smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+]1CC[C@H](N2CCN(CC3CC[NH+](C)CC3)CC2)C1 ZINC001173374280 912513631 /nfs/dbraw/zinc/51/36/31/912513631.db2.gz JWKKOYQFVYNFOE-KRWDZBQOSA-N 2 3 294.487 1.040 20 0 CDADHP CC[N@H+]1CC[C@H](N2CCN(CC3CC[NH+](C)CC3)CC2)C1 ZINC001173374280 912513641 /nfs/dbraw/zinc/51/36/41/912513641.db2.gz JWKKOYQFVYNFOE-KRWDZBQOSA-N 2 3 294.487 1.040 20 0 CDADHP N[C@@H]1CC[N@H+](Cc2cc3c(s2)C[NH2+]CC3)CC[C@@H]1F ZINC001206185383 912126942 /nfs/dbraw/zinc/12/69/42/912126942.db2.gz NBYYBNNFAJPPHQ-QWHCGFSZSA-N 2 3 283.416 1.655 20 0 CDADHP N[C@@H]1CC[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)CC[C@@H]1F ZINC001206185383 912126956 /nfs/dbraw/zinc/12/69/56/912126956.db2.gz NBYYBNNFAJPPHQ-QWHCGFSZSA-N 2 3 283.416 1.655 20 0 CDADHP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](C)(C[NH3+])CC2)C[C@H](C)N1 ZINC001246578489 931936265 /nfs/dbraw/zinc/93/62/65/931936265.db2.gz RGMALCIHNRLVRS-LXTVHRRPSA-N 2 3 253.434 1.966 20 0 CDADHP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)C[C@H](C)N1 ZINC001246578489 931936271 /nfs/dbraw/zinc/93/62/71/931936271.db2.gz RGMALCIHNRLVRS-LXTVHRRPSA-N 2 3 253.434 1.966 20 0 CDADHP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001246122576 947973489 /nfs/dbraw/zinc/97/34/89/947973489.db2.gz XFKAFEQHKWBTLS-QCODTGAPSA-N 2 3 265.445 1.837 20 0 CDADHP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CCN1 ZINC001246142243 947984386 /nfs/dbraw/zinc/98/43/86/947984386.db2.gz BUNLDXYEDOJFOF-RYPNDVFKSA-N 2 3 251.418 1.352 20 0 CDADHP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001246152485 947993251 /nfs/dbraw/zinc/99/32/51/947993251.db2.gz ZEQUHLOVMIOEKO-FPCVCCKLSA-N 2 3 292.471 1.075 20 0 CDADHP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001246152485 947993259 /nfs/dbraw/zinc/99/32/59/947993259.db2.gz ZEQUHLOVMIOEKO-FPCVCCKLSA-N 2 3 292.471 1.075 20 0 CDADHP CC(C)[NH+]1CCC(C[NH2+][C@H]2CCN[C@@H](C)C2)CC1 ZINC001246188456 948019866 /nfs/dbraw/zinc/01/98/66/948019866.db2.gz JFRAERZDRWNJKI-ZFWWWQNUSA-N 2 3 253.434 1.837 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCN1 ZINC001246342378 948119174 /nfs/dbraw/zinc/11/91/74/948119174.db2.gz ONFXGRVUCWVEOT-HIFRSBDPSA-N 2 3 274.412 1.781 20 0 CDADHP C1CC1[C@@H]([NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1)C1CNC1 ZINC001246513872 948218718 /nfs/dbraw/zinc/21/87/18/948218718.db2.gz FOLLGVBBSYVJQU-ARFHVFGLSA-N 2 3 263.429 1.496 20 0 CDADHP [NH3+]C[C@]1(O)CCCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001246543311 948247342 /nfs/dbraw/zinc/24/73/42/948247342.db2.gz MQOURZDRPJJAGE-INIZCTEOSA-N 2 3 281.444 1.037 20 0 CDADHP C[C@@H]1C[N@@H+]([C@@H]2CCNC(C)(C)C2)CCC[C@H]1C[NH3+] ZINC001246571654 948293684 /nfs/dbraw/zinc/29/36/84/948293684.db2.gz WRAKUBKWPNVVEG-HZSPNIEDSA-N 2 3 253.434 1.824 20 0 CDADHP C[C@@H]1C[N@H+]([C@@H]2CCNC(C)(C)C2)CCC[C@H]1C[NH3+] ZINC001246571654 948293693 /nfs/dbraw/zinc/29/36/93/948293693.db2.gz WRAKUBKWPNVVEG-HZSPNIEDSA-N 2 3 253.434 1.824 20 0 CDADHP NC[C@@H]1CCCC[N@@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246580550 948306718 /nfs/dbraw/zinc/30/67/18/948306718.db2.gz HBJZWPOJASJCRL-ARFHVFGLSA-N 2 3 265.445 1.970 20 0 CDADHP NC[C@@H]1CCCC[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246580550 948306725 /nfs/dbraw/zinc/30/67/25/948306725.db2.gz HBJZWPOJASJCRL-ARFHVFGLSA-N 2 3 265.445 1.970 20 0 CDADHP c1ccc(C[C@@H]2C[C@H]([N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CCN2)cc1 ZINC001246622538 948357001 /nfs/dbraw/zinc/35/70/01/948357001.db2.gz HRZLVDFPOJGFDZ-XMTFNYHQSA-N 2 3 285.435 1.501 20 0 CDADHP c1ccc(C[C@@H]2C[C@H]([N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CCN2)cc1 ZINC001246622538 948357009 /nfs/dbraw/zinc/35/70/09/948357009.db2.gz HRZLVDFPOJGFDZ-XMTFNYHQSA-N 2 3 285.435 1.501 20 0 CDADHP CC[C@@H]1C[C@H](N2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])C[C@H](CC)[NH2+]1 ZINC001246664492 948396015 /nfs/dbraw/zinc/39/60/15/948396015.db2.gz YEPSPUJWZMANCW-UJOWSUJOSA-N 2 3 251.418 1.717 20 0 CDADHP C1C[NH2+]C[C@H]([C@@H]2CCC[N@@H+](C3CCNCC3)C2)C1 ZINC001246678075 948401444 /nfs/dbraw/zinc/40/14/44/948401444.db2.gz MXMPHFUFWMCZGZ-ZIAGYGMSSA-N 2 3 251.418 1.450 20 0 CDADHP C1C[NH2+]C[C@H]([C@@H]2CCC[N@H+](C3CCNCC3)C2)C1 ZINC001246678075 948401447 /nfs/dbraw/zinc/40/14/47/948401447.db2.gz MXMPHFUFWMCZGZ-ZIAGYGMSSA-N 2 3 251.418 1.450 20 0 CDADHP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@H](C3C[NH2+]C3)C2)CCN1 ZINC001246676727 948401717 /nfs/dbraw/zinc/40/17/17/948401717.db2.gz FXKADPKQLUJXCK-IMJJTQAJSA-N 2 3 265.445 1.839 20 0 CDADHP CCCC[C@@H]1C[C@@H]([N@@H+]2CC[C@H](C3C[NH2+]C3)C2)CCN1 ZINC001246676727 948401713 /nfs/dbraw/zinc/40/17/13/948401713.db2.gz FXKADPKQLUJXCK-IMJJTQAJSA-N 2 3 265.445 1.839 20 0 CDADHP COCC[N@H+](C1CCC2(CC[NH2+]C2)CC1)[C@H]1CCCNC1 ZINC001246930715 948526200 /nfs/dbraw/zinc/52/62/00/948526200.db2.gz VRKPVHQHMNSVOR-CGZBRXJRSA-N 2 3 295.471 1.609 20 0 CDADHP COCC[N@@H+](C1CCC2(CC[NH2+]C2)CC1)[C@H]1CCCNC1 ZINC001246930715 948526204 /nfs/dbraw/zinc/52/62/04/948526204.db2.gz VRKPVHQHMNSVOR-CGZBRXJRSA-N 2 3 295.471 1.609 20 0 CDADHP CCN(CC)C[C@@H](O)C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001253191037 951789863 /nfs/dbraw/zinc/78/98/63/951789863.db2.gz VBAZPSPUIMQBGJ-KRWDZBQOSA-N 2 3 299.503 1.741 20 0 CDADHP CCN(CC)C[C@@H](O)C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001253191037 951789866 /nfs/dbraw/zinc/78/98/66/951789866.db2.gz VBAZPSPUIMQBGJ-KRWDZBQOSA-N 2 3 299.503 1.741 20 0 CDADHP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](C)[C@@H]2CCN)CC[NH2+]1 ZINC000650711816 398155748 /nfs/dbraw/zinc/15/57/48/398155748.db2.gz FKLDZWXJDNYDNF-YJNKXOJESA-N 2 3 253.434 1.824 20 0 CDADHP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](C)[C@@H]2CCN)CC[NH2+]1 ZINC000650711816 398155751 /nfs/dbraw/zinc/15/57/51/398155751.db2.gz FKLDZWXJDNYDNF-YJNKXOJESA-N 2 3 253.434 1.824 20 0 CDADHP CC(C)[C@H](CN)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000634996231 360624739 /nfs/dbraw/zinc/62/47/39/360624739.db2.gz DMNZMSAFABOTMT-JJXSEGSLSA-N 2 3 283.460 1.436 20 0 CDADHP CC(C)[C@H](CN)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000634996231 360624743 /nfs/dbraw/zinc/62/47/43/360624743.db2.gz DMNZMSAFABOTMT-JJXSEGSLSA-N 2 3 283.460 1.436 20 0 CDADHP CC(C)[C@H](C[NH3+])CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000634996231 360624747 /nfs/dbraw/zinc/62/47/47/360624747.db2.gz DMNZMSAFABOTMT-JJXSEGSLSA-N 2 3 283.460 1.436 20 0 CDADHP CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422850740 245329350 /nfs/dbraw/zinc/32/93/50/245329350.db2.gz DMVCAQUKAVZRFS-QBPKDAKJSA-N 2 3 297.487 1.854 20 0 CDADHP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CNC1 ZINC000422879711 245367175 /nfs/dbraw/zinc/36/71/75/245367175.db2.gz KTTBWAWDJNJUQF-QLFBSQMISA-N 2 3 267.461 1.942 20 0 CDADHP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CNC1 ZINC000422879711 245367178 /nfs/dbraw/zinc/36/71/78/245367178.db2.gz KTTBWAWDJNJUQF-QLFBSQMISA-N 2 3 267.461 1.942 20 0 CDADHP C(CN1CCC[C@H]1C[NH+]1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000420323719 376339499 /nfs/dbraw/zinc/33/94/99/376339499.db2.gz UPVSZQCLMBDUAR-CVEARBPZSA-N 2 3 265.445 1.936 20 0 CDADHP C[C@@H](NCC1(C)CC[NH+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000395255003 391770673 /nfs/dbraw/zinc/77/06/73/391770673.db2.gz VKOJCTJJAOOWBS-KGLIPLIRSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)C1CC[NH+](C)CC1 ZINC000396442158 397893965 /nfs/dbraw/zinc/89/39/65/397893965.db2.gz ALQCIKCXESUXMC-AEGPPILISA-N 2 3 253.434 1.824 20 0 CDADHP NCC1(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000656785855 413664058 /nfs/dbraw/zinc/66/40/58/413664058.db2.gz KFMOZNFDIMYZMY-CQSZACIVSA-N 2 3 251.418 1.437 20 0 CDADHP C([C@@H]1CCC2(CNC2)O1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662291891 414618339 /nfs/dbraw/zinc/61/83/39/414618339.db2.gz AKSQCQUYORVRLH-HOTGVXAUSA-N 2 3 293.455 1.219 20 0 CDADHP C([C@@H]1CCC2(CNC2)O1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662291891 414618341 /nfs/dbraw/zinc/61/83/41/414618341.db2.gz AKSQCQUYORVRLH-HOTGVXAUSA-N 2 3 293.455 1.219 20 0 CDADHP [NH3+][C@@H]1C[C@H](NC[C@H]2CC3(CO2)CC[NH2+]CC3)C12CCC2 ZINC000925727881 617980478 /nfs/dbraw/zinc/98/04/78/617980478.db2.gz BMENSISZZGRTPC-MCIONIFRSA-N 2 3 279.428 1.005 20 0 CDADHP N[C@@H]1C[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C12CCC2 ZINC000925727881 617980483 /nfs/dbraw/zinc/98/04/83/617980483.db2.gz BMENSISZZGRTPC-MCIONIFRSA-N 2 3 279.428 1.005 20 0 CDADHP CN(C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCC[NH2+]CC1 ZINC000903746164 626071022 /nfs/dbraw/zinc/07/10/22/626071022.db2.gz VVWCSGGDZBASQI-GJZGRUSLSA-N 2 3 281.444 1.219 20 0 CDADHP C(O[C@H]1CC[NH2+]C1)C1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903775304 626089982 /nfs/dbraw/zinc/08/99/82/626089982.db2.gz KCPDCEUPVNRCPI-IRXDYDNUSA-N 2 3 295.471 1.467 20 0 CDADHP CSC1(CN[C@H]2CCC[NH2+][C@@H]2C)CC[NH+](C)CC1 ZINC000925669359 677776609 /nfs/dbraw/zinc/77/66/09/677776609.db2.gz SSPGEDDZQMCDOD-OLZOCXBDSA-N 2 3 271.474 1.544 20 0 CDADHP C[C@@H]1CC[C@@H](NCCCC2CC[NH+](C)CC2)C[NH2+]1 ZINC001246362432 931483969 /nfs/dbraw/zinc/48/39/69/931483969.db2.gz LHZKADJEPXONPK-UKRRQHHQSA-N 2 3 253.434 1.839 20 0 CDADHP CCOC(=O)[C@@H]1CCC[C@H](NCCC[NH2+]CCCC[NH3+])C1 ZINC001246456592 931499692 /nfs/dbraw/zinc/49/96/92/931499692.db2.gz JSORISNGQQRWTB-CABCVRRESA-N 2 3 299.459 1.417 20 0 CDADHP C[C@@H]1[C@@H](CN)CCC[N@@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246565231 931806652 /nfs/dbraw/zinc/80/66/52/931806652.db2.gz PFMLPUFWMWKJCS-RBSFLKMASA-N 2 3 265.445 1.968 20 0 CDADHP C[C@@H]1[C@@H](CN)CCC[N@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246565231 931806654 /nfs/dbraw/zinc/80/66/54/931806654.db2.gz PFMLPUFWMWKJCS-RBSFLKMASA-N 2 3 265.445 1.968 20 0 CDADHP Cc1cc(NCC2(N(C)C)CC[NH+](C)CC2)cc(C)[nH+]1 ZINC001164213006 939431066 /nfs/dbraw/zinc/43/10/66/939431066.db2.gz LUXVHPLBONVXQW-UHFFFAOYSA-N 2 3 276.428 1.558 20 0 CDADHP CN1CCC[C@@H](C[NH+]2CCC3(CC[N@H+](C)C3)CC2)C1 ZINC001276497053 940099407 /nfs/dbraw/zinc/09/94/07/940099407.db2.gz QNGRGZLKXBYCQE-OAHLLOKOSA-N 2 3 265.445 1.746 20 0 CDADHP CN1CCC[C@@H](C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)C1 ZINC001276497053 940099412 /nfs/dbraw/zinc/09/94/12/940099412.db2.gz QNGRGZLKXBYCQE-OAHLLOKOSA-N 2 3 265.445 1.746 20 0 CDADHP CN1CCC[C@H](C[NH+]2CCC3(CC[N@H+](C)C3)CC2)C1 ZINC001276497052 940099695 /nfs/dbraw/zinc/09/96/95/940099695.db2.gz QNGRGZLKXBYCQE-HNNXBMFYSA-N 2 3 265.445 1.746 20 0 CDADHP CN1CCC[C@H](C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)C1 ZINC001276497052 940099697 /nfs/dbraw/zinc/09/96/97/940099697.db2.gz QNGRGZLKXBYCQE-HNNXBMFYSA-N 2 3 265.445 1.746 20 0 CDADHP C[NH+]1CCC[C@@H](CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)C1 ZINC001208611712 940354174 /nfs/dbraw/zinc/35/41/74/940354174.db2.gz XCXRTRFAPGCWNB-KFWWJZLASA-N 2 3 251.418 1.212 20 0 CDADHP C[NH+]1CCC[C@@H](CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)C1 ZINC001208611712 940354178 /nfs/dbraw/zinc/35/41/78/940354178.db2.gz XCXRTRFAPGCWNB-KFWWJZLASA-N 2 3 251.418 1.212 20 0 CDADHP C[NH+]1CC[C@@H]2CN(C[C@@H]3CCC[N@H+](C)C3)C[C@@H]2C1 ZINC001208611712 940354179 /nfs/dbraw/zinc/35/41/79/940354179.db2.gz XCXRTRFAPGCWNB-KFWWJZLASA-N 2 3 251.418 1.212 20 0 CDADHP C[NH+]1CC[C@@H]2CN(C[C@@H]3CCC[N@@H+](C)C3)C[C@@H]2C1 ZINC001208611712 940354181 /nfs/dbraw/zinc/35/41/81/940354181.db2.gz XCXRTRFAPGCWNB-KFWWJZLASA-N 2 3 251.418 1.212 20 0 CDADHP [NH3+]C12CC(CC[N@@H+]3CCCC[C@@]34CCCNC4)(C1)C2 ZINC001235172343 944077030 /nfs/dbraw/zinc/07/70/30/944077030.db2.gz LZFZYZIPMHWGQV-GPANFISMSA-N 2 3 263.429 1.866 20 0 CDADHP [NH3+]C12CC(CC[N@H+]3CCCC[C@@]34CCCNC4)(C1)C2 ZINC001235172343 944077034 /nfs/dbraw/zinc/07/70/34/944077034.db2.gz LZFZYZIPMHWGQV-GPANFISMSA-N 2 3 263.429 1.866 20 0 CDADHP C[C@@H]1CCN(C[C@H](O)C[NH2+]C(C)(C)C)CC[C@@H]1C[NH3+] ZINC001246017485 947896345 /nfs/dbraw/zinc/89/63/45/947896345.db2.gz AWNKTSPOWYPHMC-MGPQQGTHSA-N 2 3 271.449 1.042 20 0 CDADHP C[C@@H]1CC[N@H+](C[C@H](O)CNC(C)(C)C)CC[C@@H]1C[NH3+] ZINC001246017485 947896350 /nfs/dbraw/zinc/89/63/50/947896350.db2.gz AWNKTSPOWYPHMC-MGPQQGTHSA-N 2 3 271.449 1.042 20 0 CDADHP C[C@@H]1CC[N@@H+](C[C@H](O)CNC(C)(C)C)CC[C@@H]1C[NH3+] ZINC001246017485 947896356 /nfs/dbraw/zinc/89/63/56/947896356.db2.gz AWNKTSPOWYPHMC-MGPQQGTHSA-N 2 3 271.449 1.042 20 0 CDADHP C[C@@H]1CC([NH2+]C[C@@H]2CCC[NH2+]C[C@H]2C)C[C@@H](C)N1 ZINC001246096820 947947743 /nfs/dbraw/zinc/94/77/43/947947743.db2.gz LSGWTPIVWONKPT-SYQHCUMBSA-N 2 3 253.434 1.741 20 0 CDADHP CCCC[C@H]1C[C@H](NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CC[NH2+]1 ZINC001246151287 947992214 /nfs/dbraw/zinc/99/22/14/947992214.db2.gz ZGDPFSMYQNPHLL-JKJDWNRSSA-N 2 3 281.444 1.264 20 0 CDADHP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)C2 ZINC001246197706 948023519 /nfs/dbraw/zinc/02/35/19/948023519.db2.gz LDVKYHLVKOOJTM-XQLPTFJDSA-N 2 3 251.418 1.591 20 0 CDADHP [NH3+]C1(CC2CCC2)CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246383166 948145991 /nfs/dbraw/zinc/14/59/91/948145991.db2.gz HBLGGDYXJWASCW-OAHLLOKOSA-N 2 3 292.471 1.064 20 0 CDADHP CCC1(C[NH2+]C2C[C@H](C)N[C@@H](C)C2)CC[NH2+]CC1 ZINC001246421886 948166821 /nfs/dbraw/zinc/16/68/21/948166821.db2.gz KJCMRRZCEABAFZ-STQMWFEESA-N 2 3 253.434 1.885 20 0 CDADHP c1ccc(C2(CNC3CC[NH2+]CC3)CC[NH2+]CC2)nc1 ZINC001246426227 948167753 /nfs/dbraw/zinc/16/77/53/948167753.db2.gz FMPMBGYJSWGNCX-UHFFFAOYSA-N 2 3 274.412 1.044 20 0 CDADHP c1ccc(C2(C[NH2+]C3CCNCC3)CC[NH2+]CC2)nc1 ZINC001246426227 948167763 /nfs/dbraw/zinc/16/77/63/948167763.db2.gz FMPMBGYJSWGNCX-UHFFFAOYSA-N 2 3 274.412 1.044 20 0 CDADHP CC(C)OC(=O)CC[C@H](C)NCCC[NH2+]CCCC[NH3+] ZINC001246457654 948184510 /nfs/dbraw/zinc/18/45/10/948184510.db2.gz PKMKLOVRSOOWKL-AWEZNQCLSA-N 2 3 287.448 1.415 20 0 CDADHP [NH3+]CCCC[NH2+]CCCNC1Cc2cc(F)c(F)cc2C1 ZINC001246457711 948185109 /nfs/dbraw/zinc/18/51/09/948185109.db2.gz QPVXNBYRSRYEOB-UHFFFAOYSA-N 2 3 297.393 1.740 20 0 CDADHP C1CC([C@H]([NH2+][C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C2CNC2)C1 ZINC001246512187 948217798 /nfs/dbraw/zinc/21/77/98/948217798.db2.gz AZXOZTHNRZERTN-YESZJQIVSA-N 2 3 277.456 1.886 20 0 CDADHP [NH3+]C[C@]1(O)CCCN([C@@H]2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC001246542234 948245932 /nfs/dbraw/zinc/24/59/32/948245932.db2.gz JQLGGKDOMNAOLS-WBVHZDCISA-N 2 3 295.471 1.617 20 0 CDADHP C[C@@H]1CC[N@@H+]([C@H]2CCNC(C)(C)C2)CC[C@H]1C[NH3+] ZINC001246556940 948267988 /nfs/dbraw/zinc/26/79/88/948267988.db2.gz ILRDGNJNQKOHOK-RDBSUJKOSA-N 2 3 253.434 1.824 20 0 CDADHP C[C@@H]1CC[N@H+]([C@H]2CCNC(C)(C)C2)CC[C@H]1C[NH3+] ZINC001246556940 948267992 /nfs/dbraw/zinc/26/79/92/948267992.db2.gz ILRDGNJNQKOHOK-RDBSUJKOSA-N 2 3 253.434 1.824 20 0 CDADHP C[C@@H]1C[C@H]([NH3+])CN1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246999567 948569882 /nfs/dbraw/zinc/56/98/82/948569882.db2.gz RATNABKHWNJGFQ-OLZOCXBDSA-N 2 3 251.418 1.720 20 0 CDADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC001553024819 964489000 /nfs/dbraw/zinc/48/90/00/964489000.db2.gz QZPAYVBNTVZKJN-BFHYXJOUSA-N 2 3 251.418 1.352 20 0 CDADHP CC[C@H]1CN(CC2CC[NH+](CC)CC2)CC[C@H]1[NH3+] ZINC001577280238 1171636939 /nfs/dbraw/zinc/63/69/39/1171636939.db2.gz ZOFCEVSRMZJOIU-LSDHHAIUSA-N 2 3 253.434 1.778 20 0 CDADHP CC[C@H]1C[N@H+](CC2CC[NH+](CC)CC2)CC[C@H]1N ZINC001577280238 1171636942 /nfs/dbraw/zinc/63/69/42/1171636942.db2.gz ZOFCEVSRMZJOIU-LSDHHAIUSA-N 2 3 253.434 1.778 20 0 CDADHP CC[C@H]1C[N@@H+](CC2CC[NH+](CC)CC2)CC[C@H]1N ZINC001577280238 1171636945 /nfs/dbraw/zinc/63/69/45/1171636945.db2.gz ZOFCEVSRMZJOIU-LSDHHAIUSA-N 2 3 253.434 1.778 20 0 CDADHP C[NH+]1CCC(C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000044516207 359090664 /nfs/dbraw/zinc/09/06/64/359090664.db2.gz FWEADWLDOGRCDX-UHFFFAOYSA-N 2 3 288.439 1.982 20 0 CDADHP CCCN1CCC([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422775777 359656987 /nfs/dbraw/zinc/65/69/87/359656987.db2.gz CHAXVOYZKDVYHM-HIFRSBDPSA-N 2 3 253.434 1.839 20 0 CDADHP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000348188480 359898704 /nfs/dbraw/zinc/89/87/04/359898704.db2.gz LOMHSNJNPJSIRS-IAGOWNOFSA-N 2 3 297.487 1.903 20 0 CDADHP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000348188480 359898705 /nfs/dbraw/zinc/89/87/05/359898705.db2.gz LOMHSNJNPJSIRS-IAGOWNOFSA-N 2 3 297.487 1.903 20 0 CDADHP CC(C)[C@H](CN)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000634996622 360628746 /nfs/dbraw/zinc/62/87/46/360628746.db2.gz PKMHTLHYVBPMQN-PMPSAXMXSA-N 2 3 283.460 1.436 20 0 CDADHP CC(C)[C@H](C[NH3+])CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000634996622 360628748 /nfs/dbraw/zinc/62/87/48/360628748.db2.gz PKMHTLHYVBPMQN-PMPSAXMXSA-N 2 3 283.460 1.436 20 0 CDADHP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1CCCNC1 ZINC000516855040 367196218 /nfs/dbraw/zinc/19/62/18/367196218.db2.gz NXEYCQLYNRYVAD-PMOUVXMZSA-N 2 3 251.418 1.352 20 0 CDADHP C([C@@H]1CCCNC1)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414775073 391377608 /nfs/dbraw/zinc/37/76/08/391377608.db2.gz GCKJXUROHWPTNE-RBSFLKMASA-N 2 3 251.418 1.308 20 0 CDADHP C([C@@H]1CCCNC1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414775073 391377610 /nfs/dbraw/zinc/37/76/10/391377610.db2.gz GCKJXUROHWPTNE-RBSFLKMASA-N 2 3 251.418 1.308 20 0 CDADHP C[C@@H](NC[C@@H](C)C[NH3+])c1ccc(OCC[NH+](C)C)cc1 ZINC000423296532 392494092 /nfs/dbraw/zinc/49/40/92/392494092.db2.gz HEDGEJIHKDSWDX-UONOGXRCSA-N 2 3 279.428 1.872 20 0 CDADHP CC[NH+](CC)CC1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662260632 414594560 /nfs/dbraw/zinc/59/45/60/414594560.db2.gz NWOIISZPFIKLTK-MRXNPFEDSA-N 2 3 295.471 1.561 20 0 CDADHP [NH3+]CC1CCC([NH2+][C@H]2CCNC3(CCC3)C2)CC1 ZINC000666993816 483038733 /nfs/dbraw/zinc/03/87/33/483038733.db2.gz LVLOQPFKDPNZQI-RUXDESIVSA-N 2 3 251.418 1.768 20 0 CDADHP [NH3+][C@@H]1CCO[C@H](C2CCN(C[C@@H]3CCCC[NH2+]C3)CC2)C1 ZINC000903760669 626081845 /nfs/dbraw/zinc/08/18/45/626081845.db2.gz JGLREIAUYOMFEC-OIISXLGYSA-N 2 3 295.471 1.594 20 0 CDADHP CC(C)(C)CC[C@H]([NH3+])CN[C@H]1CC12CC[NH2+]CC2 ZINC000904354900 626263738 /nfs/dbraw/zinc/26/37/38/626263738.db2.gz KSWUZZKNHYVSKU-STQMWFEESA-N 2 3 253.434 1.872 20 0 CDADHP CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000715556407 682084503 /nfs/dbraw/zinc/08/45/03/682084503.db2.gz CWLVKADXGXIENG-IBEHDNSVSA-N 2 3 265.445 1.837 20 0 CDADHP CC[NH+]1CCC(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000381271110 683511129 /nfs/dbraw/zinc/51/11/29/683511129.db2.gz CLVGGAVICQTROV-GVRJEKJASA-N 2 3 263.429 1.304 20 0 CDADHP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCC1CC[NH+](C)CC1 ZINC000229954790 1177427406 /nfs/dbraw/zinc/42/74/06/1177427406.db2.gz NCCMXGONTNRJFI-MQVJKMGUSA-N 2 3 265.445 1.933 20 0 CDADHP C[C@@H]1CC[NH2+]CC[C@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246111946 931060707 /nfs/dbraw/zinc/06/07/07/931060707.db2.gz PAHGRZMEQISAMF-LEOABGAYSA-N 2 3 265.445 1.885 20 0 CDADHP C[NH2+]C[C@@H]1CCCN(C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246546726 931680174 /nfs/dbraw/zinc/68/01/74/931680174.db2.gz DYJOMVRENNCYRU-FHERZECASA-N 2 3 265.445 1.840 20 0 CDADHP C[C@@H]1CC([N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)C[C@@H](C)N1 ZINC001246563539 931791500 /nfs/dbraw/zinc/79/15/00/931791500.db2.gz XGRRZEBSNMOLML-SYQHCUMBSA-N 2 3 253.434 1.822 20 0 CDADHP C[C@@H]1CC([N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)C[C@@H](C)N1 ZINC001246563539 931791507 /nfs/dbraw/zinc/79/15/07/931791507.db2.gz XGRRZEBSNMOLML-SYQHCUMBSA-N 2 3 253.434 1.822 20 0 CDADHP CCC[NH+](CCC)CCN1CCN(CCCC[NH3+])CC1 ZINC001235962176 944333491 /nfs/dbraw/zinc/33/34/91/944333491.db2.gz LYZJHQRWQIAIPQ-UHFFFAOYSA-N 2 3 284.492 1.465 20 0 CDADHP [NH3+]CCCC[N@@H+]1Cc2ccccc2C12CCNCC2 ZINC001237304787 944721551 /nfs/dbraw/zinc/72/15/51/944721551.db2.gz LQJWFIHABDEUCN-UHFFFAOYSA-N 2 3 259.397 1.820 20 0 CDADHP [NH3+]CCCC[N@H+]1Cc2ccccc2C12CCNCC2 ZINC001237304787 944721558 /nfs/dbraw/zinc/72/15/58/944721558.db2.gz LQJWFIHABDEUCN-UHFFFAOYSA-N 2 3 259.397 1.820 20 0 CDADHP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H](CCC[NH3+])C2)CCN1 ZINC001246494248 948207670 /nfs/dbraw/zinc/20/76/70/948207670.db2.gz CPCORAXYXDPURJ-ILXRZTDVSA-N 2 3 253.434 1.968 20 0 CDADHP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CCN1 ZINC001246494248 948207676 /nfs/dbraw/zinc/20/76/76/948207676.db2.gz CPCORAXYXDPURJ-ILXRZTDVSA-N 2 3 253.434 1.968 20 0 CDADHP CC1(C)C[C@H]([N@@H+]2CCCC3(CC[NH2+]CC3)C2)CCN1 ZINC001246524949 948227393 /nfs/dbraw/zinc/22/73/93/948227393.db2.gz VFFUXALLXSSTLF-CQSZACIVSA-N 2 3 265.445 1.983 20 0 CDADHP CC1(C)C[C@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)CCN1 ZINC001246524949 948227397 /nfs/dbraw/zinc/22/73/97/948227397.db2.gz VFFUXALLXSSTLF-CQSZACIVSA-N 2 3 265.445 1.983 20 0 CDADHP CCCC[C@@H]1C[C@H](N2CCC[C@@](O)(C[NH3+])CC2)CC[NH2+]1 ZINC001246539130 948239730 /nfs/dbraw/zinc/23/97/30/948239730.db2.gz AUDCIMKIRVBISU-OAGGEKHMSA-N 2 3 283.460 1.473 20 0 CDADHP CC(C)[C@H]1C[C@@H](N2CCC(CC[NH3+])CC2)CC[NH2+]1 ZINC001246579325 948305991 /nfs/dbraw/zinc/30/59/91/948305991.db2.gz IIHZQBGTWVHJDS-LSDHHAIUSA-N 2 3 253.434 1.824 20 0 CDADHP C1[NH2+]CC12C[C@H]([N@@H+]1CCC[C@]13CCCNC3)CS2 ZINC001246606443 948340022 /nfs/dbraw/zinc/34/00/22/948340022.db2.gz FKFWFNCOYJJFAM-STQMWFEESA-N 2 3 267.442 1.052 20 0 CDADHP C1[NH2+]CC12C[C@H]([N@H+]1CCC[C@]13CCCNC3)CS2 ZINC001246606443 948340029 /nfs/dbraw/zinc/34/00/29/948340029.db2.gz FKFWFNCOYJJFAM-STQMWFEESA-N 2 3 267.442 1.052 20 0 CDADHP [NH3+]CC12CC(C1)CN2C1CCC2(CCC[NH2+]C2)CC1 ZINC001246646570 948384781 /nfs/dbraw/zinc/38/47/81/948384781.db2.gz NZLCOESHOZGPHY-UHFFFAOYSA-N 2 3 263.429 1.722 20 0 CDADHP F[C@@H]1CCNC[C@]12CC[N@@H+]([C@@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246695841 948407338 /nfs/dbraw/zinc/40/73/38/948407338.db2.gz SVZJMCWUFBUYFR-NCOADZHNSA-N 2 3 295.446 1.932 20 0 CDADHP F[C@@H]1CCNC[C@]12CC[N@H+]([C@@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246695841 948407345 /nfs/dbraw/zinc/40/73/45/948407345.db2.gz SVZJMCWUFBUYFR-NCOADZHNSA-N 2 3 295.446 1.932 20 0 CDADHP C[C@H]1CC([N@H+](C)CCC2CC[NH2+]CC2)C[C@H](C)N1 ZINC001246796887 948443310 /nfs/dbraw/zinc/44/33/10/948443310.db2.gz NNLHAAIZMVRNNO-STQMWFEESA-N 2 3 253.434 1.837 20 0 CDADHP C[C@H]1CC([N@@H+](C)CCC2CC[NH2+]CC2)C[C@H](C)N1 ZINC001246796887 948443312 /nfs/dbraw/zinc/44/33/12/948443312.db2.gz NNLHAAIZMVRNNO-STQMWFEESA-N 2 3 253.434 1.837 20 0 CDADHP CC1(C)CNCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000634733493 358071925 /nfs/dbraw/zinc/07/19/25/358071925.db2.gz GZIFDNJAGCMNSY-BARDWOONSA-N 2 3 265.445 1.742 20 0 CDADHP C[NH+]1CCC(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000128017454 359548637 /nfs/dbraw/zinc/54/86/37/359548637.db2.gz SRGKNCOCHGGKTD-LSDHHAIUSA-N 2 3 251.418 1.545 20 0 CDADHP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000423172740 359755387 /nfs/dbraw/zinc/75/53/87/359755387.db2.gz UYGZCWQTNARLSI-QLFBSQMISA-N 2 3 253.434 1.825 20 0 CDADHP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000423172740 359755391 /nfs/dbraw/zinc/75/53/91/359755391.db2.gz UYGZCWQTNARLSI-QLFBSQMISA-N 2 3 253.434 1.825 20 0 CDADHP CC(C)[NH+]1CCC(O)(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339068438 391249266 /nfs/dbraw/zinc/24/92/66/391249266.db2.gz QGFGZYOBVABZCC-HOTGVXAUSA-N 2 3 295.471 1.438 20 0 CDADHP CC(C)[NH+]1CCC(O)(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339068438 391249271 /nfs/dbraw/zinc/24/92/71/391249271.db2.gz QGFGZYOBVABZCC-HOTGVXAUSA-N 2 3 295.471 1.438 20 0 CDADHP CC[C@@H](NCC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423089435 392334666 /nfs/dbraw/zinc/33/46/66/392334666.db2.gz SDMKOTNTQYLXTM-CVEARBPZSA-N 2 3 265.445 1.981 20 0 CDADHP CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@@H]1CCCN1 ZINC000423089435 392334671 /nfs/dbraw/zinc/33/46/71/392334671.db2.gz SDMKOTNTQYLXTM-CVEARBPZSA-N 2 3 265.445 1.981 20 0 CDADHP CC[C@@H](NC1CCC([NH+](C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000423543362 392586079 /nfs/dbraw/zinc/58/60/79/392586079.db2.gz HBSTYDPRTYGHJA-CVSAEHQPSA-N 2 3 253.434 1.979 20 0 CDADHP CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H]1CCCN1 ZINC000423543362 392586087 /nfs/dbraw/zinc/58/60/87/392586087.db2.gz HBSTYDPRTYGHJA-CVSAEHQPSA-N 2 3 253.434 1.979 20 0 CDADHP COCC[N@H+](C)CCCC1CC[NH+](CC(C)(C)N)CC1 ZINC000347006280 153376484 /nfs/dbraw/zinc/37/64/84/153376484.db2.gz POFRRFWTVJNMFU-UHFFFAOYSA-N 2 3 285.476 1.794 20 0 CDADHP COCC[N@@H+](C)CCCC1CC[NH+](CC(C)(C)N)CC1 ZINC000347006280 153376487 /nfs/dbraw/zinc/37/64/87/153376487.db2.gz POFRRFWTVJNMFU-UHFFFAOYSA-N 2 3 285.476 1.794 20 0 CDADHP CCCN1CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000089140577 686819266 /nfs/dbraw/zinc/81/92/66/686819266.db2.gz VMQXEZKCQOWHJA-HIFRSBDPSA-N 2 3 253.434 1.968 20 0 CDADHP CC[NH+]1CCC(NCc2ccc(CC[NH3+])cc2)CC1 ZINC000841033140 687000487 /nfs/dbraw/zinc/00/04/87/687000487.db2.gz LPPCCWAGMMWYOV-UHFFFAOYSA-N 2 3 261.413 1.762 20 0 CDADHP C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCC[NH2+]1 ZINC000423564832 290025518 /nfs/dbraw/zinc/02/55/18/290025518.db2.gz YGQZQRSUDZUMAG-LXFSFDBISA-N 2 3 251.418 1.495 20 0 CDADHP C[NH+]1CCC(N(c2cccc(N)n2)C2CC[NH2+]CC2)CC1 ZINC001158575765 938639558 /nfs/dbraw/zinc/63/95/58/938639558.db2.gz VBNKSFJWVGBFIN-UHFFFAOYSA-N 2 3 289.427 1.316 20 0 CDADHP CN(C)C1(CNc2cccc(C[NH3+])c2)CC[NH+](C)CC1 ZINC001164212046 939431370 /nfs/dbraw/zinc/43/13/70/939431370.db2.gz WRHQOCKWZRPQJO-UHFFFAOYSA-N 2 3 276.428 1.583 20 0 CDADHP [NH3+]C[C@]1(O)CCCCN(Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001205674021 939915223 /nfs/dbraw/zinc/91/52/23/939915223.db2.gz XQPPESBVPQBUQN-QGZVFWFLSA-N 2 3 289.423 1.008 20 0 CDADHP Cc1c[nH+]ccc1N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001207401721 940190142 /nfs/dbraw/zinc/19/01/42/940190142.db2.gz SHIRFPZNFLBLRR-UHFFFAOYSA-N 2 3 288.439 1.854 20 0 CDADHP CCN1CCO[C@@H]2C[N@@H+]([C@@H]3CCC[NH+](C)CC3)C[C@@H]2C1 ZINC001254521402 947488236 /nfs/dbraw/zinc/48/82/36/947488236.db2.gz KGALPCZZOMYYRA-ARFHVFGLSA-N 2 3 281.444 1.123 20 0 CDADHP CCN1CCO[C@@H]2C[N@H+]([C@@H]3CCC[NH+](C)CC3)C[C@@H]2C1 ZINC001254521402 947488242 /nfs/dbraw/zinc/48/82/42/947488242.db2.gz KGALPCZZOMYYRA-ARFHVFGLSA-N 2 3 281.444 1.123 20 0 CDADHP CCN1CCO[C@@H]2C[NH+]([C@@H]3CCC[N@H+](C)CC3)C[C@@H]2C1 ZINC001254521402 947488249 /nfs/dbraw/zinc/48/82/49/947488249.db2.gz KGALPCZZOMYYRA-ARFHVFGLSA-N 2 3 281.444 1.123 20 0 CDADHP CCN1CCO[C@@H]2C[NH+]([C@@H]3CCC[N@@H+](C)CC3)C[C@@H]2C1 ZINC001254521402 947488252 /nfs/dbraw/zinc/48/82/52/947488252.db2.gz KGALPCZZOMYYRA-ARFHVFGLSA-N 2 3 281.444 1.123 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CCN1 ZINC001246142249 947985709 /nfs/dbraw/zinc/98/57/09/947985709.db2.gz BUNLDXYEDOJFOF-ZSAUSMIDSA-N 2 3 251.418 1.352 20 0 CDADHP CC1(C)CNCC[C@@H]1[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246369164 948139438 /nfs/dbraw/zinc/13/94/38/948139438.db2.gz CAWCVXXSUCLPDF-DZKIICNBSA-N 2 3 265.445 1.886 20 0 CDADHP CCC1(C[NH2+][C@@H]2CCNC(C)(C)C2)CC[NH2+]CC1 ZINC001246425832 948166922 /nfs/dbraw/zinc/16/69/22/948166922.db2.gz ZSRFXARNOBJVTC-CYBMUJFWSA-N 2 3 253.434 1.886 20 0 CDADHP CC(C)(C)[C@@H]1C[C@H](N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CC[NH2+]1 ZINC001246631862 948367743 /nfs/dbraw/zinc/36/77/43/948367743.db2.gz UAHOLFNRGFSXBG-FPCVCCKLSA-N 2 3 295.471 1.463 20 0 CDADHP C[NH2+]CC1CCN([C@H]2CC[NH2+][C@H](C(C)C)C2)CC1 ZINC001246782527 948435640 /nfs/dbraw/zinc/43/56/40/948435640.db2.gz SRVHXEPNGBZJCM-GJZGRUSLSA-N 2 3 253.434 1.694 20 0 CDADHP C([C@H]1CCCNC1)[N@H+](C1CC1)C1CCC2(C[NH2+]C2)CC1 ZINC001246972565 948550278 /nfs/dbraw/zinc/55/02/78/948550278.db2.gz KMMBWUKSUVBGFV-AWEZNQCLSA-N 2 3 277.456 1.983 20 0 CDADHP C([C@H]1CCCNC1)[N@@H+](C1CC1)C1CCC2(C[NH2+]C2)CC1 ZINC001246972565 948550285 /nfs/dbraw/zinc/55/02/85/948550285.db2.gz KMMBWUKSUVBGFV-AWEZNQCLSA-N 2 3 277.456 1.983 20 0 CDADHP CCCC[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CCN1 ZINC001246977112 948555861 /nfs/dbraw/zinc/55/58/61/948555861.db2.gz RRERSYHMLBBLDM-UYJHQMFVSA-N 2 3 265.445 1.966 20 0 CDADHP CCCC[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CCN1 ZINC001246977112 948555869 /nfs/dbraw/zinc/55/58/69/948555869.db2.gz RRERSYHMLBBLDM-UYJHQMFVSA-N 2 3 265.445 1.966 20 0 CDADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC001553024828 967420411 /nfs/dbraw/zinc/42/04/11/967420411.db2.gz QZPAYVBNTVZKJN-MJBXVCDLSA-N 2 3 251.418 1.352 20 0 CDADHP CC(C)[C@@H](CN)C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC001575423083 1171169957 /nfs/dbraw/zinc/16/99/57/1171169957.db2.gz PBTYSLBKANZBED-AWEZNQCLSA-N 2 3 271.449 1.260 20 0 CDADHP C[C@@H](NCCC1CC[NH+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000386486019 356650184 /nfs/dbraw/zinc/65/01/84/356650184.db2.gz SXPIPBRAAYWQLX-UKRRQHHQSA-N 2 3 253.434 1.839 20 0 CDADHP CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414707385 241343186 /nfs/dbraw/zinc/34/31/86/241343186.db2.gz NUWDWVLYZSYETR-ILXRZTDVSA-N 2 3 253.434 1.648 20 0 CDADHP CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414707385 241343189 /nfs/dbraw/zinc/34/31/89/241343189.db2.gz NUWDWVLYZSYETR-ILXRZTDVSA-N 2 3 253.434 1.648 20 0 CDADHP CC(C)(C)N1CCC([NH2+]CC[C@H]2CC[NH2+]C2)CC1 ZINC000414838162 367138358 /nfs/dbraw/zinc/13/83/58/367138358.db2.gz VCQNWCPZHGLSFB-CYBMUJFWSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@H](NC[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCCC[NH2+]1 ZINC000333323356 205217806 /nfs/dbraw/zinc/21/78/06/205217806.db2.gz UVZBGQBHGXPONK-ZQDZILKHSA-N 2 3 253.434 1.872 20 0 CDADHP C[C@H](NCC1CC[NH+](C2CC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000423083016 392329133 /nfs/dbraw/zinc/32/91/33/392329133.db2.gz GAXSPMZTPUBAOZ-XJKSGUPXSA-N 2 3 265.445 1.981 20 0 CDADHP C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423167391 287029609 /nfs/dbraw/zinc/02/96/09/287029609.db2.gz FAVORTUMQOAKAT-ILXRZTDVSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423167391 287029611 /nfs/dbraw/zinc/02/96/11/287029611.db2.gz FAVORTUMQOAKAT-ILXRZTDVSA-N 2 3 253.434 1.839 20 0 CDADHP [NH3+]C1CCC([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000665299477 414044030 /nfs/dbraw/zinc/04/40/30/414044030.db2.gz NYBHVQPXTKEOQC-QQFBHYJXSA-N 2 3 265.445 1.968 20 0 CDADHP C([C@H]1CC[NH2+]C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293415 414620481 /nfs/dbraw/zinc/62/04/81/414620481.db2.gz KSBZGWCWYBJYIW-ZFWWWQNUSA-N 2 3 251.418 1.308 20 0 CDADHP CC[NH+](CC)CCOCCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000349724467 276100120 /nfs/dbraw/zinc/10/01/20/276100120.db2.gz UNCSUOIROFSILM-LSDHHAIUSA-N 2 3 271.449 1.417 20 0 CDADHP CC[NH+](CC)CCOCCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000349724467 276100121 /nfs/dbraw/zinc/10/01/21/276100121.db2.gz UNCSUOIROFSILM-LSDHHAIUSA-N 2 3 271.449 1.417 20 0 CDADHP CN(C)[C@H]1CCC[C@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422835873 289380422 /nfs/dbraw/zinc/38/04/22/289380422.db2.gz JHFRBVRAHOSQKQ-WUCCLRPBSA-N 2 3 253.434 1.966 20 0 CDADHP C[C@H]1C[NH+](CC2CCN(CCC[NH3+])CC2)C[C@H](C)O1 ZINC000414692527 300252179 /nfs/dbraw/zinc/25/21/79/300252179.db2.gz QKMYAFCNASJVFO-KBPBESRZSA-N 2 3 269.433 1.156 20 0 CDADHP NCC1([C@@H]2CCCC[N@@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)CCC1 ZINC000903810735 626100976 /nfs/dbraw/zinc/10/09/76/626100976.db2.gz GFNZWIVGNSOSAU-GJZGRUSLSA-N 2 3 293.455 1.348 20 0 CDADHP NCC1([C@@H]2CCCC[N@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)CCC1 ZINC000903810735 626100978 /nfs/dbraw/zinc/10/09/78/626100978.db2.gz GFNZWIVGNSOSAU-GJZGRUSLSA-N 2 3 293.455 1.348 20 0 CDADHP CC(C)[NH+]1CCC(NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000873291827 693112446 /nfs/dbraw/zinc/11/24/46/693112446.db2.gz YIAHCXYIDMRTEY-INIZCTEOSA-N 2 3 295.471 1.608 20 0 CDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC[N@@H+]1CCCC1(C)C ZINC000849039094 693153314 /nfs/dbraw/zinc/15/33/14/693153314.db2.gz HTCKURRTCQMRBR-CQSZACIVSA-N 2 3 295.475 1.459 20 0 CDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC[N@H+]1CCCC1(C)C ZINC000849039094 693153318 /nfs/dbraw/zinc/15/33/18/693153318.db2.gz HTCKURRTCQMRBR-CQSZACIVSA-N 2 3 295.475 1.459 20 0 CDADHP C[C@H]1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C[NH3+] ZINC000923375057 923790661 /nfs/dbraw/zinc/79/06/61/923790661.db2.gz GRJHWPHJZFJIEQ-QQOZWVEPSA-N 2 3 265.445 1.824 20 0 CDADHP C[C@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1CN ZINC000923375057 923790670 /nfs/dbraw/zinc/79/06/70/923790670.db2.gz GRJHWPHJZFJIEQ-QQOZWVEPSA-N 2 3 265.445 1.824 20 0 CDADHP C[C@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1CN ZINC000923375057 923790679 /nfs/dbraw/zinc/79/06/79/923790679.db2.gz GRJHWPHJZFJIEQ-QQOZWVEPSA-N 2 3 265.445 1.824 20 0 CDADHP [NH3+]C1CCN(c2cccc(N[C@H]3CCC[C@@H]([NH3+])C3)n2)CC1 ZINC001154986208 937616882 /nfs/dbraw/zinc/61/68/82/937616882.db2.gz FZOAWICJVAUTNT-KGLIPLIRSA-N 2 3 289.427 1.691 20 0 CDADHP CCC[NH+]1CCC(C[NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925492796 932892718 /nfs/dbraw/zinc/89/27/18/932892718.db2.gz INIHNMNNHBUBOC-OAHLLOKOSA-N 2 3 265.445 1.983 20 0 CDADHP CC1(C[N@@H+]2CC[C@@]3(C2)CNCC[C@H]3F)CC[NH2+]CC1 ZINC001235407010 944145599 /nfs/dbraw/zinc/14/55/99/944145599.db2.gz SBSSTBFYVBQLQT-HIFRSBDPSA-N 2 3 269.408 1.400 20 0 CDADHP CC1(C[N@H+]2CC[C@@]3(C2)CNCC[C@H]3F)CC[NH2+]CC1 ZINC001235407010 944145602 /nfs/dbraw/zinc/14/56/02/944145602.db2.gz SBSSTBFYVBQLQT-HIFRSBDPSA-N 2 3 269.408 1.400 20 0 CDADHP C(C[NH+]1CCC(C2CC[NH2+]CC2)CC1)[C@H]1CNCCO1 ZINC001235702125 944255895 /nfs/dbraw/zinc/25/58/95/944255895.db2.gz KIDVZCPZSKUYOW-INIZCTEOSA-N 2 3 281.444 1.077 20 0 CDADHP C[C@H]1C[NH2+]C[C@@H](C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC001246100672 947951302 /nfs/dbraw/zinc/95/13/02/947951302.db2.gz OUARXFXPZRKXTD-FVPDABNVSA-N 2 3 265.445 1.837 20 0 CDADHP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC001246100681 947951157 /nfs/dbraw/zinc/95/11/57/947951157.db2.gz OUARXFXPZRKXTD-XFIYOXNOSA-N 2 3 265.445 1.837 20 0 CDADHP C[C@H]1C[C@@H]([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246136105 947979140 /nfs/dbraw/zinc/97/91/40/947979140.db2.gz UCJQLZHCPUTJTL-IHRRRGAJSA-N 2 3 251.418 1.639 20 0 CDADHP CC[C@@H]1CC(NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)C[C@@H](CC)[NH2+]1 ZINC001246134509 947979494 /nfs/dbraw/zinc/97/94/94/947979494.db2.gz NLPAXBNURNEORV-DFMBRWPFSA-N 2 3 281.444 1.262 20 0 CDADHP CC(C)[NH+]1CCC(C[NH2+][C@H]2CCN[C@H](C)C2)CC1 ZINC001246188454 948021096 /nfs/dbraw/zinc/02/10/96/948021096.db2.gz JFRAERZDRWNJKI-HIFRSBDPSA-N 2 3 253.434 1.837 20 0 CDADHP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001246206002 948026637 /nfs/dbraw/zinc/02/66/37/948026637.db2.gz WANLTNTWVAPCMM-YHNBSYBMSA-N 2 3 281.444 1.489 20 0 CDADHP C[C@@H]1CNCC[C@H]1[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246209683 948028558 /nfs/dbraw/zinc/02/85/58/948028558.db2.gz IHVPMERDACCSRE-YHNBSYBMSA-N 2 3 265.445 1.886 20 0 CDADHP CC[NH+](CC)CCC[C@H](C)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246418423 948164960 /nfs/dbraw/zinc/16/49/60/948164960.db2.gz QVCAPPVZVGRDBZ-KBPBESRZSA-N 2 3 286.464 1.069 20 0 CDADHP C[C@H]1CC([NH2+]C[C@H]2CCC[C@@H](C[NH3+])C2)C[C@H](C)N1 ZINC001246457651 948184999 /nfs/dbraw/zinc/18/49/99/948184999.db2.gz PJFLECCZSQMWSM-FQUUOJAGSA-N 2 3 253.434 1.870 20 0 CDADHP CC[C@@H]1C[C@@H](N2CCC[C@@](F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246552219 948260401 /nfs/dbraw/zinc/26/04/01/948260401.db2.gz SZHZCLYQWOVJGD-RDBSUJKOSA-N 2 3 257.397 1.670 20 0 CDADHP C1[NH2+]CC12C[C@H]([N@@H+]1CCC[C@@]13CCCNC3)CS2 ZINC001246606440 948340326 /nfs/dbraw/zinc/34/03/26/948340326.db2.gz FKFWFNCOYJJFAM-QWHCGFSZSA-N 2 3 267.442 1.052 20 0 CDADHP C1[NH2+]CC12C[C@H]([N@H+]1CCC[C@@]13CCCNC3)CS2 ZINC001246606440 948340334 /nfs/dbraw/zinc/34/03/34/948340334.db2.gz FKFWFNCOYJJFAM-QWHCGFSZSA-N 2 3 267.442 1.052 20 0 CDADHP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CCN1 ZINC001246641959 948378864 /nfs/dbraw/zinc/37/88/64/948378864.db2.gz ALSZSOKQPKIVAK-KBMXLJTQSA-N 2 3 265.445 1.981 20 0 CDADHP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CCN1 ZINC001246641959 948378874 /nfs/dbraw/zinc/37/88/74/948378874.db2.gz ALSZSOKQPKIVAK-KBMXLJTQSA-N 2 3 265.445 1.981 20 0 CDADHP C(C1CC[NH2+]CC1)C1CC[NH+](C2CCNCC2)CC1 ZINC001246979094 948558146 /nfs/dbraw/zinc/55/81/46/948558146.db2.gz MCQUJXFJVSEGCN-UHFFFAOYSA-N 2 3 265.445 1.840 20 0 CDADHP C(C1CC[NH2+]CC1)C1CCN(C2CC[NH2+]CC2)CC1 ZINC001246979094 948558148 /nfs/dbraw/zinc/55/81/48/948558148.db2.gz MCQUJXFJVSEGCN-UHFFFAOYSA-N 2 3 265.445 1.840 20 0 CDADHP N[C@H]1CCCC[C@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC001552414205 964232408 /nfs/dbraw/zinc/23/24/08/964232408.db2.gz CDQMEQKCQFQFCP-JKSUJKDBSA-N 2 3 259.397 1.692 20 0 CDADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC001553024556 964485881 /nfs/dbraw/zinc/48/58/81/964485881.db2.gz HZLPYVSYXZBXSJ-HTOAHKCRSA-N 2 3 251.418 1.480 20 0 CDADHP NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000580312063 366058782 /nfs/dbraw/zinc/05/87/82/366058782.db2.gz HHSKOWSWBAYXPN-ZQDZILKHSA-N 2 3 251.418 1.482 20 0 CDADHP C[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CC[NH+](C)CC1 ZINC000643545773 356004924 /nfs/dbraw/zinc/00/49/24/356004924.db2.gz CDVHNRJTHXUEGL-HIFRSBDPSA-N 2 3 265.445 1.981 20 0 CDADHP CSC1(CN[C@@H](C)[C@H]2CCCC[NH2+]2)CC[NH+](C)CC1 ZINC000423123100 359751120 /nfs/dbraw/zinc/75/11/20/359751120.db2.gz MASDVEVFANDJOM-UONOGXRCSA-N 2 3 285.501 1.934 20 0 CDADHP C[C@H](C[C@H]1CCCCC[NH2+]1)NCCCN1CC[NH2+]CC1 ZINC000414786392 366858566 /nfs/dbraw/zinc/85/85/66/366858566.db2.gz AYQBBVKAMVNJDL-HZPDHXFCSA-N 2 3 282.476 1.182 20 0 CDADHP C[C@H]([NH3+])C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000420303116 244052830 /nfs/dbraw/zinc/05/28/30/244052830.db2.gz WWLAJCFBLLCHHV-AWEZNQCLSA-N 2 3 253.434 1.922 20 0 CDADHP CCN(C)C[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420323157 284353271 /nfs/dbraw/zinc/35/32/71/284353271.db2.gz TZWADPNQPGQLQD-LSDHHAIUSA-N 2 3 253.434 1.650 20 0 CDADHP CCN(C)C[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420323157 284353273 /nfs/dbraw/zinc/35/32/73/284353273.db2.gz TZWADPNQPGQLQD-LSDHHAIUSA-N 2 3 253.434 1.650 20 0 CDADHP CC[N@H+](C)C[C@H]1CCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420323157 284353275 /nfs/dbraw/zinc/35/32/75/284353275.db2.gz TZWADPNQPGQLQD-LSDHHAIUSA-N 2 3 253.434 1.650 20 0 CDADHP CC[N@@H+](C)C[C@H]1CCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420323157 284353277 /nfs/dbraw/zinc/35/32/77/284353277.db2.gz TZWADPNQPGQLQD-LSDHHAIUSA-N 2 3 253.434 1.650 20 0 CDADHP NC[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)CC12CCOCC2 ZINC000647986587 391625170 /nfs/dbraw/zinc/62/51/70/391625170.db2.gz KRSWHRADJNIGMO-INIZCTEOSA-N 2 3 295.471 1.454 20 0 CDADHP NC[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CC12CCOCC2 ZINC000647986587 391625173 /nfs/dbraw/zinc/62/51/73/391625173.db2.gz KRSWHRADJNIGMO-INIZCTEOSA-N 2 3 295.471 1.454 20 0 CDADHP NCC[C@@H]1CCCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647964778 391910519 /nfs/dbraw/zinc/91/05/19/391910519.db2.gz CQUUSWMDZWEZLD-HNNXBMFYSA-N 2 3 253.434 1.970 20 0 CDADHP NCC[C@@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647964778 391910523 /nfs/dbraw/zinc/91/05/23/391910523.db2.gz CQUUSWMDZWEZLD-HNNXBMFYSA-N 2 3 253.434 1.970 20 0 CDADHP [NH3+]CC[C@@H]1CCCCN1CCCC1CC[NH2+]CC1 ZINC000647964778 391910525 /nfs/dbraw/zinc/91/05/25/391910525.db2.gz CQUUSWMDZWEZLD-HNNXBMFYSA-N 2 3 253.434 1.970 20 0 CDADHP C[C@H](CCC[NH3+])[NH2+]Cc1ccncc1OCCN(C)C ZINC000423118419 392359141 /nfs/dbraw/zinc/35/91/41/392359141.db2.gz ALUHLGDGQZYSLD-CYBMUJFWSA-N 2 3 280.416 1.239 20 0 CDADHP C[C@H](NCCCC[N@H+](C)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000423165747 392404239 /nfs/dbraw/zinc/40/42/39/392404239.db2.gz QFOPGCQZFOSKLB-ZFWWWQNUSA-N 2 3 253.434 1.981 20 0 CDADHP C[C@H](NCCCC[N@@H+](C)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000423165747 392404246 /nfs/dbraw/zinc/40/42/46/392404246.db2.gz QFOPGCQZFOSKLB-ZFWWWQNUSA-N 2 3 253.434 1.981 20 0 CDADHP CCOCCCN1CC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)[C@@H](C)C1 ZINC000422739858 286064668 /nfs/dbraw/zinc/06/46/68/286064668.db2.gz ANPBQKQBJSXHQJ-ULQDDVLXSA-N 2 3 297.487 1.855 20 0 CDADHP [NH3+][C@H]1CCC[C@H](NCc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000656786567 413665996 /nfs/dbraw/zinc/66/59/96/413665996.db2.gz NPVPXKNAEGRGBS-HOTGVXAUSA-N 2 3 259.397 1.692 20 0 CDADHP C[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)[C@@H]1CCN ZINC000652355906 424303196 /nfs/dbraw/zinc/30/31/96/424303196.db2.gz LZFWEBMNDHARLP-RBSFLKMASA-N 2 3 253.434 1.825 20 0 CDADHP C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@@H]1CCN ZINC000652355906 424303200 /nfs/dbraw/zinc/30/32/00/424303200.db2.gz LZFWEBMNDHARLP-RBSFLKMASA-N 2 3 253.434 1.825 20 0 CDADHP CC(C)N(C)CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401148841 424428686 /nfs/dbraw/zinc/42/86/86/424428686.db2.gz WBUDZRSKFYODIU-QLFBSQMISA-N 2 3 253.434 1.694 20 0 CDADHP CC[NH+](CC)CCOCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000565226239 293569823 /nfs/dbraw/zinc/56/98/23/293569823.db2.gz LPYMSFCVKOFQND-KGLIPLIRSA-N 2 3 257.422 1.204 20 0 CDADHP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000583806649 325244047 /nfs/dbraw/zinc/24/40/47/325244047.db2.gz LWNWHFDLRHQZRS-XDKFSHSGSA-N 2 3 287.451 1.923 20 0 CDADHP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925622875 617569571 /nfs/dbraw/zinc/56/95/71/617569571.db2.gz NLJJZHHXNHRNDB-HZPDHXFCSA-N 2 3 295.471 1.201 20 0 CDADHP CN(C)[C@H]1CCC[N@H+](CC2CC[NH+](C)CC2)CC1 ZINC000894038533 618277477 /nfs/dbraw/zinc/27/74/77/618277477.db2.gz ZKDUGYVMSWAEGG-HNNXBMFYSA-N 2 3 253.434 1.744 20 0 CDADHP CN(C)[C@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)CC1 ZINC000894038533 618277491 /nfs/dbraw/zinc/27/74/91/618277491.db2.gz ZKDUGYVMSWAEGG-HNNXBMFYSA-N 2 3 253.434 1.744 20 0 CDADHP CCN1CCC[C@H]1CNC(=[NH2+])NCC1(C)CC[NH+](C)CC1 ZINC000849016530 695880276 /nfs/dbraw/zinc/88/02/76/695880276.db2.gz NYLUWRVUFBCNNQ-AWEZNQCLSA-N 2 3 295.475 1.317 20 0 CDADHP NC[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260524 723959431 /nfs/dbraw/zinc/95/94/31/723959431.db2.gz CHVNNDAIWDJNKM-QMIVOQANSA-N 2 3 251.418 1.624 20 0 CDADHP [NH3+][C@@H]1CCC[C@@H](NCc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873213008 725987300 /nfs/dbraw/zinc/98/73/00/725987300.db2.gz UHVRDFZOVUCQEN-VXGBXAGGSA-N 2 3 265.426 1.753 20 0 CDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCCCC1 ZINC000848982556 724740057 /nfs/dbraw/zinc/74/00/57/724740057.db2.gz ADJFXOGTGNTPGS-OAHLLOKOSA-N 2 3 295.475 1.461 20 0 CDADHP C[C@@H]1CN(C2CCC3(CC[NH2+]CC3)CC2)C[C@H]1[NH3+] ZINC001246563152 931792106 /nfs/dbraw/zinc/79/21/06/931792106.db2.gz PAMNZXGQMHNXEM-TZMCWYRMSA-N 2 3 251.418 1.578 20 0 CDADHP CN(C)CC(C)(C)C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001207287277 940176330 /nfs/dbraw/zinc/17/63/30/940176330.db2.gz APVOWZFYIHNCLT-UHFFFAOYSA-N 2 3 253.434 1.602 20 0 CDADHP CC1(CN2CCOC[C@@]3(CCC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001235004876 944005249 /nfs/dbraw/zinc/00/52/49/944005249.db2.gz CRXNZZGIGNFNAC-MRXNPFEDSA-N 2 3 281.444 1.078 20 0 CDADHP [NH3+]C[C@H]1CCCN(Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001235675872 944244578 /nfs/dbraw/zinc/24/45/78/944244578.db2.gz MQQLZNGTYWYJGZ-CQSZACIVSA-N 2 3 298.434 1.915 20 0 CDADHP c1cc2c(cc1CN1CC3(C1)CCC[NH2+]CC3)C[NH2+]CC2 ZINC001236004805 944371012 /nfs/dbraw/zinc/37/10/12/944371012.db2.gz GIZYFNIWJLNYNU-UHFFFAOYSA-N 2 3 285.435 1.908 20 0 CDADHP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C[C@H]2C)CCN1 ZINC001246094248 947944618 /nfs/dbraw/zinc/94/46/18/947944618.db2.gz DRCBIGCTBVWYDT-KBUPBQIOSA-N 2 3 253.434 1.742 20 0 CDADHP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C[C@@H]2C)CCN1 ZINC001246094245 947945394 /nfs/dbraw/zinc/94/53/94/947945394.db2.gz DRCBIGCTBVWYDT-GBJTYRQASA-N 2 3 253.434 1.742 20 0 CDADHP C[C@@H]1C[NH2+]CCC[C@@H]1C[NH2+][C@@H]1CCNC(C)(C)C1 ZINC001246098190 947949640 /nfs/dbraw/zinc/94/96/40/947949640.db2.gz PWMHSQAJVMITCZ-MGPQQGTHSA-N 2 3 253.434 1.742 20 0 CDADHP COCCC1(CN[C@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]CC1 ZINC001246368555 948139712 /nfs/dbraw/zinc/13/97/12/948139712.db2.gz FVZSVHRIGVJPRN-KBPBESRZSA-N 2 3 269.433 1.123 20 0 CDADHP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+]C2CCNCC2)CC1 ZINC001246503813 948214661 /nfs/dbraw/zinc/21/46/61/948214661.db2.gz NQBNNMFJMFRPIG-OTVXOJSOSA-N 2 3 253.434 1.981 20 0 CDADHP CCC[NH+]1CCC(N2CCC[C@](O)(C[NH3+])CC2)CC1 ZINC001246542755 948246840 /nfs/dbraw/zinc/24/68/40/948246840.db2.gz KYIJKUYMMCMBKQ-OAHLLOKOSA-N 2 3 269.433 1.037 20 0 CDADHP [NH3+]C[C@]1(F)CCC[N@@H+]([C@@H]2CCNC3(CCC3)C2)CC1 ZINC001246545196 948248628 /nfs/dbraw/zinc/24/86/28/948248628.db2.gz AMJRSTJYZUMDQI-KGLIPLIRSA-N 2 3 269.408 1.814 20 0 CDADHP [NH3+]C[C@]1(F)CCC[N@H+]([C@@H]2CCNC3(CCC3)C2)CC1 ZINC001246545196 948248641 /nfs/dbraw/zinc/24/86/41/948248641.db2.gz AMJRSTJYZUMDQI-KGLIPLIRSA-N 2 3 269.408 1.814 20 0 CDADHP C[N@H+](C[C@@H]1CCCNC1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246840605 948469483 /nfs/dbraw/zinc/46/94/83/948469483.db2.gz IXBDWIKLBHOART-PMPSAXMXSA-N 2 3 265.445 1.840 20 0 CDADHP C[N@@H+](C[C@@H]1CCCNC1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246840605 948469488 /nfs/dbraw/zinc/46/94/88/948469488.db2.gz IXBDWIKLBHOART-PMPSAXMXSA-N 2 3 265.445 1.840 20 0 CDADHP CC(C)[C@H]1C[C@@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCN1 ZINC001246931013 948528078 /nfs/dbraw/zinc/52/80/78/948528078.db2.gz MEDYOVNWQPYUGG-XUWVNRHRSA-N 2 3 265.445 1.694 20 0 CDADHP CC(C)[C@H]1C[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCN1 ZINC001246931013 948528082 /nfs/dbraw/zinc/52/80/82/948528082.db2.gz MEDYOVNWQPYUGG-XUWVNRHRSA-N 2 3 265.445 1.694 20 0 CDADHP [NH3+]CC1CC([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC001553290606 964614017 /nfs/dbraw/zinc/61/40/17/964614017.db2.gz BEGMXOSVTNJEJO-UZVIJOLCSA-N 2 3 251.418 1.482 20 0 CDADHP [NH3+]C[C@]12CCC[C@@H]1CN(C[C@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC001550702552 966157766 /nfs/dbraw/zinc/15/77/66/966157766.db2.gz NQTCEMQTIYVMOQ-INMHGKMJSA-N 2 3 293.455 1.206 20 0 CDADHP CC1([NH+]2CCOCC2)CCC([NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC001551379869 966591747 /nfs/dbraw/zinc/59/17/47/966591747.db2.gz LUKPJBARDKDPIG-GYXIZQIFSA-N 2 3 295.471 1.737 20 0 CDADHP CSC1(C[NH2+][C@@H]2CCCC[C@@H]2CN)CC[NH+](C)CC1 ZINC000423118976 359751250 /nfs/dbraw/zinc/75/12/50/359751250.db2.gz AVVZNVLMOUYDKG-ZIAGYGMSSA-N 2 3 285.501 1.921 20 0 CDADHP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCCN1CC[NH2+]CC1 ZINC000414786391 296000324 /nfs/dbraw/zinc/00/03/24/296000324.db2.gz AYQBBVKAMVNJDL-HOTGVXAUSA-N 2 3 282.476 1.182 20 0 CDADHP COc1ccc([C@H](C[NH3+])CN2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000420304538 244055136 /nfs/dbraw/zinc/05/51/36/244055136.db2.gz YDLQRODOWNEUCT-XJKSGUPXSA-N 2 3 291.439 1.797 20 0 CDADHP C[N@@H+]1CCC[C@@H](N2CCN(CCC3CC[NH2+]CC3)CC2)C1 ZINC000649414596 392201699 /nfs/dbraw/zinc/20/16/99/392201699.db2.gz KISPENBKJJEUHJ-QGZVFWFLSA-N 2 3 294.487 1.088 20 0 CDADHP C[N@H+]1CCC[C@@H](N2CCN(CCC3CC[NH2+]CC3)CC2)C1 ZINC000649414596 392201704 /nfs/dbraw/zinc/20/17/04/392201704.db2.gz KISPENBKJJEUHJ-QGZVFWFLSA-N 2 3 294.487 1.088 20 0 CDADHP c1cc(N2CCN(CC[C@H]3CC[NH2+]C3)CC2)cc[nH+]1 ZINC000649414757 392203233 /nfs/dbraw/zinc/20/32/33/392203233.db2.gz VSNGMXYJQBJEDM-CQSZACIVSA-N 2 3 260.385 1.203 20 0 CDADHP C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)[C@@H]1CCCC[NH2+]1 ZINC000422982877 392273456 /nfs/dbraw/zinc/27/34/56/392273456.db2.gz XXOYUJCQBMHYOK-JYJNAYRXSA-N 2 3 283.460 1.344 20 0 CDADHP C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)[C@@H]1CCCC[NH2+]1 ZINC000422982877 392273462 /nfs/dbraw/zinc/27/34/62/392273462.db2.gz XXOYUJCQBMHYOK-JYJNAYRXSA-N 2 3 283.460 1.344 20 0 CDADHP C([C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1)N1CCCCC1 ZINC000178982006 140010595 /nfs/dbraw/zinc/01/05/95/140010595.db2.gz ZINXAZQTFQVXNI-INIZCTEOSA-N 2 3 265.445 1.794 20 0 CDADHP C([C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1)N1CCCCC1 ZINC000178982006 140010596 /nfs/dbraw/zinc/01/05/96/140010596.db2.gz ZINXAZQTFQVXNI-INIZCTEOSA-N 2 3 265.445 1.794 20 0 CDADHP CCOCCCN1CC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)[C@H](C)C1 ZINC000422739657 286064698 /nfs/dbraw/zinc/06/46/98/286064698.db2.gz ANPBQKQBJSXHQJ-IKGGRYGDSA-N 2 3 297.487 1.855 20 0 CDADHP C[C@@]1(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000656783689 413651031 /nfs/dbraw/zinc/65/10/31/413651031.db2.gz UJFQEIKDSWQEPT-HZPDHXFCSA-N 2 3 265.445 1.698 20 0 CDADHP CC[NH+](CC)CCOCCN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000349667250 279109318 /nfs/dbraw/zinc/10/93/18/279109318.db2.gz PFWXUGYVZFWJLP-HRCADAONSA-N 2 3 285.476 1.663 20 0 CDADHP CC[NH+](CC)CCOCCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000349667250 279109320 /nfs/dbraw/zinc/10/93/20/279109320.db2.gz PFWXUGYVZFWJLP-HRCADAONSA-N 2 3 285.476 1.663 20 0 CDADHP CC[NH+]1CCC(C[NH2+][C@@H]2CCNCC[C@@H]2C)CC1 ZINC000567641221 293827678 /nfs/dbraw/zinc/82/76/78/293827678.db2.gz OWORJVNZHRRRAH-DZGCQCFKSA-N 2 3 253.434 1.696 20 0 CDADHP [NH3+]CC[C@@H]1CCCCN1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903748846 626071511 /nfs/dbraw/zinc/07/15/11/626071511.db2.gz BPGRAJXFCYFIBD-GJZGRUSLSA-N 2 3 281.444 1.348 20 0 CDADHP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000903752765 626073844 /nfs/dbraw/zinc/07/38/44/626073844.db2.gz WMWWHIQZDDJTFR-TWMKSMIVSA-N 2 3 293.455 1.219 20 0 CDADHP C([C@H]1CCCC[NH2+]C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000903752712 626073847 /nfs/dbraw/zinc/07/38/47/626073847.db2.gz UQJXRFDMMXMASA-HOCLYGCPSA-N 2 3 265.445 1.840 20 0 CDADHP [NH3+][C@@H]1CCCC[C@H]1NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903764277 626083036 /nfs/dbraw/zinc/08/30/36/626083036.db2.gz QRGSGRVWEJLECW-MGPQQGTHSA-N 2 3 267.417 1.005 20 0 CDADHP [NH3+]CCCCCCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000846220018 726402631 /nfs/dbraw/zinc/40/26/31/726402631.db2.gz IXZSOSJMLQQLSN-HNNXBMFYSA-N 2 3 253.434 1.923 20 0 CDADHP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cc3c(s2)CCNC3)C1 ZINC000873211499 727411164 /nfs/dbraw/zinc/41/11/64/727411164.db2.gz AGSXGXRMONCOOX-ZYHUDNBSSA-N 2 3 265.426 1.611 20 0 CDADHP CC1(C[NH2+]Cc2cc3c(s2)CCNC3)CC[NH2+]CC1 ZINC000873212999 1165524166 /nfs/dbraw/zinc/52/41/66/1165524166.db2.gz UAQIQUCVJLGSEZ-UHFFFAOYSA-N 2 3 279.453 1.873 20 0 CDADHP C[C@@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)CCC[C@@H]1C[NH3+] ZINC001206024126 928486230 /nfs/dbraw/zinc/48/62/30/928486230.db2.gz HWJIOBIGTZHRDJ-VXGBXAGGSA-N 2 3 294.468 1.596 20 0 CDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC[C@H](C[NH3+])[C@H]1C ZINC001157845637 938554197 /nfs/dbraw/zinc/55/41/97/938554197.db2.gz DZENAESDWYOOIF-KFWWJZLASA-N 2 3 298.475 1.068 20 0 CDADHP CN(C1CC1)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001207440991 940196551 /nfs/dbraw/zinc/19/65/51/940196551.db2.gz NECKYRMEXKOYSI-UHFFFAOYSA-N 2 3 251.418 1.545 20 0 CDADHP C[N@H+](C1CC1)C1CCN(CC2CC[NH2+]CC2)CC1 ZINC001207440991 940196552 /nfs/dbraw/zinc/19/65/52/940196552.db2.gz NECKYRMEXKOYSI-UHFFFAOYSA-N 2 3 251.418 1.545 20 0 CDADHP C[N@@H+](C1CC1)C1CCN(CC2CC[NH2+]CC2)CC1 ZINC001207440991 940196553 /nfs/dbraw/zinc/19/65/53/940196553.db2.gz NECKYRMEXKOYSI-UHFFFAOYSA-N 2 3 251.418 1.545 20 0 CDADHP C[NH2+]C1CCC([N@H+](C)CC[C@@H]2CCCCN2)CC1 ZINC001236213943 944431811 /nfs/dbraw/zinc/43/18/11/944431811.db2.gz ZEPZWKSFEUFBOA-SLTAFYQDSA-N 2 3 253.434 1.981 20 0 CDADHP C[NH2+]C1CCC([N@@H+](C)CC[C@@H]2CCCCN2)CC1 ZINC001236213943 944431815 /nfs/dbraw/zinc/43/18/15/944431815.db2.gz ZEPZWKSFEUFBOA-SLTAFYQDSA-N 2 3 253.434 1.981 20 0 CDADHP CCC[NH+]1CCC(N2CCN(CCCC[NH3+])CC2)CC1 ZINC001258770963 945407300 /nfs/dbraw/zinc/40/73/00/945407300.db2.gz RZPDLGATCKPGIZ-UHFFFAOYSA-N 2 3 282.476 1.217 20 0 CDADHP CCC(CC)N1CCC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246348944 948123202 /nfs/dbraw/zinc/12/32/02/948123202.db2.gz GIQFRQTWUNSDNC-OAHLLOKOSA-N 2 3 294.487 1.323 20 0 CDADHP C(N[C@H]1CCCC[NH2+]C1)C1(CC2CC2)CC[NH2+]CC1 ZINC001246384743 948148582 /nfs/dbraw/zinc/14/85/82/948148582.db2.gz PDRUUHRKTCTPAW-HNNXBMFYSA-N 2 3 265.445 1.888 20 0 CDADHP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CC[C@H]1C[NH3+] ZINC001246555289 948261803 /nfs/dbraw/zinc/26/18/03/948261803.db2.gz DJSRDJSWHBXICC-LEOABGAYSA-N 2 3 265.445 1.966 20 0 CDADHP C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CC[C@H]1C[NH3+] ZINC001246555289 948261812 /nfs/dbraw/zinc/26/18/12/948261812.db2.gz DJSRDJSWHBXICC-LEOABGAYSA-N 2 3 265.445 1.966 20 0 CDADHP C1CC[N@H+](C2CCNCC2)[C@H](C2CC[NH2+]CC2)C1 ZINC001246642509 948379208 /nfs/dbraw/zinc/37/92/08/948379208.db2.gz BYLPFGZOZQILKI-HNNXBMFYSA-N 2 3 251.418 1.593 20 0 CDADHP C1CC[N@@H+](C2CCNCC2)[C@H](C2CC[NH2+]CC2)C1 ZINC001246642509 948379215 /nfs/dbraw/zinc/37/92/15/948379215.db2.gz BYLPFGZOZQILKI-HNNXBMFYSA-N 2 3 251.418 1.593 20 0 CDADHP C[N@H+](C[C@H]1CCCNC1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246839444 948470006 /nfs/dbraw/zinc/47/00/06/948470006.db2.gz BIRAACGKDQIXJY-GJZGRUSLSA-N 2 3 265.445 1.840 20 0 CDADHP C[N@@H+](C[C@H]1CCCNC1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246839444 948470009 /nfs/dbraw/zinc/47/00/09/948470009.db2.gz BIRAACGKDQIXJY-GJZGRUSLSA-N 2 3 265.445 1.840 20 0 CDADHP NC[C@@]12CCC[C@H]1C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001550351683 965872565 /nfs/dbraw/zinc/87/25/65/965872565.db2.gz VBMXHPLSSFKTFW-XRMFNRFGSA-N 2 3 263.429 1.578 20 0 CDADHP NC[C@@]12CCC[C@H]1C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001550351683 965872571 /nfs/dbraw/zinc/87/25/71/965872571.db2.gz VBMXHPLSSFKTFW-XRMFNRFGSA-N 2 3 263.429 1.578 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H]1CN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC001550350207 965873279 /nfs/dbraw/zinc/87/32/79/965873279.db2.gz KNCBYTQPNCZDIY-IBEHDNSVSA-N 2 3 281.444 1.203 20 0 CDADHP C[C@H]([NH2+][C@@H](C)[C@H]1CCCNC1)C1CC[NH+](C)CC1 ZINC000643503402 539080640 /nfs/dbraw/zinc/08/06/40/539080640.db2.gz NOCHWTXJUUXHDD-YDHLFZDLSA-N 2 3 253.434 1.694 20 0 CDADHP C[C@@H]([NH2+][C@H]1CCNC12CCC2)C1CC[NH+](C)CC1 ZINC000629521479 362136140 /nfs/dbraw/zinc/13/61/40/362136140.db2.gz SVDPNEMEWXZXNC-OCCSQVGLSA-N 2 3 251.418 1.591 20 0 CDADHP NC[C@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(F)cc1 ZINC000424285285 359990788 /nfs/dbraw/zinc/99/07/88/359990788.db2.gz OWHWXZPFNOKJBE-OWCLPIDISA-N 2 3 291.414 1.799 20 0 CDADHP NC[C@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(F)cc1 ZINC000424285285 359990793 /nfs/dbraw/zinc/99/07/93/359990793.db2.gz OWHWXZPFNOKJBE-OWCLPIDISA-N 2 3 291.414 1.799 20 0 CDADHP CCO[C@H](CC[NH+](C)C)CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422864674 245350909 /nfs/dbraw/zinc/35/09/09/245350909.db2.gz NNOYINIJZHWLMK-RBSFLKMASA-N 2 3 271.449 1.321 20 0 CDADHP C[C@H]([NH3+])C[C@H](C)NCc1cccc(OCC[NH+](C)C)c1 ZINC000422896868 245381276 /nfs/dbraw/zinc/38/12/76/245381276.db2.gz IUTNJFRNWJJVGM-KBPBESRZSA-N 2 3 279.428 1.842 20 0 CDADHP C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000581256135 372902607 /nfs/dbraw/zinc/90/26/07/372902607.db2.gz NHAWOCAAFNNNJW-TZMCWYRMSA-N 2 3 259.397 1.501 20 0 CDADHP C[NH+](C)CCOCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000447596815 250391731 /nfs/dbraw/zinc/39/17/31/250391731.db2.gz DNMRTKQDJCTQTM-UHFFFAOYSA-N 2 3 271.449 1.417 20 0 CDADHP C([C@H]1CCC[NH2+]C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000334852795 391965856 /nfs/dbraw/zinc/96/58/56/391965856.db2.gz ZYEIQMPXBPIGTM-DZGCQCFKSA-N 2 3 251.418 1.450 20 0 CDADHP C([C@H]1CCCNC1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000334852795 391965859 /nfs/dbraw/zinc/96/58/59/391965859.db2.gz ZYEIQMPXBPIGTM-DZGCQCFKSA-N 2 3 251.418 1.450 20 0 CDADHP C(C[NH+]1CCCC1)OC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000649413804 392193358 /nfs/dbraw/zinc/19/33/58/392193358.db2.gz HCXICTKSAWNJAQ-HNNXBMFYSA-N 2 3 281.444 1.173 20 0 CDADHP C(O[C@@H]1CC[NH2+]C1)C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000530238291 271177684 /nfs/dbraw/zinc/17/76/84/271177684.db2.gz MFMIMPZSYGURPS-HZPDHXFCSA-N 2 3 281.444 1.077 20 0 CDADHP C(O[C@@H]1CC[NH2+]C1)C1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000530238291 271177688 /nfs/dbraw/zinc/17/76/88/271177688.db2.gz MFMIMPZSYGURPS-HZPDHXFCSA-N 2 3 281.444 1.077 20 0 CDADHP C[NH+](C)CCOCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000261569321 289170333 /nfs/dbraw/zinc/17/03/33/289170333.db2.gz MKPIOLODATYECJ-RBSFLKMASA-N 2 3 269.433 1.075 20 0 CDADHP CCN(CC)CCC[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349163 482463937 /nfs/dbraw/zinc/46/39/37/482463937.db2.gz CWULRMIHCDGICV-ULQDDVLXSA-N 2 3 297.487 1.937 20 0 CDADHP CCN(CC)CCC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349163 482463938 /nfs/dbraw/zinc/46/39/38/482463938.db2.gz CWULRMIHCDGICV-ULQDDVLXSA-N 2 3 297.487 1.937 20 0 CDADHP CC1CC[NH+](C2CCC([NH2+]CCCN)CC2)CC1 ZINC000415106777 483300772 /nfs/dbraw/zinc/30/07/72/483300772.db2.gz NHBMHQSFXGFSKH-UHFFFAOYSA-N 2 3 253.434 1.968 20 0 CDADHP CC[NH+](CC)C[C@H]1CCN(CC2CC[NH+](C)CC2)C1 ZINC000892121783 617492535 /nfs/dbraw/zinc/49/25/35/617492535.db2.gz QSOVIICGXMWBTR-MRXNPFEDSA-N 2 3 267.461 1.992 20 0 CDADHP C(O[C@@H]1CC[NH2+]C1)C1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903775303 626090002 /nfs/dbraw/zinc/09/00/02/626090002.db2.gz KCPDCEUPVNRCPI-IAGOWNOFSA-N 2 3 295.471 1.467 20 0 CDADHP C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292193 1165536949 /nfs/dbraw/zinc/53/69/49/1165536949.db2.gz PADUCBHQTCCPHL-OAGGEKHMSA-N 2 3 293.455 1.362 20 0 CDADHP C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292193 1165536955 /nfs/dbraw/zinc/53/69/55/1165536955.db2.gz PADUCBHQTCCPHL-OAGGEKHMSA-N 2 3 293.455 1.362 20 0 CDADHP [NH3+]C1CC(C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925729793 729989180 /nfs/dbraw/zinc/98/91/80/729989180.db2.gz MBWTWJNIEQSLQX-UZVIJOLCSA-N 2 3 251.418 1.482 20 0 CDADHP CCOC(=O)[C@@H]1CCC[C@@H](NCCC[NH2+]CCCC[NH3+])C1 ZINC001246456594 931499738 /nfs/dbraw/zinc/49/97/38/931499738.db2.gz JSORISNGQQRWTB-HUUCEWRRSA-N 2 3 299.459 1.417 20 0 CDADHP C[C@H](N[C@H]1CC[NH2+]C12CCCC2)C1CC[NH2+]CC1 ZINC000925729021 932933232 /nfs/dbraw/zinc/93/32/32/932933232.db2.gz NWBHJZILKDVQPH-JSGCOSHPSA-N 2 3 251.418 1.639 20 0 CDADHP [NH2+]=C(NCCCC[NH3+])Nc1ccc(CN2CCCC2)cn1 ZINC001157100000 938454568 /nfs/dbraw/zinc/45/45/68/938454568.db2.gz VXOHKJRZULZMQU-UHFFFAOYSA-N 2 3 290.415 1.353 20 0 CDADHP [NH3+]C[C@H]1CCCCN(Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001206616065 940071886 /nfs/dbraw/zinc/07/18/86/940071886.db2.gz NBSXXYWOGDMWCP-OAHLLOKOSA-N 2 3 273.424 1.893 20 0 CDADHP CC1(C[N@@H+]2CCC[C@@]23CCCNC3)CC[NH2+]CC1 ZINC001222231061 941576733 /nfs/dbraw/zinc/57/67/33/941576733.db2.gz IBTKBANRQHRPQQ-OAHLLOKOSA-N 2 3 251.418 1.594 20 0 CDADHP CC1(C[N@H+]2CCC[C@@]23CCCNC3)CC[NH2+]CC1 ZINC001222231061 941576737 /nfs/dbraw/zinc/57/67/37/941576737.db2.gz IBTKBANRQHRPQQ-OAHLLOKOSA-N 2 3 251.418 1.594 20 0 CDADHP CC1(CN2CCC[C@@]23CCC[NH2+]C3)CC[NH2+]CC1 ZINC001222231061 941576741 /nfs/dbraw/zinc/57/67/41/941576741.db2.gz IBTKBANRQHRPQQ-OAHLLOKOSA-N 2 3 251.418 1.594 20 0 CDADHP C(C1CC2(C1)CC[NH2+]CC2)[N@@H+]1CCCC12CCNCC2 ZINC001235141639 944069945 /nfs/dbraw/zinc/06/99/45/944069945.db2.gz USPVGPQMWYBBBP-UHFFFAOYSA-N 2 3 277.456 1.984 20 0 CDADHP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CCCC12CCNCC2 ZINC001235141639 944069950 /nfs/dbraw/zinc/06/99/50/944069950.db2.gz USPVGPQMWYBBBP-UHFFFAOYSA-N 2 3 277.456 1.984 20 0 CDADHP C[C@@H]1C[NH2+]CCC[C@H]1C[NH2+][C@@H]1CCNC(C)(C)C1 ZINC001246098180 947949514 /nfs/dbraw/zinc/94/95/14/947949514.db2.gz PWMHSQAJVMITCZ-HZSPNIEDSA-N 2 3 253.434 1.742 20 0 CDADHP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001246122574 947972478 /nfs/dbraw/zinc/97/24/78/947972478.db2.gz XFKAFEQHKWBTLS-DGXTUMSLSA-N 2 3 265.445 1.837 20 0 CDADHP CC[C@@H]1C[C@H](NC[C@@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)C[C@H](CC)[NH2+]1 ZINC001246134513 947980650 /nfs/dbraw/zinc/98/06/50/947980650.db2.gz NLPAXBNURNEORV-LGFJLYTPSA-N 2 3 281.444 1.262 20 0 CDADHP C[C@@H]1CC[C@@H](NCC[C@H]2CCOC23CC[NH2+]CC3)C[NH2+]1 ZINC001246135575 947980714 /nfs/dbraw/zinc/98/07/14/947980714.db2.gz BIPICMRJUNUTTH-QLFBSQMISA-N 2 3 281.444 1.265 20 0 CDADHP C[C@@H]1C[C@H](NC[C@H]2CCC3(CC[NH2+]CC3)CO2)CC[NH2+]1 ZINC001246171352 948005136 /nfs/dbraw/zinc/00/51/36/948005136.db2.gz JJRABGYNKWGLLG-RBSFLKMASA-N 2 3 281.444 1.265 20 0 CDADHP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)CO2)CCN1 ZINC001246171352 948005143 /nfs/dbraw/zinc/00/51/43/948005143.db2.gz JJRABGYNKWGLLG-RBSFLKMASA-N 2 3 281.444 1.265 20 0 CDADHP C[C@H]1CNCC[C@H]1[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246213133 948031014 /nfs/dbraw/zinc/03/10/14/948031014.db2.gz ZCHPPJSCMZPTFV-DZGCQCFKSA-N 2 3 265.445 1.886 20 0 CDADHP F[C@@H]1CCNC[C@H]1C[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246224635 948038940 /nfs/dbraw/zinc/03/89/40/948038940.db2.gz XWTSVSBAJSOWPP-DZGCQCFKSA-N 2 3 283.435 1.836 20 0 CDADHP COc1ccccc1C[C@H](C)NCCC[NH2+]CCCC[NH3+] ZINC001246454985 948182769 /nfs/dbraw/zinc/18/27/69/948182769.db2.gz CTBNZHOKRUTTJQ-HNNXBMFYSA-N 2 3 293.455 1.934 20 0 CDADHP CC[C@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](C[NH3+])C2)CCN1 ZINC001246457199 948183248 /nfs/dbraw/zinc/18/32/48/948183248.db2.gz OLGCLWFHSPMUJX-CBBWQLFWSA-N 2 3 253.434 1.872 20 0 CDADHP C[C@]1(CN[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCC[NH2+]1 ZINC001246457841 948184776 /nfs/dbraw/zinc/18/47/76/948184776.db2.gz VOQVSWJCAAFEOS-RRFJBIMHSA-N 2 3 251.418 1.640 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CCN1 ZINC001246508161 948215996 /nfs/dbraw/zinc/21/59/96/948215996.db2.gz DLRRRUVXYNQOTM-URGYJCLVSA-N 2 3 253.434 1.837 20 0 CDADHP C[C@@H]1C[N@@H+]([C@H]2CCNC3(CCC3)C2)CCC[C@H]1C[NH3+] ZINC001246567936 948286213 /nfs/dbraw/zinc/28/62/13/948286213.db2.gz NFEHBWIAQYXOBJ-ILXRZTDVSA-N 2 3 265.445 1.968 20 0 CDADHP C[C@@H]1C[N@H+]([C@H]2CCNC3(CCC3)C2)CCC[C@H]1C[NH3+] ZINC001246567936 948286221 /nfs/dbraw/zinc/28/62/21/948286221.db2.gz NFEHBWIAQYXOBJ-ILXRZTDVSA-N 2 3 265.445 1.968 20 0 CDADHP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256678445 948390884 /nfs/dbraw/zinc/39/08/84/948390884.db2.gz WANLTNTWVAPCMM-JWMHWRSXSA-N 2 3 281.444 1.489 20 0 CDADHP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C[C@H](C)N1 ZINC001246929215 948524476 /nfs/dbraw/zinc/52/44/76/948524476.db2.gz DEOLWJIHFWCRAZ-SBAKFKMJSA-N 2 3 251.418 1.447 20 0 CDADHP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C[C@H](C)N1 ZINC001246929215 948524483 /nfs/dbraw/zinc/52/44/83/948524483.db2.gz DEOLWJIHFWCRAZ-SBAKFKMJSA-N 2 3 251.418 1.447 20 0 CDADHP C[NH2+]C1CCC([N@H+](C[C@H]2CCCNC2)C2CC2)CC1 ZINC001246977320 948557375 /nfs/dbraw/zinc/55/73/75/948557375.db2.gz YNKIEOBCEZBGCC-NFOMZHRRSA-N 2 3 265.445 1.981 20 0 CDADHP C[NH2+]C1CCC([N@@H+](C[C@H]2CCCNC2)C2CC2)CC1 ZINC001246977320 948557379 /nfs/dbraw/zinc/55/73/79/948557379.db2.gz YNKIEOBCEZBGCC-NFOMZHRRSA-N 2 3 265.445 1.981 20 0 CDADHP N[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC001552376855 964210609 /nfs/dbraw/zinc/21/06/09/964210609.db2.gz VZEZQKQLZJGNTK-JKSUJKDBSA-N 2 3 259.397 1.692 20 0 CDADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC001553028374 964494821 /nfs/dbraw/zinc/49/48/21/964494821.db2.gz WRQDITLOHYETQC-HTOAHKCRSA-N 2 3 251.418 1.480 20 0 CDADHP [NH3+]C[C@]12CCC[C@@H]1CN(C[C@@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC001550702554 966157674 /nfs/dbraw/zinc/15/76/74/966157674.db2.gz NQTCEMQTIYVMOQ-VYDXJSESSA-N 2 3 293.455 1.206 20 0 CDADHP CC1(N2CCOCC2)CCC([NH2+]CC2CC([NH3+])C2)CC1 ZINC001551403495 966615654 /nfs/dbraw/zinc/61/56/54/966615654.db2.gz VATFBQPEPLMSPO-UHFFFAOYSA-N 2 3 281.444 1.347 