXOVQILE-YOEHRIQHSA-N 1 3 312.417 2.087 20 30 DEEDHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279393434 402938218 /nfs/dbraw/zinc/93/82/18/402938218.db2.gz AADUTPGXOVQILE-YOEHRIQHSA-N 1 3 312.417 2.087 20 30 DEEDHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280500043 403006509 /nfs/dbraw/zinc/00/65/09/403006509.db2.gz WMEPAFVLRBDHGQ-ZWKOTPCHSA-N 1 3 324.428 2.183 20 30 DEEDHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(C#N)c(F)c1 ZINC000282242053 403135623 /nfs/dbraw/zinc/13/56/23/403135623.db2.gz JCVGRLSBYZOBSV-CQSZACIVSA-N 1 3 318.440 2.374 20 30 DEEDHO C#CCCCN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000271047465 403257771 /nfs/dbraw/zinc/25/77/71/403257771.db2.gz OTFWLEIRWBUVND-UHFFFAOYSA-N 1 3 315.461 2.162 20 30 DEEDHO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(C#N)CCc3ccccc3)C2)C1 ZINC000346314940 403584330 /nfs/dbraw/zinc/58/43/30/403584330.db2.gz HMWORZYGDKICFX-IEBWSBKVSA-N 1 3 311.429 2.313 20 30 DEEDHO C[N@H+]1CC[C@@]2(CCN(C(=O)C(C#N)CCc3ccccc3)C2)C1 ZINC000346314940 403584333 /nfs/dbraw/zinc/58/43/33/403584333.db2.gz HMWORZYGDKICFX-IEBWSBKVSA-N 1 3 311.429 2.313 20 30 DEEDHO C[N@@H+]1CC[C@]2(CCN(C(=O)C(C#N)CCc3ccccc3)C2)C1 ZINC000346314942 403583886 /nfs/dbraw/zinc/58/38/86/403583886.db2.gz HMWORZYGDKICFX-MJGOQNOKSA-N 1 3 311.429 2.313 20 30 DEEDHO C[N@H+]1CC[C@]2(CCN(C(=O)C(C#N)CCc3ccccc3)C2)C1 ZINC000346314942 403583888 /nfs/dbraw/zinc/58/38/88/403583888.db2.gz HMWORZYGDKICFX-MJGOQNOKSA-N 1 3 311.429 2.313 20 30 DEEDHO CC(C#N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000347101148 403615501 /nfs/dbraw/zinc/61/55/01/403615501.db2.gz GMUYHAZRZBSBMD-LSDHHAIUSA-N 1 3 315.417 2.162 20 30 DEEDHO CN1CCN(CC2(C)CC[NH+](CCC(C)(C)C#N)CC2)CC1 ZINC000347242975 403634629 /nfs/dbraw/zinc/63/46/29/403634629.db2.gz YBNMAGZWXDHAFD-UHFFFAOYSA-N 1 3 306.498 2.276 20 30 DEEDHO C=CCC[C@H](O)C[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000305078367 403823324 /nfs/dbraw/zinc/82/33/24/403823324.db2.gz LRPZBYHYRRFFKB-NUJGCVRESA-N 1 3 310.482 2.135 20 30 DEEDHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1cccc(C#N)c1 ZINC000344160046 403948134 /nfs/dbraw/zinc/94/81/34/403948134.db2.gz WXKGUHIXPLMTAE-UHFFFAOYSA-N 1 3 314.477 2.408 20 30 DEEDHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1cccc(C#N)c1 ZINC000344160046 403948142 /nfs/dbraw/zinc/94/81/42/403948142.db2.gz WXKGUHIXPLMTAE-UHFFFAOYSA-N 1 3 314.477 2.408 20 30 DEEDHO CCCC[N@H+](C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349810339 404212222 /nfs/dbraw/zinc/21/22/22/404212222.db2.gz BARCAPCFEWCMGF-KRWDZBQOSA-N 1 3 312.417 2.089 20 30 DEEDHO CCCC[N@@H+](C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349810339 404212224 /nfs/dbraw/zinc/21/22/24/404212224.db2.gz BARCAPCFEWCMGF-KRWDZBQOSA-N 1 3 312.417 2.089 20 30 DEEDHO C[C@@H]1CSCCN(CC#CC[N@@H+]2CCSC[C@@H](C)C2)C1 ZINC000342127148 404384752 /nfs/dbraw/zinc/38/47/52/404384752.db2.gz LRIPNMMJESEFSO-HOTGVXAUSA-N 1 3 312.548 2.360 20 30 DEEDHO C[C@@H]1CSCCN(CC#CC[N@H+]2CCSC[C@@H](C)C2)C1 ZINC000342127148 404384760 /nfs/dbraw/zinc/38/47/60/404384760.db2.gz LRIPNMMJESEFSO-HOTGVXAUSA-N 1 3 312.548 2.360 20 30 DEEDHO C=C[C@@H]1OCC[C@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423156309 405705945 /nfs/dbraw/zinc/70/59/45/405705945.db2.gz RZQIPECNKIBPRZ-MUQADHOPSA-N 1 3 300.402 2.175 20 30 DEEDHO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C1 ZINC000571624052 406543891 /nfs/dbraw/zinc/54/38/91/406543891.db2.gz HUQJAXXXKZYOSX-QAPCUYQASA-N 1 3 313.445 2.425 20 30 DEEDHO CN(C)CCOc1ccc(CNC(=[NH2+])NC2CCCCC2)cc1 ZINC000264067977 225299179 /nfs/dbraw/zinc/29/91/79/225299179.db2.gz FMQSTEAAJQNZBI-UHFFFAOYSA-N 1 3 318.465 2.364 20 30 DEEDHO C=CCO[C@@H]1CCN(C/C=C\C[N@@H+]2CC[C@H](OCC=C)C2)C1 ZINC001329878030 1149008852 /nfs/dbraw/zinc/00/88/52/1149008852.db2.gz KNDMTZLLEIEQSD-SPCWZHTESA-N 1 3 306.450 2.096 20 30 DEEDHO C=CCO[C@@H]1CCN(C/C=C\C[N@H+]2CC[C@H](OCC=C)C2)C1 ZINC001329878030 1149008861 /nfs/dbraw/zinc/00/88/61/1149008861.db2.gz KNDMTZLLEIEQSD-SPCWZHTESA-N 1 3 306.450 2.096 20 30 DEEDHO C=CCO[C@@H]1CC[N@@H+](C/C=C\CN2CC[C@H](OCC=C)C2)C1 ZINC001329878030 1149008866 /nfs/dbraw/zinc/00/88/66/1149008866.db2.gz KNDMTZLLEIEQSD-SPCWZHTESA-N 1 3 306.450 2.096 20 30 DEEDHO C=CCO[C@@H]1CC[N@H+](C/C=C\CN2CC[C@H](OCC=C)C2)C1 ZINC001329878030 1149008877 /nfs/dbraw/zinc/00/88/77/1149008877.db2.gz KNDMTZLLEIEQSD-SPCWZHTESA-N 1 3 306.450 2.096 20 30 DEEDHO C=CCCC[C@@H](N)C(=O)N(CC[NH3+])Cc1cccc(Cl)c1 ZINC001358060274 1152359368 /nfs/dbraw/zinc/35/93/68/1152359368.db2.gz DXNSIDTUOKDGED-OAHLLOKOSA-N 1 3 309.841 2.311 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC001089060408 782141120 /nfs/dbraw/zinc/14/11/20/782141120.db2.gz KLJIIWJGFOHSTQ-PBHICJAKSA-N 1 3 301.434 2.127 20 30 DEEDHO C#CCN(C)CCC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000294909085 526826627 /nfs/dbraw/zinc/82/66/27/526826627.db2.gz GCXCXLDPNBNCTA-KRWDZBQOSA-N 1 3 317.477 2.233 20 30 DEEDHO C=C(Cl)CN[C@@H](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001368729783 1148622644 /nfs/dbraw/zinc/62/26/44/1148622644.db2.gz YHKXTNXSEVXZKT-KBPBESRZSA-N 1 3 301.862 2.098 20 30 DEEDHO C=C(Cl)CN[C@@H](C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001368729783 1148622656 /nfs/dbraw/zinc/62/26/56/1148622656.db2.gz YHKXTNXSEVXZKT-KBPBESRZSA-N 1 3 301.862 2.098 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001382359023 1153434638 /nfs/dbraw/zinc/43/46/38/1153434638.db2.gz VQOJHAQHORAALM-UONOGXRCSA-N 1 3 313.873 2.098 20 30 DEEDHO C[C@H](CC(C)(C)C#N)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000925652627 625524228 /nfs/dbraw/zinc/52/42/28/625524228.db2.gz GYDGTCCTJZSJLK-CQSZACIVSA-N 1 3 304.438 2.440 20 30 DEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000970671267 623606530 /nfs/dbraw/zinc/60/65/30/623606530.db2.gz YEWOLXXWCFDURA-OAHLLOKOSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(C)CN1CC([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000970712645 623636203 /nfs/dbraw/zinc/63/62/03/623636203.db2.gz AGQYDZUUQDIKFC-HNNXBMFYSA-N 1 3 319.493 2.121 20 30 DEEDHO C=C(C)CN1CC([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000970918393 623790758 /nfs/dbraw/zinc/79/07/58/623790758.db2.gz UOADLKZYWXJMDS-HNNXBMFYSA-N 1 3 315.461 2.374 20 30 DEEDHO C=CCN(C)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC000971828864 624619472 /nfs/dbraw/zinc/61/94/72/624619472.db2.gz OKCKBAPRFMUPLN-INIZCTEOSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCN(C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC000971828864 624619473 /nfs/dbraw/zinc/61/94/73/624619473.db2.gz OKCKBAPRFMUPLN-INIZCTEOSA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023130244 625164890 /nfs/dbraw/zinc/16/48/90/625164890.db2.gz GEGPFTBUYMCHMK-GASCZTMLSA-N 1 3 321.852 2.351 20 30 DEEDHO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001024469517 625799923 /nfs/dbraw/zinc/79/99/23/625799923.db2.gz SBARDBMMEHPACM-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001024469517 625799926 /nfs/dbraw/zinc/79/99/26/625799926.db2.gz SBARDBMMEHPACM-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC000997588040 633887485 /nfs/dbraw/zinc/88/74/85/633887485.db2.gz URCXDKVPMMRKHL-RDJZCZTQSA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCN2C)CC1 ZINC000997951659 634073272 /nfs/dbraw/zinc/07/32/72/634073272.db2.gz YNNNYQYAYOQNQS-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCN2C)CC1 ZINC000997951659 634073278 /nfs/dbraw/zinc/07/32/78/634073278.db2.gz YNNNYQYAYOQNQS-IAGOWNOFSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CN1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000981330337 635437255 /nfs/dbraw/zinc/43/72/55/635437255.db2.gz DPXQBFPXXGSZHO-KRWDZBQOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CN1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000981330337 635437260 /nfs/dbraw/zinc/43/72/60/635437260.db2.gz DPXQBFPXXGSZHO-KRWDZBQOSA-N 1 3 307.482 2.360 20 30 DEEDHO C=CCN1CCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028138474 635686835 /nfs/dbraw/zinc/68/68/35/635686835.db2.gz XERXKGGYDCASOL-SFHVURJKSA-N 1 3 315.461 2.171 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623536 636475157 /nfs/dbraw/zinc/47/51/57/636475157.db2.gz LUFHTOMXXTZODN-CALCHBBNSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623536 636475161 /nfs/dbraw/zinc/47/51/61/636475161.db2.gz LUFHTOMXXTZODN-CALCHBBNSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946642312 636516022 /nfs/dbraw/zinc/51/60/22/636516022.db2.gz DNQKWQFNXRZENB-FGTMMUONSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946642312 636516027 /nfs/dbraw/zinc/51/60/27/636516027.db2.gz DNQKWQFNXRZENB-FGTMMUONSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCN(Cc1ccc(OC)cc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923309010 637109001 /nfs/dbraw/zinc/10/90/01/637109001.db2.gz HYSWGFODKLJJSL-QGZVFWFLSA-N 1 3 302.418 2.062 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000764265314 640619981 /nfs/dbraw/zinc/61/99/81/640619981.db2.gz JLTUFJPKZRPKIC-OAHLLOKOSA-N 1 3 309.479 2.365 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000900179066 642282465 /nfs/dbraw/zinc/28/24/65/642282465.db2.gz FLKYERMDVNGCKK-SFHVURJKSA-N 1 3 315.461 2.275 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000901026642 642547634 /nfs/dbraw/zinc/54/76/34/642547634.db2.gz VFFCYQYNNXIQFZ-FUHWJXTLSA-N 1 3 315.461 2.274 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000901026644 642547859 /nfs/dbraw/zinc/54/78/59/642547859.db2.gz VFFCYQYNNXIQFZ-WMZOPIPTSA-N 1 3 315.461 2.274 20 30 DEEDHO N#CCCC[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccccc1 ZINC000814658803 646917774 /nfs/dbraw/zinc/91/77/74/646917774.db2.gz IJWKFCJQKHOXDF-MSOLQXFVSA-N 1 3 301.434 2.468 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]21 ZINC000992715128 647194422 /nfs/dbraw/zinc/19/44/22/647194422.db2.gz RRRMNOJMTPJUQF-BPQIPLTHSA-N 1 3 319.493 2.264 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C#N)c(Cl)c1 ZINC000848988988 651573118 /nfs/dbraw/zinc/57/31/18/651573118.db2.gz RHNNMXJRZWWCAB-AWEZNQCLSA-N 1 3 319.840 2.310 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccccc1C ZINC000304813456 685261837 /nfs/dbraw/zinc/26/18/37/685261837.db2.gz YZGUCZHSEAIORY-JKSUJKDBSA-N 1 3 318.465 2.151 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(F)c(Cl)c1 ZINC000303784027 685234477 /nfs/dbraw/zinc/23/44/77/685234477.db2.gz OWVAVGVULMLMNE-LBPRGKRZSA-N 1 3 312.820 2.368 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCOc1ccc(C)cc1 ZINC000303971315 685241303 /nfs/dbraw/zinc/24/13/03/685241303.db2.gz DISWJADKGSMKFU-MRXNPFEDSA-N 1 3 318.465 2.153 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001016618216 687665614 /nfs/dbraw/zinc/66/56/14/687665614.db2.gz QUBVPJIYPULHBN-HOTGVXAUSA-N 1 3 305.466 2.016 20 30 DEEDHO C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001016824768 687710558 /nfs/dbraw/zinc/71/05/58/687710558.db2.gz DXEDTZNMODBUND-SJORKVTESA-N 1 3 319.493 2.265 20 30 DEEDHO C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001032027039 689044836 /nfs/dbraw/zinc/04/48/36/689044836.db2.gz MHDLAENZBLSHBV-KRWDZBQOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001033470631 689513908 /nfs/dbraw/zinc/51/39/08/689513908.db2.gz BRKLBMWWDWXZBZ-IAGOWNOFSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001033470631 689513910 /nfs/dbraw/zinc/51/39/10/689513910.db2.gz BRKLBMWWDWXZBZ-IAGOWNOFSA-N 1 3 307.482 2.358 20 30 DEEDHO C=C(Cl)C[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000876712903 689912241 /nfs/dbraw/zinc/91/22/41/689912241.db2.gz FEUPLTLMJLRTRP-INIZCTEOSA-N 1 3 321.852 2.369 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000876724089 689916001 /nfs/dbraw/zinc/91/60/01/689916001.db2.gz NKRLUFJWSAFPDE-OAHLLOKOSA-N 1 3 315.889 2.427 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000876724089 689916005 /nfs/dbraw/zinc/91/60/05/689916005.db2.gz NKRLUFJWSAFPDE-OAHLLOKOSA-N 1 3 315.889 2.427 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000876763169 