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C[C@H]3CCC[NH2+]C3)C2)C1 ZINC000650707350 398153033 /nfs/dbraw/zinc/15/30/33/398153033.db2.gz DDKYGWMTQUETEG-JONQDZQNSA-N 2 3 281.444 1.204 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](C[C@H]3CCCNC3)C2)C1 ZINC000650707350 398153034 /nfs/dbraw/zinc/15/30/34/398153034.db2.gz DDKYGWMTQUETEG-JONQDZQNSA-N 2 3 281.444 1.204 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C[C@H]3CCCNC3)C2)C1 ZINC000650707350 398153037 /nfs/dbraw/zinc/15/30/37/398153037.db2.gz DDKYGWMTQUETEG-JONQDZQNSA-N 2 3 281.444 1.204 20 0 CDADHP C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423553422 359855628 /nfs/dbraw/zinc/85/56/28/359855628.db2.gz QMKULIYGDXXANK-FQKPHLNHSA-N 2 3 251.418 1.352 20 0 CDADHP [NH3+]CCCN(CC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420304152 244052966 /nfs/dbraw/zinc/05/29/66/244052966.db2.gz DKURDFUQQUUCGF-OAHLLOKOSA-N 2 3 261.413 1.837 20 0 CDADHP C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000422876651 245360624 /nfs/dbraw/zinc/36/06/24/245360624.db2.gz GOSVPYUMYPMJNQ-GVDBMIGSSA-N 2 3 297.487 1.840 20 0 CDADHP CCO[C@H](CC[NH+](C)C)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192942079 373659745 /nfs/dbraw/zinc/65/97/45/373659745.db2.gz QAQQHXBJFPIEOH-WTXIUTQJSA-N 2 3 283.460 1.558 20 0 CDADHP CCO[C@H](CC[NH+](C)C)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192942079 373659746 /nfs/dbraw/zinc/65/97/46/373659746.db2.gz QAQQHXBJFPIEOH-WTXIUTQJSA-N 2 3 283.460 1.558 20 0 CDADHP C([C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1)N1CCCC1 ZINC000178981674 140011111 /nfs/dbraw/zinc/01/11/11/140011111.db2.gz PQHFIQNFTQVGNS-HNNXBMFYSA-N 2 3 251.418 1.404 20 0 CDADHP C([C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1)N1CCCC1 ZINC000178981674 140011112 /nfs/dbraw/zinc/01/11/12/140011112.db2.gz PQHFIQNFTQVGNS-HNNXBMFYSA-N 2 3 251.418 1.404 20 0 CDADHP NC[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665233312 413957883 /nfs/dbraw/zinc/95/78/83/413957883.db2.gz DQKHHKWZQYHJHN-WBVHZDCISA-N 2 3 295.471 1.594 20 0 CDADHP N[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000665298918 414040930 /nfs/dbraw/zinc/04/09/30/414040930.db2.gz CGSNTFWMHMWJRJ-HOTGVXAUSA-N 2 3 265.445 1.968 20 0 CDADHP C[C@H]1C[NH2+]CC[C@H]1C[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000663496752 423888287 /nfs/dbraw/zinc/88/82/87/423888287.db2.gz JAUMJMSRCVDOPU-QTVXIADOSA-N 2 3 253.434 1.537 20 0 CDADHP C[C@H]1C[NH2+]CC[C@H]1C[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000663496752 423888296 /nfs/dbraw/zinc/88/82/96/423888296.db2.gz JAUMJMSRCVDOPU-QTVXIADOSA-N 2 3 253.434 1.537 20 0 CDADHP C[NH2+]C[C@](C)(O)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000579363995 324169984 /nfs/dbraw/zinc/16/99/84/324169984.db2.gz OUEDLVOXVOLJEQ-KRWDZBQOSA-N 2 3 297.487 1.545 20 0 CDADHP CNC[C@](C)(O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000579363995 324169987 /nfs/dbraw/zinc/16/99/87/324169987.db2.gz OUEDLVOXVOLJEQ-KRWDZBQOSA-N 2 3 297.487 1.545 20 0 CDADHP C[N@@H+]1CC[C@](O)(CN[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925640660 617584528 /nfs/dbraw/zinc/58/45/28/617584528.db2.gz UDNMNIMXZVSZIQ-CVEARBPZSA-N 2 3 277.412 1.123 20 0 CDADHP C[N@H+]1CC[C@](O)(CN[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925640660 617584531 /nfs/dbraw/zinc/58/45/31/617584531.db2.gz UDNMNIMXZVSZIQ-CVEARBPZSA-N 2 3 277.412 1.123 20 0 CDADHP C([NH2+][C@H]1CCNC[C@H]1C1CCCC1)C1CC[NH2+]CC1 ZINC000925688307 617682487 /nfs/dbraw/zinc/68/24/87/617682487.db2.gz DBBXNPROJFTEQI-HOTGVXAUSA-N 2 3 265.445 1.744 20 0 CDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000848996502 732376938 /nfs/dbraw/zinc/37/69/38/732376938.db2.gz ZNCYDVRPDBJHQN-LSDHHAIUSA-N 2 3 295.475 1.315 20 0 CDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000848996502 732376940 /nfs/dbraw/zinc/37/69/40/732376940.db2.gz ZNCYDVRPDBJHQN-LSDHHAIUSA-N 2 3 295.475 1.315 20 0 CDADHP C[C@@H](C[NH2+]CC1CC[NH+](C)CC1)CN1CCCC1 ZINC000062078960 732381804 /nfs/dbraw/zinc/38/18/04/732381804.db2.gz NCZFENNWZDFZOT-AWEZNQCLSA-N 2 3 253.434 1.650 20 0 CDADHP C[C@H]1CC[N@H+](CC2CC3(C2)CC[NH2+]CC3)C[C@@H]1CN ZINC001205296615 919134569 /nfs/dbraw/zinc/13/45/69/919134569.db2.gz RQQCPQFMVYBNQQ-ZFWWWQNUSA-N 2 3 265.445 1.683 20 0 CDADHP C[C@H]1CC[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C[C@@H]1CN ZINC001205296615 919134576 /nfs/dbraw/zinc/13/45/76/919134576.db2.gz RQQCPQFMVYBNQQ-ZFWWWQNUSA-N 2 3 265.445 1.683 20 0 CDADHP C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@H]1CN ZINC001246552558 931735598 /nfs/dbraw/zinc/73/55/98/931735598.db2.gz QDRVEONXCNIMTK-KLHDSHLOSA-N 2 3 265.445 1.825 20 0 CDADHP C[C@@H]1CC[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@H]1CN ZINC001246552558 931735601 /nfs/dbraw/zinc/73/56/01/931735601.db2.gz QDRVEONXCNIMTK-KLHDSHLOSA-N 2 3 265.445 1.825 20 0 CDADHP C[C@H]1C[C@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CCN1 ZINC001246836408 932233659 /nfs/dbraw/zinc/23/36/59/932233659.db2.gz WKJSISKEBMMLEG-NWANDNLSSA-N 2 3 251.418 1.591 20 0 CDADHP C[C@H]1C[C@H](N2CCC([C@H]3CCC[NH2+]3)CC2)CC[NH2+]1 ZINC001246836408 932233663 /nfs/dbraw/zinc/23/36/63/932233663.db2.gz WKJSISKEBMMLEG-NWANDNLSSA-N 2 3 251.418 1.591 20 0 CDADHP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)[C@H](N)CCC[NH3+] ZINC001220384453 941442338 /nfs/dbraw/zinc/44/23/38/941442338.db2.gz UQXWMEVBIOPJHD-ZIAGYGMSSA-N 2 3 290.411 1.188 20 0 CDADHP [NH3+]CCCCCCN1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222265185 941579918 /nfs/dbraw/zinc/57/99/18/941579918.db2.gz PTGIAUJISOGOQR-HNNXBMFYSA-N 2 3 253.434 1.971 20 0 CDADHP c1c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)sc2c1CCNC2 ZINC001222629224 941621363 /nfs/dbraw/zinc/62/13/63/941621363.db2.gz FBUSXIWKKQQPQE-OKILXGFUSA-N 2 3 291.464 1.825 20 0 CDADHP c1c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)sc2c1CCNC2 ZINC001222629224 941621364 /nfs/dbraw/zinc/62/13/64/941621364.db2.gz FBUSXIWKKQQPQE-OKILXGFUSA-N 2 3 291.464 1.825 20 0 CDADHP F[C@@H]1CCNC[C@@]12CC[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC001235400023 944145106 /nfs/dbraw/zinc/14/51/06/944145106.db2.gz BQTGGERFGUWSOQ-RBSFLKMASA-N 2 3 269.408 1.400 20 0 CDADHP F[C@@H]1CCNC[C@@]12CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC001235400023 944145110 /nfs/dbraw/zinc/14/51/10/944145110.db2.gz BQTGGERFGUWSOQ-RBSFLKMASA-N 2 3 269.408 1.400 20 0 CDADHP NC[C@@H]1CCCC[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001262162059 946481632 /nfs/dbraw/zinc/48/16/32/946481632.db2.gz CHVNNDAIWDJNKM-SCXOTVEISA-N 2 3 251.418 1.624 20 0 CDADHP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001246116509 947968587 /nfs/dbraw/zinc/96/85/87/947968587.db2.gz WIRSXLFNGKATAL-NUWOQIAWSA-N 2 3 295.471 1.465 20 0 CDADHP C[C@@H]1C[C@H](NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)CC[NH2+]1 ZINC001246171350 948005261 /nfs/dbraw/zinc/00/52/61/948005261.db2.gz JJRABGYNKWGLLG-KFWWJZLASA-N 2 3 281.444 1.265 20 0 CDADHP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)CO2)CCN1 ZINC001246171350 948005267 /nfs/dbraw/zinc/00/52/67/948005267.db2.gz JJRABGYNKWGLLG-KFWWJZLASA-N 2 3 281.444 1.265 20 0 CDADHP CCOC(=O)C[C@H]([NH2+][C@H]1CCCCNC1)C1CC[NH2+]CC1 ZINC001246229916 948043521 /nfs/dbraw/zinc/04/35/21/948043521.db2.gz QAUZJRNJSWCBNX-GJZGRUSLSA-N 2 3 297.443 1.040 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCC3)CC2)CCN1 ZINC001246363550 948135460 /nfs/dbraw/zinc/13/54/60/948135460.db2.gz FLQQBHUZNYSAEX-HIFRSBDPSA-N 2 3 265.445 1.981 20 0 CDADHP C[C@H]1C[C@H](NCC2(c3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246425873 948167186 /nfs/dbraw/zinc/16/71/86/948167186.db2.gz CACSAUSZHOXCFI-LSDHHAIUSA-N 2 3 288.439 1.433 20 0 CDADHP C[C@H]1C[C@H]([NH2+]CC2(c3ccccn3)CC[NH2+]CC2)CCN1 ZINC001246425873 948167190 /nfs/dbraw/zinc/16/71/90/948167190.db2.gz CACSAUSZHOXCFI-LSDHHAIUSA-N 2 3 288.439 1.433 20 0 CDADHP CC[NH+](CC)C1CCC([NH2+][C@@H]2CC23CNC3)CC1 ZINC001246443899 948176029 /nfs/dbraw/zinc/17/60/29/948176029.db2.gz IHLGOXJHTSNUOT-JXQTWKCFSA-N 2 3 251.418 1.591 20 0 CDADHP CC[NH+](CC)C1CCC(N[C@@H]2CC23C[NH2+]C3)CC1 ZINC001246443899 948176033 /nfs/dbraw/zinc/17/60/33/948176033.db2.gz IHLGOXJHTSNUOT-JXQTWKCFSA-N 2 3 251.418 1.591 20 0 CDADHP CC(C)(C)[C@H]1C[C@H](N2CCC(C[NH3+])CC2)CC[NH2+]1 ZINC001246540804 948240512 /nfs/dbraw/zinc/24/05/12/948240512.db2.gz WZDQTLRRWZVASQ-ZIAGYGMSSA-N 2 3 253.434 1.824 20 0 CDADHP C[C@@H]1C[C@@H](N2CCC[C@@]23CCC[NH2+]CC3)CC[NH2+]1 ZINC001246603666 948337354 /nfs/dbraw/zinc/33/73/54/948337354.db2.gz FOBQBMOWASDKDH-QLFBSQMISA-N 2 3 251.418 1.735 20 0 CDADHP CCCC[C@H]1C[C@H](N2CC[C@H]3C[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001246624454 948360028 /nfs/dbraw/zinc/36/00/28/948360028.db2.gz PXXGLTLFWQSVQJ-CAOSSQGBSA-N 2 3 265.445 1.981 20 0 CDADHP C[C@@H]1CCC[N@H+](C[C@H]2CCCNC2)[C@@H]1CCC[NH3+] ZINC001328437203 955295400 /nfs/dbraw/zinc/29/54/00/955295400.db2.gz NBUMDDFJCYAWIM-QLFBSQMISA-N 2 3 253.434 1.825 20 0 CDADHP C[C@@H]1CCC[N@@H+](C[C@H]2CCCNC2)[C@@H]1CCC[NH3+] ZINC001328437203 955295406 /nfs/dbraw/zinc/29/54/06/955295406.db2.gz NBUMDDFJCYAWIM-QLFBSQMISA-N 2 3 253.434 1.825 20 0 CDADHP C[C@H]([NH2+][C@@H]1[C@H]2CCCN[C@@H]2C1(C)C)C1CC[NH2+]CC1 ZINC001553024969 964488056 /nfs/dbraw/zinc/48/80/56/964488056.db2.gz CZCVYUGJXGMMOA-CYUUQNCZSA-N 2 3 265.445 1.741 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H]1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001550349906 965869169 /nfs/dbraw/zinc/86/91/69/965869169.db2.gz UVSLBUFEFYCMCU-DMRZNYOFSA-N 2 3 281.444 1.060 20 0 CDADHP CC1([NH+]2CCOCC2)CCC([NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC001551379877 966590708 /nfs/dbraw/zinc/59/07/08/966590708.db2.gz LUKPJBARDKDPIG-ORBLRFAASA-N 2 3 295.471 1.737 20 0 CDADHP C[C@H](CCCC[NH3+])[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000422914185 359671008 /nfs/dbraw/zinc/67/10/08/359671008.db2.gz SBXXQVRDDFPWBL-BZUAXINKSA-N 2 3 285.476 1.983 20 0 CDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000335565715 360467109 /nfs/dbraw/zinc/46/71/09/360467109.db2.gz REZRBEWLMGXZGP-KGLIPLIRSA-N 2 3 253.434 1.696 20 0 CDADHP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc4c(c3)C[NH2+]CC4)C[C@H]21 ZINC000564733501 361057370 /nfs/dbraw/zinc/05/73/70/361057370.db2.gz VGMKUQVHNJXVFJ-KBAYOESNSA-N 2 3 285.435 1.892 20 0 CDADHP C[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C[NH3+] ZINC000630076525 367302659 /nfs/dbraw/zinc/30/26/59/367302659.db2.gz JYKBZYLIWOMREB-MLGOLLRUSA-N 2 3 259.397 1.359 20 0 CDADHP C[C@@H]1C[C@H](CN2CCC([NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000384577385 373180117 /nfs/dbraw/zinc/18/01/17/373180117.db2.gz RYMIVWRTTGDTFB-HUUCEWRRSA-N 2 3 265.445 1.935 20 0 CDADHP C[C@@H]1C[C@H](C[NH+]2CCC(N3CCCC3)CC2)CC[NH2+]1 ZINC000384577385 373180124 /nfs/dbraw/zinc/18/01/24/373180124.db2.gz RYMIVWRTTGDTFB-HUUCEWRRSA-N 2 3 265.445 1.935 20 0 CDADHP C[C@@H]1CC2(C[N@@H+]1C[C@@H]1CCCNC1)CC[NH2+]CC2 ZINC000335275874 296294414 /nfs/dbraw/zinc/29/44/14/296294414.db2.gz AVBNOAQNFBWTCV-ZIAGYGMSSA-N 2 3 251.418 1.450 20 0 CDADHP C[C@@H]1CC2(C[N@H+]1C[C@@H]1CCCNC1)CC[NH2+]CC2 ZINC000335275874 296294416 /nfs/dbraw/zinc/29/44/16/296294416.db2.gz AVBNOAQNFBWTCV-ZIAGYGMSSA-N 2 3 251.418 1.450 20 0 CDADHP CC(C)[NH2+]C1CCN(C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414689999 391343718 /nfs/dbraw/zinc/34/37/18/391343718.db2.gz HDVUGLRNKNPPQF-UONOGXRCSA-N 2 3 253.434 1.837 20 0 CDADHP C(C[NH+]1CCCC1)OC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000649413805 392192963 /nfs/dbraw/zinc/19/29/63/392192963.db2.gz HCXICTKSAWNJAQ-OAHLLOKOSA-N 2 3 281.444 1.173 20 0 CDADHP CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000568248580 392432840 /nfs/dbraw/zinc/43/28/40/392432840.db2.gz VGQSBMHQCLSBBJ-BFHYXJOUSA-N 2 3 257.422 1.203 20 0 CDADHP CC(C)C[C@H](N)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000414773368 279178991 /nfs/dbraw/zinc/17/89/91/279178991.db2.gz SSGXRZRXUCNFEZ-CABCVRRESA-N 2 3 253.434 1.681 20 0 CDADHP C[NH+](C)CCOc1cccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000563426744 316307743 /nfs/dbraw/zinc/30/77/43/316307743.db2.gz WKMULEOGJGLDTQ-JKSUJKDBSA-N 2 3 291.439 1.987 20 0 CDADHP c1cc(N2CCN(CCC3CC[NH2+]CC3)CC2)cc[nH+]1 ZINC000208351197 482543260 /nfs/dbraw/zinc/54/32/60/482543260.db2.gz SRGRTDRBWNKQLR-UHFFFAOYSA-N 2 3 274.412 1.593 20 0 CDADHP NCCC[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000143245018 483305024 /nfs/dbraw/zinc/30/50/24/483305024.db2.gz OTSFPYFMLBJSPK-UHFFFAOYSA-N 2 3 261.413 1.837 20 0 CDADHP [NH3+][C@@H]1C[C@@H](NC[C@H]2CC3(CO2)CC[NH2+]CC3)C12CCC2 ZINC000925727882 617980804 /nfs/dbraw/zinc/98/08/04/617980804.db2.gz BMENSISZZGRTPC-MGPQQGTHSA-N 2 3 279.428 1.005 20 0 CDADHP N[C@@H]1C[C@@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C12CCC2 ZINC000925727882 617980811 /nfs/dbraw/zinc/98/08/11/617980811.db2.gz BMENSISZZGRTPC-MGPQQGTHSA-N 2 3 279.428 1.005 20 0 CDADHP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2CCN(C3CC3)C2)C1 ZINC000902339040 624669920 /nfs/dbraw/zinc/66/99/20/624669920.db2.gz PZMNDSOBNJTSPZ-ZIAGYGMSSA-N 2 3 265.445 1.839 20 0 CDADHP CC1(C)C[NH2+]CC[C@@H]1NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903753527 626074511 /nfs/dbraw/zinc/07/45/11/626074511.db2.gz VPAKLPLMLGRAKL-KGLIPLIRSA-N 2 3 281.444 1.123 20 0 CDADHP CC1(C)CNCC[C@@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903753527 626074513 /nfs/dbraw/zinc/07/45/13/626074513.db2.gz VPAKLPLMLGRAKL-KGLIPLIRSA-N 2 3 281.444 1.123 20 0 CDADHP C[C@]1(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CCC[NH2+]C1 ZINC000904381940 626277146 /nfs/dbraw/zinc/27/71/46/626277146.db2.gz YLMDQLDQFZWSTA-SJORKVTESA-N 2 3 295.471 1.467 20 0 CDADHP O[C@]1(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)CCCNC1 ZINC001246058149 1167409951 /nfs/dbraw/zinc/40/99/51/1167409951.db2.gz IBZGPCASMGVJPX-QGZVFWFLSA-N 2 3 295.471 1.203 20 0 CDADHP O[C@]1(CN2CCC(CC3CC[NH2+]CC3)CC2)CCC[NH2+]C1 ZINC001246058149 1167409955 /nfs/dbraw/zinc/40/99/55/1167409955.db2.gz IBZGPCASMGVJPX-QGZVFWFLSA-N 2 3 295.471 1.203 20 0 CDADHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923507425 733596238 /nfs/dbraw/zinc/59/62/38/733596238.db2.gz PJRXSHSKMMFBKX-VYDXJSESSA-N 2 3 279.472 1.944 20 0 CDADHP C[C@H](CCC[NH3+])[NH2+]Cc1cc2c(s1)CCNC2 ZINC000873212720 733763842 /nfs/dbraw/zinc/76/38/42/733763842.db2.gz QWKVYLWWYXYKPD-SNVBAGLBSA-N 2 3 253.415 1.611 20 0 CDADHP CC[C@H]1C[C@@H]([NH2+]CCCC2CC[NH2+]CC2)CCN1 ZINC001246103335 931017045 /nfs/dbraw/zinc/01/70/45/931017045.db2.gz HNISWAZBJYWAJR-GJZGRUSLSA-N 2 3 253.434 1.886 20 0 CDADHP CC[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCN1 ZINC001246205300 931201960 /nfs/dbraw/zinc/20/19/60/931201960.db2.gz LMPHUKTZAUSIPP-ZQDZILKHSA-N 2 3 253.434 1.872 20 0 CDADHP C1CC2(C[C@H]1[N@@H+]1CC[C@]3(C1)CCCNC3)CC[NH2+]CC2 ZINC001246601779 932063507 /nfs/dbraw/zinc/06/35/07/932063507.db2.gz GZRZAGRHYRDQRR-DOTOQJQBSA-N 2 3 277.456 1.984 20 0 CDADHP C1CC2(C[C@H]1[N@H+]1CC[C@]3(C1)CCCNC3)CC[NH2+]CC2 ZINC001246601779 932063510 /nfs/dbraw/zinc/06/35/10/932063510.db2.gz GZRZAGRHYRDQRR-DOTOQJQBSA-N 2 3 277.456 1.984 20 0 CDADHP CN(Cc1ccc(NC(=[NH2+])NCCCC[NH3+])nc1)C1CC1 ZINC001157099276 938454058 /nfs/dbraw/zinc/45/40/58/938454058.db2.gz NSOLFCVXMIVIGM-UHFFFAOYSA-N 2 3 290.415 1.351 20 0 CDADHP CCCN1C[C@@H]2C[N@@H+](CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001207401158 940189668 /nfs/dbraw/zinc/18/96/68/940189668.db2.gz MNTYJPSGMALNIK-IYBDPMFKSA-N 2 3 265.445 1.602 20 0 CDADHP CCCN1C[C@@H]2C[N@H+](CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001207401158 940189671 /nfs/dbraw/zinc/18/96/71/940189671.db2.gz MNTYJPSGMALNIK-IYBDPMFKSA-N 2 3 265.445 1.602 20 0 CDADHP CCC[N@H+]1C[C@H]2CN(CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001207401158 940189674 /nfs/dbraw/zinc/18/96/74/940189674.db2.gz MNTYJPSGMALNIK-IYBDPMFKSA-N 2 3 265.445 1.602 20 0 CDADHP CCC[N@@H+]1C[C@H]2CN(CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001207401158 940189676 /nfs/dbraw/zinc/18/96/76/940189676.db2.gz MNTYJPSGMALNIK-IYBDPMFKSA-N 2 3 265.445 1.602 20 0 CDADHP [NH3+]C12CC(CCN3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)(C1)C2 ZINC001236005615 944371514 /nfs/dbraw/zinc/37/15/14/944371514.db2.gz KYDZQDIGVDIORA-UGXKVIGPSA-N 2 3 297.446 1.731 20 0 CDADHP C[C@@H]1C[NH2+]CCC[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246097732 947949172 /nfs/dbraw/zinc/94/91/72/947949172.db2.gz OBZFPAPHXCEPGA-DGADGQDISA-N 2 3 265.445 1.885 20 0 CDADHP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001246122573 947972815 /nfs/dbraw/zinc/97/28/15/947972815.db2.gz XFKAFEQHKWBTLS-DGADGQDISA-N 2 3 265.445 1.837 20 0 CDADHP CC(C)(C)[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)CCN1 ZINC001246146426 947989415 /nfs/dbraw/zinc/98/94/15/947989415.db2.gz UBZVDTAALWJWAO-OLMNGRFOSA-N 2 3 279.472 1.988 20 0 CDADHP Fc1ccccc1C1(C[NH2+]C2CCNCC2)CC[NH2+]CC1 ZINC001246437421 948171116 /nfs/dbraw/zinc/17/11/16/948171116.db2.gz NOZYUUDZPMFLHC-UHFFFAOYSA-N 2 3 291.414 1.789 20 0 CDADHP Fc1ccccc1C1(CNC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246437421 948171121 /nfs/dbraw/zinc/17/11/21/948171121.db2.gz NOZYUUDZPMFLHC-UHFFFAOYSA-N 2 3 291.414 1.789 20 0 CDADHP CC[C@]1([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)CCNC1 ZINC001246465971 948189359 /nfs/dbraw/zinc/18/93/59/948189359.db2.gz UPTNARIAFMGTFD-ZFWWWQNUSA-N 2 3 251.418 1.640 20 0 CDADHP CN1C(C)(C)CC([N@@H+]2CCC[C@](O)(C[NH3+])CC2)CC1(C)C ZINC001246543760 948246910 /nfs/dbraw/zinc/24/69/10/948246910.db2.gz NPWKMEYOKYEJJJ-QGZVFWFLSA-N 2 3 297.487 1.814 20 0 CDADHP CN1C(C)(C)CC([N@H+]2CCC[C@](O)(C[NH3+])CC2)CC1(C)C ZINC001246543760 948246920 /nfs/dbraw/zinc/24/69/20/948246920.db2.gz NPWKMEYOKYEJJJ-QGZVFWFLSA-N 2 3 297.487 1.814 20 0 CDADHP CC[C@@H]1CC(N2CCC[C@@](O)(C[NH3+])CC2)C[C@@H](CC)[NH2+]1 ZINC001246546021 948251879 /nfs/dbraw/zinc/25/18/79/948251879.db2.gz XVZJHKDUCSWTCM-FMKPAKJESA-N 2 3 283.460 1.471 20 0 CDADHP CC(C)(C)[C@@H]1C[C@H](N2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246596794 948332251 /nfs/dbraw/zinc/33/22/51/948332251.db2.gz QXNVMEQGOWDEEQ-CABCVRRESA-N 2 3 294.487 1.181 20 0 CDADHP C1[NH2+]CC12C[C@@H]([N@@H+]1CCC[C@]13CCCNC3)CS2 ZINC001246606436 948341071 /nfs/dbraw/zinc/34/10/71/948341071.db2.gz FKFWFNCOYJJFAM-OLZOCXBDSA-N 2 3 267.442 1.052 20 0 CDADHP C1[NH2+]CC12C[C@@H]([N@H+]1CCC[C@]13CCCNC3)CS2 ZINC001246606436 948341084 /nfs/dbraw/zinc/34/10/84/948341084.db2.gz FKFWFNCOYJJFAM-OLZOCXBDSA-N 2 3 267.442 1.052 20 0 CDADHP C[C@H]1C[C@@H]([N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CCN1 ZINC001246641953 948378351 /nfs/dbraw/zinc/37/83/51/948378351.db2.gz ALSZSOKQPKIVAK-BPUTZDHNSA-N 2 3 265.445 1.981 20 0 CDADHP C[C@H]1C[C@@H]([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CCN1 ZINC001246641953 948378356 /nfs/dbraw/zinc/37/83/56/948378356.db2.gz ALSZSOKQPKIVAK-BPUTZDHNSA-N 2 3 265.445 1.981 20 0 CDADHP [NH3+]CC12CC(C1)CN2C1CCC2(CC[NH2+]CC2)CC1 ZINC001246647341 948384993 /nfs/dbraw/zinc/38/49/93/948384993.db2.gz SCOOFHMITWNQRB-UHFFFAOYSA-N 2 3 263.429 1.722 20 0 CDADHP CCCC[C@@H]1C[C@H](N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC[NH2+]1 ZINC001246845919 948473483 /nfs/dbraw/zinc/47/34/83/948473483.db2.gz NLLIWNGGKGHMAY-KLHDSHLOSA-N 2 3 265.445 1.839 20 0 CDADHP CC(C)C[NH+]1CCC(CNC[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253410845 951893128 /nfs/dbraw/zinc/89/31/28/951893128.db2.gz UCAIELRTTJFDQR-INIZCTEOSA-N 2 3 299.503 1.693 20 0 CDADHP [NH3+]CC1(c2ccccc2)CC(N[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC001550944154 966297803 /nfs/dbraw/zinc/29/78/03/966297803.db2.gz JYFKUMJBEXXPFH-PWUWZPNHSA-N 2 3 259.397 1.515 20 0 CDADHP CC[C@@H]1CN(CC2CC[NH+](CC)CC2)CC[C@@H]1[NH3+] ZINC001577280232 1171637295 /nfs/dbraw/zinc/63/72/95/1171637295.db2.gz ZOFCEVSRMZJOIU-CABCVRRESA-N 2 3 253.434 1.778 20 0 CDADHP CC[C@@H]1C[N@H+](CC2CC[NH+](CC)CC2)CC[C@@H]1N ZINC001577280232 1171637298 /nfs/dbraw/zinc/63/72/98/1171637298.db2.gz ZOFCEVSRMZJOIU-CABCVRRESA-N 2 3 253.434 1.778 20 0 CDADHP CC[C@@H]1C[N@@H+](CC2CC[NH+](CC)CC2)CC[C@@H]1N ZINC001577280232 1171637302 /nfs/dbraw/zinc/63/73/02/1171637302.db2.gz ZOFCEVSRMZJOIU-CABCVRRESA-N 2 3 253.434 1.778 20 0 CDADHP C[C@H]1C[C@H](C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)CC[NH2+]1 ZINC000650709799 398152624 /nfs/dbraw/zinc/15/26/24/398152624.db2.gz RAHPXRKIDRVUOY-XGUBFFRZSA-N 2 3 251.418 1.435 20 0 CDADHP C[C@H]1C[C@H](C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)CC[NH2+]1 ZINC000650709799 398152625 /nfs/dbraw/zinc/15/26/25/398152625.db2.gz RAHPXRKIDRVUOY-XGUBFFRZSA-N 2 3 251.418 1.435 20 0 CDADHP C[NH2+]Cc1ccccc1CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000650755976 398179445 /nfs/dbraw/zinc/17/94/45/398179445.db2.gz QWOHBVLVGBSKTE-BBRMVZONSA-N 2 3 261.413 1.884 20 0 CDADHP CCOC(=O)C1([C@H](C)NCC2([NH3+])CCCC2)CC[NH2+]CC1 ZINC000596648287 343370774 /nfs/dbraw/zinc/37/07/74/343370774.db2.gz OGCBETWNFJKFMC-ZDUSSCGKSA-N 2 3 297.443 1.169 20 0 CDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000423167186 359755200 /nfs/dbraw/zinc/75/52/00/359755200.db2.gz DSFNHZVDVINVBQ-KFWWJZLASA-N 2 3 253.434 1.696 20 0 CDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000423167186 359755204 /nfs/dbraw/zinc/75/52/04/359755204.db2.gz DSFNHZVDVINVBQ-KFWWJZLASA-N 2 3 253.434 1.696 20 0 CDADHP Cc1nccn1CCCN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000348757016 360567867 /nfs/dbraw/zinc/56/78/67/360567867.db2.gz SJZCFBPMCLJWBB-YIONKMFJSA-N 2 3 262.401 1.796 20 0 CDADHP [NH3+][C@H]1CCC[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)C1 ZINC000635011421 360655033 /nfs/dbraw/zinc/65/50/33/360655033.db2.gz NQOYNEAHMGPCOZ-STQMWFEESA-N 2 3 275.400 1.173 20 0 CDADHP C[C@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C[NH3+] ZINC000634999015 360636037 /nfs/dbraw/zinc/63/60/37/360636037.db2.gz OVQGVNMZZLZXNK-GOEBONIOSA-N 2 3 291.439 1.654 20 0 CDADHP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cnccc1N ZINC000635013232 360663027 /nfs/dbraw/zinc/66/30/27/360663027.db2.gz XKVCLLPOSWSENX-GFCCVEGCSA-N 2 3 298.394 1.472 20 0 CDADHP C[C@]1(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC[NH2+]C1 ZINC000647543890 390987026 /nfs/dbraw/zinc/98/70/26/390987026.db2.gz UDMSWPMNDKRKIH-OAGGEKHMSA-N 2 3 265.445 1.698 20 0 CDADHP C[N@H+]1CC=C(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000392202390 391372776 /nfs/dbraw/zinc/37/27/76/391372776.db2.gz AAEIVPFPCJEKGX-OWCLPIDISA-N 2 3 263.429 1.759 20 0 CDADHP C[N@@H+]1CC=C(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000392202390 391372779 /nfs/dbraw/zinc/37/27/79/391372779.db2.gz AAEIVPFPCJEKGX-OWCLPIDISA-N 2 3 263.429 1.759 20 0 CDADHP C1[C@@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)[C@@H]1C1CC[NH2+]CC1 ZINC000415001143 391702785 /nfs/dbraw/zinc/70/27/85/391702785.db2.gz CBCFBOQYUOOLQP-SMLCLMEVSA-N 2 3 277.456 1.885 20 0 CDADHP C1=C(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC[NH2+]C1 ZINC000423359714 392541750 /nfs/dbraw/zinc/54/17/50/392541750.db2.gz VJHHBXMSWVQMNQ-BZUAXINKSA-N 2 3 263.429 1.807 20 0 CDADHP C(CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000420405142 397702726 /nfs/dbraw/zinc/70/27/26/397702726.db2.gz SXANXVCIQUZWRW-RRFJBIMHSA-N 2 3 251.418 1.450 20 0 CDADHP CN(C[C@H](O)C[NH2+]C(C)(C)C)CC1CC[NH+](C)CC1 ZINC000126069576 1175433176 /nfs/dbraw/zinc/43/31/76/1175433176.db2.gz CKQUTNPBWDGWBR-CQSZACIVSA-N 2 3 271.449 1.009 20 0 CDADHP N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925817202 617772558 /nfs/dbraw/zinc/77/25/58/617772558.db2.gz NKENBPLGCUBHOR-SJORKVTESA-N 2 3 288.439 1.061 20 0 CDADHP C[C@@H]1C[N@H+](Cc2cc3c(s2)CCNC3)C[C@H]1CC[NH3+] ZINC000903978400 626169893 /nfs/dbraw/zinc/16/98/93/626169893.db2.gz OEWGKWPMYXKVEI-VXGBXAGGSA-N 2 3 279.453 1.811 20 0 CDADHP C[C@@H]1C[N@@H+](Cc2cc3c(s2)CCNC3)C[C@H]1CC[NH3+] ZINC000903978400 626169894 /nfs/dbraw/zinc/16/98/94/626169894.db2.gz OEWGKWPMYXKVEI-VXGBXAGGSA-N 2 3 279.453 1.811 20 0 CDADHP C[C@@]1(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)CCCNC1 ZINC000904350961 626262136 /nfs/dbraw/zinc/26/21/36/626262136.db2.gz SGPFGEBEAKYFRR-CQSZACIVSA-N 2 3 251.418 1.452 20 0 CDADHP C[C@@]1(C[N@H+]2CCC3(C2)CC[NH2+]CC3)CCCNC1 ZINC000904350961 626262137 /nfs/dbraw/zinc/26/21/37/626262137.db2.gz SGPFGEBEAKYFRR-CQSZACIVSA-N 2 3 251.418 1.452 20 0 CDADHP [NH3+]CC1CC([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)C1 ZINC000904355881 626264274 /nfs/dbraw/zinc/26/42/74/626264274.db2.gz XGDODWZHPDSSBR-CBPVBMDVSA-N 2 3 291.414 1.846 20 0 CDADHP CCN(C)C[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000788481206 739025805 /nfs/dbraw/zinc/02/58/05/739025805.db2.gz FWDWKGLVRJSHRZ-HNNXBMFYSA-N 2 3 253.434 1.602 20 0 CDADHP CCN(C)C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000788481206 739025809 /nfs/dbraw/zinc/02/58/09/739025809.db2.gz FWDWKGLVRJSHRZ-HNNXBMFYSA-N 2 3 253.434 1.602 20 0 CDADHP CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@](C)([NH3+])CC1)C2 ZINC001246552916 931737465 /nfs/dbraw/zinc/73/74/65/931737465.db2.gz QCHYLSULPDVOIL-YJNKXOJESA-N 2 3 251.418 1.815 20 0 CDADHP CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@](C)([NH3+])CC1)C2 ZINC001246552916 931737467 /nfs/dbraw/zinc/73/74/67/931737467.db2.gz QCHYLSULPDVOIL-YJNKXOJESA-N 2 3 251.418 1.815 20 0 CDADHP CN1CCCC[C@H]1CC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931433129 933560450 /nfs/dbraw/zinc/56/04/50/933560450.db2.gz PTYKJVBPFKDIBK-PMPSAXMXSA-N 2 3 265.445 1.744 20 0 CDADHP CN1CCCC[C@H]1CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931433129 933560457 /nfs/dbraw/zinc/56/04/57/933560457.db2.gz PTYKJVBPFKDIBK-PMPSAXMXSA-N 2 3 265.445 1.744 20 0 CDADHP CN1CCCC[C@H]1CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931433129 933560467 /nfs/dbraw/zinc/56/04/67/933560467.db2.gz PTYKJVBPFKDIBK-PMPSAXMXSA-N 2 3 265.445 1.744 20 0 CDADHP CN1CCCC[C@H]1CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931433129 933560478 /nfs/dbraw/zinc/56/04/78/933560478.db2.gz PTYKJVBPFKDIBK-PMPSAXMXSA-N 2 3 265.445 1.744 20 0 CDADHP c1cc2n(c1CN1CCC[C@]13CCC[NH2+]CC3)CC[NH2+]C2 ZINC001222314488 941582697 /nfs/dbraw/zinc/58/26/97/941582697.db2.gz GUFOIQMNDTZAEG-KRWDZBQOSA-N 2 3 288.439 1.699 20 0 CDADHP CC[NH+](CC)CC[C@H](C)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246138044 947982664 /nfs/dbraw/zinc/98/26/64/947982664.db2.gz ADJAXDKTXTVHND-JKSUJKDBSA-N 2 3 296.503 1.571 20 0 CDADHP CCC1(C[NH2+]C2C[C@@H](C)N[C@H](C)C2)CC[NH2+]CC1 ZINC001246415023 948162789 /nfs/dbraw/zinc/16/27/89/948162789.db2.gz KJCMRRZCEABAFZ-CHWSQXEVSA-N 2 3 253.434 1.885 20 0 CDADHP CCC[C@@]1(CNC2CCC3(C[NH2+]C3)CC2)CC[NH2+]1 ZINC001246455888 948183092 /nfs/dbraw/zinc/18/30/92/948183092.db2.gz KVHWBFUQQVSDTE-HNNXBMFYSA-N 2 3 251.418 1.640 20 0 CDADHP C[C@@]1(N)C[C@H]([NH2+]C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246459016 948184453 /nfs/dbraw/zinc/18/44/53/948184453.db2.gz IQGXAVHQZUZXDU-HFDVOGEKSA-N 2 3 251.418 1.768 20 0 CDADHP C[C@@H]1C[C@@H]([N@@H+]2CCCC3(CC[NH2+]CC3)C2)CCN1 ZINC001246524878 948227077 /nfs/dbraw/zinc/22/70/77/948227077.db2.gz UDNOBFZINZWOIH-KGLIPLIRSA-N 2 3 251.418 1.593 20 0 CDADHP C[C@@H]1C[C@@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)CCN1 ZINC001246524878 948227085 /nfs/dbraw/zinc/22/70/85/948227085.db2.gz UDNOBFZINZWOIH-KGLIPLIRSA-N 2 3 251.418 1.593 20 0 CDADHP CC[C@@H]1C[C@H](N2CCC[C@@](F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246552217 948259669 /nfs/dbraw/zinc/25/96/69/948259669.db2.gz SZHZCLYQWOVJGD-MCIONIFRSA-N 2 3 257.397 1.670 20 0 CDADHP CN(C)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CC[NH+](C)CC1 ZINC001256614421 948362544 /nfs/dbraw/zinc/36/25/44/948362544.db2.gz RZGOCXCLPYTHLL-MQVJKMGUSA-N 2 3 294.487 1.227 20 0 CDADHP C[NH+](C)CCCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256676192 948387775 /nfs/dbraw/zinc/38/77/75/948387775.db2.gz MWWNTEYAHRVMSW-UHFFFAOYSA-N 2 3 283.460 1.561 20 0 CDADHP CC[C@@H]1CC(N2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246664491 948395758 /nfs/dbraw/zinc/39/57/58/948395758.db2.gz YEPSPUJWZMANCW-PFFFPCNUSA-N 2 3 251.418 1.717 20 0 CDADHP CCCN(C)C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178982186 283065116 /nfs/dbraw/zinc/06/51/16/283065116.db2.gz QMKXFALKAILDSN-OAHLLOKOSA-N 2 3 253.434 1.650 20 0 CDADHP CCCN(C)C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178982186 283065117 /nfs/dbraw/zinc/06/51/17/283065117.db2.gz QMKXFALKAILDSN-OAHLLOKOSA-N 2 3 253.434 1.650 20 0 CDADHP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H](CN)C3(C2)CCOCC3)CC[NH2+]1 ZINC000520582119 361544945 /nfs/dbraw/zinc/54/49/45/361544945.db2.gz OYDGYXHYCVPQKU-QLFBSQMISA-N 2 3 281.444 1.062 20 0 CDADHP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H](CN)C3(C2)CCOCC3)CC[NH2+]1 ZINC000520582119 361544950 /nfs/dbraw/zinc/54/49/50/361544950.db2.gz OYDGYXHYCVPQKU-QLFBSQMISA-N 2 3 281.444 1.062 20 0 CDADHP C[C@H]1C[C@H](C[NH+]2CCC(OCCN(C)C)CC2)CC[NH2+]1 ZINC000414689945 241322795 /nfs/dbraw/zinc/32/27/95/241322795.db2.gz GXIOWCSQFQIJEY-LSDHHAIUSA-N 2 3 283.460 1.417 20 0 CDADHP CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414707389 241342947 /nfs/dbraw/zinc/34/29/47/241342947.db2.gz NUWDWVLYZSYETR-KKUMJFAQSA-N 2 3 253.434 1.648 20 0 CDADHP CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414707389 241342950 /nfs/dbraw/zinc/34/29/50/241342950.db2.gz NUWDWVLYZSYETR-KKUMJFAQSA-N 2 3 253.434 1.648 20 0 CDADHP C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000333223628 205129093 /nfs/dbraw/zinc/12/90/93/205129093.db2.gz AMKPQZASJKPQAT-KBUPBQIOSA-N 2 3 253.434 1.729 20 0 CDADHP NC[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CC12CCOCC2 ZINC000567894537 392284424 /nfs/dbraw/zinc/28/44/24/392284424.db2.gz BDMAYNOMJDSNLU-HNNXBMFYSA-N 2 3 281.444 1.063 20 0 CDADHP NC[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC12CCOCC2 ZINC000567894537 392284430 /nfs/dbraw/zinc/28/44/30/392284430.db2.gz BDMAYNOMJDSNLU-HNNXBMFYSA-N 2 3 281.444 1.063 20 0 CDADHP C[N@@H+]1CCC[C@H](CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423168971 392407770 /nfs/dbraw/zinc/40/77/70/392407770.db2.gz IGMCLWLMCQVTRX-JKXDFHQYSA-N 2 3 251.418 1.591 20 0 CDADHP C[N@H+]1CCC[C@H](CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423168971 392407773 /nfs/dbraw/zinc/40/77/73/392407773.db2.gz IGMCLWLMCQVTRX-JKXDFHQYSA-N 2 3 251.418 1.591 20 0 CDADHP C[NH+](C)CCOCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261646531 140368807 /nfs/dbraw/zinc/36/88/07/140368807.db2.gz OYRJQORPBHZWIZ-ARFHVFGLSA-N 2 3 283.460 1.465 20 0 CDADHP C[C@@H]([NH2+]CCCN1CCCC1)C1CC[NH+](C)CC1 ZINC000037220928 173039734 /nfs/dbraw/zinc/03/97/34/173039734.db2.gz MEUXTJJWFHWCTD-CQSZACIVSA-N 2 3 253.434 1.792 20 0 CDADHP C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)[C@@H]1CCC[NH3+] ZINC000662313108 423947511 /nfs/dbraw/zinc/94/75/11/423947511.db2.gz JTTUWHZUZSJHJG-QLFBSQMISA-N 2 3 281.444 1.347 20 0 CDADHP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)[C@@H]1CCC[NH3+] ZINC000662313108 423947521 /nfs/dbraw/zinc/94/75/21/423947521.db2.gz JTTUWHZUZSJHJG-QLFBSQMISA-N 2 3 281.444 1.347 20 0 CDADHP CSC1(C[NH2+][C@@H]2CCCC[C@H]2CN)CC[NH+](C)CC1 ZINC000423118975 295582907 /nfs/dbraw/zinc/58/29/07/295582907.db2.gz AVVZNVLMOUYDKG-UONOGXRCSA-N 2 3 285.501 1.921 20 0 CDADHP C[C@H](NC[C@H]1CCCCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000902485078 624893284 /nfs/dbraw/zinc/89/32/84/624893284.db2.gz YUWFRPKIYMEICO-DZGCQCFKSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@@H]1CNCC[C@H]1[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246213139 931211693 /nfs/dbraw/zinc/21/16/93/931211693.db2.gz ZCHPPJSCMZPTFV-UKRRQHHQSA-N 2 3 265.445 1.886 20 0 CDADHP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)C[C@H](C)N1 ZINC001246563537 931791778 /nfs/dbraw/zinc/79/17/78/931791778.db2.gz XGRRZEBSNMOLML-RMEBNNNOSA-N 2 3 253.434 1.822 20 0 CDADHP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)C[C@H](C)N1 ZINC001246563537 931791781 /nfs/dbraw/zinc/79/17/81/931791781.db2.gz XGRRZEBSNMOLML-RMEBNNNOSA-N 2 3 253.434 1.822 20 0 CDADHP C(C1CC2(C1)CC[NH2+]CC2)[N@@H+]1CCC[C@@]12CCCNC2 ZINC001222231407 941576383 /nfs/dbraw/zinc/57/63/83/941576383.db2.gz LVVNKXFIJUISKZ-QGZVFWFLSA-N 2 3 277.456 1.984 20 0 CDADHP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CCC[C@@]12CCCNC2 ZINC001222231407 941576385 /nfs/dbraw/zinc/57/63/85/941576385.db2.gz LVVNKXFIJUISKZ-QGZVFWFLSA-N 2 3 277.456 1.984 20 0 CDADHP CC1(C[N@@H+]2CC[C@@]3(C2)CNCC[C@@H]3F)CC[NH2+]CC1 ZINC001235407014 944146425 /nfs/dbraw/zinc/14/64/25/944146425.db2.gz SBSSTBFYVBQLQT-ZFWWWQNUSA-N 2 3 269.408 1.400 20 0 CDADHP CC1(C[N@H+]2CC[C@@]3(C2)CNCC[C@@H]3F)CC[NH2+]CC1 ZINC001235407014 944146430 /nfs/dbraw/zinc/14/64/30/944146430.db2.gz SBSSTBFYVBQLQT-ZFWWWQNUSA-N 2 3 269.408 1.400 20 0 CDADHP [NH3+]CC[C@@H]1CCCN1Cc1ccccc1N1CC[NH2+]CC1 ZINC001235925745 944322288 /nfs/dbraw/zinc/32/22/88/944322288.db2.gz ZGFBBZFLSNZVPI-INIZCTEOSA-N 2 3 288.439 1.409 20 0 CDADHP C[C@H]1CC[NH2+]C[C@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC001246116820 947968285 /nfs/dbraw/zinc/96/82/85/947968285.db2.gz XFKAFEQHKWBTLS-MGLUKCQKSA-N 2 3 265.445 1.837 20 0 CDADHP C[C@@H]1CC[C@H](NCC[C@@H]2CCOC23CC[NH2+]CC3)C[NH2+]1 ZINC001246135572 947979294 /nfs/dbraw/zinc/97/92/94/947979294.db2.gz BIPICMRJUNUTTH-KFWWJZLASA-N 2 3 281.444 1.265 20 0 CDADHP CC[C@@H]1C[C@H](NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)C[C@H](CC)[NH2+]1 ZINC001246153215 947993020 /nfs/dbraw/zinc/99/30/20/947993020.db2.gz YBKKSQCTWXMMDW-BPXZUEPWSA-N 2 3 295.471 1.510 20 0 CDADHP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C2 ZINC001246197705 948022009 /nfs/dbraw/zinc/02/20/09/948022009.db2.gz LDVKYHLVKOOJTM-TUVASFSCSA-N 2 3 251.418 1.591 20 0 CDADHP C[C@H]1CC[C@@H](NCCCCC[NH+]2CCCC2)C[NH2+]1 ZINC001246270822 948069343 /nfs/dbraw/zinc/06/93/43/948069343.db2.gz NFZYYLFABKVHHP-LSDHHAIUSA-N 2 3 253.434 1.983 20 0 CDADHP C1[NH2+]CC12C[C@H]([NH2+]C1CCN(C3CCCC3)CC1)CCN2 ZINC001246327128 948106716 /nfs/dbraw/zinc/10/67/16/948106716.db2.gz YLQIEELBYWTHKC-OAHLLOKOSA-N 2 3 292.471 1.077 20 0 CDADHP [NH3+]C[C@@H](NC1CCC2(C[NH2+]C2)CC1)c1ccccc1 ZINC001246506744 948217037 /nfs/dbraw/zinc/21/70/37/948217037.db2.gz JWDNSFVHFPEWOT-OAHLLOKOSA-N 2 3 259.397 1.808 20 0 CDADHP [NH3+]C[C@@]1(F)CCCCN([C@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246581491 948309723 /nfs/dbraw/zinc/30/97/23/948309723.db2.gz QAVCNUVJUZCOIN-JSGCOSHPSA-N 2 3 255.381 1.281 20 0 CDADHP C1C[C@@]2(C[NH2+]1)CCC[C@H]([N@@H+]1CC[C@@]3(C1)CCCNC3)C2 ZINC001246601729 948337108 /nfs/dbraw/zinc/33/71/08/948337108.db2.gz GMAPVDQJBPCTLX-ULQDDVLXSA-N 2 3 277.456 1.984 20 0 CDADHP C1C[C@@]2(C[NH2+]1)CCC[C@H]([N@H+]1CC[C@@]3(C1)CCCNC3)C2 ZINC001246601729 948337115 /nfs/dbraw/zinc/33/71/15/948337115.db2.gz GMAPVDQJBPCTLX-ULQDDVLXSA-N 2 3 277.456 1.984 20 0 CDADHP C1C[C@@]2(CCCNC2)[N@@H+]1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246603737 948339145 /nfs/dbraw/zinc/33/91/45/948339145.db2.gz MCSGKBIMIZHLFI-HRCADAONSA-N 2 3 263.429 1.737 20 0 CDADHP C1C[C@@]2(CCCNC2)[N@H+]1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246603737 948339149 /nfs/dbraw/zinc/33/91/49/948339149.db2.gz MCSGKBIMIZHLFI-HRCADAONSA-N 2 3 263.429 1.737 20 0 CDADHP C[NH2+]CC[C@H](C)N1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001246662544 948394520 /nfs/dbraw/zinc/39/45/20/948394520.db2.gz IBCPASPEXFBVJY-ZFWWWQNUSA-N 2 3 253.434 1.839 20 0 CDADHP C1C[NH2+]C[C@H]([C@H]2CCC[N@@H+](C3CCNCC3)C2)C1 ZINC001246678073 948401622 /nfs/dbraw/zinc/40/16/22/948401622.db2.gz MXMPHFUFWMCZGZ-KGLIPLIRSA-N 2 3 251.418 1.450 20 0 CDADHP C1C[NH2+]C[C@H]([C@H]2CCC[N@H+](C3CCNCC3)C2)C1 ZINC001246678073 948401625 /nfs/dbraw/zinc/40/16/25/948401625.db2.gz MXMPHFUFWMCZGZ-KGLIPLIRSA-N 2 3 251.418 1.450 20 0 CDADHP CC(C)[C@H]1C[C@@H]([N@H+](C)CC2CC[NH2+]CC2)CCN1 ZINC001246682155 948403352 /nfs/dbraw/zinc/40/33/52/948403352.db2.gz SYAZHPRNTWHZPZ-LSDHHAIUSA-N 2 3 253.434 1.694 20 0 CDADHP CC(C)[C@H]1C[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)CCN1 ZINC001246682155 948403358 /nfs/dbraw/zinc/40/33/58/948403358.db2.gz SYAZHPRNTWHZPZ-LSDHHAIUSA-N 2 3 253.434 1.694 20 0 CDADHP C[N@H+](CCC1CC[NH2+]CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246795383 948444600 /nfs/dbraw/zinc/44/46/00/948444600.db2.gz JADZFGSIBYSBNE-MUJYYYPQSA-N 2 3 265.445 1.981 20 0 CDADHP C[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246795383 948444605 /nfs/dbraw/zinc/44/46/05/948444605.db2.gz JADZFGSIBYSBNE-MUJYYYPQSA-N 2 3 265.445 1.981 20 0 CDADHP C[NH2+]CC[C@H](C)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001246798654 948446433 /nfs/dbraw/zinc/44/64/33/948446433.db2.gz XKQHSFGIRPQBQR-ZDUSSCGKSA-N 2 3 253.434 1.696 20 0 CDADHP N[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H]2C2CC[NH2+]CC2)C12CCC2 ZINC001553024669 964487807 /nfs/dbraw/zinc/48/78/07/964487807.db2.gz MZYQHSOFXVLNOG-XGUBFFRZSA-N 2 3 279.428 1.003 20 0 CDADHP [NH3+][C@@H]1C[C@H](N[C@H]2CCO[C@H]2C2CC[NH2+]CC2)C12CCC2 ZINC001553024669 964487815 /nfs/dbraw/zinc/48/78/15/964487815.db2.gz MZYQHSOFXVLNOG-XGUBFFRZSA-N 2 3 279.428 1.003 20 0 CDADHP C[C@@H](NC1CC(C[NH3+])(c2ccccc2)C1)C1([NH3+])CC1 ZINC001551376788 966587208 /nfs/dbraw/zinc/58/72/08/966587208.db2.gz NPXAGPITZGDCOP-LRVUVFPRSA-N 2 3 259.397 1.515 20 0 CDADHP C[C@]1(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC[NH2+]C1 ZINC000650708334 398151434 /nfs/dbraw/zinc/15/14/34/398151434.db2.gz YBCGMTIHWCFOMD-JONQDZQNSA-N 2 3 281.444 1.204 20 0 CDADHP C[C@@H]1C[C@@H](C[NH+]2CCC(OCCN(C)C)CC2)CC[NH2+]1 ZINC000414689940 241323525 /nfs/dbraw/zinc/32/35/25/241323525.db2.gz GXIOWCSQFQIJEY-CABCVRRESA-N 2 3 283.460 1.417 20 0 CDADHP C[N@H+]1CC=C(C[NH2+]C2CCN(CC3CC3)CC2)CC1 ZINC000540606054 368547275 /nfs/dbraw/zinc/54/72/75/368547275.db2.gz BOQPJMRAOSYICU-UHFFFAOYSA-N 2 3 263.429 1.712 20 0 CDADHP C[N@@H+]1CC=C(C[NH2+]C2CCN(CC3CC3)CC2)CC1 ZINC000540606054 368547278 /nfs/dbraw/zinc/54/72/78/368547278.db2.gz BOQPJMRAOSYICU-UHFFFAOYSA-N 2 3 263.429 1.712 20 0 CDADHP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N)cc1 ZINC000422717721 245175152 /nfs/dbraw/zinc/17/51/52/245175152.db2.gz PANWWDZILQFBBF-DLBZAZTESA-N 2 3 291.439 1.987 20 0 CDADHP CC[NH+](CC)CCOCCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423040885 284640068 /nfs/dbraw/zinc/64/00/68/284640068.db2.gz VFGGZRZFSZJCNU-LSDHHAIUSA-N 2 3 271.449 1.323 20 0 CDADHP C[C@H](NCC1(C)CC[NH+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000395255005 391770498 /nfs/dbraw/zinc/77/04/98/391770498.db2.gz VKOJCTJJAOOWBS-UONOGXRCSA-N 2 3 253.434 1.839 20 0 CDADHP CC[C@@H](NCCCN1CCC[N@H+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422980444 392274252 /nfs/dbraw/zinc/27/42/52/392274252.db2.gz PPQDWDIIZCPKKX-CVEARBPZSA-N 2 3 282.476 1.134 20 0 CDADHP CC[C@@H](NCCCN1CCC[N@@H+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422980444 392274255 /nfs/dbraw/zinc/27/42/55/392274255.db2.gz PPQDWDIIZCPKKX-CVEARBPZSA-N 2 3 282.476 1.134 20 0 CDADHP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423041253 392294616 /nfs/dbraw/zinc/29/46/16/392294616.db2.gz WRDCZHFNPARGFQ-HUUCEWRRSA-N 2 3 271.449 1.452 20 0 CDADHP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423041251 392295506 /nfs/dbraw/zinc/29/55/06/392295506.db2.gz WRDCZHFNPARGFQ-CABCVRRESA-N 2 3 271.449 1.452 20 0 CDADHP C[C@@H]1CCNCC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000335027752 150202464 /nfs/dbraw/zinc/20/24/64/150202464.db2.gz IXNHRUORMLLOIH-XSCHDIRWSA-N 2 3 253.434 1.837 20 0 CDADHP CC[NH+](CC)CCOCCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000349724466 154197132 /nfs/dbraw/zinc/19/71/32/154197132.db2.gz UNCSUOIROFSILM-HUUCEWRRSA-N 2 3 271.449 1.417 20 0 CDADHP CC[NH+](CC)CCOCCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000349724466 154197135 /nfs/dbraw/zinc/19/71/35/154197135.db2.gz UNCSUOIROFSILM-HUUCEWRRSA-N 2 3 271.449 1.417 20 0 CDADHP C([C@H]1CCCNC1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783586 413651658 /nfs/dbraw/zinc/65/16/58/413651658.db2.gz QTPQPVMLETZPNT-HOCLYGCPSA-N 2 3 265.445 1.698 20 0 CDADHP C([C@H]1CCCNC1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783586 413651663 /nfs/dbraw/zinc/65/16/63/413651663.db2.gz QTPQPVMLETZPNT-HOCLYGCPSA-N 2 3 265.445 1.698 20 0 CDADHP C([C@@H]1CCC[NH2+]C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656787032 413665265 /nfs/dbraw/zinc/66/52/65/413665265.db2.gz RKLQGQCWMJRNSY-ZBFHGGJFSA-N 2 3 265.445 1.698 20 0 CDADHP C([C@@H]1CC[NH2+]C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290139 414618416 /nfs/dbraw/zinc/61/84/16/414618416.db2.gz LBQGNIVULGTQDI-HIFRSBDPSA-N 2 3 251.418 1.308 20 0 CDADHP CC[C@H](NCC1(C)CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000423050669 288036916 /nfs/dbraw/zinc/03/69/16/288036916.db2.gz ZEEFMOAGNQDDIF-KBPBESRZSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@@H]1CN(CCCC[NH2+]C2CCC(C[NH3+])CC2)C[C@@H](C)O1 ZINC000422914744 288159377 /nfs/dbraw/zinc/15/93/77/288159377.db2.gz VTRAYCAVJZIZCY-NUWOQIAWSA-N 2 3 297.487 1.983 20 0 CDADHP CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568248583 293999085 /nfs/dbraw/zinc/99/90/85/293999085.db2.gz VGQSBMHQCLSBBJ-MGPQQGTHSA-N 2 3 257.422 1.203 20 0 CDADHP CC(C)(C)CC[C@@H]([NH3+])CN[C@@H]1CC12CC[NH2+]CC2 ZINC000904354897 626263597 /nfs/dbraw/zinc/26/35/97/626263597.db2.gz KSWUZZKNHYVSKU-CHWSQXEVSA-N 2 3 253.434 1.872 20 0 CDADHP C[C@@]1(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)CCC[NH2+]C1 ZINC000904381937 626277151 /nfs/dbraw/zinc/27/71/51/626277151.db2.gz YLMDQLDQFZWSTA-DLBZAZTESA-N 2 3 295.471 1.467 20 0 CDADHP C[NH+](C)C1CCC([NH2+]C[C@@]2(C)CCCNC2)CC1 ZINC000817966504 746318802 /nfs/dbraw/zinc/31/88/02/746318802.db2.gz PEGZOFLLLAWVGO-NRXISQOPSA-N 2 3 253.434 1.839 20 0 CDADHP C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CC[NH+](C2CC2)CC1 ZINC000925662136 746784905 /nfs/dbraw/zinc/78/49/05/746784905.db2.gz YIOXOCHSKASNHK-GMBUGEKQSA-N 2 3 275.440 1.447 20 0 CDADHP [NH3+][C@@H]1CCC[C@H]2CN(Cc3cc4c(s3)CC[NH2+]C4)C[C@H]21 ZINC000873200496 746986903 /nfs/dbraw/zinc/98/69/03/746986903.db2.gz BHNWVXWTHKQEHR-NILFDRSVSA-N 2 3 291.464 1.953 20 0 CDADHP CC[NH+](CC)Cc1cc(N[C@@H](N)CCC[NH3+])ccc1OC ZINC001170904287 930714876 /nfs/dbraw/zinc/71/48/76/930714876.db2.gz NCGJERFJODJDRE-MRXNPFEDSA-N 2 3 294.443 1.973 20 0 CDADHP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)C[NH2+]1 ZINC001246095601 930981498 /nfs/dbraw/zinc/98/14/98/930981498.db2.gz LIRYCBONCMFMOH-QCODTGAPSA-N 2 3 265.445 1.979 20 0 CDADHP C[C@@H]1CC[C@H](CN[C@@H]2CCC3(C2)CC[NH2+]CC3)[NH2+]C1 ZINC001246113864 931062200 /nfs/dbraw/zinc/06/22/00/931062200.db2.gz OCPIXQILVOMKBB-RBSFLKMASA-N 2 3 265.445 1.886 20 0 CDADHP C[C@@H]1CC[C@H](CNC2CCC3(CC[NH2+]C3)CC2)[NH2+]C1 ZINC001246115254 931069827 /nfs/dbraw/zinc/06/98/27/931069827.db2.gz RGNUVVKPFHYGST-YHNBSYBMSA-N 2 3 265.445 1.886 20 0 CDADHP CC[NH+](CC)C1CCC([NH2+][C@@H]2CNCC23CC3)CC1 ZINC001246132226 931092521 /nfs/dbraw/zinc/09/25/21/931092521.db2.gz LFKDBDHAMSIRBC-YMAMQOFZSA-N 2 3 265.445 1.981 20 0 CDADHP C(C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1)[C@H]1CNCCO1 ZINC001235231227 944100106 /nfs/dbraw/zinc/10/01/06/944100106.db2.gz DJXYATNYVMFCCM-HOTGVXAUSA-N 2 3 281.444 1.219 20 0 CDADHP CN(C)CCC[NH+]1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001278058797 944670934 /nfs/dbraw/zinc/67/09/34/944670934.db2.gz YIQKVEMHSUXCQD-UHFFFAOYSA-N 2 3 296.503 1.288 20 0 CDADHP CN(C)CCC[NH+]1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001278058797 944670941 /nfs/dbraw/zinc/67/09/41/944670941.db2.gz YIQKVEMHSUXCQD-UHFFFAOYSA-N 2 3 296.503 1.288 20 0 CDADHP C[C@@H]1CC([NH2+]C[C@@]2(C)CCC[NH2+]CC2)C[C@@H](C)N1 ZINC001246093061 947942883 /nfs/dbraw/zinc/94/28/83/947942883.db2.gz GTPJLULWBWQMNQ-NFAWXSAZSA-N 2 3 253.434 1.885 20 0 CDADHP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)C[NH2+]1 ZINC001246095583 947947819 /nfs/dbraw/zinc/94/78/19/947947819.db2.gz LIRYCBONCMFMOH-DGADGQDISA-N 2 3 265.445 1.979 20 0 CDADHP C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246139496 947982861 /nfs/dbraw/zinc/98/28/61/947982861.db2.gz DAWZCRJMVRJRHL-HUUCEWRRSA-N 2 3 292.471 1.125 20 0 CDADHP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)C2 ZINC001246197707 948022782 /nfs/dbraw/zinc/02/27/82/948022782.db2.gz LDVKYHLVKOOJTM-ZQDZILKHSA-N 2 3 251.418 1.591 20 0 CDADHP CCCC[C@@H]1C[C@H](N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC001246257031 948059670 /nfs/dbraw/zinc/05/96/70/948059670.db2.gz RBJSZBVSSJGJEW-NCOADZHNSA-N 2 3 295.471 1.798 20 0 CDADHP C[C@H]1CC[N@@H+](C2CCC3(C[NH2+]C3)CC2)C[C@@H]1CN ZINC001246551426 948256029 /nfs/dbraw/zinc/25/60/29/948256029.db2.gz MTDALXDQGKNOJQ-STQMWFEESA-N 2 3 251.418 1.435 20 0 CDADHP C[C@H]1CC[N@H+](C2CCC3(C[NH2+]C3)CC2)C[C@@H]1CN ZINC001246551426 948256037 /nfs/dbraw/zinc/25/60/37/948256037.db2.gz MTDALXDQGKNOJQ-STQMWFEESA-N 2 3 251.418 1.435 20 0 CDADHP CC[C@H]1CC(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246632613 948369394 /nfs/dbraw/zinc/36/93/94/948369394.db2.gz YLWRQPKOBFZIDQ-WBTNSWJXSA-N 2 3 295.471 1.606 20 0 CDADHP C[C@@H]1C[C@H]([NH+]2CCC(C3CC[NH2+]CC3)CC2)CCN1 ZINC001246797030 948444861 /nfs/dbraw/zinc/44/48/61/948444861.db2.gz UAHOZHKRTAAKPI-CZUORRHYSA-N 2 3 265.445 1.839 20 0 CDADHP C[C@@H]1C[C@H](N2CCC(C3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246797030 948444867 /nfs/dbraw/zinc/44/48/67/948444867.db2.gz UAHOZHKRTAAKPI-CZUORRHYSA-N 2 3 265.445 1.839 20 0 CDADHP C[C@@H]1C[C@H](C)[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1CN ZINC000422639215 359649152 /nfs/dbraw/zinc/64/91/52/359649152.db2.gz SJXHZBRCOFBMSX-LXTVHRRPSA-N 2 3 253.434 1.681 20 0 CDADHP C[C@@H]1C[C@H](C)[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1CN ZINC000422639215 359649156 /nfs/dbraw/zinc/64/91/56/359649156.db2.gz SJXHZBRCOFBMSX-LXTVHRRPSA-N 2 3 253.434 1.681 20 0 CDADHP C[C@@H]1C[C@H](C)N(CC[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000422639215 359649160 /nfs/dbraw/zinc/64/91/60/359649160.db2.gz SJXHZBRCOFBMSX-LXTVHRRPSA-N 2 3 253.434 1.681 20 0 CDADHP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000422867830 359665243 /nfs/dbraw/zinc/66/52/43/359665243.db2.gz TVSRTBNWLVEDHJ-MGPQQGTHSA-N 2 3 257.422 1.060 20 0 CDADHP C[NH2+]CC1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000566855874 361427989 /nfs/dbraw/zinc/42/79/89/361427989.db2.gz FWFAYXKCYRCNAT-UHFFFAOYSA-N 2 3 296.503 1.334 20 0 CDADHP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000423429815 295275420 /nfs/dbraw/zinc/27/54/20/295275420.db2.gz STGJOYRULMQELP-KLHDSHLOSA-N 2 3 265.445 1.968 20 0 CDADHP C[NH2+]C[C@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000647822263 391809279 /nfs/dbraw/zinc/80/92/79/391809279.db2.gz LGHBVOVWJAKUJB-OAHLLOKOSA-N 2 3 253.434 1.698 20 0 CDADHP C[NH+](C)CCOCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261646532 140368831 /nfs/dbraw/zinc/36/88/31/140368831.db2.gz OYRJQORPBHZWIZ-BZUAXINKSA-N 2 3 283.460 1.465 20 0 CDADHP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cccc3c2CCNC3)C1 ZINC000662270558 414602986 /nfs/dbraw/zinc/60/29/86/414602986.db2.gz AKDTXJFDTBDAFM-AWEZNQCLSA-N 2 3 273.424 1.893 20 0 CDADHP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc3c2CCNC3)C1 ZINC000662270558 414602988 /nfs/dbraw/zinc/60/29/88/414602988.db2.gz AKDTXJFDTBDAFM-AWEZNQCLSA-N 2 3 273.424 1.893 20 0 CDADHP C[C@@H]1C[C@@H](C)[N@H+](CCC2CC[NH2+]CC2)C[C@@H]1CN ZINC000422635336 297235018 /nfs/dbraw/zinc/23/50/18/297235018.db2.gz LJLQREOWMVIJKR-NFAWXSAZSA-N 2 3 253.434 1.681 20 0 CDADHP C[C@@H]1C[C@@H](C)[N@@H+](CCC2CC[NH2+]CC2)C[C@@H]1CN ZINC000422635336 297235021 /nfs/dbraw/zinc/23/50/21/297235021.db2.gz LJLQREOWMVIJKR-NFAWXSAZSA-N 2 3 253.434 1.681 20 0 CDADHP C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCCC[NH2+]1 ZINC000902477696 624825462 /nfs/dbraw/zinc/82/54/62/624825462.db2.gz QSRSQFVKYZVPPI-TUVASFSCSA-N 2 3 251.418 1.496 20 0 CDADHP CCN(C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@@H]1CCC[NH2+]CC1 ZINC000903745329 626070599 /nfs/dbraw/zinc/07/05/99/626070599.db2.gz COYHWUBUZORDFN-PMPSAXMXSA-N 2 3 281.444 1.219 20 0 CDADHP CC1(C)C[NH2+]CC[C@@H]1NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903753526 626074255 /nfs/dbraw/zinc/07/42/55/626074255.db2.gz VPAKLPLMLGRAKL-KBPBESRZSA-N 2 3 281.444 1.123 20 0 CDADHP CC1(C)CNCC[C@@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903753526 626074256 /nfs/dbraw/zinc/07/42/56/626074256.db2.gz VPAKLPLMLGRAKL-KBPBESRZSA-N 2 3 281.444 1.123 20 0 CDADHP C[C@@H](C[C@H]1CCC[NH2+]1)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC001575941551 1171301413 /nfs/dbraw/zinc/30/14/13/1171301413.db2.gz RSFYFBZZDYZNCO-HRCADAONSA-N 2 3 284.492 1.379 20 0 CDADHP C[C@@H]1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C[NH3+] ZINC000923375059 749858508 /nfs/dbraw/zinc/85/85/08/749858508.db2.gz GRJHWPHJZFJIEQ-QUHHJHJSSA-N 2 3 265.445 1.824 20 0 CDADHP C[C@@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1CN ZINC000923375059 749858509 /nfs/dbraw/zinc/85/85/09/749858509.db2.gz GRJHWPHJZFJIEQ-QUHHJHJSSA-N 2 3 265.445 1.824 20 0 CDADHP C[C@@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1CN ZINC000923375059 749858510 /nfs/dbraw/zinc/85/85/10/749858510.db2.gz GRJHWPHJZFJIEQ-QUHHJHJSSA-N 2 3 265.445 1.824 20 0 CDADHP CC1(C)C[C@H]([NH2+]CC2CC3(C2)CC[NH2+]CC3)CCN1 ZINC001246127385 947974981 /nfs/dbraw/zinc/97/49/81/947974981.db2.gz OUPFPTXUDFJZIG-CQSZACIVSA-N 2 3 265.445 1.886 20 0 CDADHP CCN(CC)CC[C@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC001255946791 948133667 /nfs/dbraw/zinc/13/36/67/948133667.db2.gz IPCFKAKDJXJJBQ-HNNXBMFYSA-N 2 3 285.476 1.401 20 0 CDADHP [NH3+]CCCNCCC[NH2+][C@H]1CCCN(C2CCCC2)C1 ZINC001246455040 948182467 /nfs/dbraw/zinc/18/24/67/948182467.db2.gz VWNADAIEVLKSGM-HNNXBMFYSA-N 2 3 282.476 1.312 20 0 CDADHP [NH3+]CCCC[NH2+]CCCN[C@H]1CCc2cccc(F)c2C1 ZINC001246455906 948183180 /nfs/dbraw/zinc/18/31/80/948183180.db2.gz GZKWEJCUPUPGNF-HNNXBMFYSA-N 2 3 293.430 1.991 20 0 CDADHP [NH3+][C@H]1CCCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001246548114 948253447 /nfs/dbraw/zinc/25/34/47/948253447.db2.gz QZHVNMUSZGUEDW-AWEZNQCLSA-N 2 3 274.412 1.864 20 0 CDADHP NC[C@@H]1CCCC[N@@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246580554 948306548 /nfs/dbraw/zinc/30/65/48/948306548.db2.gz HBJZWPOJASJCRL-HRCADAONSA-N 2 3 265.445 1.970 20 0 CDADHP NC[C@@H]1CCCC[N@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246580554 948306554 /nfs/dbraw/zinc/30/65/54/948306554.db2.gz HBJZWPOJASJCRL-HRCADAONSA-N 2 3 265.445 1.970 20 0 CDADHP CC(C)[C@@H]1C[C@H](N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[NH2+]1 ZINC001246843389 948471349 /nfs/dbraw/zinc/47/13/49/948471349.db2.gz GCKBLZOOIUTQDD-YJNKXOJESA-N 2 3 251.418 1.304 20 0 CDADHP CCOC(=O)C1([C@@H](C)NCC2([NH3+])CCCC2)CC[NH2+]CC1 ZINC000596648286 343370832 /nfs/dbraw/zinc/37/08/32/343370832.db2.gz OGCBETWNFJKFMC-CYBMUJFWSA-N 2 3 297.443 1.169 20 0 CDADHP CCCN1CCC([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422775776 283320939 /nfs/dbraw/zinc/32/09/39/283320939.db2.gz CHAXVOYZKDVYHM-DZGCQCFKSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@@H]1CCCCN1 ZINC000422740540 299286874 /nfs/dbraw/zinc/28/68/74/299286874.db2.gz MXICICDYKNMQFG-RDJZCZTQSA-N 2 3 296.503 1.380 20 0 CDADHP C[C@@H](CCCC[NH3+])[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000423095594 359749951 /nfs/dbraw/zinc/74/99/51/359749951.db2.gz FQJFRRIZHBELFT-AWEZNQCLSA-N 2 3 270.465 1.120 20 0 CDADHP COCC1(CN[C@H](C)C[C@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000414976747 371259062 /nfs/dbraw/zinc/25/90/62/371259062.db2.gz QACCBNZYCZEKJV-ZIAGYGMSSA-N 2 3 269.433 1.123 20 0 CDADHP C[C@@H]1C[C@H](C)[N@H+](CCC2CC[NH2+]CC2)C[C@@H]1CN ZINC000422635334 297367327 /nfs/dbraw/zinc/36/73/27/297367327.db2.gz LJLQREOWMVIJKR-IPYPFGDCSA-N 2 3 253.434 1.681 20 0 CDADHP C[C@@H]1C[C@H](C)[N@@H+](CCC2CC[NH2+]CC2)C[C@@H]1CN ZINC000422635334 297367330 /nfs/dbraw/zinc/36/73/30/297367330.db2.gz LJLQREOWMVIJKR-IPYPFGDCSA-N 2 3 253.434 1.681 20 0 CDADHP CCCN1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647793304 391631422 /nfs/dbraw/zinc/63/14/22/391631422.db2.gz SVTPQASWRKFHGO-KLHDSHLOSA-N 2 3 265.445 1.696 20 0 CDADHP C[NH+](C)C1CCN(CCN[C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422820568 392262532 /nfs/dbraw/zinc/26/25/32/392262532.db2.gz RHJNULHGCAUWLS-CVEARBPZSA-N 2 3 282.476 1.262 20 0 CDADHP C[NH+](C)Cc1cccc(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422810079 289225931 /nfs/dbraw/zinc/22/59/31/289225931.db2.gz RDFWPUDWZJDQPU-CVEARBPZSA-N 2 3 261.413 1.965 20 0 CDADHP C[NH2+]CC1CC[NH+](Cc2cccc3c2CCNC3)CC1 ZINC000662244749 414583584 /nfs/dbraw/zinc/58/35/84/414583584.db2.gz GWCQPHOCZZHMJP-UHFFFAOYSA-N 2 3 273.424 1.764 20 0 CDADHP C[C@@H]1C[C@H](C)[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]1CN ZINC000422639213 297367293 /nfs/dbraw/zinc/36/72/93/297367293.db2.gz SJXHZBRCOFBMSX-BARDWOONSA-N 2 3 253.434 1.681 20 0 CDADHP C[C@@H]1C[C@H](C)[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]1CN ZINC000422639213 297367294 /nfs/dbraw/zinc/36/72/94/297367294.db2.gz SJXHZBRCOFBMSX-BARDWOONSA-N 2 3 253.434 1.681 20 0 CDADHP C[C@@H]1C[C@H](C)N(CC[C@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000422639213 297367295 /nfs/dbraw/zinc/36/72/95/297367295.db2.gz SJXHZBRCOFBMSX-BARDWOONSA-N 2 3 253.434 1.681 20 0 CDADHP C[C@H]([NH3+])[C@@H]1CCCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903716833 626061542 /nfs/dbraw/zinc/06/15/42/626061542.db2.gz UNJMRDZMWVJWPJ-RRFJBIMHSA-N 2 3 281.444 1.204 20 0 CDADHP [NH3+][C@@H]1CCO[C@@H](C2CCN(C[C@@H]3CCCC[NH2+]C3)CC2)C1 ZINC000903760668 626081359 /nfs/dbraw/zinc/08/13/59/626081359.db2.gz JGLREIAUYOMFEC-DJIMGWMZSA-N 2 3 295.471 1.594 20 0 CDADHP C[C@@H](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N(C)C ZINC000697838937 909321583 /nfs/dbraw/zinc/32/15/83/909321583.db2.gz QUXAFGMIBMMXNE-AWEZNQCLSA-N 2 3 276.428 1.980 20 0 CDADHP C[C@@H]1CC[C@@H](C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)C[NH2+]1 ZINC001246095602 930981637 /nfs/dbraw/zinc/98/16/37/930981637.db2.gz LIRYCBONCMFMOH-YZDRTPDPSA-N 2 3 265.445 1.979 20 0 CDADHP C[C@@H]1C[NH2+]CCC[C@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246097738 930989418 /nfs/dbraw/zinc/98/94/18/930989418.db2.gz OBZFPAPHXCEPGA-LEOABGAYSA-N 2 3 265.445 1.885 20 0 CDADHP C[C@@H]1CC[C@@H](CNC2CCC3(C[NH2+]C3)CC2)[NH2+]C1 ZINC001246102393 931012175 /nfs/dbraw/zinc/01/21/75/931012175.db2.gz DOWQSUOPGQWEEY-OCCSQVGLSA-N 2 3 251.418 1.496 20 0 CDADHP C[NH+]1CCC(CN2CCN(c3cc(N)cc[nH+]3)CC2)CC1 ZINC001157837323 938553775 /nfs/dbraw/zinc/55/37/75/938553775.db2.gz SFAGGSDFXYHDSN-UHFFFAOYSA-N 2 3 289.427 1.128 20 0 CDADHP [NH3+]CCCCC[N@@H+]1C[C@@H](c2ccccc2)C2(CNC2)C1 ZINC001222595780 941618977 /nfs/dbraw/zinc/61/89/77/941618977.db2.gz JDKXBUCWDFAAKN-INIZCTEOSA-N 2 3 273.424 1.804 20 0 CDADHP [NH3+]CCCCC[N@H+]1C[C@@H](c2ccccc2)C2(CNC2)C1 ZINC001222595780 941618978 /nfs/dbraw/zinc/61/89/78/941618978.db2.gz JDKXBUCWDFAAKN-INIZCTEOSA-N 2 3 273.424 1.804 20 0 CDADHP [NH3+]CCCCCN1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595780 941618981 /nfs/dbraw/zinc/61/89/81/941618981.db2.gz JDKXBUCWDFAAKN-INIZCTEOSA-N 2 3 273.424 1.804 20 0 CDADHP CC[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]CC2)CCN1 ZINC001246097587 947950258 /nfs/dbraw/zinc/95/02/58/947950258.db2.gz ZCXRBMFQCCRYIC-ILXRZTDVSA-N 2 3 253.434 1.886 20 0 CDADHP C[C@@H]1CC([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[C@@H](C)N1 ZINC001246206786 948026926 /nfs/dbraw/zinc/02/69/26/948026926.db2.gz TXYRFUXOMYVYEM-AAVRWANBSA-N 2 3 253.434 1.870 20 0 CDADHP C[C@@H]1CC[C@H](NCCCCC[NH+]2CCCC2)C[NH2+]1 ZINC001246270819 948069875 /nfs/dbraw/zinc/06/98/75/948069875.db2.gz NFZYYLFABKVHHP-CABCVRRESA-N 2 3 253.434 1.983 20 0 CDADHP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCC3)CC2)CCN1 ZINC001246363548 948135472 /nfs/dbraw/zinc/13/54/72/948135472.db2.gz FLQQBHUZNYSAEX-DZGCQCFKSA-N 2 3 265.445 1.981 20 0 CDADHP C(N[C@@H]1CCC2(C[NH2+]C2)C1)[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246459296 948184765 /nfs/dbraw/zinc/18/47/65/948184765.db2.gz DWBLRBYYCJUERL-GDBMZVCRSA-N 2 3 263.429 1.640 20 0 CDADHP [NH3+]C[C@]1(O)CCCN([C@H]2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC001246542233 948245444 /nfs/dbraw/zinc/24/54/44/948245444.db2.gz JQLGGKDOMNAOLS-RDJZCZTQSA-N 2 3 295.471 1.617 20 0 CDADHP C[C@@H]1CC[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1CN ZINC001246552873 948259994 /nfs/dbraw/zinc/25/99/94/948259994.db2.gz PQLNFUQAWYJSRU-KFWWJZLASA-N 2 3 265.445 1.825 20 0 CDADHP C[C@@H]1CC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1CN ZINC001246552873 948260002 /nfs/dbraw/zinc/26/00/02/948260002.db2.gz PQLNFUQAWYJSRU-KFWWJZLASA-N 2 3 265.445 1.825 20 0 CDADHP [NH3+]C[C@H]1CN([C@@H]2CCC3(C2)CC[NH2+]CC3)CCC1(F)F ZINC001246565922 948283747 /nfs/dbraw/zinc/28/37/47/948283747.db2.gz ZYGVMAWYNPCAAP-QWHCGFSZSA-N 2 3 287.398 1.825 20 0 CDADHP [NH2+]=C(NC1CCN(Cc2ccccc2)CC1)SCC[NH3+] ZINC001256598036 948361356 /nfs/dbraw/zinc/36/13/56/948361356.db2.gz HGSMNVZNIZMWLN-UHFFFAOYSA-N 2 3 292.452 1.867 20 0 CDADHP C[N@H+](CCC1CC[NH2+]CC1)[C@@H]1CCNC2(CCC2)C1 ZINC001246798861 948446318 /nfs/dbraw/zinc/44/63/18/948446318.db2.gz SVBBATMCSHFKAX-OAHLLOKOSA-N 2 3 265.445 1.983 20 0 CDADHP C[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCNC2(CCC2)C1 ZINC001246798861 948446322 /nfs/dbraw/zinc/44/63/22/948446322.db2.gz SVBBATMCSHFKAX-OAHLLOKOSA-N 2 3 265.445 1.983 20 0 CDADHP C[C@@H]1CN(C2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1[NH3+] ZINC001246881943 948501609 /nfs/dbraw/zinc/50/16/09/948501609.db2.gz PAMNZXGQMHNXEM-OCCSQVGLSA-N 2 3 251.418 1.578 20 0 CDADHP NC[C@]12CCC[C@@H]1C[N@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001550436688 965939772 /nfs/dbraw/zinc/93/97/72/965939772.db2.gz JDTGRPMATKLKMN-HZAFXNSLSA-N 2 3 277.456 1.968 20 0 CDADHP NC[C@]12CCC[C@@H]1C[N@@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001550436688 965939779 /nfs/dbraw/zinc/93/97/79/965939779.db2.gz JDTGRPMATKLKMN-HZAFXNSLSA-N 2 3 277.456 1.968 20 0 CDADHP CN1CCCC[C@H](C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001578528370 1171939791 /nfs/dbraw/zinc/93/97/91/1171939791.db2.gz HARJEGNAEIUYLL-WZYMTQMTSA-N 2 3 265.445 1.839 20 0 CDADHP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)CC[NH2+]1 ZINC000650709797 398152663 /nfs/dbraw/zinc/15/26/63/398152663.db2.gz RAHPXRKIDRVUOY-KBXIAJHMSA-N 2 3 251.418 1.435 20 0 CDADHP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)CC[NH2+]1 ZINC000650709797 398152665 /nfs/dbraw/zinc/15/26/65/398152665.db2.gz RAHPXRKIDRVUOY-KBXIAJHMSA-N 2 3 251.418 1.435 20 0 CDADHP C[C@H]([NH2+]CCCCN1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000154439555 539065021 /nfs/dbraw/zinc/06/50/21/539065021.db2.gz YCJOYAHAROMOCE-INIZCTEOSA-N 2 3 296.503 1.334 20 0 CDADHP C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)C1CC[NH+](C)CC1 ZINC000151001058 539071081 /nfs/dbraw/zinc/07/10/81/539071081.db2.gz ITJHDIJMSHBMHK-HNNXBMFYSA-N 2 3 296.503 1.332 20 0 CDADHP CC(C)[C@H](CN)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000634996232 360626157 /nfs/dbraw/zinc/62/61/57/360626157.db2.gz DMNZMSAFABOTMT-XUWVNRHRSA-N 2 3 283.460 1.436 20 0 CDADHP CC(C)[C@H](CN)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000634996232 360626164 /nfs/dbraw/zinc/62/61/64/360626164.db2.gz DMNZMSAFABOTMT-XUWVNRHRSA-N 2 3 283.460 1.436 20 0 CDADHP CC(C)[C@H](C[NH3+])CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000634996232 360626173 /nfs/dbraw/zinc/62/61/73/360626173.db2.gz DMNZMSAFABOTMT-XUWVNRHRSA-N 2 3 283.460 1.436 20 0 CDADHP C[C@H]1C[C@H](CN2CCC([N@H+](C)CCCO)CC2)CC[NH2+]1 ZINC000414691777 241326952 /nfs/dbraw/zinc/32/69/52/241326952.db2.gz JLVAZDPFJDWBQR-LSDHHAIUSA-N 2 3 283.460 1.153 20 0 CDADHP C[C@H]1C[C@H](CN2CCC([N@@H+](C)CCCO)CC2)CC[NH2+]1 ZINC000414691777 241326957 /nfs/dbraw/zinc/32/69/57/241326957.db2.gz JLVAZDPFJDWBQR-LSDHHAIUSA-N 2 3 283.460 1.153 20 0 CDADHP C[C@H]1C[C@H](C[NH2+][C@@H]2CNC[C@H]2c2ccccc2)CC[NH2+]1 ZINC000415053169 391744686 /nfs/dbraw/zinc/74/46/86/391744686.db2.gz OIWIJAWGALRFLT-HDEZJCGLSA-N 2 3 273.424 1.720 20 0 CDADHP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCC[C@H](N)C2)CC[NH2+]CC1 ZINC000423362860 392543621 /nfs/dbraw/zinc/54/36/21/392543621.db2.gz ILCUOHVADVBXPA-MELADBBJSA-N 2 3 297.443 1.167 20 0 CDADHP C[NH+](C)CCOCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000234263437 289170321 /nfs/dbraw/zinc/17/03/21/289170321.db2.gz OYRJQORPBHZWIZ-OWCLPIDISA-N 2 3 283.460 1.465 20 0 CDADHP C([C@H]1CC[NH2+]C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290141 414618157 /nfs/dbraw/zinc/61/81/57/414618157.db2.gz LBQGNIVULGTQDI-ZFWWWQNUSA-N 2 3 251.418 1.308 20 0 CDADHP CC(C)C[C@H](N)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000414773370 279178974 /nfs/dbraw/zinc/17/89/74/279178974.db2.gz SSGXRZRXUCNFEZ-GJZGRUSLSA-N 2 3 253.434 1.681 20 0 CDADHP CCC1([NH3+])CCN([C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000903948970 626164083 /nfs/dbraw/zinc/16/40/83/626164083.db2.gz WXIIQVZXAIKVMP-BFHYXJOUSA-N 2 3 251.418 1.578 20 0 CDADHP CC(C)[C@@H](C[NH3+])CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903980677 626170677 /nfs/dbraw/zinc/17/06/77/626170677.db2.gz XSFKVVNXWJAVSQ-BHYGNILZSA-N 2 3 294.487 1.118 20 0 CDADHP CC(C)[C@@H](C[NH3+])CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903980677 626170678 /nfs/dbraw/zinc/17/06/78/626170678.db2.gz XSFKVVNXWJAVSQ-BHYGNILZSA-N 2 3 294.487 1.118 20 0 CDADHP CC(C)[C@@H](C[NH3+])CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980677 626170679 /nfs/dbraw/zinc/17/06/79/626170679.db2.gz XSFKVVNXWJAVSQ-BHYGNILZSA-N 2 3 294.487 1.118 20 0 CDADHP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294806 771513523 /nfs/dbraw/zinc/51/35/23/771513523.db2.gz UFIGPDGFUBHPMR-IZGVIRRGSA-N 2 3 279.428 1.018 20 0 CDADHP C(N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CC[NH+](C2CC2)CC1 ZINC000925662135 772439432 /nfs/dbraw/zinc/43/94/32/772439432.db2.gz YIOXOCHSKASNHK-AYIQCDPPSA-N 2 3 275.440 1.447 20 0 CDADHP CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000715556409 773152649 /nfs/dbraw/zinc/15/26/49/773152649.db2.gz CWLVKADXGXIENG-LYYZXLFJSA-N 2 3 265.445 1.837 20 0 CDADHP [NH3+]CCCCCC[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC001236584352 915751992 /nfs/dbraw/zinc/75/19/92/915751992.db2.gz AFHLPIYVFQYQPB-AWEZNQCLSA-N 2 3 253.434 1.970 20 0 CDADHP [NH3+]CCCCCC[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC001236584352 915752006 /nfs/dbraw/zinc/75/20/06/915752006.db2.gz AFHLPIYVFQYQPB-AWEZNQCLSA-N 2 3 253.434 1.970 20 0 CDADHP N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817948645 930641652 /nfs/dbraw/zinc/64/16/52/930641652.db2.gz JDGVYRKDVXOVKN-HZPDHXFCSA-N 2 3 261.413 1.937 20 0 CDADHP C[N@@H+]1CC[C@H](c2ccc(N[C@H](N)CCC[NH3+])cc2)C1 ZINC001170905762 930725359 /nfs/dbraw/zinc/72/53/59/930725359.db2.gz VYGFTIFBBGDKCC-ZFWWWQNUSA-N 2 3 262.401 1.541 20 0 CDADHP C[N@H+]1CC[C@H](c2ccc(N[C@H](N)CCC[NH3+])cc2)C1 ZINC001170905762 930725370 /nfs/dbraw/zinc/72/53/70/930725370.db2.gz VYGFTIFBBGDKCC-ZFWWWQNUSA-N 2 3 262.401 1.541 20 0 CDADHP C[C@@H]([NH3+])CCNc1cccc(N2CCC([NH3+])CC2)n1 ZINC001159777832 938752027 /nfs/dbraw/zinc/75/20/27/938752027.db2.gz DIWZPUZIFHCECN-LLVKDONJSA-N 2 3 263.389 1.158 20 0 CDADHP NCc1cn(-c2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)cn1 ZINC001162304869 938976391 /nfs/dbraw/zinc/97/63/91/938976391.db2.gz WOZKRWFDEHQWFF-UHFFFAOYSA-N 2 3 299.422 1.502 20 0 CDADHP CC[NH+]1CCC(CN2CCC([NH+]3CCC3)CC2)CC1 ZINC001208605088 940349633 /nfs/dbraw/zinc/34/96/33/940349633.db2.gz YLNQTVFLLPGUNO-UHFFFAOYSA-N 2 3 265.445 1.888 20 0 CDADHP [NH3+]CCCC[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235360581 944136061 /nfs/dbraw/zinc/13/60/61/944136061.db2.gz CFWMVORAOFEAML-MSOLQXFVSA-N 2 3 287.451 1.979 20 0 CDADHP [NH3+]CCCC[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235360581 944136063 /nfs/dbraw/zinc/13/60/63/944136063.db2.gz CFWMVORAOFEAML-MSOLQXFVSA-N 2 3 287.451 1.979 20 0 CDADHP c1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc2c1CNC2 ZINC001236321455 944468868 /nfs/dbraw/zinc/46/88/68/944468868.db2.gz RUFNQTQYPWWTRH-IYBDPMFKSA-N 2 3 271.408 1.721 20 0 CDADHP c1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc2c1CNC2 ZINC001236321455 944468870 /nfs/dbraw/zinc/46/88/70/944468870.db2.gz RUFNQTQYPWWTRH-IYBDPMFKSA-N 2 3 271.408 1.721 20 0 CDADHP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246079271 947929909 /nfs/dbraw/zinc/92/99/09/947929909.db2.gz DATMSNUNBPOHHL-QLFBSQMISA-N 2 3 289.439 1.149 20 0 CDADHP C[C@@H]1CC([NH2+]CC2CC3(C2)CC[NH2+]CC3)C[C@@H](C)N1 ZINC001246126489 947973008 /nfs/dbraw/zinc/97/30/08/947973008.db2.gz LNPKHXIBZYIUAI-CHWSQXEVSA-N 2 3 265.445 1.885 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]CC2CC3(C2)CC[NH2+]CC3)C[C@H](C)N1 ZINC001246126483 947973264 /nfs/dbraw/zinc/97/32/64/947973264.db2.gz LNPKHXIBZYIUAI-AGGWBTHJSA-N 2 3 265.445 1.885 20 0 CDADHP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)CCN1 ZINC001246146427 947989198 /nfs/dbraw/zinc/98/91/98/947989198.db2.gz UBZVDTAALWJWAO-YXMSTPNBSA-N 2 3 279.472 1.988 20 0 CDADHP CC(C)(C)[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)CCN1 ZINC001246146423 947989528 /nfs/dbraw/zinc/98/95/28/947989528.db2.gz UBZVDTAALWJWAO-DGADGQDISA-N 2 3 279.472 1.988 20 0 CDADHP NCCC[N@H+](C1CCCCC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246175071 948007785 /nfs/dbraw/zinc/00/77/85/948007785.db2.gz GSUYRZSJBVJIMB-OAHLLOKOSA-N 2 3 280.460 1.064 20 0 CDADHP NCCC[N@@H+](C1CCCCC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246175071 948007797 /nfs/dbraw/zinc/00/77/97/948007797.db2.gz GSUYRZSJBVJIMB-OAHLLOKOSA-N 2 3 280.460 1.064 20 0 CDADHP CCOC(=O)C[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)C1CC[NH2+]CC1 ZINC001246225240 948041210 /nfs/dbraw/zinc/04/12/10/948041210.db2.gz DIZVXQIGYZCXOV-VHDGCEQUSA-N 2 3 297.443 1.038 20 0 CDADHP C[C@@H]1C[C@@H](N2CCC[C@]23CCC[NH2+]CC3)CC[NH2+]1 ZINC001246603664 948336723 /nfs/dbraw/zinc/33/67/23/948336723.db2.gz FOBQBMOWASDKDH-ILXRZTDVSA-N 2 3 251.418 1.735 20 0 CDADHP C[C@H]1C[C@H]([N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CCN1 ZINC001246641957 948380045 /nfs/dbraw/zinc/38/00/45/948380045.db2.gz ALSZSOKQPKIVAK-IMJJTQAJSA-N 2 3 265.445 1.981 20 0 CDADHP C[C@H]1C[C@H]([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CCN1 ZINC001246641957 948380053 /nfs/dbraw/zinc/38/00/53/948380053.db2.gz ALSZSOKQPKIVAK-IMJJTQAJSA-N 2 3 265.445 1.981 20 0 CDADHP NC[C@H]1CCC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246779320 948434748 /nfs/dbraw/zinc/43/47/48/948434748.db2.gz ZEVAKUXJNSHCKM-CQSZACIVSA-N 2 3 265.445 1.970 20 0 CDADHP NC[C@H]1CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246779320 948434752 /nfs/dbraw/zinc/43/47/52/948434752.db2.gz ZEVAKUXJNSHCKM-CQSZACIVSA-N 2 3 265.445 1.970 20 0 CDADHP C1CC2(C[C@H]1[N@@H+]1C[C@@H]3CCNC[C@@H]3C1)CC[NH2+]CC2 ZINC001246844890 948473448 /nfs/dbraw/zinc/47/34/48/948473448.db2.gz JGAPNYLLRPFLQT-ZNMIVQPWSA-N 2 3 263.429 1.450 20 0 CDADHP C1CC2(C[C@H]1[N@H+]1C[C@@H]3CCNC[C@@H]3C1)CC[NH2+]CC2 ZINC001246844890 948473453 /nfs/dbraw/zinc/47/34/53/948473453.db2.gz JGAPNYLLRPFLQT-ZNMIVQPWSA-N 2 3 263.429 1.450 20 0 CDADHP CC[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCN1 ZINC001246935602 948529072 /nfs/dbraw/zinc/52/90/72/948529072.db2.gz VZKRVLJMQVVSKC-LXTVHRRPSA-N 2 3 251.418 1.448 20 0 CDADHP CC[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCN1 ZINC001246935602 948529077 /nfs/dbraw/zinc/52/90/77/948529077.db2.gz VZKRVLJMQVVSKC-LXTVHRRPSA-N 2 3 251.418 1.448 20 0 CDADHP C[C@H]1CN(CCC[NH2+]C[C@@H]2CCC[NH2+]C2)CCCO1 ZINC001576807250 1171527908 /nfs/dbraw/zinc/52/79/08/1171527908.db2.gz ORZXJDLUKLSSJL-LSDHHAIUSA-N 2 3 269.433 1.077 20 0 CDADHP C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415014338 539055683 /nfs/dbraw/zinc/05/56/83/539055683.db2.gz WSYPPNRHQFYHTB-REBRKWNGSA-N 2 3 251.418 1.495 20 0 CDADHP CC[NH+]1CCC(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000156068140 539099253 /nfs/dbraw/zinc/09/92/53/539099253.db2.gz ZBVBRYMARWSWCU-HZPDHXFCSA-N 2 3 265.445 1.935 20 0 CDADHP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](N(C)C)CC2)CC[NH2+]1 ZINC000414730256 297251848 /nfs/dbraw/zinc/25/18/48/297251848.db2.gz AODQVQBXPUGFEQ-ILXRZTDVSA-N 2 3 253.434 1.791 20 0 CDADHP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](N(C)C)CC2)CC[NH2+]1 ZINC000414730256 297251849 /nfs/dbraw/zinc/25/18/49/297251849.db2.gz AODQVQBXPUGFEQ-ILXRZTDVSA-N 2 3 253.434 1.791 20 0 CDADHP C[C@@H]1CCNCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423440457 359791553 /nfs/dbraw/zinc/79/15/53/359791553.db2.gz SZTMCFXLAKFTDB-FAAHXZRKSA-N 2 3 251.418 1.352 20 0 CDADHP C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCC[NH2+]1 ZINC000423564825 299396002 /nfs/dbraw/zinc/39/60/02/299396002.db2.gz YGQZQRSUDZUMAG-AHDPXTMNSA-N 2 3 251.418 1.495 20 0 CDADHP C[C@@H](N)[C@H]1COCC[C@H]1[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000422876650 245362503 /nfs/dbraw/zinc/36/25/03/245362503.db2.gz GOSVPYUMYPMJNQ-BRWVUGGUSA-N 2 3 297.487 1.840 20 0 CDADHP C[NH+](C)CCOc1cccc(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000422898875 245383681 /nfs/dbraw/zinc/38/36/81/245383681.db2.gz NDVMGLRIJLOULL-DOTOQJQBSA-N 2 3 291.439 1.844 20 0 CDADHP C[NH+](C)CCOc1cccc(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000422898877 245383716 /nfs/dbraw/zinc/38/37/16/245383716.db2.gz NDVMGLRIJLOULL-RDJZCZTQSA-N 2 3 291.439 1.844 20 0 CDADHP COc1ccc([C@H](CN)C[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000573689532 371625111 /nfs/dbraw/zinc/62/51/11/371625111.db2.gz OMVQQTDNJFFTCH-MRXNPFEDSA-N 2 3 291.439 1.798 20 0 CDADHP C[C@@H]1C[C@H](C[N@@H+]2CCCC23CCN(C)CC3)CC[NH2+]1 ZINC000334882515 297399256 /nfs/dbraw/zinc/39/92/56/297399256.db2.gz NLFSJXWWJBCOBP-HUUCEWRRSA-N 2 3 265.445 1.935 20 0 CDADHP C[C@@H]1C[C@H](C[N@H+]2CCCC23CCN(C)CC3)CC[NH2+]1 ZINC000334882515 297399258 /nfs/dbraw/zinc/39/92/58/297399258.db2.gz NLFSJXWWJBCOBP-HUUCEWRRSA-N 2 3 265.445 1.935 20 0 CDADHP C([C@@H]1CCCNC1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414775064 391377146 /nfs/dbraw/zinc/37/71/46/391377146.db2.gz GCKJXUROHWPTNE-ILXRZTDVSA-N 2 3 251.418 1.308 20 0 CDADHP C([C@@H]1CCCNC1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414775064 391377149 /nfs/dbraw/zinc/37/71/49/391377149.db2.gz GCKJXUROHWPTNE-ILXRZTDVSA-N 2 3 251.418 1.308 20 0 CDADHP C[C@H]1CCNCC[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000335565716 391445854 /nfs/dbraw/zinc/44/58/54/391445854.db2.gz REZRBEWLMGXZGP-UONOGXRCSA-N 2 3 253.434 1.696 20 0 CDADHP C(CN1CCC[C@H]([NH+]2CCCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000420320902 397696708 /nfs/dbraw/zinc/69/67/08/397696708.db2.gz QSRQTZCRBHXSTR-HOTGVXAUSA-N 2 3 265.445 1.936 20 0 CDADHP CCOCCCN1CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)[C@@H](C)C1 ZINC000422739656 286063531 /nfs/dbraw/zinc/06/35/31/286063531.db2.gz ANPBQKQBJSXHQJ-BBWFWOEESA-N 2 3 297.487 1.855 20 0 CDADHP [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc2c(c1)C[NH2+]CC2 ZINC000656786787 413663953 /nfs/dbraw/zinc/66/39/53/413663953.db2.gz QMRDEZSVVJMQJN-HOCLYGCPSA-N 2 3 259.397 1.549 20 0 CDADHP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC1CC[NH+](C)CC1 ZINC000892232690 617567074 /nfs/dbraw/zinc/56/70/74/617567074.db2.gz AOSPFFZHACMOPB-IXDOHACOSA-N 2 3 295.471 1.512 20 0 CDADHP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925703713 617769818 /nfs/dbraw/zinc/76/98/18/617769818.db2.gz FFRVVZMHMVZIQI-BVUBDWEXSA-N 2 3 265.445 1.872 20 0 CDADHP NCC1([C@@H]2CCCC[N@@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)CCC1 ZINC000903810734 626100444 /nfs/dbraw/zinc/10/04/44/626100444.db2.gz GFNZWIVGNSOSAU-CABCVRRESA-N 2 3 293.455 1.348 20 0 CDADHP NCC1([C@@H]2CCCC[N@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)CCC1 ZINC000903810734 626100446 /nfs/dbraw/zinc/10/04/46/626100446.db2.gz GFNZWIVGNSOSAU-CABCVRRESA-N 2 3 293.455 1.348 20 0 CDADHP CC[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1N ZINC000903874220 626128400 /nfs/dbraw/zinc/12/84/00/626128400.db2.gz VJMFBCSCQKLQCG-OEWLLCOZSA-N 2 3 251.418 1.576 20 0 CDADHP CC[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1N ZINC000903874220 626128403 /nfs/dbraw/zinc/12/84/03/626128403.db2.gz VJMFBCSCQKLQCG-OEWLLCOZSA-N 2 3 251.418 1.576 20 0 CDADHP CC[C@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1[NH3+] ZINC000903874220 626128405 /nfs/dbraw/zinc/12/84/05/626128405.db2.gz VJMFBCSCQKLQCG-OEWLLCOZSA-N 2 3 251.418 1.576 20 0 CDADHP CN1C[C@@H]2CC[C@@H]([NH2+]C3CCC(C[NH3+])CC3)[C@@H]2C1 ZINC001578520900 1171938881 /nfs/dbraw/zinc/93/88/81/1171938881.db2.gz IUFTZJNUCBKFGW-FWJBWGTRSA-N 2 3 251.418 1.434 20 0 CDADHP [NH3+]C1CCC([NH2+]Cc2cc3c(s2)CCNC3)CC1 ZINC000873209789 776805972 /nfs/dbraw/zinc/80/59/72/776805972.db2.gz ROOAUCJZVXJISX-UHFFFAOYSA-N 2 3 265.426 1.753 20 0 CDADHP C[C@]1(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)CCCNC1 ZINC001120371413 937796260 /nfs/dbraw/zinc/79/62/60/937796260.db2.gz YFQUHFWNQFAAKL-HNNXBMFYSA-N 2 3 265.445 1.842 20 0 CDADHP C[C@]1(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)CCCNC1 ZINC001120371413 937796262 /nfs/dbraw/zinc/79/62/62/937796262.db2.gz YFQUHFWNQFAAKL-HNNXBMFYSA-N 2 3 265.445 1.842 20 0 CDADHP CN(C)Cc1ccnc(NCCC[NH2+]CCCC[NH3+])c1 ZINC001162294378 938972725 /nfs/dbraw/zinc/97/27/25/938972725.db2.gz HKPJQEIRBNHZSX-UHFFFAOYSA-N 2 3 279.432 1.274 20 0 CDADHP C[C@@H]1CC[N@H+](CC2CC3(C2)CC[NH2+]CC3)C[C@@H]1N ZINC001205863407 939946629 /nfs/dbraw/zinc/94/66/29/939946629.db2.gz REDRAMCNVIZUPY-OCCSQVGLSA-N 2 3 251.418 1.435 20 0 CDADHP C[C@@H]1CC[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C[C@@H]1N ZINC001205863407 939946630 /nfs/dbraw/zinc/94/66/30/939946630.db2.gz REDRAMCNVIZUPY-OCCSQVGLSA-N 2 3 251.418 1.435 20 0 CDADHP c1cc2n(c1CN1CCC3(CC[NH2+]CC3)CC1)CC[NH2+]C2 ZINC001235131963 944065843 /nfs/dbraw/zinc/06/58/43/944065843.db2.gz BMYNBTYAJKVFMO-UHFFFAOYSA-N 2 3 288.439 1.557 20 0 CDADHP [NH3+][C@@H]1CC[C@@H]2CN(Cc3cc4c(s3)C[NH2+]CC4)C[C@H]12 ZINC001236828226 944584366 /nfs/dbraw/zinc/58/43/66/944584366.db2.gz HKPMKLOFKGMFRI-KWCYVHTRSA-N 2 3 277.437 1.563 20 0 CDADHP C[C@H]1CCN(C[C@H](O)C[NH2+]C(C)(C)C)CC[C@@H]1C[NH3+] ZINC001246017476 947897145 /nfs/dbraw/zinc/89/71/45/947897145.db2.gz AWNKTSPOWYPHMC-BFHYXJOUSA-N 2 3 271.449 1.042 20 0 CDADHP C[C@H]1CC[N@H+](C[C@H](O)CNC(C)(C)C)CC[C@@H]1C[NH3+] ZINC001246017476 947897156 /nfs/dbraw/zinc/89/71/56/947897156.db2.gz AWNKTSPOWYPHMC-BFHYXJOUSA-N 2 3 271.449 1.042 20 0 CDADHP C[C@H]1CC[N@@H+](C[C@H](O)CNC(C)(C)C)CC[C@@H]1C[NH3+] ZINC001246017476 947897166 /nfs/dbraw/zinc/89/71/66/947897166.db2.gz AWNKTSPOWYPHMC-BFHYXJOUSA-N 2 3 271.449 1.042 20 0 CDADHP CC[C@@H]1C[C@@H](NC[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)C[C@H](CC)[NH2+]1 ZINC001246139826 947981846 /nfs/dbraw/zinc/98/18/46/947981846.db2.gz BVPJUSNSVSCXOS-WBAHDQRJSA-N 2 3 295.471 1.510 20 0 CDADHP CCOC(=O)C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)C1CC[NH2+]CC1 ZINC001246225235 948040864 /nfs/dbraw/zinc/04/08/64/948040864.db2.gz DIZVXQIGYZCXOV-BPLDGKMQSA-N 2 3 297.443 1.038 20 0 CDADHP CC(C)([NH3+])CCNCCC(C)(C)[NH2+][C@H]1CCCNC1 ZINC001246349440 948124757 /nfs/dbraw/zinc/12/47/57/948124757.db2.gz YYLYYSJUPGLMSP-ZDUSSCGKSA-N 2 3 270.465 1.214 20 0 CDADHP C[C@H]1C[C@@H](NCCNCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001246405374 948159301 /nfs/dbraw/zinc/15/93/01/948159301.db2.gz NYSSZUXCPJANSQ-RDJZCZTQSA-N 2 3 290.455 1.177 20 0 CDADHP C[C@H]1C[C@@H](NCCNCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001246405374 948159308 /nfs/dbraw/zinc/15/93/08/948159308.db2.gz NYSSZUXCPJANSQ-RDJZCZTQSA-N 2 3 290.455 1.177 20 0 CDADHP CC[C@]1([NH2+]C2CCC3(CC[NH2+]C3)CC2)CCNC1 ZINC001246465711 948188565 /nfs/dbraw/zinc/18/85/65/948188565.db2.gz UAPLDLIJUKTTAS-NRXISQOPSA-N 2 3 251.418 1.640 20 0 CDADHP C1=C[C@H](NC2CCC3(CC[NH2+]CC3)CC2)[C@H]2C[NH2+]C[C@@H]12 ZINC001246471864 948192542 /nfs/dbraw/zinc/19/25/42/948192542.db2.gz CSFDDGPCPPNGCO-KBMXLJTQSA-N 2 3 275.440 1.662 20 0 CDADHP C1CC([C@H]([NH2+][C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C2CNC2)C1 ZINC001246512184 948218926 /nfs/dbraw/zinc/21/89/26/948218926.db2.gz AZXOZTHNRZERTN-IXDOHACOSA-N 2 3 277.456 1.886 20 0 CDADHP NC[C@H]1CCCC[N@@H+](C2CCC3(CC2)C[NH2+]CCO3)C1 ZINC001246597523 948335211 /nfs/dbraw/zinc/33/52/11/948335211.db2.gz XCBNTZUCZKLYED-QQFBHYJXSA-N 2 3 281.444 1.348 20 0 CDADHP NC[C@H]1CCCC[N@H+](C2CCC3(CC2)C[NH2+]CCO3)C1 ZINC001246597523 948335221 /nfs/dbraw/zinc/33/52/21/948335221.db2.gz XCBNTZUCZKLYED-QQFBHYJXSA-N 2 3 281.444 1.348 20 0 CDADHP C1[NH2+]CC12CCC(N1CCOC[C@]3(CCC[NH2+]C3)C1)CC2 ZINC001246648674 948386962 /nfs/dbraw/zinc/38/69/62/948386962.db2.gz ZRJJJXUXSKTAGC-KRWDZBQOSA-N 2 3 293.455 1.221 20 0 CDADHP C1[NH2+]CC12CCC([N@@H+]1CCOC[C@]3(CCCNC3)C1)CC2 ZINC001246648674 948386972 /nfs/dbraw/zinc/38/69/72/948386972.db2.gz ZRJJJXUXSKTAGC-KRWDZBQOSA-N 2 3 293.455 1.221 20 0 CDADHP C1[NH2+]CC12CCC([N@H+]1CCOC[C@]3(CCCNC3)C1)CC2 ZINC001246648674 948386977 /nfs/dbraw/zinc/38/69/77/948386977.db2.gz ZRJJJXUXSKTAGC-KRWDZBQOSA-N 2 3 293.455 1.221 20 0 CDADHP C1[C@@H]2CCNC[C@H]2C[N@@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246843421 948471571 /nfs/dbraw/zinc/47/15/71/948471571.db2.gz GGFMOZRWGUWSDX-GJZGRUSLSA-N 2 3 277.456 1.840 20 0 CDADHP C1[C@@H]2CCNC[C@H]2C[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246843421 948471576 /nfs/dbraw/zinc/47/15/76/948471576.db2.gz GGFMOZRWGUWSDX-GJZGRUSLSA-N 2 3 277.456 1.840 20 0 CDADHP CC(C)[C@@H]1C[C@H](N2CCC(N3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246884380 948500354 /nfs/dbraw/zinc/50/03/54/948500354.db2.gz ALUIVJYONPTMSC-SJORKVTESA-N 2 3 294.487 1.133 20 0 CDADHP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCNCC(C)(C)C2)CC[NH2+]1 ZINC000634733380 358071901 /nfs/dbraw/zinc/07/19/01/358071901.db2.gz DONXLDCQJOFRGB-MGPQQGTHSA-N 2 3 253.434 1.742 20 0 CDADHP CCO[C@H](CC[NH+](C)C)CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422867274 359665274 /nfs/dbraw/zinc/66/52/74/359665274.db2.gz RXFNCNQNZUJADJ-KFWWJZLASA-N 2 3 271.449 1.593 20 0 CDADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1cccc2c1CC[NH2+]C2 ZINC000635010997 360653937 /nfs/dbraw/zinc/65/39/37/360653937.db2.gz OQOXGPXUGPOKBA-DYVFJYSZSA-N 2 3 273.424 1.810 20 0 CDADHP C[C@H]1CC[NH2+]CC[C@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635012198 360656800 /nfs/dbraw/zinc/65/68/00/360656800.db2.gz RWICJHOKJMDMGS-DZGCQCFKSA-N 2 3 289.427 1.291 20 0 CDADHP COc1ccc([C@@H](CN)C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000420281114 244019054 /nfs/dbraw/zinc/01/90/54/244019054.db2.gz ZLXINHZSCVNJRB-HNNXBMFYSA-N 2 3 277.412 1.408 20 0 CDADHP CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422850741 245329099 /nfs/dbraw/zinc/32/90/99/245329099.db2.gz DMVCAQUKAVZRFS-WCXIOVBPSA-N 2 3 297.487 1.854 20 0 CDADHP C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423553428 392591797 /nfs/dbraw/zinc/59/17/97/392591797.db2.gz QMKULIYGDXXANK-RYPNDVFKSA-N 2 3 251.418 1.352 20 0 CDADHP C[C@H]([NH2+]CCCN1CCCC1)C1CC[NH+](C)CC1 ZINC000037220927 173039139 /nfs/dbraw/zinc/03/91/39/173039139.db2.gz MEUXTJJWFHWCTD-AWEZNQCLSA-N 2 3 253.434 1.792 20 0 CDADHP C1[C@@H](N[C@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)[C@@H]1C1CC[NH2+]CC1 ZINC000415001131 276853915 /nfs/dbraw/zinc/85/39/15/276853915.db2.gz CBCFBOQYUOOLQP-JSRQGNBESA-N 2 3 277.456 1.885 20 0 CDADHP CC[C@H](NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423277869 288042587 /nfs/dbraw/zinc/04/25/87/288042587.db2.gz QHGCDFJHYJIBTN-KKUMJFAQSA-N 2 3 253.434 1.886 20 0 CDADHP CC[NH+]1CCC(C[NH2+][C@H]2CCNCC[C@@H]2C)CC1 ZINC000567641266 293828164 /nfs/dbraw/zinc/82/81/64/293828164.db2.gz OWORJVNZHRRRAH-ZFWWWQNUSA-N 2 3 253.434 1.696 20 0 CDADHP CC(C)([NH3+])CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000579837471 324296603 /nfs/dbraw/zinc/29/66/03/324296603.db2.gz CZODSLJAEHQWMV-UHFFFAOYSA-N 2 3 290.455 1.307 20 0 CDADHP CCN(CC)CCC[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349161 482463905 /nfs/dbraw/zinc/46/39/05/482463905.db2.gz CWULRMIHCDGICV-BBWFWOEESA-N 2 3 297.487 1.937 20 0 CDADHP CCN(CC)CCC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349161 482463906 /nfs/dbraw/zinc/46/39/06/482463906.db2.gz CWULRMIHCDGICV-BBWFWOEESA-N 2 3 297.487 1.937 20 0 CDADHP CN(C)CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000666962177 483022879 /nfs/dbraw/zinc/02/28/79/483022879.db2.gz GXHZTJDVAAYGMK-HZPDHXFCSA-N 2 3 291.439 1.844 20 0 CDADHP CC(C)[NH+]1CCC(NCCOCC[NH+](C)C)CC1 ZINC000219305073 535161059 /nfs/dbraw/zinc/16/10/59/535161059.db2.gz WCWWEFWVFHBKOO-UHFFFAOYSA-N 2 3 257.422 1.027 20 0 CDADHP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)C1CNC1 ZINC000925857684 617895739 /nfs/dbraw/zinc/89/57/39/617895739.db2.gz HVZJFKHQKIXGME-GRTSSRMGSA-N 2 3 251.418 1.591 20 0 CDADHP CC(C)(C)[C@H](C[NH3+])NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903752256 626073770 /nfs/dbraw/zinc/07/37/70/626073770.db2.gz LRXCYAPBHCHIQH-OLZOCXBDSA-N 2 3 269.433 1.108 20 0 CDADHP C([NH2+][C@@H]1CCNC2(CCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920522 626146975 /nfs/dbraw/zinc/14/69/75/626146975.db2.gz VNLRMCDNJBQWHE-JALIKCBVSA-N 2 3 263.429 1.781 20 0 CDADHP CC(C)[C@H](C[NH3+])CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959122 626158624 /nfs/dbraw/zinc/15/86/24/626158624.db2.gz AWNNXNJSHJTJOQ-HUUCEWRRSA-N 2 3 253.434 1.683 20 0 CDADHP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293253 783070972 /nfs/dbraw/zinc/07/09/72/783070972.db2.gz JWBMKVVDDKAHFV-ZNMIVQPWSA-N 2 3 281.444 1.395 20 0 CDADHP CC(C)[NH+]1CCC(N2CCC[C@@](O)(C[NH3+])CC2)CC1 ZINC001246540101 931649014 /nfs/dbraw/zinc/64/90/14/931649014.db2.gz CXEWPMMHUSRALN-HNNXBMFYSA-N 2 3 269.433 1.035 20 0 CDADHP [NH3+]C1CCN(c2cccc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@H]34)n2)CC1 ZINC001162797379 939144236 /nfs/dbraw/zinc/14/42/36/939144236.db2.gz MLULWCQQCDUQRH-VHDGCEQUSA-N 2 3 299.422 1.195 20 0 CDADHP CC(C)(C)NC[C@@H](O)C[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245978561 947874122 /nfs/dbraw/zinc/87/41/22/947874122.db2.gz BXPQPSMBJUTYSE-KGLIPLIRSA-N 2 3 283.460 1.247 20 0 CDADHP C[C@H](N)C[N@H+](C)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001246055371 947919723 /nfs/dbraw/zinc/91/97/23/947919723.db2.gz BNLFOCOWQRUSRA-HNNXBMFYSA-N 2 3 291.439 1.293 20 0 CDADHP C[C@H](N)C[N@@H+](C)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001246055371 947919730 /nfs/dbraw/zinc/91/97/30/947919730.db2.gz BNLFOCOWQRUSRA-HNNXBMFYSA-N 2 3 291.439 1.293 20 0 CDADHP CC[NH+](CC)CC[C@@H](C)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246138042 947981798 /nfs/dbraw/zinc/98/17/98/947981798.db2.gz ADJAXDKTXTVHND-HZPDHXFCSA-N 2 3 296.503 1.571 20 0 CDADHP CC1(C)CC(N)CC(C)(C)[NH+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246188666 948019345 /nfs/dbraw/zinc/01/93/45/948019345.db2.gz SYGNGCUEAKTLGX-CYBMUJFWSA-N 2 3 280.460 1.061 20 0 CDADHP C[C@H]1C[C@@H]([NH2+]CCCC2CC[NH+](C)CC2)CCN1 ZINC001246357792 948130277 /nfs/dbraw/zinc/13/02/77/948130277.db2.gz ANBUAAVEEIRIQW-ZFWWWQNUSA-N 2 3 253.434 1.839 20 0 CDADHP CC[NH+](CC)C1CCC([NH2+][C@H]2CC23CNC3)CC1 ZINC001246443900 948177341 /nfs/dbraw/zinc/17/73/41/948177341.db2.gz IHLGOXJHTSNUOT-RUXDESIVSA-N 2 3 251.418 1.591 20 0 CDADHP CC[NH+](CC)C1CCC(N[C@H]2CC23C[NH2+]C3)CC1 ZINC001246443900 948177347 /nfs/dbraw/zinc/17/73/47/948177347.db2.gz IHLGOXJHTSNUOT-RUXDESIVSA-N 2 3 251.418 1.591 20 0 CDADHP C[C@H]1CC[N@@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@@H]1CN ZINC001246549939 948255612 /nfs/dbraw/zinc/25/56/12/948255612.db2.gz IUPFZUIURHDZBF-FXQLRMTLSA-N 2 3 265.445 1.825 20 0 CDADHP C[C@H]1CC[N@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@@H]1CN ZINC001246549939 948255619 /nfs/dbraw/zinc/25/56/19/948255619.db2.gz IUPFZUIURHDZBF-FXQLRMTLSA-N 2 3 265.445 1.825 20 0 CDADHP C[C@@H]1CC[N@@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@@H]1CN ZINC001246549952 948256363 /nfs/dbraw/zinc/25/63/63/948256363.db2.gz IUPFZUIURHDZBF-QVOMUQBLSA-N 2 3 265.445 1.825 20 0 CDADHP C[C@@H]1CC[N@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@@H]1CN ZINC001246549952 948256372 /nfs/dbraw/zinc/25/63/72/948256372.db2.gz IUPFZUIURHDZBF-QVOMUQBLSA-N 2 3 265.445 1.825 20 0 CDADHP NC[C@@H]1C[N@@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)CCC1(F)F ZINC001246558074 948271596 /nfs/dbraw/zinc/27/15/96/948271596.db2.gz OBHAVQIVLPGYHP-RDBSUJKOSA-N 2 3 287.398 1.825 20 0 CDADHP NC[C@@H]1C[N@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)CCC1(F)F ZINC001246558074 948271604 /nfs/dbraw/zinc/27/16/04/948271604.db2.gz OBHAVQIVLPGYHP-RDBSUJKOSA-N 2 3 287.398 1.825 20 0 CDADHP [NH3+]C[C@@H]1CN([C@H]2CCC[C@]3(CC[NH2+]C3)C2)CCC1(F)F ZINC001246558074 948271612 /nfs/dbraw/zinc/27/16/12/948271612.db2.gz OBHAVQIVLPGYHP-RDBSUJKOSA-N 2 3 287.398 1.825 20 0 CDADHP C[C@@H]1C[N@@H+]([C@@H]2CCNC3(CCC3)C2)CCC[C@H]1C[NH3+] ZINC001246567941 948285864 /nfs/dbraw/zinc/28/58/64/948285864.db2.gz NFEHBWIAQYXOBJ-QLFBSQMISA-N 2 3 265.445 1.968 20 0 CDADHP C[C@@H]1C[N@H+]([C@@H]2CCNC3(CCC3)C2)CCC[C@H]1C[NH3+] ZINC001246567941 948285873 /nfs/dbraw/zinc/28/58/73/948285873.db2.gz NFEHBWIAQYXOBJ-QLFBSQMISA-N 2 3 265.445 1.968 20 0 CDADHP F[C@@H]1CCNC[C@]12CC[N@@H+]([C@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246695836 948406106 /nfs/dbraw/zinc/40/61/06/948406106.db2.gz SVZJMCWUFBUYFR-HZMVEIRTSA-N 2 3 295.446 1.932 20 0 CDADHP F[C@@H]1CCNC[C@]12CC[N@H+]([C@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246695836 948406114 /nfs/dbraw/zinc/40/61/14/948406114.db2.gz SVZJMCWUFBUYFR-HZMVEIRTSA-N 2 3 295.446 1.932 20 0 CDADHP CN([C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246947210 948534617 /nfs/dbraw/zinc/53/46/17/948534617.db2.gz JPULPPTYHJKKOE-FICVDOATSA-N 2 3 263.429 1.448 20 0 CDADHP CN([C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246949534 948536128 /nfs/dbraw/zinc/53/61/28/948536128.db2.gz TWZYUMFWMAOCJB-PJPMVMIDSA-N 2 3 263.429 1.448 20 0 CDADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@@]2(CN)C1 ZINC001549309569 968131506 /nfs/dbraw/zinc/13/15/06/968131506.db2.gz BITFJUWQINSWGV-APIJFGDWSA-N 2 3 251.418 1.293 20 0 CDADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1C[C@@H]2CCC[C@@]2(CN)C1 ZINC001549309569 968131513 /nfs/dbraw/zinc/13/15/13/968131513.db2.gz BITFJUWQINSWGV-APIJFGDWSA-N 2 3 251.418 1.293 20 0 CDADHP C([NH2+]C1CCN(C2CCCC2)CC1)C1CC[NH2+]CC1 ZINC000584107241 357215023 /nfs/dbraw/zinc/21/50/23/357215023.db2.gz ZOHMVSPBULDPMI-UHFFFAOYSA-N 2 3 265.445 1.983 20 0 CDADHP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000423429814 359783674 /nfs/dbraw/zinc/78/36/74/359783674.db2.gz STGJOYRULMQELP-FPCVCCKLSA-N 2 3 265.445 1.968 20 0 CDADHP C[C@H]([NH3+])C[C@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635007908 360658199 /nfs/dbraw/zinc/65/81/99/360658199.db2.gz BRAZJVHIPROFIK-RYUDHWBXSA-N 2 3 263.389 1.029 20 0 CDADHP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](CN3CCCC3)C2)CC[NH2+]1 ZINC000414705165 241340193 /nfs/dbraw/zinc/34/01/93/241340193.db2.gz NPPNZOFJSHXPCW-OWCLPIDISA-N 2 3 265.445 1.792 20 0 CDADHP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](CN3CCCC3)C2)CC[NH2+]1 ZINC000414705165 241340195 /nfs/dbraw/zinc/34/01/95/241340195.db2.gz NPPNZOFJSHXPCW-OWCLPIDISA-N 2 3 265.445 1.792 20 0 CDADHP [NH3+]CC1(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647544575 390986335 /nfs/dbraw/zinc/98/63/35/390986335.db2.gz ZNZNNQNVHLNNMC-UONOGXRCSA-N 2 3 251.418 1.437 20 0 CDADHP CN(C)CCOc1ccccc1C[NH2+]C1CCC([NH3+])CC1 ZINC000415088260 391008990 /nfs/dbraw/zinc/00/89/90/391008990.db2.gz WAAITZCCWINXTG-UHFFFAOYSA-N 2 3 291.439 1.987 20 0 CDADHP COCC1(C[NH2+][C@@H]2CCCC[C@H]2CN)CC[NH2+]CC1 ZINC000423407268 392556145 /nfs/dbraw/zinc/55/61/45/392556145.db2.gz MFUNGGWNFRLXCV-UONOGXRCSA-N 2 3 269.433 1.110 20 0 CDADHP COCC1(CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)CC[NH2+]CC1 ZINC000414975936 292249208 /nfs/dbraw/zinc/24/92/08/292249208.db2.gz OUNBCNKRZSQFBP-CVEARBPZSA-N 2 3 297.487 1.903 20 0 CDADHP C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652339988 424260780 /nfs/dbraw/zinc/26/07/80/424260780.db2.gz WSDPVLVOOVFCCK-IUODEOHRSA-N 2 3 259.397 1.501 20 0 CDADHP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CC1CC[NH2+]CC1 ZINC000261944940 289333801 /nfs/dbraw/zinc/33/38/01/289333801.db2.gz NFSWYBMPJUSYFX-PMPSAXMXSA-N 2 3 281.444 1.170 20 0 CDADHP C[C@]1(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)CCC[NH2+]C1 ZINC000904373733 626269307 /nfs/dbraw/zinc/26/93/07/626269307.db2.gz VRIHOTICVYIBGN-BBWFWOEESA-N 2 3 295.471 1.594 20 0 CDADHP C[C@H]1CC2(C[N@@H+]1C[C@@]1(C)CCCNC1)CC[NH2+]CC2 ZINC000904374327 626269451 /nfs/dbraw/zinc/26/94/51/626269451.db2.gz PXCUELFRFVDHDK-GJZGRUSLSA-N 2 3 265.445 1.840 20 0 CDADHP C[C@H]1CC2(C[N@H+]1C[C@@]1(C)CCCNC1)CC[NH2+]CC2 ZINC000904374327 626269452 /nfs/dbraw/zinc/26/94/52/626269452.db2.gz PXCUELFRFVDHDK-GJZGRUSLSA-N 2 3 265.445 1.840 20 0 CDADHP CC[NH+](CC)Cc1cc(OC)ccc1N[C@@H](N)CCC[NH3+] ZINC001170902919 930707841 /nfs/dbraw/zinc/70/78/41/930707841.db2.gz HJGCAWOXXJKRAL-MRXNPFEDSA-N 2 3 294.443 1.973 20 0 CDADHP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CCN1 ZINC001246144398 931100821 /nfs/dbraw/zinc/10/08/21/931100821.db2.gz LTWLKUVHUGLZCB-JKJDWNRSSA-N 2 3 265.445 1.742 20 0 CDADHP [NH3+]CCCC[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235360583 944135433 /nfs/dbraw/zinc/13/54/33/944135433.db2.gz CFWMVORAOFEAML-ROUUACIJSA-N 2 3 287.451 1.979 20 0 CDADHP [NH3+]CCCC[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235360583 944135435 /nfs/dbraw/zinc/13/54/35/944135435.db2.gz CFWMVORAOFEAML-ROUUACIJSA-N 2 3 287.451 1.979 20 0 CDADHP C[C@]1([NH2+]C2CCC3(CCC[NH2+]C3)CC2)CCNC1 ZINC001246096556 947947929 /nfs/dbraw/zinc/94/79/29/947947929.db2.gz KRAGRMUDMHSKAK-SLTAFYQDSA-N 2 3 251.418 1.640 20 0 CDADHP F[C@]1(CNC2CCC3(CC[NH2+]C3)CC2)CCCC[NH2+]C1 ZINC001246107126 947956870 /nfs/dbraw/zinc/95/68/70/947956870.db2.gz FFXWKAPOJRFERY-UYSNPLJNSA-N 2 3 283.435 1.980 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC001246107536 947957891 /nfs/dbraw/zinc/95/78/91/947957891.db2.gz CADHPYMJLCKFFG-SIXLDLHFSA-N 2 3 273.424 1.925 20 0 CDADHP C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246139487 947983269 /nfs/dbraw/zinc/98/32/69/947983269.db2.gz DAWZCRJMVRJRHL-GJZGRUSLSA-N 2 3 292.471 1.125 20 0 CDADHP CCCC[C@@H]1C[C@H]([NH2+]CC[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCN1 ZINC001246151770 947993666 /nfs/dbraw/zinc/99/36/66/947993666.db2.gz RCCZZGBTXCNZNY-QCODTGAPSA-N 2 3 265.445 1.742 20 0 CDADHP CCOC(=O)C[C@@H]([NH2+][C@@H]1CCCCNC1)C1CC[NH2+]CC1 ZINC001246229917 948042994 /nfs/dbraw/zinc/04/29/94/948042994.db2.gz QAUZJRNJSWCBNX-HUUCEWRRSA-N 2 3 297.443 1.040 20 0 CDADHP CN[C@H]1C[C@H]([NH2+]C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246459302 948184822 /nfs/dbraw/zinc/18/48/22/948184822.db2.gz DWNHZLAKKHMGCA-GZYXLSHKSA-N 2 3 251.418 1.639 20 0 CDADHP CC[C@]1([NH2+][C@H]2CCC[C@]3(CC[NH2+]C3)C2)CCNC1 ZINC001246459478 948184867 /nfs/dbraw/zinc/18/48/67/948184867.db2.gz KJDFZGWCDIZPBT-KKUMJFAQSA-N 2 3 251.418 1.640 20 0 CDADHP [NH3+]C[C@@]1(F)CCC[N@@H+]([C@@H]2CCNC3(CCC3)C2)CC1 ZINC001246545198 948250447 /nfs/dbraw/zinc/25/04/47/948250447.db2.gz AMJRSTJYZUMDQI-ZIAGYGMSSA-N 2 3 269.408 1.814 20 0 CDADHP [NH3+]C[C@@]1(F)CCC[N@H+]([C@@H]2CCNC3(CCC3)C2)CC1 ZINC001246545198 948250454 /nfs/dbraw/zinc/25/04/54/948250454.db2.gz AMJRSTJYZUMDQI-ZIAGYGMSSA-N 2 3 269.408 1.814 20 0 CDADHP CC[C@@H]1C[C@H](N2CCC[C@](O)(C[NH3+])CC2)C[C@H](CC)[NH2+]1 ZINC001246546024 948253339 /nfs/dbraw/zinc/25/33/39/948253339.db2.gz XVZJHKDUCSWTCM-FXUDXRNXSA-N 2 3 283.460 1.471 20 0 CDADHP C[NH+](C)C1CCC(N2CCC(F)(F)[C@H](C[NH3+])C2)CC1 ZINC001246562674 948279919 /nfs/dbraw/zinc/27/99/19/948279919.db2.gz ZGVOYSUUEVXHQZ-PNESKVBLSA-N 2 3 275.387 1.775 20 0 CDADHP C1C[C@H]2CC(N3CCC(C4CC[NH2+]CC4)CC3)C[C@@H]1[NH2+]2 ZINC001246798734 948445960 /nfs/dbraw/zinc/44/59/60/948445960.db2.gz XXLZRBNLQPGAHU-SJPCQFCGSA-N 2 3 277.456 1.981 20 0 CDADHP C1CC2(C[C@H]1[N@@H+]1C[C@@H]3CCNC[C@H]3C1)CC[NH2+]CC2 ZINC001246844883 948473883 /nfs/dbraw/zinc/47/38/83/948473883.db2.gz JGAPNYLLRPFLQT-KKUMJFAQSA-N 2 3 263.429 1.450 20 0 CDADHP C1CC2(C[C@H]1[N@H+]1C[C@@H]3CCNC[C@H]3C1)CC[NH2+]CC2 ZINC001246844883 948473888 /nfs/dbraw/zinc/47/38/88/948473888.db2.gz JGAPNYLLRPFLQT-KKUMJFAQSA-N 2 3 263.429 1.450 20 0 CDADHP C[NH2+]C1CCC([N@H+](C[C@@H]2CCCNC2)C2CC2)CC1 ZINC001246977321 948558099 /nfs/dbraw/zinc/55/80/99/948558099.db2.gz YNKIEOBCEZBGCC-WLYUNCDWSA-N 2 3 265.445 1.981 20 0 CDADHP C[NH2+]C1CCC([N@@H+](C[C@@H]2CCCNC2)C2CC2)CC1 ZINC001246977321 948558105 /nfs/dbraw/zinc/55/81/05/948558105.db2.gz YNKIEOBCEZBGCC-WLYUNCDWSA-N 2 3 265.445 1.981 20 0 CDADHP C[NH+]1CCC(C[NH2+]C[C@H]2CN3CCC2CC3)CC1 ZINC001308966614 956605258 /nfs/dbraw/zinc/60/52/58/956605258.db2.gz VXNNWYKVERWCFH-HNNXBMFYSA-N 2 3 251.418 1.260 20 0 CDADHP C[C@@]12C[NH2+]C[C@@H]1CN(CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001550437696 965939267 /nfs/dbraw/zinc/93/92/67/965939267.db2.gz ZDRRDYCRDZICFL-USNXZVQNSA-N 2 3 263.429 1.448 20 0 CDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@H]1CCC[N@H+](C)C1 ZINC000849041042 969427572 /nfs/dbraw/zinc/42/75/72/969427572.db2.gz INZAPTJLBUFZPE-HUUCEWRRSA-N 2 3 295.475 1.317 20 0 CDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@H]1CCC[N@@H+](C)C1 ZINC000849041042 969427575 /nfs/dbraw/zinc/42/75/75/969427575.db2.gz INZAPTJLBUFZPE-HUUCEWRRSA-N 2 3 295.475 1.317 20 0 CDADHP CCN1CCC[C@H]1CNC(=[NH2+])NCC[C@H]1CCC[N@H+](C)C1 ZINC000849041040 969427833 /nfs/dbraw/zinc/42/78/33/969427833.db2.gz INZAPTJLBUFZPE-CABCVRRESA-N 2 3 295.475 1.317 20 0 CDADHP CCN1CCC[C@H]1CNC(=[NH2+])NCC[C@H]1CCC[N@@H+](C)C1 ZINC000849041040 969427838 /nfs/dbraw/zinc/42/78/38/969427838.db2.gz INZAPTJLBUFZPE-CABCVRRESA-N 2 3 295.475 1.317 20 0 CDADHP CC(C)C[C@@H](N)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000414649977 365547099 /nfs/dbraw/zinc/54/70/99/365547099.db2.gz CQSLLHHYWYUCRW-CABCVRRESA-N 2 3 253.434 1.824 20 0 CDADHP C(C[N@@H+]1CC[C@@]2(C1)CCCNC2)[C@@H]1CCC[NH2+]C1 ZINC000335005466 539060384 /nfs/dbraw/zinc/06/03/84/539060384.db2.gz BDEUQYVFXLULIW-GJZGRUSLSA-N 2 3 251.418 1.452 20 0 CDADHP C(C[N@H+]1CC[C@@]2(C1)CCCNC2)[C@@H]1CCC[NH2+]C1 ZINC000335005466 539060385 /nfs/dbraw/zinc/06/03/85/539060385.db2.gz BDEUQYVFXLULIW-GJZGRUSLSA-N 2 3 251.418 1.452 20 0 CDADHP C[C@@H]1C[C@H](CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC[NH2+]1 ZINC000414742260 366051766 /nfs/dbraw/zinc/05/17/66/366051766.db2.gz FXXMCKUDYNBWKV-NQNKBUKLSA-N 2 3 295.471 1.558 20 0 CDADHP [NH3+][C@H]1CCC[C@@H](NCc2cccc3c2CC[NH2+]C3)C1 ZINC000635004909 360648943 /nfs/dbraw/zinc/64/89/43/360648943.db2.gz RECYZNMQNALEKN-LSDHHAIUSA-N 2 3 259.397 1.692 20 0 CDADHP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc4c(c3)C[NH2+]CC4)C[C@@H]21 ZINC000564733499 370250134 /nfs/dbraw/zinc/25/01/34/370250134.db2.gz VGMKUQVHNJXVFJ-BPQIPLTHSA-N 2 3 285.435 1.892 20 0 CDADHP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)C1CNC1 ZINC000422881088 245367499 /nfs/dbraw/zinc/36/74/99/245367499.db2.gz NLMYREZAQKFGOQ-KGLIPLIRSA-N 2 3 253.434 1.696 20 0 CDADHP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1CNC1 ZINC000422881088 245367502 /nfs/dbraw/zinc/36/75/02/245367502.db2.gz NLMYREZAQKFGOQ-KGLIPLIRSA-N 2 3 253.434 1.696 20 0 CDADHP CC[NH+](CC)CCOCCN[C@H]1CCC[C@H]1C[NH3+] ZINC000423034138 392288991 /nfs/dbraw/zinc/28/89/91/392288991.db2.gz HHSIVUBQKMEYLY-KBPBESRZSA-N 2 3 257.422 1.062 20 0 CDADHP c1cc2c(cc1C[NH2+]CCC[C@H]1CCC[NH2+]1)CNCC2 ZINC000656785656 413661814 /nfs/dbraw/zinc/66/18/14/413661814.db2.gz HZWZBRCEQFMVBI-KRWDZBQOSA-N 2 3 273.424 1.954 20 0 CDADHP C([C@H]1CCC[NH2+]C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656787031 413664824 /nfs/dbraw/zinc/66/48/24/413664824.db2.gz RKLQGQCWMJRNSY-HOCLYGCPSA-N 2 3 265.445 1.698 20 0 CDADHP NC[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665300061 414042312 /nfs/dbraw/zinc/04/23/12/414042312.db2.gz XQJLNVHKJHOIOV-JKSUJKDBSA-N 2 3 265.445 1.825 20 0 CDADHP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)C1 ZINC000902339037 624669982 /nfs/dbraw/zinc/66/99/82/624669982.db2.gz PZMNDSOBNJTSPZ-KBPBESRZSA-N 2 3 265.445 1.839 20 0 CDADHP C[C@H](NC[C@@H]1CCCCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000902485082 624893230 /nfs/dbraw/zinc/89/32/30/624893230.db2.gz YUWFRPKIYMEICO-ZFWWWQNUSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@H]([NH3+])[C@H]1CCCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903716832 626061780 /nfs/dbraw/zinc/06/17/80/626061780.db2.gz UNJMRDZMWVJWPJ-KKUMJFAQSA-N 2 3 281.444 1.204 20 0 CDADHP CC(C)(C)[C@]1(CN)CC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903778500 626090801 /nfs/dbraw/zinc/09/08/01/626090801.db2.gz NQZQIMUWENUPED-OIISXLGYSA-N 2 3 295.471 1.452 20 0 CDADHP CC(C)(C)[C@]1(CN)CC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903778500 626090803 /nfs/dbraw/zinc/09/08/03/626090803.db2.gz NQZQIMUWENUPED-OIISXLGYSA-N 2 3 295.471 1.452 20 0 CDADHP C[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1CN ZINC000903930067 626151071 /nfs/dbraw/zinc/15/10/71/626151071.db2.gz RDVYIBPCLXXCTL-ZWBVZUSMSA-N 2 3 251.418 1.434 20 0 CDADHP C[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1CN ZINC000903930067 626151072 /nfs/dbraw/zinc/15/10/72/626151072.db2.gz RDVYIBPCLXXCTL-ZWBVZUSMSA-N 2 3 251.418 1.434 20 0 CDADHP CC(C)CN1CCC([NH2+]CC2CC[NH+](CCO)CC2)CC1 ZINC000151790737 1178105655 /nfs/dbraw/zinc/10/56/55/1178105655.db2.gz SERBTQDKUVOJJS-UHFFFAOYSA-N 2 3 297.487 1.401 20 0 CDADHP COc1ccc([C@H](C[NH3+])CN2CC[C@H](CC[NH3+])C2)cc1 ZINC000923481644 784935692 /nfs/dbraw/zinc/93/56/92/784935692.db2.gz TXHZBCBBQKQNAB-DZGCQCFKSA-N 2 3 277.412 1.408 20 0 CDADHP C[N@@H+]1CCC[C@@H](N2CCN(CCCCCCC[NH3+])CC2)C1 ZINC000844221471 784961307 /nfs/dbraw/zinc/96/13/07/784961307.db2.gz NWTURBZEEXLKFL-QGZVFWFLSA-N 2 3 296.503 1.607 20 0 CDADHP C[N@H+]1CCC[C@@H](N2CCN(CCCCCCC[NH3+])CC2)C1 ZINC000844221471 784961332 /nfs/dbraw/zinc/96/13/32/784961332.db2.gz NWTURBZEEXLKFL-QGZVFWFLSA-N 2 3 296.503 1.607 20 0 CDADHP CC[NH+]1CCC(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000381271115 789060981 /nfs/dbraw/zinc/06/09/81/789060981.db2.gz CLVGGAVICQTROV-RFBLXINOSA-N 2 3 263.429 1.304 20 0 CDADHP C[C@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1[NH3+] ZINC000923292531 789841866 /nfs/dbraw/zinc/84/18/66/789841866.db2.gz ZAEDJUQRULQAIJ-MNFFZHCASA-N 2 3 251.418 1.576 20 0 CDADHP C[C@@H]1CC[C@H](NCCCC2CC[NH+](C)CC2)C[NH2+]1 ZINC001246362422 931483823 /nfs/dbraw/zinc/48/38/23/931483823.db2.gz LHZKADJEPXONPK-HIFRSBDPSA-N 2 3 253.434 1.839 20 0 CDADHP F[C@H]1C[NH2+]CC[C@H]1C[NH2+][C@H]1CCNC2(CCC2)C1 ZINC001246475445 931510664 /nfs/dbraw/zinc/51/06/64/931510664.db2.gz FUQCAKCPMWEDHD-AVGNSLFASA-N 2 3 255.381 1.198 20 0 CDADHP C[C@@H]1CC[N@@H+]([C@@H]2CCNC3(CCC3)C2)CC[C@@H]1C[NH3+] ZINC001246560704 931784560 /nfs/dbraw/zinc/78/45/60/931784560.db2.gz SBMFVVABMUBZQO-RBSFLKMASA-N 2 3 265.445 1.968 20 0 CDADHP C[C@@H]1CC[N@H+]([C@@H]2CCNC3(CCC3)C2)CC[C@@H]1C[NH3+] ZINC001246560704 931784564 /nfs/dbraw/zinc/78/45/64/931784564.db2.gz SBMFVVABMUBZQO-RBSFLKMASA-N 2 3 265.445 1.968 20 0 CDADHP c1cc2c(cc1CN1CC3(C1)CCC[NH2+]CC3)CC[NH2+]C2 ZINC001236009553 944370811 /nfs/dbraw/zinc/37/08/11/944370811.db2.gz VFPCTYHARHVCQQ-UHFFFAOYSA-N 2 3 285.435 1.908 20 0 CDADHP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CCN1 ZINC001246140687 947984975 /nfs/dbraw/zinc/98/49/75/947984975.db2.gz BUNLDXYEDOJFOF-QMIVOQANSA-N 2 3 251.418 1.352 20 0 CDADHP C(N[C@H]1CCCC[NH2+]C1)[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001246145488 947986814 /nfs/dbraw/zinc/98/68/14/947986814.db2.gz PMYFNRRBLUFVEA-QPSCCSFWSA-N 2 3 251.418 1.354 20 0 CDADHP C(N[C@@H]1CCCC[NH2+]C1)[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001246145487 947987464 /nfs/dbraw/zinc/98/74/64/947987464.db2.gz PMYFNRRBLUFVEA-BARDWOONSA-N 2 3 251.418 1.354 20 0 CDADHP CC(C)[NH+]1CCC(NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001246146967 947988532 /nfs/dbraw/zinc/98/85/32/947988532.db2.gz OYZMQWFFMIPBSE-INIZCTEOSA-N 2 3 294.487 1.323 20 0 CDADHP C[C@H]1C[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C[C@H]1CN ZINC001246541086 948243582 /nfs/dbraw/zinc/24/35/82/948243582.db2.gz LOGVRFKPSZUPHP-QRNKSROTSA-N 2 3 265.445 1.825 20 0 CDADHP C[C@H]1C[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)C[C@H]1CN ZINC001246541086 948243577 /nfs/dbraw/zinc/24/35/77/948243577.db2.gz LOGVRFKPSZUPHP-QRNKSROTSA-N 2 3 265.445 1.825 20 0 CDADHP C[C@@H]1CC[N@@H+]([C@@H]2CCNC(C)(C)C2)CC[C@@H]1C[NH3+] ZINC001246556939 948266111 /nfs/dbraw/zinc/26/61/11/948266111.db2.gz ILRDGNJNQKOHOK-MGPQQGTHSA-N 2 3 253.434 1.824 20 0 CDADHP C[C@@H]1CC[N@H+]([C@@H]2CCNC(C)(C)C2)CC[C@@H]1C[NH3+] ZINC001246556939 948266117 /nfs/dbraw/zinc/26/61/17/948266117.db2.gz ILRDGNJNQKOHOK-MGPQQGTHSA-N 2 3 253.434 1.824 20 0 CDADHP CC[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CCN1 ZINC001246558969 948270027 /nfs/dbraw/zinc/27/00/27/948270027.db2.gz OGBJTSAZKVTLPL-KBUPBQIOSA-N 2 3 253.434 1.824 20 0 CDADHP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CCN1 ZINC001246558969 948270037 /nfs/dbraw/zinc/27/00/37/948270037.db2.gz OGBJTSAZKVTLPL-KBUPBQIOSA-N 2 3 253.434 1.824 20 0 CDADHP CCCC[C@@H]1C[C@@H](N2CC[C@H]3C[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001246624459 948359208 /nfs/dbraw/zinc/35/92/08/948359208.db2.gz PXXGLTLFWQSVQJ-XUWVNRHRSA-N 2 3 265.445 1.981 20 0 CDADHP CC(C)(C)[C@@H]1C[C@@H](N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CC[NH2+]1 ZINC001246631868 948368517 /nfs/dbraw/zinc/36/85/17/948368517.db2.gz UAHOLFNRGFSXBG-QXSJWSMHSA-N 2 3 295.471 1.463 20 0 CDADHP C[NH2+]CC1CCN([C@H]2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC001246782533 948434419 /nfs/dbraw/zinc/43/44/19/948434419.db2.gz SRVHXEPNGBZJCM-LSDHHAIUSA-N 2 3 253.434 1.694 20 0 CDADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC001553024854 964488584 /nfs/dbraw/zinc/48/85/84/964488584.db2.gz SFCJFDQCAYCHLN-KLOLGFOXSA-N 2 3 277.456 1.741 20 0 CDADHP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3CCC[C@@]3(CN)C2)CC[NH2+]1 ZINC001549088329 968006808 /nfs/dbraw/zinc/00/68/08/968006808.db2.gz RAHPXRKIDRVUOY-APIJFGDWSA-N 2 3 251.418 1.435 20 0 CDADHP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CCC[C@@]3(CN)C2)CC[NH2+]1 ZINC001549088329 968006821 /nfs/dbraw/zinc/00/68/21/968006821.db2.gz RAHPXRKIDRVUOY-APIJFGDWSA-N 2 3 251.418 1.435 20 0 CDADHP C([NH2+]C1CCN(CC2CC[NH2+]CC2)CC1)C1CC1 ZINC000262311584 359154550 /nfs/dbraw/zinc/15/45/50/359154550.db2.gz ZANGIKDAKAUVNF-UHFFFAOYSA-N 2 3 251.418 1.450 20 0 CDADHP C[C@H]1CN(Cc2cccc3c2CC[NH2+]C3)C[C@H]1C[NH3+] ZINC000630077817 367347956 /nfs/dbraw/zinc/34/79/56/367347956.db2.gz QOXQZEVGCWBBNP-SWLSCSKDSA-N 2 3 259.397 1.359 20 0 CDADHP C[N@@H+]1CCC(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000540896759 368566087 /nfs/dbraw/zinc/56/60/87/368566087.db2.gz PUQLXAMUAXQCMU-OAHLLOKOSA-N 2 3 293.455 1.709 20 0 CDADHP C[N@H+]1CCC(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000540896759 368566094 /nfs/dbraw/zinc/56/60/94/368566094.db2.gz PUQLXAMUAXQCMU-OAHLLOKOSA-N 2 3 293.455 1.709 20 0 CDADHP OC[C@@H]1CCC[N@@H+]1CCCCN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000305350358 371067896 /nfs/dbraw/zinc/06/78/96/371067896.db2.gz QVUPLPYBRJMYNF-ULQDDVLXSA-N 2 3 295.471 1.440 20 0 CDADHP OC[C@@H]1CCC[N@H+]1CCCCN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000305350358 371067902 /nfs/dbraw/zinc/06/79/02/371067902.db2.gz QVUPLPYBRJMYNF-ULQDDVLXSA-N 2 3 295.471 1.440 20 0 CDADHP OC[C@@H]1CCC[NH+]1CCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000305350358 371067909 /nfs/dbraw/zinc/06/79/09/371067909.db2.gz QVUPLPYBRJMYNF-ULQDDVLXSA-N 2 3 295.471 1.440 20 0 CDADHP OC[C@@H]1CCC[NH+]1CCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000305350358 371067913 /nfs/dbraw/zinc/06/79/13/371067913.db2.gz QVUPLPYBRJMYNF-ULQDDVLXSA-N 2 3 295.471 1.440 20 0 CDADHP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000305350358 371067918 /nfs/dbraw/zinc/06/79/18/371067918.db2.gz QVUPLPYBRJMYNF-ULQDDVLXSA-N 2 3 295.471 1.440 20 0 CDADHP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000305350358 371067924 /nfs/dbraw/zinc/06/79/24/371067924.db2.gz QVUPLPYBRJMYNF-ULQDDVLXSA-N 2 3 295.471 1.440 20 0 CDADHP C[C@H](C[C@H](C)[NH3+])NCc1ccc(OCC[NH+](C)C)cc1 ZINC000422905623 245390012 /nfs/dbraw/zinc/39/00/12/245390012.db2.gz ZKJMMJFLGOKHLN-UONOGXRCSA-N 2 3 279.428 1.842 20 0 CDADHP C[C@H]1CCC[N@H+](CCCCNC[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000581483314 373032866 /nfs/dbraw/zinc/03/28/66/373032866.db2.gz DBABUZFHMCRACJ-DOTOQJQBSA-N 2 3 297.487 1.543 20 0 CDADHP C[C@H]1CCC[N@@H+](CCCCNC[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000581483314 373032869 /nfs/dbraw/zinc/03/28/69/373032869.db2.gz DBABUZFHMCRACJ-DOTOQJQBSA-N 2 3 297.487 1.543 20 0 CDADHP C[C@H]1CCC[NH+](CCCCNC[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000581483314 373032875 /nfs/dbraw/zinc/03/28/75/373032875.db2.gz DBABUZFHMCRACJ-DOTOQJQBSA-N 2 3 297.487 1.543 20 0 CDADHP C[C@H]1CCC[NH+](CCCCNC[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000581483314 373032880 /nfs/dbraw/zinc/03/28/80/373032880.db2.gz DBABUZFHMCRACJ-DOTOQJQBSA-N 2 3 297.487 1.543 20 0 CDADHP C[C@@H]1CCC[N@H+](CCCCNC[C@H](O)C[NH+](C)C2CC2)C1 ZINC000581483317 373033693 /nfs/dbraw/zinc/03/36/93/373033693.db2.gz DBABUZFHMCRACJ-WBVHZDCISA-N 2 3 297.487 1.543 20 0 CDADHP C[C@@H]1CCC[N@@H+](CCCCNC[C@H](O)C[NH+](C)C2CC2)C1 ZINC000581483317 373033699 /nfs/dbraw/zinc/03/36/99/373033699.db2.gz DBABUZFHMCRACJ-WBVHZDCISA-N 2 3 297.487 1.543 20 0 CDADHP C[C@@H]1CCC[NH+](CCCCNC[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000581483317 373033705 /nfs/dbraw/zinc/03/37/05/373033705.db2.gz DBABUZFHMCRACJ-WBVHZDCISA-N 2 3 297.487 1.543 20 0 CDADHP C[C@@H]1CCC[NH+](CCCCNC[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000581483317 373033713 /nfs/dbraw/zinc/03/37/13/373033713.db2.gz DBABUZFHMCRACJ-WBVHZDCISA-N 2 3 297.487 1.543 20 0 CDADHP C(CN1CCC[C@H]1C[NH+]1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000420323720 376339145 /nfs/dbraw/zinc/33/91/45/376339145.db2.gz UPVSZQCLMBDUAR-HOTGVXAUSA-N 2 3 265.445 1.936 20 0 CDADHP CN(C)CCOc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000647482177 390967832 /nfs/dbraw/zinc/96/78/32/390967832.db2.gz HTIORWCHGDZHOZ-UHFFFAOYSA-N 2 3 291.439 1.798 20 0 CDADHP C[C@H]([NH3+])C[C@H](C)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000423038749 392292538 /nfs/dbraw/zinc/29/25/38/392292538.db2.gz ZIHBDBRQQZCXAY-GRDNDAEWSA-N 2 3 291.439 1.469 20 0 CDADHP C[C@H]([NH3+])C[C@H](C)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000423038749 392292544 /nfs/dbraw/zinc/29/25/44/392292544.db2.gz ZIHBDBRQQZCXAY-GRDNDAEWSA-N 2 3 291.439 1.469 20 0 CDADHP CC[NH+](CC)CC1CC[NH+](C[C@](C)(O)CNC)CC1 ZINC000574283723 392561042 /nfs/dbraw/zinc/56/10/42/392561042.db2.gz IWWKFGLUUOXSCE-OAHLLOKOSA-N 2 3 271.449 1.011 20 0 CDADHP C(CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000420384500 397701868 /nfs/dbraw/zinc/70/18/68/397701868.db2.gz DYOVLDGCKRQFSB-HZPDHXFCSA-N 2 3 265.445 1.840 20 0 CDADHP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)C1CNC1 ZINC000665299290 414043743 /nfs/dbraw/zinc/04/37/43/414043743.db2.gz JXUORVACZQCUIM-LBPRGKRZSA-N 2 3 251.418 1.306 20 0 CDADHP C([C@H]1CCC2(CNC2)O1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662274242 414605670 /nfs/dbraw/zinc/60/56/70/414605670.db2.gz SIBIYSCHSFMWNK-BZUAXINKSA-N 2 3 293.455 1.219 20 0 CDADHP C([C@H]1CCC2(CNC2)O1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662274242 414605672 /nfs/dbraw/zinc/60/56/72/414605672.db2.gz SIBIYSCHSFMWNK-BZUAXINKSA-N 2 3 293.455 1.219 20 0 CDADHP CC[C@H](NC1CCC([NH+](C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000423543364 288034127 /nfs/dbraw/zinc/03/41/27/288034127.db2.gz HBSTYDPRTYGHJA-WUCCLRPBSA-N 2 3 253.434 1.979 20 0 CDADHP CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H]1CCCN1 ZINC000423543364 288034129 /nfs/dbraw/zinc/03/41/29/288034129.db2.gz HBSTYDPRTYGHJA-WUCCLRPBSA-N 2 3 253.434 1.979 20 0 CDADHP C[NH+](C)CCOCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000234263452 289170272 /nfs/dbraw/zinc/17/02/72/289170272.db2.gz MKPIOLODATYECJ-ZNMIVQPWSA-N 2 3 269.433 1.075 20 0 CDADHP CCOC(=O)C1([C@H](C)NCCC[NH2+]C(C)C)CC[NH2+]CC1 ZINC000582719777 325029786 /nfs/dbraw/zinc/02/97/86/325029786.db2.gz MNEWIDAVPPFCBT-AWEZNQCLSA-N 2 3 299.459 1.286 20 0 CDADHP C1[C@@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C12CC[NH2+]CC2 ZINC000666955400 483019140 /nfs/dbraw/zinc/01/91/40/483019140.db2.gz GKKATKVTOAOMRA-BYNSBNAKSA-N 2 3 263.429 1.639 20 0 CDADHP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000903752764 626074131 /nfs/dbraw/zinc/07/41/31/626074131.db2.gz WMWWHIQZDDJTFR-QZWWFDLISA-N 2 3 293.455 1.219 20 0 CDADHP CN1CCC[C@@H]1CC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715534774 1161410242 /nfs/dbraw/zinc/41/02/42/1161410242.db2.gz XLNUMIUWFQPDAW-YMAMQOFZSA-N 2 3 253.434 1.933 20 0 CDADHP C[C@@H]([NH3+])C[C@@H](C)NCc1cc2c(s1)CC[NH2+]C2 ZINC000873213752 1165523691 /nfs/dbraw/zinc/52/36/91/1165523691.db2.gz OSOKJLIYYFZSDY-NXEZZACHSA-N 2 3 253.415 1.609 20 0 CDADHP c1cc(N2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)CC2)ccn1 ZINC001580891162 1172566088 /nfs/dbraw/zinc/56/60/88/1172566088.db2.gz UNRXJAUPOAUSTB-HNNXBMFYSA-N 2 3 274.412 1.593 20 0 CDADHP c1cc(N2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)CC2)ccn1 ZINC001580891162 1172566095 /nfs/dbraw/zinc/56/60/95/1172566095.db2.gz UNRXJAUPOAUSTB-HNNXBMFYSA-N 2 3 274.412 1.593 20 0 CDADHP Cc1nc(NCCC[NH+](C)C)cc(NCCC[NH+](C)C)n1 ZINC000242879752 1180504684 /nfs/dbraw/zinc/50/46/84/1180504684.db2.gz GLCCBOKDBAMIKJ-UHFFFAOYSA-N 2 3 294.447 1.512 20 0 CDADHP CC[NH+]1CCC(C[NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925485976 789903114 /nfs/dbraw/zinc/90/31/14/789903114.db2.gz FMHNWPLRVIEBPT-AWEZNQCLSA-N 2 3 251.418 1.593 20 0 CDADHP C[C@@H]([NH3+])[C@@H]1CCCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923286965 792290335 /nfs/dbraw/zinc/29/03/35/792290335.db2.gz BWIDQFFLISZHJB-QUHHJHJSSA-N 2 3 265.445 1.966 20 0 CDADHP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCN1c1ccncc1 ZINC000883447408 792659319 /nfs/dbraw/zinc/65/93/19/792659319.db2.gz BFXBDAWDPZYWNE-CVEARBPZSA-N 2 3 288.439 1.982 20 0 CDADHP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCN1c1ccncc1 ZINC000883447408 792659335 /nfs/dbraw/zinc/65/93/35/792659335.db2.gz BFXBDAWDPZYWNE-CVEARBPZSA-N 2 3 288.439 1.982 20 0 CDADHP C[NH+]1CCC2(C[NH+](C3CCN(CC4CC4)CC3)C2)CC1 ZINC001168389423 911429548 /nfs/dbraw/zinc/42/95/48/911429548.db2.gz PJTQRSNOQMDLKN-UHFFFAOYSA-N 2 3 277.456 1.888 20 0 CDADHP C1CC2(C[C@H]1N[C@@H]1CCCC[NH2+]C1)CC[NH2+]CC2 ZINC001246094156 930976118 /nfs/dbraw/zinc/97/61/18/930976118.db2.gz ZOKZJFHYLWOMEP-UONOGXRCSA-N 2 3 251.418 1.640 20 0 CDADHP [NH3+][C@@H]1CC[C@@H]2CN(Cc3cc4c(s3)C[NH2+]CC4)C[C@@H]12 ZINC001236828228 944584461 /nfs/dbraw/zinc/58/44/61/944584461.db2.gz HKPMKLOFKGMFRI-MRVWCRGKSA-N 2 3 277.437 1.563 20 0 CDADHP c1cc(N2CCC([NH2+]C3CCNCC3)CC2)cc[nH+]1 ZINC001246076261 947927534 /nfs/dbraw/zinc/92/75/34/947927534.db2.gz BXLYMPCSIIBYNT-UHFFFAOYSA-N 2 3 260.385 1.392 20 0 CDADHP C[C@H]1C[C@H]([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246136108 947979561 /nfs/dbraw/zinc/97/95/61/947979561.db2.gz UCJQLZHCPUTJTL-MJBXVCDLSA-N 2 3 251.418 1.639 20 0 CDADHP C1CC1[C@H]([NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1)C1CNC1 ZINC001246513873 948217898 /nfs/dbraw/zinc/21/78/98/948217898.db2.gz FOLLGVBBSYVJQU-HRCADAONSA-N 2 3 263.429 1.496 20 0 CDADHP [NH3+]C[C@]1(F)CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246553542 948259645 /nfs/dbraw/zinc/25/96/45/948259645.db2.gz ZAOUYVCCIMHUMZ-YJNKXOJESA-N 2 3 269.408 1.812 20 0 CDADHP [NH3+]C[C@]1(F)CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246553542 948259650 /nfs/dbraw/zinc/25/96/50/948259650.db2.gz ZAOUYVCCIMHUMZ-YJNKXOJESA-N 2 3 269.408 1.812 20 0 CDADHP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CCC[C@H]1C[NH3+] ZINC001246573707 948296200 /nfs/dbraw/zinc/29/62/00/948296200.db2.gz ZCYFRMFRDDTWPI-DGADGQDISA-N 2 3 265.445 1.966 20 0 CDADHP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CCC[C@H]1C[NH3+] ZINC001246573707 948296206 /nfs/dbraw/zinc/29/62/06/948296206.db2.gz ZCYFRMFRDDTWPI-DGADGQDISA-N 2 3 265.445 1.966 20 0 CDADHP CC[C@@H]1CC(N2CCNC3(CC[NH2+]CC3)C2)C[C@@H](CC)[NH2+]1 ZINC001246604119 948337376 /nfs/dbraw/zinc/33/73/76/948337376.db2.gz NAKFVBKKCOQWNS-HUUCEWRRSA-N 2 3 294.487 1.323 20 0 CDADHP CC(C)C[NH+]1CCC(N2CCNC3(CC[NH2+]CC3)C2)CC1 ZINC001246608291 948342596 /nfs/dbraw/zinc/34/25/96/948342596.db2.gz ZEIRFXWPCVLQGF-UHFFFAOYSA-N 2 3 294.487 1.134 20 0 CDADHP C[NH2+]C1CCC([N@@H+]2CC[C@]3(C2)CCCCN3)CC1 ZINC001246619887 948351961 /nfs/dbraw/zinc/35/19/61/948351961.db2.gz JGGFBUDXSIVSDA-NRXISQOPSA-N 2 3 251.418 1.735 20 0 CDADHP C[NH2+]C1CCC([N@H+]2CC[C@]3(C2)CCCCN3)CC1 ZINC001246619887 948351970 /nfs/dbraw/zinc/35/19/70/948351970.db2.gz JGGFBUDXSIVSDA-NRXISQOPSA-N 2 3 251.418 1.735 20 0 CDADHP NCC[C@@H]1CCC[N@H+]1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246847733 948474611 /nfs/dbraw/zinc/47/46/11/948474611.db2.gz RXZIPGHSEFYQDJ-KKUMJFAQSA-N 2 3 251.418 1.722 20 0 CDADHP NCC[C@@H]1CCC[N@@H+]1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246847733 948474606 /nfs/dbraw/zinc/47/46/06/948474606.db2.gz RXZIPGHSEFYQDJ-KKUMJFAQSA-N 2 3 251.418 1.722 20 0 CDADHP CC(C)[C@H]1C[C@@H](N2CCC(N3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246884374 948501574 /nfs/dbraw/zinc/50/15/74/948501574.db2.gz ALUIVJYONPTMSC-DLBZAZTESA-N 2 3 294.487 1.133 20 0 CDADHP NC[C@@H]1CCC[C@H]1[NH2+]C1CC(C[NH3+])(c2ccccc2)C1 ZINC001550945048 966297368 /nfs/dbraw/zinc/29/73/68/966297368.db2.gz QYPMCYJKVSNLMG-MHABSNSOSA-N 2 3 273.424 1.763 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C[C@@H]2CCC[NH2+]C2)C1 ZINC000650723922 398162749 /nfs/dbraw/zinc/16/27/49/398162749.db2.gz VVWKQQICGYAYLW-WCVJEAGWSA-N 2 3 281.444 1.347 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@@H]2CCCNC2)C1 ZINC000650723922 398162751 /nfs/dbraw/zinc/16/27/51/398162751.db2.gz VVWKQQICGYAYLW-WCVJEAGWSA-N 2 3 281.444 1.347 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@@H]2CCCNC2)C1 ZINC000650723922 398162753 /nfs/dbraw/zinc/16/27/53/398162753.db2.gz VVWKQQICGYAYLW-WCVJEAGWSA-N 2 3 281.444 1.347 20 0 CDADHP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)C1CNC1 ZINC000422716623 299288175 /nfs/dbraw/zinc/28/81/75/299288175.db2.gz NPIAMWLHNFNUCL-AWEZNQCLSA-N 2 3 253.434 1.840 20 0 CDADHP CC(C)[C@@H](CN)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000634996198 360624257 /nfs/dbraw/zinc/62/42/57/360624257.db2.gz CLCNMWYEKQGNOK-KGLIPLIRSA-N 2 3 253.434 1.681 20 0 CDADHP CC(C)[C@@H](CN)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000634996198 360624261 /nfs/dbraw/zinc/62/42/61/360624261.db2.gz CLCNMWYEKQGNOK-KGLIPLIRSA-N 2 3 253.434 1.681 20 0 CDADHP C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCC[NH2+]1 ZINC000423564829 299395274 /nfs/dbraw/zinc/39/52/74/299395274.db2.gz YGQZQRSUDZUMAG-JARUQAPTSA-N 2 3 251.418 1.495 20 0 CDADHP CCCN1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647793303 391631025 /nfs/dbraw/zinc/63/10/25/391631025.db2.gz SVTPQASWRKFHGO-FXUDXRNXSA-N 2 3 265.445 1.696 20 0 CDADHP C([C@@H]1CCC[NH2+]C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000334852802 391965553 /nfs/dbraw/zinc/96/55/53/391965553.db2.gz ZYEIQMPXBPIGTM-UKRRQHHQSA-N 2 3 251.418 1.450 20 0 CDADHP C([C@@H]1CCCNC1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000334852802 391965557 /nfs/dbraw/zinc/96/55/57/391965557.db2.gz ZYEIQMPXBPIGTM-UKRRQHHQSA-N 2 3 251.418 1.450 20 0 CDADHP CSC1(CN[C@H]2C[NH2+]CC[C@H]2C)CC[NH+](C)CC1 ZINC000423123059 392363048 /nfs/dbraw/zinc/36/30/48/392363048.db2.gz LWOKBWDUOHEZKB-OLZOCXBDSA-N 2 3 271.474 1.401 20 0 CDADHP NC[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665300058 414043152 /nfs/dbraw/zinc/04/31/52/414043152.db2.gz XQJLNVHKJHOIOV-CVEARBPZSA-N 2 3 265.445 1.825 20 0 CDADHP C(O[C@@H]1CC[NH2+]C1)C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000530238292 271176677 /nfs/dbraw/zinc/17/66/77/271176677.db2.gz MFMIMPZSYGURPS-JKSUJKDBSA-N 2 3 281.444 1.077 20 0 CDADHP C(O[C@@H]1CC[NH2+]C1)C1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000530238292 271176681 /nfs/dbraw/zinc/17/66/81/271176681.db2.gz MFMIMPZSYGURPS-JKSUJKDBSA-N 2 3 281.444 1.077 20 0 CDADHP CC(C)(C)N1CCC([NH2+]CC2=CC[NH2+]CC2)CC1 ZINC000423344021 277151345 /nfs/dbraw/zinc/15/13/45/277151345.db2.gz MLFVUDUVRGGNHX-UHFFFAOYSA-N 2 3 251.418 1.759 20 0 CDADHP CC(C)[NH2+]C1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414690000 279606272 /nfs/dbraw/zinc/60/62/72/279606272.db2.gz HDVUGLRNKNPPQF-ZIAGYGMSSA-N 2 3 253.434 1.837 20 0 CDADHP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415014340 298877757 /nfs/dbraw/zinc/87/77/57/298877757.db2.gz WSYPPNRHQFYHTB-UQOMUDLDSA-N 2 3 251.418 1.495 20 0 CDADHP CCN(CC)Cc1cncc(NC(=[NH2+])NCCCC[NH3+])c1 ZINC001167880996 901636729 /nfs/dbraw/zinc/63/67/29/901636729.db2.gz CDIBLJZXIWTIBE-UHFFFAOYSA-N 2 3 292.431 1.599 20 0 CDADHP [NH3+]Cc1ccc(CNCc2ccc(C[NH3+])cc2)cc1 ZINC000200270100 929208125 /nfs/dbraw/zinc/20/81/25/929208125.db2.gz KVHJJDFCSSPRDQ-UHFFFAOYSA-N 2 3 255.365 1.894 20 0 CDADHP [NH3+]CCc1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000817947911 930642243 /nfs/dbraw/zinc/64/22/43/930642243.db2.gz FDKLILCCCKGGLE-UHFFFAOYSA-N 2 3 273.424 1.904 20 0 CDADHP C(N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CC[NH+](C2CC2)CC1 ZINC000925662138 932923096 /nfs/dbraw/zinc/92/30/96/932923096.db2.gz YIOXOCHSKASNHK-XSIBGMEISA-N 2 3 275.440 1.447 20 0 CDADHP C[C@H]1CNC[C@H]1[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246115944 947966854 /nfs/dbraw/zinc/96/68/54/947966854.db2.gz LASHAISGMVFLOA-GXTWGEPZSA-N 2 3 251.418 1.496 20 0 CDADHP C[C@@H]1CC[C@H](NCC[C@@H]2C[NH2+]Cc3cccn3C2)C[NH2+]1 ZINC001246136266 947980483 /nfs/dbraw/zinc/98/04/83/947980483.db2.gz DECYJSIDIPINFJ-KFWWJZLASA-N 2 3 276.428 1.328 20 0 CDADHP CCCC[C@@H]1C[C@@H](NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001246145983 947988699 /nfs/dbraw/zinc/98/86/99/947988699.db2.gz GNOSYFTYPRMOCB-UUAJXVIYSA-N 2 3 295.471 1.511 20 0 CDADHP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@]3(CC[NH2+]C3)C2)CCN1 ZINC001246225978 948040547 /nfs/dbraw/zinc/04/05/47/948040547.db2.gz SHGCULWYGNEBPY-KBXIAJHMSA-N 2 3 251.418 1.639 20 0 CDADHP CC[NH+](CC)CC[C@@H](C)N1CCN(CCCC[NH3+])CC1 ZINC001255955350 948138288 /nfs/dbraw/zinc/13/82/88/948138288.db2.gz RHLXVBKTIBQHLD-MRXNPFEDSA-N 2 3 284.492 1.463 20 0 CDADHP C[C@@H]1CC[N@@H+]([C@@H]2CCNC(C)(C)C2)CC[C@H]1C[NH3+] ZINC001246556937 948267803 /nfs/dbraw/zinc/26/78/03/948267803.db2.gz ILRDGNJNQKOHOK-HZSPNIEDSA-N 2 3 253.434 1.824 20 0 CDADHP C[C@@H]1CC[N@H+]([C@@H]2CCNC(C)(C)C2)CC[C@H]1C[NH3+] ZINC001246556937 948267810 /nfs/dbraw/zinc/26/78/10/948267810.db2.gz ILRDGNJNQKOHOK-HZSPNIEDSA-N 2 3 253.434 1.824 20 0 CDADHP CC(C)(C)[NH+]1CCC(N2CCN(CCCC[NH3+])CC2)CC1 ZINC001256567751 948345755 /nfs/dbraw/zinc/34/57/55/948345755.db2.gz ZDIHNASNBXPLGY-UHFFFAOYSA-N 2 3 296.503 1.606 20 0 CDADHP C1[NH2+]C[C@H]2OCCN(C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]12 ZINC001246621565 948354914 /nfs/dbraw/zinc/35/49/14/948354914.db2.gz FMAAQVAJODUFQU-GDBMZVCRSA-N 2 3 293.455 1.219 20 0 CDADHP CC(C)[C@@H]1C[C@H](N2CC[C@H]3C[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001246625718 948361567 /nfs/dbraw/zinc/36/15/67/948361567.db2.gz SGRBBTMQRKLLMI-LJISPDSOSA-N 2 3 251.418 1.447 20 0 CDADHP C[N@H+](C1CCC([NH3+])CC1)C1CCC(N2CCOCC2)CC1 ZINC001256683296 948391850 /nfs/dbraw/zinc/39/18/50/948391850.db2.gz VVMAEWZVDIKSRW-UHFFFAOYSA-N 2 3 295.471 1.832 20 0 CDADHP C[N@@H+](C1CCC([NH3+])CC1)C1CCC(N2CCOCC2)CC1 ZINC001256683296 948391856 /nfs/dbraw/zinc/39/18/56/948391856.db2.gz VVMAEWZVDIKSRW-UHFFFAOYSA-N 2 3 295.471 1.832 20 0 CDADHP C[C@H]1C[C@H]([N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CCN1 ZINC001246679888 948403007 /nfs/dbraw/zinc/40/30/07/948403007.db2.gz ZLTIDLJBIVNCKP-CAOSSQGBSA-N 2 3 265.445 1.839 20 0 CDADHP C[C@H]1C[C@H]([N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CCN1 ZINC001246679888 948403011 /nfs/dbraw/zinc/40/30/11/948403011.db2.gz ZLTIDLJBIVNCKP-CAOSSQGBSA-N 2 3 265.445 1.839 20 0 CDADHP CC(C)[C@@H]1C[C@H](N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC[NH2+]1 ZINC001246843385 948472484 /nfs/dbraw/zinc/47/24/84/948472484.db2.gz GCKBLZOOIUTQDD-TUVASFSCSA-N 2 3 251.418 1.304 20 0 CDADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650761589 398183638 /nfs/dbraw/zinc/18/36/38/398183638.db2.gz DLBSTOAULKKZLK-LBPRGKRZSA-N 2 3 276.428 1.889 20 0 CDADHP CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000250647371 344048608 /nfs/dbraw/zinc/04/86/08/344048608.db2.gz VRYYFTDVPNRWRX-KLHDSHLOSA-N 2 3 265.445 1.839 20 0 CDADHP C[C@@H]1C[C@@H](C[N@H+]2CCCC23CCN(C)CC3)CC[NH2+]1 ZINC000334882513 297251353 /nfs/dbraw/zinc/25/13/53/297251353.db2.gz NLFSJXWWJBCOBP-CABCVRRESA-N 2 3 265.445 1.935 20 0 CDADHP C[NH+](C)CCCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000045663851 359160192 /nfs/dbraw/zinc/16/01/92/359160192.db2.gz ULFKFKDSEXBSTA-UHFFFAOYSA-N 2 3 276.428 1.982 20 0 CDADHP C[C@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C[NH3+] ZINC000630076522 367302247 /nfs/dbraw/zinc/30/22/47/367302247.db2.gz JYKBZYLIWOMREB-LRDDRELGSA-N 2 3 259.397 1.359 20 0 CDADHP COc1ccc([C@@H](C[NH3+])CN2CCC[C@H](CC[NH3+])C2)cc1 ZINC000420315572 244072828 /nfs/dbraw/zinc/07/28/28/244072828.db2.gz RZWOWLKUGCINIV-ZBFHGGJFSA-N 2 3 291.439 1.798 20 0 CDADHP C(C[N@@H+]1CC[C@H](CN2CCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420315647 244073183 /nfs/dbraw/zinc/07/31/83/244073183.db2.gz LAMRZHNAJHJXIC-JKSUJKDBSA-N 2 3 265.445 1.794 20 0 CDADHP C(C[N@H+]1CC[C@H](CN2CCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420315647 244073188 /nfs/dbraw/zinc/07/31/88/244073188.db2.gz LAMRZHNAJHJXIC-JKSUJKDBSA-N 2 3 265.445 1.794 20 0 CDADHP C(CN1CC[C@H](C[NH+]2CCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420315647 244073193 /nfs/dbraw/zinc/07/31/93/244073193.db2.gz LAMRZHNAJHJXIC-JKSUJKDBSA-N 2 3 265.445 1.794 20 0 CDADHP C(C[N@@H+]1CC[C@H](CN2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000420311451 244066334 /nfs/dbraw/zinc/06/63/34/244066334.db2.gz HBYQMUTXQDVHQT-LSDHHAIUSA-N 2 3 251.418 1.404 20 0 CDADHP C(C[N@H+]1CC[C@H](CN2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000420311451 244066338 /nfs/dbraw/zinc/06/63/38/244066338.db2.gz HBYQMUTXQDVHQT-LSDHHAIUSA-N 2 3 251.418 1.404 20 0 CDADHP C(CN1CC[C@H](C[NH+]2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000420311451 244066344 /nfs/dbraw/zinc/06/63/44/244066344.db2.gz HBYQMUTXQDVHQT-LSDHHAIUSA-N 2 3 251.418 1.404 20 0 CDADHP C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000422884960 245369658 /nfs/dbraw/zinc/36/96/58/245369658.db2.gz SUEUACQLBYTSKO-QZWWFDLISA-N 2 3 297.487 1.983 20 0 CDADHP C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000422884960 245369664 /nfs/dbraw/zinc/36/96/64/245369664.db2.gz SUEUACQLBYTSKO-QZWWFDLISA-N 2 3 297.487 1.983 20 0 CDADHP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000415022910 391727514 /nfs/dbraw/zinc/72/75/14/391727514.db2.gz MAVXKPSGQLHKPW-CQSZACIVSA-N 2 3 279.428 1.844 20 0 CDADHP C(CN1CCC[C@]2(CC[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC000334993409 391993440 /nfs/dbraw/zinc/99/34/40/391993440.db2.gz QIEFOVYWGJBTIH-OAHLLOKOSA-N 2 3 251.418 1.452 20 0 CDADHP COCC1(C[NH2+][C@H]2CCCC[C@@H]2CN)CC[NH2+]CC1 ZINC000423407267 392556164 /nfs/dbraw/zinc/55/61/64/392556164.db2.gz MFUNGGWNFRLXCV-KGLIPLIRSA-N 2 3 269.433 1.110 20 0 CDADHP C[C@]1(CN2CCC[C@H](C3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000656783688 413653523 /nfs/dbraw/zinc/65/35/23/413653523.db2.gz UJFQEIKDSWQEPT-HOTGVXAUSA-N 2 3 265.445 1.698 20 0 CDADHP CSC1(CN[C@H]2C[NH2+]CC[C@@H]2C)CC[NH+](C)CC1 ZINC000423123061 278126452 /nfs/dbraw/zinc/12/64/52/278126452.db2.gz LWOKBWDUOHEZKB-STQMWFEESA-N 2 3 271.474 1.401 20 0 CDADHP C[C@@H]1C[C@@H](C[N@@H+]2CCCC23CCN(C)CC3)CC[NH2+]1 ZINC000334882513 297251350 /nfs/dbraw/zinc/25/13/50/297251350.db2.gz NLFSJXWWJBCOBP-CABCVRRESA-N 2 3 265.445 1.935 20 0 CDADHP CCN(C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H]1CCC[NH2+]CC1 ZINC000903745328 626070319 /nfs/dbraw/zinc/07/03/19/626070319.db2.gz COYHWUBUZORDFN-OWCLPIDISA-N 2 3 281.444 1.219 20 0 CDADHP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000903752763 626074083 /nfs/dbraw/zinc/07/40/83/626074083.db2.gz WMWWHIQZDDJTFR-QAETUUGQSA-N 2 3 293.455 1.219 20 0 CDADHP NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260526 1165531912 /nfs/dbraw/zinc/53/19/12/1165531912.db2.gz CHVNNDAIWDJNKM-SBJFKYEJSA-N 2 3 251.418 1.624 20 0 CDADHP C([C@@H]1CC[NH2+]C1)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923509740 814615044 /nfs/dbraw/zinc/61/50/44/814615044.db2.gz QISRBQWYZZKJLH-HUUCEWRRSA-N 2 3 265.445 1.698 20 0 CDADHP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293250 817603055 /nfs/dbraw/zinc/60/30/55/817603055.db2.gz JWBMKVVDDKAHFV-KFWWJZLASA-N 2 3 281.444 1.395 20 0 CDADHP c1ccc(C[NH+]2C[C@H]3CN(C4CC[NH2+]CC4)C[C@@H]3C2)cc1 ZINC000705955697 894930077 /nfs/dbraw/zinc/93/00/77/894930077.db2.gz OPCYGQQRKZETIS-IRXDYDNUSA-N 2 3 285.435 1.802 20 0 CDADHP N[C@H]1CC[N@H+](Cc2cc3c(s2)C[NH2+]CC3)CC[C@@H]1F ZINC001206185384 912128418 /nfs/dbraw/zinc/12/84/18/912128418.db2.gz NBYYBNNFAJPPHQ-STQMWFEESA-N 2 3 283.416 1.655 20 0 CDADHP N[C@H]1CC[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)CC[C@@H]1F ZINC001206185384 912128422 /nfs/dbraw/zinc/12/84/22/912128422.db2.gz NBYYBNNFAJPPHQ-STQMWFEESA-N 2 3 283.416 1.655 20 0 CDADHP F[C@]1(CN[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CCCC[NH2+]C1 ZINC001246110220 931052659 /nfs/dbraw/zinc/05/26/59/931052659.db2.gz HREPJRJRLOJIHI-OWCLPIDISA-N 2 3 283.435 1.980 20 0 CDADHP CC[C@@H]1CC(N2CCC(C[NH3+])CC2)C[C@@H](CC)[NH2+]1 ZINC001246536750 931625723 /nfs/dbraw/zinc/62/57/23/931625723.db2.gz CRYCKJUAZJGIGV-ZIAGYGMSSA-N 2 3 253.434 1.966 20 0 CDADHP C[NH2+]C[C@H]1CCCN(C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246546728 931681052 /nfs/dbraw/zinc/68/10/52/931681052.db2.gz DYJOMVRENNCYRU-QQFBHYJXSA-N 2 3 265.445 1.840 20 0 CDADHP C[NH+]1CCC(CC[N@@H+]2CCCC[C@H](CN)C2)CC1 ZINC001206606837 940070557 /nfs/dbraw/zinc/07/05/57/940070557.db2.gz UKULCFIOSQXCLZ-OAHLLOKOSA-N 2 3 253.434 1.779 20 0 CDADHP C[NH+]1CCC(CC[N@H+]2CCCC[C@H](CN)C2)CC1 ZINC001206606837 940070559 /nfs/dbraw/zinc/07/05/59/940070559.db2.gz UKULCFIOSQXCLZ-OAHLLOKOSA-N 2 3 253.434 1.779 20 0 CDADHP C[C@H]1CC[C@@H](CN)C[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001206760702 940085702 /nfs/dbraw/zinc/08/57/02/940085702.db2.gz KKURGMGNNMMUIQ-KBPBESRZSA-N 2 3 265.445 1.825 20 0 CDADHP C[C@H]1CC[C@@H](CN)C[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001206760702 940085706 /nfs/dbraw/zinc/08/57/06/940085706.db2.gz KKURGMGNNMMUIQ-KBPBESRZSA-N 2 3 265.445 1.825 20 0 CDADHP [NH3+]CCCCCCN1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222265186 941579563 /nfs/dbraw/zinc/57/95/63/941579563.db2.gz PTGIAUJISOGOQR-OAHLLOKOSA-N 2 3 253.434 1.971 20 0 CDADHP [NH3+]CCCCC[N@@H+]1C[C@H](c2ccccc2)C2(CNC2)C1 ZINC001222595781 941618817 /nfs/dbraw/zinc/61/88/17/941618817.db2.gz JDKXBUCWDFAAKN-MRXNPFEDSA-N 2 3 273.424 1.804 20 0 CDADHP [NH3+]CCCCC[N@H+]1C[C@H](c2ccccc2)C2(CNC2)C1 ZINC001222595781 941618820 /nfs/dbraw/zinc/61/88/20/941618820.db2.gz JDKXBUCWDFAAKN-MRXNPFEDSA-N 2 3 273.424 1.804 20 0 CDADHP [NH3+]CCCCCN1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595781 941618822 /nfs/dbraw/zinc/61/88/22/941618822.db2.gz JDKXBUCWDFAAKN-MRXNPFEDSA-N 2 3 273.424 1.804 20 0 CDADHP CC1(CN2CCCC[C@@]23CCC[NH2+]C3)CC[NH2+]CC1 ZINC001235173730 944079209 /nfs/dbraw/zinc/07/92/09/944079209.db2.gz QXIDSSMPEKAYFD-INIZCTEOSA-N 2 3 265.445 1.984 20 0 CDADHP CC1(C[N@@H+]2CCCC[C@@]23CCCNC3)CC[NH2+]CC1 ZINC001235173730 944079216 /nfs/dbraw/zinc/07/92/16/944079216.db2.gz QXIDSSMPEKAYFD-INIZCTEOSA-N 2 3 265.445 1.984 20 0 CDADHP CC1(C[N@H+]2CCCC[C@@]23CCCNC3)CC[NH2+]CC1 ZINC001235173730 944079222 /nfs/dbraw/zinc/07/92/22/944079222.db2.gz QXIDSSMPEKAYFD-INIZCTEOSA-N 2 3 265.445 1.984 20 0 CDADHP C[N@H+](CCC1CC[NH2+]CC1)Cc1ccc2n1CCNC2 ZINC001235716918 944259801 /nfs/dbraw/zinc/25/98/01/944259801.db2.gz MVCIAFAXSKZTQQ-UHFFFAOYSA-N 2 3 276.428 1.413 20 0 CDADHP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc2n1CCNC2 ZINC001235716918 944259806 /nfs/dbraw/zinc/25/98/06/944259806.db2.gz MVCIAFAXSKZTQQ-UHFFFAOYSA-N 2 3 276.428 1.413 20 0 CDADHP C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246146029 947988848 /nfs/dbraw/zinc/98/88/48/947988848.db2.gz NGOLBEGQPHKTNK-XUWVNRHRSA-N 2 3 292.471 1.123 20 0 CDADHP C(N[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246146024 947989360 /nfs/dbraw/zinc/98/93/60/947989360.db2.gz NGOLBEGQPHKTNK-QKPAOTATSA-N 2 3 292.471 1.123 20 0 CDADHP CC1(C)CNCC[C@@H]1[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246375217 948143414 /nfs/dbraw/zinc/14/34/14/948143414.db2.gz XAPUYAGGRHHGTB-BBBYJDLNSA-N 2 3 265.445 1.886 20 0 CDADHP CCC[NH+]1CCC(N2CCC[C@@](O)(C[NH3+])CC2)CC1 ZINC001246542751 948244593 /nfs/dbraw/zinc/24/45/93/948244593.db2.gz KYIJKUYMMCMBKQ-HNNXBMFYSA-N 2 3 269.433 1.037 20 0 CDADHP C[C@@H]1[C@H](CN)CCC[N@@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246567691 948286091 /nfs/dbraw/zinc/28/60/91/948286091.db2.gz XOSVJBFEQUBKJO-QVOMUQBLSA-N 2 3 265.445 1.968 20 0 CDADHP C[C@@H]1[C@H](CN)CCC[N@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246567691 948286100 /nfs/dbraw/zinc/28/61/00/948286100.db2.gz XOSVJBFEQUBKJO-QVOMUQBLSA-N 2 3 265.445 1.968 20 0 CDADHP [NH3+]C[C@@]1(F)CCCCN([C@@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246581492 948307938 /nfs/dbraw/zinc/30/79/38/948307938.db2.gz QAVCNUVJUZCOIN-OCCSQVGLSA-N 2 3 255.381 1.281 20 0 CDADHP CC[NH+](CC)C1CCC(N2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246635050 948371794 /nfs/dbraw/zinc/37/17/94/948371794.db2.gz JAUWMZZGQYMCJO-JCYILVPMSA-N 2 3 294.487 1.277 20 0 CDADHP CCCC[C@@H]1C[C@H](N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[NH2+]1 ZINC001246846423 948473544 /nfs/dbraw/zinc/47/35/44/948473544.db2.gz NLLIWNGGKGHMAY-ZJIFWQFVSA-N 2 3 265.445 1.839 20 0 CDADHP C1C[C@@]2(C[NH2+]1)CCC[C@@H](N1C[C@H]3CC[C@@H](C1)[NH2+]C3)C2 ZINC001246869992 948496040 /nfs/dbraw/zinc/49/60/40/948496040.db2.gz XRJQCVULKLIFMR-JONQDZQNSA-N 2 3 263.429 1.593 20 0 CDADHP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CCN1 ZINC001549338393 968142810 /nfs/dbraw/zinc/14/28/10/968142810.db2.gz YRRJDAUDPLHDLL-XJKSGUPXSA-N 2 3 265.445 1.839 20 0 CDADHP CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000089145854 349280171 /nfs/dbraw/zinc/28/01/71/349280171.db2.gz FEHOCHDBKHCPKR-LSDHHAIUSA-N 2 3 253.434 1.825 20 0 CDADHP C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000422876660 245362487 /nfs/dbraw/zinc/36/24/87/245362487.db2.gz GOSVPYUMYPMJNQ-YESZJQIVSA-N 2 3 297.487 1.840 20 0 CDADHP C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000647509936 390976078 /nfs/dbraw/zinc/97/60/78/390976078.db2.gz ZMJCZTZEMZLNDT-ZBFHGGJFSA-N 2 3 291.439 1.796 20 0 CDADHP C(C1CC[NH2+]CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000178981618 391362745 /nfs/dbraw/zinc/36/27/45/391362745.db2.gz SFKGRHXHWQDXOX-MRXNPFEDSA-N 2 3 265.445 1.936 20 0 CDADHP CN1CCC[C@H]2C[N@H+](CC3CC[NH2+]CC3)CC[C@@H]21 ZINC000167563636 391841029 /nfs/dbraw/zinc/84/10/29/391841029.db2.gz DDJBCKVQVCPNQV-GJZGRUSLSA-N 2 3 251.418 1.402 20 0 CDADHP CN1CCC[C@H]2C[N@@H+](CC3CC[NH2+]CC3)CC[C@@H]21 ZINC000167563636 391841032 /nfs/dbraw/zinc/84/10/32/391841032.db2.gz DDJBCKVQVCPNQV-GJZGRUSLSA-N 2 3 251.418 1.402 20 0 CDADHP C[C@H](NC1CCC([NH+](C)C)CC1)[C@H]1CCCC[NH2+]1 ZINC000423539693 392583881 /nfs/dbraw/zinc/58/38/81/392583881.db2.gz BYAJYJGYWHSEFS-VXGQWTEUSA-N 2 3 253.434 1.979 20 0 CDADHP C(C[N@@H+]1CC[C@H](CN2CCCC2)C1)C1CC[NH2+]CC1 ZINC000359210611 158164371 /nfs/dbraw/zinc/16/43/71/158164371.db2.gz LNIZHCDVSFLXJS-MRXNPFEDSA-N 2 3 265.445 1.794 20 0 CDADHP C(C[N@H+]1CC[C@H](CN2CCCC2)C1)C1CC[NH2+]CC1 ZINC000359210611 158164374 /nfs/dbraw/zinc/16/43/74/158164374.db2.gz LNIZHCDVSFLXJS-MRXNPFEDSA-N 2 3 265.445 1.794 20 0 CDADHP C(CN1CC[C@H](C[NH+]2CCCC2)C1)C1CC[NH2+]CC1 ZINC000359210611 158164377 /nfs/dbraw/zinc/16/43/77/158164377.db2.gz LNIZHCDVSFLXJS-MRXNPFEDSA-N 2 3 265.445 1.794 20 0 CDADHP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CCN2C1 ZINC000401010097 424423059 /nfs/dbraw/zinc/42/30/59/424423059.db2.gz LVKTZTJRHLGXSH-YIDVYQOGSA-N 2 3 263.429 1.591 20 0 CDADHP N[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000521463039 281075123 /nfs/dbraw/zinc/07/51/23/281075123.db2.gz WHFMUKYMYZQFPU-KBPBESRZSA-N 2 3 251.418 1.720 20 0 CDADHP C[C@@H]1C[C@@H](CN2CCC[C@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC000414791655 297252250 /nfs/dbraw/zinc/25/22/50/297252250.db2.gz QQQJATHKKFEWDQ-QLFBSQMISA-N 2 3 251.418 1.450 20 0 CDADHP CN(C)CCOc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000666962176 483023407 /nfs/dbraw/zinc/02/34/07/483023407.db2.gz GXHZTJDVAAYGMK-HOTGVXAUSA-N 2 3 291.439 1.844 20 0 CDADHP CN1CCC2(CCC[N@@H+]2CC2CC[NH+](C)CC2)CC1 ZINC000893856578 618094509 /nfs/dbraw/zinc/09/45/09/618094509.db2.gz LLJSNDCIDFTIGA-UHFFFAOYSA-N 2 3 265.445 1.888 20 0 CDADHP CN1CCC2(CCC[N@H+]2CC2CC[NH+](C)CC2)CC1 ZINC000893856578 618094516 /nfs/dbraw/zinc/09/45/16/618094516.db2.gz LLJSNDCIDFTIGA-UHFFFAOYSA-N 2 3 265.445 1.888 20 0 CDADHP N[C@H](CCC[NH3+])Nc1ccc(SC2CC[NH2+]CC2)cc1 ZINC001170902042 930709812 /nfs/dbraw/zinc/70/98/12/930709812.db2.gz AEHHQMOTKCMGJX-HNNXBMFYSA-N 2 3 294.468 1.966 20 0 CDADHP C[C@@H]1CNCC[C@@H]1[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246213135 931213230 /nfs/dbraw/zinc/21/32/30/931213230.db2.gz ZCHPPJSCMZPTFV-HIFRSBDPSA-N 2 3 265.445 1.886 20 0 CDADHP C1[C@H]2CCNC[C@H]2[N@@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246666495 932198909 /nfs/dbraw/zinc/19/89/09/932198909.db2.gz WBYVLAPVGVDVEL-UKRRQHHQSA-N 2 3 263.429 1.593 20 0 CDADHP C1[C@H]2CCNC[C@H]2[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246666495 932198914 /nfs/dbraw/zinc/19/89/14/932198914.db2.gz WBYVLAPVGVDVEL-UKRRQHHQSA-N 2 3 263.429 1.593 20 0 CDADHP C(C[N@H+](C[C@@H]1CCCNC1)C1CCCC1)[C@@H]1C[NH2+]CCO1 ZINC001236370588 944485937 /nfs/dbraw/zinc/48/59/37/944485937.db2.gz IEMKAMBWDUQNBA-NVXWUHKLSA-N 2 3 295.471 1.609 20 0 CDADHP C(C[N@@H+](C[C@@H]1CCCNC1)C1CCCC1)[C@@H]1C[NH2+]CCO1 ZINC001236370588 944485944 /nfs/dbraw/zinc/48/59/44/944485944.db2.gz IEMKAMBWDUQNBA-NVXWUHKLSA-N 2 3 295.471 1.609 20 0 CDADHP [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc4c(c3)CC[NH2+]C4)C[C@H]12 ZINC001236822432 944583109 /nfs/dbraw/zinc/58/31/09/944583109.db2.gz YPOYQCFSXAPKNC-IXDOHACOSA-N 2 3 271.408 1.501 20 0 CDADHP CC[C@H]1C[C@H]([NH2+]CC2CC3(C2)CC[NH2+]CC3)CCN1 ZINC001246127921 947975748 /nfs/dbraw/zinc/97/57/48/947975748.db2.gz RNTBJPGXAHIQGH-LSDHHAIUSA-N 2 3 265.445 1.886 20 0 CDADHP C1CC12CNC[C@H]2[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246132802 947978095 /nfs/dbraw/zinc/97/80/95/947978095.db2.gz MDPWFAARGVIUBY-SHARSMKWSA-N 2 3 263.429 1.640 20 0 CDADHP CC(C)[C@@H]1C[C@@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]1 ZINC001246148367 947989348 /nfs/dbraw/zinc/98/93/48/947989348.db2.gz RPXZGUBOQBHVAJ-XHSDSOJGSA-N 2 3 294.487 1.227 20 0 CDADHP CCC(CC)N1CCC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246348939 948123331 /nfs/dbraw/zinc/12/33/31/948123331.db2.gz GIQFRQTWUNSDNC-HNNXBMFYSA-N 2 3 294.487 1.323 20 0 CDADHP C[NH2+]C1CCC([NH+]2CCC(C3=CC=C(N)CN3)CC2)CC1 ZINC001246496143 948210059 /nfs/dbraw/zinc/21/00/59/948210059.db2.gz SPACVIIFOUAVAU-UHFFFAOYSA-N 2 3 290.455 1.559 20 0 CDADHP C[C@H]1C[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@H]1CN ZINC001246544720 948247897 /nfs/dbraw/zinc/24/78/97/948247897.db2.gz YJAULSMEQIVFAJ-UONOGXRCSA-N 2 3 265.445 1.825 20 0 CDADHP C[C@H]1C[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@H]1CN ZINC001246544720 948247904 /nfs/dbraw/zinc/24/79/04/948247904.db2.gz YJAULSMEQIVFAJ-UONOGXRCSA-N 2 3 265.445 1.825 20 0 CDADHP C[C@H]1C[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1CN ZINC001246544157 948248518 /nfs/dbraw/zinc/24/85/18/948248518.db2.gz VZUQCYJYBMNERP-MJBXVCDLSA-N 2 3 251.418 1.435 20 0 CDADHP C[C@H]1C[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1CN ZINC001246544157 948248528 /nfs/dbraw/zinc/24/85/28/948248528.db2.gz VZUQCYJYBMNERP-MJBXVCDLSA-N 2 3 251.418 1.435 20 0 CDADHP CC(C)[C@@H]1C[C@H](N2CCC(CC[NH3+])CC2)CC[NH2+]1 ZINC001246579321 948304335 /nfs/dbraw/zinc/30/43/35/948304335.db2.gz IIHZQBGTWVHJDS-CABCVRRESA-N 2 3 253.434 1.824 20 0 CDADHP CCCC[C@@H]1C[C@H](N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CC[NH2+]1 ZINC001246629621 948368438 /nfs/dbraw/zinc/36/84/38/948368438.db2.gz GSDKTKMNPWBAPM-QBPKDAKJSA-N 2 3 295.471 1.608 20 0 CDADHP C[NH2+]CC[C@@H](C)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001246798653 948446906 /nfs/dbraw/zinc/44/69/06/948446906.db2.gz XKQHSFGIRPQBQR-CYBMUJFWSA-N 2 3 253.434 1.696 20 0 CDADHP C[C@H]1C[C@H](N2CCN(CC3CC[NH+](C)CC3)CC2)CC[NH2+]1 ZINC001246948516 948536324 /nfs/dbraw/zinc/53/63/24/948536324.db2.gz KOJHZOBZQPASJP-DOTOQJQBSA-N 2 3 294.487 1.086 20 0 CDADHP CC(C)(C)[NH2+]C[C@@H](O)CNCC1CC[NH+](C2CCC2)CC1 ZINC001253410832 951894837 /nfs/dbraw/zinc/89/48/37/951894837.db2.gz SVJCEBYSJKOWLT-INIZCTEOSA-N 2 3 297.487 1.590 20 0 CDADHP C[C@@]12C[NH2+]C[C@H]1CN(CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001550437695 965940885 /nfs/dbraw/zinc/94/08/85/965940885.db2.gz ZDRRDYCRDZICFL-PSAQHYCVSA-N 2 3 263.429 1.448 20 0 CDADHP c1cc(CN2C[C@@H]3CC[NH2+]C[C@H]3C2)c2c(c1)C[NH2+]CC2 ZINC001550935015 966291046 /nfs/dbraw/zinc/29/10/46/966291046.db2.gz IORHAGUFOYGXEO-HOCLYGCPSA-N 2 3 271.408 1.374 20 0 CDADHP [NH3+]CC1(c2ccccc2)CC(N[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC001550945558 966296922 /nfs/dbraw/zinc/29/69/22/966296922.db2.gz VHLWOTRXOMOFKH-GMRIPVOYSA-N 2 3 285.435 1.905 20 0 CDADHP C[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)CC[NH2+]1 ZINC000650709796 398152779 /nfs/dbraw/zinc/15/27/79/398152779.db2.gz RAHPXRKIDRVUOY-AJNGGQMLSA-N 2 3 251.418 1.435 20 0 CDADHP C[C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)CC[NH2+]1 ZINC000650709796 398152782 /nfs/dbraw/zinc/15/27/82/398152782.db2.gz RAHPXRKIDRVUOY-AJNGGQMLSA-N 2 3 251.418 1.435 20 0 CDADHP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)C1CNC1 ZINC000422881075 245366575 /nfs/dbraw/zinc/36/65/75/245366575.db2.gz NKDONJFUDHWTPJ-UONOGXRCSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CNC1 ZINC000422881075 245366581 /nfs/dbraw/zinc/36/65/81/245366581.db2.gz NKDONJFUDHWTPJ-UONOGXRCSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@]1(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)CC[NH2+]C1 ZINC000567870858 371177820 /nfs/dbraw/zinc/17/78/20/371177820.db2.gz RZCAMFMLUOPLEI-XHSDSOJGSA-N 2 3 281.444 1.204 20 0 CDADHP [NH3+]CC1(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647544574 390985576 /nfs/dbraw/zinc/98/55/76/390985576.db2.gz ZNZNNQNVHLNNMC-KGLIPLIRSA-N 2 3 251.418 1.437 20 0 CDADHP CC[C@H]1CN(CCCC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647934674 391378062 /nfs/dbraw/zinc/37/80/62/391378062.db2.gz MCRBNLTXWBFXGB-GJZGRUSLSA-N 2 3 253.434 1.825 20 0 CDADHP C[C@@H](NC[C@@H](C)C[NH3+])c1cccc(OCC[NH+](C)C)c1 ZINC000423299671 392496660 /nfs/dbraw/zinc/49/66/60/392496660.db2.gz QJVIGTXRTAFUTA-UONOGXRCSA-N 2 3 279.428 1.872 20 0 CDADHP CC[C@H](NCC[C@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423277868 288042590 /nfs/dbraw/zinc/04/25/90/288042590.db2.gz QHGCDFJHYJIBTN-ILXRZTDVSA-N 2 3 253.434 1.886 20 0 CDADHP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCCC[C@@H]2N)CC1 ZINC000422857070 279356690 /nfs/dbraw/zinc/35/66/90/279356690.db2.gz GTLWPJSOSUTRGD-IRXDYDNUSA-N 2 3 296.503 1.654 20 0 CDADHP C[NH+](C)C1CCN(CCN[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422820571 289069390 /nfs/dbraw/zinc/06/93/90/289069390.db2.gz RHJNULHGCAUWLS-JKSUJKDBSA-N 2 3 282.476 1.262 20 0 CDADHP C(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)CN1CCCC1 ZINC000401051721 482530969 /nfs/dbraw/zinc/53/09/69/482530969.db2.gz YMNIRMXBXKJIBE-RBSFLKMASA-N 2 3 251.418 1.450 20 0 CDADHP CC(C)(C)[C@H](C[NH3+])NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903752258 626073840 /nfs/dbraw/zinc/07/38/40/626073840.db2.gz LRXCYAPBHCHIQH-STQMWFEESA-N 2 3 269.433 1.108 20 0 CDADHP C[C@@H]1CC2(C[N@@H+]1C[C@]1(C)CCCNC1)CC[NH2+]CC2 ZINC000904374328 626269928 /nfs/dbraw/zinc/26/99/28/626269928.db2.gz PXCUELFRFVDHDK-HUUCEWRRSA-N 2 3 265.445 1.840 20 0 CDADHP C[C@@H]1CC2(C[N@H+]1C[C@]1(C)CCCNC1)CC[NH2+]CC2 ZINC000904374328 626269929 /nfs/dbraw/zinc/26/99/29/626269929.db2.gz PXCUELFRFVDHDK-HUUCEWRRSA-N 2 3 265.445 1.840 20 0 CDADHP C[C@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)C[C@@H]1C[NH3+] ZINC000864055458 828347167 /nfs/dbraw/zinc/34/71/67/828347167.db2.gz PYQHCAIKSFPPID-JQWIXIFHSA-N 2 3 265.426 1.420 20 0 CDADHP C[NH+](C)C1(C)CCC(N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000715558052 828686164 /nfs/dbraw/zinc/68/61/64/828686164.db2.gz MZTWYDRGOBEXGQ-QWHPODBNSA-N 2 3 277.456 1.835 20 0 CDADHP C[C@@H](N[C@H]1CC[NH2+]C12CCCC2)C1CC[NH2+]CC1 ZINC000925729022 826325589 /nfs/dbraw/zinc/32/55/89/826325589.db2.gz NWBHJZILKDVQPH-OCCSQVGLSA-N 2 3 251.418 1.639 20 0 CDADHP CC[C@H]1C[C@H]([NH2+]CCCC2CC[NH2+]CC2)CCN1 ZINC001246103338 931016454 /nfs/dbraw/zinc/01/64/54/931016454.db2.gz HNISWAZBJYWAJR-LSDHHAIUSA-N 2 3 253.434 1.886 20 0 CDADHP CN1CCC(N(c2cc(N)cc[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001158575296 938639579 /nfs/dbraw/zinc/63/95/79/938639579.db2.gz KHTVOJOYTBGTEX-UHFFFAOYSA-N 2 3 289.427 1.316 20 0 CDADHP C(C[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1)[C@@H]1CNCCO1 ZINC001235153444 944072448 /nfs/dbraw/zinc/07/24/48/944072448.db2.gz SGJYAODHLATKIO-CVEARBPZSA-N 2 3 281.444 1.219 20 0 CDADHP C(C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1)[C@@H]1CNCCO1 ZINC001235153444 944072453 /nfs/dbraw/zinc/07/24/53/944072453.db2.gz SGJYAODHLATKIO-CVEARBPZSA-N 2 3 281.444 1.219 20 0 CDADHP C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)[C@@H]1CNCCO1 ZINC001235429024 944152665 /nfs/dbraw/zinc/15/26/65/944152665.db2.gz WIHXTISCRDZJRX-BZUAXINKSA-N 2 3 281.444 1.077 20 0 CDADHP C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)[C@@H]1CNCCO1 ZINC001235429024 944152671 /nfs/dbraw/zinc/15/26/71/944152671.db2.gz WIHXTISCRDZJRX-BZUAXINKSA-N 2 3 281.444 1.077 20 0 CDADHP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(CCCC[NH3+])C2 ZINC001235524635 944187218 /nfs/dbraw/zinc/18/72/18/944187218.db2.gz CBARJYCPLDVJLE-IRXDYDNUSA-N 2 3 295.471 1.406 20 0 CDADHP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(CCCC[NH3+])C2 ZINC001235524635 944187227 /nfs/dbraw/zinc/18/72/27/944187227.db2.gz CBARJYCPLDVJLE-IRXDYDNUSA-N 2 3 295.471 1.406 20 0 CDADHP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001246152489 947992978 /nfs/dbraw/zinc/99/29/78/947992978.db2.gz ZEQUHLOVMIOEKO-YHUYYLMFSA-N 2 3 292.471 1.075 20 0 CDADHP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001246152489 947992984 /nfs/dbraw/zinc/99/29/84/947992984.db2.gz ZEQUHLOVMIOEKO-YHUYYLMFSA-N 2 3 292.471 1.075 20 0 CDADHP F[C@@H]1CCNC[C@@H]1C[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246224320 948038744 /nfs/dbraw/zinc/03/87/44/948038744.db2.gz WCOGBVYTWWEINO-YHNBSYBMSA-N 2 3 283.435 1.836 20 0 CDADHP CC(C)(C)[C@@H]1C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)CCN1 ZINC001246276682 948072970 /nfs/dbraw/zinc/07/29/70/948072970.db2.gz FIADKKYSKIEHQF-MCIONIFRSA-N 2 3 253.434 1.742 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]CC2(CC3CC3)CC[NH2+]CC2)CCN1 ZINC001246386639 948149163 /nfs/dbraw/zinc/14/91/63/948149163.db2.gz SCDRDKQXIWKUOQ-HIFRSBDPSA-N 2 3 265.445 1.886 20 0 CDADHP COc1cccc(C[C@H](C)NCCC[NH2+]CCCC[NH3+])c1 ZINC001246459001 948184965 /nfs/dbraw/zinc/18/49/65/948184965.db2.gz WVBAHHUGQAUJFE-HNNXBMFYSA-N 2 3 293.455 1.934 20 0 CDADHP CC(C)(C)N1CCC([NH2+]CCSCC[NH3+])CC1 ZINC001256563633 948346487 /nfs/dbraw/zinc/34/64/87/948346487.db2.gz DGMRDPCIVMNVSE-UHFFFAOYSA-N 2 3 259.463 1.531 20 0 CDADHP CC(C)(C)[NH+]1CCC(NCCSCC[NH3+])CC1 ZINC001256563633 948346496 /nfs/dbraw/zinc/34/64/96/948346496.db2.gz DGMRDPCIVMNVSE-UHFFFAOYSA-N 2 3 259.463 1.531 20 0 CDADHP C1C[NH2+]CC2(C1)CCC([N@@H+]1C[C@H]3CC[C@@H](C1)NC3)CC2 ZINC001246867602 948493229 /nfs/dbraw/zinc/49/32/29/948493229.db2.gz PQGOQWSWQXRUGH-JUVOFCAFSA-N 2 3 277.456 1.983 20 0 CDADHP C1C[NH2+]CC2(C1)CCC([N@H+]1C[C@H]3CC[C@@H](C1)NC3)CC2 ZINC001246867602 948493234 /nfs/dbraw/zinc/49/32/34/948493234.db2.gz PQGOQWSWQXRUGH-JUVOFCAFSA-N 2 3 277.456 1.983 20 0 CDADHP C[C@H]1CC[C@@H](N2CCN(CC3CC[NH+](C)CC3)CC2)C[NH2+]1 ZINC001246951249 948536556 /nfs/dbraw/zinc/53/65/56/948536556.db2.gz YHEKQYBWEFVRDU-DOTOQJQBSA-N 2 3 294.487 1.086 20 0 CDADHP CC(C)(C[NH3+])CNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001575315092 1171150646 /nfs/dbraw/zinc/15/06/46/1171150646.db2.gz HIBDUIBRWDDQAS-MRXNPFEDSA-N 2 3 291.439 1.328 20 0 CDADHP CC(C)(C[NH3+])CNCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001575315092 1171150652 /nfs/dbraw/zinc/15/06/52/1171150652.db2.gz HIBDUIBRWDDQAS-MRXNPFEDSA-N 2 3 291.439 1.328 20 0 CDADHP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000422836307 359661187 /nfs/dbraw/zinc/66/11/87/359661187.db2.gz QYPMPEPQVCBZJW-NFAWXSAZSA-N 2 3 251.418 1.448 20 0 CDADHP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000566481243 360447398 /nfs/dbraw/zinc/44/73/98/360447398.db2.gz BPQMSDCPBFFRIY-LSDHHAIUSA-N 2 3 253.434 1.968 20 0 CDADHP [NH3+]C[C@H]1CCC[C@H]1NCc1cccc2c1CC[NH2+]C2 ZINC000635007600 360658497 /nfs/dbraw/zinc/65/84/97/360658497.db2.gz FBMQMJXUGPUEPR-MLGOLLRUSA-N 2 3 259.397 1.549 20 0 CDADHP C(C[N@@H+]1CC[C@H](CN2CCCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000420320437 376317115 /nfs/dbraw/zinc/31/71/15/376317115.db2.gz QFYUYJCEONKBQP-HZPDHXFCSA-N 2 3 265.445 1.794 20 0 CDADHP C(C[N@H+]1CC[C@H](CN2CCCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000420320437 376317120 /nfs/dbraw/zinc/31/71/20/376317120.db2.gz QFYUYJCEONKBQP-HZPDHXFCSA-N 2 3 265.445 1.794 20 0 CDADHP C(CN1CC[C@H](C[NH+]2CCCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000420320437 376317124 /nfs/dbraw/zinc/31/71/24/376317124.db2.gz QFYUYJCEONKBQP-HZPDHXFCSA-N 2 3 265.445 1.794 20 0 CDADHP c1cc(N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)cc[nH+]1 ZINC000649414495 392194605 /nfs/dbraw/zinc/19/46/05/392194605.db2.gz CANDGEVMIYWTCQ-OAHLLOKOSA-N 2 3 274.412 1.593 20 0 CDADHP CC[NH+](CC)CCOCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423040411 392292385 /nfs/dbraw/zinc/29/23/85/392292385.db2.gz UFVMWWXYSICNFX-BBWFWOEESA-N 2 3 297.487 1.855 20 0 CDADHP C([C@@H]1CCC2(CNC2)O1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662274249 414604446 /nfs/dbraw/zinc/60/44/46/414604446.db2.gz SIBIYSCHSFMWNK-PMPSAXMXSA-N 2 3 293.455 1.219 20 0 CDADHP C([C@@H]1CCC2(CNC2)O1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662274249 414604449 /nfs/dbraw/zinc/60/44/49/414604449.db2.gz SIBIYSCHSFMWNK-PMPSAXMXSA-N 2 3 293.455 1.219 20 0 CDADHP C[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@H]1CCN ZINC000652355903 424301641 /nfs/dbraw/zinc/30/16/41/424301641.db2.gz LZFWEBMNDHARLP-ILXRZTDVSA-N 2 3 253.434 1.825 20 0 CDADHP C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@H]1CCN ZINC000652355903 424301649 /nfs/dbraw/zinc/30/16/49/424301649.db2.gz LZFWEBMNDHARLP-ILXRZTDVSA-N 2 3 253.434 1.825 20 0 CDADHP C[NH+](C)CCOc1cccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000563426733 316307882 /nfs/dbraw/zinc/30/78/82/316307882.db2.gz WKMULEOGJGLDTQ-CVEARBPZSA-N 2 3 291.439 1.987 20 0 CDADHP C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCCC[NH2+]1 ZINC000902477699 624825863 /nfs/dbraw/zinc/82/58/63/624825863.db2.gz QSRSQFVKYZVPPI-XQLPTFJDSA-N 2 3 251.418 1.496 20 0 CDADHP C[C@@H]1C[C@@H](C)[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1CN ZINC000903930517 626150896 /nfs/dbraw/zinc/15/08/96/626150896.db2.gz ZGWNZSAREIEBII-BFTOHKKFSA-N 2 3 265.445 1.822 20 0 CDADHP C[C@@H]1C[C@@H](C)[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1CN ZINC000903930517 626150898 /nfs/dbraw/zinc/15/08/98/626150898.db2.gz ZGWNZSAREIEBII-BFTOHKKFSA-N 2 3 265.445 1.822 20 0 CDADHP C[NH+](C)C1CCC(N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000715531721 832238131 /nfs/dbraw/zinc/23/81/31/832238131.db2.gz JBQVLXAEVINBIA-GJSZQLPLSA-N 2 3 263.429 1.445 20 0 CDADHP C[C@@H]([NH3+])C[C@H](C)NCc1cc2c(s1)CC[NH2+]C2 ZINC000873213755 832259786 /nfs/dbraw/zinc/25/97/86/832259786.db2.gz OSOKJLIYYFZSDY-ZJUUUORDSA-N 2 3 253.415 1.609 20 0 CDADHP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)C1CNC1 ZINC000817899998 833878325 /nfs/dbraw/zinc/87/83/25/833878325.db2.gz JMMHQARJHGKCTC-IUDNXUCKSA-N 2 3 265.445 1.981 20 0 CDADHP C[C@@H]1CCN(Cc2nc3c(s2)C[NH2+]CC3)CC[C@@H]1C[NH3+] ZINC001205638387 923801713 /nfs/dbraw/zinc/80/17/13/923801713.db2.gz NDMFURQFPCMLLX-VXGBXAGGSA-N 2 3 294.468 1.596 20 0 CDADHP C[C@@H]1C[NH2+]CCC[C@@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246097747 930989335 /nfs/dbraw/zinc/98/93/35/930989335.db2.gz OBZFPAPHXCEPGA-SUJAAXHWSA-N 2 3 265.445 1.885 20 0 CDADHP C[C@H]1CC[C@@H](NCCCC2CC[NH+](C)CC2)C[NH2+]1 ZINC001246362419 931483745 /nfs/dbraw/zinc/48/37/45/931483745.db2.gz LHZKADJEPXONPK-DZGCQCFKSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@H]1[C@@H](CN)CCC[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001205903699 939954648 /nfs/dbraw/zinc/95/46/48/939954648.db2.gz QTWBIWCBVXMDDV-DZGCQCFKSA-N 2 3 265.445 1.825 20 0 CDADHP C[C@H]1[C@@H](CN)CCC[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001205903699 939954650 /nfs/dbraw/zinc/95/46/50/939954650.db2.gz QTWBIWCBVXMDDV-DZGCQCFKSA-N 2 3 265.445 1.825 20 0 CDADHP CC[C@@H](N)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206750022 940084730 /nfs/dbraw/zinc/08/47/30/940084730.db2.gz RSFSHSIAMFNRQU-OAHLLOKOSA-N 2 3 261.413 1.716 20 0 CDADHP C[C@@H]1CC[C@H](C[NH3+])CN1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001206772161 940087029 /nfs/dbraw/zinc/08/70/29/940087029.db2.gz YUWGFKZMHJDBQZ-UKRRQHHQSA-N 2 3 273.424 1.892 20 0 CDADHP C(C[N@@H+]1CCC[C@@]12CCCNC2)[C@@H]1CCC[NH2+]C1 ZINC001222231095 941576797 /nfs/dbraw/zinc/57/67/97/941576797.db2.gz IZOWGIRHUWSWJS-LSDHHAIUSA-N 2 3 251.418 1.594 20 0 CDADHP C(C[N@H+]1CCC[C@@]12CCCNC2)[C@@H]1CCC[NH2+]C1 ZINC001222231095 941576801 /nfs/dbraw/zinc/57/68/01/941576801.db2.gz IZOWGIRHUWSWJS-LSDHHAIUSA-N 2 3 251.418 1.594 20 0 CDADHP [NH3+]CC[C@@H]1CCCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001235925315 944322637 /nfs/dbraw/zinc/32/26/37/944322637.db2.gz HNBOBCYWHGRCRS-INIZCTEOSA-N 2 3 259.397 1.646 20 0 CDADHP c1c(CN2CC3(C2)CCC[NH2+]CC3)sc2c1CC[NH2+]C2 ZINC001236010255 944371783 /nfs/dbraw/zinc/37/17/83/944371783.db2.gz UYBMBSSMVBHQGD-UHFFFAOYSA-N 2 3 291.464 1.969 20 0 CDADHP CC1(C)CNCC[C@@H]1[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246374230 948143831 /nfs/dbraw/zinc/14/38/31/948143831.db2.gz TVEHIUAPXFVZCW-KGLIPLIRSA-N 2 3 265.445 1.886 20 0 CDADHP C[C@H]1CC[C@@H](NCC2(CC3CC3)CC[NH2+]CC2)C[NH2+]1 ZINC001246383715 948147007 /nfs/dbraw/zinc/14/70/07/948147007.db2.gz ILUHNCDRAYZDMC-DZGCQCFKSA-N 2 3 265.445 1.886 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]CC2(c3cccnc3)CC[NH2+]CC2)CCN1 ZINC001246423534 948166881 /nfs/dbraw/zinc/16/68/81/948166881.db2.gz OUAAUFDIKXWIHS-ZBFHGGJFSA-N 2 3 288.439 1.433 20 0 CDADHP C[C@@H]1C[C@@H](NCC2(c3cccnc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246423534 948166883 /nfs/dbraw/zinc/16/68/83/948166883.db2.gz OUAAUFDIKXWIHS-ZBFHGGJFSA-N 2 3 288.439 1.433 20 0 CDADHP C(C1CCC1)C1([NH2+][C@@H]2CSC3(C[NH2+]C3)C2)CCNCC1 ZINC001246449748 948178611 /nfs/dbraw/zinc/17/86/11/948178611.db2.gz XIEUPUZBZCRVKZ-AWEZNQCLSA-N 2 3 295.496 1.736 20 0 CDADHP CCN(CC)CC[C@H](C)[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246475430 948194153 /nfs/dbraw/zinc/19/41/53/948194153.db2.gz FNZSNYMODULPFL-IHRRRGAJSA-N 2 3 259.413 1.644 20 0 CDADHP C[NH+]1CCC(CN2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC001256208504 948239675 /nfs/dbraw/zinc/23/96/75/948239675.db2.gz BBHKXGJRONBKFT-UHFFFAOYSA-N 2 3 294.487 1.040 20 0 CDADHP CC[C@@H]1C[C@@H](N2CCC[C@](F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246552216 948258607 /nfs/dbraw/zinc/25/86/07/948258607.db2.gz SZHZCLYQWOVJGD-HZSPNIEDSA-N 2 3 257.397 1.670 20 0 CDADHP C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC[C@@H]1C[NH3+] ZINC001246555286 948261525 /nfs/dbraw/zinc/26/15/25/948261525.db2.gz DJSRDJSWHBXICC-DGXTUMSLSA-N 2 3 265.445 1.966 20 0 CDADHP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC[C@@H]1C[NH3+] ZINC001246555286 948261532 /nfs/dbraw/zinc/26/15/32/948261532.db2.gz DJSRDJSWHBXICC-DGXTUMSLSA-N 2 3 265.445 1.966 20 0 CDADHP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)C[C@H](C)N1 ZINC001246572802 948296910 /nfs/dbraw/zinc/29/69/10/948296910.db2.gz XWQOLUOUYWMMPY-AHDPXTMNSA-N 2 3 253.434 1.822 20 0 CDADHP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)C[C@H](C)N1 ZINC001246572802 948296920 /nfs/dbraw/zinc/29/69/20/948296920.db2.gz XWQOLUOUYWMMPY-AHDPXTMNSA-N 2 3 253.434 1.822 20 0 CDADHP NC[C@@H]1CCCC[N@@H+](C2CCC3(CC2)C[NH2+]CCO3)C1 ZINC001246597522 948334321 /nfs/dbraw/zinc/33/43/21/948334321.db2.gz XCBNTZUCZKLYED-FHERZECASA-N 2 3 281.444 1.348 20 0 CDADHP NC[C@@H]1CCCC[N@H+](C2CCC3(CC2)C[NH2+]CCO3)C1 ZINC001246597522 948334333 /nfs/dbraw/zinc/33/43/33/948334333.db2.gz XCBNTZUCZKLYED-FHERZECASA-N 2 3 281.444 1.348 20 0 CDADHP CC(C)(C)N1CCC([N@@H+]2CCNC3(CC[NH2+]CC3)C2)CC1 ZINC001246600952 948334921 /nfs/dbraw/zinc/33/49/21/948334921.db2.gz HRBWCVUOUACCHT-UHFFFAOYSA-N 2 3 294.487 1.277 20 0 CDADHP CC(C)(C)N1CCC([N@H+]2CCNC3(CC[NH2+]CC3)C2)CC1 ZINC001246600952 948334927 /nfs/dbraw/zinc/33/49/27/948334927.db2.gz HRBWCVUOUACCHT-UHFFFAOYSA-N 2 3 294.487 1.277 20 0 CDADHP C1CN(C2CCC3(CCC[NH2+]C3)CC2)[C@@H]2C[NH2+]C[C@H]12 ZINC001246644461 948382392 /nfs/dbraw/zinc/38/23/92/948382392.db2.gz HWBLRFHPTSNCTI-JWMHWRSXSA-N 2 3 263.429 1.593 20 0 CDADHP [NH3+]CC1CCC(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC001553024662 964488066 /nfs/dbraw/zinc/48/80/66/964488066.db2.gz MVMQBCGUFOQOHE-KNFZOUACSA-N 2 3 263.429 1.338 20 0 CDADHP CN1CCCC[C@@H]1CC[N@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550541057 966016906 /nfs/dbraw/zinc/01/69/06/966016906.db2.gz PTYKJVBPFKDIBK-BZUAXINKSA-N 2 3 265.445 1.744 20 0 CDADHP CN1CCCC[C@@H]1CC[N@@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550541057 966016919 /nfs/dbraw/zinc/01/69/19/966016919.db2.gz PTYKJVBPFKDIBK-BZUAXINKSA-N 2 3 265.445 1.744 20 0 CDADHP CN1CCCC[C@@H]1CC[NH+]1C[C@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001550541057 966016927 /nfs/dbraw/zinc/01/69/27/966016927.db2.gz PTYKJVBPFKDIBK-BZUAXINKSA-N 2 3 265.445 1.744 20 0 CDADHP CN1CCCC[C@@H]1CC[NH+]1C[C@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001550541057 966016937 /nfs/dbraw/zinc/01/69/37/966016937.db2.gz PTYKJVBPFKDIBK-BZUAXINKSA-N 2 3 265.445 1.744 20 0 CDADHP C[C@]1(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC[NH2+]C1 ZINC000650708332 398152018 /nfs/dbraw/zinc/15/20/18/398152018.db2.gz YBCGMTIHWCFOMD-FZKCQIBNSA-N 2 3 281.444 1.204 20 0 CDADHP CC[NH+]1CCC(C[NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000250400589 539071237 /nfs/dbraw/zinc/07/12/37/539071237.db2.gz ZBVBRYMARWSWCU-HOTGVXAUSA-N 2 3 265.445 1.935 20 0 CDADHP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000348188481 359898646 /nfs/dbraw/zinc/89/86/46/359898646.db2.gz LOMHSNJNPJSIRS-IRXDYDNUSA-N 2 3 297.487 1.903 20 0 CDADHP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000348188481 359898648 /nfs/dbraw/zinc/89/86/48/359898648.db2.gz LOMHSNJNPJSIRS-IRXDYDNUSA-N 2 3 297.487 1.903 20 0 CDADHP CC(C)[NH+]1CCC(O)(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000339068439 361257664 /nfs/dbraw/zinc/25/76/64/361257664.db2.gz QGFGZYOBVABZCC-HZPDHXFCSA-N 2 3 295.471 1.438 20 0 CDADHP CC(C)[NH+]1CCC(O)(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000339068439 361257667 /nfs/dbraw/zinc/25/76/67/361257667.db2.gz QGFGZYOBVABZCC-HZPDHXFCSA-N 2 3 295.471 1.438 20 0 CDADHP C[C@]1(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC[NH2+]C1 ZINC000414771924 241378702 /nfs/dbraw/zinc/37/87/02/241378702.db2.gz ASHDAQRDEWNOFW-KKUMJFAQSA-N 2 3 251.418 1.308 20 0 CDADHP [NH3+]CC[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000420319743 244078342 /nfs/dbraw/zinc/07/83/42/244078342.db2.gz YGBPJCCJDZTPJQ-HNNXBMFYSA-N 2 3 253.434 1.923 20 0 CDADHP OC[C@@H]1CCC[N@@H+]1CCCCN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000305350361 371067467 /nfs/dbraw/zinc/06/74/67/371067467.db2.gz QVUPLPYBRJMYNF-ZACQAIPSSA-N 2 3 295.471 1.440 20 0 CDADHP OC[C@@H]1CCC[N@H+]1CCCCN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000305350361 371067469 /nfs/dbraw/zinc/06/74/69/371067469.db2.gz QVUPLPYBRJMYNF-ZACQAIPSSA-N 2 3 295.471 1.440 20 0 CDADHP OC[C@@H]1CCC[NH+]1CCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000305350361 371067472 /nfs/dbraw/zinc/06/74/72/371067472.db2.gz QVUPLPYBRJMYNF-ZACQAIPSSA-N 2 3 295.471 1.440 20 0 CDADHP OC[C@@H]1CCC[NH+]1CCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000305350361 371067476 /nfs/dbraw/zinc/06/74/76/371067476.db2.gz QVUPLPYBRJMYNF-ZACQAIPSSA-N 2 3 295.471 1.440 20 0 CDADHP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000305350361 371067481 /nfs/dbraw/zinc/06/74/81/371067481.db2.gz QVUPLPYBRJMYNF-ZACQAIPSSA-N 2 3 295.471 1.440 20 0 CDADHP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000305350361 371067484 /nfs/dbraw/zinc/06/74/84/371067484.db2.gz QVUPLPYBRJMYNF-ZACQAIPSSA-N 2 3 295.471 1.440 20 0 CDADHP CCN(C)C[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420323152 284353818 /nfs/dbraw/zinc/35/38/18/284353818.db2.gz TZWADPNQPGQLQD-HUUCEWRRSA-N 2 3 253.434 1.650 20 0 CDADHP CCN(C)C[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420323152 284353819 /nfs/dbraw/zinc/35/38/19/284353819.db2.gz TZWADPNQPGQLQD-HUUCEWRRSA-N 2 3 253.434 1.650 20 0 CDADHP CC[N@H+](C)C[C@H]1CCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000420323152 284353820 /nfs/dbraw/zinc/35/38/20/284353820.db2.gz TZWADPNQPGQLQD-HUUCEWRRSA-N 2 3 253.434 1.650 20 0 CDADHP CC[N@@H+](C)C[C@H]1CCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000420323152 284353821 /nfs/dbraw/zinc/35/38/21/284353821.db2.gz TZWADPNQPGQLQD-HUUCEWRRSA-N 2 3 253.434 1.650 20 0 CDADHP C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000647509934 390976096 /nfs/dbraw/zinc/97/60/96/390976096.db2.gz ZMJCZTZEMZLNDT-GOEBONIOSA-N 2 3 291.439 1.796 20 0 CDADHP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)C1CNC1 ZINC000665299289 414045608 /nfs/dbraw/zinc/04/56/08/414045608.db2.gz JXUORVACZQCUIM-GFCCVEGCSA-N 2 3 251.418 1.306 20 0 CDADHP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc3c(c2)CNCC3)C1 ZINC000652340668 424259493 /nfs/dbraw/zinc/25/94/93/424259493.db2.gz CJDADIHCUJHTKK-CQSZACIVSA-N 2 3 273.424 1.893 20 0 CDADHP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CNCC3)C1 ZINC000652340668 424259498 /nfs/dbraw/zinc/25/94/98/424259498.db2.gz CJDADIHCUJHTKK-CQSZACIVSA-N 2 3 273.424 1.893 20 0 CDADHP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000925777520 617673598 /nfs/dbraw/zinc/67/35/98/617673598.db2.gz FERFXHGZPSVAFF-UHTWSYAYSA-N 2 3 262.401 1.769 20 0 CDADHP CC[N@@H+]1CC[C@H](N(C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@@H](C)C1 ZINC000903739042 626077764 /nfs/dbraw/zinc/07/77/64/626077764.db2.gz BFPXZBXYCAAPBR-LUKYLMHMSA-N 2 3 295.471 1.417 20 0 CDADHP CC[N@H+]1CC[C@H](N(C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@@H](C)C1 ZINC000903739042 626077766 /nfs/dbraw/zinc/07/77/66/626077766.db2.gz BFPXZBXYCAAPBR-LUKYLMHMSA-N 2 3 295.471 1.417 20 0 CDADHP [NH3+]C[C@]12CCC[C@H]1CN(C[C@@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC000903763822 626083073 /nfs/dbraw/zinc/08/30/73/626083073.db2.gz NQTCEMQTIYVMOQ-ZOBUZTSGSA-N 2 3 293.455 1.206 20 0 CDADHP CCC1([NH3+])CCN([C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000903948971 626163877 /nfs/dbraw/zinc/16/38/77/626163877.db2.gz WXIIQVZXAIKVMP-HZSPNIEDSA-N 2 3 251.418 1.578 20 0 CDADHP CC(C)(C)CC[C@H]([NH3+])CN[C@@H]1CC12CC[NH2+]CC2 ZINC000904354899 626263766 /nfs/dbraw/zinc/26/37/66/626263766.db2.gz KSWUZZKNHYVSKU-QWHCGFSZSA-N 2 3 253.434 1.872 20 0 CDADHP C[C@@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1[NH3+] ZINC000923292535 838059548 /nfs/dbraw/zinc/05/95/48/838059548.db2.gz ZAEDJUQRULQAIJ-VAQLIOGMSA-N 2 3 251.418 1.576 20 0 CDADHP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000849028025 840997176 /nfs/dbraw/zinc/99/71/76/840997176.db2.gz XWVOTMCLPVMYNV-GJZGRUSLSA-N 2 3 295.475 1.459 20 0 CDADHP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000849028025 840997182 /nfs/dbraw/zinc/99/71/82/840997182.db2.gz XWVOTMCLPVMYNV-GJZGRUSLSA-N 2 3 295.475 1.459 20 0 CDADHP COCCC1(CN[C@@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]CC1 ZINC001246368561 931486357 /nfs/dbraw/zinc/48/63/57/931486357.db2.gz FVZSVHRIGVJPRN-UONOGXRCSA-N 2 3 269.433 1.123 20 0 CDADHP C[C@H]1CN(Cc2ccccc2N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC001205140516 939827915 /nfs/dbraw/zinc/82/79/15/939827915.db2.gz LGUBNFKPRKYUCS-GOEBONIOSA-N 2 3 288.439 1.123 20 0 CDADHP c1cc2c(cc1CN1CC3(C1)CC[NH2+]CC3)C[NH2+]CC2 ZINC001235092945 944051685 /nfs/dbraw/zinc/05/16/85/944051685.db2.gz MJNRWEKLRQSSIZ-UHFFFAOYSA-N 2 3 271.408 1.518 20 0 CDADHP C(C[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)[C@H]1CNCCO1 ZINC001235153461 944072911 /nfs/dbraw/zinc/07/29/11/944072911.db2.gz SGJYAODHLATKIO-JKSUJKDBSA-N 2 3 281.444 1.219 20 0 CDADHP C(C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)[C@H]1CNCCO1 ZINC001235153461 944072919 /nfs/dbraw/zinc/07/29/19/944072919.db2.gz SGJYAODHLATKIO-JKSUJKDBSA-N 2 3 281.444 1.219 20 0 CDADHP CCC[NH+](CCC)CCCN1CCN(CCCC[NH3+])CC1 ZINC001236434968 944495840 /nfs/dbraw/zinc/49/58/40/944495840.db2.gz ZORQQGZJMDXBQO-UHFFFAOYSA-N 2 3 298.519 1.855 20 0 CDADHP C[C@H]1CC[C@H](NCC2CC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246129359 947974312 /nfs/dbraw/zinc/97/43/12/947974312.db2.gz WIYBAZCSLIPOLT-JSGCOSHPSA-N 2 3 251.418 1.496 20 0 CDADHP C[C@@H]1CC([NH2+]C[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)C[C@@H](C)N1 ZINC001246145072 947987225 /nfs/dbraw/zinc/98/72/25/947987225.db2.gz OPOPEHXFMJUHGE-FAHYXWLWSA-N 2 3 265.445 1.741 20 0 CDADHP CC[C@@H]1C[C@H]([N@@H+]2CCCC3(CC[NH2+]CC3)C2)CCN1 ZINC001246525365 948225797 /nfs/dbraw/zinc/22/57/97/948225797.db2.gz WNTDZBSHEPEOEJ-HUUCEWRRSA-N 2 3 265.445 1.983 20 0 CDADHP CC[C@@H]1C[C@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)CCN1 ZINC001246525365 948225804 /nfs/dbraw/zinc/22/58/04/948225804.db2.gz WNTDZBSHEPEOEJ-HUUCEWRRSA-N 2 3 265.445 1.983 20 0 CDADHP CC(C)[C@@H]1C[C@H](N2CCC[C@](F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246548915 948255144 /nfs/dbraw/zinc/25/51/44/948255144.db2.gz KWZCOHODFKJBEY-QLFBSQMISA-N 2 3 271.424 1.916 20 0 CDADHP C1[C@H]2CCNC[C@H]2[N@@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246665671 948396322 /nfs/dbraw/zinc/39/63/22/948396322.db2.gz RYNPMGSLFIQYNQ-YHNBSYBMSA-N 2 3 263.429 1.593 20 0 CDADHP C1[C@H]2CCNC[C@H]2[N@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246665671 948396331 /nfs/dbraw/zinc/39/63/31/948396331.db2.gz RYNPMGSLFIQYNQ-YHNBSYBMSA-N 2 3 263.429 1.593 20 0 CDADHP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CCN1 ZINC001246972816 948550615 /nfs/dbraw/zinc/55/06/15/948550615.db2.gz FOIRBKFQBZOOSY-AICCOOGYSA-N 2 3 265.445 1.822 20 0 CDADHP CC(C)(C)[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CCN1 ZINC001246972816 948550620 /nfs/dbraw/zinc/55/06/20/948550620.db2.gz FOIRBKFQBZOOSY-AICCOOGYSA-N 2 3 265.445 1.822 20 0 CDADHP NC[C@]12CCC[C@@H]1C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001550351679 965873040 /nfs/dbraw/zinc/87/30/40/965873040.db2.gz VBMXHPLSSFKTFW-USNXZVQNSA-N 2 3 263.429 1.578 20 0 CDADHP NC[C@]12CCC[C@@H]1C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001550351679 965873047 /nfs/dbraw/zinc/87/30/47/965873047.db2.gz VBMXHPLSSFKTFW-USNXZVQNSA-N 2 3 263.429 1.578 20 0 CDADHP NC[C@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000580312062 366059248 /nfs/dbraw/zinc/05/92/48/366059248.db2.gz HHSKOWSWBAYXPN-LXTVHRRPSA-N 2 3 251.418 1.482 20 0 CDADHP CCOC(=O)C1([C@H](C)NCC[C@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000423354239 359770523 /nfs/dbraw/zinc/77/05/23/359770523.db2.gz FZKSZIFWGMTZQU-UONOGXRCSA-N 2 3 297.443 1.040 20 0 CDADHP CCN1CC[NH+](CCCC[NH2+][C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000154452623 360353993 /nfs/dbraw/zinc/35/39/93/360353993.db2.gz DEWXOPRTWZZNDY-SJORKVTESA-N 2 3 296.503 1.476 20 0 CDADHP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](CN)[C@H](C)C[C@H]2C)CC[NH2+]1 ZINC000422560123 245112400 /nfs/dbraw/zinc/11/24/00/245112400.db2.gz FRNJSHGQSMUFNM-RYPNDVFKSA-N 2 3 253.434 1.680 20 0 CDADHP C[C@@H]1C[C@H](C[N@H+]2C[C@H](CN)[C@H](C)C[C@H]2C)CC[NH2+]1 ZINC000422560123 245112405 /nfs/dbraw/zinc/11/24/05/245112405.db2.gz FRNJSHGQSMUFNM-RYPNDVFKSA-N 2 3 253.434 1.680 20 0 CDADHP OC[C@@H]1CCC[N@@H+]1CCCCN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000305350353 371067385 /nfs/dbraw/zinc/06/73/85/371067385.db2.gz QVUPLPYBRJMYNF-BBWFWOEESA-N 2 3 295.471 1.440 20 0 CDADHP OC[C@@H]1CCC[N@H+]1CCCCN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000305350353 371067390 /nfs/dbraw/zinc/06/73/90/371067390.db2.gz QVUPLPYBRJMYNF-BBWFWOEESA-N 2 3 295.471 1.440 20 0 CDADHP OC[C@@H]1CCC[NH+]1CCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000305350353 371067393 /nfs/dbraw/zinc/06/73/93/371067393.db2.gz QVUPLPYBRJMYNF-BBWFWOEESA-N 2 3 295.471 1.440 20 0 CDADHP OC[C@@H]1CCC[NH+]1CCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000305350353 371067396 /nfs/dbraw/zinc/06/73/96/371067396.db2.gz QVUPLPYBRJMYNF-BBWFWOEESA-N 2 3 295.471 1.440 20 0 CDADHP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000305350353 371067402 /nfs/dbraw/zinc/06/74/02/371067402.db2.gz QVUPLPYBRJMYNF-BBWFWOEESA-N 2 3 295.471 1.440 20 0 CDADHP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000305350353 371067405 /nfs/dbraw/zinc/06/74/05/371067405.db2.gz QVUPLPYBRJMYNF-BBWFWOEESA-N 2 3 295.471 1.440 20 0 CDADHP C([C@H]1CCC[NH2+]C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000336021399 390902296 /nfs/dbraw/zinc/90/22/96/390902296.db2.gz MUXYWIDNBFRRQY-ZFWWWQNUSA-N 2 3 251.418 1.308 20 0 CDADHP C([C@H]1CCCNC1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000336021399 390902297 /nfs/dbraw/zinc/90/22/97/390902297.db2.gz MUXYWIDNBFRRQY-ZFWWWQNUSA-N 2 3 251.418 1.308 20 0 CDADHP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCNC2)CC1 ZINC000415078895 390995501 /nfs/dbraw/zinc/99/55/01/390995501.db2.gz HGHOPTOXXIIJON-HNNXBMFYSA-N 2 3 253.434 1.696 20 0 CDADHP C[C@H](NCC1(C)CC[NH+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000395255002 391771023 /nfs/dbraw/zinc/77/10/23/391771023.db2.gz VKOJCTJJAOOWBS-KBPBESRZSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)[C@@H]1CCCC[NH2+]1 ZINC000422982880 392274575 /nfs/dbraw/zinc/27/45/75/392274575.db2.gz XXOYUJCQBMHYOK-PMPSAXMXSA-N 2 3 283.460 1.344 20 0 CDADHP C[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)[C@@H]1CCCC[NH2+]1 ZINC000422982880 392274578 /nfs/dbraw/zinc/27/45/78/392274578.db2.gz XXOYUJCQBMHYOK-PMPSAXMXSA-N 2 3 283.460 1.344 20 0 CDADHP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC1=CC[NH2+]CC1 ZINC000423361575 392541638 /nfs/dbraw/zinc/54/16/38/392541638.db2.gz XEMQTFUPUGOUHJ-UKRRQHHQSA-N 2 3 251.418 1.807 20 0 CDADHP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CNCC3)C1 ZINC000656787084 413666791 /nfs/dbraw/zinc/66/67/91/413666791.db2.gz SVPXBWRJGRLEET-BLLLJJGKSA-N 2 3 259.397 1.549 20 0 CDADHP CCO[C@H](CC[NH+](C)C)CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000568248582 293999005 /nfs/dbraw/zinc/99/90/05/293999005.db2.gz VGQSBMHQCLSBBJ-MELADBBJSA-N 2 3 257.422 1.203 20 0 CDADHP NC1(C[NH2+]C2CCC([NH3+])CC2)C2CC3CC(C2)CC1C3 ZINC000335021363 303361887 /nfs/dbraw/zinc/36/18/87/303361887.db2.gz QDKUFMPUXYGANE-UHFFFAOYSA-N 2 3 277.456 2.000 20 0 CDADHP CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000576943474 317235531 /nfs/dbraw/zinc/23/55/31/317235531.db2.gz KGUQNJSVSBJDCP-KRWDZBQOSA-N 2 3 296.503 1.463 20 0 CDADHP CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000576943474 317235533 /nfs/dbraw/zinc/23/55/33/317235533.db2.gz KGUQNJSVSBJDCP-KRWDZBQOSA-N 2 3 296.503 1.463 20 0 CDADHP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCNC1 ZINC000583434868 325173909 /nfs/dbraw/zinc/17/39/09/325173909.db2.gz IOMMAUNWAMBZKM-VQJWOFKYSA-N 2 3 251.418 1.352 20 0 CDADHP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)C1 ZINC000902339039 624670356 /nfs/dbraw/zinc/67/03/56/624670356.db2.gz PZMNDSOBNJTSPZ-UONOGXRCSA-N 2 3 265.445 1.839 20 0 CDADHP CC(C)[N@H+](C)CC1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903442241 625997114 /nfs/dbraw/zinc/99/71/14/625997114.db2.gz LSKGBEGOIDAPQA-ZBFHGGJFSA-N 2 3 267.461 1.894 20 0 CDADHP CC(C)[N@@H+](C)CC1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903442241 625997117 /nfs/dbraw/zinc/99/71/17/625997117.db2.gz LSKGBEGOIDAPQA-ZBFHGGJFSA-N 2 3 267.461 1.894 20 0 CDADHP [NH3+]C[C@]12CCC[C@H]1CN(C[C@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC000903763821 626082995 /nfs/dbraw/zinc/08/29/95/626082995.db2.gz NQTCEMQTIYVMOQ-UXLLHSPISA-N 2 3 293.455 1.206 20 0 CDADHP CC(C)(C)[C@]1(CN)CC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903778502 626090900 /nfs/dbraw/zinc/09/09/00/626090900.db2.gz NQZQIMUWENUPED-UAGQMJEPSA-N 2 3 295.471 1.452 20 0 CDADHP CC(C)(C)[C@]1(CN)CC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903778502 626090901 /nfs/dbraw/zinc/09/09/01/626090901.db2.gz NQZQIMUWENUPED-UAGQMJEPSA-N 2 3 295.471 1.452 20 0 CDADHP [NH3+]Cc1ccc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000904374764 626269756 /nfs/dbraw/zinc/26/97/56/626269756.db2.gz WJAIYGODAZSHMZ-HOTGVXAUSA-N 2 3 259.397 1.706 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]C2CCC3(CC[NH2+]C3)CC2)CCN1 ZINC001246216792 931219571 /nfs/dbraw/zinc/21/95/71/931219571.db2.gz ITKYYBUAVFGHQT-JLVJUDLZSA-N 2 3 251.418 1.639 20 0 CDADHP C[NH2+][C@@]12CC[C@@]([NH2+]C[C@H]3CCCN(C)C3)(C1)CCC2 ZINC001276497782 940100720 /nfs/dbraw/zinc/10/07/20/940100720.db2.gz ZXVFBHCNKSBJBX-OWCLPIDISA-N 2 3 265.445 1.983 20 0 CDADHP N[C@@H](CCCC[NH3+])C(=O)Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001218972591 941295632 /nfs/dbraw/zinc/29/56/32/941295632.db2.gz PVUKUDPLLGDHOK-AWEZNQCLSA-N 2 3 290.411 1.419 20 0 CDADHP C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)[C@H]1CNCCO1 ZINC001235429027 944153425 /nfs/dbraw/zinc/15/34/25/944153425.db2.gz WIHXTISCRDZJRX-PMPSAXMXSA-N 2 3 281.444 1.077 20 0 CDADHP C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)[C@H]1CNCCO1 ZINC001235429027 944153428 /nfs/dbraw/zinc/15/34/28/944153428.db2.gz WIHXTISCRDZJRX-PMPSAXMXSA-N 2 3 281.444 1.077 20 0 CDADHP CC[C@@H]1C[C@@H](NC[C@@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)C[C@H](CC)[NH2+]1 ZINC001246134517 947979072 /nfs/dbraw/zinc/97/90/72/947979072.db2.gz NLPAXBNURNEORV-RDGWLKQMSA-N 2 3 281.444 1.262 20 0 CDADHP C[C@@H]1C[N@@H+]([C@@H]2CCNC(C)(C)C2)CCC[C@@H]1C[NH3+] ZINC001246571656 948292109 /nfs/dbraw/zinc/29/21/09/948292109.db2.gz WRAKUBKWPNVVEG-MGPQQGTHSA-N 2 3 253.434 1.824 20 0 CDADHP C[C@@H]1C[N@H+]([C@@H]2CCNC(C)(C)C2)CCC[C@@H]1C[NH3+] ZINC001246571656 948292119 /nfs/dbraw/zinc/29/21/19/948292119.db2.gz WRAKUBKWPNVVEG-MGPQQGTHSA-N 2 3 253.434 1.824 20 0 CDADHP CCCN1CCC([NH+]2CCC(F)(C[NH3+])CC2)CC1 ZINC001246631924 948367872 /nfs/dbraw/zinc/36/78/72/948367872.db2.gz XXZVNXRJUAMGFQ-UHFFFAOYSA-N 2 3 257.397 1.624 20 0 CDADHP C[C@H]1C[C@@H]([NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)CCN1 ZINC001246658080 948392997 /nfs/dbraw/zinc/39/29/97/948392997.db2.gz TWZRGZZWUZMMRV-CWRNSKLLSA-N 2 3 265.445 1.981 20 0 CDADHP C[C@H]1C[C@@H](N2CCC([C@H]3CCCC[NH2+]3)CC2)CC[NH2+]1 ZINC001246658080 948393003 /nfs/dbraw/zinc/39/30/03/948393003.db2.gz TWZRGZZWUZMMRV-CWRNSKLLSA-N 2 3 265.445 1.981 20 0 CDADHP c1ccc(C[C@@H]2C[C@H]([N@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)CCN2)cc1 ZINC001246848929 948475832 /nfs/dbraw/zinc/47/58/32/948475832.db2.gz XGARTUCBINFSPF-NCXUSEDFSA-N 2 3 299.462 1.891 20 0 CDADHP c1ccc(C[C@@H]2C[C@H]([N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)CCN2)cc1 ZINC001246848929 948475836 /nfs/dbraw/zinc/47/58/36/948475836.db2.gz XGARTUCBINFSPF-NCXUSEDFSA-N 2 3 299.462 1.891 20 0 CDADHP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246945391 948534476 /nfs/dbraw/zinc/53/44/76/948534476.db2.gz ZXHLFWXUZIOCDR-HUSMAVQQSA-N 2 3 263.429 1.591 20 0 CDADHP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246945391 948534482 /nfs/dbraw/zinc/53/44/82/948534482.db2.gz ZXHLFWXUZIOCDR-HUSMAVQQSA-N 2 3 263.429 1.591 20 0 CDADHP [NH3+]CC1(c2ccccc2)CC(N[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC001550945562 966297245 /nfs/dbraw/zinc/29/72/45/966297245.db2.gz VHLWOTRXOMOFKH-JCCCHCCOSA-N 2 3 285.435 1.905 20 0 CDADHP C[C@H]1C[NH2+]C[C@@H]1CN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001551391350 966605261 /nfs/dbraw/zinc/60/52/61/966605261.db2.gz DBLDXXNYXMKMTE-JKSUJKDBSA-N 2 3 287.451 1.834 20 0 CDADHP C(CC1CC[NH2+]CC1)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000650763414 398184634 /nfs/dbraw/zinc/18/46/34/398184634.db2.gz ZQDFTRJVJXCDEU-GJZGRUSLSA-N 2 3 251.418 1.593 20 0 CDADHP C(CC1CC[NH2+]CC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000650763414 398184635 /nfs/dbraw/zinc/18/46/35/398184635.db2.gz ZQDFTRJVJXCDEU-GJZGRUSLSA-N 2 3 251.418 1.593 20 0 CDADHP C(CC1CC[NH2+]CC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000650763414 398184638 /nfs/dbraw/zinc/18/46/38/398184638.db2.gz ZQDFTRJVJXCDEU-GJZGRUSLSA-N 2 3 251.418 1.593 20 0 CDADHP C[C@@H]1C[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)CC[N@@H+]1C ZINC000635010287 360653469 /nfs/dbraw/zinc/65/34/69/360653469.db2.gz RYYFWGZRMDSEGS-ZIAGYGMSSA-N 2 3 289.427 1.386 20 0 CDADHP C[C@@H]1C[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)CC[N@H+]1C ZINC000635010287 360653479 /nfs/dbraw/zinc/65/34/79/360653479.db2.gz RYYFWGZRMDSEGS-ZIAGYGMSSA-N 2 3 289.427 1.386 20 0 CDADHP CC(C)[C@H](CN)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000634995272 360623186 /nfs/dbraw/zinc/62/31/86/360623186.db2.gz ZKBSFWGAULDRLG-HRCADAONSA-N 2 3 267.461 1.929 20 0 CDADHP CC(C)[C@H](CN)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000634995272 360623191 /nfs/dbraw/zinc/62/31/91/360623191.db2.gz ZKBSFWGAULDRLG-HRCADAONSA-N 2 3 267.461 1.929 20 0 CDADHP C[C@H]([NH2+]C[C@]1(C)CCCNC1)C1CC[NH+](C)CC1 ZINC000643518479 360948742 /nfs/dbraw/zinc/94/87/42/360948742.db2.gz NUDUQECJFSDUEI-DZGCQCFKSA-N 2 3 253.434 1.696 20 0 CDADHP CCCN(C)C[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420326190 244087815 /nfs/dbraw/zinc/08/78/15/244087815.db2.gz XGIDUTXJXGUQMC-HUUCEWRRSA-N 2 3 253.434 1.650 20 0 CDADHP CCCN(C)C[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420326190 244087819 /nfs/dbraw/zinc/08/78/19/244087819.db2.gz XGIDUTXJXGUQMC-HUUCEWRRSA-N 2 3 253.434 1.650 20 0 CDADHP CCC[N@H+](C)C[C@H]1CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000420326190 244087824 /nfs/dbraw/zinc/08/78/24/244087824.db2.gz XGIDUTXJXGUQMC-HUUCEWRRSA-N 2 3 253.434 1.650 20 0 CDADHP CCC[N@@H+](C)C[C@H]1CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000420326190 244087827 /nfs/dbraw/zinc/08/78/27/244087827.db2.gz XGIDUTXJXGUQMC-HUUCEWRRSA-N 2 3 253.434 1.650 20 0 CDADHP C[C@H]1CCC[N@H+](CCCCNC[C@H](O)C[NH+](C)C2CC2)C1 ZINC000581483316 373033074 /nfs/dbraw/zinc/03/30/74/373033074.db2.gz DBABUZFHMCRACJ-RDJZCZTQSA-N 2 3 297.487 1.543 20 0 CDADHP C[C@H]1CCC[N@@H+](CCCCNC[C@H](O)C[NH+](C)C2CC2)C1 ZINC000581483316 373033081 /nfs/dbraw/zinc/03/30/81/373033081.db2.gz DBABUZFHMCRACJ-RDJZCZTQSA-N 2 3 297.487 1.543 20 0 CDADHP C[C@H]1CCC[NH+](CCCCNC[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000581483316 373033085 /nfs/dbraw/zinc/03/30/85/373033085.db2.gz DBABUZFHMCRACJ-RDJZCZTQSA-N 2 3 297.487 1.543 20 0 CDADHP C[C@H]1CCC[NH+](CCCCNC[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000581483316 373033089 /nfs/dbraw/zinc/03/30/89/373033089.db2.gz DBABUZFHMCRACJ-RDJZCZTQSA-N 2 3 297.487 1.543 20 0 CDADHP C([C@@H]1CCCNC1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543660 390987439 /nfs/dbraw/zinc/98/74/39/390987439.db2.gz QXTQXFIDIIGOAK-PMPSAXMXSA-N 2 3 265.445 1.698 20 0 CDADHP C([C@@H]1CCCNC1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543660 390987441 /nfs/dbraw/zinc/98/74/41/390987441.db2.gz QXTQXFIDIIGOAK-PMPSAXMXSA-N 2 3 265.445 1.698 20 0 CDADHP C([C@@H]1CCC[NH2+]C1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543660 390987445 /nfs/dbraw/zinc/98/74/45/390987445.db2.gz QXTQXFIDIIGOAK-PMPSAXMXSA-N 2 3 265.445 1.698 20 0 CDADHP C[N@@H+]1CCCC[C@H]1CN1CCN(CC2CC[NH2+]CC2)CC1 ZINC000346848346 391375341 /nfs/dbraw/zinc/37/53/41/391375341.db2.gz OBSGNGUBZOAJHI-KRWDZBQOSA-N 2 3 294.487 1.088 20 0 CDADHP C[N@H+]1CCCC[C@H]1CN1CCN(CC2CC[NH2+]CC2)CC1 ZINC000346848346 391375346 /nfs/dbraw/zinc/37/53/46/391375346.db2.gz OBSGNGUBZOAJHI-KRWDZBQOSA-N 2 3 294.487 1.088 20 0 CDADHP C[C@@H](NCC1(C)CC[NH+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000395255007 391770903 /nfs/dbraw/zinc/77/09/03/391770903.db2.gz VKOJCTJJAOOWBS-ZIAGYGMSSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@@H](N)C[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665298914 414040654 /nfs/dbraw/zinc/04/06/54/414040654.db2.gz CFAWDGYZFBMIJR-OLZOCXBDSA-N 2 3 253.434 1.824 20 0 CDADHP C([C@@H]1CC[NH2+]C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293410 414620850 /nfs/dbraw/zinc/62/08/50/414620850.db2.gz KSBZGWCWYBJYIW-HIFRSBDPSA-N 2 3 251.418 1.308 20 0 CDADHP NC[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000568499406 294046197 /nfs/dbraw/zinc/04/61/97/294046197.db2.gz UHZZPVRCJDUNLB-YQQAZPJKSA-N 2 3 287.407 1.569 20 0 CDADHP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925703715 617770301 /nfs/dbraw/zinc/77/03/01/617770301.db2.gz FFRVVZMHMVZIQI-SLBVQIDZSA-N 2 3 265.445 1.872 20 0 CDADHP [NH3+]C[C@H]1CCCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923281333 697743473 /nfs/dbraw/zinc/74/34/73/697743473.db2.gz PBKMNTHYPOZKOC-NUDNTCICSA-N 2 3 251.418 1.578 20 0 CDADHP CC(C)[NH+]1CCC(CCNC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000872222833 698014496 /nfs/dbraw/zinc/01/44/96/698014496.db2.gz GAWCIEAACGZILJ-KRWDZBQOSA-N 2 3 297.487 1.543 20 0 CDADHP C[NH+](C)C[C@@]12C[C@@H]1CN(CC1CC[NH+](C)CC1)C2 ZINC001207399369 940189749 /nfs/dbraw/zinc/18/97/49/940189749.db2.gz KYKVBUWDQFDPMO-HUUCEWRRSA-N 2 3 251.418 1.212 20 0 CDADHP N[C@@H](CCCC[NH3+])C(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218996400 941299469 /nfs/dbraw/zinc/29/94/69/941299469.db2.gz ITSCTBGDKQTSQB-ZFWWWQNUSA-N 2 3 290.411 1.158 20 0 CDADHP c1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc2c1CNC2 ZINC001235092303 944051453 /nfs/dbraw/zinc/05/14/53/944051453.db2.gz LMTJCUUQODDRNO-UHFFFAOYSA-N 2 3 271.408 1.865 20 0 CDADHP c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc2c1CNC2 ZINC001235092303 944051459 /nfs/dbraw/zinc/05/14/59/944051459.db2.gz LMTJCUUQODDRNO-UHFFFAOYSA-N 2 3 271.408 1.865 20 0 CDADHP C[C@@H]1C[NH2+]CCC[C@@H]1C[NH2+][C@H]1CCNC(C)(C)C1 ZINC001246098187 947949416 /nfs/dbraw/zinc/94/94/16/947949416.db2.gz PWMHSQAJVMITCZ-MCIONIFRSA-N 2 3 253.434 1.742 20 0 CDADHP C[C@@H]1C[C@@H](NC[C@@H]2CCC3(CC[NH2+]CC3)O2)CC[NH2+]1 ZINC001246138395 947981770 /nfs/dbraw/zinc/98/17/70/947981770.db2.gz ZNZSLDKXXVHFIJ-RDBSUJKOSA-N 2 3 267.417 1.018 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)O2)CCN1 ZINC001246138395 947981778 /nfs/dbraw/zinc/98/17/78/947981778.db2.gz ZNZSLDKXXVHFIJ-RDBSUJKOSA-N 2 3 267.417 1.018 20 0 CDADHP CCCC[C@H]1C[C@@H](NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CC[NH2+]1 ZINC001246151163 947991120 /nfs/dbraw/zinc/99/11/20/947991120.db2.gz ZGDPFSMYQNPHLL-CWVYHPPDSA-N 2 3 281.444 1.264 20 0 CDADHP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246323926 948106034 /nfs/dbraw/zinc/10/60/34/948106034.db2.gz FXRFDKNWFGUUIT-IAFRHDTASA-N 2 3 263.429 1.874 20 0 CDADHP C([NH2+]C1CCNCC1)C1(CC2CCC2)CC[NH2+]CC1 ZINC001246423114 948168107 /nfs/dbraw/zinc/16/81/07/948168107.db2.gz IFMWGWUURIBMEJ-UHFFFAOYSA-N 2 3 265.445 1.888 20 0 CDADHP C[C@@H]1[C@H](CN)CCC[N@@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246565225 948281803 /nfs/dbraw/zinc/28/18/03/948281803.db2.gz PFMLPUFWMWKJCS-ILXRZTDVSA-N 2 3 265.445 1.968 20 0 CDADHP C[C@@H]1[C@H](CN)CCC[N@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246565225 948281808 /nfs/dbraw/zinc/28/18/08/948281808.db2.gz PFMLPUFWMWKJCS-ILXRZTDVSA-N 2 3 265.445 1.968 20 0 CDADHP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](C)(C[NH3+])CC2)CCN1 ZINC001246576828 948301503 /nfs/dbraw/zinc/30/15/03/948301503.db2.gz MZHHZAWXOJZLNQ-QLFBSQMISA-N 2 3 253.434 1.968 20 0 CDADHP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CCN1 ZINC001246576828 948301509 /nfs/dbraw/zinc/30/15/09/948301509.db2.gz MZHHZAWXOJZLNQ-QLFBSQMISA-N 2 3 253.434 1.968 20 0 CDADHP C1CC([NH+]2CCC(C3CC[NH2+]CC3)CC2)CCN1 ZINC001246790685 948440182 /nfs/dbraw/zinc/44/01/82/948440182.db2.gz DZZYJYLQCVKOSF-UHFFFAOYSA-N 2 3 251.418 1.450 20 0 CDADHP C1CC(C2CCN(C3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246790685 948440186 /nfs/dbraw/zinc/44/01/86/948440186.db2.gz DZZYJYLQCVKOSF-UHFFFAOYSA-N 2 3 251.418 1.450 20 0 CDADHP CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000250647369 344048464 /nfs/dbraw/zinc/04/84/64/344048464.db2.gz VRYYFTDVPNRWRX-FXUDXRNXSA-N 2 3 265.445 1.839 20 0 CDADHP O[C@@H](CNCC1CC[NH+](CC2CC2)CC1)C[NH+]1CCCC1 ZINC000629585413 363053086 /nfs/dbraw/zinc/05/30/86/363053086.db2.gz UTCNWSZZCMMBMN-KRWDZBQOSA-N 2 3 295.471 1.155 20 0 CDADHP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](N(C)C)CC2)CC[NH2+]1 ZINC000414730263 366034231 /nfs/dbraw/zinc/03/42/31/366034231.db2.gz AODQVQBXPUGFEQ-RBSFLKMASA-N 2 3 253.434 1.791 20 0 CDADHP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](N(C)C)CC2)CC[NH2+]1 ZINC000414730263 366034240 /nfs/dbraw/zinc/03/42/40/366034240.db2.gz AODQVQBXPUGFEQ-RBSFLKMASA-N 2 3 253.434 1.791 20 0 CDADHP [NH3+][C@@H]1CCC[C@@H](NCc2cccc3c2CC[NH2+]C3)C1 ZINC000635004908 360649102 /nfs/dbraw/zinc/64/91/02/360649102.db2.gz RECYZNMQNALEKN-HUUCEWRRSA-N 2 3 259.397 1.692 20 0 CDADHP C[C@H](CCCC[NH3+])Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635010906 360654344 /nfs/dbraw/zinc/65/43/44/360654344.db2.gz LIEPATQMHIZHBR-CYBMUJFWSA-N 2 3 277.416 1.421 20 0 CDADHP C[C@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C[NH3+] ZINC000630076513 367302260 /nfs/dbraw/zinc/30/22/60/367302260.db2.gz JYKBZYLIWOMREB-BLLLJJGKSA-N 2 3 259.397 1.359 20 0 CDADHP CC[N@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCNCC1 ZINC000420306046 244054007 /nfs/dbraw/zinc/05/40/07/244054007.db2.gz HFSLJNSZDXNEEP-HUUCEWRRSA-N 2 3 253.434 1.840 20 0 CDADHP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCNCC1 ZINC000420306046 244054013 /nfs/dbraw/zinc/05/40/13/244054013.db2.gz HFSLJNSZDXNEEP-HUUCEWRRSA-N 2 3 253.434 1.840 20 0 CDADHP C[C@@H]([NH3+])C[C@H](C)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000422905622 245390789 /nfs/dbraw/zinc/39/07/89/245390789.db2.gz ZKJMMJFLGOKHLN-KGLIPLIRSA-N 2 3 279.428 1.842 20 0 CDADHP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)C1CC[NH2+]CC1 ZINC000581720340 373215454 /nfs/dbraw/zinc/21/54/54/373215454.db2.gz LIRHBLIMPYQPCL-ARFHVFGLSA-N 2 3 265.445 1.886 20 0 CDADHP CCN(CC)C[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420325765 376338763 /nfs/dbraw/zinc/33/87/63/376338763.db2.gz WSXMYNPTOAICRB-CABCVRRESA-N 2 3 253.434 1.650 20 0 CDADHP CCN(CC)C[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420325765 376338770 /nfs/dbraw/zinc/33/87/70/376338770.db2.gz WSXMYNPTOAICRB-CABCVRRESA-N 2 3 253.434 1.650 20 0 CDADHP CC[NH+](CC)C[C@@H]1CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000420325765 376338772 /nfs/dbraw/zinc/33/87/72/376338772.db2.gz WSXMYNPTOAICRB-CABCVRRESA-N 2 3 253.434 1.650 20 0 CDADHP CC[NH+](CC)CCOCCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000423040882 284640767 /nfs/dbraw/zinc/64/07/67/284640767.db2.gz VFGGZRZFSZJCNU-CABCVRRESA-N 2 3 271.449 1.323 20 0 CDADHP C([C@@H]1CCC[NH2+]C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000336021397 390902396 /nfs/dbraw/zinc/90/23/96/390902396.db2.gz MUXYWIDNBFRRQY-HIFRSBDPSA-N 2 3 251.418 1.308 20 0 CDADHP C([C@@H]1CCCNC1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000336021397 390902397 /nfs/dbraw/zinc/90/23/97/390902397.db2.gz MUXYWIDNBFRRQY-HIFRSBDPSA-N 2 3 251.418 1.308 20 0 CDADHP C([C@@H]1CCCNC1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543657 390987423 /nfs/dbraw/zinc/98/74/23/390987423.db2.gz QXTQXFIDIIGOAK-BZUAXINKSA-N 2 3 265.445 1.698 20 0 CDADHP C([C@@H]1CCCNC1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543657 390987425 /nfs/dbraw/zinc/98/74/25/390987425.db2.gz QXTQXFIDIIGOAK-BZUAXINKSA-N 2 3 265.445 1.698 20 0 CDADHP C([C@@H]1CCC[NH2+]C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543657 390987428 /nfs/dbraw/zinc/98/74/28/390987428.db2.gz QXTQXFIDIIGOAK-BZUAXINKSA-N 2 3 265.445 1.698 20 0 CDADHP NC[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CC12CCOCC2 ZINC000568090214 392361290 /nfs/dbraw/zinc/36/12/90/392361290.db2.gz YGPDNMBTGNDEQZ-CABCVRRESA-N 2 3 281.444 1.063 20 0 CDADHP NC[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC12CCOCC2 ZINC000568090214 392361295 /nfs/dbraw/zinc/36/12/95/392361295.db2.gz YGPDNMBTGNDEQZ-CABCVRRESA-N 2 3 281.444 1.063 20 0 CDADHP C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423440461 296576591 /nfs/dbraw/zinc/57/65/91/296576591.db2.gz SZTMCFXLAKFTDB-UQOMUDLDSA-N 2 3 251.418 1.352 20 0 CDADHP [NH3+][C@H]1CCC[C@H](CNCc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000577173231 317278140 /nfs/dbraw/zinc/27/81/40/317278140.db2.gz DFUMXQWSXDXNCP-JSGCOSHPSA-N 2 3 292.427 1.749 20 0 CDADHP CC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCCNCC1 ZINC000414718259 535773199 /nfs/dbraw/zinc/77/31/99/535773199.db2.gz RAUPLWFFNDRPLB-KFWWJZLASA-N 2 3 253.434 1.839 20 0 CDADHP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCCNCC1 ZINC000414718259 535773203 /nfs/dbraw/zinc/77/32/03/535773203.db2.gz RAUPLWFFNDRPLB-KFWWJZLASA-N 2 3 253.434 1.839 20 0 CDADHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923507424 709579366 /nfs/dbraw/zinc/57/93/66/709579366.db2.gz PJRXSHSKMMFBKX-INMHGKMJSA-N 2 3 279.472 1.944 20 0 CDADHP [NH3+]C[C@@H]1CCC[C@H]1NCc1cc2c(s1)CC[NH2+]C2 ZINC000873210590 711544864 /nfs/dbraw/zinc/54/48/64/711544864.db2.gz LHHWDCHKNISHLG-GXFFZTMASA-N 2 3 265.426 1.611 20 0 CDADHP C[C@H]1CC[C@H](CNC2CCC3(C[NH2+]C3)CC2)[NH2+]C1 ZINC001246102391 931012203 /nfs/dbraw/zinc/01/22/03/931012203.db2.gz DOWQSUOPGQWEEY-GXTWGEPZSA-N 2 3 251.418 1.496 20 0 CDADHP CCN1CCC[C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC001118120201 937594077 /nfs/dbraw/zinc/59/40/77/937594077.db2.gz VBUIGGGKUFRNKM-RBSFLKMASA-N 2 3 253.434 1.696 20 0 CDADHP C(CN1CCC([C@H]2CCC[NH2+]2)CC1)[C@H]1CCCC[NH2+]1 ZINC001235883206 944310358 /nfs/dbraw/zinc/31/03/58/944310358.db2.gz AASNYLNNWLQYLI-HZPDHXFCSA-N 2 3 265.445 1.983 20 0 CDADHP [NH3+]CCCC[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236373214 944485565 /nfs/dbraw/zinc/48/55/65/944485565.db2.gz UWDITNIXUJLUQR-CQSZACIVSA-N 2 3 253.434 1.970 20 0 CDADHP [NH3+]CCCC[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236373214 944485567 /nfs/dbraw/zinc/48/55/67/944485567.db2.gz UWDITNIXUJLUQR-CQSZACIVSA-N 2 3 253.434 1.970 20 0 CDADHP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC001246116821 947967815 /nfs/dbraw/zinc/96/78/15/947967815.db2.gz XFKAFEQHKWBTLS-YZDRTPDPSA-N 2 3 265.445 1.837 20 0 CDADHP C1[NH2+]CC12CCOC[C@@H]2NC1CCC2(CC[NH2+]CC2)CC1 ZINC001246137930 947981817 /nfs/dbraw/zinc/98/18/17/947981817.db2.gz KJVNYZBCGCHMQA-HNNXBMFYSA-N 2 3 293.455 1.267 20 0 CDADHP C1NCC12CCOC[C@@H]2[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246137930 947981821 /nfs/dbraw/zinc/98/18/21/947981821.db2.gz KJVNYZBCGCHMQA-HNNXBMFYSA-N 2 3 293.455 1.267 20 0 CDADHP CCCC[C@@H]1C[C@H](NC[C@@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CC[NH2+]1 ZINC001246137527 947983067 /nfs/dbraw/zinc/98/30/67/947983067.db2.gz ZGDPFSMYQNPHLL-SUJAAXHWSA-N 2 3 281.444 1.264 20 0 CDADHP CC[C@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CCN1 ZINC001246147176 947988476 /nfs/dbraw/zinc/98/84/76/947988476.db2.gz LTWLKUVHUGLZCB-LJIZCISZSA-N 2 3 265.445 1.742 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC3(CC[NH2+]CC3)C2)CCN1 ZINC001246256702 948059849 /nfs/dbraw/zinc/05/98/49/948059849.db2.gz PSNKSUHUJLUBQZ-HZSPNIEDSA-N 2 3 267.417 1.018 20 0 CDADHP C[C@@H]1C[C@H]([NH2+]CC2(CC3CC3)CC[NH2+]CC2)CCN1 ZINC001246386640 948148670 /nfs/dbraw/zinc/14/86/70/948148670.db2.gz SCDRDKQXIWKUOQ-UKRRQHHQSA-N 2 3 265.445 1.886 20 0 CDADHP CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@](C)([NH3+])CC1)C2 ZINC001246552912 948258459 /nfs/dbraw/zinc/25/84/59/948258459.db2.gz QCHYLSULPDVOIL-LXTVHRRPSA-N 2 3 251.418 1.815 20 0 CDADHP CN1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@](C)([NH3+])CC1)C2 ZINC001246552912 948258465 /nfs/dbraw/zinc/25/84/65/948258465.db2.gz QCHYLSULPDVOIL-LXTVHRRPSA-N 2 3 251.418 1.815 20 0 CDADHP C[C@@H]1C[N@@H+]([C@@H]2CCNC3(CCC3)C2)CCC[C@@H]1C[NH3+] ZINC001246567944 948286666 /nfs/dbraw/zinc/28/66/66/948286666.db2.gz NFEHBWIAQYXOBJ-RBSFLKMASA-N 2 3 265.445 1.968 20 0 CDADHP C[C@@H]1C[N@H+]([C@@H]2CCNC3(CCC3)C2)CCC[C@@H]1C[NH3+] ZINC001246567944 948286672 /nfs/dbraw/zinc/28/66/72/948286672.db2.gz NFEHBWIAQYXOBJ-RBSFLKMASA-N 2 3 265.445 1.968 20 0 CDADHP C[C@@H]1[C@H](CN)CCC[N@@H+]1[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246566660 948287411 /nfs/dbraw/zinc/28/74/11/948287411.db2.gz TYKXOPMMXKBFQF-QKPAOTATSA-N 2 3 265.445 1.968 20 0 CDADHP C[C@@H]1[C@H](CN)CCC[N@H+]1[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246566660 948287421 /nfs/dbraw/zinc/28/74/21/948287421.db2.gz TYKXOPMMXKBFQF-QKPAOTATSA-N 2 3 265.445 1.968 20 0 CDADHP CC[C@@H]1C[C@H]([N@@H+]2CCC[C@@](C)(C[NH3+])CC2)CCN1 ZINC001246576832 948301913 /nfs/dbraw/zinc/30/19/13/948301913.db2.gz MZHHZAWXOJZLNQ-RBSFLKMASA-N 2 3 253.434 1.968 20 0 CDADHP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CCN1 ZINC001246576832 948301918 /nfs/dbraw/zinc/30/19/18/948301918.db2.gz MZHHZAWXOJZLNQ-RBSFLKMASA-N 2 3 253.434 1.968 20 0 CDADHP CCOC(=O)C1([C@@H](C)N[C@@H]2CCC[NH2+]CC2)CC[NH2+]CC1 ZINC000591578350 342637848 /nfs/dbraw/zinc/63/78/48/342637848.db2.gz ULWOPKAMPLQZBT-ZIAGYGMSSA-N 2 3 297.443 1.040 20 0 CDADHP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCCNCC2)CC[NH2+]CC1 ZINC000591578350 342637849 /nfs/dbraw/zinc/63/78/49/342637849.db2.gz ULWOPKAMPLQZBT-ZIAGYGMSSA-N 2 3 297.443 1.040 20 0 CDADHP C(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)CN1CCCC1 ZINC000401051720 482531031 /nfs/dbraw/zinc/53/10/31/482531031.db2.gz YMNIRMXBXKJIBE-QLFBSQMISA-N 2 3 251.418 1.450 20 0 CDADHP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)C1CNC1 ZINC000422881087 245366201 /nfs/dbraw/zinc/36/62/01/245366201.db2.gz NLMYREZAQKFGOQ-KBPBESRZSA-N 2 3 253.434 1.696 20 0 CDADHP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1CNC1 ZINC000422881087 245366206 /nfs/dbraw/zinc/36/62/06/245366206.db2.gz NLMYREZAQKFGOQ-KBPBESRZSA-N 2 3 253.434 1.696 20 0 CDADHP C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000422905624 245390096 /nfs/dbraw/zinc/39/00/96/245390096.db2.gz ZKJMMJFLGOKHLN-ZIAGYGMSSA-N 2 3 279.428 1.842 20 0 CDADHP C(CN1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC000334991313 391993191 /nfs/dbraw/zinc/99/31/91/391993191.db2.gz DCENOQRPBIMODP-LSDHHAIUSA-N 2 3 251.418 1.452 20 0 CDADHP C(CN1CCC[C@H]([NH+]2CCCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000420320901 397696020 /nfs/dbraw/zinc/69/60/20/397696020.db2.gz QSRQTZCRBHXSTR-CVEARBPZSA-N 2 3 265.445 1.936 20 0 CDADHP