689929729 /nfs/dbraw/zinc/92/97/29/689929729.db2.gz IOMISWWRTXLYKX-DZGCQCFKSA-N 1 3 309.841 2.093 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000876763169 689929730 /nfs/dbraw/zinc/92/97/30/689929730.db2.gz IOMISWWRTXLYKX-DZGCQCFKSA-N 1 3 309.841 2.093 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CC(C)C)CC2)CC1 ZINC001034800333 689950825 /nfs/dbraw/zinc/95/08/25/689950825.db2.gz YNVBRJHLHDOHIX-IYARVYRRSA-N 1 3 319.493 2.005 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039179714 691040784 /nfs/dbraw/zinc/04/07/84/691040784.db2.gz DHSGQBACNLNOFT-MSOLQXFVSA-N 1 3 321.509 2.319 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039179714 691040785 /nfs/dbraw/zinc/04/07/85/691040785.db2.gz DHSGQBACNLNOFT-MSOLQXFVSA-N 1 3 321.509 2.319 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001040250942 691221130 /nfs/dbraw/zinc/22/11/30/691221130.db2.gz UVFACTQTXHDQPI-HKUYNNGSSA-N 1 3 321.509 2.463 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001040250942 691221132 /nfs/dbraw/zinc/22/11/32/691221132.db2.gz UVFACTQTXHDQPI-HKUYNNGSSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040391648 691241222 /nfs/dbraw/zinc/24/12/22/691241222.db2.gz QUSUAHYPOQCRNB-LJQANCHMSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040391648 691241224 /nfs/dbraw/zinc/24/12/24/691241224.db2.gz QUSUAHYPOQCRNB-LJQANCHMSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001040542925 691263188 /nfs/dbraw/zinc/26/31/88/691263188.db2.gz GRAFEUBGJMFHBH-HKUYNNGSSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001040542925 691263190 /nfs/dbraw/zinc/26/31/90/691263190.db2.gz GRAFEUBGJMFHBH-HKUYNNGSSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001041357415 691366537 /nfs/dbraw/zinc/36/65/37/691366537.db2.gz HFDWKKIHFVWQBV-MJGOQNOKSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001041357415 691366540 /nfs/dbraw/zinc/36/65/40/691366540.db2.gz HFDWKKIHFVWQBV-MJGOQNOKSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001041844629 691444610 /nfs/dbraw/zinc/44/46/10/691444610.db2.gz BIQHNEFQGFVNGE-MJGOQNOKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001041844629 691444611 /nfs/dbraw/zinc/44/46/11/691444611.db2.gz BIQHNEFQGFVNGE-MJGOQNOKSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H](C)C1 ZINC001044794650 691888374 /nfs/dbraw/zinc/88/83/74/691888374.db2.gz XNPJTVQISSKEKJ-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045942813 692059241 /nfs/dbraw/zinc/05/92/41/692059241.db2.gz AFLUHOYTQRHABV-MJGOQNOKSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045942813 692059246 /nfs/dbraw/zinc/05/92/46/692059246.db2.gz AFLUHOYTQRHABV-MJGOQNOKSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045969505 692065316 /nfs/dbraw/zinc/06/53/16/692065316.db2.gz ROZJUEWALYLMHL-SFHVURJKSA-N 1 3 316.449 2.233 20 30 DEEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045969505 692065319 /nfs/dbraw/zinc/06/53/19/692065319.db2.gz ROZJUEWALYLMHL-SFHVURJKSA-N 1 3 316.449 2.233 20 30 DEEDHO C#CCN(C(=O)CC[N@H+](C)C1CCCCC1)C1CCN(C)CC1 ZINC000886578519 692115805 /nfs/dbraw/zinc/11/58/05/692115805.db2.gz AHXFQPUUFPUENT-UHFFFAOYSA-N 1 3 319.493 2.197 20 30 DEEDHO C#CCN(C(=O)CC[N@@H+](C)C1CCCCC1)C1CCN(C)CC1 ZINC000886578519 692115807 /nfs/dbraw/zinc/11/58/07/692115807.db2.gz AHXFQPUUFPUENT-UHFFFAOYSA-N 1 3 319.493 2.197 20 30 DEEDHO C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001047226967 692398048 /nfs/dbraw/zinc/39/80/48/692398048.db2.gz BTMGNZXIJKGVBJ-MSOLQXFVSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001047226970 692398103 /nfs/dbraw/zinc/39/81/03/692398103.db2.gz BTMGNZXIJKGVBJ-ZWKOTPCHSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001049131031 692770740 /nfs/dbraw/zinc/77/07/40/692770740.db2.gz DDRNFJCHCGXRPT-HDICACEKSA-N 1 3 319.493 2.075 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001049131031 692770742 /nfs/dbraw/zinc/77/07/42/692770742.db2.gz DDRNFJCHCGXRPT-HDICACEKSA-N 1 3 319.493 2.075 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049531984 692913803 /nfs/dbraw/zinc/91/38/03/692913803.db2.gz FXRWSOSMHHCCAJ-IKGGRYGDSA-N 1 3 307.482 2.214 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049531984 692913805 /nfs/dbraw/zinc/91/38/05/692913805.db2.gz FXRWSOSMHHCCAJ-IKGGRYGDSA-N 1 3 307.482 2.214 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001050047277 693091631 /nfs/dbraw/zinc/09/16/31/693091631.db2.gz VKAKOQHDVNABGD-OKZBNKHCSA-N 1 3 319.493 2.358 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001050047277 693091634 /nfs/dbraw/zinc/09/16/34/693091634.db2.gz VKAKOQHDVNABGD-OKZBNKHCSA-N 1 3 319.493 2.358 20 30 DEEDHO C=CCC[NH+]1CCC2(CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC001050764972 693246522 /nfs/dbraw/zinc/24/65/22/693246522.db2.gz DVNUWCDOQVKLQR-IRXDYDNUSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)CC1 ZINC001050765474 693247151 /nfs/dbraw/zinc/24/71/51/693247151.db2.gz RNANWMYCQUEROX-QGZVFWFLSA-N 1 3 319.493 2.361 20 30 DEEDHO CC#CCN1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001052651725 693588415 /nfs/dbraw/zinc/58/84/15/693588415.db2.gz MNTIHXKTJKGDDH-MSOLQXFVSA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CCN1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001052651725 693588418 /nfs/dbraw/zinc/58/84/18/693588418.db2.gz MNTIHXKTJKGDDH-MSOLQXFVSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCN1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC001353536504 1151836982 /nfs/dbraw/zinc/83/69/82/1151836982.db2.gz ZGNAQPRSXFGPTH-XIRDDKMYSA-N 1 3 305.466 2.064 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001405526682 1164135401 /nfs/dbraw/zinc/13/54/01/1164135401.db2.gz UVDNKZYFYFRNFL-IHRRRGAJSA-N 1 3 301.862 2.096 20 30 DEEDHO C=C(Cl)C[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167223834 776780656 /nfs/dbraw/zinc/78/06/56/776780656.db2.gz BCGXQLRDXQWTEL-AWEZNQCLSA-N 1 3 313.873 2.099 20 30 DEEDHO C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001167385384 776978818 /nfs/dbraw/zinc/97/88/18/776978818.db2.gz AQMWIVIUVNRJDK-INIZCTEOSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001105067213 778322628 /nfs/dbraw/zinc/32/26/28/778322628.db2.gz RZQVEECMTMKCOT-ZACQAIPSSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001105067212 778323381 /nfs/dbraw/zinc/32/33/81/778323381.db2.gz RZQVEECMTMKCOT-BRWVUGGUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CC[N@H+]1CCC2(CN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001073452545 790664293 /nfs/dbraw/zinc/66/42/93/790664293.db2.gz JIHRKPBHUKRQKP-UHFFFAOYSA-N 1 3 313.445 2.082 20 30 DEEDHO C=CC[N@@H+]1CCC2(CN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001073452545 790664298 /nfs/dbraw/zinc/66/42/98/790664298.db2.gz JIHRKPBHUKRQKP-UHFFFAOYSA-N 1 3 313.445 2.082 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H]1CC ZINC001087601520 779372596 /nfs/dbraw/zinc/37/25/96/779372596.db2.gz VZAPGLGLUWNANW-IXDOHACOSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H]1CC ZINC001087601520 779372599 /nfs/dbraw/zinc/37/25/99/779372599.db2.gz VZAPGLGLUWNANW-IXDOHACOSA-N 1 3 307.482 2.119 20 30 DEEDHO C#CC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001088314960 779937939 /nfs/dbraw/zinc/93/79/39/779937939.db2.gz KYXDAFPFGYBNBD-QGZVFWFLSA-N 1 3 319.493 2.245 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001088381854 780051879 /nfs/dbraw/zinc/05/18/79/780051879.db2.gz OMJMWXQUVXPYQE-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001088429960 780114229 /nfs/dbraw/zinc/11/42/29/780114229.db2.gz DZGSEVHANPTTMP-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN(CC)CC)CCC1 ZINC001105568433 780767083 /nfs/dbraw/zinc/76/70/83/780767083.db2.gz PBUWCNRGIADENO-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001089641333 783310113 /nfs/dbraw/zinc/31/01/13/783310113.db2.gz KVDIUJYOXUPOAW-IAGOWNOFSA-N 1 3 319.493 2.121 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1CCC ZINC001085217644 783587981 /nfs/dbraw/zinc/58/79/81/783587981.db2.gz KQGHJBLGXRHUDG-BRWVUGGUSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CCN1C(=O)CCC12CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169134212 785050678 /nfs/dbraw/zinc/05/06/78/785050678.db2.gz RIZUTIXSEIFYGO-BJWYYQGGSA-N 1 3 317.477 2.255 20 30 DEEDHO C=CCN1C(=O)CCC12CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169134212 785050683 /nfs/dbraw/zinc/05/06/83/785050683.db2.gz RIZUTIXSEIFYGO-BJWYYQGGSA-N 1 3 317.477 2.255 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(CC)CC)C2 ZINC001108786276 785533927 /nfs/dbraw/zinc/53/39/27/785533927.db2.gz WBAUMBKTQBKYDK-ULQDDVLXSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108832791 785559663 /nfs/dbraw/zinc/55/96/63/785559663.db2.gz YGTIZTOAXRHTSO-BBWFWOEESA-N 1 3 307.482 2.262 20 30 DEEDHO C=C(C)C[NH2+]C1CC(CNC(=O)c2ccccc2CN(C)C)C1 ZINC001091377728 791129189 /nfs/dbraw/zinc/12/91/89/791129189.db2.gz WRHFRIPQRCNUNT-UHFFFAOYSA-N 1 3 315.461 2.422 20 30 DEEDHO C=CCN1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132493583 788104710 /nfs/dbraw/zinc/10/47/10/788104710.db2.gz MGPQCTGPYCHETR-IAGOWNOFSA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133345579 788375079 /nfs/dbraw/zinc/37/50/79/788375079.db2.gz DVXOUZGFKLHHFR-HIFRSBDPSA-N 1 3 315.889 2.153 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092010905 791922966 /nfs/dbraw/zinc/92/29/66/791922966.db2.gz NRVRPJZJPXGTJM-SCTDSRPQSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092010905 791922969 /nfs/dbraw/zinc/92/29/69/791922969.db2.gz NRVRPJZJPXGTJM-SCTDSRPQSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001100383015 792621725 /nfs/dbraw/zinc/62/17/25/792621725.db2.gz HNRJXIDYMLGOAB-OFLPRAFFSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103436338 794092325 /nfs/dbraw/zinc/09/23/25/794092325.db2.gz UJLUAWWSVGTODJ-RCCFBDPRSA-N 1 3 321.509 2.369 20 30 DEEDHO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103436338 794092332 /nfs/dbraw/zinc/09/23/32/794092332.db2.gz UJLUAWWSVGTODJ-RCCFBDPRSA-N 1 3 321.509 2.369 20 30 DEEDHO C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C(C)C)N(C)C ZINC001177408531 794662840 /nfs/dbraw/zinc/66/28/40/794662840.db2.gz CHNASKLXSNJPKN-GOSISDBHSA-N 1 3 321.509 2.204 20 30 DEEDHO C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CCC[C@@H]1C ZINC001177415543 794665646 /nfs/dbraw/zinc/66/56/46/794665646.db2.gz BOYQWPZMGKPAAG-KRWDZBQOSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CCC ZINC001115161522 794693137 /nfs/dbraw/zinc/69/31/37/794693137.db2.gz HKJONVPCLJXLEC-VQFNDLOPSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CCC ZINC001115161522 794693142 /nfs/dbraw/zinc/69/31/42/794693142.db2.gz HKJONVPCLJXLEC-VQFNDLOPSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CC[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CCCCC1 ZINC001115533396 794812680 /nfs/dbraw/zinc/81/26/80/794812680.db2.gz DHGGVPLOODPAFP-MRXNPFEDSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@H]2C)CCCCC1 ZINC001120189396 795419580 /nfs/dbraw/zinc/41/95/80/795419580.db2.gz IYKWGIJZGVGDIH-HZPDHXFCSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@H](CC)N(C)C)C2)C1 ZINC001121799037 795688970 /nfs/dbraw/zinc/68/89/70/795688970.db2.gz YTFCQICUNABVES-HVEGKCCWSA-N 1 3 307.482 2.310 20 30 DEEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001185167186 796199811 /nfs/dbraw/zinc/19/98/11/796199811.db2.gz CXDHBPMOASZHFW-IAGOWNOFSA-N 1 3 321.509 2.369 20 30 DEEDHO CC#CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001185168699 796201314 /nfs/dbraw/zinc/20/13/14/796201314.db2.gz IUYQPJYXAZSJHG-IRXDYDNUSA-N 1 3 321.509 2.062 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001185546397 796288634 /nfs/dbraw/zinc/28/86/34/796288634.db2.gz BLWAMPYJTQQCLO-DLBZAZTESA-N 1 3 309.498 2.369 20 30 DEEDHO C=CCCCCC[NH2+][C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001185659736 796301096 /nfs/dbraw/zinc/30/10/96/796301096.db2.gz PSOFTDORFCVUNI-IAGOWNOFSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N(C)CC)C12CCC2 ZINC001203103872 796649812 /nfs/dbraw/zinc/64/98/12/796649812.db2.gz NJCUASRBRQCHJZ-LSDHHAIUSA-N 1 3 307.482 2.310 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)N(C)CC)C12CCC2 ZINC001203103869 796650067 /nfs/dbraw/zinc/65/00/67/796650067.db2.gz NJCUASRBRQCHJZ-CABCVRRESA-N 1 3 307.482 2.310 20 30 DEEDHO C#CCC[N@@H+](C)[C@H]1CCN(C(=O)CN(C)CCCCCC)C1 ZINC001192905260 797468327 /nfs/dbraw/zinc/46/83/27/797468327.db2.gz CZZVBOAAGQTGJE-KRWDZBQOSA-N 1 3 307.482 2.055 20 30 DEEDHO C#CCC[N@H+](C)[C@H]1CCN(C(=O)CN(C)CCCCCC)C1 ZINC001192905260 797468332 /nfs/dbraw/zinc/46/83/32/797468332.db2.gz CZZVBOAAGQTGJE-KRWDZBQOSA-N 1 3 307.482 2.055 20 30 DEEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001155622379 797808225 /nfs/dbraw/zinc/80/82/25/797808225.db2.gz VDDBTNMBGVQRBC-SJORKVTESA-N 1 3 307.482 2.099 20 30 DEEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001155622379 797808234 /nfs/dbraw/zinc/80/82/34/797808234.db2.gz VDDBTNMBGVQRBC-SJORKVTESA-N 1 3 307.482 2.099 20 30 DEEDHO C#CCN1CCC(C(=O)NCC[NH2+]CCCCCCC)CC1 ZINC001152329887 798172081 /nfs/dbraw/zinc/17/20/81/798172081.db2.gz DBVUFWUFPGRLQZ-UHFFFAOYSA-N 1 3 307.482 2.008 20 30 DEEDHO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001158473386 798412659 /nfs/dbraw/zinc/41/26/59/798412659.db2.gz KRWDJRFNAQLSRL-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001158473386 798412664 /nfs/dbraw/zinc/41/26/64/798412664.db2.gz KRWDJRFNAQLSRL-IAGOWNOFSA-N 1 3 307.482 2.217 20 30 DEEDHO C#CC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)CCCCCC)C12CCC2 ZINC001203508296 800065053 /nfs/dbraw/zinc/06/50/53/800065053.db2.gz XKZDKLCXSHCYJT-IAGOWNOFSA-N 1 3 319.493 2.149 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203791395 800123919 /nfs/dbraw/zinc/12/39/19/800123919.db2.gz IEIQGUUFMCRAGC-CVEARBPZSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCOC(=O)N1CCC2(C[NH+](C[C@@H]3CCCN(C)C3)C2)CC1 ZINC001208604136 801026659 /nfs/dbraw/zinc/02/66/59/801026659.db2.gz LDNVKXZVQDDNFH-MRXNPFEDSA-N 1 3 321.465 2.049 20 30 DEEDHO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3cnccc3N)C2)c1 ZINC001209738291 801269250 /nfs/dbraw/zinc/26/92/50/801269250.db2.gz XVQZGDYAGTVBFA-QGZVFWFLSA-N 1 3 308.385 2.409 20 30 DEEDHO N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3cnccc3N)C2)c1 ZINC001209738291 801269256 /nfs/dbraw/zinc/26/92/56/801269256.db2.gz XVQZGDYAGTVBFA-QGZVFWFLSA-N 1 3 308.385 2.409 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CCC ZINC001229853508 801327615 /nfs/dbraw/zinc/32/76/15/801327615.db2.gz UNIPERMBWAIXKG-HUUCEWRRSA-N 1 3 315.889 2.488 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CCC ZINC001229853508 801327622 /nfs/dbraw/zinc/32/76/22/801327622.db2.gz UNIPERMBWAIXKG-HUUCEWRRSA-N 1 3 315.889 2.488 20 30 DEEDHO C#CCN1CCC(C(=O)NC2CC[NH+](CCCCC)CC2)CC1 ZINC001230354676 801392033 /nfs/dbraw/zinc/39/20/33/801392033.db2.gz HDFJHHUJSAACER-UHFFFAOYSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221714192 802606236 /nfs/dbraw/zinc/60/62/36/802606236.db2.gz RJUXMCRPFOGMTH-IAGOWNOFSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CC[NH+]1CCC(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001223471668 802792866 /nfs/dbraw/zinc/79/28/66/802792866.db2.gz CYZWZKOCIIEUMP-UHFFFAOYSA-N 1 3 307.482 2.265 20 30 DEEDHO CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001479830876 1061861207 /nfs/dbraw/zinc/86/12/07/1061861207.db2.gz RJNJUMHMVFCUOA-IRXDYDNUSA-N 1 3 321.509 2.347 20 30 DEEDHO C=CCN1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001507386510 1063207779 /nfs/dbraw/zinc/20/77/79/1063207779.db2.gz LZSIESDYPVKJER-IRXDYDNUSA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCCN1CC[C@@H](N(CCC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001567692552 1064348189 /nfs/dbraw/zinc/34/81/89/1064348189.db2.gz COAGOCAALTYQLB-GOSISDBHSA-N 1 3 319.493 2.199 20 30 DEEDHO C#CCN1CCC(C(=O)N(CCC)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001567692493 1064349735 /nfs/dbraw/zinc/34/97/35/1064349735.db2.gz BTKSTKQZLSAASZ-SFHVURJKSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCN1CCC(C(=O)N(CCC)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001567692493 1064349747 /nfs/dbraw/zinc/34/97/47/1064349747.db2.gz BTKSTKQZLSAASZ-SFHVURJKSA-N 1 3 319.493 2.053 20 30 DEEDHO C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001568393096 1064833037 /nfs/dbraw/zinc/83/30/37/1064833037.db2.gz CWSBHAJJQGEYHW-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCN(C)CCN(CC)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001568551876 1064960527 /nfs/dbraw/zinc/96/05/27/1064960527.db2.gz WMFLGZSVKINYJO-UHFFFAOYSA-N 1 3 317.477 2.371 20 30 DEEDHO C=C(C)C[NH2+][C@@H](C)CCNC(=O)c1cccc(CN(C)C)c1 ZINC001570475390 1066087233 /nfs/dbraw/zinc/08/72/33/1066087233.db2.gz BVUFNMLAOKPEKF-HNNXBMFYSA-N 1 3 303.450 2.422 20 30 DEEDHO N#C[C@H](c1ccccc1)N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC001580036093 1067477617 /nfs/dbraw/zinc/47/76/17/1067477617.db2.gz NHHBVYGSAYGDDI-LJQANCHMSA-N 1 3 312.461 2.259 20 30 DEEDHO C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001571534893 1068403147 /nfs/dbraw/zinc/40/31/47/1068403147.db2.gz USPYMALPHFPTOM-IAGOWNOFSA-N 1 3 319.493 2.149 20 30 DEEDHO C=CCN[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001267357868 1078790814 /nfs/dbraw/zinc/79/08/14/1078790814.db2.gz SQZVSYJVPPYPCO-ZWKOTPCHSA-N 1 3 315.461 2.492 20 30 DEEDHO C=CCN[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001267357868 1078790817 /nfs/dbraw/zinc/79/08/17/1078790817.db2.gz SQZVSYJVPPYPCO-ZWKOTPCHSA-N 1 3 315.461 2.492 20 30 DEEDHO CC#CC[N@@H+](CCNC(=O)[C@H](CC)N(C)C)C1CCCCCC1 ZINC001483813270 1079136904 /nfs/dbraw/zinc/13/69/04/1079136904.db2.gz LBODGRNOIAQXIO-SFHVURJKSA-N 1 3 321.509 2.491 20 30 DEEDHO CC#CC[N@H+](CCNC(=O)[C@H](CC)N(C)C)C1CCCCCC1 ZINC001483813270 1079136906 /nfs/dbraw/zinc/13/69/06/1079136906.db2.gz LBODGRNOIAQXIO-SFHVURJKSA-N 1 3 321.509 2.491 20 30 DEEDHO C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001484136334 1079317550 /nfs/dbraw/zinc/31/75/50/1079317550.db2.gz CKNJUPRMHPDVPK-MRXNPFEDSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(Cl)C[C@@H](N)C(=O)N(CC[NH3+])Cc1cccc(Cl)c1 ZINC001649985073 1079339317 /nfs/dbraw/zinc/33/93/17/1079339317.db2.gz JQBRXTICPCOSQN-CYBMUJFWSA-N 1 3 316.232 2.097 20 30 DEEDHO C#CCN1CCC2(C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001565923178 1075206461 /nfs/dbraw/zinc/20/64/61/1075206461.db2.gz VXRCQWIUQRPWPD-QGZVFWFLSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CC[NH2+]CC1(NC(=O)[C@@H](C)N2CCCCCC2)CCCC1 ZINC001267844656 1079535263 /nfs/dbraw/zinc/53/52/63/1079535263.db2.gz UYRGUSPVVFKRLA-MRXNPFEDSA-N 1 3 307.482 2.456 20 30 DEEDHO C=CCOc1cccc(C[NH2+]CCCN2CCN(CC)CC2)c1 ZINC001656037364 1080031500 /nfs/dbraw/zinc/03/15/00/1080031500.db2.gz XXSUIYXCWKNZTD-UHFFFAOYSA-N 1 3 317.477 2.369 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001656200695 1080064526 /nfs/dbraw/zinc/06/45/26/1080064526.db2.gz HNRJXIDYMLGOAB-BRWVUGGUSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001485230265 1080077575 /nfs/dbraw/zinc/07/75/75/1080077575.db2.gz RPLBJUCQQZGKHU-LSDHHAIUSA-N 1 3 303.450 2.421 20 30 DEEDHO N#CCCNCC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001659618402 1080244839 /nfs/dbraw/zinc/24/48/39/1080244839.db2.gz QGNCZHJJPHCGGH-UHFFFAOYSA-N 1 3 316.405 2.353 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001481729500 1080397260 /nfs/dbraw/zinc/39/72/60/1080397260.db2.gz WDSUEACAXKQUOO-IAGOWNOFSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001481729500 1080397268 /nfs/dbraw/zinc/39/72/68/1080397268.db2.gz WDSUEACAXKQUOO-IAGOWNOFSA-N 1 3 307.482 2.358 20 30 DEEDHO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCN1CCCCC1 ZINC001272716908 1080486037 /nfs/dbraw/zinc/48/60/37/1080486037.db2.gz MGZKDTWUMPNGQL-IAGOWNOFSA-N 1 3 305.466 2.114 20 30 DEEDHO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCCN1CCCCC1 ZINC001272716908 1080486041 /nfs/dbraw/zinc/48/60/41/1080486041.db2.gz MGZKDTWUMPNGQL-IAGOWNOFSA-N 1 3 305.466 2.114 20 30 DEEDHO C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001662844896 1080666361 /nfs/dbraw/zinc/66/63/61/1080666361.db2.gz JWMNQDBGFQAIQL-SJORKVTESA-N 1 3 309.498 2.462 20 30 DEEDHO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001662844896 1080666367 /nfs/dbraw/zinc/66/63/67/1080666367.db2.gz JWMNQDBGFQAIQL-SJORKVTESA-N 1 3 309.498 2.462 20 30 DEEDHO C#CCCN1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001665646629 1081055998 /nfs/dbraw/zinc/05/59/98/1081055998.db2.gz AZYNTKYGUHOLNT-QGZVFWFLSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CC[NH2+]C[C@@](C)(NC(=O)[C@@H](C)N1CCCCCC1)C1CC1 ZINC001666027167 1081112625 /nfs/dbraw/zinc/11/26/25/1081112625.db2.gz WUNSCUKJNZZIMZ-CRAIPNDOSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001666620922 1081167605 /nfs/dbraw/zinc/16/76/05/1081167605.db2.gz UZGCHOZGOYBGIZ-YOEHRIQHSA-N 1 3 313.461 2.117 20 30 DEEDHO C=C(C)CN1CC[C@H](N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001269296862 1081203266 /nfs/dbraw/zinc/20/32/66/1081203266.db2.gz SLZROENLGLCSPW-KRWDZBQOSA-N 1 3 307.482 2.361 20 30 DEEDHO C=CCC[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CCCC1 ZINC001482219509 1081251560 /nfs/dbraw/zinc/25/15/60/1081251560.db2.gz KLKRENPODUIKON-MRXNPFEDSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001493206131 1081364042 /nfs/dbraw/zinc/36/40/42/1081364042.db2.gz DVXBPYMFXZZPDO-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001493206131 1081364049 /nfs/dbraw/zinc/36/40/49/1081364049.db2.gz DVXBPYMFXZZPDO-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001671748317 1081536616 /nfs/dbraw/zinc/53/66/16/1081536616.db2.gz SIUKKSFHRZDJOO-SFHVURJKSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001672990691 1081729150 /nfs/dbraw/zinc/72/91/50/1081729150.db2.gz FRKYIIUSYPWXOV-SHTZXODSSA-N 1 3 304.438 2.101 20 30 DEEDHO CC#CCN1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001674154777 1081849576 /nfs/dbraw/zinc/84/95/76/1081849576.db2.gz MJVVRWWUGZADND-ROUUACIJSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001674352974 1081863371 /nfs/dbraw/zinc/86/33/71/1081863371.db2.gz JZOTVORXVAHFRR-QGZVFWFLSA-N 1 3 309.498 2.463 20 30 DEEDHO C=CCC[N@H+](CC)CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001674352974 1081863375 /nfs/dbraw/zinc/86/33/75/1081863375.db2.gz JZOTVORXVAHFRR-QGZVFWFLSA-N 1 3 309.498 2.463 20 30 DEEDHO C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266819982 1082369592 /nfs/dbraw/zinc/36/95/92/1082369592.db2.gz HEKUSQZBGNAJDT-DLBZAZTESA-N 1 3 309.498 2.367 20 30 DEEDHO N#CCCC[NH+]1CCC2(CCN(Cc3cccc(=O)[nH]3)C2)CC1 ZINC001277943575 1084423428 /nfs/dbraw/zinc/42/34/28/1084423428.db2.gz ZFNXOKXNJOWMFT-UHFFFAOYSA-N 1 3 314.433 2.379 20 30 DEEDHO C=CCCC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CC1(C)C ZINC001486246929 1085163823 /nfs/dbraw/zinc/16/38/23/1085163823.db2.gz VHLSUIQRPINGOG-HOTGVXAUSA-N 1 3 309.498 2.365 20 30 DEEDHO C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCN3C(C)C)C2)C1 ZINC000963787394 1086558843 /nfs/dbraw/zinc/55/88/43/1086558843.db2.gz IWABDNNSLHRUDI-RFSHTEQGSA-N 1 3 319.493 2.452 20 30 DEEDHO C=CC[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC000957606041 1088453084 /nfs/dbraw/zinc/45/30/84/1088453084.db2.gz WWFOGRABQJFSJZ-QGZVFWFLSA-N 1 3 319.493 2.219 20 30 DEEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001080992317 1089281259 /nfs/dbraw/zinc/28/12/59/1089281259.db2.gz FCVJLCROIIQMIE-CRAIPNDOSA-N 1 3 315.461 2.374 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001080992317 1089281288 /nfs/dbraw/zinc/28/12/88/1089281288.db2.gz FCVJLCROIIQMIE-CRAIPNDOSA-N 1 3 315.461 2.374 20 30 DEEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957745 1090546532 /nfs/dbraw/zinc/54/65/32/1090546532.db2.gz UJJMWSSBANMRRM-SQNIBIBYSA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957745 1090546535 /nfs/dbraw/zinc/54/65/35/1090546535.db2.gz UJJMWSSBANMRRM-SQNIBIBYSA-N 1 3 319.493 2.073 20 30 DEEDHO C=CCN(CCN[C@@]12CC[C@@]([NH2+]C)(C1)CCC2)C(=O)OCC ZINC001274929524 