C(CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000420405482 397702786 /nfs/dbraw/zinc/70/27/86/397702786.db2.gz SXANXVCIQUZWRW-ZNMIVQPWSA-N 2 3 251.418 1.450 20 0 CDADHP CC[NH+](CC)CCOCCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000349724464 154197565 /nfs/dbraw/zinc/19/75/65/154197565.db2.gz UNCSUOIROFSILM-CABCVRRESA-N 2 3 271.449 1.417 20 0 CDADHP CC[NH+](CC)CCOCCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000349724464 154197567 /nfs/dbraw/zinc/19/75/67/154197567.db2.gz UNCSUOIROFSILM-CABCVRRESA-N 2 3 271.449 1.417 20 0 CDADHP C[C@@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)[C@@H]1CCC[NH3+] ZINC000662313111 423948859 /nfs/dbraw/zinc/94/88/59/423948859.db2.gz JTTUWHZUZSJHJG-RBSFLKMASA-N 2 3 281.444 1.347 20 0 CDADHP C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)[C@@H]1CCC[NH3+] ZINC000662313111 423948868 /nfs/dbraw/zinc/94/88/68/423948868.db2.gz JTTUWHZUZSJHJG-RBSFLKMASA-N 2 3 281.444 1.347 20 0 CDADHP COCC1(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC[NH2+]CC1 ZINC000423409161 277199510 /nfs/dbraw/zinc/19/95/10/277199510.db2.gz PSRGHSBDXVBQSF-HZPDHXFCSA-N 2 3 289.423 1.737 20 0 CDADHP CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422835870 289303193 /nfs/dbraw/zinc/30/31/93/289303193.db2.gz JHFRBVRAHOSQKQ-NEXFUWMNSA-N 2 3 253.434 1.966 20 0 CDADHP C[C@@H]1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1C[NH3+] ZINC000903757729 626088088 /nfs/dbraw/zinc/08/80/88/626088088.db2.gz GPELQEDUZYOJHF-KFWWJZLASA-N 2 3 281.444 1.062 20 0 CDADHP NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260525 712760048 /nfs/dbraw/zinc/76/00/48/712760048.db2.gz CHVNNDAIWDJNKM-RMEBNNNOSA-N 2 3 251.418 1.624 20 0 CDADHP N[C@@H](CCC[NH3+])Nc1ccc2c(c1)C1(CC2)CC[NH2+]CC1 ZINC001170900472 930701122 /nfs/dbraw/zinc/70/11/22/930701122.db2.gz ULCPBGPJPPMLEZ-MRXNPFEDSA-N 2 3 288.439 1.690 20 0 CDADHP CC[C@@]1(CNC2CCC3(CC2)C[NH2+]CCO3)CCC[NH2+]1 ZINC001246455889 931499233 /nfs/dbraw/zinc/49/92/33/931499233.db2.gz KVPBCIXXQRHVCD-PCKAHOCUSA-N 2 3 281.444 1.409 20 0 CDADHP [NH3+]C[C@@]1(F)CCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246553348 931744858 /nfs/dbraw/zinc/74/48/58/931744858.db2.gz XZPDHMCCOMMCJA-QNMSZWNNSA-N 2 3 255.381 1.422 20 0 CDADHP C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001205064145 939818829 /nfs/dbraw/zinc/81/88/29/939818829.db2.gz JRMOANQCUIPUMQ-LRDDRELGSA-N 2 3 259.397 1.644 20 0 CDADHP C[C@H]1CC[C@@H](CN)[N@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001205064145 939818831 /nfs/dbraw/zinc/81/88/31/939818831.db2.gz JRMOANQCUIPUMQ-LRDDRELGSA-N 2 3 259.397 1.644 20 0 CDADHP CC[NH+]1CCC(C[NH+](CCN(C)C)CCN(C)C)CC1 ZINC001208600875 940348109 /nfs/dbraw/zinc/34/81/09/940348109.db2.gz YSXZVZKCDALIBE-UHFFFAOYSA-N 2 3 284.492 1.144 20 0 CDADHP C(C[N@H+](C[C@H]1CCCNC1)C1CCCC1)C1C[NH2+]C1 ZINC001236371761 944486595 /nfs/dbraw/zinc/48/65/95/944486595.db2.gz MXOGOUJKLPTLOD-HNNXBMFYSA-N 2 3 265.445 1.840 20 0 CDADHP C(C[N@@H+](C[C@H]1CCCNC1)C1CCCC1)C1C[NH2+]C1 ZINC001236371761 944486597 /nfs/dbraw/zinc/48/65/97/944486597.db2.gz MXOGOUJKLPTLOD-HNNXBMFYSA-N 2 3 265.445 1.840 20 0 CDADHP C[C@H]1C[NH2+]C[C@@H](C[NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001246101377 947951869 /nfs/dbraw/zinc/95/18/69/947951869.db2.gz PPJMDRZQWXEEMA-XNIRIUNOSA-N 2 3 295.471 1.465 20 0 CDADHP CCOC(=O)C[C@@H]([NH2+][C@H]1CCCCNC1)C1CC[NH2+]CC1 ZINC001246229919 948042875 /nfs/dbraw/zinc/04/28/75/948042875.db2.gz QAUZJRNJSWCBNX-LSDHHAIUSA-N 2 3 297.443 1.040 20 0 CDADHP CC(C)(C)[C@H]1C[C@@H](N2CCC(C[NH3+])CC2)CC[NH2+]1 ZINC001246540801 948243343 /nfs/dbraw/zinc/24/33/43/948243343.db2.gz WZDQTLRRWZVASQ-UONOGXRCSA-N 2 3 253.434 1.824 20 0 CDADHP N[C@@H]1CCC[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246549437 948256888 /nfs/dbraw/zinc/25/68/88/948256888.db2.gz XDMISUFXPBRYOX-ZIAGYGMSSA-N 2 3 251.418 1.722 20 0 CDADHP N[C@@H]1CCC[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246549437 948256896 /nfs/dbraw/zinc/25/68/96/948256896.db2.gz XDMISUFXPBRYOX-ZIAGYGMSSA-N 2 3 251.418 1.722 20 0 CDADHP C[C@@H]1C[N@@H+]([C@H]2CCNC(C)(C)C2)CCC[C@@H]1C[NH3+] ZINC001246571655 948291455 /nfs/dbraw/zinc/29/14/55/948291455.db2.gz WRAKUBKWPNVVEG-MCIONIFRSA-N 2 3 253.434 1.824 20 0 CDADHP C[C@@H]1C[N@H+]([C@H]2CCNC(C)(C)C2)CCC[C@@H]1C[NH3+] ZINC001246571655 948291461 /nfs/dbraw/zinc/29/14/61/948291461.db2.gz WRAKUBKWPNVVEG-MCIONIFRSA-N 2 3 253.434 1.824 20 0 CDADHP NC[C@@H]1CCCC[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246591931 948326763 /nfs/dbraw/zinc/32/67/63/948326763.db2.gz JWWDFKMBINKXDV-GJZGRUSLSA-N 2 3 265.445 1.970 20 0 CDADHP NC[C@@H]1CCCC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246591931 948326772 /nfs/dbraw/zinc/32/67/72/948326772.db2.gz JWWDFKMBINKXDV-GJZGRUSLSA-N 2 3 265.445 1.970 20 0 CDADHP CC(C)(C)N1CCC([NH2+]CC2CC[NH+](CCO)CC2)CC1 ZINC001256561835 948344613 /nfs/dbraw/zinc/34/46/13/948344613.db2.gz HLQGUCANMCXALD-UHFFFAOYSA-N 2 3 297.487 1.543 20 0 CDADHP C1CN([C@H]2CCC[C@]3(CC[NH2+]C3)C2)[C@]2(C1)CC[NH2+]C2 ZINC001246647120 948384604 /nfs/dbraw/zinc/38/46/04/948384604.db2.gz HUSMPXOPHCSDSX-HRCADAONSA-N 2 3 263.429 1.737 20 0 CDADHP C1[NH2+]CC12CCC(N1CCOC[C@@]3(CCC[NH2+]C3)C1)CC2 ZINC001246648675 948385650 /nfs/dbraw/zinc/38/56/50/948385650.db2.gz ZRJJJXUXSKTAGC-QGZVFWFLSA-N 2 3 293.455 1.221 20 0 CDADHP C1[NH2+]CC12CCC([N@@H+]1CCOC[C@@]3(CCCNC3)C1)CC2 ZINC001246648675 948385659 /nfs/dbraw/zinc/38/56/59/948385659.db2.gz ZRJJJXUXSKTAGC-QGZVFWFLSA-N 2 3 293.455 1.221 20 0 CDADHP C1[NH2+]CC12CCC([N@H+]1CCOC[C@@]3(CCCNC3)C1)CC2 ZINC001246648675 948385670 /nfs/dbraw/zinc/38/56/70/948385670.db2.gz ZRJJJXUXSKTAGC-QGZVFWFLSA-N 2 3 293.455 1.221 20 0 CDADHP F[C@@H]1CCNC[C@]12CC[N@@H+]([C@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246695852 948406394 /nfs/dbraw/zinc/40/63/94/948406394.db2.gz SVZJMCWUFBUYFR-YVSFHVDLSA-N 2 3 295.446 1.932 20 0 CDADHP F[C@@H]1CCNC[C@]12CC[N@H+]([C@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246695852 948406399 /nfs/dbraw/zinc/40/63/99/948406399.db2.gz SVZJMCWUFBUYFR-YVSFHVDLSA-N 2 3 295.446 1.932 20 0 CDADHP CC[NH+]1CCC(C[NH2+]C[C@H](O)CNC(C)(C)C)CC1 ZINC001253405426 951889977 /nfs/dbraw/zinc/88/99/77/951889977.db2.gz ZPBPYOZYGMKSOY-AWEZNQCLSA-N 2 3 271.449 1.057 20 0 CDADHP N[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC001552376851 964210768 /nfs/dbraw/zinc/21/07/68/964210768.db2.gz VZEZQKQLZJGNTK-HOTGVXAUSA-N 2 3 259.397 1.692 20 0 CDADHP [NH3+]Cc1ccc(CN2C[C@@H]3CCC[C@@]3(C[NH3+])C2)cc1 ZINC001550705387 966161780 /nfs/dbraw/zinc/16/17/80/966161780.db2.gz WJAIYGODAZSHMZ-JKSUJKDBSA-N 2 3 259.397 1.706 20 0 CDADHP CCCN(C)C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178982179 283061592 /nfs/dbraw/zinc/06/15/92/283061592.db2.gz QMKXFALKAILDSN-HNNXBMFYSA-N 2 3 253.434 1.650 20 0 CDADHP CCCN(C)C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178982179 283061596 /nfs/dbraw/zinc/06/15/96/283061596.db2.gz QMKXFALKAILDSN-HNNXBMFYSA-N 2 3 253.434 1.650 20 0 CDADHP C[C@@H]1C[C@H](C)[N@H+](CCC2CC[NH2+]CC2)C[C@H]1CN ZINC000422635500 359649173 /nfs/dbraw/zinc/64/91/73/359649173.db2.gz LJLQREOWMVIJKR-VNHYZAJKSA-N 2 3 253.434 1.681 20 0 CDADHP C[C@@H]1C[C@H](C)[N@@H+](CCC2CC[NH2+]CC2)C[C@H]1CN ZINC000422635500 359649176 /nfs/dbraw/zinc/64/91/76/359649176.db2.gz LJLQREOWMVIJKR-VNHYZAJKSA-N 2 3 253.434 1.681 20 0 CDADHP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCC[C@@H](N)C2)CC[NH2+]CC1 ZINC000423362861 359770368 /nfs/dbraw/zinc/77/03/68/359770368.db2.gz ILCUOHVADVBXPA-MJBXVCDLSA-N 2 3 297.443 1.167 20 0 CDADHP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC12CC[NH2+]CC2 ZINC000643536647 361213927 /nfs/dbraw/zinc/21/39/27/361213927.db2.gz UAMPHIATTIRWFJ-BPUTZDHNSA-N 2 3 273.424 1.677 20 0 CDADHP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1CCCNC1 ZINC000414878312 368639385 /nfs/dbraw/zinc/63/93/85/368639385.db2.gz ZFBSXAXVSYVADR-DYALKNRASA-N 2 3 251.418 1.482 20 0 CDADHP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)C2CNC2)CC1 ZINC000422835815 245315654 /nfs/dbraw/zinc/31/56/54/245315654.db2.gz JDGVGPLFHORFAM-CQSZACIVSA-N 2 3 267.461 1.942 20 0 CDADHP C[C@]1(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC[NH2+]C1 ZINC000647543889 390987570 /nfs/dbraw/zinc/98/75/70/390987570.db2.gz UDMSWPMNDKRKIH-JYJNAYRXSA-N 2 3 265.445 1.698 20 0 CDADHP C1CC2(C1)C[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CCN2 ZINC000647547722 390993878 /nfs/dbraw/zinc/99/38/78/390993878.db2.gz ACYAXLJOOPMTNE-BYNSBNAKSA-N 2 3 263.429 1.639 20 0 CDADHP C[C@H]([NH3+])C[C@H](C)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000423038752 392292438 /nfs/dbraw/zinc/29/24/38/392292438.db2.gz ZIHBDBRQQZCXAY-ZQIUZPCESA-N 2 3 291.439 1.469 20 0 CDADHP C[C@H]([NH3+])C[C@H](C)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000423038752 392292444 /nfs/dbraw/zinc/29/24/44/392292444.db2.gz ZIHBDBRQQZCXAY-ZQIUZPCESA-N 2 3 291.439 1.469 20 0 CDADHP C(CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000420398562 397702619 /nfs/dbraw/zinc/70/26/19/397702619.db2.gz NGMKFPWLEJJBHY-ARFHVFGLSA-N 2 3 265.445 1.840 20 0 CDADHP [NH3+][C@H]1CCC[C@@H](NCc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000656786571 413663848 /nfs/dbraw/zinc/66/38/48/413663848.db2.gz NPVPXKNAEGRGBS-JKSUJKDBSA-N 2 3 259.397 1.692 20 0 CDADHP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCC1=CC[NH2+]CC1 ZINC000423340628 304858740 /nfs/dbraw/zinc/85/87/40/304858740.db2.gz BYXNQJDBFCAKOM-AEFFLSMTSA-N 2 3 299.418 1.752 20 0 CDADHP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1(C)CC[NH+](C)CC1 ZINC000226365667 1159870589 /nfs/dbraw/zinc/87/05/89/1159870589.db2.gz WQRKCWSHQJNFQT-GOOCMWNKSA-N 2 3 265.445 1.933 20 0 CDADHP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CC1CC[NH+](C)CC1 ZINC000892232688 617567278 /nfs/dbraw/zinc/56/72/78/617567278.db2.gz AOSPFFZHACMOPB-BRWVUGGUSA-N 2 3 295.471 1.512 20 0 CDADHP CN(C[C@@H]1CC2(CO1)CC[NH2+]CC2)CC(C)(C)C[NH3+] ZINC000903717513 626062294 /nfs/dbraw/zinc/06/22/94/626062294.db2.gz QWPWRGBAJCMJCR-ZDUSSCGKSA-N 2 3 269.433 1.062 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C[C@@H]3CCCC[NH2+]C3)C2)C1 ZINC000903763492 626082848 /nfs/dbraw/zinc/08/28/48/626082848.db2.gz KSANKUVJECXPRG-TWMKSMIVSA-N 2 3 295.471 1.594 20 0 CDADHP C[NH2+]CC1CCN(Cc2ccc(N3CC[NH2+]CC3)o2)CC1 ZINC000904299751 626242099 /nfs/dbraw/zinc/24/20/99/626242099.db2.gz NKQJIKWNVARYHV-UHFFFAOYSA-N 2 3 292.427 1.121 20 0 CDADHP C[C@]1(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CCC[NH2+]C1 ZINC000904373126 626269354 /nfs/dbraw/zinc/26/93/54/626269354.db2.gz BBWCWKXSVGHOPL-NXOAAHMSSA-N 2 3 295.471 1.594 20 0 CDADHP C[C@@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1[NH3+] ZINC000923292533 923717379 /nfs/dbraw/zinc/71/73/79/923717379.db2.gz ZAEDJUQRULQAIJ-OIYCOIKZSA-N 2 3 251.418 1.576 20 0 CDADHP CC1(C)C[C@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCN1 ZINC001246934294 932501614 /nfs/dbraw/zinc/50/16/14/932501614.db2.gz UBJHTBFUKUNOPE-HZSPNIEDSA-N 2 3 251.418 1.448 20 0 CDADHP CC1(C)C[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCN1 ZINC001246934294 932501620 /nfs/dbraw/zinc/50/16/20/932501620.db2.gz UBJHTBFUKUNOPE-HZSPNIEDSA-N 2 3 251.418 1.448 20 0 CDADHP [NH3+]CCC[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccccc1 ZINC000925613925 932914523 /nfs/dbraw/zinc/91/45/23/932914523.db2.gz VALRVMWRAWKRKQ-SJORKVTESA-N 2 3 291.439 1.513 20 0 CDADHP C[C@@H]1[C@@H](C[NH3+])CCCN1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001205902096 939953275 /nfs/dbraw/zinc/95/32/75/939953275.db2.gz HZXUFCAMTYEJDS-CZUORRHYSA-N 2 3 273.424 1.892 20 0 CDADHP C[C@@H]1CC[N@H+](CC2CC3(C2)CC[NH2+]CC3)C[C@H]1N ZINC001206036828 939970096 /nfs/dbraw/zinc/97/00/96/939970096.db2.gz REDRAMCNVIZUPY-TZMCWYRMSA-N 2 3 251.418 1.435 20 0 CDADHP C[C@@H]1CC[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C[C@H]1N ZINC001206036828 939970097 /nfs/dbraw/zinc/97/00/97/939970097.db2.gz REDRAMCNVIZUPY-TZMCWYRMSA-N 2 3 251.418 1.435 20 0 CDADHP C[C@@H]1C[NH2+]CCN(CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001206269777 940008829 /nfs/dbraw/zinc/00/88/29/940008829.db2.gz WBPFJDIHIIWTPX-CYBMUJFWSA-N 2 3 251.418 1.308 20 0 CDADHP CC(C)N(C(=O)[C@@H](N)CCCC[NH+](C)C)C(C)(C)C[NH3+] ZINC001221394392 941529307 /nfs/dbraw/zinc/52/93/07/941529307.db2.gz PBRQAMUJWHATEV-ZDUSSCGKSA-N 2 3 286.464 1.020 20 0 CDADHP C(C1CC2(C1)CC[NH2+]CC2)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222615763 941620268 /nfs/dbraw/zinc/62/02/68/941620268.db2.gz SFXYRRCCMLSGDE-LSDHHAIUSA-N 2 3 263.429 1.450 20 0 CDADHP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222615763 941620269 /nfs/dbraw/zinc/62/02/69/941620269.db2.gz SFXYRRCCMLSGDE-LSDHHAIUSA-N 2 3 263.429 1.450 20 0 CDADHP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc2c[nH]ccc-2n1 ZINC001232013749 943096539 /nfs/dbraw/zinc/09/65/39/943096539.db2.gz DVYDSXGEQVRFSG-UHFFFAOYSA-N 2 3 289.427 1.488 20 0 CDADHP C(C[N@@H+]1CCCC[C@@]12CCCNC2)[C@@H]1CCC[NH2+]C1 ZINC001235171576 944078007 /nfs/dbraw/zinc/07/80/07/944078007.db2.gz KARKACSFUMMUGT-HOTGVXAUSA-N 2 3 265.445 1.984 20 0 CDADHP C(C[N@H+]1CCCC[C@@]12CCCNC2)[C@@H]1CCC[NH2+]C1 ZINC001235171576 944078013 /nfs/dbraw/zinc/07/80/13/944078013.db2.gz KARKACSFUMMUGT-HOTGVXAUSA-N 2 3 265.445 1.984 20 0 CDADHP C[C@@H]1CC[C@@H](C[NH2+]C2CCC(N3CCOCC3)CC2)C[NH2+]1 ZINC001246095482 947948019 /nfs/dbraw/zinc/94/80/19/947948019.db2.gz KFLVGCNQLQSQFJ-NUWOQIAWSA-N 2 3 295.471 1.608 20 0 CDADHP C[C@@H]1C[NH2+]CCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246097734 947949812 /nfs/dbraw/zinc/94/98/12/947949812.db2.gz OBZFPAPHXCEPGA-DGXTUMSLSA-N 2 3 265.445 1.885 20 0 CDADHP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001246116512 947966827 /nfs/dbraw/zinc/96/68/27/947966827.db2.gz WIRSXLFNGKATAL-XNIRIUNOSA-N 2 3 295.471 1.465 20 0 CDADHP C[C@@H]1CNCC[C@@H]1[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246209679 948028541 /nfs/dbraw/zinc/02/85/41/948028541.db2.gz IHVPMERDACCSRE-CIDNJEQPSA-N 2 3 265.445 1.886 20 0 CDADHP CC1(C)C[C@@H]([NH2+]C2CCNCC2)C[C@](C)(C[NH3+])C1 ZINC001246245245 948051565 /nfs/dbraw/zinc/05/15/65/948051565.db2.gz QAJFQWDJJLVTNT-HIFRSBDPSA-N 2 3 253.434 1.872 20 0 CDADHP CCC[NH2+]CCNC1CCC2(CC[NH2+]CC2)CC1 ZINC001246266521 948066741 /nfs/dbraw/zinc/06/67/41/948066741.db2.gz CJSROUHIBUNDOK-UHFFFAOYSA-N 2 3 253.434 1.888 20 0 CDADHP C[C@@H]1CC[C@H](NCC2(CC3CC3)CC[NH2+]CC2)C[NH2+]1 ZINC001246383716 948145876 /nfs/dbraw/zinc/14/58/76/948145876.db2.gz ILUHNCDRAYZDMC-HIFRSBDPSA-N 2 3 265.445 1.886 20 0 CDADHP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CCN1 ZINC001246679694 948402621 /nfs/dbraw/zinc/40/26/21/948402621.db2.gz ZLTIDLJBIVNCKP-LVQVYYBASA-N 2 3 265.445 1.839 20 0 CDADHP C[C@@H]1C[C@H]([N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CCN1 ZINC001246679694 948402626 /nfs/dbraw/zinc/40/26/26/948402626.db2.gz ZLTIDLJBIVNCKP-LVQVYYBASA-N 2 3 265.445 1.839 20 0 CDADHP C1CC2(C[C@H]1[N@@H+]1C[C@H]3CC[C@@H](C1)NC3)CC[NH2+]CC2 ZINC001246861235 948487253 /nfs/dbraw/zinc/48/72/53/948487253.db2.gz APSXPAJXYJVWNN-KKUMJFAQSA-N 2 3 263.429 1.593 20 0 CDADHP C1CC2(C[C@H]1[N@H+]1C[C@H]3CC[C@@H](C1)NC3)CC[NH2+]CC2 ZINC001246861235 948487265 /nfs/dbraw/zinc/48/72/65/948487265.db2.gz APSXPAJXYJVWNN-KKUMJFAQSA-N 2 3 263.429 1.593 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H]1CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001550349420 965870060 /nfs/dbraw/zinc/87/00/60/965870060.db2.gz OJZGVTURDIQHOI-DGADGQDISA-N 2 3 281.444 1.060 20 0 CDADHP NC[C@]12CCC[C@@H]1C[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC001549116360 968029058 /nfs/dbraw/zinc/02/90/58/968029058.db2.gz NBMIRCGFPODWGA-KFWWJZLASA-N 2 3 251.418 1.437 20 0 CDADHP NC[C@]12CCC[C@@H]1C[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC001549116360 968029063 /nfs/dbraw/zinc/02/90/63/968029063.db2.gz NBMIRCGFPODWGA-KFWWJZLASA-N 2 3 251.418 1.437 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C[C@H]2CCC[NH2+]C2)C1 ZINC000650723921 398162823 /nfs/dbraw/zinc/16/28/23/398162823.db2.gz VVWKQQICGYAYLW-JJXSEGSLSA-N 2 3 281.444 1.347 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2C[C@H]2CCCNC2)C1 ZINC000650723921 398162824 /nfs/dbraw/zinc/16/28/24/398162824.db2.gz VVWKQQICGYAYLW-JJXSEGSLSA-N 2 3 281.444 1.347 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C[C@H]2CCCNC2)C1 ZINC000650723921 398162825 /nfs/dbraw/zinc/16/28/25/398162825.db2.gz VVWKQQICGYAYLW-JJXSEGSLSA-N 2 3 281.444 1.347 20 0 CDADHP C[C@@H]1C[C@@H](CN2CCC([NH2+]CC3CC3)CC2)CC[NH2+]1 ZINC000414658661 241306225 /nfs/dbraw/zinc/30/62/25/241306225.db2.gz LRXUOZDBFGAMGR-HIFRSBDPSA-N 2 3 265.445 1.839 20 0 CDADHP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000422746545 245206630 /nfs/dbraw/zinc/20/66/30/245206630.db2.gz WUZOTQBEPWUGKM-IRXDYDNUSA-N 2 3 296.503 1.367 20 0 CDADHP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)C1CNC1 ZINC000422881073 245366002 /nfs/dbraw/zinc/36/60/02/245366002.db2.gz NKDONJFUDHWTPJ-KBPBESRZSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CNC1 ZINC000422881073 245366010 /nfs/dbraw/zinc/36/60/10/245366010.db2.gz NKDONJFUDHWTPJ-KBPBESRZSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@@H](N)[C@H]1COCC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000422883735 245369097 /nfs/dbraw/zinc/36/90/97/245369097.db2.gz QYVMOCRUDZQXDX-QBPKDAKJSA-N 2 3 297.487 1.840 20 0 CDADHP C[C@@H](N)[C@H]1COCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000422883735 245369100 /nfs/dbraw/zinc/36/91/00/245369100.db2.gz QYVMOCRUDZQXDX-QBPKDAKJSA-N 2 3 297.487 1.840 20 0 CDADHP CCN(C)C[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359219614 284347465 /nfs/dbraw/zinc/34/74/65/284347465.db2.gz VMXDFRAKIIZLIH-HNNXBMFYSA-N 2 3 253.434 1.650 20 0 CDADHP CCN(C)C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359219614 284347467 /nfs/dbraw/zinc/34/74/67/284347467.db2.gz VMXDFRAKIIZLIH-HNNXBMFYSA-N 2 3 253.434 1.650 20 0 CDADHP CC[N@H+](C)C[C@@H]1CCN(CCC2CC[NH2+]CC2)C1 ZINC000359219614 284347468 /nfs/dbraw/zinc/34/74/68/284347468.db2.gz VMXDFRAKIIZLIH-HNNXBMFYSA-N 2 3 253.434 1.650 20 0 CDADHP CC[N@@H+](C)C[C@@H]1CCN(CCC2CC[NH2+]CC2)C1 ZINC000359219614 284347470 /nfs/dbraw/zinc/34/74/70/284347470.db2.gz VMXDFRAKIIZLIH-HNNXBMFYSA-N 2 3 253.434 1.650 20 0 CDADHP CC(C)N1CCN(CCC[NH+]2CCC(C[NH3+])CC2)CC1 ZINC000581667359 373175495 /nfs/dbraw/zinc/17/54/95/373175495.db2.gz IEITWQCSGQZRMY-UHFFFAOYSA-N 2 3 282.476 1.073 20 0 CDADHP CC1([NH+]2CCCC2)CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000631836855 373750656 /nfs/dbraw/zinc/75/06/56/373750656.db2.gz HZTVDTXNDNOSRL-HNNXBMFYSA-N 2 3 265.445 1.936 20 0 CDADHP CC[C@@H]1CN(CCCC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647934675 391378659 /nfs/dbraw/zinc/37/86/59/391378659.db2.gz MCRBNLTXWBFXGB-HUUCEWRRSA-N 2 3 253.434 1.825 20 0 CDADHP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc2c1CNC2 ZINC000647799919 391662919 /nfs/dbraw/zinc/66/29/19/391662919.db2.gz UEVQADDMCTVUOD-HYVNUMGLSA-N 2 3 271.408 1.768 20 0 CDADHP C[N@H+](CCCC[NH2+][C@@H]1CCCC[C@H]1CN)C1CC1 ZINC000423158462 392396913 /nfs/dbraw/zinc/39/69/13/392396913.db2.gz CRLMDSOSHVQGIS-DZGCQCFKSA-N 2 3 253.434 1.968 20 0 CDADHP C[N@@H+](CCCC[NH2+][C@@H]1CCCC[C@H]1CN)C1CC1 ZINC000423158462 392396918 /nfs/dbraw/zinc/39/69/18/392396918.db2.gz CRLMDSOSHVQGIS-DZGCQCFKSA-N 2 3 253.434 1.968 20 0 CDADHP C(CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000420405481 397702556 /nfs/dbraw/zinc/70/25/56/397702556.db2.gz SXANXVCIQUZWRW-SOUVJXGZSA-N 2 3 251.418 1.450 20 0 CDADHP C[C@@H](N)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000564578712 293375503 /nfs/dbraw/zinc/37/55/03/293375503.db2.gz YJKLLFJWMPCDPI-OAHLLOKOSA-N 2 3 296.503 1.462 20 0 CDADHP C[C@@H](N)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000564578712 293375504 /nfs/dbraw/zinc/37/55/04/293375504.db2.gz YJKLLFJWMPCDPI-OAHLLOKOSA-N 2 3 296.503 1.462 20 0 CDADHP [NH3+]CC[C@H]1CCCCN1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903748847 626071919 /nfs/dbraw/zinc/07/19/19/626071919.db2.gz BPGRAJXFCYFIBD-HUUCEWRRSA-N 2 3 281.444 1.348 20 0 CDADHP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCNCCC12CCC2 ZINC000903783211 626093078 /nfs/dbraw/zinc/09/30/78/626093078.db2.gz WJQPIDQTRCRFBW-OAHLLOKOSA-N 2 3 293.455 1.363 20 0 CDADHP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCNCCC12CCC2 ZINC000903783211 626093079 /nfs/dbraw/zinc/09/30/79/626093079.db2.gz WJQPIDQTRCRFBW-OAHLLOKOSA-N 2 3 293.455 1.363 20 0 CDADHP CCN(C)C[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903898160 626136824 /nfs/dbraw/zinc/13/68/24/626136824.db2.gz LEVLUELOPCSENZ-WZYMTQMTSA-N 2 3 265.445 1.791 20 0 CDADHP CCN(C)C[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903898160 626136827 /nfs/dbraw/zinc/13/68/27/626136827.db2.gz LEVLUELOPCSENZ-WZYMTQMTSA-N 2 3 265.445 1.791 20 0 CDADHP C[C@@H]1CC2(C[N@@H+]1C[C@@]1(C)CCCNC1)CC[NH2+]CC2 ZINC000904374326 626269874 /nfs/dbraw/zinc/26/98/74/626269874.db2.gz PXCUELFRFVDHDK-CABCVRRESA-N 2 3 265.445 1.840 20 0 CDADHP C[C@@H]1CC2(C[N@H+]1C[C@@]1(C)CCCNC1)CC[NH2+]CC2 ZINC000904374326 626269877 /nfs/dbraw/zinc/26/98/77/626269877.db2.gz PXCUELFRFVDHDK-CABCVRRESA-N 2 3 265.445 1.840 20 0 CDADHP CC[C@@H](NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]1 ZINC000873260598 1165531979 /nfs/dbraw/zinc/53/19/79/1165531979.db2.gz DJUBDWBDUYUOSB-KHMAMNHCSA-N 2 3 251.418 1.637 20 0 CDADHP C[C@H]1CCN(Cc2ccc3c(c2)CC[NH2+]C3)C[C@@H]1C[NH3+] ZINC001205303226 919220318 /nfs/dbraw/zinc/22/03/18/919220318.db2.gz BBSJUSXPKMVVAT-GUYCJALGSA-N 2 3 273.424 1.749 20 0 CDADHP CC1(C)CC(N)CC(C)(C)[NH+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246188667 931177345 /nfs/dbraw/zinc/17/73/45/931177345.db2.gz SYGNGCUEAKTLGX-ZDUSSCGKSA-N 2 3 280.460 1.061 20 0 CDADHP N[C@@H]1CCC[N@@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246546709 931679703 /nfs/dbraw/zinc/67/97/03/931679703.db2.gz NJEBJOFBHYXMSU-QLFBSQMISA-N 2 3 251.418 1.722 20 0 CDADHP N[C@@H]1CCC[N@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246546709 931679707 /nfs/dbraw/zinc/67/97/07/931679707.db2.gz NJEBJOFBHYXMSU-QLFBSQMISA-N 2 3 251.418 1.722 20 0 CDADHP C1[NH2+]C[C@H]2C[C@@H]([N@@H+]3CCC[C@]4(CCCNC4)C3)C[C@@H]12 ZINC001246610603 932092618 /nfs/dbraw/zinc/09/26/18/932092618.db2.gz PVJMVYCLXCVSCE-FZKCQIBNSA-N 2 3 263.429 1.450 20 0 CDADHP C1[NH2+]C[C@H]2C[C@@H]([N@H+]3CCC[C@]4(CCCNC4)C3)C[C@@H]12 ZINC001246610603 932092626 /nfs/dbraw/zinc/09/26/26/932092626.db2.gz PVJMVYCLXCVSCE-FZKCQIBNSA-N 2 3 263.429 1.450 20 0 CDADHP C[NH+]1CCC(CCN2CCC([NH+]3CCC3)CC2)CC1 ZINC001207489285 940208060 /nfs/dbraw/zinc/20/80/60/940208060.db2.gz YLQBROZSPHBVMC-UHFFFAOYSA-N 2 3 265.445 1.888 20 0 CDADHP c1cc(C[NH+]2CCC(C3C[NH2+]C3)CC2)cc2c1CNC2 ZINC001235340970 944128307 /nfs/dbraw/zinc/12/83/07/944128307.db2.gz WKHKQUQOUREORU-UHFFFAOYSA-N 2 3 271.408 1.721 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]CC[C@@H]2C)C[C@H](C)N1 ZINC001246112709 947963432 /nfs/dbraw/zinc/96/34/32/947963432.db2.gz RHVOCYQUDCCHIA-RMEBNNNOSA-N 2 3 253.434 1.741 20 0 CDADHP CC[C@@H]1CC(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)C[C@@H](CC)[NH2+]1 ZINC001246153264 947994068 /nfs/dbraw/zinc/99/40/68/947994068.db2.gz YBKKSQCTWXMMDW-ZJPZJRRFSA-N 2 3 295.471 1.510 20 0 CDADHP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[C@@H](C[NH3+])C2)CCN1 ZINC001246458190 948184420 /nfs/dbraw/zinc/18/44/20/948184420.db2.gz TZOHOIHZADPUMA-HZSPNIEDSA-N 2 3 253.434 1.872 20 0 CDADHP C1CC[C@@H](C2CCN(C3CC[NH2+]CC3)CC2)[NH2+]C1 ZINC001246654752 948390583 /nfs/dbraw/zinc/39/05/83/948390583.db2.gz INSUEDIXOFVMHI-HNNXBMFYSA-N 2 3 251.418 1.593 20 0 CDADHP C1CC[C@@H](C2CC[NH+](C3CCNCC3)CC2)[NH2+]C1 ZINC001246654752 948390591 /nfs/dbraw/zinc/39/05/91/948390591.db2.gz INSUEDIXOFVMHI-HNNXBMFYSA-N 2 3 251.418 1.593 20 0 CDADHP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CCN1 ZINC001246679695 948403602 /nfs/dbraw/zinc/40/36/02/948403602.db2.gz ZLTIDLJBIVNCKP-QKPAOTATSA-N 2 3 265.445 1.839 20 0 CDADHP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CCN1 ZINC001246679695 948403603 /nfs/dbraw/zinc/40/36/03/948403603.db2.gz ZLTIDLJBIVNCKP-QKPAOTATSA-N 2 3 265.445 1.839 20 0 CDADHP c1c(CNCC[C@H]2CCC[NH2+]C2)onc1C1CC[NH2+]CC1 ZINC000569478221 358505708 /nfs/dbraw/zinc/50/57/08/358505708.db2.gz NYFPJLFQGPZYTC-CYBMUJFWSA-N 2 3 292.427 1.621 20 0 CDADHP CSC1(CN[C@@H]2C[NH2+]CC[C@H]2C)CC[NH+](C)CC1 ZINC000423123058 359750914 /nfs/dbraw/zinc/75/09/14/359750914.db2.gz LWOKBWDUOHEZKB-CHWSQXEVSA-N 2 3 271.474 1.401 20 0 CDADHP CC(C)[C@@H](CN)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000634996609 360628205 /nfs/dbraw/zinc/62/82/05/360628205.db2.gz PHXIKIMQFNGHQL-CVEARBPZSA-N 2 3 267.461 1.929 20 0 CDADHP CC(C)[C@@H](CN)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000634996609 360628211 /nfs/dbraw/zinc/62/82/11/360628211.db2.gz PHXIKIMQFNGHQL-CVEARBPZSA-N 2 3 267.461 1.929 20 0 CDADHP C[C@@H]1C[C@H](CN2CCC([N@H+](C)CCCO)CC2)CC[NH2+]1 ZINC000414691776 241326608 /nfs/dbraw/zinc/32/66/08/241326608.db2.gz JLVAZDPFJDWBQR-HUUCEWRRSA-N 2 3 283.460 1.153 20 0 CDADHP C[C@@H]1C[C@H](CN2CCC([N@@H+](C)CCCO)CC2)CC[NH2+]1 ZINC000414691776 241326613 /nfs/dbraw/zinc/32/66/13/241326613.db2.gz JLVAZDPFJDWBQR-HUUCEWRRSA-N 2 3 283.460 1.153 20 0 CDADHP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)C1CNC1 ZINC000422716624 296121664 /nfs/dbraw/zinc/12/16/64/296121664.db2.gz NPIAMWLHNFNUCL-CQSZACIVSA-N 2 3 253.434 1.840 20 0 CDADHP COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000420315571 244072923 /nfs/dbraw/zinc/07/29/23/244072923.db2.gz RZWOWLKUGCINIV-HOCLYGCPSA-N 2 3 291.439 1.798 20 0 CDADHP [NH3+][C@@H]1CCO[C@@H](C2CCN(C[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000581548559 373084385 /nfs/dbraw/zinc/08/43/85/373084385.db2.gz MGRYAIVGSXWLKM-FVQBIDKESA-N 2 3 281.444 1.204 20 0 CDADHP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](C[C@@H]3CCCNC3)CC2)C1 ZINC000581548559 373084396 /nfs/dbraw/zinc/08/43/96/373084396.db2.gz MGRYAIVGSXWLKM-FVQBIDKESA-N 2 3 281.444 1.204 20 0 CDADHP C(C[N@@H+]1CC[C@H](CN2CCCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000420320759 376317629 /nfs/dbraw/zinc/31/76/29/376317629.db2.gz QFYUYJCEONKBQP-JKSUJKDBSA-N 2 3 265.445 1.794 20 0 CDADHP C(C[N@H+]1CC[C@H](CN2CCCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000420320759 376317634 /nfs/dbraw/zinc/31/76/34/376317634.db2.gz QFYUYJCEONKBQP-JKSUJKDBSA-N 2 3 265.445 1.794 20 0 CDADHP C(CN1CC[C@H](C[NH+]2CCCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000420320759 376317636 /nfs/dbraw/zinc/31/76/36/376317636.db2.gz QFYUYJCEONKBQP-JKSUJKDBSA-N 2 3 265.445 1.794 20 0 CDADHP CC(C)N1CCC([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000335061482 392075389 /nfs/dbraw/zinc/07/53/89/392075389.db2.gz WKTUAMZKQFCWMX-DZGCQCFKSA-N 2 3 253.434 1.837 20 0 CDADHP C[N@H+](CCCC[NH2+][C@H]1CCCC[C@H]1CN)C1CC1 ZINC000423158465 392398204 /nfs/dbraw/zinc/39/82/04/392398204.db2.gz CRLMDSOSHVQGIS-ZFWWWQNUSA-N 2 3 253.434 1.968 20 0 CDADHP C[N@@H+](CCCC[NH2+][C@H]1CCCC[C@H]1CN)C1CC1 ZINC000423158465 392398209 /nfs/dbraw/zinc/39/82/09/392398209.db2.gz CRLMDSOSHVQGIS-ZFWWWQNUSA-N 2 3 253.434 1.968 20 0 CDADHP C(CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000420398565 397702578 /nfs/dbraw/zinc/70/25/78/397702578.db2.gz NGMKFPWLEJJBHY-HRCADAONSA-N 2 3 265.445 1.840 20 0 CDADHP C([C@@H]1CCCNC1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783587 413652445 /nfs/dbraw/zinc/65/24/45/413652445.db2.gz QTPQPVMLETZPNT-ZBFHGGJFSA-N 2 3 265.445 1.698 20 0 CDADHP C([C@@H]1CCCNC1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783587 413652455 /nfs/dbraw/zinc/65/24/55/413652455.db2.gz QTPQPVMLETZPNT-ZBFHGGJFSA-N 2 3 265.445 1.698 20 0 CDADHP C([NH2+][C@H]1CCC[C@@H]1[C@H]1CCCCN1)C1CC[NH2+]CC1 ZINC000581720342 324821133 /nfs/dbraw/zinc/82/11/33/324821133.db2.gz LIRHBLIMPYQPCL-OAGGEKHMSA-N 2 3 265.445 1.886 20 0 CDADHP NCC[C@H]1CCCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917904 626157440 /nfs/dbraw/zinc/15/74/40/626157440.db2.gz OJCNFPMODMTCJM-JALIKCBVSA-N 2 3 251.418 1.720 20 0 CDADHP NCC[C@H]1CCCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917904 626157441 /nfs/dbraw/zinc/15/74/41/626157441.db2.gz OJCNFPMODMTCJM-JALIKCBVSA-N 2 3 251.418 1.720 20 0 CDADHP C[C@H]1C[C@@H](CN2CCC([NH2+]C3CCOCC3)CC2)CC[NH2+]1 ZINC000903947949 626164094 /nfs/dbraw/zinc/16/40/94/626164094.db2.gz JFALXHKANNIVGX-GJZGRUSLSA-N 2 3 295.471 1.608 20 0 CDADHP CCC[NH+]1CCC(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925494531 678327092 /nfs/dbraw/zinc/32/70/92/678327092.db2.gz KJSLQPQEHIXYFR-VIQHNZTISA-N 2 3 277.456 1.694 20 0 CDADHP C[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCN1c1ccncc1 ZINC000883447411 679377175 /nfs/dbraw/zinc/37/71/75/679377175.db2.gz BFXBDAWDPZYWNE-JKSUJKDBSA-N 2 3 288.439 1.982 20 0 CDADHP C[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCN1c1ccncc1 ZINC000883447411 679377179 /nfs/dbraw/zinc/37/71/79/679377179.db2.gz BFXBDAWDPZYWNE-JKSUJKDBSA-N 2 3 288.439 1.982 20 0 CDADHP C[C@@H]1C[C@@H](NCc2ccc(CC[NH3+])cc2)CC[N@@H+]1C ZINC000817949215 679447536 /nfs/dbraw/zinc/44/75/36/679447536.db2.gz OFGUFHRHDKXDHA-CJNGLKHVSA-N 2 3 261.413 1.760 20 0 CDADHP C[C@@H]1C[C@@H](NCc2ccc(CC[NH3+])cc2)CC[N@H+]1C ZINC000817949215 679447537 /nfs/dbraw/zinc/44/75/37/679447537.db2.gz OFGUFHRHDKXDHA-CJNGLKHVSA-N 2 3 261.413 1.760 20 0 CDADHP CC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CCN1 ZINC001246144400 931099856 /nfs/dbraw/zinc/09/98/56/931099856.db2.gz LTWLKUVHUGLZCB-YXMSTPNBSA-N 2 3 265.445 1.742 20 0 CDADHP [NH3+]C[C@@H]1CN(CCC23CC([NH3+])(C2)C3)CCC1(F)F ZINC001205735265 939929348 /nfs/dbraw/zinc/92/93/48/939929348.db2.gz LZKLJPDEIBHTJB-VOMCLLRMSA-N 2 3 259.344 1.174 20 0 CDADHP C(C1CC2(C1)CC[NH2+]CC2)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234989726 943999001 /nfs/dbraw/zinc/99/90/01/943999001.db2.gz BRDNNYYQRSMEDR-QGZVFWFLSA-N 2 3 277.456 1.842 20 0 CDADHP C[C@]1([NH2+]C2CCC3(CC[NH2+]CC3)CC2)CCNC1 ZINC001246096515 947947283 /nfs/dbraw/zinc/94/72/83/947947283.db2.gz KBFVQLOPZQVZID-AWEZNQCLSA-N 2 3 251.418 1.640 20 0 CDADHP C[C@H]1C[NH2+]C[C@H](C[NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001246101374 947952649 /nfs/dbraw/zinc/95/26/49/947952649.db2.gz PPJMDRZQWXEEMA-NUWOQIAWSA-N 2 3 295.471 1.465 20 0 CDADHP [NH3+]C[C@@]1(O)CCCN([C@H]2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC001246542230 948244684 /nfs/dbraw/zinc/24/46/84/948244684.db2.gz JQLGGKDOMNAOLS-DOTOQJQBSA-N 2 3 295.471 1.617 20 0 CDADHP C[C@@H]1CC[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C[C@@H]1CN ZINC001246552874 948259030 /nfs/dbraw/zinc/25/90/30/948259030.db2.gz PQLNFUQAWYJSRU-QLFBSQMISA-N 2 3 265.445 1.825 20 0 CDADHP C[C@@H]1CC[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C[C@@H]1CN ZINC001246552874 948259038 /nfs/dbraw/zinc/25/90/38/948259038.db2.gz PQLNFUQAWYJSRU-QLFBSQMISA-N 2 3 265.445 1.825 20 0 CDADHP C[C@H]1[C@@H](CN)CCC[N@@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246567687 948286243 /nfs/dbraw/zinc/28/62/43/948286243.db2.gz XOSVJBFEQUBKJO-QRNKSROTSA-N 2 3 265.445 1.968 20 0 CDADHP C[C@H]1[C@@H](CN)CCC[N@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246567687 948286248 /nfs/dbraw/zinc/28/62/48/948286248.db2.gz XOSVJBFEQUBKJO-QRNKSROTSA-N 2 3 265.445 1.968 20 0 CDADHP C[C@@H]1CC(N2CCC([C@H]3CCC[NH2+]3)CC2)C[C@@H](C)[NH2+]1 ZINC001246830818 948464553 /nfs/dbraw/zinc/46/45/53/948464553.db2.gz IKWRVGQNLWVPIO-XJKCOSOUSA-N 2 3 265.445 1.979 20 0 CDADHP CC[NH+](CC)C[C@H](O)CNCC1CC[NH+](C(C)C)CC1 ZINC001253202881 951800419 /nfs/dbraw/zinc/80/04/19/951800419.db2.gz BBKRBGBUHJLLFW-MRXNPFEDSA-N 2 3 285.476 1.399 20 0 CDADHP N[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC001552414203 964230834 /nfs/dbraw/zinc/23/08/34/964230834.db2.gz CDQMEQKCQFQFCP-HOTGVXAUSA-N 2 3 259.397 1.692 20 0 CDADHP CC1([NH+]2CCCC2)CCN(CC2CC([NH3+])C2)CC1 ZINC001550704778 966159373 /nfs/dbraw/zinc/15/93/73/966159373.db2.gz ROJUGKMRPFQAFG-UHFFFAOYSA-N 2 3 251.418 1.674 20 0 CDADHP CCC[NH+]1CCC(NC[C@H](CC[NH+](C)C)OCC)CC1 ZINC000165926914 539128318 /nfs/dbraw/zinc/12/83/18/539128318.db2.gz DTOCGOXQOSMMLE-INIZCTEOSA-N 2 3 285.476 1.807 20 0 CDADHP [NH3+][C@@H]1C[C@@H](NCC2CC[NH+](CCO)CC2)c2ccccc21 ZINC000422981376 359695958 /nfs/dbraw/zinc/69/59/58/359695958.db2.gz SLNBDWOKLIBWDS-IAGOWNOFSA-N 2 3 289.423 1.425 20 0 CDADHP CCCN1CC[C@@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422974864 359732181 /nfs/dbraw/zinc/73/21/81/359732181.db2.gz RWGCLACSUOWZKJ-SLTAFYQDSA-N 2 3 253.434 1.825 20 0 CDADHP [NH3+]C[C@@H]1CCCC[C@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635012102 360657081 /nfs/dbraw/zinc/65/70/81/360657081.db2.gz QOOXTARMQXABOY-DZGCQCFKSA-N 2 3 289.427 1.421 20 0 CDADHP [NH3+]C[C@@H]1CCCC[C@@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635012105 360657198 /nfs/dbraw/zinc/65/71/98/360657198.db2.gz QOOXTARMQXABOY-ZFWWWQNUSA-N 2 3 289.427 1.421 20 0 CDADHP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCN3CCCCC3)C[C@@H]21 ZINC000420316144 244071787 /nfs/dbraw/zinc/07/17/87/244071787.db2.gz XWNWDSPTPXWWDA-OWCLPIDISA-N 2 3 265.445 1.922 20 0 CDADHP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCN3CCCCC3)C[C@@H]21 ZINC000420316144 244071790 /nfs/dbraw/zinc/07/17/90/244071790.db2.gz XWNWDSPTPXWWDA-OWCLPIDISA-N 2 3 265.445 1.922 20 0 CDADHP C[C@H]1C[C@@H](C[N@@H+]2CCCC23CCN(C)CC3)CC[NH2+]1 ZINC000334882514 377731621 /nfs/dbraw/zinc/73/16/21/377731621.db2.gz NLFSJXWWJBCOBP-GJZGRUSLSA-N 2 3 265.445 1.935 20 0 CDADHP C[C@H]1C[C@@H](C[N@H+]2CCCC23CCN(C)CC3)CC[NH2+]1 ZINC000334882514 377731632 /nfs/dbraw/zinc/73/16/32/377731632.db2.gz NLFSJXWWJBCOBP-GJZGRUSLSA-N 2 3 265.445 1.935 20 0 CDADHP C([C@@H]1CCCNC1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543658 390987125 /nfs/dbraw/zinc/98/71/25/390987125.db2.gz QXTQXFIDIIGOAK-OAGGEKHMSA-N 2 3 265.445 1.698 20 0 CDADHP C([C@@H]1CCCNC1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543658 390987127 /nfs/dbraw/zinc/98/71/27/390987127.db2.gz QXTQXFIDIIGOAK-OAGGEKHMSA-N 2 3 265.445 1.698 20 0 CDADHP C([C@@H]1CCC[NH2+]C1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543658 390987130 /nfs/dbraw/zinc/98/71/30/390987130.db2.gz QXTQXFIDIIGOAK-OAGGEKHMSA-N 2 3 265.445 1.698 20 0 CDADHP CCOC(=O)C1([C@@H](C)N[C@@H]2CCCC[C@H]2[NH3+])CC[NH2+]CC1 ZINC000424376095 391673631 /nfs/dbraw/zinc/67/36/31/391673631.db2.gz OMEDMDUGPSHRAS-MGPQQGTHSA-N 2 3 297.443 1.167 20 0 CDADHP CC[C@H](NCCCN1CCC[N@H+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422980445 392274526 /nfs/dbraw/zinc/27/45/26/392274526.db2.gz PPQDWDIIZCPKKX-HOTGVXAUSA-N 2 3 282.476 1.134 20 0 CDADHP CC[C@H](NCCCN1CCC[N@@H+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422980445 392274530 /nfs/dbraw/zinc/27/45/30/392274530.db2.gz PPQDWDIIZCPKKX-HOTGVXAUSA-N 2 3 282.476 1.134 20 0 CDADHP CC[NH+](CC)CCOCCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423034141 392289175 /nfs/dbraw/zinc/28/91/75/392289175.db2.gz HHSIVUBQKMEYLY-ZIAGYGMSSA-N 2 3 257.422 1.062 20 0 CDADHP C[N@@H+]1CCC[C@@H](CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423168972 392407977 /nfs/dbraw/zinc/40/79/77/392407977.db2.gz IGMCLWLMCQVTRX-RDGKXADDSA-N 2 3 251.418 1.591 20 0 CDADHP C[N@H+]1CCC[C@@H](CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423168972 392407983 /nfs/dbraw/zinc/40/79/83/392407983.db2.gz IGMCLWLMCQVTRX-RDGKXADDSA-N 2 3 251.418 1.591 20 0 CDADHP CC(C)(C)N1CCC([NH2+]CCCN2CC[NH2+]CC2)CC1 ZINC000414780151 278341426 /nfs/dbraw/zinc/34/14/26/278341426.db2.gz KQAUYXAKAJFTDO-UHFFFAOYSA-N 2 3 282.476 1.134 20 0 CDADHP N[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000521463040 281075142 /nfs/dbraw/zinc/07/51/42/281075142.db2.gz WHFMUKYMYZQFPU-KGLIPLIRSA-N 2 3 251.418 1.720 20 0 CDADHP CC[NH+](CC)CCOCCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925648506 617591526 /nfs/dbraw/zinc/59/15/26/617591526.db2.gz VHBJFESGEALIIP-UONOGXRCSA-N 2 3 269.433 1.204 20 0 CDADHP C(O[C@H]1CC[NH2+]C1)C1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903775305 626089710 /nfs/dbraw/zinc/08/97/10/626089710.db2.gz KCPDCEUPVNRCPI-SJORKVTESA-N 2 3 295.471 1.467 20 0 CDADHP CC[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCNCC1 ZINC000903906080 626141215 /nfs/dbraw/zinc/14/12/15/626141215.db2.gz RLTGDJRRZVABTP-WTXIUTQJSA-N 2 3 265.445 1.981 20 0 CDADHP CC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCNCC1 ZINC000903906080 626141219 /nfs/dbraw/zinc/14/12/19/626141219.db2.gz RLTGDJRRZVABTP-WTXIUTQJSA-N 2 3 265.445 1.981 20 0 CDADHP CC[NH2+]CC1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904301279 626242746 /nfs/dbraw/zinc/24/27/46/626242746.db2.gz JPNDTUYOHLUMKS-HNNXBMFYSA-N 2 3 253.434 1.698 20 0 CDADHP CC[NH2+]CC1CC[NH+](C[C@@]2(C)CCCNC2)CC1 ZINC000904301279 626242750 /nfs/dbraw/zinc/24/27/50/626242750.db2.gz JPNDTUYOHLUMKS-HNNXBMFYSA-N 2 3 253.434 1.698 20 0 CDADHP C[NH+]1CCC(C)(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000381072144 682390469 /nfs/dbraw/zinc/39/04/69/682390469.db2.gz RCSQNTXFDXRTPE-XPABHHOTSA-N 2 3 263.429 1.304 20 0 CDADHP C[C@@H]([NH3+])[C@H]1CCCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923286961 682791608 /nfs/dbraw/zinc/79/16/08/682791608.db2.gz BWIDQFFLISZHJB-LMINUHAASA-N 2 3 265.445 1.966 20 0 CDADHP CN(C)C[C@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000688526761 934635801 /nfs/dbraw/zinc/63/58/01/934635801.db2.gz JWHWYHOACXCEFB-CQSZACIVSA-N 2 3 273.424 1.716 20 0 CDADHP CN(C)C[C@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000688526761 934635804 /nfs/dbraw/zinc/63/58/04/934635804.db2.gz JWHWYHOACXCEFB-CQSZACIVSA-N 2 3 273.424 1.716 20 0 CDADHP CN1CCC[C@H]1CC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001473703371 970835300 /nfs/dbraw/zinc/83/53/00/970835300.db2.gz KDTULIXKKIMGAN-ILXRZTDVSA-N 2 3 251.418 1.354 20 0 CDADHP CN1CCC[C@H]1CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001473703371 970835307 /nfs/dbraw/zinc/83/53/07/970835307.db2.gz KDTULIXKKIMGAN-ILXRZTDVSA-N 2 3 251.418 1.354 20 0 CDADHP CN1CCC[C@H]1CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001473703371 970835317 /nfs/dbraw/zinc/83/53/17/970835317.db2.gz KDTULIXKKIMGAN-ILXRZTDVSA-N 2 3 251.418 1.354 20 0 CDADHP CN1CCC[C@H]1CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001473703371 970835327 /nfs/dbraw/zinc/83/53/27/970835327.db2.gz KDTULIXKKIMGAN-ILXRZTDVSA-N 2 3 251.418 1.354 20 0 CDADHP CC(C)(C)[C@@H]1C[C@@H](N2CCC(C[NH3+])CC2)CC[NH2+]1 ZINC001246540790 948243002 /nfs/dbraw/zinc/24/30/02/948243002.db2.gz WZDQTLRRWZVASQ-KBPBESRZSA-N 2 3 253.434 1.824 20 0 CDADHP CC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CCN1 ZINC001246570171 948292754 /nfs/dbraw/zinc/29/27/54/948292754.db2.gz TYYIAZDJOMEVAX-LXTVHRRPSA-N 2 3 253.434 1.824 20 0 CDADHP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CCN1 ZINC001246570171 948292765 /nfs/dbraw/zinc/29/27/65/948292765.db2.gz TYYIAZDJOMEVAX-LXTVHRRPSA-N 2 3 253.434 1.824 20 0 CDADHP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CCN1 ZINC001246641951 948378692 /nfs/dbraw/zinc/37/86/92/948378692.db2.gz ALSZSOKQPKIVAK-BMFZPTHFSA-N 2 3 265.445 1.981 20 0 CDADHP C[C@@H]1C[C@H]([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CCN1 ZINC001246641951 948378699 /nfs/dbraw/zinc/37/86/99/948378699.db2.gz ALSZSOKQPKIVAK-BMFZPTHFSA-N 2 3 265.445 1.981 20 0 CDADHP CCN(C)C[C@@H]1CC[N@H+](CC2CC[NH+](CC)CC2)C1 ZINC001560666375 971842948 /nfs/dbraw/zinc/84/29/48/971842948.db2.gz WOADJMNCZDJFIL-INIZCTEOSA-N 2 3 267.461 1.992 20 0 CDADHP CCN(C)C[C@@H]1CC[N@@H+](CC2CC[NH+](CC)CC2)C1 ZINC001560666375 971842950 /nfs/dbraw/zinc/84/29/50/971842950.db2.gz WOADJMNCZDJFIL-INIZCTEOSA-N 2 3 267.461 1.992 20 0 CDADHP N[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H]2C2CC[NH2+]CC2)C12CCC2 ZINC001553024668 964487627 /nfs/dbraw/zinc/48/76/27/964487627.db2.gz MZYQHSOFXVLNOG-LJISPDSOSA-N 2 3 279.428 1.003 20 0 CDADHP [NH3+][C@@H]1C[C@H](N[C@H]2CCO[C@@H]2C2CC[NH2+]CC2)C12CCC2 ZINC001553024668 964487630 /nfs/dbraw/zinc/48/76/30/964487630.db2.gz MZYQHSOFXVLNOG-LJISPDSOSA-N 2 3 279.428 1.003 20 0 CDADHP CC1(C)[C@@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC001553027666 964492845 /nfs/dbraw/zinc/49/28/45/964492845.db2.gz ZGYXEQSGIVPAPT-ODGNXRKOSA-N 2 3 265.445 1.870 20 0 CDADHP NC[C@H]1CCC[C@H]1[NH2+]C1CC(C[NH3+])(c2ccccc2)C1 ZINC001550945047 966298867 /nfs/dbraw/zinc/29/88/67/966298867.db2.gz QYPMCYJKVSNLMG-CRYBEJKASA-N 2 3 273.424 1.763 20 0 CDADHP NC[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000580312061 366059305 /nfs/dbraw/zinc/05/93/05/366059305.db2.gz HHSKOWSWBAYXPN-CBBWQLFWSA-N 2 3 251.418 1.482 20 0 CDADHP CCCN1CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000089140582 684818026 /nfs/dbraw/zinc/81/80/26/684818026.db2.gz VMQXEZKCQOWHJA-ZFWWWQNUSA-N 2 3 253.434 1.968 20 0 CDADHP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCOCC[NH+](C)C ZINC000235123784 296001741 /nfs/dbraw/zinc/00/17/41/296001741.db2.gz XTDIWBKGTCLMGW-LSDHHAIUSA-N 2 3 271.449 1.465 20 0 CDADHP CC[NH+](CC)CCOCCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000349667253 360928629 /nfs/dbraw/zinc/92/86/29/360928629.db2.gz PFWXUGYVZFWJLP-OWCLPIDISA-N 2 3 285.476 1.663 20 0 CDADHP CC[NH+](CC)CCOCCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000349667253 360928633 /nfs/dbraw/zinc/92/86/33/360928633.db2.gz PFWXUGYVZFWJLP-OWCLPIDISA-N 2 3 285.476 1.663 20 0 CDADHP C[C@H]1C[C@H](CN2CCC([NH2+]CC3CC3)CC2)CC[NH2+]1 ZINC000414658660 241305795 /nfs/dbraw/zinc/30/57/95/241305795.db2.gz LRXUOZDBFGAMGR-DZGCQCFKSA-N 2 3 265.445 1.839 20 0 CDADHP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CCCNC1 ZINC000516855042 367196253 /nfs/dbraw/zinc/19/62/53/367196253.db2.gz NXEYCQLYNRYVAD-UQOMUDLDSA-N 2 3 251.418 1.352 20 0 CDADHP CC[NH+](CC)CCOCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000565226241 370397536 /nfs/dbraw/zinc/39/75/36/370397536.db2.gz LPYMSFCVKOFQND-ZIAGYGMSSA-N 2 3 257.422 1.204 20 0 CDADHP OC[C@@H]1CCC[N@@H+]1CCCCN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000305350356 371068108 /nfs/dbraw/zinc/06/81/08/371068108.db2.gz QVUPLPYBRJMYNF-IKGGRYGDSA-N 2 3 295.471 1.440 20 0 CDADHP OC[C@@H]1CCC[N@H+]1CCCCN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000305350356 371068114 /nfs/dbraw/zinc/06/81/14/371068114.db2.gz QVUPLPYBRJMYNF-IKGGRYGDSA-N 2 3 295.471 1.440 20 0 CDADHP OC[C@@H]1CCC[NH+]1CCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000305350356 371068120 /nfs/dbraw/zinc/06/81/20/371068120.db2.gz QVUPLPYBRJMYNF-IKGGRYGDSA-N 2 3 295.471 1.440 20 0 CDADHP OC[C@@H]1CCC[NH+]1CCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000305350356 371068124 /nfs/dbraw/zinc/06/81/24/371068124.db2.gz QVUPLPYBRJMYNF-IKGGRYGDSA-N 2 3 295.471 1.440 20 0 CDADHP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000305350356 371068129 /nfs/dbraw/zinc/06/81/29/371068129.db2.gz QVUPLPYBRJMYNF-IKGGRYGDSA-N 2 3 295.471 1.440 20 0 CDADHP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000305350356 371068132 /nfs/dbraw/zinc/06/81/32/371068132.db2.gz QVUPLPYBRJMYNF-IKGGRYGDSA-N 2 3 295.471 1.440 20 0 CDADHP [NH3+][C@@H]1CCO[C@H](C2CCN(C[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000581548558 373084470 /nfs/dbraw/zinc/08/44/70/373084470.db2.gz MGRYAIVGSXWLKM-BMFZPTHFSA-N 2 3 281.444 1.204 20 0 CDADHP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C[C@@H]3CCCNC3)CC2)C1 ZINC000581548558 373084482 /nfs/dbraw/zinc/08/44/82/373084482.db2.gz MGRYAIVGSXWLKM-BMFZPTHFSA-N 2 3 281.444 1.204 20 0 CDADHP C(C[N@@H+]1CC[C@@H](CN2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000420311441 533365148 /nfs/dbraw/zinc/36/51/48/533365148.db2.gz HBYQMUTXQDVHQT-CABCVRRESA-N 2 3 251.418 1.404 20 0 CDADHP C(C[N@H+]1CC[C@@H](CN2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000420311441 533365156 /nfs/dbraw/zinc/36/51/56/533365156.db2.gz HBYQMUTXQDVHQT-CABCVRRESA-N 2 3 251.418 1.404 20 0 CDADHP C(CN1CC[C@@H](C[NH+]2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000420311441 533365163 /nfs/dbraw/zinc/36/51/63/533365163.db2.gz HBYQMUTXQDVHQT-CABCVRRESA-N 2 3 251.418 1.404 20 0 CDADHP C[N@@H+]1CCC[C@@H](N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000649414616 392201957 /nfs/dbraw/zinc/20/19/57/392201957.db2.gz MOXANCUPSDNZIR-DLBZAZTESA-N 2 3 294.487 1.088 20 0 CDADHP C[N@H+]1CCC[C@@H](N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000649414616 392201961 /nfs/dbraw/zinc/20/19/61/392201961.db2.gz MOXANCUPSDNZIR-DLBZAZTESA-N 2 3 294.487 1.088 20 0 CDADHP CN1CCN(CC[NH2+]C2CCC(C[NH3+])CC2)CC1(C)C ZINC000423095960 392339640 /nfs/dbraw/zinc/33/96/40/392339640.db2.gz GPCLDEOPZOKHLN-UHFFFAOYSA-N 2 3 282.476 1.120 20 0 CDADHP C[C@H]1CCNCC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000335027749 150202618 /nfs/dbraw/zinc/20/26/18/150202618.db2.gz IXNHRUORMLLOIH-PPWQZUPISA-N 2 3 253.434 1.837 20 0 CDADHP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CNCC3)C1 ZINC000652340667 424261031 /nfs/dbraw/zinc/26/10/31/424261031.db2.gz CJDADIHCUJHTKK-AWEZNQCLSA-N 2 3 273.424 1.893 20 0 CDADHP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CNCC3)C1 ZINC000652340667 424261040 /nfs/dbraw/zinc/26/10/40/424261040.db2.gz CJDADIHCUJHTKK-AWEZNQCLSA-N 2 3 273.424 1.893 20 0 CDADHP CSC1(C[NH2+][C@@H]2CCNCC[C@@H]2C)CC[NH+](C)CC1 ZINC000423126653 295582923 /nfs/dbraw/zinc/58/29/23/295582923.db2.gz SCTSZKNIIRFVHD-UONOGXRCSA-N 2 3 285.501 1.792 20 0 CDADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000423463396 303365060 /nfs/dbraw/zinc/36/50/60/303365060.db2.gz PWZQHFAPZWWHRR-BNEGEGKKSA-N 2 3 263.429 1.719 20 0 CDADHP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)C1CC[NH2+]CC1 ZINC000581720343 324821225 /nfs/dbraw/zinc/82/12/25/324821225.db2.gz LIRHBLIMPYQPCL-XHSDSOJGSA-N 2 3 265.445 1.886 20 0 CDADHP CN1CCC[C@H]1CC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715534773 1161409766 /nfs/dbraw/zinc/40/97/66/1161409766.db2.gz XLNUMIUWFQPDAW-NRXISQOPSA-N 2 3 253.434 1.933 20 0 CDADHP CN(CCC1CC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000359228444 522711412 /nfs/dbraw/zinc/71/14/12/522711412.db2.gz XHTNHUYDYGIPFL-YIONKMFJSA-N 2 3 251.418 1.591 20 0 CDADHP C[C@H]1C[C@@H]([NH3+])CCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923393025 618326873 /nfs/dbraw/zinc/32/68/73/618326873.db2.gz MODAPDOKLAFVLX-AILVEWFUSA-N 2 3 251.418 1.719 20 0 CDADHP CSC1(CN[C@@H]2CCC[NH2+][C@@H]2C)CC[NH+](C)CC1 ZINC000925669352 685854331 /nfs/dbraw/zinc/85/43/31/685854331.db2.gz SSPGEDDZQMCDOD-CHWSQXEVSA-N 2 3 271.474 1.544 20 0 CDADHP [NH3+]C[C@@]1(F)CCCCN(CCC23CC([NH3+])(C2)C3)C1 ZINC001206337706 915541556 /nfs/dbraw/zinc/54/15/56/915541556.db2.gz VNSVRNSQRURGSX-MOKVOYLWSA-N 2 3 255.381 1.411 20 0 CDADHP C[C@H]1CCN(Cc2nc3c(s2)C[NH2+]CC3)CC[C@@H]1C[NH3+] ZINC001205638385 923800601 /nfs/dbraw/zinc/80/06/01/923800601.db2.gz NDMFURQFPCMLLX-NWDGAFQWSA-N 2 3 294.468 1.596 20 0 CDADHP C1CC2(C[C@@H]1N[C@H]1CCCC[NH2+]C1)CC[NH2+]CC2 ZINC001246094155 930976265 /nfs/dbraw/zinc/97/62/65/930976265.db2.gz ZOKZJFHYLWOMEP-KGLIPLIRSA-N 2 3 251.418 1.640 20 0 CDADHP CC[C@@H]1C[C@@H]([NH2+]CCCC2CC[NH2+]CC2)CCN1 ZINC001246103332 931016288 /nfs/dbraw/zinc/01/62/88/931016288.db2.gz HNISWAZBJYWAJR-CABCVRRESA-N 2 3 253.434 1.886 20 0 CDADHP CC[C@H]1CC(N2CCC(C[NH3+])CC2)C[C@H](CC)[NH2+]1 ZINC001246536739 931625752 /nfs/dbraw/zinc/62/57/52/931625752.db2.gz CRYCKJUAZJGIGV-KBPBESRZSA-N 2 3 253.434 1.966 20 0 CDADHP CN(C)C[C@@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000688526759 934635482 /nfs/dbraw/zinc/63/54/82/934635482.db2.gz JWHWYHOACXCEFB-AWEZNQCLSA-N 2 3 273.424 1.716 20 0 CDADHP CN(C)C[C@@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000688526759 934635488 /nfs/dbraw/zinc/63/54/88/934635488.db2.gz JWHWYHOACXCEFB-AWEZNQCLSA-N 2 3 273.424 1.716 20 0 CDADHP CC1(C)[NH2+]C[C@@H](CN2CCC3(CC[NH2+]CC3)CC2)O1 ZINC001235134807 944068798 /nfs/dbraw/zinc/06/87/98/944068798.db2.gz GRVICUJAHYEFAK-ZDUSSCGKSA-N 2 3 267.417 1.177 20 0 CDADHP c1ccc([C@@]23CCNC[C@@H]2C[N@H+](CCC2C[NH2+]C2)CC3)cc1 ZINC001235367358 944137309 /nfs/dbraw/zinc/13/73/09/944137309.db2.gz SMCIALJZHVEANK-MOPGFXCFSA-N 2 3 299.462 1.849 20 0 CDADHP c1ccc([C@@]23CCNC[C@@H]2C[N@@H+](CCC2C[NH2+]C2)CC3)cc1 ZINC001235367358 944137312 /nfs/dbraw/zinc/13/73/12/944137312.db2.gz SMCIALJZHVEANK-MOPGFXCFSA-N 2 3 299.462 1.849 20 0 CDADHP CC(C)(C)C[N@H+](CC[C@@H]1C[NH2+]CCO1)C1CCNCC1 ZINC001236456262 944497594 /nfs/dbraw/zinc/49/75/94/944497594.db2.gz APZZGWDQUIYHBI-OAHLLOKOSA-N 2 3 283.460 1.465 20 0 CDADHP CC(C)(C)C[N@@H+](CC[C@@H]1C[NH2+]CCO1)C1CCNCC1 ZINC001236456262 944497598 /nfs/dbraw/zinc/49/75/98/944497598.db2.gz APZZGWDQUIYHBI-OAHLLOKOSA-N 2 3 283.460 1.465 20 0 CDADHP C[C@H]1C[C@H]([NH2+]CC2CC3(C2)CC[NH2+]CC3)CCN1 ZINC001246123711 947972614 /nfs/dbraw/zinc/97/26/14/947972614.db2.gz ARFOGJXFOAVJQW-GXTWGEPZSA-N 2 3 251.418 1.496 20 0 CDADHP CCC[NH+]1CCC(NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001246151255 947991639 /nfs/dbraw/zinc/99/16/39/947991639.db2.gz WXSVOOLESWIZRR-INIZCTEOSA-N 2 3 294.487 1.325 20 0 CDADHP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001246152488 947994086 /nfs/dbraw/zinc/99/40/86/947994086.db2.gz ZEQUHLOVMIOEKO-LVQVYYBASA-N 2 3 292.471 1.075 20 0 CDADHP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001246152488 947994090 /nfs/dbraw/zinc/99/40/90/947994090.db2.gz ZEQUHLOVMIOEKO-LVQVYYBASA-N 2 3 292.471 1.075 20 0 CDADHP CC[C@@H]1C[C@H](NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)C[C@H](CC)[NH2+]1 ZINC001246153236 947994684 /nfs/dbraw/zinc/99/46/84/947994684.db2.gz YBKKSQCTWXMMDW-KOWPAETKSA-N 2 3 295.471 1.510 20 0 CDADHP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)CCN1 ZINC001246276684 948070834 /nfs/dbraw/zinc/07/08/34/948070834.db2.gz FIADKKYSKIEHQF-RDBSUJKOSA-N 2 3 253.434 1.742 20 0 CDADHP COCCC1(C[NH2+][C@H]2CCN[C@@H](C)C2)CC[NH2+]CC1 ZINC001246370280 948142164 /nfs/dbraw/zinc/14/21/64/948142164.db2.gz JEKLIQFRFCZBQN-KBPBESRZSA-N 2 3 269.433 1.123 20 0 CDADHP [NH3+]C[C@@]1(O)CCCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001246543312 948247203 /nfs/dbraw/zinc/24/72/03/948247203.db2.gz MQOURZDRPJJAGE-MRXNPFEDSA-N 2 3 281.444 1.037 20 0 CDADHP [NH3+]C[C@@H]1CN([C@@H]2CCC3(C[NH2+]C3)C2)CCC1(F)F ZINC001246556127 948267494 /nfs/dbraw/zinc/26/74/94/948267494.db2.gz DDXJRKZXACDKJR-GHMZBOCLSA-N 2 3 259.344 1.044 20 0 CDADHP C[C@H](CN)C[N@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256852381 948435504 /nfs/dbraw/zinc/43/55/04/948435504.db2.gz GTDYKCOUZWEXFN-CYBMUJFWSA-N 2 3 262.401 1.577 20 0 CDADHP C[C@H](CN)C[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256852381 948435509 /nfs/dbraw/zinc/43/55/09/948435509.db2.gz GTDYKCOUZWEXFN-CYBMUJFWSA-N 2 3 262.401 1.577 20 0 CDADHP C[N@H+](C[C@@H]1CCCNC1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246840604 948470472 /nfs/dbraw/zinc/47/04/72/948470472.db2.gz IXBDWIKLBHOART-OWCLPIDISA-N 2 3 265.445 1.840 20 0 CDADHP C[N@@H+](C[C@@H]1CCCNC1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246840604 948470476 /nfs/dbraw/zinc/47/04/76/948470476.db2.gz IXBDWIKLBHOART-OWCLPIDISA-N 2 3 265.445 1.840 20 0 CDADHP C[C@H]1C[N@H+](Cc2cc3c(s2)CCNC3)C[C@@H]1CC[NH3+] ZINC001552973541 964462861 /nfs/dbraw/zinc/46/28/61/964462861.db2.gz OEWGKWPMYXKVEI-RYUDHWBXSA-N 2 3 279.453 1.811 20 0 CDADHP C[C@H]1C[N@@H+](Cc2cc3c(s2)CCNC3)C[C@@H]1CC[NH3+] ZINC001552973541 964462867 /nfs/dbraw/zinc/46/28/67/964462867.db2.gz OEWGKWPMYXKVEI-RYUDHWBXSA-N 2 3 279.453 1.811 20 0 CDADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001553024852 964488872 /nfs/dbraw/zinc/48/88/72/964488872.db2.gz SFCJFDQCAYCHLN-FWXGHANASA-N 2 3 277.456 1.741 20 0 CDADHP C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)C1CC[NH+](C)CC1 ZINC000151001125 539071084 /nfs/dbraw/zinc/07/10/84/539071084.db2.gz ITJHDIJMSHBMHK-OAHLLOKOSA-N 2 3 296.503 1.332 20 0 CDADHP [NH3+][C@H]1CCCCC[C@H]1Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000635010729 360653924 /nfs/dbraw/zinc/65/39/24/360653924.db2.gz KZZIZNJQJXYRLC-LSDHHAIUSA-N 2 3 289.427 1.563 20 0 CDADHP CC(C)[C@H](CN)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000634994442 360621574 /nfs/dbraw/zinc/62/15/74/360621574.db2.gz DCEULLFTZUQPDS-SOUVJXGZSA-N 2 3 253.434 1.539 20 0 CDADHP CC(C)[C@H](CN)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000634994442 360621576 /nfs/dbraw/zinc/62/15/76/360621576.db2.gz DCEULLFTZUQPDS-SOUVJXGZSA-N 2 3 253.434 1.539 20 0 CDADHP [NH3+]CC1CCC([NH2+][C@@H]2CNC[C@H]2c2ccccc2)CC1 ZINC000566614787 370774605 /nfs/dbraw/zinc/77/46/05/370774605.db2.gz UVUUCPKCFOQAQJ-MHVXSEJMSA-N 2 3 273.424 1.849 20 0 CDADHP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1CCCNC1 ZINC000516855041 367196372 /nfs/dbraw/zinc/19/63/72/367196372.db2.gz NXEYCQLYNRYVAD-REBRKWNGSA-N 2 3 251.418 1.352 20 0 CDADHP C1CC2(C1)C[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCN2 ZINC000647547725 390995090 /nfs/dbraw/zinc/99/50/90/390995090.db2.gz ACYAXLJOOPMTNE-LXTVHRRPSA-N 2 3 263.429 1.639 20 0 CDADHP C[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)[C@H]1CCCC[NH2+]1 ZINC000422982874 392274543 /nfs/dbraw/zinc/27/45/43/392274543.db2.gz XXOYUJCQBMHYOK-ARFHVFGLSA-N 2 3 283.460 1.344 20 0 CDADHP C[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)[C@H]1CCCC[NH2+]1 ZINC000422982874 392274544 /nfs/dbraw/zinc/27/45/44/392274544.db2.gz XXOYUJCQBMHYOK-ARFHVFGLSA-N 2 3 283.460 1.344 20 0 CDADHP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000459730548 393328645 /nfs/dbraw/zinc/32/86/45/393328645.db2.gz KPXYJCNGSXFWHC-OAGGEKHMSA-N 2 3 265.445 1.935 20 0 CDADHP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000459730548 393328651 /nfs/dbraw/zinc/32/86/51/393328651.db2.gz KPXYJCNGSXFWHC-OAGGEKHMSA-N 2 3 265.445 1.935 20 0 CDADHP C[N@@H+]1CCC[C@H](CCN[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000459730548 393328657 /nfs/dbraw/zinc/32/86/57/393328657.db2.gz KPXYJCNGSXFWHC-OAGGEKHMSA-N 2 3 265.445 1.935 20 0 CDADHP C[N@H+]1CCC[C@H](CCN[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000459730548 393328661 /nfs/dbraw/zinc/32/86/61/393328661.db2.gz KPXYJCNGSXFWHC-OAGGEKHMSA-N 2 3 265.445 1.935 20 0 CDADHP C[NH+]1CCC[C@H](CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000459730548 393328665 /nfs/dbraw/zinc/32/86/65/393328665.db2.gz KPXYJCNGSXFWHC-OAGGEKHMSA-N 2 3 265.445 1.935 20 0 CDADHP C[NH+]1CCC[C@H](CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000459730548 393328669 /nfs/dbraw/zinc/32/86/69/393328669.db2.gz KPXYJCNGSXFWHC-OAGGEKHMSA-N 2 3 265.445 1.935 20 0 CDADHP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCC[C@H](N)C2)CC[NH2+]CC1 ZINC000423362858 285666889 /nfs/dbraw/zinc/66/68/89/285666889.db2.gz ILCUOHVADVBXPA-IHRRRGAJSA-N 2 3 297.443 1.167 20 0 CDADHP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCCC[C@H]2N)CC1 ZINC000422961408 289153467 /nfs/dbraw/zinc/15/34/67/289153467.db2.gz BSPYULDVQNMRBX-HZPDHXFCSA-N 2 3 282.476 1.262 20 0 CDADHP C[C@H]([NH3+])C1CC[NH+](Cc2cccc3c2CCNC3)CC1 ZINC000662247713 414582955 /nfs/dbraw/zinc/58/29/55/414582955.db2.gz ZDFQFXXOKWCZTR-ZDUSSCGKSA-N 2 3 273.424 1.892 20 0 CDADHP [NH3+]CC1(c2ccccc2)CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000903793893 626089364 /nfs/dbraw/zinc/08/93/64/626089364.db2.gz WZMJSULFHUSEHV-INIZCTEOSA-N 2 3 287.451 1.979 20 0 CDADHP CN1CCCC[C@@H]1CC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931433128 723282969 /nfs/dbraw/zinc/28/29/69/723282969.db2.gz PTYKJVBPFKDIBK-OWCLPIDISA-N 2 3 265.445 1.744 20 0 CDADHP CN1CCCC[C@@H]1CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931433128 723282972 /nfs/dbraw/zinc/28/29/72/723282972.db2.gz PTYKJVBPFKDIBK-OWCLPIDISA-N 2 3 265.445 1.744 20 0 CDADHP CN1CCCC[C@@H]1CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931433128 723282979 /nfs/dbraw/zinc/28/29/79/723282979.db2.gz PTYKJVBPFKDIBK-OWCLPIDISA-N 2 3 265.445 1.744 20 0 CDADHP CN1CCCC[C@@H]1CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931433128 723282987 /nfs/dbraw/zinc/28/29/87/723282987.db2.gz PTYKJVBPFKDIBK-OWCLPIDISA-N 2 3 265.445 1.744 20 0 CDADHP NC[C@]12CCC[C@H]1C[N@H+](CCCCCCC[NH3+])C2 ZINC000846224605 723686709 /nfs/dbraw/zinc/68/67/09/723686709.db2.gz TYLZRLXGBNVBDX-GJZGRUSLSA-N 2 3 253.434 1.956 20 0 CDADHP NC[C@]12CCC[C@H]1C[N@@H+](CCCCCCC[NH3+])C2 ZINC000846224605 723686710 /nfs/dbraw/zinc/68/67/10/723686710.db2.gz TYLZRLXGBNVBDX-GJZGRUSLSA-N 2 3 253.434 1.956 20 0 CDADHP F[C@H]1CCNC[C@]12CC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC001235405017 914207218 /nfs/dbraw/zinc/20/72/18/914207218.db2.gz ONNYYZQXAKHHED-GJZGRUSLSA-N 2 3 269.408 1.400 20 0 CDADHP F[C@H]1CCNC[C@]12CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC001235405017 914207223 /nfs/dbraw/zinc/20/72/23/914207223.db2.gz ONNYYZQXAKHHED-GJZGRUSLSA-N 2 3 269.408 1.400 20 0 CDADHP N[C@@H]1CC[N@H+](Cc2cc3c(s2)C[NH2+]CC3)CC[C@H]1F ZINC001206185380 912128529 /nfs/dbraw/zinc/12/85/29/912128529.db2.gz NBYYBNNFAJPPHQ-CHWSQXEVSA-N 2 3 283.416 1.655 20 0 CDADHP N[C@@H]1CC[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)CC[C@H]1F ZINC001206185380 912128532 /nfs/dbraw/zinc/12/85/32/912128532.db2.gz NBYYBNNFAJPPHQ-CHWSQXEVSA-N 2 3 283.416 1.655 20 0 CDADHP CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](CC[NH3+])C2)CC1 ZINC000923480208 923865126 /nfs/dbraw/zinc/86/51/26/923865126.db2.gz GENIOARSCYYUPS-MRXNPFEDSA-N 2 3 282.476 1.073 20 0 CDADHP CC(C)N1CCN(CCC[N@H+]2CC[C@@H](CC[NH3+])C2)CC1 ZINC000923480208 923865136 /nfs/dbraw/zinc/86/51/36/923865136.db2.gz GENIOARSCYYUPS-MRXNPFEDSA-N 2 3 282.476 1.073 20 0 CDADHP C[C@@H]1CC[C@H](C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)C[NH2+]1 ZINC001246095589 930981717 /nfs/dbraw/zinc/98/17/17/930981717.db2.gz LIRYCBONCMFMOH-FVPDABNVSA-N 2 3 265.445 1.979 20 0 CDADHP C[C@@]1(N)C[C@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246458515 931501634 /nfs/dbraw/zinc/50/16/34/931501634.db2.gz HBRHPBYQCZSBHJ-OKILXGFUSA-N 2 3 251.418 1.768 20 0 CDADHP C[C@@H]1CC[C@H](CN)C[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001206760708 940085718 /nfs/dbraw/zinc/08/57/18/940085718.db2.gz KKURGMGNNMMUIQ-ZIAGYGMSSA-N 2 3 265.445 1.825 20 0 CDADHP C[C@@H]1CC[C@H](CN)C[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001206760708 940085721 /nfs/dbraw/zinc/08/57/21/940085721.db2.gz KKURGMGNNMMUIQ-ZIAGYGMSSA-N 2 3 265.445 1.825 20 0 CDADHP C[C@@H]1CC[C@@H](C[NH3+])CN1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001206772160 940086698 /nfs/dbraw/zinc/08/66/98/940086698.db2.gz YUWGFKZMHJDBQZ-HIFRSBDPSA-N 2 3 273.424 1.892 20 0 CDADHP c1cc2c(cc1CN1CC3(C1)CC[NH2+]CC3)CC[NH2+]C2 ZINC001235089708 944050721 /nfs/dbraw/zinc/05/07/21/944050721.db2.gz QKHHTWGOCZWDIA-UHFFFAOYSA-N 2 3 271.408 1.518 20 0 CDADHP C[NH2+]CC1CC[NH+](Cc2ccc3c(c2)CNC3)CC1 ZINC001235680237 944242351 /nfs/dbraw/zinc/24/23/51/944242351.db2.gz SCAZMMUXHRBMJX-UHFFFAOYSA-N 2 3 259.397 1.721 20 0 CDADHP C(C[N@H+](C[C@H]1CCCNC1)C1CCCC1)[C@H]1C[NH2+]CCO1 ZINC001236370589 944486094 /nfs/dbraw/zinc/48/60/94/944486094.db2.gz IEMKAMBWDUQNBA-RDJZCZTQSA-N 2 3 295.471 1.609 20 0 CDADHP C(C[N@@H+](C[C@H]1CCCNC1)C1CCCC1)[C@H]1C[NH2+]CCO1 ZINC001236370589 944486097 /nfs/dbraw/zinc/48/60/97/944486097.db2.gz IEMKAMBWDUQNBA-RDJZCZTQSA-N 2 3 295.471 1.609 20 0 CDADHP C[C@@H]1CC[C@H](CNC2CCC([NH+](C)C)CC2)[NH2+]C1 ZINC001246103295 947954801 /nfs/dbraw/zinc/95/48/01/947954801.db2.gz HINRARQZBPSSFT-FEWQNLEASA-N 2 3 253.434 1.837 20 0 CDADHP F[C@@]1(CNC2CCC3(CC[NH2+]C3)CC2)CCCC[NH2+]C1 ZINC001246107105 947957710 /nfs/dbraw/zinc/95/77/10/947957710.db2.gz FFXWKAPOJRFERY-GPANFISMSA-N 2 3 283.435 1.980 20 0 CDADHP C[C@H]1CNC[C@@H]1[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246108085 947958732 /nfs/dbraw/zinc/95/87/32/947958732.db2.gz KINOLSZSZAVYEF-LQULJDIASA-N 2 3 251.418 1.496 20 0 CDADHP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246167448 948003669 /nfs/dbraw/zinc/00/36/69/948003669.db2.gz FFNBBGYMMHNFPX-QXULXFAOSA-N 2 3 293.455 1.408 20 0 CDADHP CC1(C)CNCC[C@@H]1[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246369168 948140399 /nfs/dbraw/zinc/14/03/99/948140399.db2.gz CAWCVXXSUCLPDF-OFQRWUPVSA-N 2 3 265.445 1.886 20 0 CDADHP Fc1cccc(C2(C[NH2+]C3CCNCC3)CC[NH2+]CC2)c1 ZINC001246386241 948148208 /nfs/dbraw/zinc/14/82/08/948148208.db2.gz HAQYLTAEAXUUEJ-UHFFFAOYSA-N 2 3 291.414 1.789 20 0 CDADHP CC[C@]1([NH2+][C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCNC1 ZINC001246459476 948184751 /nfs/dbraw/zinc/18/47/51/948184751.db2.gz KJDFZGWCDIZPBT-KFWWJZLASA-N 2 3 251.418 1.640 20 0 CDADHP C1CC([C@H]([NH2+][C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C2CNC2)C1 ZINC001246512183 948218252 /nfs/dbraw/zinc/21/82/52/948218252.db2.gz AZXOZTHNRZERTN-IKGGRYGDSA-N 2 3 277.456 1.886 20 0 CDADHP C[C@H]1CC[N@@H+](C2CCC3(C[NH2+]C3)CC2)C[C@H]1CN ZINC001246551423 948255385 /nfs/dbraw/zinc/25/53/85/948255385.db2.gz MTDALXDQGKNOJQ-QWHCGFSZSA-N 2 3 251.418 1.435 20 0 CDADHP C[C@H]1CC[N@H+](C2CCC3(C[NH2+]C3)CC2)C[C@H]1CN ZINC001246551423 948255395 /nfs/dbraw/zinc/25/53/95/948255395.db2.gz MTDALXDQGKNOJQ-QWHCGFSZSA-N 2 3 251.418 1.435 20 0 CDADHP CC(C)(C)[C@H]1C[C@H](N2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246596802 948332826 /nfs/dbraw/zinc/33/28/26/948332826.db2.gz QXNVMEQGOWDEEQ-HUUCEWRRSA-N 2 3 294.487 1.181 20 0 CDADHP C[C@H]1CC([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C[C@H](C)N1 ZINC001246929217 948525402 /nfs/dbraw/zinc/52/54/02/948525402.db2.gz DEOLWJIHFWCRAZ-XDQVBPFNSA-N 2 3 251.418 1.447 20 0 CDADHP C[C@H]1CC([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C[C@H](C)N1 ZINC001246929217 948525408 /nfs/dbraw/zinc/52/54/08/948525408.db2.gz DEOLWJIHFWCRAZ-XDQVBPFNSA-N 2 3 251.418 1.447 20 0 CDADHP COCC[N@H+](C1CCC2(CC[NH2+]C2)CC1)[C@@H]1CCCNC1 ZINC001246930712 948526415 /nfs/dbraw/zinc/52/64/15/948526415.db2.gz VRKPVHQHMNSVOR-AQFXKWCLSA-N 2 3 295.471 1.609 20 0 CDADHP COCC[N@@H+](C1CCC2(CC[NH2+]C2)CC1)[C@@H]1CCCNC1 ZINC001246930712 948526422 /nfs/dbraw/zinc/52/64/22/948526422.db2.gz VRKPVHQHMNSVOR-AQFXKWCLSA-N 2 3 295.471 1.609 20 0 CDADHP CC(C)N1CCC([NH+]2CC3(C2)CC[NH+](C)CC3)CC1 ZINC001257221796 948553337 /nfs/dbraw/zinc/55/33/37/948553337.db2.gz INWZOTMHKPMVOE-UHFFFAOYSA-N 2 3 265.445 1.887 20 0 CDADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC001553024559 964486877 /nfs/dbraw/zinc/48/68/77/964486877.db2.gz HZLPYVSYXZBXSJ-YHQUGGNUSA-N 2 3 251.418 1.480 20 0 CDADHP NC[C@@]12CCC[C@@H]1C[N@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001550436690 965938991 /nfs/dbraw/zinc/93/89/91/965938991.db2.gz JDTGRPMATKLKMN-MUOSFQKXSA-N 2 3 277.456 1.968 20 0 CDADHP NC[C@@]12CCC[C@@H]1C[N@@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001550436690 965939001 /nfs/dbraw/zinc/93/90/01/965939001.db2.gz JDTGRPMATKLKMN-MUOSFQKXSA-N 2 3 277.456 1.968 20 0 CDADHP CC[NH+]1CCC(CCNC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629564998 363016935 /nfs/dbraw/zinc/01/69/35/363016935.db2.gz NVXJPADFXJXDOI-MRXNPFEDSA-N 2 3 283.460 1.155 20 0 CDADHP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2c(c1)CNCC2 ZINC000635003458 360645764 /nfs/dbraw/zinc/64/57/64/360645764.db2.gz JSAJRVNCUDOWAV-KBRIMQKVSA-N 2 3 285.435 1.810 20 0 CDADHP C[C@@H]([NH3+])C[C@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635007905 360658266 /nfs/dbraw/zinc/65/82/66/360658266.db2.gz BRAZJVHIPROFIK-NEPJUHHUSA-N 2 3 263.389 1.029 20 0 CDADHP C[C@@H]1CCNCC[C@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000422733401 245190194 /nfs/dbraw/zinc/19/01/94/245190194.db2.gz BEMSXBPXODMEQG-UKRRQHHQSA-N 2 3 253.434 1.696 20 0 CDADHP CCO[C@@H](CC[NH+](C)C)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422863777 245347795 /nfs/dbraw/zinc/34/77/95/245347795.db2.gz LWOAUVWMBJDMEH-IXXDHKBRSA-N 2 3 269.433 1.216 20 0 CDADHP c1cc(N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)cc[nH+]1 ZINC000649414494 392194758 /nfs/dbraw/zinc/19/47/58/392194758.db2.gz CANDGEVMIYWTCQ-HNNXBMFYSA-N 2 3 274.412 1.593 20 0 CDADHP CC[NH+](CC)CCOCCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000423040883 392292888 /nfs/dbraw/zinc/29/28/88/392292888.db2.gz VFGGZRZFSZJCNU-GJZGRUSLSA-N 2 3 271.449 1.323 20 0 CDADHP C(CN1CCC[C@@H]([NH+]2CCCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000420320904 397697090 /nfs/dbraw/zinc/69/70/90/397697090.db2.gz QSRQTZCRBHXSTR-JKSUJKDBSA-N 2 3 265.445 1.936 20 0 CDADHP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCC[C@H]1CN ZINC000422867831 286443442 /nfs/dbraw/zinc/44/34/42/286443442.db2.gz TVSRTBNWLVEDHJ-MJBXVCDLSA-N 2 3 257.422 1.060 20 0 CDADHP CC1(C)CCC[NH2+][C@H]1CNC1CCC(C[NH3+])CC1 ZINC000414933260 281001756 /nfs/dbraw/zinc/00/17/56/281001756.db2.gz UGKLDFTVTHJSIS-RUXDESIVSA-N 2 3 253.434 1.872 20 0 CDADHP C[NH2+]C[C@@](C)(O)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000579363996 324170113 /nfs/dbraw/zinc/17/01/13/324170113.db2.gz OUEDLVOXVOLJEQ-QGZVFWFLSA-N 2 3 297.487 1.545 20 0 CDADHP CNC[C@@](C)(O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000579363996 324170114 /nfs/dbraw/zinc/17/01/14/324170114.db2.gz OUEDLVOXVOLJEQ-QGZVFWFLSA-N 2 3 297.487 1.545 20 0 CDADHP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCCC[C@@H]2N)CC1 ZINC000422857068 535694422 /nfs/dbraw/zinc/69/44/22/535694422.db2.gz GTLWPJSOSUTRGD-DLBZAZTESA-N 2 3 296.503 1.654 20 0 CDADHP C[C@]1(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)CCC[NH2+]C1 ZINC000904373735 626268996 /nfs/dbraw/zinc/26/89/96/626268996.db2.gz VRIHOTICVYIBGN-IKGGRYGDSA-N 2 3 295.471 1.594 20 0 CDADHP [NH3+]C[C@H]1CC[C@H](CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925700016 695365507 /nfs/dbraw/zinc/36/55/07/695365507.db2.gz MVMQBCGUFOQOHE-NLWNOMGPSA-N 2 3 263.429 1.338 20 0 CDADHP [NH3+]C1CC(C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925729792 696008707 /nfs/dbraw/zinc/00/87/07/696008707.db2.gz MBWTWJNIEQSLQX-RIXNLZLZSA-N 2 3 251.418 1.482 20 0 CDADHP C[NH+](C)Cc1ccc(CNC2CC[NH+](C)CC2)cc1 ZINC000122942133 1175246518 /nfs/dbraw/zinc/24/65/18/1175246518.db2.gz MXUXGHYVXJKGDY-UHFFFAOYSA-N 2 3 261.413 1.932 20 0 CDADHP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCN1c1ccncc1 ZINC000883447573 724083910 /nfs/dbraw/zinc/08/39/10/724083910.db2.gz GFRNQKNTYMOJBU-CABCVRRESA-N 2 3 274.412 1.592 20 0 CDADHP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCN1c1ccncc1 ZINC000883447573 724083911 /nfs/dbraw/zinc/08/39/11/724083911.db2.gz GFRNQKNTYMOJBU-CABCVRRESA-N 2 3 274.412 1.592 20 0 CDADHP C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC001575941553 1167654177 /nfs/dbraw/zinc/65/41/77/1167654177.db2.gz RSFYFBZZDYZNCO-OWCLPIDISA-N 2 3 284.492 1.379 20 0 CDADHP CCCN1CC[C@H](C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000693011483 894705122 /nfs/dbraw/zinc/70/51/22/894705122.db2.gz UNMAJSGMIGCPKP-OAHLLOKOSA-N 2 3 253.434 1.650 20 0 CDADHP CCN1CCC[C@H](C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC001118120200 937594004 /nfs/dbraw/zinc/59/40/04/937594004.db2.gz VBUIGGGKUFRNKM-KFWWJZLASA-N 2 3 253.434 1.696 20 0 CDADHP CN(C)C1(CNc2ccccc2CC[NH3+])CC[NH+](C)CC1 ZINC001164213565 939431288 /nfs/dbraw/zinc/43/12/88/939431288.db2.gz WNGHCGFQPVYQNN-UHFFFAOYSA-N 2 3 290.455 1.626 20 0 CDADHP CN(C)c1ccncc1NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001218563450 941237385 /nfs/dbraw/zinc/23/73/85/941237385.db2.gz QNDNFNVNOQVMNN-LBPRGKRZSA-N 2 3 293.415 1.145 20 0 CDADHP [NH3+]CCCCCC[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235405484 944146701 /nfs/dbraw/zinc/14/67/01/944146701.db2.gz PEWXUBUFKPUOKS-KGLIPLIRSA-N 2 3 257.397 1.529 20 0 CDADHP [NH3+]CCCCCC[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235405484 944146703 /nfs/dbraw/zinc/14/67/03/944146703.db2.gz PEWXUBUFKPUOKS-KGLIPLIRSA-N 2 3 257.397 1.529 20 0 CDADHP [NH3+]CCCCCCN1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235405484 944146705 /nfs/dbraw/zinc/14/67/05/944146705.db2.gz PEWXUBUFKPUOKS-KGLIPLIRSA-N 2 3 257.397 1.529 20 0 CDADHP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C[C@H]2C)CCN1 ZINC001246094251 947944134 /nfs/dbraw/zinc/94/41/34/947944134.db2.gz DRCBIGCTBVWYDT-LXTVHRRPSA-N 2 3 253.434 1.742 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC001246107533 947956805 /nfs/dbraw/zinc/95/68/05/947956805.db2.gz CADHPYMJLCKFFG-MWQQHZPXSA-N 2 3 273.424 1.925 20 0 CDADHP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]CC[C@H]2C)CCN1 ZINC001246115438 947968443 /nfs/dbraw/zinc/96/84/43/947968443.db2.gz YPIREGKXKCOOPJ-LXTVHRRPSA-N 2 3 253.434 1.742 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2C[NH2+]Cc3cccn3C2)CCN1 ZINC001246143149 947987206 /nfs/dbraw/zinc/98/72/06/947987206.db2.gz UAYSCPSXIBQURS-ILXRZTDVSA-N 2 3 276.428 1.328 20 0 CDADHP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CCN1 ZINC001246151193 947991623 /nfs/dbraw/zinc/99/16/23/947991623.db2.gz PTUYQXPPWFWDBE-QPSCCSFWSA-N 2 3 265.445 1.742 20 0 CDADHP [NH3+]CCCNCCC[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC001246454420 948182205 /nfs/dbraw/zinc/18/22/05/948182205.db2.gz SGHWHKLBGDPSEI-IRXDYDNUSA-N 2 3 290.455 1.398 20 0 CDADHP CC[C@@H]1C[C@@H](N2CCC[C@@](O)(C[NH3+])CC2)C[C@H](CC)[NH2+]1 ZINC001246546027 948253753 /nfs/dbraw/zinc/25/37/53/948253753.db2.gz XVZJHKDUCSWTCM-FZKCQIBNSA-N 2 3 283.460 1.471 20 0 CDADHP [NH3+]C[C@@]1(F)CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246553526 948259446 /nfs/dbraw/zinc/25/94/46/948259446.db2.gz ZAOUYVCCIMHUMZ-CBBWQLFWSA-N 2 3 269.408 1.812 20 0 CDADHP [NH3+]C[C@@]1(F)CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246553526 948259453 /nfs/dbraw/zinc/25/94/53/948259453.db2.gz ZAOUYVCCIMHUMZ-CBBWQLFWSA-N 2 3 269.408 1.812 20 0 CDADHP C[NH+](C)C1CCC(N2CCC(F)(F)[C@@H](C[NH3+])C2)CC1 ZINC001246562670 948278633 /nfs/dbraw/zinc/27/86/33/948278633.db2.gz ZGVOYSUUEVXHQZ-HIFPTAJRSA-N 2 3 275.387 1.775 20 0 CDADHP C1[NH2+]CC12CC[C@@H]([N@@H+]1CCCC[C@]13CCCNC3)C2 ZINC001246649276 948387088 /nfs/dbraw/zinc/38/70/88/948387088.db2.gz BHPCHMSRGHOQAQ-GDBMZVCRSA-N 2 3 263.429 1.737 20 0 CDADHP C1[NH2+]CC12CC[C@@H]([N@H+]1CCCC[C@]13CCCNC3)C2 ZINC001246649276 948387096 /nfs/dbraw/zinc/38/70/96/948387096.db2.gz BHPCHMSRGHOQAQ-GDBMZVCRSA-N 2 3 263.429 1.737 20 0 CDADHP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256684916 948395826 /nfs/dbraw/zinc/39/58/26/948395826.db2.gz WANLTNTWVAPCMM-UIDBIOKJSA-N 2 3 281.444 1.489 20 0 CDADHP CC(C)[C@@H]1C[C@@H]([N@H+](C)CC2CC[NH2+]CC2)CCN1 ZINC001246682153 948403183 /nfs/dbraw/zinc/40/31/83/948403183.db2.gz SYAZHPRNTWHZPZ-GJZGRUSLSA-N 2 3 253.434 1.694 20 0 CDADHP CC(C)[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)CCN1 ZINC001246682153 948403188 /nfs/dbraw/zinc/40/31/88/948403188.db2.gz SYAZHPRNTWHZPZ-GJZGRUSLSA-N 2 3 253.434 1.694 20 0 CDADHP [NH3+]CC1CCC(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC001553024664 964487526 /nfs/dbraw/zinc/48/75/26/964487526.db2.gz MVMQBCGUFOQOHE-SEEQJVSKSA-N 2 3 263.429 1.338 20 0 CDADHP N[C@@H]1CCC[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000569987741 363269829 /nfs/dbraw/zinc/26/98/29/363269829.db2.gz FRPIROHFZAOUCA-ILXRZTDVSA-N 2 3 269.433 1.083 20 0 CDADHP N[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000569987741 363269831 /nfs/dbraw/zinc/26/98/31/363269831.db2.gz FRPIROHFZAOUCA-ILXRZTDVSA-N 2 3 269.433 1.083 20 0 CDADHP CC1(C)CNCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000634733494 358072224 /nfs/dbraw/zinc/07/22/24/358072224.db2.gz GZIFDNJAGCMNSY-TUVASFSCSA-N 2 3 265.445 1.742 20 0 CDADHP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423508672 359830841 /nfs/dbraw/zinc/83/08/41/359830841.db2.gz IZPWJKBYPAKOST-VNQPRFMTSA-N 2 3 261.413 1.849 20 0 CDADHP C[C@@H]1C[C@@H](CN2CCC([N@H+](C)CCCO)CC2)CC[NH2+]1 ZINC000414691774 241326787 /nfs/dbraw/zinc/32/67/87/241326787.db2.gz JLVAZDPFJDWBQR-CABCVRRESA-N 2 3 283.460 1.153 20 0 CDADHP C[C@@H]1C[C@@H](CN2CCC([N@@H+](C)CCCO)CC2)CC[NH2+]1 ZINC000414691774 241326792 /nfs/dbraw/zinc/32/67/92/241326792.db2.gz JLVAZDPFJDWBQR-CABCVRRESA-N 2 3 283.460 1.153 20 0 CDADHP C[C@@H]1C[C@H](CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000414656955 241305451 /nfs/dbraw/zinc/30/54/51/241305451.db2.gz NXIGKYMSSVXDCI-ARJVPZMDSA-N 2 3 251.418 1.589 20 0 CDADHP C[NH+](C)C1CCN(CCN[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422820284 245297497 /nfs/dbraw/zinc/29/74/97/245297497.db2.gz PUUJUBHGTIYCRP-GOEBONIOSA-N 2 3 282.476 1.120 20 0 CDADHP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000422820284 245297499 /nfs/dbraw/zinc/29/74/99/245297499.db2.gz PUUJUBHGTIYCRP-GOEBONIOSA-N 2 3 282.476 1.120 20 0 CDADHP C[C@@H](NC[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCCC[NH2+]1 ZINC000333323355 205217961 /nfs/dbraw/zinc/21/79/61/205217961.db2.gz UVZBGQBHGXPONK-TUVASFSCSA-N 2 3 253.434 1.872 20 0 CDADHP C([C@@H]1CCCNC1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543659 390987078 /nfs/dbraw/zinc/98/70/78/390987078.db2.gz QXTQXFIDIIGOAK-OWCLPIDISA-N 2 3 265.445 1.698 20 0 CDADHP C([C@@H]1CCCNC1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543659 390987083 /nfs/dbraw/zinc/98/70/83/390987083.db2.gz QXTQXFIDIIGOAK-OWCLPIDISA-N 2 3 265.445 1.698 20 0 CDADHP C([C@@H]1CCC[NH2+]C1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543659 390987086 /nfs/dbraw/zinc/98/70/86/390987086.db2.gz QXTQXFIDIIGOAK-OWCLPIDISA-N 2 3 265.445 1.698 20 0 CDADHP C(CN(C1CC1)C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000647814773 391802681 /nfs/dbraw/zinc/80/26/81/391802681.db2.gz FHGLBBLHSNJEAR-ZDUSSCGKSA-N 2 3 251.418 1.593 20 0 CDADHP C[NH+](C)CCOc1cccc(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000563426742 316307783 /nfs/dbraw/zinc/30/77/83/316307783.db2.gz WKMULEOGJGLDTQ-HOTGVXAUSA-N 2 3 291.439 1.987 20 0 CDADHP C[C@@H]1C[C@H](C[NH2+][C@H]2CCNC3(CCC3)C2)CC[NH2+]1 ZINC000666993965 483038463 /nfs/dbraw/zinc/03/84/63/483038463.db2.gz XWLOGROKLPOSPX-MCIONIFRSA-N 2 3 251.418 1.639 20 0 CDADHP CCN(CC)C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178982069 535598160 /nfs/dbraw/zinc/59/81/60/535598160.db2.gz NJSXJJATZMOLFY-OAHLLOKOSA-N 2 3 253.434 1.650 20 0 CDADHP CCN(CC)C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178982069 535598164 /nfs/dbraw/zinc/59/81/64/535598164.db2.gz NJSXJJATZMOLFY-OAHLLOKOSA-N 2 3 253.434 1.650 20 0 CDADHP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCCNCC1 ZINC000414718262 535773583 /nfs/dbraw/zinc/77/35/83/535773583.db2.gz RAUPLWFFNDRPLB-ZNMIVQPWSA-N 2 3 253.434 1.839 20 0 CDADHP CC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCCNCC1 ZINC000414718262 535773581 /nfs/dbraw/zinc/77/35/81/535773581.db2.gz RAUPLWFFNDRPLB-ZNMIVQPWSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)C1CNC1 ZINC000817900002 727404390 /nfs/dbraw/zinc/40/43/90/727404390.db2.gz JMMHQARJHGKCTC-JEYLPNPQSA-N 2 3 265.445 1.981 20 0 CDADHP C[C@@H]1CCN(Cc2nc3c(s2)C[NH2+]CC3)CC[C@H]1C[NH3+] ZINC001205638384 923801737 /nfs/dbraw/zinc/80/17/37/923801737.db2.gz NDMFURQFPCMLLX-NEPJUHHUSA-N 2 3 294.468 1.596 20 0 CDADHP F[C@]1(CN[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCCC[NH2+]C1 ZINC001246110209 931052287 /nfs/dbraw/zinc/05/22/87/931052287.db2.gz HREPJRJRLOJIHI-BZUAXINKSA-N 2 3 283.435 1.980 20 0 CDADHP C1[NH2+]C[C@H]2C[C@H]([N@@H+]3CCC[C@]4(CCCNC4)C3)C[C@@H]12 ZINC001246610604 932093084 /nfs/dbraw/zinc/09/30/84/932093084.db2.gz PVJMVYCLXCVSCE-JJXSEGSLSA-N 2 3 263.429 1.450 20 0 CDADHP C1[NH2+]C[C@H]2C[C@H]([N@H+]3CCC[C@]4(CCCNC4)C3)C[C@@H]12 ZINC001246610604 932093086 /nfs/dbraw/zinc/09/30/86/932093086.db2.gz PVJMVYCLXCVSCE-JJXSEGSLSA-N 2 3 263.429 1.450 20 0 CDADHP CC(C)[N@H+](CC1CC[NH2+]CC1)[C@H]1CCCNCC1 ZINC001206580563 940063723 /nfs/dbraw/zinc/06/37/23/940063723.db2.gz FBAODZCNVCHSPO-HNNXBMFYSA-N 2 3 253.434 1.839 20 0 CDADHP CC(C)[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCCNCC1 ZINC001206580563 940063726 /nfs/dbraw/zinc/06/37/26/940063726.db2.gz FBAODZCNVCHSPO-HNNXBMFYSA-N 2 3 253.434 1.839 20 0 CDADHP CCC[NH+]1C[C@H]2CN(CC3CC[NH+](CC)CC3)C[C@@H]2C1 ZINC001208602361 940347281 /nfs/dbraw/zinc/34/72/81/940347281.db2.gz CXNCCKNTAACGRE-IRXDYDNUSA-N 2 3 279.472 1.992 20 0 CDADHP CCCN1C[C@H]2C[NH+](CC3CC[NH+](CC)CC3)C[C@@H]2C1 ZINC001208602361 940347286 /nfs/dbraw/zinc/34/72/86/940347286.db2.gz CXNCCKNTAACGRE-IRXDYDNUSA-N 2 3 279.472 1.992 20 0 CDADHP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)[C@@H](N)CCC[NH3+] ZINC001220384450 941442408 /nfs/dbraw/zinc/44/24/08/941442408.db2.gz UQXWMEVBIOPJHD-KBPBESRZSA-N 2 3 290.411 1.188 20 0 CDADHP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@]2(CCCNC2)C1 ZINC001222259424 941579852 /nfs/dbraw/zinc/57/98/52/941579852.db2.gz PMHMRGTXTPJNDC-HNNXBMFYSA-N 2 3 251.418 1.452 20 0 CDADHP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@]2(CCCNC2)C1 ZINC001222259424 941579853 /nfs/dbraw/zinc/57/98/53/941579853.db2.gz PMHMRGTXTPJNDC-HNNXBMFYSA-N 2 3 251.418 1.452 20 0 CDADHP FC1(CN2CCC[C@@]23CCC[NH2+]CC3)CC[NH2+]CC1 ZINC001222307810 941582488 /nfs/dbraw/zinc/58/24/88/941582488.db2.gz BRDMOKPTGFDSGQ-OAHLLOKOSA-N 2 3 269.408 1.686 20 0 CDADHP CC1(C)[NH2+][C@@H](CCN2CC[C@H]3C[NH2+]C[C@H]3CC2)CO1 ZINC001222624006 941620769 /nfs/dbraw/zinc/62/07/69/941620769.db2.gz SFNSBUFVIWRBOG-MJBXVCDLSA-N 2 3 267.417 1.032 20 0 CDADHP F[C@H]1CCNC[C@]12CC[N@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235401117 944144731 /nfs/dbraw/zinc/14/47/31/944144731.db2.gz FURABQOAOPWXEX-RDJZCZTQSA-N 2 3 295.446 1.790 20 0 CDADHP F[C@H]1CCNC[C@]12CC[N@@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235401117 944144736 /nfs/dbraw/zinc/14/47/36/944144736.db2.gz FURABQOAOPWXEX-RDJZCZTQSA-N 2 3 295.446 1.790 20 0 CDADHP O[C@@]1(C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)CCCCNC1 ZINC001246104231 947939793 /nfs/dbraw/zinc/93/97/93/947939793.db2.gz AEJDBTNWOJQFDV-KRWDZBQOSA-N 2 3 295.471 1.393 20 0 CDADHP C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246139484 947981608 /nfs/dbraw/zinc/98/16/08/947981608.db2.gz DAWZCRJMVRJRHL-CABCVRRESA-N 2 3 292.471 1.125 20 0 CDADHP CCCC[C@@H]1C[C@@H](NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246159073 947997617 /nfs/dbraw/zinc/99/76/17/947997617.db2.gz WZBGAACOKQOJKN-BQJWPVKWSA-N 2 3 295.471 1.511 20 0 CDADHP C[C@H]1CNCC[C@@H]1[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246209682 948028732 /nfs/dbraw/zinc/02/87/32/948028732.db2.gz IHVPMERDACCSRE-UIDBIOKJSA-N 2 3 265.445 1.886 20 0 CDADHP F[C@H]1CCNC[C@H]1C[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246224319 948037354 /nfs/dbraw/zinc/03/73/54/948037354.db2.gz WCOGBVYTWWEINO-UIDBIOKJSA-N 2 3 283.435 1.836 20 0 CDADHP C([NH2+]C1CCNCC1)C1(CC2CC2)CC[NH2+]CC1 ZINC001246383776 948147061 /nfs/dbraw/zinc/14/70/61/948147061.db2.gz JPCDNIILJNUYKZ-UHFFFAOYSA-N 2 3 251.418 1.498 20 0 CDADHP CC[C@H]1C[C@@H]([NH2+]CC2(CC)CC[NH2+]CC2)CCN1 ZINC001246425293 948167668 /nfs/dbraw/zinc/16/76/68/948167668.db2.gz XHXZCAYHZHWXBE-KBPBESRZSA-N 2 3 253.434 1.886 20 0 CDADHP [NH3+]C[C@H]1CN(C2CCC3(CC[NH2+]C3)CC2)CCC1(F)F ZINC001246559850 948274371 /nfs/dbraw/zinc/27/43/71/948274371.db2.gz OFWYOSUFLLPQJC-HSBZDZAISA-N 2 3 287.398 1.825 20 0 CDADHP C1C[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)[C@@H]2CCNC[C@H]12 ZINC001246617464 948347899 /nfs/dbraw/zinc/34/78/99/948347899.db2.gz CIDZNNXDOKQCOF-ORBLRFAASA-N 2 3 277.456 1.983 20 0 CDADHP C1C[N@H+](C2CCC3(CCC[NH2+]C3)CC2)[C@@H]2CCNC[C@H]12 ZINC001246617464 948347906 /nfs/dbraw/zinc/34/79/06/948347906.db2.gz CIDZNNXDOKQCOF-ORBLRFAASA-N 2 3 277.456 1.983 20 0 CDADHP C1C[NH2+]C[C@@H]([C@H]2CCC[N@@H+](C3CCNCC3)C2)C1 ZINC001246678072 948401527 /nfs/dbraw/zinc/40/15/27/948401527.db2.gz MXMPHFUFWMCZGZ-KBPBESRZSA-N 2 3 251.418 1.450 20 0 CDADHP C1C[NH2+]C[C@@H]([C@H]2CCC[N@H+](C3CCNCC3)C2)C1 ZINC001246678072 948401531 /nfs/dbraw/zinc/40/15/31/948401531.db2.gz MXMPHFUFWMCZGZ-KBPBESRZSA-N 2 3 251.418 1.450 20 0 CDADHP C1C[C@H]2C[C@H](N3CCC(C4CC[NH2+]CC4)CC3)C[C@@H]1[NH2+]2 ZINC001246798730 948446955 /nfs/dbraw/zinc/44/69/55/948446955.db2.gz XXLZRBNLQPGAHU-BJWYYQGGSA-N 2 3 277.456 1.981 20 0 CDADHP CC(C)[C@H]1C[C@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCN1 ZINC001246931011 948527191 /nfs/dbraw/zinc/52/71/91/948527191.db2.gz MEDYOVNWQPYUGG-QKPAOTATSA-N 2 3 265.445 1.694 20 0 CDADHP CC(C)[C@H]1C[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCN1 ZINC001246931011 948527195 /nfs/dbraw/zinc/52/71/95/948527195.db2.gz MEDYOVNWQPYUGG-QKPAOTATSA-N 2 3 265.445 1.694 20 0 CDADHP CC[C@H]1C[C@@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCN1 ZINC001246935613 948528596 /nfs/dbraw/zinc/52/85/96/948528596.db2.gz VZKRVLJMQVVSKC-XGUBFFRZSA-N 2 3 251.418 1.448 20 0 CDADHP CC[C@H]1C[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCN1 ZINC001246935613 948528601 /nfs/dbraw/zinc/52/86/01/948528601.db2.gz VZKRVLJMQVVSKC-XGUBFFRZSA-N 2 3 251.418 1.448 20 0 CDADHP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CCN1 ZINC001246972819 948550945 /nfs/dbraw/zinc/55/09/45/948550945.db2.gz FOIRBKFQBZOOSY-QRTUWBSPSA-N 2 3 265.445 1.822 20 0 CDADHP CC(C)(C)[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CCN1 ZINC001246972819 948550950 /nfs/dbraw/zinc/55/09/50/948550950.db2.gz FOIRBKFQBZOOSY-QRTUWBSPSA-N 2 3 265.445 1.822 20 0 CDADHP C[C@@H]1C[C@H](C[N@@H+]2C[C@H]3CCC[C@@]3(CN)C2)CC[NH2+]1 ZINC001549088330 968007619 /nfs/dbraw/zinc/00/76/19/968007619.db2.gz RAHPXRKIDRVUOY-KBUPBQIOSA-N 2 3 251.418 1.435 20 0 CDADHP C[C@@H]1C[C@H](C[N@H+]2C[C@H]3CCC[C@@]3(CN)C2)CC[NH2+]1 ZINC001549088330 968007633 /nfs/dbraw/zinc/00/76/33/968007633.db2.gz RAHPXRKIDRVUOY-KBUPBQIOSA-N 2 3 251.418 1.435 20 0 CDADHP [NH3+]C[C@@H]1CCC[C@H]1NCc1cccc2c1CC[NH2+]C2 ZINC000635007598 360658452 /nfs/dbraw/zinc/65/84/52/360658452.db2.gz FBMQMJXUGPUEPR-BLLLJJGKSA-N 2 3 259.397 1.549 20 0 CDADHP C[C@]1(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)CC[NH2+]C1 ZINC000567870855 371177681 /nfs/dbraw/zinc/17/76/81/371177681.db2.gz RZCAMFMLUOPLEI-JYJNAYRXSA-N 2 3 281.444 1.204 20 0 CDADHP C1[C@@H](N[C@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)[C@@H]1C1CC[NH2+]CC1 ZINC000415001134 371960704 /nfs/dbraw/zinc/96/07/04/371960704.db2.gz CBCFBOQYUOOLQP-QUSNUVHPSA-N 2 3 277.456 1.885 20 0 CDADHP C1CC2(C1)C[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCN2 ZINC000647547724 390995341 /nfs/dbraw/zinc/99/53/41/390995341.db2.gz ACYAXLJOOPMTNE-KBUPBQIOSA-N 2 3 263.429 1.639 20 0 CDADHP C(C[NH+]1CCCC1)OC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346988479 391381463 /nfs/dbraw/zinc/38/14/63/391381463.db2.gz RBRIVDRQQVSHSL-MRXNPFEDSA-N 2 3 295.471 1.563 20 0 CDADHP C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)[C@H]1CCCC[NH2+]1 ZINC000422982876 392273384 /nfs/dbraw/zinc/27/33/84/392273384.db2.gz XXOYUJCQBMHYOK-HRCADAONSA-N 2 3 283.460 1.344 20 0 CDADHP C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)[C@H]1CCCC[NH2+]1 ZINC000422982876 392273392 /nfs/dbraw/zinc/27/33/92/392273392.db2.gz XXOYUJCQBMHYOK-HRCADAONSA-N 2 3 283.460 1.344 20 0 CDADHP CC[C@H](NCC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423089436 392334494 /nfs/dbraw/zinc/33/44/94/392334494.db2.gz SDMKOTNTQYLXTM-HOTGVXAUSA-N 2 3 265.445 1.981 20 0 CDADHP CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@@H]1CCCN1 ZINC000423089436 392334503 /nfs/dbraw/zinc/33/45/03/392334503.db2.gz SDMKOTNTQYLXTM-HOTGVXAUSA-N 2 3 265.445 1.981 20 0 CDADHP C([C@H]1CCC2(CNC2)O1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662292675 414618460 /nfs/dbraw/zinc/61/84/60/414618460.db2.gz HLIXFLRRQRUHFJ-JKSUJKDBSA-N 2 3 293.455 1.219 20 0 CDADHP CN(C)CC[NH+]1CCC(C[NH2+]CCNC(C)(C)C)CC1 ZINC000415120985 289152594 /nfs/dbraw/zinc/15/25/94/289152594.db2.gz YMERUKJIIHVRIC-UHFFFAOYSA-N 2 3 284.492 1.238 20 0 CDADHP C[C@@H](C[NH3+])CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000666825444 482938357 /nfs/dbraw/zinc/93/83/57/482938357.db2.gz DXEVIBPBIIOHJJ-HNNXBMFYSA-N 2 3 291.439 1.846 20 0 CDADHP CN1[C@@H]2CC[C@H]1CC([NH2+]CCCC[NH+]1CCN(C)CC1)C2 ZINC000774121251 575182776 /nfs/dbraw/zinc/18/27/76/575182776.db2.gz GIMLWAPULCZTKB-ALOPSCKCSA-N 2 3 294.487 1.229 20 0 CDADHP CC[NH+](CC)C[C@@H]1CCN(CC2CC[NH+](C)CC2)C1 ZINC000892121777 617492436 /nfs/dbraw/zinc/49/24/36/617492436.db2.gz QSOVIICGXMWBTR-INIZCTEOSA-N 2 3 267.461 1.992 20 0 CDADHP CC[NH2+]CC1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904301284 626242716 /nfs/dbraw/zinc/24/27/16/626242716.db2.gz JPNDTUYOHLUMKS-OAHLLOKOSA-N 2 3 253.434 1.698 20 0 CDADHP CC[NH2+]CC1CC[NH+](C[C@]2(C)CCCNC2)CC1 ZINC000904301284 626242718 /nfs/dbraw/zinc/24/27/18/626242718.db2.gz JPNDTUYOHLUMKS-OAHLLOKOSA-N 2 3 253.434 1.698 20 0 CDADHP C[C@]1(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CCC[NH2+]C1 ZINC000904373130 626268924 /nfs/dbraw/zinc/26/89/24/626268924.db2.gz BBWCWKXSVGHOPL-YVSFHVDLSA-N 2 3 295.471 1.594 20 0 CDADHP CC[N@@H+]1CC[C@@H](N2CCN(CC3CC[NH+](C)CC3)CC2)C1 ZINC001173374281 912512566 /nfs/dbraw/zinc/51/25/66/912512566.db2.gz JWKKOYQFVYNFOE-QGZVFWFLSA-N 2 3 294.487 1.040 20 0 CDADHP CC[N@H+]1CC[C@@H](N2CCN(CC3CC[NH+](C)CC3)CC2)C1 ZINC001173374281 912512580 /nfs/dbraw/zinc/51/25/80/912512580.db2.gz JWKKOYQFVYNFOE-QGZVFWFLSA-N 2 3 294.487 1.040 20 0 CDADHP CCC1(N2CCC2)CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000886859914 930977661 /nfs/dbraw/zinc/97/76/61/930977661.db2.gz KCENHHNBYWJKQS-OAHLLOKOSA-N 2 3 265.445 1.936 20 0 CDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC[C@](C)(C[NH3+])C1 ZINC001161488044 938906081 /nfs/dbraw/zinc/90/60/81/938906081.db2.gz JRDXHSWFBRODLR-GOEBONIOSA-N 2 3 298.475 1.069 20 0 CDADHP C[C@@H]1CC([NH2+]C[C@H]2CCC[NH2+]C[C@H]2C)C[C@@H](C)N1 ZINC001246096815 947946192 /nfs/dbraw/zinc/94/61/92/947946192.db2.gz LSGWTPIVWONKPT-AAVRWANBSA-N 2 3 253.434 1.741 20 0 CDADHP C[C@@H]1[C@H](CN)CCC[N@@H+]1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246566659 948287554 /nfs/dbraw/zinc/28/75/54/948287554.db2.gz TYKXOPMMXKBFQF-FXUDXRNXSA-N 2 3 265.445 1.968 20 0 CDADHP C[C@@H]1[C@H](CN)CCC[N@H+]1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246566659 948287563 /nfs/dbraw/zinc/28/75/63/948287563.db2.gz TYKXOPMMXKBFQF-FXUDXRNXSA-N 2 3 265.445 1.968 20 0 CDADHP [NH3+]C[C@]1(F)CCCCN([C@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246581490 948306599 /nfs/dbraw/zinc/30/65/99/948306599.db2.gz QAVCNUVJUZCOIN-GXTWGEPZSA-N 2 3 255.381 1.281 20 0 CDADHP C[C@@H]1C[C@@H]([N@H+](C)CCC2CC[NH2+]CC2)C[C@H](C)N1 ZINC001246796885 948443293 /nfs/dbraw/zinc/44/32/93/948443293.db2.gz NNLHAAIZMVRNNO-AGGWBTHJSA-N 2 3 253.434 1.837 20 0 CDADHP C[C@@H]1C[C@@H]([N@@H+](C)CCC2CC[NH2+]CC2)C[C@H](C)N1 ZINC001246796885 948443297 /nfs/dbraw/zinc/44/32/97/948443297.db2.gz NNLHAAIZMVRNNO-AGGWBTHJSA-N 2 3 253.434 1.837 20 0 CDADHP [NH2+]=C(NCCCC[NH3+])N[C@H]1CCCN(C2CCCC2)C1 ZINC001256900138 948447245 /nfs/dbraw/zinc/44/72/45/948447245.db2.gz JAEGYIQLKFSXKZ-ZDUSSCGKSA-N 2 3 281.448 1.246 20 0 CDADHP C([C@H]1CCC[NH2+]C1)N(C1CC1)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246972572 948549836 /nfs/dbraw/zinc/54/98/36/948549836.db2.gz KUOSMLRTJIPZIT-JSGCOSHPSA-N 2 3 281.469 1.298 20 0 CDADHP [NH3+]C[C@@]12CCC[C@@H]1CN(Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC001549113243 968025612 /nfs/dbraw/zinc/02/56/12/968025612.db2.gz PFTDQIHCXQXJJT-QZTJIDSGSA-N 2 3 285.435 1.893 20 0 CDADHP C[NH+]1CCC2(CCC[N@H+](CC3(CN)CCC3)C2)CC1 ZINC001578525740 1171941527 /nfs/dbraw/zinc/94/15/27/1171941527.db2.gz OLWIIPQPYMGOTJ-UHFFFAOYSA-N 2 3 265.445 1.923 20 0 CDADHP C[NH+]1CCC2(CCC[N@@H+](CC3(CN)CCC3)C2)CC1 ZINC001578525740 1171941534 /nfs/dbraw/zinc/94/15/34/1171941534.db2.gz OLWIIPQPYMGOTJ-UHFFFAOYSA-N 2 3 265.445 1.923 20 0 CDADHP COc1ccc([C@@H](C[NH3+])CN2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000420304536 244053707 /nfs/dbraw/zinc/05/37/07/244053707.db2.gz YDLQRODOWNEUCT-CJNGLKHVSA-N 2 3 291.439 1.797 20 0 CDADHP CN1CCC(N2CC[C@@H]([NH2+]C3CCC(C[NH3+])CC3)C2)CC1 ZINC000643452308 370467447 /nfs/dbraw/zinc/46/74/47/370467447.db2.gz FAHPRTZKOSPXTL-UYSNPLJNSA-N 2 3 294.487 1.262 20 0 CDADHP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CNC1 ZINC000422879712 245366897 /nfs/dbraw/zinc/36/68/97/245366897.db2.gz KTTBWAWDJNJUQF-RBSFLKMASA-N 2 3 267.461 1.942 20 0 CDADHP C(CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000420398571 397702775 /nfs/dbraw/zinc/70/27/75/397702775.db2.gz NGMKFPWLEJJBHY-XHSDSOJGSA-N 2 3 265.445 1.840 20 0 CDADHP N[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000665298919 414038331 /nfs/dbraw/zinc/03/83/31/414038331.db2.gz CGSNTFWMHMWJRJ-HZPDHXFCSA-N 2 3 265.445 1.968 20 0 CDADHP C([C@H]1CC[NH2+]C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290138 414617953 /nfs/dbraw/zinc/61/79/53/414617953.db2.gz LBQGNIVULGTQDI-DZGCQCFKSA-N 2 3 251.418 1.308 20 0 CDADHP NC[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000423086007 295257013 /nfs/dbraw/zinc/25/70/13/295257013.db2.gz LEZWJOBNLYCYAG-DZGCQCFKSA-N 2 3 251.418 1.578 20 0 CDADHP C[C@@H]1C[C@@H](C)[N@H+](CCC2CC[NH2+]CC2)C[C@H]1CN ZINC000422635338 297235009 /nfs/dbraw/zinc/23/50/09/297235009.db2.gz LJLQREOWMVIJKR-UMVBOHGHSA-N 2 3 253.434 1.681 20 0 CDADHP C[C@@H]1C[C@@H](C)[N@@H+](CCC2CC[NH2+]CC2)C[C@H]1CN ZINC000422635338 297235011 /nfs/dbraw/zinc/23/50/11/297235011.db2.gz LJLQREOWMVIJKR-UMVBOHGHSA-N 2 3 253.434 1.681 20 0 CDADHP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCC1=CC[NH2+]CC1 ZINC000423340629 304858599 /nfs/dbraw/zinc/85/85/99/304858599.db2.gz BYXNQJDBFCAKOM-FUHWJXTLSA-N 2 3 299.418 1.752 20 0 CDADHP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCCC[C@H]2N)CC1 ZINC000422857069 535694147 /nfs/dbraw/zinc/69/41/47/535694147.db2.gz GTLWPJSOSUTRGD-IAGOWNOFSA-N 2 3 296.503 1.654 20 0 CDADHP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)C1CNC1 ZINC000925857687 617895480 /nfs/dbraw/zinc/89/54/80/617895480.db2.gz HVZJFKHQKIXGME-LRVUVFPRSA-N 2 3 251.418 1.591 20 0 CDADHP CN(C)[C@@H]1CCC[N@H+](CC2CC[NH+](C)CC2)CC1 ZINC000894038535 618278653 /nfs/dbraw/zinc/27/86/53/618278653.db2.gz ZKDUGYVMSWAEGG-OAHLLOKOSA-N 2 3 253.434 1.744 20 0 CDADHP CN(C)[C@@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)CC1 ZINC000894038535 618278663 /nfs/dbraw/zinc/27/86/63/618278663.db2.gz ZKDUGYVMSWAEGG-OAHLLOKOSA-N 2 3 253.434 1.744 20 0 CDADHP CCN(C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H]1CCC[NH2+]CC1 ZINC000903745327 626070421 /nfs/dbraw/zinc/07/04/21/626070421.db2.gz COYHWUBUZORDFN-JYJNAYRXSA-N 2 3 281.444 1.219 20 0 CDADHP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cc4c(s3)CC[NH2+]C4)C[C@@H]21 ZINC000873200492 731255223 /nfs/dbraw/zinc/25/52/23/731255223.db2.gz BHNWVXWTHKQEHR-BYCMXARLSA-N 2 3 291.464 1.953 20 0 CDADHP C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(CC[NH3+])cc1 ZINC000817947601 732947718 /nfs/dbraw/zinc/94/77/18/732947718.db2.gz BVTWQXUTEVYRID-BBRMVZONSA-N 2 3 261.413 1.666 20 0 CDADHP CN(C)CC[NH+]1CCC(N[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925605199 733041142 /nfs/dbraw/zinc/04/11/42/733041142.db2.gz DRENJWBAKWOWMT-INIZCTEOSA-N 2 3 294.487 1.277 20 0 CDADHP CC(C)N(CC1(F)CC[NH2+]CC1)[C@H]1CCC[NH2+]CC1 ZINC001206584230 936614285 /nfs/dbraw/zinc/61/42/85/936614285.db2.gz XSCOYWZNEOUTOK-AWEZNQCLSA-N 2 3 271.424 1.931 20 0 CDADHP C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C[C@@H]1CN ZINC001246552560 931735549 /nfs/dbraw/zinc/73/55/49/931735549.db2.gz QDRVEONXCNIMTK-QXSJWSMHSA-N 2 3 265.445 1.825 20 0 CDADHP C[C@@H]1CC[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C[C@@H]1CN ZINC001246552560 931735551 /nfs/dbraw/zinc/73/55/51/931735551.db2.gz QDRVEONXCNIMTK-QXSJWSMHSA-N 2 3 265.445 1.825 20 0 CDADHP C[NH2+]C1CCC([N@@H+]2CCC[C@@]3(CCCNC3)C2)CC1 ZINC001246606416 932072990 /nfs/dbraw/zinc/07/29/90/932072990.db2.gz FGKMNLLWTJKUJK-UYSNPLJNSA-N 2 3 265.445 1.983 20 0 CDADHP C[NH2+]C1CCC([N@H+]2CCC[C@@]3(CCCNC3)C2)CC1 ZINC001246606416 932073003 /nfs/dbraw/zinc/07/30/03/932073003.db2.gz FGKMNLLWTJKUJK-UYSNPLJNSA-N 2 3 265.445 1.983 20 0 CDADHP [NH3+]CCC[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccccc1 ZINC000925613922 932914201 /nfs/dbraw/zinc/91/42/01/932914201.db2.gz VALRVMWRAWKRKQ-DLBZAZTESA-N 2 3 291.439 1.513 20 0 CDADHP NC[C@H]1CCCC[N@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001206606218 934882867 /nfs/dbraw/zinc/88/28/67/934882867.db2.gz HGAGZWNJXQQLCX-CQSZACIVSA-N 2 3 265.445 1.827 20 0 CDADHP NC[C@H]1CCCC[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001206606218 934882872 /nfs/dbraw/zinc/88/28/72/934882872.db2.gz HGAGZWNJXQQLCX-CQSZACIVSA-N 2 3 265.445 1.827 20 0 CDADHP C[C@H]1CC[C@H](C[NH3+])CN1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001206772159 940086214 /nfs/dbraw/zinc/08/62/14/940086214.db2.gz YUWGFKZMHJDBQZ-DZGCQCFKSA-N 2 3 273.424 1.892 20 0 CDADHP CN(C)CC(C)(C)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001207280754 940174566 /nfs/dbraw/zinc/17/45/66/940174566.db2.gz VFOBLHKGUUKIPF-KGLIPLIRSA-N 2 3 253.434 1.458 20 0 CDADHP CN(C)CC(C)(C)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001207280754 940174567 /nfs/dbraw/zinc/17/45/67/940174567.db2.gz VFOBLHKGUUKIPF-KGLIPLIRSA-N 2 3 253.434 1.458 20 0 CDADHP CN(C)CC(C)(C)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001207280754 940174568 /nfs/dbraw/zinc/17/45/68/940174568.db2.gz VFOBLHKGUUKIPF-KGLIPLIRSA-N 2 3 253.434 1.458 20 0 CDADHP CN(C)CC(C)(C)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001207280754 940174569 /nfs/dbraw/zinc/17/45/69/940174569.db2.gz VFOBLHKGUUKIPF-KGLIPLIRSA-N 2 3 253.434 1.458 20 0 CDADHP CC[N@H+]([C@H]1CCOC1)C1CCN(CC2CC[NH2+]CC2)CC1 ZINC001207439375 940196724 /nfs/dbraw/zinc/19/67/24/940196724.db2.gz QEARYENGPTXDLV-KRWDZBQOSA-N 2 3 295.471 1.561 20 0 CDADHP CC[N@@H+]([C@H]1CCOC1)C1CCN(CC2CC[NH2+]CC2)CC1 ZINC001207439375 940196726 /nfs/dbraw/zinc/19/67/26/940196726.db2.gz QEARYENGPTXDLV-KRWDZBQOSA-N 2 3 295.471 1.561 20 0 CDADHP C[C@@H]1CC[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCNC(C)(C)C1 ZINC001246106950 947957782 /nfs/dbraw/zinc/95/77/82/947957782.db2.gz GKXKHXYVXMAGMW-MGPQQGTHSA-N 2 3 253.434 1.742 20 0 CDADHP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC001246116819 947968361 /nfs/dbraw/zinc/96/83/61/947968361.db2.gz XFKAFEQHKWBTLS-FVPDABNVSA-N 2 3 265.445 1.837 20 0 CDADHP CC1(C)C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCN1 ZINC001246204877 948026008 /nfs/dbraw/zinc/02/60/08/948026008.db2.gz HYWXZKJEUIVOPG-IHRRRGAJSA-N 2 3 253.434 1.872 20 0 CDADHP CC(C)(C)[C@@H]1C[C@H](N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC001246257444 948062463 /nfs/dbraw/zinc/06/24/63/948062463.db2.gz SYORKZINALPHTH-PNBKFKSVSA-N 2 3 295.471 1.654 20 0 CDADHP [NH3+]C1(CC2CCC2)CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246383163 948146146 /nfs/dbraw/zinc/14/61/46/948146146.db2.gz HBLGGDYXJWASCW-HNNXBMFYSA-N 2 3 292.471 1.064 20 0 CDADHP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](C[NH3+])C2)CCN1 ZINC001246457201 948183253 /nfs/dbraw/zinc/18/32/53/948183253.db2.gz OLGCLWFHSPMUJX-LXTVHRRPSA-N 2 3 253.434 1.872 20 0 CDADHP [NH3+]C[C@@]1(O)CCCN([C@@H]2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC001246542232 948244427 /nfs/dbraw/zinc/24/44/27/948244427.db2.gz JQLGGKDOMNAOLS-NVXWUHKLSA-N 2 3 295.471 1.617 20 0 CDADHP C1C[C@]2(C[NH2+]1)CCC[C@H]([N@@H+]1CC[C@]3(C1)CCCNC3)C2 ZINC001246601725 948338725 /nfs/dbraw/zinc/33/87/25/948338725.db2.gz GMAPVDQJBPCTLX-GVDBMIGSSA-N 2 3 277.456 1.984 20 0 CDADHP C1C[C@]2(C[NH2+]1)CCC[C@H]([N@H+]1CC[C@]3(C1)CCCNC3)C2 ZINC001246601725 948338737 /nfs/dbraw/zinc/33/87/37/948338737.db2.gz GMAPVDQJBPCTLX-GVDBMIGSSA-N 2 3 277.456 1.984 20 0 CDADHP C[NH2+]CC1CCN([C@@H]2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC001246782531 948434985 /nfs/dbraw/zinc/43/49/85/948434985.db2.gz SRVHXEPNGBZJCM-HUUCEWRRSA-N 2 3 253.434 1.694 20 0 CDADHP C1NCC12CCC[N@@H+]([C@@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246789660 948439189 /nfs/dbraw/zinc/43/91/89/948439189.db2.gz DUAMPOBIPAQKBY-CABCVRRESA-N 2 3 263.429 1.594 20 0 CDADHP C1NCC12CCC[N@H+]([C@@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246789660 948439199 /nfs/dbraw/zinc/43/91/99/948439199.db2.gz DUAMPOBIPAQKBY-CABCVRRESA-N 2 3 263.429 1.594 20 0 CDADHP C[C@@H]1CC[C@H](N2CCC(N3CCC([NH3+])CC3)CC2)C[NH2+]1 ZINC001246967656 948546880 /nfs/dbraw/zinc/54/68/80/948546880.db2.gz IQQCOBPFNIWELQ-CJNGLKHVSA-N 2 3 280.460 1.014 20 0 CDADHP CC[NH+](CC)CCCCNC[C@H](O)C[NH2+]C(C)(C)C ZINC001253403780 951885147 /nfs/dbraw/zinc/88/51/47/951885147.db2.gz JIYXSBHXYUGDPX-AWEZNQCLSA-N 2 3 273.465 1.447 20 0 CDADHP CC[NH+](CC)CCCC[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253403780 951885153 /nfs/dbraw/zinc/88/51/53/951885153.db2.gz JIYXSBHXYUGDPX-AWEZNQCLSA-N 2 3 273.465 1.447 20 0 CDADHP CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414707391 241342602 /nfs/dbraw/zinc/34/26/02/241342602.db2.gz NUWDWVLYZSYETR-ZNMIVQPWSA-N 2 3 253.434 1.648 20 0 CDADHP CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414707391 241342605 /nfs/dbraw/zinc/34/26/05/241342605.db2.gz NUWDWVLYZSYETR-ZNMIVQPWSA-N 2 3 253.434 1.648 20 0 CDADHP COc1ccc([C@@H](C[NH3+])CN2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000420304535 244053544 /nfs/dbraw/zinc/05/35/44/244053544.db2.gz YDLQRODOWNEUCT-BBRMVZONSA-N 2 3 291.439 1.797 20 0 CDADHP CCN1CC[NH+](CCCC[NH2+][C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000246867167 377004925 /nfs/dbraw/zinc/00/49/25/377004925.db2.gz DEWXOPRTWZZNDY-IRXDYDNUSA-N 2 3 296.503 1.476 20 0 CDADHP [NH3+]CC1(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647544576 390986327 /nfs/dbraw/zinc/98/63/27/390986327.db2.gz ZNZNNQNVHLNNMC-ZIAGYGMSSA-N 2 3 251.418 1.437 20 0 CDADHP C([C@H]1CC[NH2+]C1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975069 391366605 /nfs/dbraw/zinc/36/66/05/391366605.db2.gz JMZSKJDKHBFZCE-ZNMIVQPWSA-N 2 3 251.418 1.308 20 0 CDADHP c1cc(N2CCN(CCCC3CC[NH2+]CC3)CC2)cc[nH+]1 ZINC000649414467 392191333 /nfs/dbraw/zinc/19/13/33/392191333.db2.gz AAQDKDQVNRQZCP-UHFFFAOYSA-N 2 3 288.439 1.983 20 0 CDADHP C(CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000420384498 397701856 /nfs/dbraw/zinc/70/18/56/397701856.db2.gz DYOVLDGCKRQFSB-CVEARBPZSA-N 2 3 265.445 1.840 20 0 CDADHP CC[NH+]1CCN(c2ccccc2CNCC[C@H](C)[NH3+])CC1 ZINC000414819214 279375668 /nfs/dbraw/zinc/37/56/68/279375668.db2.gz HAAVRQIFXNKBLN-HNNXBMFYSA-N 2 3 290.455 1.655 20 0 CDADHP CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422835871 289309064 /nfs/dbraw/zinc/30/90/64/289309064.db2.gz JHFRBVRAHOSQKQ-PFSRBDOWSA-N 2 3 253.434 1.966 20 0 CDADHP [NH3+][C@@H]1CCO[C@H](C2CCN(C[C@H]3CCCC[NH2+]C3)CC2)C1 ZINC000903760670 626081901 /nfs/dbraw/zinc/08/19/01/626081901.db2.gz JGLREIAUYOMFEC-UAGQMJEPSA-N 2 3 295.471 1.594 20 0 CDADHP c1cc(N2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)CC2)ccn1 ZINC001580891163 1172566337 /nfs/dbraw/zinc/56/63/37/1172566337.db2.gz UNRXJAUPOAUSTB-OAHLLOKOSA-N 2 3 274.412 1.593 20 0 CDADHP c1cc(N2CCC[N@H+](CC[C@H]3CC[NH2+]C3)CC2)ccn1 ZINC001580891163 1172566342 /nfs/dbraw/zinc/56/63/42/1172566342.db2.gz UNRXJAUPOAUSTB-OAHLLOKOSA-N 2 3 274.412 1.593 20 0 CDADHP CCC[NH+]1CCC(NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000873291169 734865572 /nfs/dbraw/zinc/86/55/72/734865572.db2.gz VCNCGASHGVIECC-MRXNPFEDSA-N 2 3 295.471 1.609 20 0 CDADHP C[C@@H]1CC([N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)C[C@@H](C)N1 ZINC001246563532 931792011 /nfs/dbraw/zinc/79/20/11/931792011.db2.gz XGRRZEBSNMOLML-DGAVXFQQSA-N 2 3 253.434 1.822 20 0 CDADHP C[C@@H]1CC([N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)C[C@@H](C)N1 ZINC001246563532 931792014 /nfs/dbraw/zinc/79/20/14/931792014.db2.gz XGRRZEBSNMOLML-DGAVXFQQSA-N 2 3 253.434 1.822 20 0 CDADHP C[NH+]1CCC(C)(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000381072143 935504010 /nfs/dbraw/zinc/50/40/10/935504010.db2.gz RCSQNTXFDXRTPE-LXFSFDBISA-N 2 3 263.429 1.304 20 0 CDADHP C[NH+]1CCC(CN2CCC([NH+]3CCC3)CC2)CC1 ZINC001207402711 940190278 /nfs/dbraw/zinc/19/02/78/940190278.db2.gz MIJTUWULLDUYPW-UHFFFAOYSA-N 2 3 251.418 1.498 20 0 CDADHP CCC[N@H+]1C[C@H]2CN(CCC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001207487779 940207362 /nfs/dbraw/zinc/20/73/62/940207362.db2.gz RHYBIJNYTYRFCS-CALCHBBNSA-N 2 3 279.472 1.992 20 0 CDADHP CCC[N@@H+]1C[C@H]2CN(CCC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001207487779 940207364 /nfs/dbraw/zinc/20/73/64/940207364.db2.gz RHYBIJNYTYRFCS-CALCHBBNSA-N 2 3 279.472 1.992 20 0 CDADHP c1c(CN2CC3(C2)CCC[NH2+]CC3)sc2c1C[NH2+]CC2 ZINC001236010216 944370654 /nfs/dbraw/zinc/37/06/54/944370654.db2.gz SYAKXDYGYYAWQV-UHFFFAOYSA-N 2 3 291.464 1.969 20 0 CDADHP C[C@H]1CC[C@H](NCC2(CC3CC3)CC[NH2+]CC2)C[NH2+]1 ZINC001246383718 948145616 /nfs/dbraw/zinc/14/56/16/948145616.db2.gz ILUHNCDRAYZDMC-ZFWWWQNUSA-N 2 3 265.445 1.886 20 0 CDADHP C[C@@H]1C[C@H](NCCNCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001246405373 948158227 /nfs/dbraw/zinc/15/82/27/948158227.db2.gz NYSSZUXCPJANSQ-NVXWUHKLSA-N 2 3 290.455 1.177 20 0 CDADHP C[C@@H]1C[C@H](NCCNCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001246405373 948158233 /nfs/dbraw/zinc/15/82/33/948158233.db2.gz NYSSZUXCPJANSQ-NVXWUHKLSA-N 2 3 290.455 1.177 20 0 CDADHP F[C@H]1C[NH2+]CC[C@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246474698 948191922 /nfs/dbraw/zinc/19/19/22/948191922.db2.gz AKWOMPMNHVEVOL-QNSTZXKLSA-N 2 3 255.381 1.197 20 0 CDADHP C1=C[C@H](NC2CCC3(CCC[NH2+]C3)CC2)[C@H]2C[NH2+]C[C@@H]12 ZINC001246473040 948193052 /nfs/dbraw/zinc/19/30/52/948193052.db2.gz IRCXTFONYGHKSV-NZZOYKRFSA-N 2 3 275.440 1.662 20 0 CDADHP CC[C@@H]1C[C@H](N2CCC[C@@](O)(C[NH3+])CC2)C[C@H](CC)[NH2+]1 ZINC001246546032 948253196 /nfs/dbraw/zinc/25/31/96/948253196.db2.gz XVZJHKDUCSWTCM-JJXSEGSLSA-N 2 3 283.460 1.471 20 0 CDADHP C[C@@H]1[C@H]([NH3+])CCN1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246551597 948254733 /nfs/dbraw/zinc/25/47/33/948254733.db2.gz UIGQSMCRAOOHPX-FEWQNLEASA-N 2 3 251.418 1.720 20 0 CDADHP C[NH2+]C1CCC(N2CCC(F)(F)[C@H](C[NH3+])C2)CC1 ZINC001246555692 948261857 /nfs/dbraw/zinc/26/18/57/948261857.db2.gz HNLJZSUCDBGNSV-VOMCLLRMSA-N 2 3 261.360 1.433 20 0 CDADHP CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC[C@@H](C[NH3+])C1)C2 ZINC001246580890 948307895 /nfs/dbraw/zinc/30/78/95/948307895.db2.gz IQOJKAWRILOJSI-BYNSBNAKSA-N 2 3 251.418 1.672 20 0 CDADHP CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC[C@@H](C[NH3+])C1)C2 ZINC001246580890 948307900 /nfs/dbraw/zinc/30/79/00/948307900.db2.gz IQOJKAWRILOJSI-BYNSBNAKSA-N 2 3 251.418 1.672 20 0 CDADHP CCCC[C@@H]1C[C@H](N2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])CC[NH2+]1 ZINC001246655810 948390944 /nfs/dbraw/zinc/39/09/44/948390944.db2.gz AQWYGVAHJUOWTL-QRTUWBSPSA-N 2 3 251.418 1.719 20 0 CDADHP CC[C@@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])C[C@H](CC)[NH2+]1 ZINC001246664490 948395840 /nfs/dbraw/zinc/39/58/40/948395840.db2.gz YEPSPUJWZMANCW-LOVFCKMRSA-N 2 3 251.418 1.717 20 0 CDADHP C[NH+]1CCC(CCCNC[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253409451 951894539 /nfs/dbraw/zinc/89/45/39/951894539.db2.gz SPEGWUACRHDNIG-HNNXBMFYSA-N 2 3 285.476 1.447 20 0 CDADHP C[NH+]1CCC(CCC[NH2+]C[C@H](O)CNC(C)(C)C)CC1 ZINC001253409451 951894544 /nfs/dbraw/zinc/89/45/44/951894544.db2.gz SPEGWUACRHDNIG-HNNXBMFYSA-N 2 3 285.476 1.447 20 0 CDADHP N[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H]2C2CC[NH2+]CC2)C12CCC2 ZINC001553024666 964488981 /nfs/dbraw/zinc/48/89/81/964488981.db2.gz MZYQHSOFXVLNOG-APIJFGDWSA-N 2 3 279.428 1.003 20 0 CDADHP [NH3+][C@@H]1C[C@H](N[C@@H]2CCO[C@@H]2C2CC[NH2+]CC2)C12CCC2 ZINC001553024666 964488986 /nfs/dbraw/zinc/48/89/86/964488986.db2.gz MZYQHSOFXVLNOG-APIJFGDWSA-N 2 3 279.428 1.003 20 0 CDADHP CC(C)(C[NH3+])CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001575315091 1171150904 /nfs/dbraw/zinc/15/09/04/1171150904.db2.gz HIBDUIBRWDDQAS-INIZCTEOSA-N 2 3 291.439 1.328 20 0 CDADHP CC(C)(C[NH3+])CNCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001575315091 1171150914 /nfs/dbraw/zinc/15/09/14/1171150914.db2.gz HIBDUIBRWDDQAS-INIZCTEOSA-N 2 3 291.439 1.328 20 0 CDADHP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H]1CCCNC1 ZINC000643503400 539080634 /nfs/dbraw/zinc/08/06/34/539080634.db2.gz NOCHWTXJUUXHDD-GZBFAFLISA-N 2 3 253.434 1.694 20 0 CDADHP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2c(c1)CNCC2 ZINC000635003460 360645964 /nfs/dbraw/zinc/64/59/64/360645964.db2.gz JSAJRVNCUDOWAV-XOKHGSTOSA-N 2 3 285.435 1.810 20 0 CDADHP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)C1CNC1 ZINC000422881089 245367306 /nfs/dbraw/zinc/36/73/06/245367306.db2.gz NLMYREZAQKFGOQ-UONOGXRCSA-N 2 3 253.434 1.696 20 0 CDADHP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1CNC1 ZINC000422881089 245367308 /nfs/dbraw/zinc/36/73/08/245367308.db2.gz NLMYREZAQKFGOQ-UONOGXRCSA-N 2 3 253.434 1.696 20 0 CDADHP C[C@H](CCC[NH3+])[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000422907130 245393642 /nfs/dbraw/zinc/39/36/42/245393642.db2.gz BCOANTZDYRRHCJ-KFWWJZLASA-N 2 3 271.449 1.593 20 0 CDADHP C[C@H](NC[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCCC[NH2+]1 ZINC000333323353 205217691 /nfs/dbraw/zinc/21/76/91/205217691.db2.gz UVZBGQBHGXPONK-AJNGGQMLSA-N 2 3 253.434 1.872 20 0 CDADHP CC1(C)CCC[NH2+][C@@H]1CNC1CCC(C[NH3+])CC1 ZINC000414933259 391653988 /nfs/dbraw/zinc/65/39/88/391653988.db2.gz UGKLDFTVTHJSIS-JXQTWKCFSA-N 2 3 253.434 1.872 20 0 CDADHP C[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)[C@H]1CCN ZINC000652356233 424302068 /nfs/dbraw/zinc/30/20/68/424302068.db2.gz XVVANKHLWVEQNM-HIFRSBDPSA-N 2 3 253.434 1.825 20 0 CDADHP C[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)[C@H]1CCN ZINC000652356233 424302074 /nfs/dbraw/zinc/30/20/74/424302074.db2.gz XVVANKHLWVEQNM-HIFRSBDPSA-N 2 3 253.434 1.825 20 0 CDADHP CCN(CC)CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401133658 424427999 /nfs/dbraw/zinc/42/79/99/424427999.db2.gz PIIRNPXBOUKPJU-RRFJBIMHSA-N 2 3 253.434 1.696 20 0 CDADHP CC(C)N(C)CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401148843 424428082 /nfs/dbraw/zinc/42/80/82/424428082.db2.gz WBUDZRSKFYODIU-RBSFLKMASA-N 2 3 253.434 1.694 20 0 CDADHP C[C@H](C[NH3+])CNCc1ccc(OCC[NH+](C)C)cc1 ZINC000666825518 482925519 /nfs/dbraw/zinc/92/55/19/482925519.db2.gz VRTSCFPSBXUGJS-CYBMUJFWSA-N 2 3 265.401 1.311 20 0 CDADHP C(N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CC[NH+](CC2CC2)CC1 ZINC000925715169 617829209 /nfs/dbraw/zinc/82/92/09/617829209.db2.gz AAFOWFLHFKSUMQ-TXTZMMAHSA-N 2 3 289.467 1.694 20 0 CDADHP C[C@H]([NH3+])[C@@H]1CCCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903716835 626061850 /nfs/dbraw/zinc/06/18/50/626061850.db2.gz UNJMRDZMWVJWPJ-ZNMIVQPWSA-N 2 3 281.444 1.204 20 0 CDADHP CC[C@@H]1CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC[C@H]1[NH3+] ZINC000903747004 626071137 /nfs/dbraw/zinc/07/11/37/626071137.db2.gz NGSSRXMFQVOVQX-RBSFLKMASA-N 2 3 281.444 1.204 20 0 CDADHP C[C@@H]1C[C@@H](CN2CCC([NH2+]C3CCOCC3)CC2)CC[NH2+]1 ZINC000903947948 626163891 /nfs/dbraw/zinc/16/38/91/626163891.db2.gz JFALXHKANNIVGX-CABCVRRESA-N 2 3 295.471 1.608 20 0 CDADHP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cc3c(s2)CCNC3)C1 ZINC000873211496 738447717 /nfs/dbraw/zinc/44/77/17/738447717.db2.gz AGSXGXRMONCOOX-CMPLNLGQSA-N 2 3 265.426 1.611 20 0 CDADHP [NH3+]C[C@H]1CC[C@H](CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925700014 737123043 /nfs/dbraw/zinc/12/30/43/737123043.db2.gz MVMQBCGUFOQOHE-BYTQZNHFSA-N 2 3 263.429 1.338 20 0 CDADHP CN(C)[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000715508792 737881051 /nfs/dbraw/zinc/88/10/51/737881051.db2.gz LCKFKIWJSNKSSU-HUUCEWRRSA-N 2 3 253.434 1.791 20 0 CDADHP COc1ccc([C@@H](C[NH3+])CN2CC[C@H](CC[NH3+])C2)cc1 ZINC000923481648 738769208 /nfs/dbraw/zinc/76/92/08/738769208.db2.gz TXHZBCBBQKQNAB-ZFWWWQNUSA-N 2 3 277.412 1.408 20 0 CDADHP C[N@H+](CC1CC[NH+](C)CC1)C[C@@]1(C)CCCNC1 ZINC000063125157 736432565 /nfs/dbraw/zinc/43/25/65/736432565.db2.gz MJTKSRIPEIIRNB-HNNXBMFYSA-N 2 3 253.434 1.650 20 0 CDADHP C[N@@H+](CC1CC[NH+](C)CC1)C[C@@]1(C)CCCNC1 ZINC000063125157 736432570 /nfs/dbraw/zinc/43/25/70/736432570.db2.gz MJTKSRIPEIIRNB-HNNXBMFYSA-N 2 3 253.434 1.650 20 0 CDADHP [NH3+]CCCCCCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000846220019 737821062 /nfs/dbraw/zinc/82/10/62/737821062.db2.gz IXZSOSJMLQQLSN-OAHLLOKOSA-N 2 3 253.434 1.923 20 0 CDADHP CN(C)[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000715508796 739016599 /nfs/dbraw/zinc/01/65/99/739016599.db2.gz LCKFKIWJSNKSSU-LSDHHAIUSA-N 2 3 253.434 1.791 20 0 CDADHP CN1C[C@@H]2C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]2C1 ZINC001172123341 911307623 /nfs/dbraw/zinc/30/76/23/911307623.db2.gz CIMGYNIJWUENND-FRXHMLBDSA-N 2 3 263.429 1.495 20 0 CDADHP CN1C[C@@H]2C[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]2C1 ZINC001172123341 911307643 /nfs/dbraw/zinc/30/76/43/911307643.db2.gz CIMGYNIJWUENND-FRXHMLBDSA-N 2 3 263.429 1.495 20 0 CDADHP CN1C[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C[C@@H]2C1 ZINC001172123341 911307665 /nfs/dbraw/zinc/30/76/65/911307665.db2.gz CIMGYNIJWUENND-FRXHMLBDSA-N 2 3 263.429 1.495 20 0 CDADHP CN1C[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C[C@@H]2C1 ZINC001172123341 911307687 /nfs/dbraw/zinc/30/76/87/911307687.db2.gz CIMGYNIJWUENND-FRXHMLBDSA-N 2 3 263.429 1.495 20 0 CDADHP C[NH+]1CCC2(CCCN(C[C@@H](O)C[NH+]3CCCC3)C2)CC1 ZINC000799177027 937380944 /nfs/dbraw/zinc/38/09/44/937380944.db2.gz IJFYMSNQTIIGCK-INIZCTEOSA-N 2 3 295.471 1.251 20 0 CDADHP C[C@H]1C[N@H+](C[C@H](O)CNC(C)(C)C)CCC[C@@H]1C[NH3+] ZINC001246025866 930875083 /nfs/dbraw/zinc/87/50/83/930875083.db2.gz DHEHDHCECATWJG-BFHYXJOUSA-N 2 3 271.449 1.042 20 0 CDADHP C[C@H]1C[N@@H+](C[C@H](O)CNC(C)(C)C)CCC[C@@H]1C[NH3+] ZINC001246025866 930875087 /nfs/dbraw/zinc/87/50/87/930875087.db2.gz DHEHDHCECATWJG-BFHYXJOUSA-N 2 3 271.449 1.042 20 0 CDADHP C[C@H]1CN(C[C@H](O)C[NH2+]C(C)(C)C)CCC[C@@H]1C[NH3+] ZINC001246025866 930875094 /nfs/dbraw/zinc/87/50/94/930875094.db2.gz DHEHDHCECATWJG-BFHYXJOUSA-N 2 3 271.449 1.042 20 0 CDADHP CC[C@@H]1C[C@H](N2CCC(C[NH3+])CC2)C[C@H](CC)[NH2+]1 ZINC001246536738 931625521 /nfs/dbraw/zinc/62/55/21/931625521.db2.gz CRYCKJUAZJGIGV-FICVDOATSA-N 2 3 253.434 1.966 20 0 CDADHP CC[C@H]1C[C@H]([N@H+](C)CCC2CC[NH2+]CC2)CCN1 ZINC001246793259 932211418 /nfs/dbraw/zinc/21/14/18/932211418.db2.gz BYAIEZDRDINIGE-LSDHHAIUSA-N 2 3 253.434 1.839 20 0 CDADHP CC[C@H]1C[C@H]([N@@H+](C)CCC2CC[NH2+]CC2)CCN1 ZINC001246793259 932211422 /nfs/dbraw/zinc/21/14/22/932211422.db2.gz BYAIEZDRDINIGE-LSDHHAIUSA-N 2 3 253.434 1.839 20 0 CDADHP [NH3+]C1CCN(c2cccc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@H]43)n2)CC1 ZINC001162797378 939144531 /nfs/dbraw/zinc/14/45/31/939144531.db2.gz MLULWCQQCDUQRH-NWANDNLSSA-N 2 3 299.422 1.195 20 0 CDADHP CC[N@H+]([C@@H]1CCOC1)C1CCN(CC2CC[NH2+]CC2)CC1 ZINC001207439376 940196649 /nfs/dbraw/zinc/19/66/49/940196649.db2.gz QEARYENGPTXDLV-QGZVFWFLSA-N 2 3 295.471 1.561 20 0 CDADHP CC[N@@H+]([C@@H]1CCOC1)C1CCN(CC2CC[NH2+]CC2)CC1 ZINC001207439376 940196651 /nfs/dbraw/zinc/19/66/51/940196651.db2.gz QEARYENGPTXDLV-QGZVFWFLSA-N 2 3 295.471 1.561 20 0 CDADHP C(C1CC[NH2+]CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000178978603 940817694 /nfs/dbraw/zinc/81/76/94/940817694.db2.gz OBLQTJKWXAVVGY-UHFFFAOYSA-N 2 3 251.418 1.546 20 0 CDADHP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001221394726 941529296 /nfs/dbraw/zinc/52/92/96/941529296.db2.gz FVTKUTFDPDORIL-ZNMIVQPWSA-N 2 3 298.475 1.212 20 0 CDADHP [NH3+]CCCC[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235360582 944135681 /nfs/dbraw/zinc/13/56/81/944135681.db2.gz CFWMVORAOFEAML-QZTJIDSGSA-N 2 3 287.451 1.979 20 0 CDADHP [NH3+]CCCC[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235360582 944135688 /nfs/dbraw/zinc/13/56/88/944135688.db2.gz CFWMVORAOFEAML-QZTJIDSGSA-N 2 3 287.451 1.979 20 0 CDADHP C[C@@H]1C[NH2+]CCC[C@H]1C[NH2+][C@H]1CCNC2(CCC2)C1 ZINC001246101236 947952717 /nfs/dbraw/zinc/95/27/17/947952717.db2.gz ZUYDDMMFYZOMKQ-ILXRZTDVSA-N 2 3 265.445 1.886 20 0 CDADHP C[C@H]1CNC[C@@H]1[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246108669 947958988 /nfs/dbraw/zinc/95/89/88/947958988.db2.gz LASHAISGMVFLOA-JSGCOSHPSA-N 2 3 251.418 1.496 20 0 CDADHP C[C@H]1[NH2+]CCC[C@@H]1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001246112576 947963695 /nfs/dbraw/zinc/96/36/95/947963695.db2.gz RLCJRGLXPHKSHJ-NUWOQIAWSA-N 2 3 295.471 1.608 20 0 CDADHP C[C@H]1CC([NH2+]C[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)C[C@H](C)N1 ZINC001246145078 947987750 /nfs/dbraw/zinc/98/77/50/947987750.db2.gz OPOPEHXFMJUHGE-HAFSJTIUSA-N 2 3 265.445 1.741 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)CCN1 ZINC001246273778 948072618 /nfs/dbraw/zinc/07/26/18/948072618.db2.gz VLALYOSGQWYPMV-CABCVRRESA-N 2 3 253.434 1.983 20 0 CDADHP C([NH2+]C1CCNCC1)C1CC[NH+](C2CCC2)CC1 ZINC001246366217 948137768 /nfs/dbraw/zinc/13/77/68/948137768.db2.gz NGOSTGQZOUXDNY-UHFFFAOYSA-N 2 3 251.418 1.593 20 0 CDADHP C[C@H]1C[C@@H]([N@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246441544 948174451 /nfs/dbraw/zinc/17/44/51/948174451.db2.gz ISOYONVHYMJSNT-JKQORVJESA-N 2 3 295.471 1.878 20 0 CDADHP C[C@H]1C[C@@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246441544 948174455 /nfs/dbraw/zinc/17/44/55/948174455.db2.gz ISOYONVHYMJSNT-JKQORVJESA-N 2 3 295.471 1.878 20 0 CDADHP C[C@H]1C[C@H]([N@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246441546 948174655 /nfs/dbraw/zinc/17/46/55/948174655.db2.gz ISOYONVHYMJSNT-QBYUYEEZSA-N 2 3 295.471 1.878 20 0 CDADHP C[C@H]1C[C@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246441546 948174660 /nfs/dbraw/zinc/17/46/60/948174660.db2.gz ISOYONVHYMJSNT-QBYUYEEZSA-N 2 3 295.471 1.878 20 0 CDADHP C[C@]1(CN[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CCC[NH2+]1 ZINC001246457839 948184741 /nfs/dbraw/zinc/18/47/41/948184741.db2.gz VOQVSWJCAAFEOS-KFWWJZLASA-N 2 3 251.418 1.640 20 0 CDADHP NC[C@@H]1CCC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246779318 948435903 /nfs/dbraw/zinc/43/59/03/948435903.db2.gz ZEVAKUXJNSHCKM-AWEZNQCLSA-N 2 3 265.445 1.970 20 0 CDADHP NC[C@@H]1CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246779318 948435908 /nfs/dbraw/zinc/43/59/08/948435908.db2.gz ZEVAKUXJNSHCKM-AWEZNQCLSA-N 2 3 265.445 1.970 20 0 CDADHP C[C@@H]1CC[C@@H](N2CCN(CC3CC[NH+](C)CC3)CC2)C[NH2+]1 ZINC001246951254 948536165 /nfs/dbraw/zinc/53/61/65/948536165.db2.gz YHEKQYBWEFVRDU-NVXWUHKLSA-N 2 3 294.487 1.086 20 0 CDADHP C[C@@H]1CC[C@H](N2CCN(CC3CC[NH+](C)CC3)CC2)C[NH2+]1 ZINC001246951260 948536297 /nfs/dbraw/zinc/53/62/97/948536297.db2.gz YHEKQYBWEFVRDU-WBVHZDCISA-N 2 3 294.487 1.086 20 0 CDADHP [NH3+][C@@H]1CC[C@@H]2CN(Cc3cc4c(s3)CC[NH2+]C4)C[C@H]12 ZINC000873201017 969923131 /nfs/dbraw/zinc/92/31/31/969923131.db2.gz JCLQOFSNIJBZMQ-DDTOSNHZSA-N 2 3 277.437 1.563 20 0 CDADHP C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CC[NH+](C)CC1 ZINC000643545775 356005077 /nfs/dbraw/zinc/00/50/77/356005077.db2.gz CDVHNRJTHXUEGL-ZFWWWQNUSA-N 2 3 265.445 1.981 20 0 CDADHP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000422867828 359666222 /nfs/dbraw/zinc/66/62/22/359666222.db2.gz TVSRTBNWLVEDHJ-BFHYXJOUSA-N 2 3 257.422 1.060 20 0 CDADHP CC[C@H](NCC1CC[NH+](CCN(C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422741788 245202947 /nfs/dbraw/zinc/20/29/47/245202947.db2.gz OZSHOCZFTLMFSO-IRXDYDNUSA-N 2 3 296.503 1.380 20 0 CDADHP CC[NH+](CC)CCO[C@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000261658816 377881951 /nfs/dbraw/zinc/88/19/51/377881951.db2.gz BMLIRJRCAOFPQS-CVEARBPZSA-N 2 3 283.460 1.419 20 0 CDADHP C(C[NH+]1CCCC1)OC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346988476 391381788 /nfs/dbraw/zinc/38/17/88/391381788.db2.gz RBRIVDRQQVSHSL-INIZCTEOSA-N 2 3 295.471 1.563 20 0 CDADHP [NH3+]C1CCC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000665299476 414042882 /nfs/dbraw/zinc/04/28/82/414042882.db2.gz NYBHVQPXTKEOQC-FHERZECASA-N 2 3 265.445 1.968 20 0 CDADHP C[C@@H]([NH3+])C1CC[NH+](Cc2cccc3c2CCNC3)CC1 ZINC000662247712 414583653 /nfs/dbraw/zinc/58/36/53/414583653.db2.gz ZDFQFXXOKWCZTR-CYBMUJFWSA-N 2 3 273.424 1.892 20 0 CDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000423087917 287619566 /nfs/dbraw/zinc/61/95/66/287619566.db2.gz PCEXYWXYVUICDK-CJNGLKHVSA-N 2 3 265.445 1.839 20 0 CDADHP NC[C@]12CCC[C@H]1C[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000652352377 424282055 /nfs/dbraw/zinc/28/20/55/424282055.db2.gz NBMIRCGFPODWGA-ILXRZTDVSA-N 2 3 251.418 1.437 20 0 CDADHP NC[C@]12CCC[C@H]1C[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000652352377 424282057 /nfs/dbraw/zinc/28/20/57/424282057.db2.gz NBMIRCGFPODWGA-ILXRZTDVSA-N 2 3 251.418 1.437 20 0 CDADHP CC[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000423541614 288072153 /nfs/dbraw/zinc/07/21/53/288072153.db2.gz FQFBJPRRVHXBRP-SEBNEYGDSA-N 2 3 251.418 1.495 20 0 CDADHP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCN1 ZINC000423541614 288072155 /nfs/dbraw/zinc/07/21/55/288072155.db2.gz FQFBJPRRVHXBRP-SEBNEYGDSA-N 2 3 251.418 1.495 20 0 CDADHP C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000423564827 290025453 /nfs/dbraw/zinc/02/54/53/290025453.db2.gz YGQZQRSUDZUMAG-BTFPBAQTSA-N 2 3 251.418 1.495 20 0 CDADHP C[N@H+](CC1CC1)C[C@@H]1CCN(CC2CC[NH+](C)CC2)C1 ZINC000892143729 617505225 /nfs/dbraw/zinc/50/52/25/617505225.db2.gz KNHUJKKCKDEFQQ-KRWDZBQOSA-N 2 3 279.472 1.992 20 0 CDADHP C[N@@H+](CC1CC1)C[C@@H]1CCN(CC2CC[NH+](C)CC2)C1 ZINC000892143729 617505229 /nfs/dbraw/zinc/50/52/29/617505229.db2.gz KNHUJKKCKDEFQQ-KRWDZBQOSA-N 2 3 279.472 1.992 20 0 CDADHP C[NH+]1CCC(CN2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000896025402 619947821 /nfs/dbraw/zinc/94/78/21/619947821.db2.gz LDPUYZICFJICHQ-UHFFFAOYSA-N 2 3 265.445 1.888 20 0 CDADHP [NH3+][C@H]1CCCN(Cc2cccc(N3CC[NH2+]CC3)c2)CC1 ZINC001205110075 939823050 /nfs/dbraw/zinc/82/30/50/939823050.db2.gz NYQNSKJXXXNULA-INIZCTEOSA-N 2 3 288.439 1.409 20 0 CDADHP CCC[NH+]1C[C@@H]2CN(CC3CC[NH+](CC)CC3)C[C@H]2C1 ZINC001208602360 940348131 /nfs/dbraw/zinc/34/81/31/940348131.db2.gz CXNCCKNTAACGRE-IAGOWNOFSA-N 2 3 279.472 1.992 20 0 CDADHP CCCN1C[C@@H]2C[NH+](CC3CC[NH+](CC)CC3)C[C@H]2C1 ZINC001208602360 940348133 /nfs/dbraw/zinc/34/81/33/940348133.db2.gz CXNCCKNTAACGRE-IAGOWNOFSA-N 2 3 279.472 1.992 20 0 CDADHP C[NH+]1C(C)(C)CC(NC(=O)[C@@H](N)CCCC[NH3+])CC1(C)C ZINC001220511371 941452186 /nfs/dbraw/zinc/45/21/86/941452186.db2.gz VFVFVNVKMMMVQP-ZDUSSCGKSA-N 2 3 298.475 1.210 20 0 CDADHP CC1(C)[NH2+][C@@H](CCN2CCC3(CCC[NH2+]C3)CC2)CO1 ZINC001222452826 941596936 /nfs/dbraw/zinc/59/69/36/941596936.db2.gz KZUZZHDVOOHUPU-AWEZNQCLSA-N 2 3 281.444 1.567 20 0 CDADHP [NH3+]CCCCCC[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235405482 944145743 /nfs/dbraw/zinc/14/57/43/944145743.db2.gz PEWXUBUFKPUOKS-KBPBESRZSA-N 2 3 257.397 1.529 20 0 CDADHP [NH3+]CCCCCC[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235405482 944145749 /nfs/dbraw/zinc/14/57/49/944145749.db2.gz PEWXUBUFKPUOKS-KBPBESRZSA-N 2 3 257.397 1.529 20 0 CDADHP [NH3+]CCCCCCN1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235405482 944145752 /nfs/dbraw/zinc/14/57/52/944145752.db2.gz PEWXUBUFKPUOKS-KBPBESRZSA-N 2 3 257.397 1.529 20 0 CDADHP C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(c2cc[nH+]cc2)CC1 ZINC001246103048 947953778 /nfs/dbraw/zinc/95/37/78/947953778.db2.gz SNTRDLSZPJOLPY-CZUORRHYSA-N 2 3 274.412 1.638 20 0 CDADHP CCCC[C@@H]1C[C@H](NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CC[NH2+]1 ZINC001246137526 947981664 /nfs/dbraw/zinc/98/16/64/947981664.db2.gz ZGDPFSMYQNPHLL-QCODTGAPSA-N 2 3 281.444 1.264 20 0 CDADHP F[C@@H]1CCNC[C@H]1C[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246224318 948037405 /nfs/dbraw/zinc/03/74/05/948037405.db2.gz WCOGBVYTWWEINO-JWMHWRSXSA-N 2 3 283.435 1.836 20 0 CDADHP CCOC(=O)C[C@H]([NH2+][C@H]1CCN[C@@H](C)C1)C1CC[NH2+]CC1 ZINC001246225238 948039944 /nfs/dbraw/zinc/03/99/44/948039944.db2.gz DIZVXQIGYZCXOV-QEJZJMRPSA-N 2 3 297.443 1.038 20 0 CDADHP CC(C)(C)[C@@H]1C[C@H](N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC001246257441 948060970 /nfs/dbraw/zinc/06/09/70/948060970.db2.gz SYORKZINALPHTH-AESZEHBQSA-N 2 3 295.471 1.654 20 0 CDADHP CC[C@]1([NH2+][C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CCNC1 ZINC001246459468 948184876 /nfs/dbraw/zinc/18/48/76/948184876.db2.gz KJDFZGWCDIZPBT-ILXRZTDVSA-N 2 3 251.418 1.640 20 0 CDADHP C[C@]1(CNC2CCC3(CC[NH2+]C3)CC2)CCC[NH2+]1 ZINC001246458118 948184946 /nfs/dbraw/zinc/18/49/46/948184946.db2.gz WNKYRHMAJAWQOE-SHARSMKWSA-N 2 3 251.418 1.640 20 0 CDADHP CC(C)(C)[C@@H]1C[C@@H](N2CCC[C@](O)(C[NH3+])CC2)CC[NH2+]1 ZINC001246543323 948247031 /nfs/dbraw/zinc/24/70/31/948247031.db2.gz MUJAUHJHRIRCJX-OFQRWUPVSA-N 2 3 283.460 1.329 20 0 CDADHP C1C[C@]2(CCCNC2)[N@@H+]1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246603738 948337275 /nfs/dbraw/zinc/33/72/75/948337275.db2.gz MCSGKBIMIZHLFI-JYJNAYRXSA-N 2 3 263.429 1.737 20 0 CDADHP C1C[C@]2(CCCNC2)[N@H+]1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246603738 948337285 /nfs/dbraw/zinc/33/72/85/948337285.db2.gz MCSGKBIMIZHLFI-JYJNAYRXSA-N 2 3 263.429 1.737 20 0 CDADHP CCCC[C@H]1C[C@H](N2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])CC[NH2+]1 ZINC001246655812 948389632 /nfs/dbraw/zinc/38/96/32/948389632.db2.gz AQWYGVAHJUOWTL-RMEBNNNOSA-N 2 3 251.418 1.719 20 0 CDADHP CC[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CC[C@@]3(N)C2)C[C@H](CC)[NH2+]1 ZINC001246855065 948481351 /nfs/dbraw/zinc/48/13/51/948481351.db2.gz SFLHSSDLSTWPLW-UXXRCYHCSA-N 2 3 251.418 1.719 20 0 CDADHP CC[C@@H]1C[C@@H]([N@H+]2C[C@H]3CC[C@@]3(N)C2)C[C@H](CC)[NH2+]1 ZINC001246855065 948481357 /nfs/dbraw/zinc/48/13/57/948481357.db2.gz SFLHSSDLSTWPLW-UXXRCYHCSA-N 2 3 251.418 1.719 20 0 CDADHP C[C@H]([NH2+][C@H]1CCNC12CCC2)C1CC[NH+](C)CC1 ZINC000629521476 362135867 /nfs/dbraw/zinc/13/58/67/362135867.db2.gz SVDPNEMEWXZXNC-JSGCOSHPSA-N 2 3 251.418 1.591 20 0 CDADHP CCCN1CCC([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422775779 283321629 /nfs/dbraw/zinc/32/16/29/283321629.db2.gz CHAXVOYZKDVYHM-ZFWWWQNUSA-N 2 3 253.434 1.839 20 0 CDADHP [NH3+][C@@H]1CCC[C@H](NCc2cccc3c2CC[NH2+]C3)C1 ZINC000635004906 360648848 /nfs/dbraw/zinc/64/88/48/360648848.db2.gz RECYZNMQNALEKN-CABCVRRESA-N 2 3 259.397 1.692 20 0 CDADHP [NH3+][C@H]1CCCCC[C@@H]1Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000635010725 360654142 /nfs/dbraw/zinc/65/41/42/360654142.db2.gz KZZIZNJQJXYRLC-GJZGRUSLSA-N 2 3 289.427 1.563 20 0 CDADHP CC(C)[C@H](CN)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000634994630 360622320 /nfs/dbraw/zinc/62/23/20/360622320.db2.gz JIKKZTIYFLGYKS-HUUCEWRRSA-N 2 3 253.434 1.539 20 0 CDADHP CC(C)[C@H](C[NH3+])CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000634994630 360622324 /nfs/dbraw/zinc/62/23/24/360622324.db2.gz JIKKZTIYFLGYKS-HUUCEWRRSA-N 2 3 253.434 1.539 20 0 CDADHP C[C@@H](NC1CCC([NH+](C)C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423539692 296114205 /nfs/dbraw/zinc/11/42/05/296114205.db2.gz BYAJYJGYWHSEFS-URGYJCLVSA-N 2 3 253.434 1.979 20 0 CDADHP CCO[C@H](CC[NH+](C)C)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422863778 245348201 /nfs/dbraw/zinc/34/82/01/245348201.db2.gz LWOAUVWMBJDMEH-IZGVIRRGSA-N 2 3 269.433 1.216 20 0 CDADHP C[C@]1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCCNC1 ZINC000647547533 390990383 /nfs/dbraw/zinc/99/03/83/390990383.db2.gz YIWIIFQCUHMSHX-XQLPTFJDSA-N 2 3 251.418 1.354 20 0 CDADHP C(CN1CCC[C@@]2(CC[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC000334993407 391992908 /nfs/dbraw/zinc/99/29/08/391992908.db2.gz QIEFOVYWGJBTIH-HNNXBMFYSA-N 2 3 251.418 1.452 20 0 CDADHP C([NH2+]C1CCNCC1)C1CC[NH+](CC2CC2)CC1 ZINC000665299390 414044368 /nfs/dbraw/zinc/04/43/68/414044368.db2.gz MHXHBKGRVFGJFH-UHFFFAOYSA-N 2 3 251.418 1.450 20 0 CDADHP C[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)[C@@H]1CCN ZINC000652356232 424302294 /nfs/dbraw/zinc/30/22/94/424302294.db2.gz XVVANKHLWVEQNM-DZGCQCFKSA-N 2 3 253.434 1.825 20 0 CDADHP C[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)[C@@H]1CCN ZINC000652356232 424302299 /nfs/dbraw/zinc/30/22/99/424302299.db2.gz XVVANKHLWVEQNM-DZGCQCFKSA-N 2 3 253.434 1.825 20 0 CDADHP C[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)[C@@H]1CCN ZINC000652356234 424304252 /nfs/dbraw/zinc/30/42/52/424304252.db2.gz XVVANKHLWVEQNM-UKRRQHHQSA-N 2 3 253.434 1.825 20 0 CDADHP C[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)[C@@H]1CCN ZINC000652356234 424304261 /nfs/dbraw/zinc/30/42/61/424304261.db2.gz XVVANKHLWVEQNM-UKRRQHHQSA-N 2 3 253.434 1.825 20 0 CDADHP C[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1CN ZINC000422639214 297367234 /nfs/dbraw/zinc/36/72/34/297367234.db2.gz SJXHZBRCOFBMSX-CBBWQLFWSA-N 2 3 253.434 1.681 20 0 CDADHP C[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1CN ZINC000422639214 297367235 /nfs/dbraw/zinc/36/72/35/297367235.db2.gz SJXHZBRCOFBMSX-CBBWQLFWSA-N 2 3 253.434 1.681 20 0 CDADHP C[C@@H]1C[C@H](C)N(CC[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000422639214 297367236 /nfs/dbraw/zinc/36/72/36/297367236.db2.gz SJXHZBRCOFBMSX-CBBWQLFWSA-N 2 3 253.434 1.681 20 0 CDADHP C[C@@H](NC[C@H]1CCCCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000902485081 624893125 /nfs/dbraw/zinc/89/31/25/624893125.db2.gz YUWFRPKIYMEICO-UKRRQHHQSA-N 2 3 253.434 1.839 20 0 CDADHP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000903906327 626141100 /nfs/dbraw/zinc/14/11/00/626141100.db2.gz VMMONIMWZSTDOV-WTXIUTQJSA-N 2 3 263.429 1.593 20 0 CDADHP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000903906327 626141102 /nfs/dbraw/zinc/14/11/02/626141102.db2.gz VMMONIMWZSTDOV-WTXIUTQJSA-N 2 3 263.429 1.593 20 0 CDADHP CC(C)[C@@H](C[NH3+])CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959123 626158953 /nfs/dbraw/zinc/15/89/53/626158953.db2.gz AWNNXNJSHJTJOQ-LSDHHAIUSA-N 2 3 253.434 1.683 20 0 CDADHP C(C1CC[NH2+]CC1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000903948165 626163981 /nfs/dbraw/zinc/16/39/81/626163981.db2.gz MGUZFAHYOIUHHX-UHFFFAOYSA-N 2 3 281.444 1.219 20 0 CDADHP C[C@H](CC[NH2+][C@H]1CC[C@H](C[NH3+])C1)N1CCCCC1 ZINC001575966043 1171306017 /nfs/dbraw/zinc/30/60/17/1171306017.db2.gz CYFJNPBXKIWACW-ILXRZTDVSA-N 2 3 253.434 1.968 20 0 CDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N(C)C1(C)CC[NH2+]CC1 ZINC001161072600 938868634 /nfs/dbraw/zinc/86/86/34/938868634.db2.gz CCYMSCBHUMSZGX-AWEZNQCLSA-N 2 3 298.475 1.083 20 0 CDADHP c1c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)sc2c1CNCC2 ZINC001222624342 941620793 /nfs/dbraw/zinc/62/07/93/941620793.db2.gz YCFUEPDNZMMRKP-BETUJISGSA-N 2 3 291.464 1.825 20 0 CDADHP c1c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)sc2c1CNCC2 ZINC001222624342 941620795 /nfs/dbraw/zinc/62/07/95/941620795.db2.gz YCFUEPDNZMMRKP-BETUJISGSA-N 2 3 291.464 1.825 20 0 CDADHP C(C[N@@H+]1CCCC[C@@]12CCCNC2)[C@H]1CCC[NH2+]C1 ZINC001235171570 944077780 /nfs/dbraw/zinc/07/77/80/944077780.db2.gz KARKACSFUMMUGT-CVEARBPZSA-N 2 3 265.445 1.984 20 0 CDADHP C(C[N@H+]1CCCC[C@@]12CCCNC2)[C@H]1CCC[NH2+]C1 ZINC001235171570 944077788 /nfs/dbraw/zinc/07/77/88/944077788.db2.gz KARKACSFUMMUGT-CVEARBPZSA-N 2 3 265.445 1.984 20 0 CDADHP C(C[NH2+]C1CCCCC1)CN1CC[C@H](C2C[NH2+]C2)C1 ZINC001235342446 944128817 /nfs/dbraw/zinc/12/88/17/944128817.db2.gz VVAWUAIOGTXCCT-AWEZNQCLSA-N 2 3 265.445 1.840 20 0 CDADHP CCCC[C@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)CCN1 ZINC001246072729 947924990 /nfs/dbraw/zinc/92/49/90/947924990.db2.gz KQVQQFZNBKRGQB-GJZGRUSLSA-N 2 3 253.434 1.886 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC001246100679 947950990 /nfs/dbraw/zinc/95/09/90/947950990.db2.gz OUARXFXPZRKXTD-UVPYHEFZSA-N 2 3 265.445 1.837 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC001246100676 947952472 /nfs/dbraw/zinc/95/24/72/947952472.db2.gz OUARXFXPZRKXTD-GVRJEKJASA-N 2 3 265.445 1.837 20 0 CDADHP C[C@H]1CC([NH2+]CCCC2CC[NH2+]CC2)C[C@H](C)N1 ZINC001246108958 947959084 /nfs/dbraw/zinc/95/90/84/947959084.db2.gz XDPOINNQWNPDKT-STQMWFEESA-N 2 3 253.434 1.885 20 0 CDADHP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246132684 947977645 /nfs/dbraw/zinc/97/76/45/947977645.db2.gz UCJQLZHCPUTJTL-MGPQQGTHSA-N 2 3 251.418 1.639 20 0 CDADHP Fc1ccc(C2(C[NH2+]C3CCNCC3)CC[NH2+]CC2)cc1 ZINC001246212534 948030918 /nfs/dbraw/zinc/03/09/18/948030918.db2.gz PZYAUDRBSHQJMP-UHFFFAOYSA-N 2 3 291.414 1.789 20 0 CDADHP c1ccc(C[NH+]2CCC(C[NH2+]C3CCNCC3)CC2)nc1 ZINC001246370973 948141696 /nfs/dbraw/zinc/14/16/96/948141696.db2.gz YQTMEXSQOZVZMO-UHFFFAOYSA-N 2 3 288.439 1.635 20 0 CDADHP C[C@@H]1CC([NH2+]C[C@H]2CCC[C@@H](C[NH3+])C2)C[C@@H](C)N1 ZINC001246457653 948185209 /nfs/dbraw/zinc/18/52/09/948185209.db2.gz PJFLECCZSQMWSM-SYQHCUMBSA-N 2 3 253.434 1.870 20 0 CDADHP CC[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)CCN1 