1091479703 /nfs/dbraw/zinc/47/97/03/1091479703.db2.gz QIUNLULMLLNFKP-SJORKVTESA-N 1 3 309.454 2.285 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001276070851 1091508135 /nfs/dbraw/zinc/50/81/35/1091508135.db2.gz OJNZTSBYRLMBJX-GJZGRUSLSA-N 1 3 313.873 2.194 20 30 DEEDHO C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001276070851 1091508142 /nfs/dbraw/zinc/50/81/42/1091508142.db2.gz OJNZTSBYRLMBJX-GJZGRUSLSA-N 1 3 313.873 2.194 20 30 DEEDHO C=CCCC[N@H+]1CCC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001273445295 1091769753 /nfs/dbraw/zinc/76/97/53/1091769753.db2.gz LJOAXWURTIISFX-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCCC[N@@H+]1CCC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001273445295 1091769760 /nfs/dbraw/zinc/76/97/60/1091769760.db2.gz LJOAXWURTIISFX-SJORKVTESA-N 1 3 307.482 2.265 20 30 DEEDHO CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001273802302 1092062029 /nfs/dbraw/zinc/06/20/29/1092062029.db2.gz UONNRKWBEDHUGG-KRWDZBQOSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001480110124 1151656431 /nfs/dbraw/zinc/65/64/31/1151656431.db2.gz ZNMJEOWCMGAPMT-INIZCTEOSA-N 1 3 307.482 2.408 20 30 DEEDHO Cn1cc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c2cc(C#N)ccc21 ZINC001237467829 1138645384 /nfs/dbraw/zinc/64/53/84/1138645384.db2.gz TXOAJHMOPNBWEV-CVEARBPZSA-N 1 3 308.429 2.433 20 30 DEEDHO Cn1cc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c2cc(C#N)ccc21 ZINC001237467829 1138645398 /nfs/dbraw/zinc/64/53/98/1138645398.db2.gz TXOAJHMOPNBWEV-CVEARBPZSA-N 1 3 308.429 2.433 20 30 DEEDHO C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CCN1 ZINC001246361464 1140888221 /nfs/dbraw/zinc/88/82/21/1140888221.db2.gz LLPAYMWSCVQWCU-BEFAXECRSA-N 1 3 312.461 2.253 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCCCC)C2)CC1 ZINC001278449642 1140914968 /nfs/dbraw/zinc/91/49/68/1140914968.db2.gz GJJDDRLYUHEFBN-IBGZPJMESA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCCCC)C2)CC1 ZINC001278449642 1140914978 /nfs/dbraw/zinc/91/49/78/1140914978.db2.gz GJJDDRLYUHEFBN-IBGZPJMESA-N 1 3 319.493 2.102 20 30 DEEDHO CC#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)CC1(C)C ZINC001278673807 1142775036 /nfs/dbraw/zinc/77/50/36/1142775036.db2.gz VWIUQVXCRNOPFH-SJORKVTESA-N 1 3 319.493 2.099 20 30 DEEDHO C=CCCC[C@@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC001340626169 1143384650 /nfs/dbraw/zinc/38/46/50/1143384650.db2.gz FGNXULXSEGDVMT-BRWVUGGUSA-N 1 3 319.424 2.071 20 30 DEEDHO C=CCCC[C@@H]([NH3+])C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001341805040 1143714447 /nfs/dbraw/zinc/71/44/47/1143714447.db2.gz HPGZFIQBQWUJSE-ZWKOTPCHSA-N 1 3 315.461 2.403 20 30 DEEDHO CCCCCCCC[C@@H](N)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001263184143 1144360147 /nfs/dbraw/zinc/36/01/47/1144360147.db2.gz LWAXRRAYJNYIOO-ZIAGYGMSSA-N 1 3 319.440 2.425 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCCCC)C2)CC1 ZINC001263851838 1144411854 /nfs/dbraw/zinc/41/18/54/1144411854.db2.gz WNDUVGOUWJWNMH-MAEOIBBWSA-N 1 3 319.493 2.006 20 30 DEEDHO C=C(C)CC[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001265366156 1144698607 /nfs/dbraw/zinc/69/86/07/1144698607.db2.gz JESRYGOBKLODSY-INIZCTEOSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCN1CC=C(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001279654746 1144826814 /nfs/dbraw/zinc/82/68/14/1144826814.db2.gz YBROQBVVHNTOOX-MRXNPFEDSA-N 1 3 305.466 2.185 20 30 DEEDHO C=CCC[N@@H+](CC)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001281841305 1144916142 /nfs/dbraw/zinc/91/61/42/1144916142.db2.gz YDZDGOICUPDULQ-UHFFFAOYSA-N 1 3 304.438 2.089 20 30 DEEDHO C=CCC[N@H+](CC)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001281841305 1144916143 /nfs/dbraw/zinc/91/61/43/1144916143.db2.gz YDZDGOICUPDULQ-UHFFFAOYSA-N 1 3 304.438 2.089 20 30 DEEDHO C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001284976997 1146000896 /nfs/dbraw/zinc/00/08/96/1146000896.db2.gz QJMHNHZFWDHZBM-RDJZCZTQSA-N 1 3 307.482 2.430 20 30 DEEDHO C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001284976997 1146000899 /nfs/dbraw/zinc/00/08/99/1146000899.db2.gz QJMHNHZFWDHZBM-RDJZCZTQSA-N 1 3 307.482 2.430 20 30 DEEDHO C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001365924967 1146912488 /nfs/dbraw/zinc/91/24/88/1146912488.db2.gz MZRVYCBSMRXDQE-UONOGXRCSA-N 1 3 301.862 2.050 20 30 DEEDHO C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)C2CCC2)CC1 ZINC001316997091 1147646578 /nfs/dbraw/zinc/64/65/78/1147646578.db2.gz BZAVEIJITNDERV-INIZCTEOSA-N 1 3 305.466 2.018 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001317201945 1147675812 /nfs/dbraw/zinc/67/58/12/1147675812.db2.gz DPQROPZZXKZDNU-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001317201945 1147675814 /nfs/dbraw/zinc/67/58/14/1147675814.db2.gz DPQROPZZXKZDNU-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[NH2+][C@H](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001317406416 1147702360 /nfs/dbraw/zinc/70/23/60/1147702360.db2.gz SETGAIVKHBMDSP-PBHICJAKSA-N 1 3 313.461 2.259 20 30 DEEDHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001318204533 1147796226 /nfs/dbraw/zinc/79/62/26/1147796226.db2.gz OAVBPYIOPYWJHS-IRXDYDNUSA-N 1 3 317.477 2.114 20 30 DEEDHO C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001326290190 1148070238 /nfs/dbraw/zinc/07/02/38/1148070238.db2.gz UNUNQUMSESFHEJ-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H](CC)N(C)C)cc1 ZINC001326469832 1148109183 /nfs/dbraw/zinc/10/91/83/1148109183.db2.gz VZMZOJSSZZGDHN-CRAIPNDOSA-N 1 3 315.461 2.317 20 30 DEEDHO C[C@H]1CCC[N@H+](CCNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001326583546 1148151605 /nfs/dbraw/zinc/15/16/05/1148151605.db2.gz AZMFKOMIGVILKY-HNNXBMFYSA-N 1 3 314.433 2.208 20 30 DEEDHO C[C@H]1CCC[N@@H+](CCNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001326583546 1148151615 /nfs/dbraw/zinc/15/16/15/1148151615.db2.gz AZMFKOMIGVILKY-HNNXBMFYSA-N 1 3 314.433 2.208 20 30 DEEDHO CCN1CCN(CCC[NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000181492162 199305859 /nfs/dbraw/zinc/30/58/59/199305859.db2.gz XPZSBDWQMVMTAU-MRXNPFEDSA-N 1 3 300.450 2.236 20 30 DEEDHO C#CCN1CCC(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000068084843 354795404 /nfs/dbraw/zinc/79/54/04/354795404.db2.gz IRKRZRIJYUVEHY-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCN1CCC(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000068084843 354795407 /nfs/dbraw/zinc/79/54/07/354795407.db2.gz IRKRZRIJYUVEHY-QGZVFWFLSA-N 1 3 319.493 2.102 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)C(C)C ZINC000581240299 357153880 /nfs/dbraw/zinc/15/38/80/357153880.db2.gz KWJMUAPIBXBCCY-IRXDYDNUSA-N 1 3 322.497 2.065 20 30 DEEDHO C[C@H]1CC[NH2+]C[C@@H]1NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593322337 358054785 /nfs/dbraw/zinc/05/47/85/358054785.db2.gz MDVBLVIKIVAQJV-KXBFYZLASA-N 1 3 312.461 2.110 20 30 DEEDHO N#Cc1cccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000180997747 199238650 /nfs/dbraw/zinc/23/86/50/199238650.db2.gz BWJAKUGNNFSKDU-HXUWFJFHSA-N 1 3 321.424 2.415 20 30 DEEDHO N#Cc1cccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000180997747 199238652 /nfs/dbraw/zinc/23/86/52/199238652.db2.gz BWJAKUGNNFSKDU-HXUWFJFHSA-N 1 3 321.424 2.415 20 30 DEEDHO C=CCN1CCC(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237425363 202261858 /nfs/dbraw/zinc/26/18/58/202261858.db2.gz JCVBSEBHOAEOMS-WMLDXEAASA-N 1 3 301.434 2.089 20 30 DEEDHO COCC#CC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000678464403 541733033 /nfs/dbraw/zinc/73/30/33/541733033.db2.gz DRAOCNKDLKEEPF-UHFFFAOYSA-N 1 3 301.434 2.270 20 30 DEEDHO COCC#CC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000678464403 541733035 /nfs/dbraw/zinc/73/30/35/541733035.db2.gz DRAOCNKDLKEEPF-UHFFFAOYSA-N 1 3 301.434 2.270 20 30 DEEDHO COCC#CCN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000678464403 541733038 /nfs/dbraw/zinc/73/30/38/541733038.db2.gz DRAOCNKDLKEEPF-UHFFFAOYSA-N 1 3 301.434 2.270 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000106263482 194192569 /nfs/dbraw/zinc/19/25/69/194192569.db2.gz QLELFPJYIJOBMN-MRXNPFEDSA-N 1 3 322.497 2.058 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000106263482 194192571 /nfs/dbraw/zinc/19/25/71/194192571.db2.gz QLELFPJYIJOBMN-MRXNPFEDSA-N 1 3 322.497 2.058 20 30 DEEDHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000538397942 285034171 /nfs/dbraw/zinc/03/41/71/285034171.db2.gz GGFWKTLXVYQSEC-MRXNPFEDSA-N 1 3 300.450 2.236 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC000106323221 402213347 /nfs/dbraw/zinc/21/33/47/402213347.db2.gz IEZHXKDEUGEYQU-INIZCTEOSA-N 1 3 322.497 2.058 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC000106323221 402213349 /nfs/dbraw/zinc/21/33/49/402213349.db2.gz IEZHXKDEUGEYQU-INIZCTEOSA-N 1 3 322.497 2.058 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)NC2CC[NH+](CCC)CC2)CC1 ZINC000107328125 402230201 /nfs/dbraw/zinc/23/02/01/402230201.db2.gz ZHWSIHGBSVCNIL-UHFFFAOYSA-N 1 3 322.497 2.201 20 30 DEEDHO C=CCN1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000171734904 402616355 /nfs/dbraw/zinc/61/63/55/402616355.db2.gz XJMMKQGGQZLXSO-QGZVFWFLSA-N 1 3 322.497 2.056 20 30 DEEDHO COCC[N@H+](C)CCCN[C@H](C)c1ccc(OCC#N)cc1 ZINC000271910357 402885339 /nfs/dbraw/zinc/88/53/39/402885339.db2.gz XTSKFGBIVBDWQB-OAHLLOKOSA-N 1 3 305.422 2.208 20 30 DEEDHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(OCC#N)cc1 ZINC000271910357 402885340 /nfs/dbraw/zinc/88/53/40/402885340.db2.gz XTSKFGBIVBDWQB-OAHLLOKOSA-N 1 3 305.422 2.208 20 30 DEEDHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280479506 403003804 /nfs/dbraw/zinc/00/38/04/403003804.db2.gz UTECBCVTWDWWRC-ZWKOTPCHSA-N 1 3 324.428 2.041 20 30 DEEDHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280479506 403003806 /nfs/dbraw/zinc/00/38/06/403003806.db2.gz UTECBCVTWDWWRC-ZWKOTPCHSA-N 1 3 324.428 2.041 20 30 DEEDHO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000356789213 404692003 /nfs/dbraw/zinc/69/20/03/404692003.db2.gz UGULULZOJKOIIC-YOEHRIQHSA-N 1 3 312.417 2.085 20 30 DEEDHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000356789213 404692005 /nfs/dbraw/zinc/69/20/05/404692005.db2.gz UGULULZOJKOIIC-YOEHRIQHSA-N 1 3 312.417 2.085 20 30 DEEDHO CN1CCCN(CCC[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353427811 404828694 /nfs/dbraw/zinc/82/86/94/404828694.db2.gz PFDOHIDAYIEEKE-IBGZPJMESA-N 1 3 312.461 2.163 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)C1CC[NH2+]CC1)C(C)C ZINC000417057955 405022479 /nfs/dbraw/zinc/02/24/79/405022479.db2.gz CUEHGTKPTUJJJB-QGZVFWFLSA-N 1 3 322.497 2.078 20 30 DEEDHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](N)CCCC#N ZINC000424149561 405023168 /nfs/dbraw/zinc/02/31/68/405023168.db2.gz WRIDPHAQTSUVDV-XHSDSOJGSA-N 1 3 308.470 2.024 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H]([NH2+]C)C1)C(C)C ZINC000417072231 405027384 /nfs/dbraw/zinc/02/73/84/405027384.db2.gz XAWQUCJVPLLTNU-SJORKVTESA-N 1 3 322.497 2.078 20 30 DEEDHO C=C(C)C(C)(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000424630514 405132785 /nfs/dbraw/zinc/13/27/85/405132785.db2.gz QIHQBYIQQCMDSC-UHFFFAOYSA-N 1 3 307.482 2.264 20 30 DEEDHO CCN1CCC([N@@H+]2CCCN(CCC(C)(C)C#N)CC2)CC1 ZINC000420972995 405417887 /nfs/dbraw/zinc/41/78/87/405417887.db2.gz BSTOUVWTPCDWQB-UHFFFAOYSA-N 1 3 306.498 2.418 20 30 DEEDHO CCN1CCC([N@H+]2CCCN(CCC(C)(C)C#N)CC2)CC1 ZINC000420972995 405417889 /nfs/dbraw/zinc/41/78/89/405417889.db2.gz BSTOUVWTPCDWQB-UHFFFAOYSA-N 1 3 306.498 2.418 20 30 DEEDHO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCC[C@H](N)C3)CC2)cc1 ZINC000423386636 405785415 /nfs/dbraw/zinc/78/54/15/405785415.db2.gz MDEHFBHGJKIMBS-PKOBYXMFSA-N 1 3 312.461 2.382 20 30 DEEDHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCSCc1ccccc1C#N ZINC000422984960 230305501 /nfs/dbraw/zinc/30/55/01/230305501.db2.gz BSZQHUOHLQVDNV-RRQGHBQHSA-N 1 3 319.474 2.133 20 30 DEEDHO C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CC[NH2+]C1 ZINC000422983199 230306165 /nfs/dbraw/zinc/30/61/65/230306165.db2.gz YWPDFHBLPSSLER-NUEKZKHPSA-N 1 3 316.424 2.254 20 30 DEEDHO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000648763045 424902272 /nfs/dbraw/zinc/90/22/72/424902272.db2.gz USVGMKFBKFWHFM-MSOLQXFVSA-N 1 3 304.434 2.450 20 30 DEEDHO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000651830452 425148915 /nfs/dbraw/zinc/14/89/15/425148915.db2.gz UGZQRUXDDYPBBO-QZTJIDSGSA-N 1 3 321.509 2.117 20 30 DEEDHO C=CCN1CCC(NC(=O)NCCC2CC[NH+](CC)CC2)CC1 ZINC000174776087 340395905 /nfs/dbraw/zinc/39/59/05/340395905.db2.gz WNSFPFZYSXRNGJ-UHFFFAOYSA-N 1 3 322.497 2.058 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001378456186 1152336858 /nfs/dbraw/zinc/33/68/58/1152336858.db2.gz WKZCYEXQAQLTSL-HDJSIYSDSA-N 1 3 301.862 2.096 20 30 DEEDHO C=C(Cl)CNC1(CNC(=O)CC[N@@H+](C)CC)CCCC1 ZINC001378712261 1152421126 /nfs/dbraw/zinc/42/11/26/1152421126.db2.gz DOCFOVWGPZMECQ-UHFFFAOYSA-N 1 3 301.862 2.099 20 30 DEEDHO C=C(Cl)CNC1(CNC(=O)CC[N@H+](C)CC)CCCC1 ZINC001378712261 1152421127 /nfs/dbraw/zinc/42/11/27/1152421127.db2.gz DOCFOVWGPZMECQ-UHFFFAOYSA-N 1 3 301.862 2.099 20 30 DEEDHO C[NH+]=C(NCCCN(C)Cc1ccccc1)NCc1ccco1 ZINC000264059200 526354160 /nfs/dbraw/zinc/35/41/60/526354160.db2.gz OWVYLTFJGRXMLT-UHFFFAOYSA-N 1 3 314.433 2.467 20 30 DEEDHO CCOCc1ccccc1CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000264073630 529063305 /nfs/dbraw/zinc/06/33/05/529063305.db2.gz DXSMYRWUBZIVHY-QGZVFWFLSA-N 1 3 318.465 2.112 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC1CC(c2ccccc2)C1 ZINC000264162718 529070446 /nfs/dbraw/zinc/07/04/46/529070446.db2.gz BKZQHPWUEARQQL-OFLPRAFFSA-N 1 3 300.450 2.321 20 30 DEEDHO C[C@@H](CC(C)(C)C#N)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000925652626 625524432 /nfs/dbraw/zinc/52/44/32/625524432.db2.gz GYDGTCCTJZSJLK-AWEZNQCLSA-N 1 3 304.438 2.440 20 30 DEEDHO C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001026572036 625531802 /nfs/dbraw/zinc/53/18/02/625531802.db2.gz ZJZZKRWNLTXYEH-JCYILVPMSA-N 1 3 307.482 2.452 20 30 DEEDHO C=CC[C@H]1CCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000890552605 622655557 /nfs/dbraw/zinc/65/55/57/622655557.db2.gz MRYGKXNPVSJJMM-SFHVURJKSA-N 1 3 319.493 2.360 20 30 DEEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000970319075 623400626 /nfs/dbraw/zinc/40/06/26/623400626.db2.gz RBKLFILCNGYYEQ-HOTGVXAUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000970319075 623400627 /nfs/dbraw/zinc/40/06/27/623400627.db2.gz RBKLFILCNGYYEQ-HOTGVXAUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001022585227 624761597 /nfs/dbraw/zinc/76/15/97/624761597.db2.gz LPFZXSFOSHZWSO-SOUVJXGZSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001022585227 624761601 /nfs/dbraw/zinc/76/16/01/624761601.db2.gz LPFZXSFOSHZWSO-SOUVJXGZSA-N 1 3 313.873 2.098 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001022806872 624937501 /nfs/dbraw/zinc/93/75/01/624937501.db2.gz COWGILAESLZFBS-QLFBSQMISA-N 1 3 313.873 2.239 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001022806872 624937503 /nfs/dbraw/zinc/93/75/03/624937503.db2.gz COWGILAESLZFBS-QLFBSQMISA-N 1 3 313.873 2.239 20 30 DEEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001024436421 625762854 /nfs/dbraw/zinc/76/28/54/625762854.db2.gz CVUBSWDMPQRPKY-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001024436421 625762857 /nfs/dbraw/zinc/76/28/57/625762857.db2.gz CVUBSWDMPQRPKY-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000999875933 634697932 /nfs/dbraw/zinc/69/79/32/634697932.db2.gz FEXLXJNNDNTXHM-NRXISQOPSA-N 1 3 313.873 2.192 20 30 DEEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000999875933 634697935 /nfs/dbraw/zinc/69/79/35/634697935.db2.gz FEXLXJNNDNTXHM-NRXISQOPSA-N 1 3 313.873 2.192 20 30 DEEDHO C=C(C)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCN2C)CC1 ZINC000997951658 634074129 /nfs/dbraw/zinc/07/41/29/634074129.db2.gz YNNNYQYAYOQNQS-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCN2C)CC1 ZINC000997951658 634074135 /nfs/dbraw/zinc/07/41/35/634074135.db2.gz YNNNYQYAYOQNQS-DLBZAZTESA-N 1 3 307.482 2.360 20 30 DEEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001027985569 635168976 /nfs/dbraw/zinc/16/89/76/635168976.db2.gz LDGQVPJTZAUAEP-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001027985569 635168977 /nfs/dbraw/zinc/16/89/77/635168977.db2.gz LDGQVPJTZAUAEP-IAGOWNOFSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCCN1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000981438170 635483236 /nfs/dbraw/zinc/48/32/36/635483236.db2.gz KGVMEFNZMRLUIE-IRXDYDNUSA-N 1 3 305.466 2.114 20 30 DEEDHO C=CCCN1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000981438170 635483239 /nfs/dbraw/zinc/48/32/39/635483239.db2.gz KGVMEFNZMRLUIE-IRXDYDNUSA-N 1 3 305.466 2.114 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000981768091 635637050 /nfs/dbraw/zinc/63/70/50/635637050.db2.gz DRZGVDHPHASEJD-UHFFFAOYSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC000981809224 635665501 /nfs/dbraw/zinc/66/55/01/635665501.db2.gz AFBOPTJQGGLQOM-KRWDZBQOSA-N 1 3 319.493 2.075 20 30 DEEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC000981809224 635665502 /nfs/dbraw/zinc/66/55/02/635665502.db2.gz AFBOPTJQGGLQOM-KRWDZBQOSA-N 1 3 319.493 2.075 20 30 DEEDHO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982301504 635956707 /nfs/dbraw/zinc/95/67/07/635956707.db2.gz QFVVMSJQGHRIBB-YTQUADARSA-N 1 3 321.509 2.319 20 30 DEEDHO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982301504 635956708 /nfs/dbraw/zinc/95/67/08/635956708.db2.gz QFVVMSJQGHRIBB-YTQUADARSA-N 1 3 321.509 2.319 20 30 DEEDHO C=CCN1CCC(NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001003941338 636090089 /nfs/dbraw/zinc/09/00/89/636090089.db2.gz YUDMMYPFYXTIIQ-QGZVFWFLSA-N 1 3 307.482 2.408 20 30 DEEDHO C=CCN1CCC(NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001003941338 636090091 /nfs/dbraw/zinc/09/00/91/636090091.db2.gz YUDMMYPFYXTIIQ-QGZVFWFLSA-N 1 3 307.482 2.408 20 30 DEEDHO C[NH+]=C(NCc1ccco1)NC[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000303409097 639421039 /nfs/dbraw/zinc/42/10/39/639421039.db2.gz UVOSYOFUNCQHGO-PBHICJAKSA-N 1 3 306.454 2.455 20 30 DEEDHO C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000764265313 640619723 /nfs/dbraw/zinc/61/97/23/640619723.db2.gz JLTUFJPKZRPKIC-HNNXBMFYSA-N 1 3 309.479 2.365 20 30 DEEDHO C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C(C)(C)C1 ZINC000940737358 648935450 /nfs/dbraw/zinc/93/54/50/648935450.db2.gz NXLDKYLNNDOCRG-JKSUJKDBSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C(C)(C)C1 ZINC000940737358 648935452 /nfs/dbraw/zinc/93/54/52/648935452.db2.gz NXLDKYLNNDOCRG-JKSUJKDBSA-N 1 3 307.482 2.262 20 30 DEEDHO C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC000940945257 648975926 /nfs/dbraw/zinc/97/59/26/648975926.db2.gz ZKIJFZMKNYWUGW-HNNXBMFYSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC000940945257 648975929 /nfs/dbraw/zinc/97/59/29/648975929.db2.gz ZKIJFZMKNYWUGW-HNNXBMFYSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](C)C1 ZINC000942555228 649246104 /nfs/dbraw/zinc/24/61/04/649246104.db2.gz GRZBPQHMOKXSHU-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](C)C1 ZINC000942555228 649246106 /nfs/dbraw/zinc/24/61/06/649246106.db2.gz GRZBPQHMOKXSHU-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO N#CCCCC[C@H](N)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000848414831 651457231 /nfs/dbraw/zinc/45/72/31/651457231.db2.gz OXVXRZIGNUDCAD-JCYILVPMSA-N 1 3 320.481 2.311 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)c1cccc(F)c1 ZINC000304749430 685259274 /nfs/dbraw/zinc/25/92/74/685259274.db2.gz HSHKESIADJCPEO-INIZCTEOSA-N 1 3 320.456 2.492 20 30 DEEDHO COCCN(C)CCCNC(=[NH2+])Nc1ccc(OC(C)C)cc1 ZINC000303878820 685237914 /nfs/dbraw/zinc/23/79/14/685237914.db2.gz GEBOQVOKIRUVJG-UHFFFAOYSA-N 1 3 322.453 2.169 20 30 DEEDHO C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001016613882 687664964 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DEEDHO C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040396977 691241897 /nfs/dbraw/zinc/24/18/97/691241897.db2.gz XLMSIGXEFNGWEQ-PKOBYXMFSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040396977 691241899 /nfs/dbraw/zinc/24/18/99/691241899.db2.gz XLMSIGXEFNGWEQ-PKOBYXMFSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001040835652 691291691 /nfs/dbraw/zinc/29/16/91/691291691.db2.gz MQNZPXIVLPMHPA-QGZVFWFLSA-N 1 3 321.509 2.463 20 30 DEEDHO C=CCN1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042297555 691560529 /nfs/dbraw/zinc/56/05/29/691560529.db2.gz QMBFOCHVOCYZQS-SJLPKXTDSA-N 1 3 319.493 2.216 20 30 DEEDHO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC001048820545 692704025 /nfs/dbraw/zinc/70/40/25/692704025.db2.gz KRFRDYIKGYOGKT-CALCHBBNSA-N 1 3 319.493 2.217 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC001048820545 692704026 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C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001402170968 1162273543 /nfs/dbraw/zinc/27/35/43/1162273543.db2.gz IWMBHQGJOXQYJI-ZBFHGGJFSA-N 1 3 315.889 2.153 20 30 DEEDHO C=C(Cl)CNC[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001407103653 1164977107 /nfs/dbraw/zinc/97/71/07/1164977107.db2.gz FTDXBOQEKWDQJU-LSDHHAIUSA-N 1 3 313.873 2.194 20 30 DEEDHO C=C(Cl)CNC[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001407103653 1164977123 /nfs/dbraw/zinc/97/71/23/1164977123.db2.gz FTDXBOQEKWDQJU-LSDHHAIUSA-N 1 3 313.873 2.194 20 30 DEEDHO C=C(Cl)CN[C@@H](CNC(=O)CC[NH+]1CCCCC1)C(C)C ZINC001422135444 1172331892 /nfs/dbraw/zinc/33/18/92/1172331892.db2.gz MUUNGUQLWFGQQJ-HNNXBMFYSA-N 1 3 315.889 2.345 20 30 DEEDHO C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)CN(C)CCC)CC1 ZINC001440535793 1181586120 /nfs/dbraw/zinc/58/61/20/1181586120.db2.gz CACIDHVGAWESSP-UHFFFAOYSA-N 1 3 315.889 2.442 20 30 DEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001441551867 1182055520 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C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[C@H]1C ZINC000947617375 783190745 /nfs/dbraw/zinc/19/07/45/783190745.db2.gz XXMFUGICZJWSHM-CVEARBPZSA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[C@H]1C ZINC000947617375 783190750 /nfs/dbraw/zinc/19/07/50/783190750.db2.gz XXMFUGICZJWSHM-CVEARBPZSA-N 1 3 307.482 2.406 20 30 DEEDHO C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105064213 778319806 /nfs/dbraw/zinc/31/98/06/778319806.db2.gz CTRTVOSIKFFMFJ-IAGOWNOFSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001100382998 778788504 /nfs/dbraw/zinc/78/85/04/778788504.db2.gz GXCYLFXICWPCEI-JCYILVPMSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001088326807 779960464 /nfs/dbraw/zinc/96/04/64/779960464.db2.gz YAYFWMIYGDBHNG-DLBZAZTESA-N 1 3 307.482 2.264 20 30 DEEDHO C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H](CC)N(C)C)CCC1 ZINC001105544263 780747354 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C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001008064468 785095713 /nfs/dbraw/zinc/09/57/13/785095713.db2.gz VQTIFEHAUCKIBP-ROUUACIJSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001008064468 785095724 /nfs/dbraw/zinc/09/57/24/785095724.db2.gz VQTIFEHAUCKIBP-ROUUACIJSA-N 1 3 319.493 2.408 20 30 DEEDHO C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001086558572 786231229 /nfs/dbraw/zinc/23/12/29/786231229.db2.gz BXKCPUYGVGSTGI-RBSFLKMASA-N 1 3 313.873 2.098 20 30 DEEDHO C=CCN1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132141214 787946612 /nfs/dbraw/zinc/94/66/12/787946612.db2.gz PRDBQICFLSYNDC-CVEARBPZSA-N 1 3 316.449 2.063 20 30 DEEDHO C=CC[N@H+]1C[C@@H](NC(=O)c2occc2CN(C)C)CC[C@H]1C ZINC001071776544 789914277 /nfs/dbraw/zinc/91/42/77/789914277.db2.gz VEUKKCVAGAPJJP-HIFRSBDPSA-N 1 3 305.422 2.110 20 30 DEEDHO C=CC[N@@H+]1C[C@@H](NC(=O)c2occc2CN(C)C)CC[C@H]1C