ZINC001246570169 948291532 /nfs/dbraw/zinc/29/15/32/948291532.db2.gz TYYIAZDJOMEVAX-GBJTYRQASA-N 2 3 253.434 1.824 20 0 CDADHP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)CCN1 ZINC001246570169 948291540 /nfs/dbraw/zinc/29/15/40/948291540.db2.gz TYYIAZDJOMEVAX-GBJTYRQASA-N 2 3 253.434 1.824 20 0 CDADHP C1[NH2+]CC12CC[C@H]([N@@H+]1CCCC[C@]13CCCNC3)C2 ZINC001246649278 948385854 /nfs/dbraw/zinc/38/58/54/948385854.db2.gz BHPCHMSRGHOQAQ-GOEBONIOSA-N 2 3 263.429 1.737 20 0 CDADHP C1[NH2+]CC12CC[C@H]([N@H+]1CCCC[C@]13CCCNC3)C2 ZINC001246649278 948385863 /nfs/dbraw/zinc/38/58/63/948385863.db2.gz BHPCHMSRGHOQAQ-GOEBONIOSA-N 2 3 263.429 1.737 20 0 CDADHP CC[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CC[C@]3(N)C2)C[C@H](CC)[NH2+]1 ZINC001246855058 948480819 /nfs/dbraw/zinc/48/08/19/948480819.db2.gz SFLHSSDLSTWPLW-QMIVOQANSA-N 2 3 251.418 1.719 20 0 CDADHP CC[C@@H]1C[C@@H]([N@H+]2C[C@H]3CC[C@]3(N)C2)C[C@H](CC)[NH2+]1 ZINC001246855058 948480827 /nfs/dbraw/zinc/48/08/27/948480827.db2.gz SFLHSSDLSTWPLW-QMIVOQANSA-N 2 3 251.418 1.719 20 0 CDADHP [NH3+]CC1CCC(C[NH2+][C@@H]2CCNC23CCC3)CC1 ZINC001553024674 964487689 /nfs/dbraw/zinc/48/76/89/964487689.db2.gz NKSNFHWAWUUOER-JXQTWKCFSA-N 2 3 251.418 1.626 20 0 CDADHP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCNC1 ZINC000576099236 317073488 /nfs/dbraw/zinc/07/34/88/317073488.db2.gz ODGXFYJALBLHFH-KKUMJFAQSA-N 2 3 253.434 1.696 20 0 CDADHP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCNC1 ZINC000576099236 317073490 /nfs/dbraw/zinc/07/34/90/317073490.db2.gz ODGXFYJALBLHFH-KKUMJFAQSA-N 2 3 253.434 1.696 20 0 CDADHP [NH3+]CC[C@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000420319746 244077970 /nfs/dbraw/zinc/07/79/70/244077970.db2.gz YGBPJCCJDZTPJQ-OAHLLOKOSA-N 2 3 253.434 1.923 20 0 CDADHP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000227497700 375544004 /nfs/dbraw/zinc/54/40/04/375544004.db2.gz WOFAVNLGOWTBHE-HUUCEWRRSA-N 2 3 265.445 1.935 20 0 CDADHP CC[C@H](NCC1CC[NH+](CC)CC1)[C@@H]1CCC[NH2+]1 ZINC000572147737 377727341 /nfs/dbraw/zinc/72/73/41/377727341.db2.gz BHFSLEVQUXHMFN-GJZGRUSLSA-N 2 3 253.434 1.839 20 0 CDADHP CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)[C@@H]1CCCN1 ZINC000572147737 377727353 /nfs/dbraw/zinc/72/73/53/377727353.db2.gz BHFSLEVQUXHMFN-GJZGRUSLSA-N 2 3 253.434 1.839 20 0 CDADHP NC[C@@H]1CCC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000423129194 392368165 /nfs/dbraw/zinc/36/81/65/392368165.db2.gz DZYZSDLIWSONOR-LSDHHAIUSA-N 2 3 253.434 1.970 20 0 CDADHP C([C@H]1CCC2(CNC2)O1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662292673 414618233 /nfs/dbraw/zinc/61/82/33/414618233.db2.gz HLIXFLRRQRUHFJ-HZPDHXFCSA-N 2 3 293.455 1.219 20 0 CDADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000423463401 295215993 /nfs/dbraw/zinc/21/59/93/295215993.db2.gz PWZQHFAPZWWHRR-YITSKGGISA-N 2 3 263.429 1.719 20 0 CDADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000423085521 295248427 /nfs/dbraw/zinc/24/84/27/295248427.db2.gz KCBNFQBLBBGYEZ-HOCLYGCPSA-N 2 3 265.445 1.968 20 0 CDADHP NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000580312060 324428538 /nfs/dbraw/zinc/42/85/38/324428538.db2.gz HHSKOWSWBAYXPN-BYNSBNAKSA-N 2 3 251.418 1.482 20 0 CDADHP CCN(C)C[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359219620 520254899 /nfs/dbraw/zinc/25/48/99/520254899.db2.gz VMXDFRAKIIZLIH-OAHLLOKOSA-N 2 3 253.434 1.650 20 0 CDADHP CCN(C)C[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359219620 520254906 /nfs/dbraw/zinc/25/49/06/520254906.db2.gz VMXDFRAKIIZLIH-OAHLLOKOSA-N 2 3 253.434 1.650 20 0 CDADHP CC[N@H+](C)C[C@H]1CCN(CCC2CC[NH2+]CC2)C1 ZINC000359219620 520254912 /nfs/dbraw/zinc/25/49/12/520254912.db2.gz VMXDFRAKIIZLIH-OAHLLOKOSA-N 2 3 253.434 1.650 20 0 CDADHP CC[N@@H+](C)C[C@H]1CCN(CCC2CC[NH2+]CC2)C1 ZINC000359219620 520254917 /nfs/dbraw/zinc/25/49/17/520254917.db2.gz VMXDFRAKIIZLIH-OAHLLOKOSA-N 2 3 253.434 1.650 20 0 CDADHP C[C@@H]1C[C@@H](C)[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1CN ZINC000903930520 626151085 /nfs/dbraw/zinc/15/10/85/626151085.db2.gz ZGWNZSAREIEBII-PPPQBQLXSA-N 2 3 265.445 1.822 20 0 CDADHP C[C@@H]1C[C@@H](C)[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1CN ZINC000903930520 626151086 /nfs/dbraw/zinc/15/10/86/626151086.db2.gz ZGWNZSAREIEBII-PPPQBQLXSA-N 2 3 265.445 1.822 20 0 CDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCCC[N@H+](C)C(C)C ZINC000848987885 753582981 /nfs/dbraw/zinc/58/29/81/753582981.db2.gz MFSNAFNGVWQIEU-CQSZACIVSA-N 2 3 283.464 1.315 20 0 CDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCCC[N@@H+](C)C(C)C ZINC000848987885 753582990 /nfs/dbraw/zinc/58/29/90/753582990.db2.gz MFSNAFNGVWQIEU-CQSZACIVSA-N 2 3 283.464 1.315 20 0 CDADHP CC(C)(C)[C@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)CCN1 ZINC001246072114 930904751 /nfs/dbraw/zinc/90/47/51/930904751.db2.gz FKIGBNULCXQBKT-ZIAGYGMSSA-N 2 3 253.434 1.742 20 0 CDADHP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)C[C@H](C)N1 ZINC001246563516 931792048 /nfs/dbraw/zinc/79/20/48/931792048.db2.gz XGRRZEBSNMOLML-AHDPXTMNSA-N 2 3 253.434 1.822 20 0 CDADHP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)C[C@H](C)N1 ZINC001246563516 931792052 /nfs/dbraw/zinc/79/20/52/931792052.db2.gz XGRRZEBSNMOLML-AHDPXTMNSA-N 2 3 253.434 1.822 20 0 CDADHP C(C[N@@H+]1CCC[C@@]12CCCNC2)[C@H]1CCC[NH2+]C1 ZINC001222231094 941576311 /nfs/dbraw/zinc/57/63/11/941576311.db2.gz IZOWGIRHUWSWJS-HUUCEWRRSA-N 2 3 251.418 1.594 20 0 CDADHP C(C[N@H+]1CCC[C@@]12CCCNC2)[C@H]1CCC[NH2+]C1 ZINC001222231094 941576314 /nfs/dbraw/zinc/57/63/14/941576314.db2.gz IZOWGIRHUWSWJS-HUUCEWRRSA-N 2 3 251.418 1.594 20 0 CDADHP COC1CCN(C2CC[NH+](CCCC[NH3+])CC2)CC1 ZINC001236441683 944498258 /nfs/dbraw/zinc/49/82/58/944498258.db2.gz UDJVTHOVLUVXGY-UHFFFAOYSA-N 2 3 269.433 1.301 20 0 CDADHP CC1(C)C[C@@H]([NH2+]C[C@]2(C)CCC[NH2+]CC2)CCN1 ZINC001246096734 947947479 /nfs/dbraw/zinc/94/74/79/947947479.db2.gz WCHHTOQUOPACKN-DZGCQCFKSA-N 2 3 253.434 1.886 20 0 CDADHP F[C@]1(CN[C@H]2CCC3(C2)CC[NH2+]CC3)CCCC[NH2+]C1 ZINC001246113822 947965345 /nfs/dbraw/zinc/96/53/45/947965345.db2.gz OALRRQHFRBYPMP-GOEBONIOSA-N 2 3 283.435 1.980 20 0 CDADHP CC[C@@H]1C[C@H](NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)C[C@H](CC)[NH2+]1 ZINC001246134526 947980106 /nfs/dbraw/zinc/98/01/06/947980106.db2.gz NLPAXBNURNEORV-XMEMRUQMSA-N 2 3 281.444 1.262 20 0 CDADHP CCCC[C@@H]1C[C@H](NC[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246145442 947987157 /nfs/dbraw/zinc/98/71/57/947987157.db2.gz WZBGAACOKQOJKN-BIVLZKPYSA-N 2 3 295.471 1.511 20 0 CDADHP CCCC[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)CCN1 ZINC001246275846 948070774 /nfs/dbraw/zinc/07/07/74/948070774.db2.gz AWRCJBYRJQFUJZ-ZNMIVQPWSA-N 2 3 253.434 1.886 20 0 CDADHP C[C@H]1C[C@H](NCCNCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001246405372 948159069 /nfs/dbraw/zinc/15/90/69/948159069.db2.gz NYSSZUXCPJANSQ-DOTOQJQBSA-N 2 3 290.455 1.177 20 0 CDADHP C[C@H]1C[C@H](NCCNCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001246405372 948159073 /nfs/dbraw/zinc/15/90/73/948159073.db2.gz NYSSZUXCPJANSQ-DOTOQJQBSA-N 2 3 290.455 1.177 20 0 CDADHP CC[C@@H]1C[C@H]([NH2+]CC2(CC)CC[NH2+]CC2)CCN1 ZINC001246425297 948167250 /nfs/dbraw/zinc/16/72/50/948167250.db2.gz XHXZCAYHZHWXBE-ZIAGYGMSSA-N 2 3 253.434 1.886 20 0 CDADHP CC(C)(C)[C@H]1C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)CCN1 ZINC001246461718 948186772 /nfs/dbraw/zinc/18/67/72/948186772.db2.gz FIADKKYSKIEHQF-HZSPNIEDSA-N 2 3 253.434 1.742 20 0 CDADHP CC[C@@]1([NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)CCNC1 ZINC001246465968 948188710 /nfs/dbraw/zinc/18/87/10/948188710.db2.gz UPTNARIAFMGTFD-UKRRQHHQSA-N 2 3 251.418 1.640 20 0 CDADHP NC[C@@H]1CCCC[N@@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246580561 948306888 /nfs/dbraw/zinc/30/68/88/948306888.db2.gz HBJZWPOJASJCRL-XHSDSOJGSA-N 2 3 265.445 1.970 20 0 CDADHP NC[C@@H]1CCCC[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246580561 948306894 /nfs/dbraw/zinc/30/68/94/948306894.db2.gz HBJZWPOJASJCRL-XHSDSOJGSA-N 2 3 265.445 1.970 20 0 CDADHP C1NCC12CC[N@@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246632527 948370200 /nfs/dbraw/zinc/37/02/00/948370200.db2.gz WVGFEOZINANPBR-UHFFFAOYSA-N 2 3 263.429 1.594 20 0 CDADHP C1NCC12CC[N@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246632527 948370209 /nfs/dbraw/zinc/37/02/09/948370209.db2.gz WVGFEOZINANPBR-UHFFFAOYSA-N 2 3 263.429 1.594 20 0 CDADHP NC[C@@H]1CCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246774430 948432177 /nfs/dbraw/zinc/43/21/77/948432177.db2.gz FJUMJHUUBWQBME-FHERZECASA-N 2 3 265.445 1.970 20 0 CDADHP NC[C@@H]1CCC[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246774430 948432171 /nfs/dbraw/zinc/43/21/71/948432171.db2.gz FJUMJHUUBWQBME-FHERZECASA-N 2 3 265.445 1.970 20 0 CDADHP CC[C@H]1C[C@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCN1 ZINC001246935597 948529777 /nfs/dbraw/zinc/52/97/77/948529777.db2.gz VZKRVLJMQVVSKC-LJISPDSOSA-N 2 3 251.418 1.448 20 0 CDADHP CC[C@H]1C[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCN1 ZINC001246935597 948529780 /nfs/dbraw/zinc/52/97/80/948529780.db2.gz VZKRVLJMQVVSKC-LJISPDSOSA-N 2 3 251.418 1.448 20 0 CDADHP CC1(C)[C@@H]2NCCC[C@H]2[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC001553024476 964486132 /nfs/dbraw/zinc/48/61/32/964486132.db2.gz FKQMUWSJIBXNRR-MGPQQGTHSA-N 2 3 265.445 1.742 20 0 CDADHP c1cc(CN2C[C@H]3C[NH2+]CC[C@@H]3C2)c2c(c1)C[NH2+]CC2 ZINC001550935014 966290961 /nfs/dbraw/zinc/29/09/61/966290961.db2.gz IORHAGUFOYGXEO-GDBMZVCRSA-N 2 3 271.408 1.374 20 0 CDADHP [NH3+]C[C@@H]1CCC[C@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635012872 360658192 /nfs/dbraw/zinc/65/81/92/360658192.db2.gz WMOOZPWUGBGHAU-GXTWGEPZSA-N 2 3 275.400 1.031 20 0 CDADHP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cnccc1N ZINC000635013237 360662235 /nfs/dbraw/zinc/66/22/35/360662235.db2.gz XKVCLLPOSWSENX-LBPRGKRZSA-N 2 3 298.394 1.472 20 0 CDADHP C[C@H]1C[C@H](C[N@@H+]2CCCC23CCN(C)CC3)CC[NH2+]1 ZINC000334882516 377733000 /nfs/dbraw/zinc/73/30/00/377733000.db2.gz NLFSJXWWJBCOBP-LSDHHAIUSA-N 2 3 265.445 1.935 20 0 CDADHP C[C@H]1C[C@H](C[N@H+]2CCCC23CCN(C)CC3)CC[NH2+]1 ZINC000334882516 377733007 /nfs/dbraw/zinc/73/30/07/377733007.db2.gz NLFSJXWWJBCOBP-LSDHHAIUSA-N 2 3 265.445 1.935 20 0 CDADHP C[C@H](C[NH3+])CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423299670 392496850 /nfs/dbraw/zinc/49/68/50/392496850.db2.gz QJVIGTXRTAFUTA-KGLIPLIRSA-N 2 3 279.428 1.872 20 0 CDADHP C([C@@H]1CCC2(CNC2)O1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662274244 414605291 /nfs/dbraw/zinc/60/52/91/414605291.db2.gz SIBIYSCHSFMWNK-OAGGEKHMSA-N 2 3 293.455 1.219 20 0 CDADHP C([C@@H]1CCC2(CNC2)O1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662274244 414605294 /nfs/dbraw/zinc/60/52/94/414605294.db2.gz SIBIYSCHSFMWNK-OAGGEKHMSA-N 2 3 293.455 1.219 20 0 CDADHP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCCC[C@@H]2N)CC1 ZINC000422961407 289153832 /nfs/dbraw/zinc/15/38/32/289153832.db2.gz BSPYULDVQNMRBX-HOTGVXAUSA-N 2 3 282.476 1.262 20 0 CDADHP C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CC[NH+](CC2CC2)CC1 ZINC000925715166 617829476 /nfs/dbraw/zinc/82/94/76/617829476.db2.gz AAFOWFLHFKSUMQ-IGKNDFSCSA-N 2 3 289.467 1.694 20 0 CDADHP CC[N@@H+]1CC[C@H](N(C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[C@@H](C)C1 ZINC000903739043 626077427 /nfs/dbraw/zinc/07/74/27/626077427.db2.gz BFPXZBXYCAAPBR-QAETUUGQSA-N 2 3 295.471 1.417 20 0 CDADHP CC[N@H+]1CC[C@H](N(C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[C@@H](C)C1 ZINC000903739043 626077433 /nfs/dbraw/zinc/07/74/33/626077433.db2.gz BFPXZBXYCAAPBR-QAETUUGQSA-N 2 3 295.471 1.417 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C[C@@H]3CCCC[NH2+]C3)C2)C1 ZINC000903763493 626083170 /nfs/dbraw/zinc/08/31/70/626083170.db2.gz KSANKUVJECXPRG-VQHPVUNQSA-N 2 3 295.471 1.594 20 0 CDADHP [NH3+]CC1(c2ccccc2)CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000903793895 626089569 /nfs/dbraw/zinc/08/95/69/626089569.db2.gz WZMJSULFHUSEHV-MRXNPFEDSA-N 2 3 287.451 1.979 20 0 CDADHP C([C@@H]1CC[NH2+]C1)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923509353 754806573 /nfs/dbraw/zinc/80/65/73/754806573.db2.gz QISRBQWYZZKJLH-CABCVRRESA-N 2 3 265.445 1.698 20 0 CDADHP CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000715556412 756809781 /nfs/dbraw/zinc/80/97/81/756809781.db2.gz CWLVKADXGXIENG-ZVDSWSACSA-N 2 3 265.445 1.837 20 0 CDADHP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCN1c1ccncc1 ZINC000883410701 756893688 /nfs/dbraw/zinc/89/36/88/756893688.db2.gz HQWORJHJTJEROG-AWEZNQCLSA-N 2 3 274.412 1.592 20 0 CDADHP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1c1ccncc1 ZINC000883410701 756893690 /nfs/dbraw/zinc/89/36/90/756893690.db2.gz HQWORJHJTJEROG-AWEZNQCLSA-N 2 3 274.412 1.592 20 0 CDADHP CCC[NH+]1C[C@H]2CN(CC3(C)CC[NH+](C)CC3)C[C@@H]2C1 ZINC001208112141 894031055 /nfs/dbraw/zinc/03/10/55/894031055.db2.gz RQFHFCRTWRQHTI-HOTGVXAUSA-N 2 3 279.472 1.992 20 0 CDADHP [NH3+]C[C@@H]1CN(CCC2CC[NH2+]CC2)CCC1(F)F ZINC001205735274 939929268 /nfs/dbraw/zinc/92/92/68/939929268.db2.gz MFSOEFMAXGBUGV-GFCCVEGCSA-N 2 3 261.360 1.292 20 0 CDADHP C[C@@H]1[C@@H](CN)CCC[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001205903703 939954830 /nfs/dbraw/zinc/95/48/30/939954830.db2.gz QTWBIWCBVXMDDV-UKRRQHHQSA-N 2 3 265.445 1.825 20 0 CDADHP C[C@@H]1[C@@H](CN)CCC[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001205903703 939954835 /nfs/dbraw/zinc/95/48/35/939954835.db2.gz QTWBIWCBVXMDDV-UKRRQHHQSA-N 2 3 265.445 1.825 20 0 CDADHP c1ccc([C@@]23C[NH2+]C[C@@H]2CN(CCC2CC[NH2+]CC2)C3)cc1 ZINC001236005657 944370787 /nfs/dbraw/zinc/37/07/87/944370787.db2.gz MGFPCFBCAHWPKW-MOPGFXCFSA-N 2 3 299.462 1.849 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[C@H](C)N1 ZINC001246206787 948026309 /nfs/dbraw/zinc/02/63/09/948026309.db2.gz TXYRFUXOMYVYEM-OEYUUCTPSA-N 2 3 253.434 1.870 20 0 CDADHP F[C@H]1CCNC[C@@H]1C[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246224317 948038727 /nfs/dbraw/zinc/03/87/27/948038727.db2.gz WCOGBVYTWWEINO-CIDNJEQPSA-N 2 3 283.435 1.836 20 0 CDADHP C1=C[C@H](NC2CCC3(CCC[NH2+]C3)CC2)[C@@H]2C[NH2+]C[C@H]12 ZINC001246473036 948192391 /nfs/dbraw/zinc/19/23/91/948192391.db2.gz IRCXTFONYGHKSV-JPLDOALUSA-N 2 3 275.440 1.662 20 0 CDADHP CC[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CCN1 ZINC001246570170 948292241 /nfs/dbraw/zinc/29/22/41/948292241.db2.gz TYYIAZDJOMEVAX-KBUPBQIOSA-N 2 3 253.434 1.824 20 0 CDADHP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CCN1 ZINC001246570170 948292249 /nfs/dbraw/zinc/29/22/49/948292249.db2.gz TYYIAZDJOMEVAX-KBUPBQIOSA-N 2 3 253.434 1.824 20 0 CDADHP C[NH2+]CC[C@H](C)N1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001246662539 948394306 /nfs/dbraw/zinc/39/43/06/948394306.db2.gz IBCPASPEXFBVJY-DZGCQCFKSA-N 2 3 253.434 1.839 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C[C@H]2CCC[NH2+]C2)C1 ZINC000650723920 398162461 /nfs/dbraw/zinc/16/24/61/398162461.db2.gz VVWKQQICGYAYLW-FZKCQIBNSA-N 2 3 281.444 1.347 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@H]2CCCNC2)C1 ZINC000650723920 398162467 /nfs/dbraw/zinc/16/24/67/398162467.db2.gz VVWKQQICGYAYLW-FZKCQIBNSA-N 2 3 281.444 1.347 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@H]2CCCNC2)C1 ZINC000650723920 398162470 /nfs/dbraw/zinc/16/24/70/398162470.db2.gz VVWKQQICGYAYLW-FZKCQIBNSA-N 2 3 281.444 1.347 20 0 CDADHP [NH3+]C[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)CC[C@@H]1C(F)(F)F ZINC000629559251 363003221 /nfs/dbraw/zinc/00/32/21/363003221.db2.gz ANMJMIAZVHASLE-TUAOUCFPSA-N 2 3 279.350 1.445 20 0 CDADHP c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2c(c1)CNCC2 ZINC000635003459 360646264 /nfs/dbraw/zinc/64/62/64/360646264.db2.gz JSAJRVNCUDOWAV-RRQGHBQHSA-N 2 3 285.435 1.810 20 0 CDADHP CC(C)[C@@H](CN)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000634991452 360617943 /nfs/dbraw/zinc/61/79/43/360617943.db2.gz DZXHIVQYGFDKCP-ZDUSSCGKSA-N 2 3 257.422 1.047 20 0 CDADHP CC(C)[C@@H](C[NH3+])CN1CCC(OCCC[NH3+])CC1 ZINC000634991452 360617944 /nfs/dbraw/zinc/61/79/44/360617944.db2.gz DZXHIVQYGFDKCP-ZDUSSCGKSA-N 2 3 257.422 1.047 20 0 CDADHP CC(C)[C@H](CN)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000634996233 360626397 /nfs/dbraw/zinc/62/63/97/360626397.db2.gz DMNZMSAFABOTMT-ZJIFWQFVSA-N 2 3 283.460 1.436 20 0 CDADHP CC(C)[C@H](CN)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000634996233 360626398 /nfs/dbraw/zinc/62/63/98/360626398.db2.gz DMNZMSAFABOTMT-ZJIFWQFVSA-N 2 3 283.460 1.436 20 0 CDADHP CC(C)[C@H](C[NH3+])CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000634996233 360626401 /nfs/dbraw/zinc/62/64/01/360626401.db2.gz DMNZMSAFABOTMT-ZJIFWQFVSA-N 2 3 283.460 1.436 20 0 CDADHP C[C@@H]1C[C@H](CNC[C@@H]2[NH2+]CCCC2(C)C)CC[NH2+]1 ZINC000414927448 370362194 /nfs/dbraw/zinc/36/21/94/370362194.db2.gz LXGCXDXAOKKJIA-MCIONIFRSA-N 2 3 253.434 1.742 20 0 CDADHP C[C@H]([NH2+][C@H]1CCCC[C@@H]1CN)C1CC[NH+](C)CC1 ZINC000396442159 397894264 /nfs/dbraw/zinc/89/42/64/397894264.db2.gz ALQCIKCXESUXMC-CFVMTHIKSA-N 2 3 253.434 1.824 20 0 CDADHP CCO[C@H](CC[NH+](C)C)CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422864676 286443455 /nfs/dbraw/zinc/44/34/55/286443455.db2.gz NNOYINIJZHWLMK-ZNMIVQPWSA-N 2 3 271.449 1.321 20 0 CDADHP c1cc2c(cc1C[NH2+]CCC[C@@H]1CCC[NH2+]1)CNCC2 ZINC000656785661 413660116 /nfs/dbraw/zinc/66/01/16/413660116.db2.gz HZWZBRCEQFMVBI-QGZVFWFLSA-N 2 3 273.424 1.954 20 0 CDADHP [NH3+]C[C@H]1CCC[C@H]1NCc1ccc2c(c1)C[NH2+]CC2 ZINC000656786785 413665433 /nfs/dbraw/zinc/66/54/33/413665433.db2.gz QMRDEZSVVJMQJN-GDBMZVCRSA-N 2 3 259.397 1.549 20 0 CDADHP C([NH2+][C@@H]1CCCNCC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000665233763 413957318 /nfs/dbraw/zinc/95/73/18/413957318.db2.gz OTQLNNZKHXBIFX-MRXNPFEDSA-N 2 3 295.471 1.609 20 0 CDADHP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCNC1 ZINC000583434867 325173541 /nfs/dbraw/zinc/17/35/41/325173541.db2.gz IOMMAUNWAMBZKM-SBJFKYEJSA-N 2 3 251.418 1.352 20 0 CDADHP CN1CCC[C@H](C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902351038 624714713 /nfs/dbraw/zinc/71/47/13/624714713.db2.gz VMBSWVPHSZAMQH-ZIAGYGMSSA-N 2 3 253.434 1.696 20 0 CDADHP C[C@]1(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)CCC[NH2+]C1 ZINC000904381939 626277216 /nfs/dbraw/zinc/27/72/16/626277216.db2.gz YLMDQLDQFZWSTA-IRXDYDNUSA-N 2 3 295.471 1.467 20 0 CDADHP [NH3+]CCC[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccccc1 ZINC000925613923 772484369 /nfs/dbraw/zinc/48/43/69/772484369.db2.gz VALRVMWRAWKRKQ-IAGOWNOFSA-N 2 3 291.439 1.513 20 0 CDADHP CN1C(C)(C)CC([NH2+]CCSCC[NH3+])CC1(C)C ZINC001171625214 910860139 /nfs/dbraw/zinc/86/01/39/910860139.db2.gz DZUVBSQGVRKFAE-UHFFFAOYSA-N 2 3 273.490 1.919 20 0 CDADHP C[NH+]1C(C)(C)CC(NCCSCC[NH3+])CC1(C)C ZINC001171625214 910860124 /nfs/dbraw/zinc/86/01/24/910860124.db2.gz DZUVBSQGVRKFAE-UHFFFAOYSA-N 2 3 273.490 1.919 20 0 CDADHP NC[C@@H]1CCCC[N@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001206606217 934882175 /nfs/dbraw/zinc/88/21/75/934882175.db2.gz HGAGZWNJXQQLCX-AWEZNQCLSA-N 2 3 265.445 1.827 20 0 CDADHP NC[C@@H]1CCCC[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001206606217 934882178 /nfs/dbraw/zinc/88/21/78/934882178.db2.gz HGAGZWNJXQQLCX-AWEZNQCLSA-N 2 3 265.445 1.827 20 0 CDADHP C[NH+]1CCC(C)(C[N@@H+]2CCCC[C@H](CN)C2)CC1 ZINC001206606326 940070252 /nfs/dbraw/zinc/07/02/52/940070252.db2.gz KYHIZFDDSAVZKO-CQSZACIVSA-N 2 3 253.434 1.779 20 0 CDADHP C[NH+]1CCC(C)(C[N@H+]2CCCC[C@H](CN)C2)CC1 ZINC001206606326 940070254 /nfs/dbraw/zinc/07/02/54/940070254.db2.gz KYHIZFDDSAVZKO-CQSZACIVSA-N 2 3 253.434 1.779 20 0 CDADHP C[N@@H+](Cc1cc2c(s1)CCNC2)CC1CC[NH2+]CC1 ZINC001235434011 944154009 /nfs/dbraw/zinc/15/40/09/944154009.db2.gz WUDYESXAPHZLEZ-UHFFFAOYSA-N 2 3 279.453 1.825 20 0 CDADHP C[N@H+](Cc1cc2c(s1)CCNC2)CC1CC[NH2+]CC1 ZINC001235434011 944154016 /nfs/dbraw/zinc/15/40/16/944154016.db2.gz WUDYESXAPHZLEZ-UHFFFAOYSA-N 2 3 279.453 1.825 20 0 CDADHP CC1(CN2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[NH2+]CC1 ZINC001236013141 944371347 /nfs/dbraw/zinc/37/13/47/944371347.db2.gz YJCSEYPJPABSLD-MJGOQNOKSA-N 2 3 299.462 1.849 20 0 CDADHP CC[C@@H](N)C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236948818 944621076 /nfs/dbraw/zinc/62/10/76/944621076.db2.gz SNUSSRKQBUUGKH-OAHLLOKOSA-N 2 3 253.434 1.825 20 0 CDADHP CCC[NH+]1CCC(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])CC1 ZINC001258768578 945406553 /nfs/dbraw/zinc/40/65/53/945406553.db2.gz SMCNJOFLEIAZLB-BZUAXINKSA-N 2 3 299.459 1.175 20 0 CDADHP C[C@H]1CC[C@@H](CNC2CCC3(CC2)C[NH2+]CCO3)[NH2+]C1 ZINC001246105963 947957397 /nfs/dbraw/zinc/95/73/97/947957397.db2.gz CHVBJIYKPMQQBG-UIDBIOKJSA-N 2 3 281.444 1.265 20 0 CDADHP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H]3C[NH2+]C[C@H]23)CCN1 ZINC001246134357 947980492 /nfs/dbraw/zinc/98/04/92/947980492.db2.gz UBZVDTAALWJWAO-OWYFMNJBSA-N 2 3 279.472 1.988 20 0 CDADHP CC(C)[C@@H]1C[C@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]1 ZINC001246148362 947989485 /nfs/dbraw/zinc/98/94/85/947989485.db2.gz RPXZGUBOQBHVAJ-OAGGEKHMSA-N 2 3 294.487 1.227 20 0 CDADHP C([NH2+]C1CCC(N2CCOCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC001246199227 948023913 /nfs/dbraw/zinc/02/39/13/948023913.db2.gz KYLIIZCPAGNWHV-FHERZECASA-N 2 3 281.444 1.219 20 0 CDADHP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCN1 ZINC001246225975 948039532 /nfs/dbraw/zinc/03/95/32/948039532.db2.gz SHGCULWYGNEBPY-APIJFGDWSA-N 2 3 251.418 1.639 20 0 CDADHP c1ccc(CC2(C[NH2+]C3CCNCC3)CC[NH2+]CC2)nc1 ZINC001246422294 948167551 /nfs/dbraw/zinc/16/75/51/948167551.db2.gz SSGYBLXVIUPCQF-UHFFFAOYSA-N 2 3 288.439 1.336 20 0 CDADHP [NH3+]CCCNCCC[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC001246454418 948182391 /nfs/dbraw/zinc/18/23/91/948182391.db2.gz SGHWHKLBGDPSEI-DLBZAZTESA-N 2 3 290.455 1.398 20 0 CDADHP C[C@H]1C[N@@H+](C2CCN(c3cc[nH+]cc3)CC2)C[C@H]1CN ZINC001246538254 948238281 /nfs/dbraw/zinc/23/82/81/948238281.db2.gz ATZJNHDCKOSBQC-UONOGXRCSA-N 2 3 274.412 1.577 20 0 CDADHP C[C@H]1C[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C[C@H]1CN ZINC001246538254 948238291 /nfs/dbraw/zinc/23/82/91/948238291.db2.gz ATZJNHDCKOSBQC-UONOGXRCSA-N 2 3 274.412 1.577 20 0 CDADHP CC[NH+](CC)CCC[C@H](C)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246619390 948353036 /nfs/dbraw/zinc/35/30/36/948353036.db2.gz QLLDSYISOCQURE-ULQDDVLXSA-N 2 3 296.503 1.523 20 0 CDADHP C[NH2+]CC1CCN([C@@H]2CC[NH2+][C@H](C(C)C)C2)CC1 ZINC001246782526 948434386 /nfs/dbraw/zinc/43/43/86/948434386.db2.gz SRVHXEPNGBZJCM-CABCVRRESA-N 2 3 253.434 1.694 20 0 CDADHP CC1([NH+]2CCCC2)CCC([NH2+]CC2CNC2)CC1 ZINC001576534959 1171450853 /nfs/dbraw/zinc/45/08/53/1171450853.db2.gz WJUSXFOAPUQKHX-UHFFFAOYSA-N 2 3 251.418 1.593 20 0 CDADHP C[C@@H]1CN(CCC[NH2+]C[C@@H]2CCC[NH2+]C2)CCCO1 ZINC001576807249 1171526209 /nfs/dbraw/zinc/52/62/09/1171526209.db2.gz ORZXJDLUKLSSJL-HUUCEWRRSA-N 2 3 269.433 1.077 20 0 CDADHP CCC[NH+]1CCC(NC[C@@H](CC[NH+](C)C)OCC)CC1 ZINC000165926783 539128266 /nfs/dbraw/zinc/12/82/66/539128266.db2.gz DTOCGOXQOSMMLE-MRXNPFEDSA-N 2 3 285.476 1.807 20 0 CDADHP [NH3+]C[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)CC[C@H]1C(F)(F)F ZINC000629565492 363010518 /nfs/dbraw/zinc/01/05/18/363010518.db2.gz VZFGVGKMGGOQSR-YNEHKIRRSA-N 2 3 293.377 1.835 20 0 CDADHP CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422850739 359662294 /nfs/dbraw/zinc/66/22/94/359662294.db2.gz DMVCAQUKAVZRFS-LTIDMASMSA-N 2 3 297.487 1.854 20 0 CDADHP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000422836308 359660688 /nfs/dbraw/zinc/66/06/88/359660688.db2.gz QYPMPEPQVCBZJW-UMVBOHGHSA-N 2 3 251.418 1.448 20 0 CDADHP CC(C)[C@H](CN)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000634996230 360624763 /nfs/dbraw/zinc/62/47/63/360624763.db2.gz DMNZMSAFABOTMT-FZKCQIBNSA-N 2 3 283.460 1.436 20 0 CDADHP CC(C)[C@H](CN)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000634996230 360624765 /nfs/dbraw/zinc/62/47/65/360624765.db2.gz DMNZMSAFABOTMT-FZKCQIBNSA-N 2 3 283.460 1.436 20 0 CDADHP CC(C)[C@H](C[NH3+])CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000634996230 360624770 /nfs/dbraw/zinc/62/47/70/360624770.db2.gz DMNZMSAFABOTMT-FZKCQIBNSA-N 2 3 283.460 1.436 20 0 CDADHP C[NH+](C)C1CCN(CCN[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422820283 245295682 /nfs/dbraw/zinc/29/56/82/245295682.db2.gz PUUJUBHGTIYCRP-GDBMZVCRSA-N 2 3 282.476 1.120 20 0 CDADHP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000422820283 245295687 /nfs/dbraw/zinc/29/56/87/245295687.db2.gz PUUJUBHGTIYCRP-GDBMZVCRSA-N 2 3 282.476 1.120 20 0 CDADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1cccc(C[NH+](C)C)c1 ZINC000422804653 245278045 /nfs/dbraw/zinc/27/80/45/245278045.db2.gz HZUUXXBNZJPRHU-JQFCIGGWSA-N 2 3 291.439 1.590 20 0 CDADHP C[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C[C@@H]1CN ZINC000647992555 391699423 /nfs/dbraw/zinc/69/94/23/391699423.db2.gz OFFYLHAGKIVRDO-HIFRSBDPSA-N 2 3 253.434 1.683 20 0 CDADHP C[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C[C@@H]1CN ZINC000647992555 391699428 /nfs/dbraw/zinc/69/94/28/391699428.db2.gz OFFYLHAGKIVRDO-HIFRSBDPSA-N 2 3 253.434 1.683 20 0 CDADHP C[C@@H]1CCN(CCCC2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000647992555 391699430 /nfs/dbraw/zinc/69/94/30/391699430.db2.gz OFFYLHAGKIVRDO-HIFRSBDPSA-N 2 3 253.434 1.683 20 0 CDADHP CC[NH+](CC)CCOCCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000423040884 392294676 /nfs/dbraw/zinc/29/46/76/392294676.db2.gz VFGGZRZFSZJCNU-HUUCEWRRSA-N 2 3 271.449 1.323 20 0 CDADHP C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423167394 287029840 /nfs/dbraw/zinc/02/98/40/287029840.db2.gz FAVORTUMQOAKAT-QLFBSQMISA-N 2 3 253.434 1.839 20 0 CDADHP C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423167394 287029842 /nfs/dbraw/zinc/02/98/42/287029842.db2.gz FAVORTUMQOAKAT-QLFBSQMISA-N 2 3 253.434 1.839 20 0 CDADHP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662260583 414595091 /nfs/dbraw/zinc/59/50/91/414595091.db2.gz POVAYWBYCKSFPL-MRXNPFEDSA-N 2 3 295.471 1.560 20 0 CDADHP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662260583 414595094 /nfs/dbraw/zinc/59/50/94/414595094.db2.gz POVAYWBYCKSFPL-MRXNPFEDSA-N 2 3 295.471 1.560 20 0 CDADHP C([C@H]1CC[NH2+]C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293408 414619594 /nfs/dbraw/zinc/61/95/94/414619594.db2.gz KSBZGWCWYBJYIW-DZGCQCFKSA-N 2 3 251.418 1.308 20 0 CDADHP C[C@@H]1C[C@@H](CNC[C@H]2[NH2+]CCCC2(C)C)CC[NH2+]1 ZINC000414927442 297255513 /nfs/dbraw/zinc/25/55/13/297255513.db2.gz LXGCXDXAOKKJIA-HZSPNIEDSA-N 2 3 253.434 1.742 20 0 CDADHP C[C@H]1CCNCC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000335027751 299998663 /nfs/dbraw/zinc/99/86/63/299998663.db2.gz IXNHRUORMLLOIH-VXGQWTEUSA-N 2 3 253.434 1.837 20 0 CDADHP CC(C)(C)[NH+]1CCC(N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000666954592 483017651 /nfs/dbraw/zinc/01/76/51/483017651.db2.gz YLSOQMMWTCWYNZ-CQSZACIVSA-N 2 3 265.445 1.981 20 0 CDADHP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925879280 778589272 /nfs/dbraw/zinc/58/92/72/778589272.db2.gz AFMHOFVINYXPAY-LCGIIJARSA-N 2 3 265.445 1.872 20 0 CDADHP [NH3+]CCCCCC[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001236584378 915749906 /nfs/dbraw/zinc/74/99/06/915749906.db2.gz AFHLPIYVFQYQPB-CQSZACIVSA-N 2 3 253.434 1.970 20 0 CDADHP [NH3+]CCCCCC[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001236584378 915749926 /nfs/dbraw/zinc/74/99/26/915749926.db2.gz AFHLPIYVFQYQPB-CQSZACIVSA-N 2 3 253.434 1.970 20 0 CDADHP C[C@@H]1CC([N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)C[C@@H](C)N1 ZINC001246564577 931797310 /nfs/dbraw/zinc/79/73/10/931797310.db2.gz XWQOLUOUYWMMPY-DGAVXFQQSA-N 2 3 253.434 1.822 20 0 CDADHP C[C@@H]1CC([N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)C[C@@H](C)N1 ZINC001246564577 931797312 /nfs/dbraw/zinc/79/73/12/931797312.db2.gz XWQOLUOUYWMMPY-DGAVXFQQSA-N 2 3 253.434 1.822 20 0 CDADHP C[C@@H]1CC([N@@H+]2CCC[C@@](C)(C[NH3+])CC2)C[C@@H](C)N1 ZINC001246578493 931935714 /nfs/dbraw/zinc/93/57/14/931935714.db2.gz RGMALCIHNRLVRS-UMVBOHGHSA-N 2 3 253.434 1.966 20 0 CDADHP C[C@@H]1CC([N@H+]2CCC[C@@](C)(C[NH3+])CC2)C[C@@H](C)N1 ZINC001246578493 931935717 /nfs/dbraw/zinc/93/57/17/931935717.db2.gz RGMALCIHNRLVRS-UMVBOHGHSA-N 2 3 253.434 1.966 20 0 CDADHP C[C@H]1[C@@H](C[NH3+])CCCN1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001205902098 939953693 /nfs/dbraw/zinc/95/36/93/939953693.db2.gz HZXUFCAMTYEJDS-XJKSGUPXSA-N 2 3 273.424 1.892 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C[C@H]2C)C[C@H](C)N1 ZINC001246096817 947946281 /nfs/dbraw/zinc/94/62/81/947946281.db2.gz LSGWTPIVWONKPT-NIFZNCRKSA-N 2 3 253.434 1.741 20 0 CDADHP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C2 ZINC001246197704 948022507 /nfs/dbraw/zinc/02/25/07/948022507.db2.gz LDVKYHLVKOOJTM-APIJFGDWSA-N 2 3 251.418 1.591 20 0 CDADHP F[C@H]1CCNC[C@H]1C[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246224645 948037505 /nfs/dbraw/zinc/03/75/05/948037505.db2.gz XWTSVSBAJSOWPP-ZFWWWQNUSA-N 2 3 283.435 1.836 20 0 CDADHP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC3(CC[NH2+]CC3)C2)CCN1 ZINC001246256703 948059600 /nfs/dbraw/zinc/05/96/00/948059600.db2.gz PSNKSUHUJLUBQZ-MCIONIFRSA-N 2 3 267.417 1.018 20 0 CDADHP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)CCN1 ZINC001246276681 948072393 /nfs/dbraw/zinc/07/23/93/948072393.db2.gz FIADKKYSKIEHQF-IHRRRGAJSA-N 2 3 253.434 1.742 20 0 CDADHP CC1(C)CNCC[C@@H]1[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246369171 948138996 /nfs/dbraw/zinc/13/89/96/948138996.db2.gz CAWCVXXSUCLPDF-YCPHGPKFSA-N 2 3 265.445 1.886 20 0 CDADHP CCCC[C@@H]1C[C@@H](N2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246596703 948333236 /nfs/dbraw/zinc/33/32/36/948333236.db2.gz QLHWCWMGVGYTRZ-CVEARBPZSA-N 2 3 294.487 1.325 20 0 CDADHP F[C@@H]1CCNC[C@]12CC[N@@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246693825 948407111 /nfs/dbraw/zinc/40/71/11/948407111.db2.gz QUGGBOLUTYLKQD-UXLLHSPISA-N 2 3 295.446 1.932 20 0 CDADHP F[C@@H]1CCNC[C@]12CC[N@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246693825 948407112 /nfs/dbraw/zinc/40/71/12/948407112.db2.gz QUGGBOLUTYLKQD-UXLLHSPISA-N 2 3 295.446 1.932 20 0 CDADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC001553024850 964487695 /nfs/dbraw/zinc/48/76/95/964487695.db2.gz SFCJFDQCAYCHLN-FBRBKTQXSA-N 2 3 277.456 1.741 20 0 CDADHP C[C@@H]1C[NH2+]CC[C@H]1C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000634734141 358072974 /nfs/dbraw/zinc/07/29/74/358072974.db2.gz XXQQSRVQASDQQZ-HZSPNIEDSA-N 2 3 253.434 1.600 20 0 CDADHP CC(C)[C@H](C[NH3+])CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000634991159 360616025 /nfs/dbraw/zinc/61/60/25/360616025.db2.gz RYUCCIBTGHGNMH-HUUCEWRRSA-N 2 3 253.434 1.681 20 0 CDADHP CC(C)[C@H](CN)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000634991159 360616027 /nfs/dbraw/zinc/61/60/27/360616027.db2.gz RYUCCIBTGHGNMH-HUUCEWRRSA-N 2 3 253.434 1.681 20 0 CDADHP C[C@H]1C[C@@H](CN2CCC([N@H+](C)CCCO)CC2)CC[NH2+]1 ZINC000414691775 241326764 /nfs/dbraw/zinc/32/67/64/241326764.db2.gz JLVAZDPFJDWBQR-GJZGRUSLSA-N 2 3 283.460 1.153 20 0 CDADHP C[C@H]1C[C@@H](CN2CCC([N@@H+](C)CCCO)CC2)CC[NH2+]1 ZINC000414691775 241326768 /nfs/dbraw/zinc/32/67/68/241326768.db2.gz JLVAZDPFJDWBQR-GJZGRUSLSA-N 2 3 283.460 1.153 20 0 CDADHP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CCCNC1 ZINC000516855039 367196807 /nfs/dbraw/zinc/19/68/07/367196807.db2.gz NXEYCQLYNRYVAD-CYUUQNCZSA-N 2 3 251.418 1.352 20 0 CDADHP CCCN(C)C[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420326185 244087947 /nfs/dbraw/zinc/08/79/47/244087947.db2.gz XGIDUTXJXGUQMC-CABCVRRESA-N 2 3 253.434 1.650 20 0 CDADHP CCCN(C)C[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420326185 244087950 /nfs/dbraw/zinc/08/79/50/244087950.db2.gz XGIDUTXJXGUQMC-CABCVRRESA-N 2 3 253.434 1.650 20 0 CDADHP CCC[N@H+](C)C[C@@H]1CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000420326185 244087954 /nfs/dbraw/zinc/08/79/54/244087954.db2.gz XGIDUTXJXGUQMC-CABCVRRESA-N 2 3 253.434 1.650 20 0 CDADHP CCC[N@@H+](C)C[C@@H]1CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000420326185 244087957 /nfs/dbraw/zinc/08/79/57/244087957.db2.gz XGIDUTXJXGUQMC-CABCVRRESA-N 2 3 253.434 1.650 20 0 CDADHP C[C@@H](N)C[C@@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665298913 414041191 /nfs/dbraw/zinc/04/11/91/414041191.db2.gz CFAWDGYZFBMIJR-CHWSQXEVSA-N 2 3 253.434 1.824 20 0 CDADHP C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652339989 424260347 /nfs/dbraw/zinc/26/03/47/424260347.db2.gz WSDPVLVOOVFCCK-SWLSCSKDSA-N 2 3 259.397 1.501 20 0 CDADHP CC[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000423541613 288072616 /nfs/dbraw/zinc/07/26/16/288072616.db2.gz FQFBJPRRVHXBRP-RMEBNNNOSA-N 2 3 251.418 1.495 20 0 CDADHP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCN1 ZINC000423541613 288072618 /nfs/dbraw/zinc/07/26/18/288072618.db2.gz FQFBJPRRVHXBRP-RMEBNNNOSA-N 2 3 251.418 1.495 20 0 CDADHP C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C[C@@H](C)O1 ZINC000422913967 288160810 /nfs/dbraw/zinc/16/08/10/288160810.db2.gz RHNACHDNWOPEOV-YLFCFFPRSA-N 2 3 297.487 1.854 20 0 CDADHP C[NH+](C)C1CCC([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000423276925 289066366 /nfs/dbraw/zinc/06/63/66/289066366.db2.gz NPOZAJAFFVYQQG-PPWQZUPISA-N 2 3 253.434 1.966 20 0 CDADHP C[C@H]1CN(CCCC[NH2+]C2CCC(C[NH3+])CC2)C[C@H](C)O1 ZINC000422914743 300254989 /nfs/dbraw/zinc/25/49/89/300254989.db2.gz VTRAYCAVJZIZCY-JUVOFCAFSA-N 2 3 297.487 1.983 20 0 CDADHP CCN1CCN(C[C@H](C)C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422710429 535718092 /nfs/dbraw/zinc/71/80/92/535718092.db2.gz FPXKKEJMTXZBAS-ZACQAIPSSA-N 2 3 296.503 1.238 20 0 CDADHP C([NH2+][C@@H]1CCNC[C@H]1C1CCCC1)C1CC[NH2+]CC1 ZINC000925688709 617681921 /nfs/dbraw/zinc/68/19/21/617681921.db2.gz DBBXNPROJFTEQI-JKSUJKDBSA-N 2 3 265.445 1.744 20 0 CDADHP CN1CCCC[C@@H](C[NH2+]C2CC3(C2)CC[NH2+]CC3)C1 ZINC001578527967 1167686652 /nfs/dbraw/zinc/68/66/52/1167686652.db2.gz ABHUSMODVISDBV-AWEZNQCLSA-N 2 3 265.445 1.840 20 0 CDADHP CCCC[N@H+](C)CC1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923320887 923742112 /nfs/dbraw/zinc/74/21/12/923742112.db2.gz HXMPMWSKVHVXEY-JYJNAYRXSA-N 2 3 283.460 1.281 20 0 CDADHP CCCC[N@@H+](C)CC1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923320887 923742121 /nfs/dbraw/zinc/74/21/21/923742121.db2.gz HXMPMWSKVHVXEY-JYJNAYRXSA-N 2 3 283.460 1.281 20 0 CDADHP C[C@@H]1CC([N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)C[C@@H](C)N1 ZINC001246563534 931791473 /nfs/dbraw/zinc/79/14/73/931791473.db2.gz XGRRZEBSNMOLML-REWJHTLYSA-N 2 3 253.434 1.822 20 0 CDADHP C[C@@H]1CC([N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)C[C@@H](C)N1 ZINC001246563534 931791479 /nfs/dbraw/zinc/79/14/79/931791479.db2.gz XGRRZEBSNMOLML-REWJHTLYSA-N 2 3 253.434 1.822 20 0 CDADHP NCC[C@@H]1CCC[N@@H+]1[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246847738 932245440 /nfs/dbraw/zinc/24/54/40/932245440.db2.gz RXZIPGHSEFYQDJ-ZNMIVQPWSA-N 2 3 251.418 1.722 20 0 CDADHP NCC[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246847738 932245444 /nfs/dbraw/zinc/24/54/44/932245444.db2.gz RXZIPGHSEFYQDJ-ZNMIVQPWSA-N 2 3 251.418 1.722 20 0 CDADHP C[C@H]1CC[C@H](CN)C[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001206760707 940085478 /nfs/dbraw/zinc/08/54/78/940085478.db2.gz KKURGMGNNMMUIQ-UONOGXRCSA-N 2 3 265.445 1.825 20 0 CDADHP C[C@H]1CC[C@H](CN)C[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001206760707 940085482 /nfs/dbraw/zinc/08/54/82/940085482.db2.gz KKURGMGNNMMUIQ-UONOGXRCSA-N 2 3 265.445 1.825 20 0 CDADHP CCCN1C[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]2C1 ZINC001207442257 940197275 /nfs/dbraw/zinc/19/72/75/940197275.db2.gz VZDIGXHQJKXVNA-GASCZTMLSA-N 2 3 251.418 1.260 20 0 CDADHP CCCN1C[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]2C1 ZINC001207442257 940197276 /nfs/dbraw/zinc/19/72/76/940197276.db2.gz VZDIGXHQJKXVNA-GASCZTMLSA-N 2 3 251.418 1.260 20 0 CDADHP C(C[N@@H+]1CCCC[C@@]12CCCNC2)C1CC[NH2+]CC1 ZINC001235169429 944077690 /nfs/dbraw/zinc/07/76/90/944077690.db2.gz AQNOGSFYAWNUPU-INIZCTEOSA-N 2 3 265.445 1.984 20 0 CDADHP C(C[N@H+]1CCCC[C@@]12CCCNC2)C1CC[NH2+]CC1 ZINC001235169429 944077699 /nfs/dbraw/zinc/07/76/99/944077699.db2.gz AQNOGSFYAWNUPU-INIZCTEOSA-N 2 3 265.445 1.984 20 0 CDADHP C(C[N@H+](C[C@@H]1CCCNC1)C1CCCC1)C1C[NH2+]C1 ZINC001236371764 944486205 /nfs/dbraw/zinc/48/62/05/944486205.db2.gz MXOGOUJKLPTLOD-OAHLLOKOSA-N 2 3 265.445 1.840 20 0 CDADHP C(C[N@@H+](C[C@@H]1CCCNC1)C1CCCC1)C1C[NH2+]C1 ZINC001236371764 944486208 /nfs/dbraw/zinc/48/62/08/944486208.db2.gz MXOGOUJKLPTLOD-OAHLLOKOSA-N 2 3 265.445 1.840 20 0 CDADHP [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc4c(c3)CC[NH2+]C4)C[C@@H]12 ZINC001236822431 944579851 /nfs/dbraw/zinc/57/98/51/944579851.db2.gz YPOYQCFSXAPKNC-GVDBMIGSSA-N 2 3 271.408 1.501 20 0 CDADHP [NH3+][C@@H]1CC[C@H]2CN(Cc3cc4c(s3)C[NH2+]CC4)C[C@@H]12 ZINC001236828224 944585499 /nfs/dbraw/zinc/58/54/99/944585499.db2.gz HKPMKLOFKGMFRI-IACUBPJLSA-N 2 3 277.437 1.563 20 0 CDADHP C[C@@H]1CC[NH2+]CC[C@@H]1C[NH2+][C@H]1CCNC(C)(C)C1 ZINC001246106949 947957847 /nfs/dbraw/zinc/95/78/47/947957847.db2.gz GKXKHXYVXMAGMW-MCIONIFRSA-N 2 3 253.434 1.742 20 0 CDADHP C([NH2+]C1CCNCC1)C1CC[NH+](CC2CCC2)CC1 ZINC001246366682 948139913 /nfs/dbraw/zinc/13/99/13/948139913.db2.gz PQHHJDPMJJCDGS-UHFFFAOYSA-N 2 3 265.445 1.840 20 0 CDADHP CC[NH+](CC)C1CCC([NH2+]CCCC[C@H](N)C(N)=O)CC1 ZINC001246402860 948157158 /nfs/dbraw/zinc/15/71/58/948157158.db2.gz BUUWAKSIXQBOPE-NRXISQOPSA-N 2 3 298.475 1.212 20 0 CDADHP C[NH+](C)Cc1cccc(CNC2CC[NH+](C)CC2)c1 ZINC001256194518 948225057 /nfs/dbraw/zinc/22/50/57/948225057.db2.gz FOPAOPLSYCVXFO-UHFFFAOYSA-N 2 3 261.413 1.932 20 0 CDADHP C[C@H]1C[C@H]([N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCN1 ZINC001246679908 948402855 /nfs/dbraw/zinc/40/28/55/948402855.db2.gz ZLTIDLJBIVNCKP-ZJIFWQFVSA-N 2 3 265.445 1.839 20 0 CDADHP C[C@H]1C[C@H]([N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCN1 ZINC001246679908 948402858 /nfs/dbraw/zinc/40/28/58/948402858.db2.gz ZLTIDLJBIVNCKP-ZJIFWQFVSA-N 2 3 265.445 1.839 20 0 CDADHP NCC[C@@H]1CCC[N@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246833097 948466350 /nfs/dbraw/zinc/46/63/50/948466350.db2.gz LHHQPCDHPRMOTI-NFOMZHRRSA-N 2 3 251.418 1.722 20 0 CDADHP NCC[C@@H]1CCC[N@@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246833097 948466345 /nfs/dbraw/zinc/46/63/45/948466345.db2.gz LHHQPCDHPRMOTI-NFOMZHRRSA-N 2 3 251.418 1.722 20 0 CDADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+]C[C@@H]1CC[C@@H]([NH3+])C1 ZINC001553028375 964494570 /nfs/dbraw/zinc/49/45/70/964494570.db2.gz WRQDITLOHYETQC-RGDJUOJXSA-N 2 3 251.418 1.480 20 0 CDADHP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CCN1 ZINC001549338367 968143679 /nfs/dbraw/zinc/14/36/79/968143679.db2.gz YRRJDAUDPLHDLL-CZUORRHYSA-N 2 3 265.445 1.839 20 0 CDADHP C(C[N@@H+]1CC[C@]2(C1)CCCNC2)C1CC[NH2+]CC1 ZINC000335002229 539060443 /nfs/dbraw/zinc/06/04/43/539060443.db2.gz WEGOCCCQRMGQJM-OAHLLOKOSA-N 2 3 251.418 1.452 20 0 CDADHP C(C[N@H+]1CC[C@]2(C1)CCCNC2)C1CC[NH2+]CC1 ZINC000335002229 539060444 /nfs/dbraw/zinc/06/04/44/539060444.db2.gz WEGOCCCQRMGQJM-OAHLLOKOSA-N 2 3 251.418 1.452 20 0 CDADHP C[C@@H]1C[C@H](C[NH2+][C@H]2CCNCC(C)(C)C2)CC[NH2+]1 ZINC000634733379 358071625 /nfs/dbraw/zinc/07/16/25/358071625.db2.gz DONXLDCQJOFRGB-MCIONIFRSA-N 2 3 253.434 1.742 20 0 CDADHP C[C@H](CCCC[NH3+])[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000423095595 359750074 /nfs/dbraw/zinc/75/00/74/359750074.db2.gz FQJFRRIZHBELFT-CQSZACIVSA-N 2 3 270.465 1.120 20 0 CDADHP CSC1(C[NH2+][C@H]2CCCC[C@@H]2CN)CC[NH+](C)CC1 ZINC000423118974 359751460 /nfs/dbraw/zinc/75/14/60/359751460.db2.gz AVVZNVLMOUYDKG-KGLIPLIRSA-N 2 3 285.501 1.921 20 0 CDADHP CSC1(C[NH2+][C@H]2CCC[C@H]2CN)CC[NH+](C)CC1 ZINC000423118835 359751498 /nfs/dbraw/zinc/75/14/98/359751498.db2.gz AKEUUKFPROGATE-STQMWFEESA-N 2 3 271.474 1.531 20 0 CDADHP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CC12CC[NH2+]CC2 ZINC000643536649 361213805 /nfs/dbraw/zinc/21/38/05/361213805.db2.gz UAMPHIATTIRWFJ-IMJJTQAJSA-N 2 3 273.424 1.677 20 0 CDADHP C[NH2+]C[C@H]1CCCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923280494 781943150 /nfs/dbraw/zinc/94/31/50/781943150.db2.gz AZRYTCVHMPZRNR-VIYLOZMYSA-N 2 3 265.445 1.839 20 0 CDADHP C[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C[C@H]1CN ZINC000647992554 391700013 /nfs/dbraw/zinc/70/00/13/391700013.db2.gz OFFYLHAGKIVRDO-DZGCQCFKSA-N 2 3 253.434 1.683 20 0 CDADHP C[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C[C@H]1CN ZINC000647992554 391700014 /nfs/dbraw/zinc/70/00/14/391700014.db2.gz OFFYLHAGKIVRDO-DZGCQCFKSA-N 2 3 253.434 1.683 20 0 CDADHP C[C@H]1CCN(CCCC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000647992554 391700015 /nfs/dbraw/zinc/70/00/15/391700015.db2.gz OFFYLHAGKIVRDO-DZGCQCFKSA-N 2 3 253.434 1.683 20 0 CDADHP C[C@H]1C[NH2+]CC[C@H]1C[N@@H+]1C[C@@H](CN)[C@H](C)C[C@@H]1C ZINC000663496749 423890160 /nfs/dbraw/zinc/89/01/60/423890160.db2.gz JAUMJMSRCVDOPU-CAEXGNQWSA-N 2 3 253.434 1.537 20 0 CDADHP C[C@H]1C[NH2+]CC[C@H]1C[N@H+]1C[C@@H](CN)[C@H](C)C[C@@H]1C ZINC000663496749 423890169 /nfs/dbraw/zinc/89/01/69/423890169.db2.gz JAUMJMSRCVDOPU-CAEXGNQWSA-N 2 3 253.434 1.537 20 0 CDADHP N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925817200 617772707 /nfs/dbraw/zinc/77/27/07/617772707.db2.gz NKENBPLGCUBHOR-IRXDYDNUSA-N 2 3 288.439 1.061 20 0 CDADHP CCN(C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCC[NH2+]CC1 ZINC000903746173 626071050 /nfs/dbraw/zinc/07/10/50/626071050.db2.gz VWUZDNGKLKUIAH-JKSUJKDBSA-N 2 3 295.471 1.609 20 0 CDADHP C([C@H]1CCCC[NH2+]C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000903749565 626071936 /nfs/dbraw/zinc/07/19/36/626071936.db2.gz LXMFHZFPXJEPIE-GOEBONIOSA-N 2 3 265.445 1.698 20 0 CDADHP CC1(C)CNCC[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903919342 626146456 /nfs/dbraw/zinc/14/64/56/626146456.db2.gz MRCFYAPEKIXJBH-WTUNAVPPSA-N 2 3 251.418 1.495 20 0 CDADHP CC(C)(C)CC[C@@H]([NH3+])CN[C@H]1CC12CC[NH2+]CC2 ZINC000904354898 626263444 /nfs/dbraw/zinc/26/34/44/626263444.db2.gz KSWUZZKNHYVSKU-OLZOCXBDSA-N 2 3 253.434 1.872 20 0 CDADHP C[C@H]1[C@@H](CN)CCC[N@@H+]1C1CCC2(C[NH2+]C2)CC1 ZINC001246561811 931787792 /nfs/dbraw/zinc/78/77/92/931787792.db2.gz GLQCDJWUFHLPLE-QWHCGFSZSA-N 2 3 251.418 1.578 20 0 CDADHP C[C@H]1[C@@H](CN)CCC[N@H+]1C1CCC2(C[NH2+]C2)CC1 ZINC001246561811 931787793 /nfs/dbraw/zinc/78/77/93/931787793.db2.gz GLQCDJWUFHLPLE-QWHCGFSZSA-N 2 3 251.418 1.578 20 0 CDADHP C[C@H]1[C@H](C[NH3+])CCCN1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001205902094 939953159 /nfs/dbraw/zinc/95/31/59/939953159.db2.gz HZXUFCAMTYEJDS-BBRMVZONSA-N 2 3 273.424 1.892 20 0 CDADHP CC1(C[N@@H+]2CC[C@@]3(C2)CCCCN3)CC[NH2+]CC1 ZINC001222421413 941594071 /nfs/dbraw/zinc/59/40/71/941594071.db2.gz LWHSNHAYASOVSS-OAHLLOKOSA-N 2 3 251.418 1.594 20 0 CDADHP CC1(C[N@H+]2CC[C@@]3(C2)CCCCN3)CC[NH2+]CC1 ZINC001222421413 941594072 /nfs/dbraw/zinc/59/40/72/941594072.db2.gz LWHSNHAYASOVSS-OAHLLOKOSA-N 2 3 251.418 1.594 20 0 CDADHP C[C@@H]1CC([NH2+]C[C@H]2CC[NH2+]CC[C@H]2C)C[C@@H](C)N1 ZINC001246112699 947963346 /nfs/dbraw/zinc/96/33/46/947963346.db2.gz RHVOCYQUDCCHIA-AAVRWANBSA-N 2 3 253.434 1.741 20 0 CDADHP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CCC[C@@H]1C[NH3+] ZINC001246573715 948295180 /nfs/dbraw/zinc/29/51/80/948295180.db2.gz ZCYFRMFRDDTWPI-DGXTUMSLSA-N 2 3 265.445 1.966 20 0 CDADHP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CCC[C@@H]1C[NH3+] ZINC001246573715 948295190 /nfs/dbraw/zinc/29/51/90/948295190.db2.gz ZCYFRMFRDDTWPI-DGXTUMSLSA-N 2 3 265.445 1.966 20 0 CDADHP C1NCC12C[C@@H]([NH+]1CCC([C@@H]3CCCC[NH2+]3)CC1)CCO2 ZINC001246656877 948392754 /nfs/dbraw/zinc/39/27/54/948392754.db2.gz OKUGGVHRQFGUAA-HOTGVXAUSA-N 2 3 293.455 1.362 20 0 CDADHP C[C@@H]1C[C@@H]([NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)CCN1 ZINC001246658085 948393083 /nfs/dbraw/zinc/39/30/83/948393083.db2.gz TWZRGZZWUZMMRV-KBMXLJTQSA-N 2 3 265.445 1.981 20 0 CDADHP C[C@@H]1C[C@@H](N2CCC([C@@H]3CCCC[NH2+]3)CC2)CC[NH2+]1 ZINC001246658085 948393089 /nfs/dbraw/zinc/39/30/89/948393089.db2.gz TWZRGZZWUZMMRV-KBMXLJTQSA-N 2 3 265.445 1.981 20 0 CDADHP NCC[C@@H]1CCC[N@@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246835224 948467207 /nfs/dbraw/zinc/46/72/07/948467207.db2.gz ZMPRSCDYLDHBBX-UONOGXRCSA-N 2 3 251.418 1.722 20 0 CDADHP NCC[C@@H]1CCC[N@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246835224 948467213 /nfs/dbraw/zinc/46/72/13/948467213.db2.gz ZMPRSCDYLDHBBX-UONOGXRCSA-N 2 3 251.418 1.722 20 0 CDADHP C1C[C@]2(C[NH2+]1)CCC[C@H](N1C[C@H]3CC[C@@H](C1)[NH2+]C3)C2 ZINC001246869999 948495789 /nfs/dbraw/zinc/49/57/89/948495789.db2.gz XRJQCVULKLIFMR-YHUYYLMFSA-N 2 3 263.429 1.593 20 0 CDADHP C([C@@H]1CCCNC1)[N@H+](C1CC1)C1CCC2(C[NH2+]C2)CC1 ZINC001246972566 948549436 /nfs/dbraw/zinc/54/94/36/948549436.db2.gz KMMBWUKSUVBGFV-CQSZACIVSA-N 2 3 277.456 1.983 20 0 CDADHP C([C@@H]1CCCNC1)[N@@H+](C1CC1)C1CCC2(C[NH2+]C2)CC1 ZINC001246972566 948549443 /nfs/dbraw/zinc/54/94/43/948549443.db2.gz KMMBWUKSUVBGFV-CQSZACIVSA-N 2 3 277.456 1.983 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H]1CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001550349421 965870539 /nfs/dbraw/zinc/87/05/39/965870539.db2.gz OJZGVTURDIQHOI-JKJDWNRSSA-N 2 3 281.444 1.060 20 0 CDADHP [NH3+]C[C@]12CCC[C@@H]1CN(Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC001549113241 968026298 /nfs/dbraw/zinc/02/62/98/968026298.db2.gz PFTDQIHCXQXJJT-MSOLQXFVSA-N 2 3 285.435 1.893 20 0 CDADHP C(C[NH+]1CCC(N2CCCCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000089749181 357503737 /nfs/dbraw/zinc/50/37/37/357503737.db2.gz KPXBSPXSXJYCOC-OAHLLOKOSA-N 2 3 265.445 1.936 20 0 CDADHP C[C@H](NC1CCC([NH+](C)C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423539690 299270673 /nfs/dbraw/zinc/27/06/73/299270673.db2.gz BYAJYJGYWHSEFS-PPWQZUPISA-N 2 3 253.434 1.979 20 0 CDADHP C[C@@H]1CC[NH2+]CC[C@@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635012199 360657328 /nfs/dbraw/zinc/65/73/28/360657328.db2.gz RWICJHOKJMDMGS-HIFRSBDPSA-N 2 3 289.427 1.291 20 0 CDADHP [NH3+][C@@H]1CCO[C@@H](C2CCN(C[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000581548561 373084889 /nfs/dbraw/zinc/08/48/89/373084889.db2.gz MGRYAIVGSXWLKM-NUEKZKHPSA-N 2 3 281.444 1.204 20 0 CDADHP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](C[C@H]3CCCNC3)CC2)C1 ZINC000581548561 373084894 /nfs/dbraw/zinc/08/48/94/373084894.db2.gz MGRYAIVGSXWLKM-NUEKZKHPSA-N 2 3 281.444 1.204 20 0 CDADHP C([C@@H]1CCC[NH2+]C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000334852799 391965436 /nfs/dbraw/zinc/96/54/36/391965436.db2.gz ZYEIQMPXBPIGTM-HIFRSBDPSA-N 2 3 251.418 1.450 20 0 CDADHP C([C@@H]1CCCNC1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000334852799 391965445 /nfs/dbraw/zinc/96/54/45/391965445.db2.gz ZYEIQMPXBPIGTM-HIFRSBDPSA-N 2 3 251.418 1.450 20 0 CDADHP CC[N@H+](CCC1CC[NH2+]CC1)[C@@H]1CCCNCC1 ZINC000345203077 392121974 /nfs/dbraw/zinc/12/19/74/392121974.db2.gz LSJNMZASQWPGSG-OAHLLOKOSA-N 2 3 253.434 1.840 20 0 CDADHP CC[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCCNCC1 ZINC000345203077 392121981 /nfs/dbraw/zinc/12/19/81/392121981.db2.gz LSJNMZASQWPGSG-OAHLLOKOSA-N 2 3 253.434 1.840 20 0 CDADHP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)C1CNC1 ZINC000422874439 287021810 /nfs/dbraw/zinc/02/18/10/287021810.db2.gz CYFXYRDTSPZIBO-CQSZACIVSA-N 2 3 253.434 1.696 20 0 CDADHP CC[NH+](CC)CC1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903442417 625997309 /nfs/dbraw/zinc/99/73/09/625997309.db2.gz PNEFUFBKLVVHPM-ZBFHGGJFSA-N 2 3 267.461 1.896 20 0 CDADHP c1cc(N2CCC[N@@H+](CC3CC[NH2+]CC3)CC2)ccn1 ZINC001574440061 1170982195 /nfs/dbraw/zinc/98/21/95/1170982195.db2.gz LIOQDUQYYQGRLM-UHFFFAOYSA-N 2 3 274.412 1.593 20 0 CDADHP c1cc(N2CCC[N@H+](CC3CC[NH2+]CC3)CC2)ccn1 ZINC001574440061 1170982202 /nfs/dbraw/zinc/98/22/02/1170982202.db2.gz LIOQDUQYYQGRLM-UHFFFAOYSA-N 2 3 274.412 1.593 20 0 CDADHP C[NH+]1CCC(CC[NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000229936926 786744661 /nfs/dbraw/zinc/74/46/61/786744661.db2.gz LYUWYGCITUIFHP-CABCVRRESA-N 2 3 253.434 1.825 20 0 CDADHP CCN1CCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCCCC1 ZINC000848982555 788787813 /nfs/dbraw/zinc/78/78/13/788787813.db2.gz ADJFXOGTGNTPGS-HNNXBMFYSA-N 2 3 295.475 1.461 20 0 CDADHP [NH3+]C[C@H]1CCC[C@H]1NCc1cc2c(s1)CC[NH2+]C2 ZINC000873210592 789620165 /nfs/dbraw/zinc/62/01/65/789620165.db2.gz LHHWDCHKNISHLG-ZWNOBZJWSA-N 2 3 265.426 1.611 20 0 CDADHP C[N@H+]1C[C@H]2CN(C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@H]2C1 ZINC001167994739 905162410 /nfs/dbraw/zinc/16/24/10/905162410.db2.gz MSVLYJMNMWMCDB-FVGDGBDSSA-N 2 3 289.467 1.885 20 0 CDADHP C[N@@H+]1C[C@H]2CN(C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@H]2C1 ZINC001167994739 905162420 /nfs/dbraw/zinc/16/24/20/905162420.db2.gz MSVLYJMNMWMCDB-FVGDGBDSSA-N 2 3 289.467 1.885 20 0 CDADHP C[NH+]1C[C@H]2CN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@H]2C1 ZINC001167994739 905162425 /nfs/dbraw/zinc/16/24/25/905162425.db2.gz MSVLYJMNMWMCDB-FVGDGBDSSA-N 2 3 289.467 1.885 20 0 CDADHP C[NH+]1C[C@H]2CN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@H]2C1 ZINC001167994739 905162435 /nfs/dbraw/zinc/16/24/35/905162435.db2.gz MSVLYJMNMWMCDB-FVGDGBDSSA-N 2 3 289.467 1.885 20 0 CDADHP CN(C)C1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168315917 908997995 /nfs/dbraw/zinc/99/79/95/908997995.db2.gz QVACXPLDCXRJKP-UHFFFAOYSA-N 2 3 253.434 1.885 20 0 CDADHP C[C@@H]1CC[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC001246112147 931061648 /nfs/dbraw/zinc/06/16/48/931061648.db2.gz PXEKWWWRQBGLED-RBSFLKMASA-N 2 3 265.445 1.886 20 0 CDADHP C1[NH2+]CC12C[C@H](N[C@@H]1CC[NH2+]C3(CCCCC3)C1)CS2 ZINC001246514774 931565321 /nfs/dbraw/zinc/56/53/21/931565321.db2.gz REIWSRXWQDHABN-KGLIPLIRSA-N 2 3 295.496 1.878 20 0 CDADHP CN(C)c1cccc(NCCC[NH2+]CCCC[NH3+])n1 ZINC001162289407 938971962 /nfs/dbraw/zinc/97/19/62/938971962.db2.gz TZKZGRXUYWARFE-UHFFFAOYSA-N 2 3 265.405 1.278 20 0 CDADHP CC1(CN2CCC3(CCCC[NH2+]3)CC2)CC[NH2+]CC1 ZINC001222287283 941580703 /nfs/dbraw/zinc/58/07/03/941580703.db2.gz FSXKDKLGBXORHQ-UHFFFAOYSA-N 2 3 265.445 1.984 20 0 CDADHP CC1(C)[NH2+][C@@H](CCN2CCC3(CC[NH2+]C3)CC2)CO1 ZINC001235102753 944054155 /nfs/dbraw/zinc/05/41/55/944054155.db2.gz BJBVZYNDLYOPNG-ZDUSSCGKSA-N 2 3 267.417 1.177 20 0 CDADHP COc1ccc(C[N@H+](CCCC[NH3+])C2CCNCC2)cc1 ZINC001236442169 944498234 /nfs/dbraw/zinc/49/82/34/944498234.db2.gz YPXAACCNQSFZCS-UHFFFAOYSA-N 2 3 291.439 1.988 20 0 CDADHP COc1ccc(C[N@@H+](CCCC[NH3+])C2CCNCC2)cc1 ZINC001236442169 944498238 /nfs/dbraw/zinc/49/82/38/944498238.db2.gz YPXAACCNQSFZCS-UHFFFAOYSA-N 2 3 291.439 1.988 20 0 CDADHP COc1ccc(CN(CCCC[NH3+])C2CC[NH2+]CC2)cc1 ZINC001236442169 944498240 /nfs/dbraw/zinc/49/82/40/944498240.db2.gz YPXAACCNQSFZCS-UHFFFAOYSA-N 2 3 291.439 1.988 20 0 CDADHP C[C@@H]1CC[N@H+](C[C@H](O)CNC(C)(C)C)CC[C@H]1C[NH3+] ZINC001246017479 947897986 /nfs/dbraw/zinc/89/79/86/947897986.db2.gz AWNKTSPOWYPHMC-HZSPNIEDSA-N 2 3 271.449 1.042 20 0 CDADHP C[C@@H]1CCN(C[C@H](O)C[NH2+]C(C)(C)C)CC[C@H]1C[NH3+] ZINC001246017479 947897978 /nfs/dbraw/zinc/89/79/78/947897978.db2.gz AWNKTSPOWYPHMC-HZSPNIEDSA-N 2 3 271.449 1.042 20 0 CDADHP C[C@@H]1CC[N@@H+](C[C@H](O)CNC(C)(C)C)CC[C@H]1C[NH3+] ZINC001246017479 947897993 /nfs/dbraw/zinc/89/79/93/947897993.db2.gz AWNKTSPOWYPHMC-HZSPNIEDSA-N 2 3 271.449 1.042 20 0 CDADHP CCCC[C@@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)CCN1 ZINC001246072728 947925464 /nfs/dbraw/zinc/92/54/64/947925464.db2.gz KQVQQFZNBKRGQB-CABCVRRESA-N 2 3 253.434 1.886 20 0 CDADHP CC(C)[C@@H]1C[C@@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]1 ZINC001246148343 947989432 /nfs/dbraw/zinc/98/94/32/947989432.db2.gz RPXZGUBOQBHVAJ-JYJNAYRXSA-N 2 3 294.487 1.227 20 0 CDADHP CC(C)(CN)C[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246249008 948054597 /nfs/dbraw/zinc/05/45/97/948054597.db2.gz IFIGWBBOOBXPJQ-UHFFFAOYSA-N 2 3 253.434 1.873 20 0 CDADHP C(N[C@@H]1CCCC[NH2+]C1)C1(CC2CC2)CC[NH2+]CC1 ZINC001246384745 948148875 /nfs/dbraw/zinc/14/88/75/948148875.db2.gz PDRUUHRKTCTPAW-OAHLLOKOSA-N 2 3 265.445 1.888 20 0 CDADHP CC[C@@H]1C[C@@H](N2CCNC3(CC[NH2+]CC3)C2)C[C@H](CC)[NH2+]1 ZINC001246595449 948332176 /nfs/dbraw/zinc/33/21/76/948332176.db2.gz NAKFVBKKCOQWNS-MUJYYYPQSA-N 2 3 294.487 1.323 20 0 CDADHP C[NH+](C)CC1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001256625933 948371603 /nfs/dbraw/zinc/37/16/03/948371603.db2.gz KAJQGIZPUYNQDT-XYPWUTKMSA-N 2 3 265.445 1.885 20 0 CDADHP C[NH+](C)CC1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001256625933 948371610 /nfs/dbraw/zinc/37/16/10/948371610.db2.gz KAJQGIZPUYNQDT-XYPWUTKMSA-N 2 3 265.445 1.885 20 0 CDADHP C[NH2+]C1CCN(C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC001246803248 948448793 /nfs/dbraw/zinc/44/87/93/948448793.db2.gz AZUYOXFSNOIYFN-UHFFFAOYSA-N 2 3 265.445 1.983 20 0 CDADHP CC(C)[NH+]1CCC(CNC[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253403794 951885303 /nfs/dbraw/zinc/88/53/03/951885303.db2.gz JZMDGVMZXYBUJF-HNNXBMFYSA-N 2 3 285.476 1.445 20 0 CDADHP COC[C@@]1(CN[C@@H](C)C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000643531868 361184406 /nfs/dbraw/zinc/18/44/06/361184406.db2.gz QRWZCUDKXCXKIV-ZFWWWQNUSA-N 2 3 269.433 1.075 20 0 CDADHP COc1ccc([C@H](CN)C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000420281115 244017995 /nfs/dbraw/zinc/01/79/95/244017995.db2.gz ZLXINHZSCVNJRB-OAHLLOKOSA-N 2 3 277.412 1.408 20 0 CDADHP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000422902367 245386127 /nfs/dbraw/zinc/38/61/27/245386127.db2.gz UNHPQPPPWFVMJK-AWEZNQCLSA-N 2 3 279.428 1.844 20 0 CDADHP CCN(C)C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420323139 284347375 /nfs/dbraw/zinc/34/73/75/284347375.db2.gz TZWADPNQPGQLQD-CABCVRRESA-N 2 3 253.434 1.650 20 0 CDADHP CCN(C)C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420323139 284347376 /nfs/dbraw/zinc/34/73/76/284347376.db2.gz TZWADPNQPGQLQD-CABCVRRESA-N 2 3 253.434 1.650 20 0 CDADHP CC[N@H+](C)C[C@@H]1CCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000420323139 284347377 /nfs/dbraw/zinc/34/73/77/284347377.db2.gz TZWADPNQPGQLQD-CABCVRRESA-N 2 3 253.434 1.650 20 0 CDADHP CC[N@@H+](C)C[C@@H]1CCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000420323139 284347378 /nfs/dbraw/zinc/34/73/78/284347378.db2.gz TZWADPNQPGQLQD-CABCVRRESA-N 2 3 253.434 1.650 20 0 CDADHP CCN(C)C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420323147 284347551 /nfs/dbraw/zinc/34/75/51/284347551.db2.gz TZWADPNQPGQLQD-GJZGRUSLSA-N 2 3 253.434 1.650 20 0 CDADHP CCN(C)C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420323147 284347553 /nfs/dbraw/zinc/34/75/53/284347553.db2.gz TZWADPNQPGQLQD-GJZGRUSLSA-N 2 3 253.434 1.650 20 0 CDADHP CC[N@H+](C)C[C@@H]1CCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420323147 284347554 /nfs/dbraw/zinc/34/75/54/284347554.db2.gz TZWADPNQPGQLQD-GJZGRUSLSA-N 2 3 253.434 1.650 20 0 CDADHP CC[N@@H+](C)C[C@@H]1CCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420323147 284347556 /nfs/dbraw/zinc/34/75/56/284347556.db2.gz TZWADPNQPGQLQD-GJZGRUSLSA-N 2 3 253.434 1.650 20 0 CDADHP C[C@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000333223627 205129644 /nfs/dbraw/zinc/12/96/44/205129644.db2.gz AMKPQZASJKPQAT-AJNGGQMLSA-N 2 3 253.434 1.729 20 0 CDADHP C[C@@H]1CCCC[N@@H+]1CCCCNC[C@H](O)C[NH+](C)C1CC1 ZINC000584405708 373722942 /nfs/dbraw/zinc/72/29/42/373722942.db2.gz WVWUQMPUTJKYDA-WBVHZDCISA-N 2 3 297.487 1.686 20 0 CDADHP C[C@@H]1CCCC[N@H+]1CCCCNC[C@H](O)C[NH+](C)C1CC1 ZINC000584405708 373722948 /nfs/dbraw/zinc/72/29/48/373722948.db2.gz WVWUQMPUTJKYDA-WBVHZDCISA-N 2 3 297.487 1.686 20 0 CDADHP C[C@@H]1CCCC[NH+]1CCCCNC[C@H](O)C[N@H+](C)C1CC1 ZINC000584405708 373722951 /nfs/dbraw/zinc/72/29/51/373722951.db2.gz WVWUQMPUTJKYDA-WBVHZDCISA-N 2 3 297.487 1.686 20 0 CDADHP C[C@@H]1CCCC[NH+]1CCCCNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000584405708 373722956 /nfs/dbraw/zinc/72/29/56/373722956.db2.gz WVWUQMPUTJKYDA-WBVHZDCISA-N 2 3 297.487 1.686 20 0 CDADHP CSC1(CN[C@@H](C)[C@@H]2CCCC[NH2+]2)CC[NH+](C)CC1 ZINC000423123098 392362968 /nfs/dbraw/zinc/36/29/68/392362968.db2.gz MASDVEVFANDJOM-KBPBESRZSA-N 2 3 285.501 1.934 20 0 CDADHP CNC[C@@](C)(O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000568889749 294121293 /nfs/dbraw/zinc/12/12/93/294121293.db2.gz FGFVPMFQSNMTBG-OAHLLOKOSA-N 2 3 271.449 1.009 20 0 CDADHP CNC[C@@](C)(O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000568889749 294121296 /nfs/dbraw/zinc/12/12/96/294121296.db2.gz FGFVPMFQSNMTBG-OAHLLOKOSA-N 2 3 271.449 1.009 20 0 CDADHP C[NH2+]CCCN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793068 626089129 /nfs/dbraw/zinc/08/91/29/626089129.db2.gz LZRSZIXUIMGLSI-UHFFFAOYSA-N 2 3 261.413 1.588 20 0 CDADHP NC[C@]12CCC[C@H]1C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903932685 626152342 /nfs/dbraw/zinc/15/23/42/626152342.db2.gz VBMXHPLSSFKTFW-PSAQHYCVSA-N 2 3 263.429 1.578 20 0 CDADHP NC[C@]12CCC[C@H]1C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903932685 626152344 /nfs/dbraw/zinc/15/23/44/626152344.db2.gz VBMXHPLSSFKTFW-PSAQHYCVSA-N 2 3 263.429 1.578 20 0 CDADHP C[C@@H]1C[C@H](CN2CCC([NH2+]C3CCOCC3)CC2)CC[NH2+]1 ZINC000903947950 626164136 /nfs/dbraw/zinc/16/41/36/626164136.db2.gz JFALXHKANNIVGX-HUUCEWRRSA-N 2 3 295.471 1.608 20 0 CDADHP CC(C)[NH+]1CCC(CCNC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000872222834 790073746 /nfs/dbraw/zinc/07/37/46/790073746.db2.gz GAWCIEAACGZILJ-QGZVFWFLSA-N 2 3 297.487 1.543 20 0 CDADHP C(C1CC[NH2+]CC1)[N@@H+]1CCCC[C@@]12CCCNC2 ZINC001235176099 914080073 /nfs/dbraw/zinc/08/00/73/914080073.db2.gz ZAOXODOVXLKYFR-HNNXBMFYSA-N 2 3 251.418 1.594 20 0 CDADHP C(C1CC[NH2+]CC1)[N@H+]1CCCC[C@@]12CCCNC2 ZINC001235176099 914080085 /nfs/dbraw/zinc/08/00/85/914080085.db2.gz ZAOXODOVXLKYFR-HNNXBMFYSA-N 2 3 251.418 1.594 20 0 CDADHP C(C1CC[NH2+]CC1)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001235176099 914080097 /nfs/dbraw/zinc/08/00/97/914080097.db2.gz ZAOXODOVXLKYFR-HNNXBMFYSA-N 2 3 251.418 1.594 20 0 CDADHP C[C@H]1[C@H](CN)CCC[N@@H+]1C1CCC2(C[NH2+]C2)CC1 ZINC001246561812 931787522 /nfs/dbraw/zinc/78/75/22/931787522.db2.gz GLQCDJWUFHLPLE-STQMWFEESA-N 2 3 251.418 1.578 20 0 CDADHP C[C@H]1[C@H](CN)CCC[N@H+]1C1CCC2(C[NH2+]C2)CC1 ZINC001246561812 931787525 /nfs/dbraw/zinc/78/75/25/931787525.db2.gz GLQCDJWUFHLPLE-STQMWFEESA-N 2 3 251.418 1.578 20 0 CDADHP [NH3+]C[C@@]1(F)CCCN(CC[C@H]2CCCC[NH2+]2)CC1 ZINC001205545530 939899314 /nfs/dbraw/zinc/89/93/14/939899314.db2.gz IYWLSTIDKPIBTQ-ZIAGYGMSSA-N 2 3 257.397 1.672 20 0 CDADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001262162058 946480877 /nfs/dbraw/zinc/48/08/77/946480877.db2.gz CHVNNDAIWDJNKM-OEWLLCOZSA-N 2 3 251.418 1.624 20 0 CDADHP C[C@@H]1CC[C@@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)C[NH2+]1 ZINC001246095586 947946456 /nfs/dbraw/zinc/94/64/56/947946456.db2.gz LIRYCBONCMFMOH-DGXTUMSLSA-N 2 3 265.445 1.979 20 0 CDADHP C[C@H]1[NH2+]CCC[C@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC001246109764 947961761 /nfs/dbraw/zinc/96/17/61/947961761.db2.gz KVNQWMIYWGYDSM-FVPDABNVSA-N 2 3 265.445 1.979 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246132688 947977025 /nfs/dbraw/zinc/97/70/25/947977025.db2.gz UCJQLZHCPUTJTL-RDBSUJKOSA-N 2 3 251.418 1.639 20 0 CDADHP c1cncc(C[NH+]2CCC(C[NH2+]C3CCNCC3)CC2)c1 ZINC001246364542 948137285 /nfs/dbraw/zinc/13/72/85/948137285.db2.gz HWLCDTYXLHOJSU-UHFFFAOYSA-N 2 3 288.439 1.635 20 0 CDADHP CC1(C)CNCC[C@H]1[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246374232 948144385 /nfs/dbraw/zinc/14/43/85/948144385.db2.gz TVEHIUAPXFVZCW-UONOGXRCSA-N 2 3 265.445 1.886 20 0 CDADHP C1[NH2+]CC12C[C@@H]([N@@H+]1CCC[C@@]13CCCNC3)CS2 ZINC001246606433 948340242 /nfs/dbraw/zinc/34/02/42/948340242.db2.gz FKFWFNCOYJJFAM-CHWSQXEVSA-N 2 3 267.442 1.052 20 0 CDADHP C1[NH2+]CC12C[C@@H]([N@H+]1CCC[C@@]13CCCNC3)CS2 ZINC001246606433 948340250 /nfs/dbraw/zinc/34/02/50/948340250.db2.gz FKFWFNCOYJJFAM-CHWSQXEVSA-N 2 3 267.442 1.052 20 0 CDADHP CCCC[C@@H]1C[C@H](N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC001246845918 948473803 /nfs/dbraw/zinc/47/38/03/948473803.db2.gz NLLIWNGGKGHMAY-CAOSSQGBSA-N 2 3 265.445 1.839 20 0 CDADHP C[NH+](C)C1CC(C[NH2+][C@@H]2[C@@H]3CCCN[C@H]3C2(C)C)C1 ZINC001553024477 964486162 /nfs/dbraw/zinc/48/61/62/964486162.db2.gz FKUQHIFJPVQNMR-CLACGNGHSA-N 2 3 265.445 1.693 20 0 CDADHP [NH3+]CC1(c2ccccc2)CC(N[C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC001550945572 966297666 /nfs/dbraw/zinc/29/76/66/966297666.db2.gz VHLWOTRXOMOFKH-YZUHTNEWSA-N 2 3 285.435 1.905 20 0 CDADHP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](C)[C@@H]2CCN)CC[NH2+]1 ZINC000650711815 398155419 /nfs/dbraw/zinc/15/54/19/398155419.db2.gz FKLDZWXJDNYDNF-TUVASFSCSA-N 2 3 253.434 1.824 20 0 CDADHP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](C)[C@@H]2CCN)CC[NH2+]1 ZINC000650711815 398155422 /nfs/dbraw/zinc/15/54/22/398155422.db2.gz FKLDZWXJDNYDNF-TUVASFSCSA-N 2 3 253.434 1.824 20 0 CDADHP C[C@@H]1CCNCC[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000335565717 357719375 /nfs/dbraw/zinc/71/93/75/357719375.db2.gz REZRBEWLMGXZGP-ZIAGYGMSSA-N 2 3 253.434 1.696 20 0 CDADHP C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000422883739 245368519 /nfs/dbraw/zinc/36/85/19/245368519.db2.gz QYVMOCRUDZQXDX-YYIAUSFCSA-N 2 3 297.487 1.840 20 0 CDADHP C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000422883739 245368522 /nfs/dbraw/zinc/36/85/22/245368522.db2.gz QYVMOCRUDZQXDX-YYIAUSFCSA-N 2 3 297.487 1.840 20 0 CDADHP C[C@]1(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC[NH2+]C1 ZINC000647543891 390987321 /nfs/dbraw/zinc/98/73/21/390987321.db2.gz UDMSWPMNDKRKIH-PMPSAXMXSA-N 2 3 265.445 1.698 20 0 CDADHP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000423034751 392289675 /nfs/dbraw/zinc/28/96/75/392289675.db2.gz QMQBWSUNYDXADH-WMLDXEAASA-N 2 3 291.439 1.470 20 0 CDADHP C[C@@H](NCCCC[N@H+](C)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000423165743 392404704 /nfs/dbraw/zinc/40/47/04/392404704.db2.gz QFOPGCQZFOSKLB-HIFRSBDPSA-N 2 3 253.434 1.981 20 0 CDADHP C[C@@H](NCCCC[N@@H+](C)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000423165743 392404708 /nfs/dbraw/zinc/40/47/08/392404708.db2.gz QFOPGCQZFOSKLB-HIFRSBDPSA-N 2 3 253.434 1.981 20 0 CDADHP CCCN(C)C[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420326187 397700871 /nfs/dbraw/zinc/70/08/71/397700871.db2.gz XGIDUTXJXGUQMC-GJZGRUSLSA-N 2 3 253.434 1.650 20 0 CDADHP CCCN(C)C[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420326187 397700878 /nfs/dbraw/zinc/70/08/78/397700878.db2.gz XGIDUTXJXGUQMC-GJZGRUSLSA-N 2 3 253.434 1.650 20 0 CDADHP CCC[N@H+](C)C[C@@H]1CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000420326187 397700880 /nfs/dbraw/zinc/70/08/80/397700880.db2.gz XGIDUTXJXGUQMC-GJZGRUSLSA-N 2 3 253.434 1.650 20 0 CDADHP CCC[N@@H+](C)C[C@@H]1CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000420326187 397700884 /nfs/dbraw/zinc/70/08/84/397700884.db2.gz XGIDUTXJXGUQMC-GJZGRUSLSA-N 2 3 253.434 1.650 20 0 CDADHP C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665299680 414043206 /nfs/dbraw/zinc/04/32/06/414043206.db2.gz RFIARPODWFSNIT-XKQJLSEDSA-N 2 3 295.471 1.450 20 0 CDADHP CN(C)CCOC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000346845150 289166024 /nfs/dbraw/zinc/16/60/24/289166024.db2.gz ZLUIGVWERSGYKS-UHFFFAOYSA-N 2 3 269.433 1.029 20 0 CDADHP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925703714 617769839 /nfs/dbraw/zinc/76/98/39/617769839.db2.gz FFRVVZMHMVZIQI-OEAJRASXSA-N 2 3 265.445 1.872 20 0 CDADHP