ZINC001071776544 789914279 /nfs/dbraw/zinc/91/42/79/789914279.db2.gz VEUKKCVAGAPJJP-HIFRSBDPSA-N 1 3 305.422 2.110 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3CCC)C[C@]2(C)C1 ZINC001091715624 791740845 /nfs/dbraw/zinc/74/08/45/791740845.db2.gz CZAHPADFGQKURJ-AOIWGVFYSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3CCC)C[C@]2(C)C1 ZINC001091715624 791740847 /nfs/dbraw/zinc/74/08/47/791740847.db2.gz CZAHPADFGQKURJ-AOIWGVFYSA-N 1 3 319.493 2.217 20 30 DEEDHO C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001086942420 791856705 /nfs/dbraw/zinc/85/67/05/791856705.db2.gz QOBMXEGCTFJFSP-IRXDYDNUSA-N 1 3 319.493 2.360 20 30 DEEDHO C=CCCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)N(C)CC)[C@H](C)C1 ZINC001102101112 793504540 /nfs/dbraw/zinc/50/45/40/793504540.db2.gz NGUOGHIQBLMAKV-HZPDHXFCSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CCCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N(C)CC)[C@H](C)C1 ZINC001102101112 793504543 /nfs/dbraw/zinc/50/45/43/793504543.db2.gz NGUOGHIQBLMAKV-HZPDHXFCSA-N 1 3 309.498 2.367 20 30 DEEDHO C=CC[N@H+]1C[C@@H](CNC(=O)CN(C)CCCCCC)[C@H](C)C1 ZINC001102472088 793626523 /nfs/dbraw/zinc/62/65/23/793626523.db2.gz HMYWLFJRONSLNG-IAGOWNOFSA-N 1 3 309.498 2.369 20 30 DEEDHO C=CC[N@@H+]1C[C@@H](CNC(=O)CN(C)CCCCCC)[C@H](C)C1 ZINC001102472088 793626527 /nfs/dbraw/zinc/62/65/27/793626527.db2.gz HMYWLFJRONSLNG-IAGOWNOFSA-N 1 3 309.498 2.369 20 30 DEEDHO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001103407658 794078154 /nfs/dbraw/zinc/07/81/54/794078154.db2.gz NVWXETJRFUAGKL-BRWVUGGUSA-N 1 3 309.498 2.223 20 30 DEEDHO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001103407658 794078164 /nfs/dbraw/zinc/07/81/64/794078164.db2.gz NVWXETJRFUAGKL-BRWVUGGUSA-N 1 3 309.498 2.223 20 30 DEEDHO C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001203259363 795071837 /nfs/dbraw/zinc/07/18/37/795071837.db2.gz WMCVBRYXRUPHIA-HZPDHXFCSA-N 1 3 319.493 2.454 20 30 DEEDHO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001203259366 795071893 /nfs/dbraw/zinc/07/18/93/795071893.db2.gz WMCVBRYXRUPHIA-JKSUJKDBSA-N 1 3 319.493 2.454 20 30 DEEDHO C#CCC[NH2+]CCCCCCNC(=O)CN1CCC(C)(C)C1 ZINC001179592579 795140197 /nfs/dbraw/zinc/14/01/97/795140197.db2.gz IEOYHJDIUYOBOX-UHFFFAOYSA-N 1 3 307.482 2.008 20 30 DEEDHO C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001181754477 795532945 /nfs/dbraw/zinc/53/29/45/795532945.db2.gz AXUASBPJPHUNPK-SZVBFZGTSA-N 1 3 321.509 2.367 20 30 DEEDHO C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCN3C(C)C)C2)C1 ZINC001121102540 795590473 /nfs/dbraw/zinc/59/04/73/795590473.db2.gz IJINFZGKQPLGJV-RFSHTEQGSA-N 1 3 319.493 2.452 20 30 DEEDHO C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001121237737 795606757 /nfs/dbraw/zinc/60/67/57/795606757.db2.gz CDQTXKFSCQXCNJ-UHFFFAOYSA-N 1 3 319.493 2.454 20 30 DEEDHO C#CCC[NH2+]C1CC2(CC(NC(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001121791312 795687212 /nfs/dbraw/zinc/68/72/12/795687212.db2.gz LFXNMIFOLOOYFT-UHFFFAOYSA-N 1 3 319.493 2.005 20 30 DEEDHO C=CCCC[NH2+]C[C@]1(C)CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001182932731 795786026 /nfs/dbraw/zinc/78/60/26/795786026.db2.gz FSJLNUDJXRZHIF-SJLPKXTDSA-N 1 3 309.498 2.369 20 30 DEEDHO C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001185535431 796286821 /nfs/dbraw/zinc/28/68/21/796286821.db2.gz DRTQTNIOZHVDFZ-UKRRQHHQSA-N 1 3 315.889 2.155 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203028637 796515098 /nfs/dbraw/zinc/51/50/98/796515098.db2.gz OKNRGQRTYMZOST-JKSUJKDBSA-N 1 3 319.493 2.454 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001188085571 796625149 /nfs/dbraw/zinc/62/51/49/796625149.db2.gz PFRWYYLHYLPPAT-QGZVFWFLSA-N 1 3 301.434 2.128 20 30 DEEDHO C=C(C)C[N@H+]1CC=C(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001161219739 796693432 /nfs/dbraw/zinc/69/34/32/796693432.db2.gz NMGWJSWKVNDHSE-UHFFFAOYSA-N 1 3 319.493 2.433 20 30 DEEDHO C=C(C)C[N@@H+]1CC=C(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001161219739 796693439 /nfs/dbraw/zinc/69/34/39/796693439.db2.gz NMGWJSWKVNDHSE-UHFFFAOYSA-N 1 3 319.493 2.433 20 30 DEEDHO C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160360636 798679238 /nfs/dbraw/zinc/67/92/38/798679238.db2.gz TZJYQDSFRKWUJV-GOSISDBHSA-N 1 3 319.493 2.431 20 30 DEEDHO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160360636 798679241 /nfs/dbraw/zinc/67/92/41/798679241.db2.gz TZJYQDSFRKWUJV-GOSISDBHSA-N 1 3 319.493 2.431 20 30 DEEDHO C#CCN1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001161390846 798845545 /nfs/dbraw/zinc/84/55/45/798845545.db2.gz LVOZSHCULBLCQP-SFHVURJKSA-N 1 3 317.477 2.021 20 30 DEEDHO C#CCN1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161390846 798845547 /nfs/dbraw/zinc/84/55/47/798845547.db2.gz LVOZSHCULBLCQP-SFHVURJKSA-N 1 3 317.477 2.021 20 30 DEEDHO C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001205461552 800359604 /nfs/dbraw/zinc/35/96/04/800359604.db2.gz NDMJEBLIWHRUCG-QGZVFWFLSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCCC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001205490747 800363564 /nfs/dbraw/zinc/36/35/64/800363564.db2.gz WSDLPSZTJWGHLM-KRWDZBQOSA-N 1 3 309.498 2.367 20 30 DEEDHO CSc1nc(CN2CC[C@@H](C)[C@@H](C[NH3+])CC2)ccc1C#N ZINC001205627573 800389986 /nfs/dbraw/zinc/38/99/86/800389986.db2.gz QXQVFGPOIXQZAY-CHWSQXEVSA-N 1 3 304.463 2.482 20 30 DEEDHO C#C[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)C1CCOCC1 ZINC001206728675 800581235 /nfs/dbraw/zinc/58/12/35/800581235.db2.gz UHXQRDNBJLHTSX-XBMUEBEBSA-N 1 3 320.477 2.038 20 30 DEEDHO C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001208014482 800893738 /nfs/dbraw/zinc/89/37/38/800893738.db2.gz QRXJUPNUTBHXHK-DLBZAZTESA-N 1 3 307.482 2.406 20 30 DEEDHO C=CCC[C@@H](C)[NH+]1CCC(NC(=O)CN2CCC[C@H]2C)CC1 ZINC001229185604 801239316 /nfs/dbraw/zinc/23/93/16/801239316.db2.gz OYOBQFMSNUPJPK-HZPDHXFCSA-N 1 3 307.482 2.406 20 30 DEEDHO CC#CCN[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001210585629 801426815 /nfs/dbraw/zinc/42/68/15/801426815.db2.gz RNQUMCYGWSAQAD-MSOLQXFVSA-N 1 3 319.493 2.245 20 30 DEEDHO CC#CCN[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210585629 801426819 /nfs/dbraw/zinc/42/68/19/801426819.db2.gz RNQUMCYGWSAQAD-MSOLQXFVSA-N 1 3 319.493 2.245 20 30 DEEDHO CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001210585629 801426825 /nfs/dbraw/zinc/42/68/25/801426825.db2.gz RNQUMCYGWSAQAD-MSOLQXFVSA-N 1 3 319.493 2.245 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001211375839 801557085 /nfs/dbraw/zinc/55/70/85/801557085.db2.gz AWKSDPXNHVOWKK-ZACQAIPSSA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001211375839 801557089 /nfs/dbraw/zinc/55/70/89/801557089.db2.gz AWKSDPXNHVOWKK-ZACQAIPSSA-N 1 3 307.482 2.119 20 30 DEEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001226773517 803156233 /nfs/dbraw/zinc/15/62/33/803156233.db2.gz FLUZOGVSUYJVPD-KFWWJZLASA-N 1 3 313.873 2.096 20 30 DEEDHO CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N1CCCCCC1 ZINC001228932202 803432649 /nfs/dbraw/zinc/43/26/49/803432649.db2.gz JYTGPPRPESTJEO-KZNAEPCWSA-N 1 3 319.493 2.291 20 30 DEEDHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001501143061 1059325075 /nfs/dbraw/zinc/32/50/75/1059325075.db2.gz IPAAOSZSXVLKDV-ROUUACIJSA-N 1 3 321.509 2.369 20 30 DEEDHO C=CCN(C)CCN(CC)C(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001467728792 1059694819 /nfs/dbraw/zinc/69/48/19/1059694819.db2.gz QEWRLTSBGUYADK-ZACQAIPSSA-N 1 3 307.482 2.073 20 30 DEEDHO C=CCN(C)CCN(CC)C(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@H+]2C1 ZINC001467728792 1059694831 /nfs/dbraw/zinc/69/48/31/1059694831.db2.gz QEWRLTSBGUYADK-ZACQAIPSSA-N 1 3 307.482 2.073 20 30 DEEDHO C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001479295344 1061371407 /nfs/dbraw/zinc/37/14/07/1061371407.db2.gz OGGSMCQLEWDPEX-BBWFWOEESA-N 1 3 307.482 2.310 20 30 DEEDHO C=C(C)CN1C[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001506753044 1062364398 /nfs/dbraw/zinc/36/43/98/1062364398.db2.gz MCLCOSDKBKMYAK-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001480257849 1062543513 /nfs/dbraw/zinc/54/35/13/1062543513.db2.gz OCAAQKOLYPHYEX-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001480257849 1062543537 /nfs/dbraw/zinc/54/35/37/1062543537.db2.gz OCAAQKOLYPHYEX-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO CC#CCN[C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001507315590 1063083895 /nfs/dbraw/zinc/08/38/95/1063083895.db2.gz AXTFVKSDGNXQGX-SJORKVTESA-N 1 3 319.493 2.101 20 30 DEEDHO C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001507408509 1063243566 /nfs/dbraw/zinc/24/35/66/1063243566.db2.gz GQVGSKVOWOZAGX-JKSUJKDBSA-N 1 3 307.482 2.311 20 30 DEEDHO C#CCC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C(C)(C)C ZINC001507938292 1063474326 /nfs/dbraw/zinc/47/43/26/1063474326.db2.gz IIBBOYHZKPLWCZ-MRXNPFEDSA-N 1 3 321.509 2.395 20 30 DEEDHO C=C(C)C[NH+]1CCC([C@H](C)NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001508081625 1063541293 /nfs/dbraw/zinc/54/12/93/1063541293.db2.gz PHZBXSMVOPFUQI-HOTGVXAUSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001567742939 1064395745 /nfs/dbraw/zinc/39/57/45/1064395745.db2.gz VODWPWJTGKKJNJ-IRXDYDNUSA-N 1 3 309.498 2.462 20 30 DEEDHO C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001567742939 1064395755 /nfs/dbraw/zinc/39/57/55/1064395755.db2.gz VODWPWJTGKKJNJ-IRXDYDNUSA-N 1 3 309.498 2.462 20 30 DEEDHO C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001569477907 1065532536 /nfs/dbraw/zinc/53/25/36/1065532536.db2.gz OITPLRWEIRNQSO-GOSISDBHSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001569477907 1065532546 /nfs/dbraw/zinc/53/25/46/1065532546.db2.gz OITPLRWEIRNQSO-GOSISDBHSA-N 1 3 319.493 2.361 20 30 DEEDHO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001570048417 1065901826 /nfs/dbraw/zinc/90/18/26/1065901826.db2.gz ITBVZQRZYUAOTF-DSPLQEQRSA-N 1 3 307.482 2.310 20 30 DEEDHO C=CCCC[NH2+]C1(C)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001570374197 1066037787 /nfs/dbraw/zinc/03/77/87/1066037787.db2.gz LAMMMHIPJULKPA-UHFFFAOYSA-N 1 3 307.482 2.408 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CC(CC)CC)CC1 ZINC001498454307 1066716004 /nfs/dbraw/zinc/71/60/04/1066716004.db2.gz BKHCKJWJDWWANE-INIZCTEOSA-N 1 3 321.509 2.204 20 30 DEEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@H+](C)CC(CC)CC)CC1 ZINC001498454307 1066716015 /nfs/dbraw/zinc/71/60/15/1066716015.db2.gz BKHCKJWJDWWANE-INIZCTEOSA-N 1 3 321.509 2.204 20 30 DEEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1CC ZINC001483615254 1078627657 /nfs/dbraw/zinc/62/76/57/1078627657.db2.gz LLJQKDWWNXIREW-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1CC ZINC001483615252 1078627677 /nfs/dbraw/zinc/62/76/77/1078627677.db2.gz LLJQKDWWNXIREW-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN(C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001570710070 1068085337 /nfs/dbraw/zinc/08/53/37/1068085337.db2.gz ASXDWQVIIAAVQX-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCN(C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001570710070 1068085351 /nfs/dbraw/zinc/08/53/51/1068085351.db2.gz ASXDWQVIIAAVQX-JKSUJKDBSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(Cl)CNCCC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001571280472 1068209637 /nfs/dbraw/zinc/20/96/37/1068209637.db2.gz JWXSBTPLOOGUPU-CQSZACIVSA-N 1 3 313.873 2.242 20 30 DEEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CC1(C)C ZINC001571565295 1068424027 /nfs/dbraw/zinc/42/40/27/1068424027.db2.gz WBWLMFQAZKSMNE-IAGOWNOFSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCN(C(=O)CC[C@@H]([NH3+])c1ccccc1)C1CCN(C)CC1 ZINC001574583098 1069240690 /nfs/dbraw/zinc/24/06/90/1069240690.db2.gz DVBZHMQYQBUDTI-GOSISDBHSA-N 1 3 313.445 2.023 20 30 DEEDHO C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001565852483 1075197090 /nfs/dbraw/zinc/19/70/90/1075197090.db2.gz MFJWENRLRCOYCC-ZACQAIPSSA-N 1 3 307.482 2.311 20 30 DEEDHO C=C(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001567167896 1075451172 /nfs/dbraw/zinc/45/11/72/1075451172.db2.gz RIOARYLMMHBZTL-HZPDHXFCSA-N 1 3 307.482 2.454 20 30 DEEDHO CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001484574594 1079667261 /nfs/dbraw/zinc/66/72/61/1079667261.db2.gz GRBIGOHHIAHKPG-XSLAGTTESA-N 1 3 319.493 2.147 20 30 DEEDHO C=CC[NH2+]C1(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CCC1 ZINC001484653090 1079709503 /nfs/dbraw/zinc/70/95/03/1079709503.db2.gz MBHAFQFJBGULDE-QGZVFWFLSA-N 1 3 311.445 2.013 20 30 DEEDHO C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001481487615 1079945081 /nfs/dbraw/zinc/94/50/81/1079945081.db2.gz GEQYDCDKTRRBPF-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001481487615 1079945083 /nfs/dbraw/zinc/94/50/83/1079945083.db2.gz GEQYDCDKTRRBPF-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001481487940 1079945803 /nfs/dbraw/zinc/94/58/03/1079945803.db2.gz MDBHXCSWKZDPJR-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001481487940 1079945809 /nfs/dbraw/zinc/94/58/09/1079945809.db2.gz MDBHXCSWKZDPJR-MRXNPFEDSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001485506831 1080268279 /nfs/dbraw/zinc/26/82/79/1080268279.db2.gz QXYYWFWJBAKKGK-WBVHZDCISA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001661977884 1080551117 /nfs/dbraw/zinc/55/11/17/1080551117.db2.gz PUKGSHGSCZKSEE-ROUUACIJSA-N 1 3 319.493 2.197 20 30 DEEDHO C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001661977884 1080551127 /nfs/dbraw/zinc/55/11/27/1080551127.db2.gz PUKGSHGSCZKSEE-ROUUACIJSA-N 1 3 319.493 2.197 20 30 DEEDHO C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001661977883 1080551610 /nfs/dbraw/zinc/55/16/10/1080551610.db2.gz PUKGSHGSCZKSEE-QZTJIDSGSA-N 1 3 319.493 2.197 20 30 DEEDHO C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001661977883 1080551619 /nfs/dbraw/zinc/55/16/19/1080551619.db2.gz PUKGSHGSCZKSEE-QZTJIDSGSA-N 1 3 319.493 2.197 20 30 DEEDHO C#CCC[NH+]1CCC(CCNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001666389563 1081149779 /nfs/dbraw/zinc/14/97/79/1081149779.db2.gz JSPGKOSIKYWZJY-GOSISDBHSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001666620921 1081167510 /nfs/dbraw/zinc/16/75/10/1081167510.db2.gz UZGCHOZGOYBGIZ-WMLDXEAASA-N 1 3 313.461 2.117 20 30 DEEDHO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001666620919 1081167572 /nfs/dbraw/zinc/16/75/72/1081167572.db2.gz UZGCHOZGOYBGIZ-PBHICJAKSA-N 1 3 313.461 2.117 20 30 DEEDHO C#CCN1CC[C@]2(C1)CCCCN(C(=O)CC[N@@H+](C)CCC)C2 ZINC001671598192 1081525333 /nfs/dbraw/zinc/52/53/33/1081525333.db2.gz HQYRRPPPQPJSCJ-IBGZPJMESA-N 1 3 319.493 2.056 20 30 DEEDHO C#CCN1CC[C@]2(C1)CCCCN(C(=O)CC[N@H+](C)CCC)C2 ZINC001671598192 1081525337 /nfs/dbraw/zinc/52/53/37/1081525337.db2.gz HQYRRPPPQPJSCJ-IBGZPJMESA-N 1 3 319.493 2.056 20 30 DEEDHO C=CCN1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001276633783 1083525144 /nfs/dbraw/zinc/52/51/44/1083525144.db2.gz OOATVFZOIFKOMY-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001277702245 1084102860 /nfs/dbraw/zinc/10/28/60/1084102860.db2.gz JMTQYVPVSIJCAV-QZTJIDSGSA-N 1 3 319.493 2.099 20 30 DEEDHO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCNC[C@]3(CCCC(=O)N3)C2)CC1 ZINC001235174313 1084335091 /nfs/dbraw/zinc/33/50/91/1084335091.db2.gz GVLOMVMIEYHWTD-IEBWSBKVSA-N 1 3 317.477 2.233 20 30 DEEDHO C=C(C)[C@@H]1CC=C(C[N@H+]2CCNC[C@]3(CCCC(=O)N3)C2)CC1 ZINC001235174313 1084335102 /nfs/dbraw/zinc/33/51/02/1084335102.db2.gz GVLOMVMIEYHWTD-IEBWSBKVSA-N 1 3 317.477 2.233 20 30 DEEDHO C=CCC[N@H+]1CC=C(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001486521046 1085404838 /nfs/dbraw/zinc/40/48/38/1085404838.db2.gz NIDSLNNUIXLIOZ-HOTGVXAUSA-N 1 3 305.466 2.184 20 30 DEEDHO C=CCC[N@@H+]1CC=C(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001486521046 1085404844 /nfs/dbraw/zinc/40/48/44/1085404844.db2.gz NIDSLNNUIXLIOZ-HOTGVXAUSA-N 1 3 305.466 2.184 20 30 DEEDHO C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961227065 1085645267 /nfs/dbraw/zinc/64/52/67/1085645267.db2.gz CAZGWHGVPANMFV-JKSUJKDBSA-N 1 3 316.449 2.089 20 30 DEEDHO C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961227065 1085645274 /nfs/dbraw/zinc/64/52/74/1085645274.db2.gz CAZGWHGVPANMFV-JKSUJKDBSA-N 1 3 316.449 2.089 20 30 DEEDHO C#CCC[NH+]1CCC2(CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC000957605892 1088453196 /nfs/dbraw/zinc/45/31/96/1088453196.db2.gz OLCORDRXPXTYAO-KRWDZBQOSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CCN1CCC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948833190 1091962299 /nfs/dbraw/zinc/96/22/99/1091962299.db2.gz LSOYAFHCVIPALK-SFHVURJKSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC000948886222 1091981724 /nfs/dbraw/zinc/98/17/24/1091981724.db2.gz KOIRDUSPXGSVQZ-SFHVURJKSA-N 1 3 319.493 2.055 20 30 DEEDHO CC#CC[N@H+]1CCC[C@H](N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC000948886222 1091981730 /nfs/dbraw/zinc/98/17/30/1091981730.db2.gz KOIRDUSPXGSVQZ-SFHVURJKSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CC[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)CC(C)(C)C1 ZINC001489342566 1093030403 /nfs/dbraw/zinc/03/04/03/1093030403.db2.gz QHCZEOSRUCCUOV-HNNXBMFYSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CC[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)CC(C)(C)C1 ZINC001489342566 1093030411 /nfs/dbraw/zinc/03/04/11/1093030411.db2.gz QHCZEOSRUCCUOV-HNNXBMFYSA-N 1 3 307.482 2.264 20 30 DEEDHO C=CCC[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001490664367 1093473227 /nfs/dbraw/zinc/47/32/27/1093473227.db2.gz IKJMJRDQIMMNHH-INIZCTEOSA-N 1 3 307.482 2.311 20 30 DEEDHO C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001490765680 1093518637 /nfs/dbraw/zinc/51/86/37/1093518637.db2.gz GZDRLCGMUBPEBC-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001490765680 1093518644 /nfs/dbraw/zinc/51/86/44/1093518644.db2.gz GZDRLCGMUBPEBC-INIZCTEOSA-N 1 3 307.482 2.217 20 30 DEEDHO CC#CCN1CCC2(C[C@@H](C)N(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001316667860 1140253440 /nfs/dbraw/zinc/25/34/40/1140253440.db2.gz ARCGBBOMDIWNOW-QGZVFWFLSA-N 1 3 319.493 2.055 20 30 DEEDHO C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001491759272 1140300081 /nfs/dbraw/zinc/30/00/81/1140300081.db2.gz TYFMZFVXCAKEEG-SJORKVTESA-N 1 3 307.482 2.264 20 30 DEEDHO C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CCN1 ZINC001246360226 1140887902 /nfs/dbraw/zinc/88/79/02/1140887902.db2.gz GOIWLUTUEWYBER-BEFAXECRSA-N 1 3 312.461 2.253 20 30 DEEDHO CC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001322347740 1141536417 /nfs/dbraw/zinc/53/64/17/1141536417.db2.gz VJISFAPZBRPXIR-DLBZAZTESA-N 1 3 319.493 2.149 20 30 DEEDHO C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001278582917 1142240620 /nfs/dbraw/zinc/24/06/20/1142240620.db2.gz RVZJHNMDSVWCMY-WMZOPIPTSA-N 1 3 307.482 2.265 20 30 DEEDHO C#CCC[NH+]1CCC(NC[C@H](O)c2cccc(Cl)c2)CC1 ZINC001336784820 1142569552 /nfs/dbraw/zinc/56/95/52/1142569552.db2.gz ICBSCLUIKSATQJ-KRWDZBQOSA-N 1 3 306.837 2.451 20 30 DEEDHO CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001266068942 1144802477 /nfs/dbraw/zinc/80/24/77/1144802477.db2.gz RWLSBINIAIYKME-HOTGVXAUSA-N 1 3 307.482 2.005 20 30 DEEDHO C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001279410524 1144822124 /nfs/dbraw/zinc/82/21/24/1144822124.db2.gz ZIAUOTCASMFMJZ-ZJPYXAASSA-N 1 3 321.509 2.318 20 30 DEEDHO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001279410524 1144822125 /nfs/dbraw/zinc/82/21/25/1144822125.db2.gz ZIAUOTCASMFMJZ-ZJPYXAASSA-N 1 3 321.509 2.318 20 30 DEEDHO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](F)CN(CC)CC ZINC001282667254 1145119588 /nfs/dbraw/zinc/11/95/88/1145119588.db2.gz PHOOMLPDRXMQJM-CVEARBPZSA-N 1 3 313.461 2.213 20 30 DEEDHO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](F)CN(CC)CC ZINC001282667254 1145119599 /nfs/dbraw/zinc/11/95/99/1145119599.db2.gz PHOOMLPDRXMQJM-CVEARBPZSA-N 1 3 313.461 2.213 20 30 DEEDHO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001282959588 1145214320 /nfs/dbraw/zinc/21/43/20/1145214320.db2.gz VOFTVHOBWCIRJD-BBWFWOEESA-N 1 3 307.482 2.119 20 30 DEEDHO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001282959588 1145214325 /nfs/dbraw/zinc/21/43/25/1145214325.db2.gz VOFTVHOBWCIRJD-BBWFWOEESA-N 1 3 307.482 2.119 20 30 DEEDHO CC#CCN(C)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001491947870 1147014053 /nfs/dbraw/zinc/01/40/53/1147014053.db2.gz YMFLMAQZWPKEAC-DLBZAZTESA-N 1 3 307.482 2.053 20 30 DEEDHO C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001317153683 1147667378 /nfs/dbraw/zinc/66/73/78/1147667378.db2.gz WWZJORJMHDQASO-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=C(C)CN(CCNC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001317559406 1147725408 /nfs/dbraw/zinc/72/54/08/1147725408.db2.gz XDZFJZYVUGXYQA-UHFFFAOYSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCC[N@@H+](CCCNC(=O)[C@H]1CCCCN1C(C)C)C(C)C ZINC001317704550 1147745874 /nfs/dbraw/zinc/74/58/74/1147745874.db2.gz FBWGLUJDDOIWCO-GOSISDBHSA-N 1 3 321.509 2.489 20 30 DEEDHO C#CCC[N@H+](CCCNC(=O)[C@H]1CCCCN1C(C)C)C(C)C ZINC001317704550 1147745876 /nfs/dbraw/zinc/74/58/76/1147745876.db2.gz FBWGLUJDDOIWCO-GOSISDBHSA-N 1 3 321.509 2.489 20 30 DEEDHO C#CCN1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001328254742 1148755065 /nfs/dbraw/zinc/75/50/65/1148755065.db2.gz GACBPTHCUNBZSX-JKSUJKDBSA-N 1 3 319.493 2.242 20 30 DEEDHO C#CCN1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001328254742 1148755071 /nfs/dbraw/zinc/75/50/71/1148755071.db2.gz GACBPTHCUNBZSX-JKSUJKDBSA-N 1 3 319.493 2.242 20 30 DEEDHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000442713329 529774560 /nfs/dbraw/zinc/77/45/60/529774560.db2.gz ISVBNYVSLXWVOP-RTBURBONSA-N 1 3 312.461 2.216 20 30 DEEDHO C=CCN1CCC(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000172185652 198054320 /nfs/dbraw/zinc/05/43/20/198054320.db2.gz SPDSZSOTAZCSNT-INIZCTEOSA-N 1 3 324.513 2.302 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000417057734 540164771 /nfs/dbraw/zinc/16/47/71/540164771.db2.gz CRUJRDFOQBPFGR-YESZJQIVSA-N 1 3 322.497 2.254 20 30 DEEDHO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCC[C@@H]3CN)C2)c(F)c1 ZINC000581720264 357237175 /nfs/dbraw/zinc/23/71/75/357237175.db2.gz BXYPZRAFULQTJB-VYDXJSESSA-N 1 3 316.424 2.383 20 30 DEEDHO N#Cc1ccc(N2CCC[C@H](N[C@H]3CCC[C@@H]3C[NH3+])C2)c(F)c1 ZINC000581720264 357237179 /nfs/dbraw/zinc/23/71/79/357237179.db2.gz BXYPZRAFULQTJB-VYDXJSESSA-N 1 3 316.424 2.383 20 30 DEEDHO N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CCCCN3)CC2)cc1 ZINC000591577687 357737879 /nfs/dbraw/zinc/73/78/79/357737879.db2.gz AFBZZDQYCRSOEY-LJQANCHMSA-N 1 3 312.461 2.254 20 30 DEEDHO N#Cc1ccc(CN2CCC(NC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000591577687 357737884 /nfs/dbraw/zinc/73/78/84/357737884.db2.gz AFBZZDQYCRSOEY-LJQANCHMSA-N 1 3 312.461 2.254 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000660598504 540310152 /nfs/dbraw/zinc/31/01/52/540310152.db2.gz ZSXVPSZHYYAKPT-INIZCTEOSA-N 1 3 322.497 2.199 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000660598504 540310157 /nfs/dbraw/zinc/31/01/57/540310157.db2.gz ZSXVPSZHYYAKPT-INIZCTEOSA-N 1 3 322.497 2.199 20 30 DEEDHO C=CCc1cc(CN[C@@H]2CC23CC[NH2+]CC3)cc(OC)c1O ZINC000666952187 540369027 /nfs/dbraw/zinc/36/90/27/540369027.db2.gz JNSBRUZYLMMEOG-MRXNPFEDSA-N 1 3 302.418 2.361 20 30 DEEDHO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000442781324 238075946 /nfs/dbraw/zinc/07/59/46/238075946.db2.gz ILPFNJUDWVXIMA-QZTJIDSGSA-N 1 3 313.445 2.425 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000106331679 194198483 /nfs/dbraw/zinc/19/84/83/194198483.db2.gz PWKCHUOJTZUVMT-MRXNPFEDSA-N 1 3 322.497 2.201 20 30 DEEDHO N#Cc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000268961694 207127035 /nfs/dbraw/zinc/12/70/35/207127035.db2.gz JAOBETMVMGCYGV-RBUKOAKNSA-N 1 3 313.445 2.416 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000246396699 402528922 /nfs/dbraw/zinc/52/89/22/402528922.db2.gz SWOCHVZHAQPPGB-NVXWUHKLSA-N 1 3 322.497 2.009 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000246396699 402528925 /nfs/dbraw/zinc/52/89/25/402528925.db2.gz SWOCHVZHAQPPGB-NVXWUHKLSA-N 1 3 322.497 2.009 20 30 DEEDHO C[NH+]1CCC(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279664342 402960710 /nfs/dbraw/zinc/96/07/10/402960710.db2.gz ZBLKZXPCMQGULO-SFHVURJKSA-N 1 3 324.428 2.089 20 30 DEEDHO CN1CC[NH+](CC2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC000369511781 404120827 /nfs/dbraw/zinc/12/08/27/404120827.db2.gz PFDYGWWWOSRTJD-UHFFFAOYSA-N 1 3 312.461 2.018 20 30 DEEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C)C[NH+](CC)CC)CC1 ZINC000358303085 404760128 /nfs/dbraw/zinc/76/01/28/404760128.db2.gz VEVCWTSDKRRECV-OAHLLOKOSA-N 1 3 310.486 2.056 20 30 DEEDHO CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353241165 404779682 /nfs/dbraw/zinc/77/96/82/404779682.db2.gz LBFXGWRLSITUIG-SJLPKXTDSA-N 1 3 301.434 2.492 20 30 DEEDHO C=CC(C)(C)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000454462491 405348908 /nfs/dbraw/zinc/34/89/08/405348908.db2.gz TUJUZZVLGJYYMF-UHFFFAOYSA-N 1 3 322.497 2.056 20 30 DEEDHO C=CCCOCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423012967 405694893 /nfs/dbraw/zinc/69/48/93/405694893.db2.gz LRJVHEHANJHQKT-WMZOPIPTSA-N 1 3 302.418 2.425 20 30 DEEDHO CC(C)C[C@@H](C[NH3+])NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423264003 405741812 /nfs/dbraw/zinc/74/18/12/405741812.db2.gz PKEKAZBPEXJWPT-IBGZPJMESA-N 1 3 314.477 2.486 20 30 DEEDHO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000527163116 406590378 /nfs/dbraw/zinc/59/03/78/406590378.db2.gz RNLMMDHRFGUQER-MSOLQXFVSA-N 1 3 324.428 2.087 20 30 DEEDHO CC(C)[N@H+]1CC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000527163116 406590380 /nfs/dbraw/zinc/59/03/80/406590380.db2.gz RNLMMDHRFGUQER-MSOLQXFVSA-N 1 3 324.428 2.087 20 30 DEEDHO CC#CC[C@H](CO)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000641769182 406888228 /nfs/dbraw/zinc/88/82/28/406888228.db2.gz PFZDIRSOFJVNFZ-GOSISDBHSA-N 1 3 316.445 2.025 20 30 DEEDHO C[C@H](N)C[C@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000423055214 230331637 /nfs/dbraw/zinc/33/16/37/230331637.db2.gz CXDYJBDBHBHQMD-VRLRAXNCSA-N 1 3 302.422 2.359 20 30 DEEDHO C#CCN1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001328265899 1148758949 /nfs/dbraw/zinc/75/89/49/1148758949.db2.gz FGELPTQUAYEKCY-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO C=CC[C@]1(C(=O)N[C@H]2CCN(C3CCCCC3)C2)CCC[NH2+]1 ZINC000662877269 425754796 /nfs/dbraw/zinc/75/47/96/425754796.db2.gz HMXDOKYDBFUOPS-MAUKXSAKSA-N 1 3 305.466 2.208 20 30 DEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@]1(CC)CC[NH2+]C1)C(C)C ZINC000370846159 277852403 /nfs/dbraw/zinc/85/24/03/277852403.db2.gz KMRIDLZAQMJDGR-SJLPKXTDSA-N 1 3 307.482 2.191 20 30 DEEDHO C=CCN(CC=C)[C@@H](CNC(=O)C1([NH3+])CCCCC1)C(C)C ZINC000236654830 332201250 /nfs/dbraw/zinc/20/12/50/332201250.db2.gz WBXXIJVBVTUZCP-INIZCTEOSA-N 1 3 307.482 2.463 20 30 DEEDHO C=CCO[C@@H]1CCN(C/C=C/C[N@@H+]2CC[C@@H](OCC=C)C2)C1 ZINC001329878029 1149008793 /nfs/dbraw/zinc/00/87/93/1149008793.db2.gz KNDMTZLLEIEQSD-PJHKVULZSA-N 1 3 306.450 2.096 20 30 DEEDHO C=CCO[C@@H]1CCN(C/C=C/C[N@H+]2CC[C@@H](OCC=C)C2)C1 ZINC001329878029 1149008801 /nfs/dbraw/zinc/00/88/01/1149008801.db2.gz KNDMTZLLEIEQSD-PJHKVULZSA-N 1 3 306.450 2.096 20 30 DEEDHO C=C(C)CN1C[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001330260239 1149081881 /nfs/dbraw/zinc/08/18/81/1149081881.db2.gz BFUAGPXYESTJAO-INIZCTEOSA-N 1 3 307.482 2.265 20 30 DEEDHO C=CCN1CC[C@H](N2CCC(CCC[NH+]3CCCC3)CC2)C1=O ZINC000337171110 526505297 /nfs/dbraw/zinc/50/52/97/526505297.db2.gz DLFIGWPUPGTCQK-SFHVURJKSA-N 1 3 319.493 2.361 20 30 DEEDHO CC(C)[NH+]1CCC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280582352 529000244 /nfs/dbraw/zinc/00/02/44/529000244.db2.gz DGLYWVZDFWZQEC-KRWDZBQOSA-N 1 3 324.428 2.230 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1coc2ccccc12 ZINC000262382650 529074683 /nfs/dbraw/zinc/07/46/83/529074683.db2.gz KRDJAZQUJYJIFD-CQSZACIVSA-N 1 3 300.406 2.321 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1c(Cl)cccc1OC ZINC000191151867 529100818 /nfs/dbraw/zinc/10/08/18/529100818.db2.gz YQVKFVDZCGWCFD-LBPRGKRZSA-N 1 3 324.856 2.237 20 30 DEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(CCOC)CCCCC1 ZINC000187056659 625415241 /nfs/dbraw/zinc/41/52/41/625415241.db2.gz LRYXIURUEGZPPL-INIZCTEOSA-N 1 3 324.513 2.362 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CCC)CC1 ZINC000969156579 622597061 /nfs/dbraw/zinc/59/70/61/622597061.db2.gz XAAZOBJDFFQHHH-SFHVURJKSA-N 1 3 319.493 2.102 20 30 DEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CCC)CC1 ZINC000969156579 622597064 /nfs/dbraw/zinc/59/70/64/622597064.db2.gz XAAZOBJDFFQHHH-SFHVURJKSA-N 1 3 319.493 2.102 20 30 DEEDHO C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCN2CCC)C1 ZINC000969793396 622924497 /nfs/dbraw/zinc/92/44/97/622924497.db2.gz OHNZWANUHQKTGX-NVXWUHKLSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001020587548 622926219 /nfs/dbraw/zinc/92/62/19/622926219.db2.gz KCCDWSHQSHKNGI-ZQIUZPCESA-N 1 3 311.445 2.012 20 30 DEEDHO C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000971681707 624503455 /nfs/dbraw/zinc/50/34/55/624503455.db2.gz FSGLSUVSJWPXBM-IRXDYDNUSA-N 1 3 305.466 2.112 20 30 DEEDHO C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000971681707 624503457 /nfs/dbraw/zinc/50/34/57/624503457.db2.gz FSGLSUVSJWPXBM-IRXDYDNUSA-N 1 3 305.466 2.112 20 30 DEEDHO C[NH+]=C(NCc1ccoc1)NC[C@]1(N(C)C)CCC[C@H](C)C1 ZINC000176322169 624711668 /nfs/dbraw/zinc/71/16/68/624711668.db2.gz KHFJYXKJXGNFGJ-YOEHRIQHSA-N 1 3 306.454 2.455 20 30 DEEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001024468096 625794712 /nfs/dbraw/zinc/79/47/12/625794712.db2.gz IFPGOLUJEMSDPP-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001024468096 625794717 /nfs/dbraw/zinc/79/47/17/625794717.db2.gz IFPGOLUJEMSDPP-SJORKVTESA-N 1 3 307.482 2.408 20 30 DEEDHO C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC1(C)C ZINC000995820696 633127823 /nfs/dbraw/zinc/12/78/23/633127823.db2.gz HHCHPNNNUWXYAR-OAHLLOKOSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCN2CCC)CC1(C)C ZINC000995870571 633132047 /nfs/dbraw/zinc/13/20/47/633132047.db2.gz JCJBMSSRQJJZIG-HOTGVXAUSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)CN1C[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974650266 633207684 /nfs/dbraw/zinc/20/76/84/633207684.db2.gz IIDVWMLYYLKXBX-IRXDYDNUSA-N 1 3 321.509 2.367 20 30 DEEDHO C=C(C)CN1C[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974650266 633207687 /nfs/dbraw/zinc/20/76/87/633207687.db2.gz IIDVWMLYYLKXBX-IRXDYDNUSA-N 1 3 321.509 2.367 20 30 DEEDHO C=C(C)CN1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000974729352 633269853 /nfs/dbraw/zinc/26/98/53/633269853.db2.gz LOIWTQOMKUJMAK-MRXNPFEDSA-N 1 3 319.493 2.265 20 30 DEEDHO C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC000997362832 633715714 /nfs/dbraw/zinc/71/57/14/633715714.db2.gz CQCMHBPZFIJCHY-HNNXBMFYSA-N 1 3 313.873 2.194 20 30 DEEDHO C=C(C)CN1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000977216771 633881768 /nfs/dbraw/zinc/88/17/68/633881768.db2.gz OKHXOURKMPBZNJ-MRXNPFEDSA-N 1 3 307.482 2.121 20 30 DEEDHO C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC000997612371 633899428 /nfs/dbraw/zinc/89/94/28/633899428.db2.gz GHLOSZJHPIVIET-RDJZCZTQSA-N 1 3 307.482 2.264 20 30 DEEDHO C#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000998007492 634108088 /nfs/dbraw/zinc/10/80/88/634108088.db2.gz OOEDOPCNJPLHKZ-FGTMMUONSA-N 1 3 319.493 2.053 20 30 DEEDHO C#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000998007492 634108092 /nfs/dbraw/zinc/10/80/92/634108092.db2.gz OOEDOPCNJPLHKZ-FGTMMUONSA-N 1 3 319.493 2.053 20 30 DEEDHO C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000981269143 635416884 /nfs/dbraw/zinc/41/68/84/635416884.db2.gz UHPKFBVAWDHFIX-HOTGVXAUSA-N 1 3 307.482 2.454 20 30 DEEDHO C=CCC[NH+]1CCC(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001001391741 635487246 /nfs/dbraw/zinc/48/72/46/635487246.db2.gz HIBJVGZYXZVVCF-QGZVFWFLSA-N 1 3 307.482 2.264 20 30 DEEDHO C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC000982163853 635890189 /nfs/dbraw/zinc/89/01/89/635890189.db2.gz ZQRQLMRBMRVTRT-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC000982163853 635890193 /nfs/dbraw/zinc/89/01/93/635890193.db2.gz ZQRQLMRBMRVTRT-KRWDZBQOSA-N 1 3 319.493 2.361 20 30 DEEDHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccc(C#N)s1)C2 ZINC000922386580 636151864 /nfs/dbraw/zinc/15/18/64/636151864.db2.gz GKIXFEJXKFYEBU-VQHPVUNQSA-N 1 3 319.474 2.189 20 30 DEEDHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccc(C#N)s1)C2 ZINC000922386580 636151865 /nfs/dbraw/zinc/15/18/65/636151865.db2.gz GKIXFEJXKFYEBU-VQHPVUNQSA-N 1 3 319.474 2.189 20 30 DEEDHO C=CCN1CCC(N(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001006283179 637321709 /nfs/dbraw/zinc/32/17/09/637321709.db2.gz JSDOYWVYOAMCKW-DOTOQJQBSA-N 1 3 307.482 2.216 20 30 DEEDHO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000989825578 641248782 /nfs/dbraw/zinc/24/87/82/641248782.db2.gz HRXBSGFHDXJMAX-PBHICJAKSA-N 1 3 301.434 2.127 20 30 DEEDHO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000901233436 642601351 /nfs/dbraw/zinc/60/13/51/642601351.db2.gz LYKUPKIBLFSJAT-IAGOWNOFSA-N 1 3 301.434 2.056 20 30 DEEDHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902871366 643166198 /nfs/dbraw/zinc/16/61/98/643166198.db2.gz MYAMRENZORUWFO-XHSDSOJGSA-N 1 3 316.449 2.493 20 30 DEEDHO C=CCN1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+](CCC)C3)CCC[C@H]12 ZINC000992149865 646874713 /nfs/dbraw/zinc/87/47/13/646874713.db2.gz OEIDLEFWLWIASP-JENIJYKNSA-N 1 3 319.493 2.408 20 30 DEEDHO C=CCN1CC[C@]2(NC(=O)[C@H]3CCC[N@H+](CCC)C3)CCC[C@H]12 ZINC000992149865 646874716 /nfs/dbraw/zinc/87/47/16/646874716.db2.gz OEIDLEFWLWIASP-JENIJYKNSA-N 1 3 319.493 2.408 20 30 DEEDHO N#CCCC[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccccc1 ZINC000814658805 646917644 /nfs/dbraw/zinc/91/76/44/646917644.db2.gz IJWKFCJQKHOXDF-ROUUACIJSA-N 1 3 301.434 2.468 20 30 DEEDHO C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]21 ZINC000992710841 647193258 /nfs/dbraw/zinc/19/32/58/647193258.db2.gz JUSKTUSCPKNYQA-YESZJQIVSA-N 1 3 319.493 2.264 20 30 DEEDHO C=CCC[N@H+]1CCC[C@@H](NC(=O)C23CCCN2CCC3)[C@H]1C ZINC000993534464 647692461 /nfs/dbraw/zinc/69/24/61/647692461.db2.gz YJANBJPHBWLIEM-HZPDHXFCSA-N 1 3 305.466 2.160 20 30 DEEDHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C23CCCN2CCC3)[C@H]1C ZINC000993534464 647692463 /nfs/dbraw/zinc/69/24/63/647692463.db2.gz YJANBJPHBWLIEM-HZPDHXFCSA-N 1 3 305.466 2.160 20 30 DEEDHO CC#CCN1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947881710 648509536 /nfs/dbraw/zinc/50/95/36/648509536.db2.gz HNKLHESVMFLYFD-FUHWJXTLSA-N 1 3 319.493 2.099 20 30 DEEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)[C@@H](C)C1 ZINC000942053838 649145015 /nfs/dbraw/zinc/14/50/15/649145015.db2.gz UVYADNWTIMIYDG-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)[C@@H](C)C1 ZINC000942053838 649145018 /nfs/dbraw/zinc/14/50/18/649145018.db2.gz UVYADNWTIMIYDG-IRXDYDNUSA-N 1 3 319.493 2.101 20 30 DEEDHO N#CCCCC[C@@H](N)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000848414835 651457169 /nfs/dbraw/zinc/45/71/69/651457169.db2.gz OXVXRZIGNUDCAD-OFLPRAFFSA-N 1 3 320.481 2.311 20 30 DEEDHO C=C(C)CNC(=[NH2+])NCC1(N2CCC(OC)CC2)CCCC1 ZINC000849006439 651579737 /nfs/dbraw/zinc/57/97/37/651579737.db2.gz JJLBRVBDVIHSGM-UHFFFAOYSA-N 1 3 308.470 2.100 20 30 DEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)c1ccccc1F ZINC000104191026 684059343 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