C[C@H]1C[C@H]([NH3+])CCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923393024 618328060 /nfs/dbraw/zinc/32/80/60/618328060.db2.gz MODAPDOKLAFVLX-AGIDCKOXSA-N 2 3 251.418 1.719 20 0 CDADHP C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCCC[NH2+]1 ZINC000902477695 624825582 /nfs/dbraw/zinc/82/55/82/624825582.db2.gz QSRSQFVKYZVPPI-BARDWOONSA-N 2 3 251.418 1.496 20 0 CDADHP CC[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1N ZINC000903874221 626128610 /nfs/dbraw/zinc/12/86/10/626128610.db2.gz VJMFBCSCQKLQCG-SCXOTVEISA-N 2 3 251.418 1.576 20 0 CDADHP CC[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1N ZINC000903874221 626128613 /nfs/dbraw/zinc/12/86/13/626128613.db2.gz VJMFBCSCQKLQCG-SCXOTVEISA-N 2 3 251.418 1.576 20 0 CDADHP CC[C@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1[NH3+] ZINC000903874221 626128614 /nfs/dbraw/zinc/12/86/14/626128614.db2.gz VJMFBCSCQKLQCG-SCXOTVEISA-N 2 3 251.418 1.576 20 0 CDADHP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCN1c1ccncc1 ZINC000883410702 797456323 /nfs/dbraw/zinc/45/63/23/797456323.db2.gz HQWORJHJTJEROG-CQSZACIVSA-N 2 3 274.412 1.592 20 0 CDADHP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1c1ccncc1 ZINC000883410702 797456367 /nfs/dbraw/zinc/45/63/67/797456367.db2.gz HQWORJHJTJEROG-CQSZACIVSA-N 2 3 274.412 1.592 20 0 CDADHP CC(C)P(CCNC(=O)[C@H]([NH3+])CCC[NH3+])C(C)C ZINC001221254127 941508783 /nfs/dbraw/zinc/50/87/83/941508783.db2.gz FRZRQKPULBWIHQ-GFCCVEGCSA-N 2 3 275.377 1.468 20 0 CDADHP CCN([C@@H]1CCOC1)C1CC[NH+](CCCC[NH3+])CC1 ZINC001235888827 944308803 /nfs/dbraw/zinc/30/88/03/944308803.db2.gz PTXYXQSBUNHKHO-OAHLLOKOSA-N 2 3 269.433 1.301 20 0 CDADHP C(C[N@H+](C[C@@H]1CCCNC1)C1CC1)C1CC[NH2+]CC1 ZINC001236584519 944519064 /nfs/dbraw/zinc/51/90/64/944519064.db2.gz GSGIICCXBUBUHJ-OAHLLOKOSA-N 2 3 265.445 1.840 20 0 CDADHP C(C[N@@H+](C[C@@H]1CCCNC1)C1CC1)C1CC[NH2+]CC1 ZINC001236584519 944519067 /nfs/dbraw/zinc/51/90/67/944519067.db2.gz GSGIICCXBUBUHJ-OAHLLOKOSA-N 2 3 265.445 1.840 20 0 CDADHP CCC[NH+]1CCC(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])CC1 ZINC001258768579 945406747 /nfs/dbraw/zinc/40/67/47/945406747.db2.gz SMCNJOFLEIAZLB-OAGGEKHMSA-N 2 3 299.459 1.175 20 0 CDADHP CC[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]CC2)CCN1 ZINC001246097589 947950144 /nfs/dbraw/zinc/95/01/44/947950144.db2.gz ZCXRBMFQCCRYIC-KFWWJZLASA-N 2 3 253.434 1.886 20 0 CDADHP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC001246100678 947952126 /nfs/dbraw/zinc/95/21/26/947952126.db2.gz OUARXFXPZRKXTD-NPJQDHAYSA-N 2 3 265.445 1.837 20 0 CDADHP C[C@@H]1CC([NH2+]CCCC2CC[NH2+]CC2)C[C@@H](C)N1 ZINC001246108956 947959373 /nfs/dbraw/zinc/95/93/73/947959373.db2.gz XDPOINNQWNPDKT-CHWSQXEVSA-N 2 3 253.434 1.885 20 0 CDADHP C(N[C@H]1CCCC[NH2+]C1)[C@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001246148063 947989944 /nfs/dbraw/zinc/98/99/44/947989944.db2.gz PMYFNRRBLUFVEA-KBXIAJHMSA-N 2 3 251.418 1.354 20 0 CDADHP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246167450 948002366 /nfs/dbraw/zinc/00/23/66/948002366.db2.gz FFNBBGYMMHNFPX-VFSICIBPSA-N 2 3 293.455 1.408 20 0 CDADHP C[C@H]1CC([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[C@H](C)N1 ZINC001246206788 948028488 /nfs/dbraw/zinc/02/84/88/948028488.db2.gz TXYRFUXOMYVYEM-XUXIUFHCSA-N 2 3 253.434 1.870 20 0 CDADHP C1CC([C@H]([NH2+][C@H]2CCC[C@]3(CC[NH2+]C3)C2)C2CNC2)C1 ZINC001246512186 948218648 /nfs/dbraw/zinc/21/86/48/948218648.db2.gz AZXOZTHNRZERTN-ULQDDVLXSA-N 2 3 277.456 1.886 20 0 CDADHP C[NH2+]C1CCC(N2CCC(F)(F)[C@@H](C[NH3+])C2)CC1 ZINC001246555691 948261469 /nfs/dbraw/zinc/26/14/69/948261469.db2.gz HNLJZSUCDBGNSV-UNXYVOJBSA-N 2 3 261.360 1.433 20 0 CDADHP CCN(CC)C[C@H](O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001253196900 951795570 /nfs/dbraw/zinc/79/55/70/951795570.db2.gz ZEYKZPBBSYTQJD-INIZCTEOSA-N 2 3 297.487 1.497 20 0 CDADHP CC[NH+](CC)C[C@@H](O)CNCC1CC[NH+](C(C)C)CC1 ZINC001253202880 951800382 /nfs/dbraw/zinc/80/03/82/951800382.db2.gz BBKRBGBUHJLLFW-INIZCTEOSA-N 2 3 285.476 1.399 20 0 CDADHP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253405267 951888234 /nfs/dbraw/zinc/88/82/34/951888234.db2.gz ULEUIECSKFOYLR-CABCVRRESA-N 2 3 287.492 1.836 20 0 CDADHP CC[NH+](CC)CCC[C@@H](C)NC[C@H](O)C[NH2+]C(C)(C)C ZINC001253405267 951888240 /nfs/dbraw/zinc/88/82/40/951888240.db2.gz ULEUIECSKFOYLR-CABCVRRESA-N 2 3 287.492 1.836 20 0 CDADHP C[C@H](CC[NH2+]CC1CC[NH2+]CC1)N1CCCCC1 ZINC001573542862 1170687183 /nfs/dbraw/zinc/68/71/83/1170687183.db2.gz IVONVNNOCUTLLZ-CQSZACIVSA-N 2 3 253.434 1.840 20 0 CDADHP CC1CC[NH+](CCCCNC[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000644522491 366130225 /nfs/dbraw/zinc/13/02/25/366130225.db2.gz GUILEEOZYJBGPA-QGZVFWFLSA-N 2 3 297.487 1.543 20 0 CDADHP CC1CC[NH+](CCCCNC[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000644522491 366130232 /nfs/dbraw/zinc/13/02/32/366130232.db2.gz GUILEEOZYJBGPA-QGZVFWFLSA-N 2 3 297.487 1.543 20 0 CDADHP C[C@H](NCCC1CC[NH+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000386486020 356650425 /nfs/dbraw/zinc/65/04/25/356650425.db2.gz SXPIPBRAAYWQLX-ZFWWWQNUSA-N 2 3 253.434 1.839 20 0 CDADHP COC[C@]1(CN[C@H](C)C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000643531867 361184019 /nfs/dbraw/zinc/18/40/19/361184019.db2.gz QRWZCUDKXCXKIV-UKRRQHHQSA-N 2 3 269.433 1.075 20 0 CDADHP CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414707388 241343883 /nfs/dbraw/zinc/34/38/83/241343883.db2.gz NUWDWVLYZSYETR-KFWWJZLASA-N 2 3 253.434 1.648 20 0 CDADHP CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414707388 241343889 /nfs/dbraw/zinc/34/38/89/241343889.db2.gz NUWDWVLYZSYETR-KFWWJZLASA-N 2 3 253.434 1.648 20 0 CDADHP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000300240768 375455182 /nfs/dbraw/zinc/45/51/82/375455182.db2.gz WOFAVNLGOWTBHE-CABCVRRESA-N 2 3 265.445 1.935 20 0 CDADHP C[C@H](C[C@H](C)[NH3+])NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000423038751 392293604 /nfs/dbraw/zinc/29/36/04/392293604.db2.gz ZIHBDBRQQZCXAY-VBQJREDUSA-N 2 3 291.439 1.469 20 0 CDADHP C[C@H](C[C@H](C)[NH3+])NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000423038751 392293609 /nfs/dbraw/zinc/29/36/09/392293609.db2.gz ZIHBDBRQQZCXAY-VBQJREDUSA-N 2 3 291.439 1.469 20 0 CDADHP C[C@@H](C[NH3+])CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423299669 392496420 /nfs/dbraw/zinc/49/64/20/392496420.db2.gz QJVIGTXRTAFUTA-KBPBESRZSA-N 2 3 279.428 1.872 20 0 CDADHP CC[NH+](CC)CC1CC[NH+](C[C@@](C)(O)CNC)CC1 ZINC000574283722 392561542 /nfs/dbraw/zinc/56/15/42/392561542.db2.gz IWWKFGLUUOXSCE-HNNXBMFYSA-N 2 3 271.449 1.011 20 0 CDADHP [NH3+][C@@H]1CCC[C@H](NCc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000656786566 413664597 /nfs/dbraw/zinc/66/45/97/413664597.db2.gz NPVPXKNAEGRGBS-CVEARBPZSA-N 2 3 259.397 1.692 20 0 CDADHP NC[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000568499407 294046067 /nfs/dbraw/zinc/04/60/67/294046067.db2.gz UHZZPVRCJDUNLB-ZOBUZTSGSA-N 2 3 287.407 1.569 20 0 CDADHP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCNC1 ZINC000576099239 317073587 /nfs/dbraw/zinc/07/35/87/317073587.db2.gz ODGXFYJALBLHFH-ZNMIVQPWSA-N 2 3 253.434 1.696 20 0 CDADHP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)[C@H]1CCCNC1 ZINC000576099239 317073585 /nfs/dbraw/zinc/07/35/85/317073585.db2.gz ODGXFYJALBLHFH-ZNMIVQPWSA-N 2 3 253.434 1.696 20 0 CDADHP C1[C@@H](N[C@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C12CC[NH2+]CC2 ZINC000666955402 483019430 /nfs/dbraw/zinc/01/94/30/483019430.db2.gz GKKATKVTOAOMRA-ZQDZILKHSA-N 2 3 263.429 1.639 20 0 CDADHP CC(C)[C@@H](C[NH3+])CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959121 626158802 /nfs/dbraw/zinc/15/88/02/626158802.db2.gz AWNNXNJSHJTJOQ-GJZGRUSLSA-N 2 3 253.434 1.683 20 0 CDADHP C[C@]1(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCCNC1 ZINC000904349605 626261384 /nfs/dbraw/zinc/26/13/84/626261384.db2.gz BJIPPERCYPQQEF-JYJNAYRXSA-N 2 3 265.445 1.698 20 0 CDADHP C[C@]1(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCCNC1 ZINC000904349605 626261386 /nfs/dbraw/zinc/26/13/86/626261386.db2.gz BJIPPERCYPQQEF-JYJNAYRXSA-N 2 3 265.445 1.698 20 0 CDADHP C[C@@]1(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CCC[NH2+]C1 ZINC000904381938 626277510 /nfs/dbraw/zinc/27/75/10/626277510.db2.gz YLMDQLDQFZWSTA-IAGOWNOFSA-N 2 3 295.471 1.467 20 0 CDADHP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCN[C@H]2C)CC1 ZINC000925544767 811534525 /nfs/dbraw/zinc/53/45/25/811534525.db2.gz CEDCOIDLNZFXCO-JKSUJKDBSA-N 2 3 282.476 1.134 20 0 CDADHP c1c(C[NH2+]CC[C@@H]2CC[NH2+]C2)sc2c1CNCC2 ZINC000873210576 812059848 /nfs/dbraw/zinc/05/98/48/812059848.db2.gz KRLWHWCVCNAJOT-NSHDSACASA-N 2 3 265.426 1.483 20 0 CDADHP [NH3+]CCCC[NH2+]CCCN[C@@H]1Cc2cccc(F)c2C1 ZINC001246457679 931499424 /nfs/dbraw/zinc/49/94/24/931499424.db2.gz QBKLKPGXRGSEAS-CQSZACIVSA-N 2 3 279.403 1.601 20 0 CDADHP C[C@@H]1CC([N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)C[C@@H](C)N1 ZINC001246564590 931797768 /nfs/dbraw/zinc/79/77/68/931797768.db2.gz XWQOLUOUYWMMPY-SYQHCUMBSA-N 2 3 253.434 1.822 20 0 CDADHP C[C@@H]1CC([N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)C[C@@H](C)N1 ZINC001246564590 931797772 /nfs/dbraw/zinc/79/77/72/931797772.db2.gz XWQOLUOUYWMMPY-SYQHCUMBSA-N 2 3 253.434 1.822 20 0 CDADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCN1CCCC1 ZINC001119699347 937748439 /nfs/dbraw/zinc/74/84/39/937748439.db2.gz OIZGSGOUQGJVKV-DGKWVBSXSA-N 2 3 251.418 1.578 20 0 CDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N(C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161060473 938867209 /nfs/dbraw/zinc/86/72/09/938867209.db2.gz BPGBLGIVUFZFFA-QLFBSQMISA-N 2 3 298.475 1.210 20 0 CDADHP C[NH+]1CCC(C)(C[N@@H+]2CCCC[C@@H](CN)C2)CC1 ZINC001206606325 940069501 /nfs/dbraw/zinc/06/95/01/940069501.db2.gz KYHIZFDDSAVZKO-AWEZNQCLSA-N 2 3 253.434 1.779 20 0 CDADHP C[NH+]1CCC(C)(C[N@H+]2CCCC[C@@H](CN)C2)CC1 ZINC001206606325 940069505 /nfs/dbraw/zinc/06/95/05/940069505.db2.gz KYHIZFDDSAVZKO-AWEZNQCLSA-N 2 3 253.434 1.779 20 0 CDADHP C[NH+](C)CCCN1CCN(CCC2CC[NH+](C)CC2)CC1 ZINC001207486044 940205701 /nfs/dbraw/zinc/20/57/01/940205701.db2.gz CFTDZGDOTNELRO-UHFFFAOYSA-N 2 3 296.503 1.288 20 0 CDADHP [NH3+]CCCCN1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236013099 944372094 /nfs/dbraw/zinc/37/20/94/944372094.db2.gz WRIQVAISIKEOJQ-CVEARBPZSA-N 2 3 259.397 1.198 20 0 CDADHP C[NH+]1CCC(C)(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001237380099 944736884 /nfs/dbraw/zinc/73/68/84/944736884.db2.gz FGQZNKAHXMXXNO-HUUCEWRRSA-N 2 3 265.445 1.792 20 0 CDADHP COCCC1(C[NH2+][C@@H]2CCN[C@@H](C)C2)CC[NH2+]CC1 ZINC001246370284 948141060 /nfs/dbraw/zinc/14/10/60/948141060.db2.gz JEKLIQFRFCZBQN-UONOGXRCSA-N 2 3 269.433 1.123 20 0 CDADHP C1=C[C@H](NC2CCC3(CC[NH2+]CC3)CC2)[C@H]2C[NH2+]C[C@H]12 ZINC001246471862 948192084 /nfs/dbraw/zinc/19/20/84/948192084.db2.gz CSFDDGPCPPNGCO-BPUTZDHNSA-N 2 3 275.440 1.662 20 0 CDADHP C[C@H]1C[N@@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@H]1CN ZINC001246542435 948245159 /nfs/dbraw/zinc/24/51/59/948245159.db2.gz PHCOYDGPRCKUHH-LJISPDSOSA-N 2 3 251.418 1.435 20 0 CDADHP C[C@H]1C[N@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@H]1CN ZINC001246542435 948245167 /nfs/dbraw/zinc/24/51/67/948245167.db2.gz PHCOYDGPRCKUHH-LJISPDSOSA-N 2 3 251.418 1.435 20 0 CDADHP C[C@@H]1CC[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1CN ZINC001246552875 948260251 /nfs/dbraw/zinc/26/02/51/948260251.db2.gz PQLNFUQAWYJSRU-RBSFLKMASA-N 2 3 265.445 1.825 20 0 CDADHP C[C@@H]1CC[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1CN ZINC001246552875 948260260 /nfs/dbraw/zinc/26/02/60/948260260.db2.gz PQLNFUQAWYJSRU-RBSFLKMASA-N 2 3 265.445 1.825 20 0 CDADHP [NH3+]CC1CC([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1 ZINC001553290605 964613660 /nfs/dbraw/zinc/61/36/60/964613660.db2.gz BEGMXOSVTNJEJO-RIXNLZLZSA-N 2 3 251.418 1.482 20 0 CDADHP CN(CCN(C)C1CC[NH+](C)CC1)C[C@@]1(C)CCC[NH2+]C1 ZINC001578524630 1171940370 /nfs/dbraw/zinc/94/03/70/1171940370.db2.gz GCTRBUBAFDJEGW-KRWDZBQOSA-N 2 3 296.503 1.334 20 0 CDADHP C[C@]1(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC[NH2+]C1 ZINC000650708335 398151726 /nfs/dbraw/zinc/15/17/26/398151726.db2.gz YBCGMTIHWCFOMD-VGWMRTNUSA-N 2 3 281.444 1.204 20 0 CDADHP [NH3+]C[C@@H]1CN(CC2CC[NH2+]CC2)CC[C@@H]1C(F)(F)F ZINC000629559670 363004088 /nfs/dbraw/zinc/00/40/88/363004088.db2.gz BNCUDPITKCLHOR-NEPJUHHUSA-N 2 3 279.350 1.445 20 0 CDADHP NC[C@@H]1CCCC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000422981171 359696477 /nfs/dbraw/zinc/69/64/77/359696477.db2.gz SASKJZIZPPFXDH-HRCADAONSA-N 2 3 283.460 1.330 20 0 CDADHP NC[C@@H]1CCCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000422981171 359696482 /nfs/dbraw/zinc/69/64/82/359696482.db2.gz SASKJZIZPPFXDH-HRCADAONSA-N 2 3 283.460 1.330 20 0 CDADHP C[C@H]1CCNCC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423164405 359753739 /nfs/dbraw/zinc/75/37/39/359753739.db2.gz OMHJONFYBWXQTO-DZGCQCFKSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@H]1CCNCC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423164405 359753746 /nfs/dbraw/zinc/75/37/46/359753746.db2.gz OMHJONFYBWXQTO-DZGCQCFKSA-N 2 3 253.434 1.839 20 0 CDADHP C[NH+](C)CCOc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000563944747 364775671 /nfs/dbraw/zinc/77/56/71/364775671.db2.gz UOXWLUPLZLMAGL-HOTGVXAUSA-N 2 3 291.439 1.987 20 0 CDADHP CCN1CCN(c2ccccc2C[NH2+]CCCC[NH3+])CC1 ZINC000414914958 370186055 /nfs/dbraw/zinc/18/60/55/370186055.db2.gz YSDWDRNCIJRRPW-UHFFFAOYSA-N 2 3 290.455 1.657 20 0 CDADHP CC[NH+]1CCC(C[NH2+][C@H]2CCNCC[C@H]2C)CC1 ZINC000567641264 371077848 /nfs/dbraw/zinc/07/78/48/371077848.db2.gz OWORJVNZHRRRAH-HIFRSBDPSA-N 2 3 253.434 1.696 20 0 CDADHP C[NH+]1CCC(C)(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000227497706 375543947 /nfs/dbraw/zinc/54/39/47/375543947.db2.gz WOFAVNLGOWTBHE-LSDHHAIUSA-N 2 3 265.445 1.935 20 0 CDADHP C[C@H]1CCNCC[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000333223630 390192790 /nfs/dbraw/zinc/19/27/90/390192790.db2.gz AMKPQZASJKPQAT-ZQDZILKHSA-N 2 3 253.434 1.729 20 0 CDADHP CN1CCC[C@H]2C[N@H+](CC3CC[NH2+]CC3)CC[C@H]21 ZINC000227337448 390925281 /nfs/dbraw/zinc/92/52/81/390925281.db2.gz DDJBCKVQVCPNQV-LSDHHAIUSA-N 2 3 251.418 1.402 20 0 CDADHP CN1CCC[C@H]2C[N@@H+](CC3CC[NH2+]CC3)CC[C@H]21 ZINC000227337448 390925282 /nfs/dbraw/zinc/92/52/82/390925282.db2.gz DDJBCKVQVCPNQV-LSDHHAIUSA-N 2 3 251.418 1.402 20 0 CDADHP NC[C@H]1CCC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000423129193 392368324 /nfs/dbraw/zinc/36/83/24/392368324.db2.gz DZYZSDLIWSONOR-HUUCEWRRSA-N 2 3 253.434 1.970 20 0 CDADHP C[C@H](NCC[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423167398 392405849 /nfs/dbraw/zinc/40/58/49/392405849.db2.gz FAVORTUMQOAKAT-ZNMIVQPWSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423167398 392405855 /nfs/dbraw/zinc/40/58/55/392405855.db2.gz FAVORTUMQOAKAT-ZNMIVQPWSA-N 2 3 253.434 1.839 20 0 CDADHP CC[C@H](NCC[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423277871 392484264 /nfs/dbraw/zinc/48/42/64/392484264.db2.gz QHGCDFJHYJIBTN-SOUVJXGZSA-N 2 3 253.434 1.886 20 0 CDADHP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000459730547 393328992 /nfs/dbraw/zinc/32/89/92/393328992.db2.gz KPXYJCNGSXFWHC-BZUAXINKSA-N 2 3 265.445 1.935 20 0 CDADHP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000459730547 393328996 /nfs/dbraw/zinc/32/89/96/393328996.db2.gz KPXYJCNGSXFWHC-BZUAXINKSA-N 2 3 265.445 1.935 20 0 CDADHP C[N@@H+]1CCC[C@H](CCN[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000459730547 393328998 /nfs/dbraw/zinc/32/89/98/393328998.db2.gz KPXYJCNGSXFWHC-BZUAXINKSA-N 2 3 265.445 1.935 20 0 CDADHP C[N@H+]1CCC[C@H](CCN[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000459730547 393329003 /nfs/dbraw/zinc/32/90/03/393329003.db2.gz KPXYJCNGSXFWHC-BZUAXINKSA-N 2 3 265.445 1.935 20 0 CDADHP C[NH+]1CCC[C@H](CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000459730547 393329006 /nfs/dbraw/zinc/32/90/06/393329006.db2.gz KPXYJCNGSXFWHC-BZUAXINKSA-N 2 3 265.445 1.935 20 0 CDADHP C[NH+]1CCC[C@H](CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000459730547 393329010 /nfs/dbraw/zinc/32/90/10/393329010.db2.gz KPXYJCNGSXFWHC-BZUAXINKSA-N 2 3 265.445 1.935 20 0 CDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000333223629 296576536 /nfs/dbraw/zinc/57/65/36/296576536.db2.gz AMKPQZASJKPQAT-TUVASFSCSA-N 2 3 253.434 1.729 20 0 CDADHP NC[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665233311 413959360 /nfs/dbraw/zinc/95/93/60/413959360.db2.gz DQKHHKWZQYHJHN-RDJZCZTQSA-N 2 3 295.471 1.594 20 0 CDADHP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000566481242 316611077 /nfs/dbraw/zinc/61/10/77/316611077.db2.gz BPQMSDCPBFFRIY-HUUCEWRRSA-N 2 3 253.434 1.968 20 0 CDADHP C[C@@H](C[NH3+])CNCc1ccc(OCC[NH+](C)C)cc1 ZINC000666825519 482925458 /nfs/dbraw/zinc/92/54/58/482925458.db2.gz VRTSCFPSBXUGJS-ZDUSSCGKSA-N 2 3 265.401 1.311 20 0 CDADHP CC1(C)[C@H]([NH2+]CC2(C)CC[NH2+]CC2)[C@@H]2CCCN[C@@H]21 ZINC000925697389 617734500 /nfs/dbraw/zinc/73/45/00/617734500.db2.gz FKQMUWSJIBXNRR-HZSPNIEDSA-N 2 3 265.445 1.742 20 0 CDADHP CN(C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCC[NH2+]CC1 ZINC000903746165 626070713 /nfs/dbraw/zinc/07/07/13/626070713.db2.gz VVWCSGGDZBASQI-HUUCEWRRSA-N 2 3 281.444 1.219 20 0 CDADHP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903740684 626079152 /nfs/dbraw/zinc/07/91/52/626079152.db2.gz JOEQKCMDFAMDGG-WTXIUTQJSA-N 2 3 293.455 1.489 20 0 CDADHP C([NH2+][C@H]1CCNC2(CCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920517 626147068 /nfs/dbraw/zinc/14/70/68/626147068.db2.gz VNLRMCDNJBQWHE-DKUMPPAJSA-N 2 3 263.429 1.781 20 0 CDADHP C[C@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1CCN ZINC000903932870 626153065 /nfs/dbraw/zinc/15/30/65/626153065.db2.gz WUFKFWOMJKCAQW-IXIBIKRGSA-N 2 3 265.445 1.966 20 0 CDADHP C[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1CCN ZINC000903932870 626153068 /nfs/dbraw/zinc/15/30/68/626153068.db2.gz WUFKFWOMJKCAQW-IXIBIKRGSA-N 2 3 265.445 1.966 20 0 CDADHP C[NH+](C)C1CCC(N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000715531724 819988911 /nfs/dbraw/zinc/98/89/11/819988911.db2.gz JBQVLXAEVINBIA-JLCZOKRKSA-N 2 3 263.429 1.445 20 0 CDADHP CCCN1C[C@H]2C[NH+](CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001207401153 940189784 /nfs/dbraw/zinc/18/97/84/940189784.db2.gz MNTYJPSGMALNIK-HOTGVXAUSA-N 2 3 265.445 1.602 20 0 CDADHP CCC[NH+]1C[C@H]2CN(CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001207401153 940189785 /nfs/dbraw/zinc/18/97/85/940189785.db2.gz MNTYJPSGMALNIK-HOTGVXAUSA-N 2 3 265.445 1.602 20 0 CDADHP C(C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1)[C@@H]1CNCCO1 ZINC001235231226 944100576 /nfs/dbraw/zinc/10/05/76/944100576.db2.gz DJXYATNYVMFCCM-CVEARBPZSA-N 2 3 281.444 1.219 20 0 CDADHP c1ccc([C@]23CCNC[C@H]2C[N@H+](CCC2C[NH2+]C2)CC3)cc1 ZINC001235367363 944137739 /nfs/dbraw/zinc/13/77/39/944137739.db2.gz SMCIALJZHVEANK-RBUKOAKNSA-N 2 3 299.462 1.849 20 0 CDADHP c1ccc([C@]23CCNC[C@H]2C[N@@H+](CCC2C[NH2+]C2)CC3)cc1 ZINC001235367363 944137742 /nfs/dbraw/zinc/13/77/42/944137742.db2.gz SMCIALJZHVEANK-RBUKOAKNSA-N 2 3 299.462 1.849 20 0 CDADHP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CC[NH2+]CC[C@@H]2C)CCN1 ZINC001246115426 947967406 /nfs/dbraw/zinc/96/74/06/947967406.db2.gz YPIREGKXKCOOPJ-GBJTYRQASA-N 2 3 253.434 1.742 20 0 CDADHP C(N[C@H]1CCCC[NH2+]C1)C1CC2(C1)CC[NH2+]CC2 ZINC001246126071 947971991 /nfs/dbraw/zinc/97/19/91/947971991.db2.gz KNKZOEHRLYVAAA-AWEZNQCLSA-N 2 3 251.418 1.498 20 0 CDADHP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CCN1 ZINC001246142233 947985393 /nfs/dbraw/zinc/98/53/93/947985393.db2.gz BUNLDXYEDOJFOF-JARUQAPTSA-N 2 3 251.418 1.352 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)C[C@H](C)N1 ZINC001246145084 947987358 /nfs/dbraw/zinc/98/73/58/947987358.db2.gz OPOPEHXFMJUHGE-TWHJKIGZSA-N 2 3 265.445 1.741 20 0 CDADHP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CCN1 ZINC001246148082 947989065 /nfs/dbraw/zinc/98/90/65/947989065.db2.gz PTUYQXPPWFWDBE-TUVASFSCSA-N 2 3 265.445 1.742 20 0 CDADHP CCCC[C@H]1C[C@H]([NH2+]CC[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCN1 ZINC001246151773 947993685 /nfs/dbraw/zinc/99/36/85/947993685.db2.gz RCCZZGBTXCNZNY-XFIYOXNOSA-N 2 3 265.445 1.742 20 0 CDADHP CC[C@@]1([NH2+]C2CCC3(CC[NH2+]C3)CC2)CCNC1 ZINC001246465719 948189267 /nfs/dbraw/zinc/18/92/67/948189267.db2.gz UAPLDLIJUKTTAS-YMAMQOFZSA-N 2 3 251.418 1.640 20 0 CDADHP CN[C@H]1C[C@@H]([NH2+]C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246490566 948203635 /nfs/dbraw/zinc/20/36/35/948203635.db2.gz DWNHZLAKKHMGCA-HFDVOGEKSA-N 2 3 251.418 1.639 20 0 CDADHP C1CC([C@H]([NH2+]C2CCC3(C[NH2+]C3)CC2)C2CNC2)C1 ZINC001246520145 948222998 /nfs/dbraw/zinc/22/29/98/948222998.db2.gz VJRSCUOKQSMVHK-HNNXBMFYSA-N 2 3 263.429 1.496 20 0 CDADHP C1[NH2+]CC12CCC([N@@H+]1CCC[C@@]3(CCCNC3)C1)CC2 ZINC001246615990 948349548 /nfs/dbraw/zinc/34/95/48/948349548.db2.gz ZFSHXKDBUFQMKJ-QGZVFWFLSA-N 2 3 277.456 1.984 20 0 CDADHP C1[NH2+]CC12CCC([N@H+]1CCC[C@@]3(CCCNC3)C1)CC2 ZINC001246615990 948349555 /nfs/dbraw/zinc/34/95/55/948349555.db2.gz ZFSHXKDBUFQMKJ-QGZVFWFLSA-N 2 3 277.456 1.984 20 0 CDADHP C1CC[C@H](C2CCN(C3CC[NH2+]CC3)CC2)[NH2+]C1 ZINC001246654756 948390650 /nfs/dbraw/zinc/39/06/50/948390650.db2.gz INSUEDIXOFVMHI-OAHLLOKOSA-N 2 3 251.418 1.593 20 0 CDADHP C1CC[C@H](C2CC[NH+](C3CCNCC3)CC2)[NH2+]C1 ZINC001246654756 948390661 /nfs/dbraw/zinc/39/06/61/948390661.db2.gz INSUEDIXOFVMHI-OAHLLOKOSA-N 2 3 251.418 1.593 20 0 CDADHP F[C@@H]1CCNC[C@@]12CC[N@@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246698541 948409160 /nfs/dbraw/zinc/40/91/60/948409160.db2.gz YRTFNIYSJYPVBJ-MNAZLIDISA-N 2 3 295.446 1.932 20 0 CDADHP F[C@@H]1CCNC[C@@]12CC[N@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246698541 948409164 /nfs/dbraw/zinc/40/91/64/948409164.db2.gz YRTFNIYSJYPVBJ-MNAZLIDISA-N 2 3 295.446 1.932 20 0 CDADHP CC[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCN1 ZINC001246935596 948529260 /nfs/dbraw/zinc/52/92/60/948529260.db2.gz VZKRVLJMQVVSKC-BARDWOONSA-N 2 3 251.418 1.448 20 0 CDADHP CC[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCN1 ZINC001246935596 948529265 /nfs/dbraw/zinc/52/92/65/948529265.db2.gz VZKRVLJMQVVSKC-BARDWOONSA-N 2 3 251.418 1.448 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H]1CN1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001550935062 966291831 /nfs/dbraw/zinc/29/18/31/966291831.db2.gz PJRXSHSKMMFBKX-BFYDXBDKSA-N 2 3 279.472 1.944 20 0 CDADHP CC1([NH+]2CCOCC2)CCC([NH2+]C2CCNCC2)CC1 ZINC001551379458 966590259 /nfs/dbraw/zinc/59/02/59/966590259.db2.gz KMFIJBJSAXMADZ-UHFFFAOYSA-N 2 3 281.444 1.362 20 0 CDADHP C[C@@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCOCC3)CC2)CCN1 ZINC001551381491 966593914 /nfs/dbraw/zinc/59/39/14/966593914.db2.gz WIUTYAIXIGJQGJ-KZYLPZIUSA-N 2 3 295.471 1.750 20 0 CDADHP NC[C@@]12CCC[C@H]1C[N@H+](CCC1CC[NH2+]CC1)C2 ZINC001549118341 968016404 /nfs/dbraw/zinc/01/64/04/968016404.db2.gz ZQDYTPZMRNGLHC-LSDHHAIUSA-N 2 3 251.418 1.437 20 0 CDADHP NC[C@@]12CCC[C@H]1C[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC001549118341 968016413 /nfs/dbraw/zinc/01/64/13/968016413.db2.gz ZQDYTPZMRNGLHC-LSDHHAIUSA-N 2 3 251.418 1.437 20 0 CDADHP C[C@@H]1C[NH2+]CC[C@@H]1CN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629655713 363259827 /nfs/dbraw/zinc/25/98/27/363259827.db2.gz YBRBCUKPQIFZKN-NDBYEHHHSA-N 2 3 293.377 1.691 20 0 CDADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CN)C1 ZINC000629655713 363259829 /nfs/dbraw/zinc/25/98/29/363259829.db2.gz YBRBCUKPQIFZKN-NDBYEHHHSA-N 2 3 293.377 1.691 20 0 CDADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CN)C1 ZINC000629655713 363259832 /nfs/dbraw/zinc/25/98/32/363259832.db2.gz YBRBCUKPQIFZKN-NDBYEHHHSA-N 2 3 293.377 1.691 20 0 CDADHP CC(C)[C@H](CN)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000634995270 360623117 /nfs/dbraw/zinc/62/31/17/360623117.db2.gz ZKBSFWGAULDRLG-ARFHVFGLSA-N 2 3 267.461 1.929 20 0 CDADHP CC(C)[C@H](CN)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000634995270 360623120 /nfs/dbraw/zinc/62/31/20/360623120.db2.gz ZKBSFWGAULDRLG-ARFHVFGLSA-N 2 3 267.461 1.929 20 0 CDADHP C[C@@H]1C[C@@H](CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000414656960 241305091 /nfs/dbraw/zinc/30/50/91/241305091.db2.gz NXIGKYMSSVXDCI-NLXYCFSDSA-N 2 3 251.418 1.589 20 0 CDADHP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1OCCN(C)C ZINC000422834602 245315132 /nfs/dbraw/zinc/31/51/32/245315132.db2.gz ZUUKIWWJYAUIGY-CQSZACIVSA-N 2 3 279.428 1.844 20 0 CDADHP C[N@H+]1CC=C(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000392202380 391372690 /nfs/dbraw/zinc/37/26/90/391372690.db2.gz AAEIVPFPCJEKGX-BZUAXINKSA-N 2 3 263.429 1.759 20 0 CDADHP C[N@@H+]1CC=C(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000392202380 391372695 /nfs/dbraw/zinc/37/26/95/391372695.db2.gz AAEIVPFPCJEKGX-BZUAXINKSA-N 2 3 263.429 1.759 20 0 CDADHP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc2c1CNC2 ZINC000647799918 391662643 /nfs/dbraw/zinc/66/26/43/391662643.db2.gz UEVQADDMCTVUOD-DJIMGWMZSA-N 2 3 271.408 1.768 20 0 CDADHP C1=C(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC[NH2+]C1 ZINC000423359715 392541797 /nfs/dbraw/zinc/54/17/97/392541797.db2.gz VJHHBXMSWVQMNQ-HRCADAONSA-N 2 3 263.429 1.807 20 0 CDADHP CCN(CC)CCC[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349164 482463808 /nfs/dbraw/zinc/46/38/08/482463808.db2.gz CWULRMIHCDGICV-YESZJQIVSA-N 2 3 297.487 1.937 20 0 CDADHP CCN(CC)CCC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349164 482463809 /nfs/dbraw/zinc/46/38/09/482463809.db2.gz CWULRMIHCDGICV-YESZJQIVSA-N 2 3 297.487 1.937 20 0 CDADHP CCC[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCNCC1 ZINC000903740699 626079111 /nfs/dbraw/zinc/07/91/11/626079111.db2.gz JWACBWXQXVMXCA-MRXNPFEDSA-N 2 3 295.471 1.609 20 0 CDADHP CCC[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCNCC1 ZINC000903740699 626079112 /nfs/dbraw/zinc/07/91/12/626079112.db2.gz JWACBWXQXVMXCA-MRXNPFEDSA-N 2 3 295.471 1.609 20 0 CDADHP CCCN(C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC[NH2+]CC1 ZINC000903740699 626079113 /nfs/dbraw/zinc/07/91/13/626079113.db2.gz JWACBWXQXVMXCA-MRXNPFEDSA-N 2 3 295.471 1.609 20 0 CDADHP NCC12CCC(CC1)C[N@@H+]2C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903768767 626085381 /nfs/dbraw/zinc/08/53/81/626085381.db2.gz QIKSNKGALXATMC-ISXOHVOVSA-N 2 3 293.455 1.348 20 0 CDADHP NCC12CCC(CC1)C[N@H+]2C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903768767 626085384 /nfs/dbraw/zinc/08/53/84/626085384.db2.gz QIKSNKGALXATMC-ISXOHVOVSA-N 2 3 293.455 1.348 20 0 CDADHP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCNCCC12CCC2 ZINC000903783210 626092773 /nfs/dbraw/zinc/09/27/73/626092773.db2.gz WJQPIDQTRCRFBW-HNNXBMFYSA-N 2 3 293.455 1.363 20 0 CDADHP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCNCCC12CCC2 ZINC000903783210 626092776 /nfs/dbraw/zinc/09/27/76/626092776.db2.gz WJQPIDQTRCRFBW-HNNXBMFYSA-N 2 3 293.455 1.363 20 0 CDADHP CC(C)[NH+]1CCC(CC[NH2+]C2CCNCC2)CC1 ZINC000873243111 825346867 /nfs/dbraw/zinc/34/68/67/825346867.db2.gz UURWYOAGLYVTGR-UHFFFAOYSA-N 2 3 253.434 1.839 20 0 CDADHP CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000715556410 825649404 /nfs/dbraw/zinc/64/94/04/825649404.db2.gz CWLVKADXGXIENG-RFBLXINOSA-N 2 3 265.445 1.837 20 0 CDADHP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)C2CNC2)CC1 ZINC000873242000 825721841 /nfs/dbraw/zinc/72/18/41/825721841.db2.gz KDFOXEBKSXBVTA-CYBMUJFWSA-N 2 3 253.434 1.694 20 0 CDADHP NC[C@]12CCC[C@H]1C[N@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000923386291 827635732 /nfs/dbraw/zinc/63/57/32/827635732.db2.gz JDTGRPMATKLKMN-QPBSCJPLSA-N 2 3 277.456 1.968 20 0 CDADHP NC[C@]12CCC[C@H]1C[N@@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000923386291 827635735 /nfs/dbraw/zinc/63/57/35/827635735.db2.gz JDTGRPMATKLKMN-QPBSCJPLSA-N 2 3 277.456 1.968 20 0 CDADHP CN1CCC(O)(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925610927 828278400 /nfs/dbraw/zinc/27/84/00/828278400.db2.gz IXGUUSQFKJZVQL-INIZCTEOSA-N 2 3 291.439 1.513 20 0 CDADHP C[NH+](C)C1CCC([N@@H+]2CCCC[C@H](CN)C2)CC1 ZINC000715203343 913919355 /nfs/dbraw/zinc/91/93/55/913919355.db2.gz QZLGTSQUILVXRF-WLYUNCDWSA-N 2 3 253.434 1.920 20 0 CDADHP C[NH+](C)C1CCC([N@H+]2CCCC[C@H](CN)C2)CC1 ZINC000715203343 913919363 /nfs/dbraw/zinc/91/93/63/913919363.db2.gz QZLGTSQUILVXRF-WLYUNCDWSA-N 2 3 253.434 1.920 20 0 CDADHP F[C@]1(CN[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCCC[NH2+]C1 ZINC001246110203 931052546 /nfs/dbraw/zinc/05/25/46/931052546.db2.gz HREPJRJRLOJIHI-ARFHVFGLSA-N 2 3 283.435 1.980 20 0 CDADHP [NH3+][C@@H]1CCCN(Cc2cccc(N3CC[NH2+]CC3)c2)CC1 ZINC001205110076 939823092 /nfs/dbraw/zinc/82/30/92/939823092.db2.gz NYQNSKJXXXNULA-MRXNPFEDSA-N 2 3 288.439 1.409 20 0 CDADHP C[NH+]1CCC(C)(CN2CCC([NH+]3CCC3)CC2)CC1 ZINC001208114906 940292738 /nfs/dbraw/zinc/29/27/38/940292738.db2.gz FDRZFKIXCUXBIY-UHFFFAOYSA-N 2 3 265.445 1.888 20 0 CDADHP CC[NH+](CC)CCCN1CCN(CCCC[NH3+])CC1 ZINC001235868937 944301439 /nfs/dbraw/zinc/30/14/39/944301439.db2.gz WYUPLIKIOZTTHA-UHFFFAOYSA-N 2 3 270.465 1.075 20 0 CDADHP CC[C@@H]1C[C@@H](NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)C[C@H](CC)[NH2+]1 ZINC001246153229 947993175 /nfs/dbraw/zinc/99/31/75/947993175.db2.gz YBKKSQCTWXMMDW-DBHDPKECSA-N 2 3 295.471 1.510 20 0 CDADHP CN1C(C)(C)CC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1(C)C ZINC001246287194 948078909 /nfs/dbraw/zinc/07/89/09/948078909.db2.gz JHMAMPITQDRXNS-ZDUSSCGKSA-N 2 3 294.487 1.321 20 0 CDADHP COCCC1(CN[C@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]CC1 ZINC001246368558 948140302 /nfs/dbraw/zinc/14/03/02/948140302.db2.gz FVZSVHRIGVJPRN-KGLIPLIRSA-N 2 3 269.433 1.123 20 0 CDADHP C1=C[C@H](NC2CCC3(CC[NH2+]CC3)CC2)[C@@H]2C[NH2+]C[C@H]12 ZINC001246471863 948192273 /nfs/dbraw/zinc/19/22/73/948192273.db2.gz CSFDDGPCPPNGCO-IMJJTQAJSA-N 2 3 275.440 1.662 20 0 CDADHP CC(C)[C@H]1C[C@H]([N@H+](C)CC2CC[NH2+]CC2)CCN1 ZINC001246682154 948402667 /nfs/dbraw/zinc/40/26/67/948402667.db2.gz SYAZHPRNTWHZPZ-HUUCEWRRSA-N 2 3 253.434 1.694 20 0 CDADHP CC(C)[C@H]1C[C@H]([N@@H+](C)CC2CC[NH2+]CC2)CCN1 ZINC001246682154 948402672 /nfs/dbraw/zinc/40/26/72/948402672.db2.gz SYAZHPRNTWHZPZ-HUUCEWRRSA-N 2 3 253.434 1.694 20 0 CDADHP CC1(C)[C@H]([NH2+]CC2(C)CC[NH2+]CC2)[C@H]2CCCN[C@@H]21 ZINC001553024475 964486509 /nfs/dbraw/zinc/48/65/09/964486509.db2.gz FKQMUWSJIBXNRR-MELADBBJSA-N 2 3 265.445 1.742 20 0 CDADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC001553027665 964492889 /nfs/dbraw/zinc/49/28/89/964492889.db2.gz ZGYXEQSGIVPAPT-MMCPYJTDSA-N 2 3 265.445 1.870 20 0 CDADHP C[C@]12C[NH2+]C[C@]1(C)CN(CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001550437536 965940172 /nfs/dbraw/zinc/94/01/72/965940172.db2.gz PEYLBZQIWLNTIY-SLUKUZTOSA-N 2 3 277.456 1.839 20 0 CDADHP [NH3+]CC1(c2ccccc2)CC(N[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC001550945566 966298003 /nfs/dbraw/zinc/29/80/03/966298003.db2.gz VHLWOTRXOMOFKH-VUROTCPHSA-N 2 3 285.435 1.905 20 0 CDADHP C[C@@H]1C[C@H](CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000629655228 363259272 /nfs/dbraw/zinc/25/92/72/363259272.db2.gz UMCDLBXYMWRXTP-NDBYEHHHSA-N 2 3 293.377 1.834 20 0 CDADHP CN(CC[C@@H]1CCC[N@@H+]1C)CCN(C)C1CC[NH+](C)CC1 ZINC000162185167 358827007 /nfs/dbraw/zinc/82/70/07/358827007.db2.gz QNWSUSMICZVRHA-INIZCTEOSA-N 2 3 296.503 1.429 20 0 CDADHP CN(CC[C@@H]1CCC[N@H+]1C)CCN(C)C1CC[NH+](C)CC1 ZINC000162185167 358827010 /nfs/dbraw/zinc/82/70/10/358827010.db2.gz QNWSUSMICZVRHA-INIZCTEOSA-N 2 3 296.503 1.429 20 0 CDADHP C[C@H]1C[C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)CC[N@@H+]1C ZINC000635010283 360653131 /nfs/dbraw/zinc/65/31/31/360653131.db2.gz RYYFWGZRMDSEGS-KBPBESRZSA-N 2 3 289.427 1.386 20 0 CDADHP C[C@H]1C[C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)CC[N@H+]1C ZINC000635010283 360653134 /nfs/dbraw/zinc/65/31/34/360653134.db2.gz RYYFWGZRMDSEGS-KBPBESRZSA-N 2 3 289.427 1.386 20 0 CDADHP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](CN)C3(C2)CCOCC3)CC[NH2+]1 ZINC000520582120 361545401 /nfs/dbraw/zinc/54/54/01/361545401.db2.gz OYDGYXHYCVPQKU-RBSFLKMASA-N 2 3 281.444 1.062 20 0 CDADHP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](CN)C3(C2)CCOCC3)CC[NH2+]1 ZINC000520582120 361545404 /nfs/dbraw/zinc/54/54/04/361545404.db2.gz OYDGYXHYCVPQKU-RBSFLKMASA-N 2 3 281.444 1.062 20 0 CDADHP [NH3+]CCCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000414703268 241338082 /nfs/dbraw/zinc/33/80/82/241338082.db2.gz JKOFLRRMOORBNF-UHFFFAOYSA-N 2 3 253.434 1.923 20 0 CDADHP C([C@@H]1CCC[NH2+]C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000336021398 390902467 /nfs/dbraw/zinc/90/24/67/390902467.db2.gz MUXYWIDNBFRRQY-UKRRQHHQSA-N 2 3 251.418 1.308 20 0 CDADHP C([C@@H]1CCCNC1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000336021398 390902468 /nfs/dbraw/zinc/90/24/68/390902468.db2.gz MUXYWIDNBFRRQY-UKRRQHHQSA-N 2 3 251.418 1.308 20 0 CDADHP C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000647508940 390975320 /nfs/dbraw/zinc/97/53/20/390975320.db2.gz ANAHVLDBLBYYNU-GOEBONIOSA-N 2 3 291.439 1.796 20 0 CDADHP NCC1(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000656785853 413663748 /nfs/dbraw/zinc/66/37/48/413663748.db2.gz KFMOZNFDIMYZMY-AWEZNQCLSA-N 2 3 251.418 1.437 20 0 CDADHP C[C@]1(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC000530248825 271183395 /nfs/dbraw/zinc/18/33/95/271183395.db2.gz QABSJJCKSDIZIP-HOTGVXAUSA-N 2 3 281.444 1.077 20 0 CDADHP C[NH+](C)CCOC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346834806 289166108 /nfs/dbraw/zinc/16/61/08/289166108.db2.gz MZWNVAMHMWFHPZ-CQSZACIVSA-N 2 3 269.433 1.029 20 0 CDADHP C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000423564837 290025067 /nfs/dbraw/zinc/02/50/67/290025067.db2.gz YGQZQRSUDZUMAG-XPABHHOTSA-N 2 3 251.418 1.495 20 0 CDADHP NC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000568499405 294046107 /nfs/dbraw/zinc/04/61/07/294046107.db2.gz UHZZPVRCJDUNLB-VYDXJSESSA-N 2 3 287.407 1.569 20 0 CDADHP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925703716 617770486 /nfs/dbraw/zinc/77/04/86/617770486.db2.gz FFRVVZMHMVZIQI-SYAUCNOPSA-N 2 3 265.445 1.872 20 0 CDADHP C([C@H]1CCCC[NH2+]C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000903752711 626073759 /nfs/dbraw/zinc/07/37/59/626073759.db2.gz UQJXRFDMMXMASA-GOEBONIOSA-N 2 3 265.445 1.840 20 0 CDADHP C[NH2+]CCC1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904301700 626242428 /nfs/dbraw/zinc/24/24/28/626242428.db2.gz PGFDNFJAYYHLBX-HNNXBMFYSA-N 2 3 253.434 1.698 20 0 CDADHP C[C@H]1CC2(C[N@@H+]1C[C@]1(C)CCCNC1)CC[NH2+]CC2 ZINC000904374329 626269735 /nfs/dbraw/zinc/26/97/35/626269735.db2.gz PXCUELFRFVDHDK-LSDHHAIUSA-N 2 3 265.445 1.840 20 0 CDADHP C[C@H]1CC2(C[N@H+]1C[C@]1(C)CCCNC1)CC[NH2+]CC2 ZINC000904374329 626269739 /nfs/dbraw/zinc/26/97/39/626269739.db2.gz PXCUELFRFVDHDK-LSDHHAIUSA-N 2 3 265.445 1.840 20 0 CDADHP [NH3+][C@H]1CCC[C@@H](NCc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873213006 833284419 /nfs/dbraw/zinc/28/44/19/833284419.db2.gz UHVRDFZOVUCQEN-NWDGAFQWSA-N 2 3 265.426 1.753 20 0 CDADHP N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925817198 834358499 /nfs/dbraw/zinc/35/84/99/834358499.db2.gz NKENBPLGCUBHOR-DLBZAZTESA-N 2 3 288.439 1.061 20 0 CDADHP CCOC(=O)[C@H]1CCC[C@H](NCCC[NH2+]CCCC[NH3+])C1 ZINC001246456593 931499646 /nfs/dbraw/zinc/49/96/46/931499646.db2.gz JSORISNGQQRWTB-GJZGRUSLSA-N 2 3 299.459 1.417 20 0 CDADHP C[NH2+]CC[C@H](C)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246677589 932200057 /nfs/dbraw/zinc/20/00/57/932200057.db2.gz JUNYKWHUBHLWNX-SOUVJXGZSA-N 2 3 253.434 1.696 20 0 CDADHP C1NCC12CCC[N@@H+]([C@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246789663 932210371 /nfs/dbraw/zinc/21/03/71/932210371.db2.gz DUAMPOBIPAQKBY-LSDHHAIUSA-N 2 3 263.429 1.594 20 0 CDADHP C1NCC12CCC[N@H+]([C@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246789663 932210374 /nfs/dbraw/zinc/21/03/74/932210374.db2.gz DUAMPOBIPAQKBY-LSDHHAIUSA-N 2 3 263.429 1.594 20 0 CDADHP CC1(C[N@@H+]2CCC[C@]23CCCNC3)CC[NH2+]CC1 ZINC001222231060 941576588 /nfs/dbraw/zinc/57/65/88/941576588.db2.gz IBTKBANRQHRPQQ-HNNXBMFYSA-N 2 3 251.418 1.594 20 0 CDADHP CC1(C[N@H+]2CCC[C@]23CCCNC3)CC[NH2+]CC1 ZINC001222231060 941576591 /nfs/dbraw/zinc/57/65/91/941576591.db2.gz IBTKBANRQHRPQQ-HNNXBMFYSA-N 2 3 251.418 1.594 20 0 CDADHP CC1(CN2CCC[C@]23CCC[NH2+]C3)CC[NH2+]CC1 ZINC001222231060 941576596 /nfs/dbraw/zinc/57/65/96/941576596.db2.gz IBTKBANRQHRPQQ-HNNXBMFYSA-N 2 3 251.418 1.594 20 0 CDADHP c1ccc([C@@]23C[NH2+]C[C@@H]2CN(CC[C@H]2CCC[NH2+]C2)C3)cc1 ZINC001236013127 944371177 /nfs/dbraw/zinc/37/11/77/944371177.db2.gz XWKRZJOHVOIGIV-QRQLOZEOSA-N 2 3 299.462 1.849 20 0 CDADHP CC1(C[N@H+](C[C@H]2CCCNC2)C2CC2)CC[NH2+]CC1 ZINC001236584672 944518654 /nfs/dbraw/zinc/51/86/54/944518654.db2.gz OZMNNBGHXHWFDK-AWEZNQCLSA-N 2 3 265.445 1.840 20 0 CDADHP CC1(C[N@@H+](C[C@H]2CCCNC2)C2CC2)CC[NH2+]CC1 ZINC001236584672 944518660 /nfs/dbraw/zinc/51/86/60/944518660.db2.gz OZMNNBGHXHWFDK-AWEZNQCLSA-N 2 3 265.445 1.840 20 0 CDADHP c1cc(N2CC[NH2+]CC2)cc(-c2ccc3c(c2)C[NH2+]C3)n1 ZINC001242675413 946841581 /nfs/dbraw/zinc/84/15/81/946841581.db2.gz GOJTXDXNRVZQGS-UHFFFAOYSA-N 2 3 280.375 1.761 20 0 CDADHP CCN1CCO[C@@H]2C[N@@H+]([C@H]3CCC[NH+](C)CC3)C[C@@H]2C1 ZINC001254521403 947488025 /nfs/dbraw/zinc/48/80/25/947488025.db2.gz KGALPCZZOMYYRA-HRCADAONSA-N 2 3 281.444 1.123 20 0 CDADHP CCN1CCO[C@@H]2C[N@H+]([C@H]3CCC[NH+](C)CC3)C[C@@H]2C1 ZINC001254521403 947488032 /nfs/dbraw/zinc/48/80/32/947488032.db2.gz KGALPCZZOMYYRA-HRCADAONSA-N 2 3 281.444 1.123 20 0 CDADHP CCN1CCO[C@@H]2C[NH+]([C@H]3CCC[N@H+](C)CC3)C[C@@H]2C1 ZINC001254521403 947488038 /nfs/dbraw/zinc/48/80/38/947488038.db2.gz KGALPCZZOMYYRA-HRCADAONSA-N 2 3 281.444 1.123 20 0 CDADHP CCN1CCO[C@@H]2C[NH+]([C@H]3CCC[N@@H+](C)CC3)C[C@@H]2C1 ZINC001254521403 947488043 /nfs/dbraw/zinc/48/80/43/947488043.db2.gz KGALPCZZOMYYRA-HRCADAONSA-N 2 3 281.444 1.123 20 0 CDADHP C[C@@H]1CC[C@@H](CNC2CCC([NH+](C)C)CC2)[NH2+]C1 ZINC001246103298 947953374 /nfs/dbraw/zinc/95/33/74/947953374.db2.gz HINRARQZBPSSFT-JLVJUDLZSA-N 2 3 253.434 1.837 20 0 CDADHP C[C@@H]1CC([NH2+]C[C@@H]2CC[NH2+]CC[C@@H]2C)C[C@@H](C)N1 ZINC001246112701 947962799 /nfs/dbraw/zinc/96/27/99/947962799.db2.gz RHVOCYQUDCCHIA-DGAVXFQQSA-N 2 3 253.434 1.741 20 0 CDADHP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246133565 947978276 /nfs/dbraw/zinc/97/82/76/947978276.db2.gz KGAHQUBYSWFLLV-IZGVIRRGSA-N 2 3 279.428 1.160 20 0 CDADHP CCCC[C@@H]1C[C@H](NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001246145985 947989678 /nfs/dbraw/zinc/98/96/78/947989678.db2.gz GNOSYFTYPRMOCB-WRQOLXDDSA-N 2 3 295.471 1.511 20 0 CDADHP CC(C)[NH+]1CCC(NC[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001246146969 947990043 /nfs/dbraw/zinc/99/00/43/947990043.db2.gz OYZMQWFFMIPBSE-MRXNPFEDSA-N 2 3 294.487 1.323 20 0 CDADHP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CCN1 ZINC001246225979 948040778 /nfs/dbraw/zinc/04/07/78/948040778.db2.gz SHGCULWYGNEBPY-TUVASFSCSA-N 2 3 251.418 1.639 20 0 CDADHP C[NH+](C)Cc1ccc(CC[NH2+]C2CCNCC2)cc1 ZINC001246257930 948063082 /nfs/dbraw/zinc/06/30/82/948063082.db2.gz ZFOKBSCVCNYIFJ-UHFFFAOYSA-N 2 3 261.413 1.632 20 0 CDADHP [NH3+]CCCC[NH2+]CCCNC1Cc2ccccc2C1 ZINC001246455422 948183263 /nfs/dbraw/zinc/18/32/63/948183263.db2.gz FFXVXOWJUWSLAB-UHFFFAOYSA-N 2 3 261.413 1.462 20 0 CDADHP [NH3+]C[C@H]1CN([C@H]2CCC3(C[NH2+]C3)C2)CCC1(F)F ZINC001246556135 948268306 /nfs/dbraw/zinc/26/83/06/948268306.db2.gz DDXJRKZXACDKJR-QWRGUYRKSA-N 2 3 259.344 1.044 20 0 CDADHP [NH3+]C[C@@H]1CN([C@H]2CCC3(C2)CC[NH2+]CC3)CCC1(F)F ZINC001246565919 948282861 /nfs/dbraw/zinc/28/28/61/948282861.db2.gz ZYGVMAWYNPCAAP-OLZOCXBDSA-N 2 3 287.398 1.825 20 0 CDADHP C[C@H]1[C@H](CN)CCC[N@@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246567684 948285802 /nfs/dbraw/zinc/28/58/02/948285802.db2.gz XOSVJBFEQUBKJO-FXQLRMTLSA-N 2 3 265.445 1.968 20 0 CDADHP C[C@H]1[C@H](CN)CCC[N@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246567684 948285810 /nfs/dbraw/zinc/28/58/10/948285810.db2.gz XOSVJBFEQUBKJO-FXQLRMTLSA-N 2 3 265.445 1.968 20 0 CDADHP C[NH2+]CC[C@@H](C)N1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001246662541 948393780 /nfs/dbraw/zinc/39/37/80/948393780.db2.gz IBCPASPEXFBVJY-HIFRSBDPSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CCN1 ZINC001549338361 968142689 /nfs/dbraw/zinc/14/26/89/968142689.db2.gz YRRJDAUDPLHDLL-BBRMVZONSA-N 2 3 265.445 1.839 20 0 CDADHP CC(C)[C@H](CN)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000634996461 360626500 /nfs/dbraw/zinc/62/65/00/360626500.db2.gz KNUWKLQMTSWQRZ-JKSUJKDBSA-N 2 3 267.461 1.929 20 0 CDADHP CC(C)[C@H](C[NH3+])CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000634996461 360626503 /nfs/dbraw/zinc/62/65/03/360626503.db2.gz KNUWKLQMTSWQRZ-JKSUJKDBSA-N 2 3 267.461 1.929 20 0 CDADHP [NH3+]C[C@H]1CCCC[C@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635012104 360657269 /nfs/dbraw/zinc/65/72/69/360657269.db2.gz QOOXTARMQXABOY-UKRRQHHQSA-N 2 3 289.427 1.421 20 0 CDADHP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000566481234 370747885 /nfs/dbraw/zinc/74/78/85/370747885.db2.gz BPQMSDCPBFFRIY-CABCVRRESA-N 2 3 253.434 1.968 20 0 CDADHP NCCC[N@H+](CC[C@@H]1CC[NH2+]C1)CC1CCCC1 ZINC000420314904 244069609 /nfs/dbraw/zinc/06/96/09/244069609.db2.gz LQDNBMCQSJOKIE-AWEZNQCLSA-N 2 3 253.434 1.827 20 0 CDADHP NCCC[N@@H+](CC[C@@H]1CC[NH2+]C1)CC1CCCC1 ZINC000420314904 244069616 /nfs/dbraw/zinc/06/96/16/244069616.db2.gz LQDNBMCQSJOKIE-AWEZNQCLSA-N 2 3 253.434 1.827 20 0 CDADHP C[C@H]1CCCC[N@@H+]1CCCCNC[C@H](O)C[NH+](C)C1CC1 ZINC000584405707 373723608 /nfs/dbraw/zinc/72/36/08/373723608.db2.gz WVWUQMPUTJKYDA-RDJZCZTQSA-N 2 3 297.487 1.686 20 0 CDADHP C[C@H]1CCCC[N@H+]1CCCCNC[C@H](O)C[NH+](C)C1CC1 ZINC000584405707 373723615 /nfs/dbraw/zinc/72/36/15/373723615.db2.gz WVWUQMPUTJKYDA-RDJZCZTQSA-N 2 3 297.487 1.686 20 0 CDADHP C[C@H]1CCCC[NH+]1CCCCNC[C@H](O)C[N@H+](C)C1CC1 ZINC000584405707 373723624 /nfs/dbraw/zinc/72/36/24/373723624.db2.gz WVWUQMPUTJKYDA-RDJZCZTQSA-N 2 3 297.487 1.686 20 0 CDADHP C[C@H]1CCCC[NH+]1CCCCNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000584405707 373723630 /nfs/dbraw/zinc/72/36/30/373723630.db2.gz WVWUQMPUTJKYDA-RDJZCZTQSA-N 2 3 297.487 1.686 20 0 CDADHP C[NH+]1CCC(C)(C[NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000300240769 375455996 /nfs/dbraw/zinc/45/59/96/375455996.db2.gz WOFAVNLGOWTBHE-GJZGRUSLSA-N 2 3 265.445 1.935 20 0 CDADHP C[C@@H](CCC[NH3+])[NH2+]Cc1ccncc1OCCN(C)C ZINC000423118420 392359329 /nfs/dbraw/zinc/35/93/29/392359329.db2.gz ALUHLGDGQZYSLD-ZDUSSCGKSA-N 2 3 280.416 1.239 20 0 CDADHP CCOCCC[N@@H+]1CC[C@H](NCC2=CC[NH2+]CC2)[C@@H](C)C1 ZINC000423334832 392522896 /nfs/dbraw/zinc/52/28/96/392522896.db2.gz GAIORVDLPVYPQT-RDJZCZTQSA-N 2 3 295.471 1.633 20 0 CDADHP CCOCCC[N@H+]1CC[C@H](NCC2=CC[NH2+]CC2)[C@@H](C)C1 ZINC000423334832 392522902 /nfs/dbraw/zinc/52/29/02/392522902.db2.gz GAIORVDLPVYPQT-RDJZCZTQSA-N 2 3 295.471 1.633 20 0 CDADHP COCC1(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CC[NH2+]CC1 ZINC000423409162 292248507 /nfs/dbraw/zinc/24/85/07/292248507.db2.gz PSRGHSBDXVBQSF-JKSUJKDBSA-N 2 3 289.423 1.737 20 0 CDADHP C[C@H]([NH3+])[C@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652339990 424261711 /nfs/dbraw/zinc/26/17/11/424261711.db2.gz WSDPVLVOOVFCCK-WFASDCNBSA-N 2 3 259.397 1.501 20 0 CDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000848996501 839816147 /nfs/dbraw/zinc/81/61/47/839816147.db2.gz ZNCYDVRPDBJHQN-HUUCEWRRSA-N 2 3 295.475 1.315 20 0 CDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000848996501 839816148 /nfs/dbraw/zinc/81/61/48/839816148.db2.gz ZNCYDVRPDBJHQN-HUUCEWRRSA-N 2 3 295.475 1.315 20 0 CDADHP NCC[C@@H]1CCC[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235925520 914437982 /nfs/dbraw/zinc/43/79/82/914437982.db2.gz RTUCWQMEFVLIQW-AWEZNQCLSA-N 2 3 251.418 1.579 20 0 CDADHP NCC[C@@H]1CCC[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235925520 914437988 /nfs/dbraw/zinc/43/79/88/914437988.db2.gz RTUCWQMEFVLIQW-AWEZNQCLSA-N 2 3 251.418 1.579 20 0 CDADHP C(C[N@H+](C[C@H]1CCCNC1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236584491 915751502 /nfs/dbraw/zinc/75/15/02/915751502.db2.gz FRMOMWFTCBAIEX-CABCVRRESA-N 2 3 265.445 1.840 20 0 CDADHP C(C[N@@H+](C[C@H]1CCCNC1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236584491 915751520 /nfs/dbraw/zinc/75/15/20/915751520.db2.gz FRMOMWFTCBAIEX-CABCVRRESA-N 2 3 265.445 1.840 20 0 CDADHP C1NCC12CCC[N@@H+]([C@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246789661 932210800 /nfs/dbraw/zinc/21/08/00/932210800.db2.gz DUAMPOBIPAQKBY-GJZGRUSLSA-N 2 3 263.429 1.594 20 0 CDADHP C1NCC12CCC[N@H+]([C@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246789661 932210803 /nfs/dbraw/zinc/21/08/03/932210803.db2.gz DUAMPOBIPAQKBY-GJZGRUSLSA-N 2 3 263.429 1.594 20 0 CDADHP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)[C@@H](N)CCC[NH3+] ZINC001220384451 941442491 /nfs/dbraw/zinc/44/24/91/941442491.db2.gz UQXWMEVBIOPJHD-KGLIPLIRSA-N 2 3 290.411 1.188 20 0 CDADHP CC1(C[N@@H+]2CCCC23CCNCC3)CC[NH2+]CC1 ZINC001235139659 944068075 /nfs/dbraw/zinc/06/80/75/944068075.db2.gz BWSPWRIBAYETFB-UHFFFAOYSA-N 2 3 251.418 1.594 20 0 CDADHP CC1(C[N@H+]2CCCC23CCNCC3)CC[NH2+]CC1 ZINC001235139659 944068082 /nfs/dbraw/zinc/06/80/82/944068082.db2.gz BWSPWRIBAYETFB-UHFFFAOYSA-N 2 3 251.418 1.594 20 0 CDADHP C[C@@H]1CC[C@H](CN[C@H]2CCC[C@]3(CC[NH2+]C3)C2)[NH2+]C1 ZINC001246106286 947956725 /nfs/dbraw/zinc/95/67/25/947956725.db2.gz PEXCTYRTSWLDND-QXSJWSMHSA-N 2 3 265.445 1.886 20 0 CDADHP C1CC12CNC[C@@H]2[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246136406 947979313 /nfs/dbraw/zinc/97/93/13/947979313.db2.gz WXWIHCFBBMVEKT-AWEZNQCLSA-N 2 3 263.429 1.640 20 0 CDADHP CC[C@@H]1C[C@@H](NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)C[C@H](CC)[NH2+]1 ZINC001246134505 947979371 /nfs/dbraw/zinc/97/93/71/947979371.db2.gz NLPAXBNURNEORV-AQGHMYMLSA-N 2 3 281.444 1.262 20 0 CDADHP C(N[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246146017 947989507 /nfs/dbraw/zinc/98/95/07/947989507.db2.gz NGOLBEGQPHKTNK-FZKCQIBNSA-N 2 3 292.471 1.123 20 0 CDADHP CC(C)C[NH+]1CCC(C[NH2+]C2CCNCC2)CC1 ZINC001246363863 948135069 /nfs/dbraw/zinc/13/50/69/948135069.db2.gz GAKOZDMTJGEJJA-UHFFFAOYSA-N 2 3 253.434 1.696 20 0 CDADHP CC1(C)CNCC[C@H]1[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246374234 948144692 /nfs/dbraw/zinc/14/46/92/948144692.db2.gz TVEHIUAPXFVZCW-ZIAGYGMSSA-N 2 3 265.445 1.886 20 0 CDADHP CC[C@]1([NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)CCNC1 ZINC001246465960 948188474 /nfs/dbraw/zinc/18/84/74/948188474.db2.gz UPTNARIAFMGTFD-HIFRSBDPSA-N 2 3 251.418 1.640 20 0 CDADHP CN1C(C)(C)CC([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)CC1(C)C ZINC001246543754 948244737 /nfs/dbraw/zinc/24/47/37/948244737.db2.gz NPWKMEYOKYEJJJ-KRWDZBQOSA-N 2 3 297.487 1.814 20 0 CDADHP CN1C(C)(C)CC([N@H+]2CCC[C@@](O)(C[NH3+])CC2)CC1(C)C ZINC001246543754 948244745 /nfs/dbraw/zinc/24/47/45/948244745.db2.gz NPWKMEYOKYEJJJ-KRWDZBQOSA-N 2 3 297.487 1.814 20 0 CDADHP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)(C[NH3+])CC2)CCN1 ZINC001246576823 948301741 /nfs/dbraw/zinc/30/17/41/948301741.db2.gz MZHHZAWXOJZLNQ-ILXRZTDVSA-N 2 3 253.434 1.968 20 0 CDADHP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)CCN1 ZINC001246576823 948301743 /nfs/dbraw/zinc/30/17/43/948301743.db2.gz MZHHZAWXOJZLNQ-ILXRZTDVSA-N 2 3 253.434 1.968 20 0 CDADHP CC(C)[C@H]1C[C@@H](N2CCC(C3C[NH2+]C3)CC2)CC[NH2+]1 ZINC001246676229 948401263 /nfs/dbraw/zinc/40/12/63/948401263.db2.gz CWALSMDSVMFMFQ-JKSUJKDBSA-N 2 3 265.445 1.694 20 0 CDADHP CC1(N2CCOCC2)CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC001551401886 966613505 /nfs/dbraw/zinc/61/35/05/966613505.db2.gz IQBVQWUQHREVPE-UHFFFAOYSA-N 2 3 295.471 1.609 20 0 CDADHP C[NH+]1CCC(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000128017263 359548385 /nfs/dbraw/zinc/54/83/85/359548385.db2.gz SRGKNCOCHGGKTD-HUUCEWRRSA-N 2 3 251.418 1.545 20 0 CDADHP CSC1(C[NH2+][C@H]2CCNCC[C@@H]2C)CC[NH+](C)CC1 ZINC000423126651 359752076 /nfs/dbraw/zinc/75/20/76/359752076.db2.gz SCTSZKNIIRFVHD-KBPBESRZSA-N 2 3 285.501 1.792 20 0 CDADHP COCC1(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CC[NH2+]CC1 ZINC000423409159 359773540 /nfs/dbraw/zinc/77/35/40/359773540.db2.gz PSRGHSBDXVBQSF-CVEARBPZSA-N 2 3 289.423 1.737 20 0 CDADHP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CCC[C@H]2N)cc1 ZINC000422717724 245173991 /nfs/dbraw/zinc/17/39/91/245173991.db2.gz PANWWDZILQFBBF-SJORKVTESA-N 2 3 291.439 1.987 20 0 CDADHP C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422719798 245178575 /nfs/dbraw/zinc/17/85/75/245178575.db2.gz RMZYQKPXVKDTMQ-BBWFWOEESA-N 2 3 297.487 1.985 20 0 CDADHP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)C1CNC1 ZINC000422881074 245367784 /nfs/dbraw/zinc/36/77/84/245367784.db2.gz NKDONJFUDHWTPJ-KGLIPLIRSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CNC1 ZINC000422881074 245367786 /nfs/dbraw/zinc/36/77/86/245367786.db2.gz NKDONJFUDHWTPJ-KGLIPLIRSA-N 2 3 253.434 1.839 20 0 CDADHP CC(C)N1CCC([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000335061483 392075862 /nfs/dbraw/zinc/07/58/62/392075862.db2.gz WKTUAMZKQFCWMX-HIFRSBDPSA-N 2 3 253.434 1.837 20 0 CDADHP C[NH+]1CCC(CC[NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000252703124 392250176 /nfs/dbraw/zinc/25/01/76/392250176.db2.gz JQDDGXOXZDIBTO-CVEARBPZSA-N 2 3 265.445 1.935 20 0 CDADHP C[C@H](CC[NH3+])NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000666831936 482942543 /nfs/dbraw/zinc/94/25/43/482942543.db2.gz MKRXJOBTFXPUCN-OAHLLOKOSA-N 2 3 291.439 1.988 20 0 CDADHP CC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCCNCC1 ZINC000414718260 535772933 /nfs/dbraw/zinc/77/29/33/535772933.db2.gz RAUPLWFFNDRPLB-RBSFLKMASA-N 2 3 253.434 1.839 20 0 CDADHP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCCNCC1 ZINC000414718260 535772936 /nfs/dbraw/zinc/77/29/36/535772936.db2.gz RAUPLWFFNDRPLB-RBSFLKMASA-N 2 3 253.434 1.839 20 0 CDADHP CC(C)[C@H](C[NH3+])CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959120 626159102 /nfs/dbraw/zinc/15/91/02/626159102.db2.gz AWNNXNJSHJTJOQ-CABCVRRESA-N 2 3 253.434 1.683 20 0 CDADHP C[C@@H]1C[C@H](C)N(Cc2ccc(C[NH3+])cc2)C[C@@H]1C[NH3+] ZINC000904372730 626268431 /nfs/dbraw/zinc/26/84/31/626268431.db2.gz HWHBOZNQIOGOSC-WWGRRREGSA-N 2 3 261.413 1.951 20 0 CDADHP C[C@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCN1c1ccncc1 ZINC000883447574 845092027 /nfs/dbraw/zinc/09/20/27/845092027.db2.gz GFRNQKNTYMOJBU-GJZGRUSLSA-N 2 3 274.412 1.592 20 0 CDADHP C[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCN1c1ccncc1 ZINC000883447574 845092031 /nfs/dbraw/zinc/09/20/31/845092031.db2.gz GFRNQKNTYMOJBU-GJZGRUSLSA-N 2 3 274.412 1.592 20 0 CDADHP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCN1c1ccncc1 ZINC000883447575 845723873 /nfs/dbraw/zinc/72/38/73/845723873.db2.gz GFRNQKNTYMOJBU-HUUCEWRRSA-N 2 3 274.412 1.592 20 0 CDADHP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCN1c1ccncc1 ZINC000883447575 845723880 /nfs/dbraw/zinc/72/38/80/845723880.db2.gz GFRNQKNTYMOJBU-HUUCEWRRSA-N 2 3 274.412 1.592 20 0 CDADHP C[C@H]([NH3+])[C@H]1CCCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923286963 847293119 /nfs/dbraw/zinc/29/31/19/847293119.db2.gz BWIDQFFLISZHJB-QQOZWVEPSA-N 2 3 265.445 1.966 20 0 CDADHP CCCN(Cc1cccc(C[NH3+])c1)C[C@@H]1CC[NH2+]C1 ZINC001236844489 916748504 /nfs/dbraw/zinc/74/85/04/916748504.db2.gz VGNZNECELKPESX-MRXNPFEDSA-N 2 3 261.413 1.967 20 0 CDADHP CC[NH+]1CCC(N2CCC(C[NH+](C)C)CC2)CC1 ZINC001169254840 927896540 /nfs/dbraw/zinc/89/65/40/927896540.db2.gz IYXYOTSSELAVNQ-UHFFFAOYSA-N 2 3 253.434 1.744 20 0 CDADHP CC(C)(C)[C@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)CCN1 ZINC001246072113 930904431 /nfs/dbraw/zinc/90/44/31/930904431.db2.gz FKIGBNULCXQBKT-UONOGXRCSA-N 2 3 253.434 1.742 20 0 CDADHP C[C@H]1NCC[C@H]1[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246103663 931015338 /nfs/dbraw/zinc/01/53/38/931015338.db2.gz XSFQCIBVSZBZIY-FEWQNLEASA-N 2 3 251.418 1.639 20 0 CDADHP F[C@]1(CN[C@H]2CCC[C@]3(CC[NH2+]C3)C2)CCCC[NH2+]C1 ZINC001246110215 931052195 /nfs/dbraw/zinc/05/21/95/931052195.db2.gz HREPJRJRLOJIHI-HRCADAONSA-N 2 3 283.435 1.980 20 0 CDADHP [NH3+]C[C@H]1CN(CCC2CC[NH2+]CC2)CCC1(F)F ZINC001205735275 939929909 /nfs/dbraw/zinc/92/99/09/939929909.db2.gz MFSOEFMAXGBUGV-LBPRGKRZSA-N 2 3 261.360 1.292 20 0 CDADHP C[NH+](C)CCCN1CCN(CC2(C)CC[NH+](C)CC2)CC1 ZINC001208112910 940291385 /nfs/dbraw/zinc/29/13/85/940291385.db2.gz BZKWDIBJUISINK-UHFFFAOYSA-N 2 3 296.503 1.288 20 0 CDADHP C[NH+]1CCC[C@H](CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)C1 ZINC001208611714 940353476 /nfs/dbraw/zinc/35/34/76/940353476.db2.gz XCXRTRFAPGCWNB-ZNMIVQPWSA-N 2 3 251.418 1.212 20 0 CDADHP C[NH+]1CCC[C@H](CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)C1 ZINC001208611714 940353478 /nfs/dbraw/zinc/35/34/78/940353478.db2.gz XCXRTRFAPGCWNB-ZNMIVQPWSA-N 2 3 251.418 1.212 20 0 CDADHP C[NH+]1CC[C@@H]2CN(C[C@H]3CCC[N@H+](C)C3)C[C@@H]2C1 ZINC001208611714 940353480 /nfs/dbraw/zinc/35/34/80/940353480.db2.gz XCXRTRFAPGCWNB-ZNMIVQPWSA-N 2 3 251.418 1.212 20 0 CDADHP C[NH+]1CC[C@@H]2CN(C[C@H]3CCC[N@@H+](C)C3)C[C@@H]2C1 ZINC001208611714 940353482 /nfs/dbraw/zinc/35/34/82/940353482.db2.gz XCXRTRFAPGCWNB-ZNMIVQPWSA-N 2 3 251.418 1.212 20 0 CDADHP C([C@@H]1CC[NH2+]C1)N1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235234268 944100778 /nfs/dbraw/zinc/10/07/78/944100778.db2.gz WYTPNESZHVLNSW-UKRRQHHQSA-N 2 3 251.418 1.450 20 0 CDADHP CC[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[NH2+]CC2)CCN1 ZINC001246097590 947950243 /nfs/dbraw/zinc/95/02/43/947950243.db2.gz ZCXRBMFQCCRYIC-QLFBSQMISA-N 2 3 253.434 1.886 20 0 CDADHP CC[NH+](CC)CC[C@H](C)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246138041 947982159 /nfs/dbraw/zinc/98/21/59/947982159.db2.gz ADJAXDKTXTVHND-HOTGVXAUSA-N 2 3 296.503 1.571 20 0 CDADHP CC[C@@H]1C[C@H](NC[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)C[C@H](CC)[NH2+]1 ZINC001246139824 947983223 /nfs/dbraw/zinc/98/32/23/947983223.db2.gz BVPJUSNSVSCXOS-HAEOWDPNSA-N 2 3 295.471 1.510 20 0 CDADHP N[C@H]1CCC[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246549426 948257179 /nfs/dbraw/zinc/25/71/79/948257179.db2.gz XDMISUFXPBRYOX-KBPBESRZSA-N 2 3 251.418 1.722 20 0 CDADHP N[C@H]1CCC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246549426 948257186 /nfs/dbraw/zinc/25/71/86/948257186.db2.gz XDMISUFXPBRYOX-KBPBESRZSA-N 2 3 251.418 1.722 20 0 CDADHP NC[C@@H]1CCCC[N@@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246580558 948309200 /nfs/dbraw/zinc/30/92/00/948309200.db2.gz HBJZWPOJASJCRL-JYJNAYRXSA-N 2 3 265.445 1.970 20 0 CDADHP NC[C@@H]1CCCC[N@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246580558 948309203 /nfs/dbraw/zinc/30/92/03/948309203.db2.gz HBJZWPOJASJCRL-JYJNAYRXSA-N 2 3 265.445 1.970 20 0 CDADHP CC(C)[C@@H]1C[C@@H](N2CC[C@H]3C[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001246625719 948362812 /nfs/dbraw/zinc/36/28/12/948362812.db2.gz SGRBBTMQRKLLMI-ZQDZILKHSA-N 2 3 251.418 1.447 20 0 CDADHP C[C@H]1C[C@H]([N@@H+]2CCC3(C2)CC[NH+](C)CC3)CCN1 ZINC001246843807 948471186 /nfs/dbraw/zinc/47/11/86/948471186.db2.gz WLZFMZVPHVZMLP-UONOGXRCSA-N 2 3 251.418 1.545 20 0 CDADHP C[C@H]1C[C@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)CCN1 ZINC001246843807 948471191 /nfs/dbraw/zinc/47/11/91/948471191.db2.gz WLZFMZVPHVZMLP-UONOGXRCSA-N 2 3 251.418 1.545 20 0 CDADHP [NH3+]C[C@H]1CN(CC2CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC000629559671 363004685 /nfs/dbraw/zinc/00/46/85/363004685.db2.gz BNCUDPITKCLHOR-NWDGAFQWSA-N 2 3 279.350 1.445 20 0 CDADHP C[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)CN1CCCC1 ZINC000422701264 295969517 /nfs/dbraw/zinc/96/95/17/295969517.db2.gz CZSYNFKJEMWNDK-NFOMZHRRSA-N 2 3 253.434 1.825 20 0 CDADHP CNC[C@](C)(O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000568889748 294121318 /nfs/dbraw/zinc/12/13/18/294121318.db2.gz FGFVPMFQSNMTBG-HNNXBMFYSA-N 2 3 271.449 1.009 20 0 CDADHP C[C@@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000422876658 245361878 /nfs/dbraw/zinc/36/18/78/245361878.db2.gz GOSVPYUMYPMJNQ-IXDOHACOSA-N 2 3 297.487 1.840 20 0 CDADHP C([C@@H]1CC[NH2+]C1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975066 391366060 /nfs/dbraw/zinc/36/60/60/391366060.db2.gz JMZSKJDKHBFZCE-KFWWJZLASA-N 2 3 251.418 1.308 20 0 CDADHP C[N@@H+]1CCC[C@H](N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000649414619 392201114 /nfs/dbraw/zinc/20/11/14/392201114.db2.gz MOXANCUPSDNZIR-SJORKVTESA-N 2 3 294.487 1.088 20 0 CDADHP C[N@H+]1CCC[C@H](N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000649414619 392201120 /nfs/dbraw/zinc/20/11/20/392201120.db2.gz MOXANCUPSDNZIR-SJORKVTESA-N 2 3 294.487 1.088 20 0 CDADHP CC[C@@H](NCC1CC[NH+](CCN(C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422741789 392255362 /nfs/dbraw/zinc/25/53/62/392255362.db2.gz OZSHOCZFTLMFSO-SJORKVTESA-N 2 3 296.503 1.380 20 0 CDADHP C([C@@H]1CCC[NH2+]C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656787029 413666778 /nfs/dbraw/zinc/66/67/78/413666778.db2.gz RKLQGQCWMJRNSY-GDBMZVCRSA-N 2 3 265.445 1.698 20 0 CDADHP CSC1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CC[NH+](C)CC1 ZINC000568651392 294078458 /nfs/dbraw/zinc/07/84/58/294078458.db2.gz SDEUSVGAWZYAFR-CHWSQXEVSA-N 2 3 271.474 1.673 20 0 CDADHP CNC[C@](C)(O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000568889748 294121314 /nfs/dbraw/zinc/12/13/14/294121314.db2.gz FGFVPMFQSNMTBG-HNNXBMFYSA-N 2 3 271.449 1.009 20 0 CDADHP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCNC3(CCC3)C2)CC[NH2+]1 ZINC000666993966 483038878 /nfs/dbraw/zinc/03/88/78/483038878.db2.gz XWLOGROKLPOSPX-MGPQQGTHSA-N 2 3 251.418 1.639 20 0 CDADHP CC[N@@H+]1CC[C@H](N(C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[C@H](C)C1 ZINC000903739044 626077296 /nfs/dbraw/zinc/07/72/96/626077296.db2.gz BFPXZBXYCAAPBR-QZWWFDLISA-N 2 3 295.471 1.417 20 0 CDADHP CC[N@H+]1CC[C@H](N(C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[C@H](C)C1 ZINC000903739044 626077297 /nfs/dbraw/zinc/07/72/97/626077297.db2.gz BFPXZBXYCAAPBR-QZWWFDLISA-N 2 3 295.471 1.417 20 0 CDADHP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925879282 848303998 /nfs/dbraw/zinc/30/39/98/848303998.db2.gz AFMHOFVINYXPAY-XZDPQHSOSA-N 2 3 265.445 1.872 20 0 CDADHP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925879281 848976590 /nfs/dbraw/zinc/97/65/90/848976590.db2.gz AFMHOFVINYXPAY-UKMLZYKCSA-N 2 3 265.445 1.872 20 0 CDADHP [NH2+]=C(NCCCC[NH3+])Nc1cccc(C2=NCCC2)c1 ZINC001167883792 901643186 /nfs/dbraw/zinc/64/31/86/901643186.db2.gz MQEYYVWMODRKPR-UHFFFAOYSA-N 2 3 273.384 1.945 20 0 CDADHP CN1CC[C@@H]2C[N@@H+](C3CCC([NH+](C)C)CC3)C[C@@H]2C1 ZINC001168318781 909002986 /nfs/dbraw/zinc/00/29/86/909002986.db2.gz GAIZFHHFQOADIP-QVOMUQBLSA-N 2 3 265.445 1.743 20 0 CDADHP CN1CC[C@@H]2C[N@H+](C3CCC([NH+](C)C)CC3)C[C@@H]2C1 ZINC001168318781 909003007 /nfs/dbraw/zinc/00/30/07/909003007.db2.gz GAIZFHHFQOADIP-QVOMUQBLSA-N 2 3 265.445 1.743 20 0 CDADHP COCCC[NH+]1CCC(N2CCC(C[NH+](C)C)CC2)CC1 ZINC001172255402 911536948 /nfs/dbraw/zinc/53/69/48/911536948.db2.gz QBIFVWNCTZHBCP-UHFFFAOYSA-N 2 3 297.487 1.761 20 0 CDADHP Cc1cc(C)nc(NCCC[NH2+]CCCC[NH3+])c1 ZINC001162289082 938972027 /nfs/dbraw/zinc/97/20/27/938972027.db2.gz GCLPNULQVILWLT-UHFFFAOYSA-N 2 3 250.390 1.829 20 0 CDADHP CCC[NH+]1C[C@H]2CN(CCC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001207487781 940206683 /nfs/dbraw/zinc/20/66/83/940206683.db2.gz RHYBIJNYTYRFCS-IRXDYDNUSA-N 2 3 279.472 1.992 20 0 CDADHP CC1(CN2CCC3(CCC[NH2+]3)CC2)CC[NH2+]CC1 ZINC001226784830 942070268 /nfs/dbraw/zinc/07/02/68/942070268.db2.gz OQTUCJGFUIFMCK-UHFFFAOYSA-N 2 3 251.418 1.594 20 0 CDADHP NC[C@H]1CCCC[C@@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001262162057 946480891 /nfs/dbraw/zinc/48/08/91/946480891.db2.gz CHVNNDAIWDJNKM-IWNKAIHXSA-N 2 3 251.418 1.624 20 0 CDADHP CC[NH+](CC)C1CCC([NH2+]C2CCNCC2)CC1 ZINC001246072956 947926495 /nfs/dbraw/zinc/92/64/95/947926495.db2.gz NQBNNMFJMFRPIG-UHFFFAOYSA-N 2 3 253.434 1.981 20 0 CDADHP C[C@H]1NCC[C@H]1[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246111216 947961591 /nfs/dbraw/zinc/96/15/91/947961591.db2.gz OOXZIYRVAWZKBQ-TZMCWYRMSA-N 2 3 251.418 1.639 20 0 CDADHP C[C@H]1CC[C@@H](NCC2CC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246129358 947975087 /nfs/dbraw/zinc/97/50/87/947975087.db2.gz WIYBAZCSLIPOLT-GXTWGEPZSA-N 2 3 251.418 1.496 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CCN1 ZINC001246140685 947985451 /nfs/dbraw/zinc/98/54/51/947985451.db2.gz BUNLDXYEDOJFOF-MRLBHPIUSA-N 2 3 251.418 1.352 20 0 CDADHP CC(C)[C@@H]1C[C@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]1 ZINC001246148365 947989174 /nfs/dbraw/zinc/98/91/74/947989174.db2.gz RPXZGUBOQBHVAJ-PMPSAXMXSA-N 2 3 294.487 1.227 20 0 CDADHP CCOC(=O)C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)C1CC[NH2+]CC1 ZINC001246225242 948040748 /nfs/dbraw/zinc/04/07/48/948040748.db2.gz DIZVXQIGYZCXOV-YUELXQCFSA-N 2 3 297.443 1.038 20 0 CDADHP COCCC[NH+]1CCC(N2CCC(C[NH3+])CC2)CC1 ZINC001246536618 948236758 /nfs/dbraw/zinc/23/67/58/948236758.db2.gz AAVAQEMWRHEJGG-UHFFFAOYSA-N 2 3 269.433 1.158 20 0 CDADHP C[C@@H]1[C@H](CN)CCC[N@@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246565230 948282444 /nfs/dbraw/zinc/28/24/44/948282444.db2.gz PFMLPUFWMWKJCS-QLFBSQMISA-N 2 3 265.445 1.968 20 0 CDADHP C[C@@H]1[C@H](CN)CCC[N@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246565230 948282455 /nfs/dbraw/zinc/28/24/55/948282455.db2.gz PFMLPUFWMWKJCS-QLFBSQMISA-N 2 3 265.445 1.968 20 0 CDADHP C1C[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)[C@@H]2CCNC[C@H]12 ZINC001246616744 948347439 /nfs/dbraw/zinc/34/74/39/948347439.db2.gz BGQQKIUWUNVWBH-SOUVJXGZSA-N 2 3 263.429 1.593 20 0 CDADHP C1C[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)[C@@H]2CCNC[C@H]12 ZINC001246616744 948347446 /nfs/dbraw/zinc/34/74/46/948347446.db2.gz BGQQKIUWUNVWBH-SOUVJXGZSA-N 2 3 263.429 1.593 20 0 CDADHP C[N@H+](C[C@@H]1CCCNC1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246839443 948470122 /nfs/dbraw/zinc/47/01/22/948470122.db2.gz BIRAACGKDQIXJY-CABCVRRESA-N 2 3 265.445 1.840 20 0 CDADHP C[N@@H+](C[C@@H]1CCCNC1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246839443 948470124 /nfs/dbraw/zinc/47/01/24/948470124.db2.gz BIRAACGKDQIXJY-CABCVRRESA-N 2 3 265.445 1.840 20 0 CDADHP C[C@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCOCC3)CC2)CCN1 ZINC001551381498 966592780 /nfs/dbraw/zinc/59/27/80/966592780.db2.gz WIUTYAIXIGJQGJ-SOEBMCCKSA-N 2 3 295.471 1.750 20 0 CDADHP CCN1CCN(CCC[NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000154327920 539050561 /nfs/dbraw/zinc/05/05/61/539050561.db2.gz SGSAVJAVMGFLRV-INIZCTEOSA-N 2 3 296.503 1.334 20 0 CDADHP CC[NH+]1CCC(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000250400585 539071240 /nfs/dbraw/zinc/07/12/40/539071240.db2.gz ZBVBRYMARWSWCU-CVEARBPZSA-N 2 3 265.445 1.935 20 0 CDADHP CC1(C)CNCC[C@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000634733780 358071639 /nfs/dbraw/zinc/07/16/39/358071639.db2.gz NQXRRVVOKLJFSK-RUXDESIVSA-N 2 3 253.434 1.872 20 0 CDADHP C[C@@H]1CCNCC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000422974608 359732024 /nfs/dbraw/zinc/73/20/24/359732024.db2.gz FOIBWMGQWPUAAF-OWCLPIDISA-N 2 3 283.460 1.201 20 0 CDADHP C[C@@H]1CCNCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000422974608 359732027 /nfs/dbraw/zinc/73/20/27/359732027.db2.gz FOIBWMGQWPUAAF-OWCLPIDISA-N 2 3 283.460 1.201 20 0 CDADHP [NH3+][C@H]1CCC[C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)C1 ZINC000635011419 360655277 /nfs/dbraw/zinc/65/52/77/360655277.db2.gz NQOYNEAHMGPCOZ-QWHCGFSZSA-N 2 3 275.400 1.173 20 0 CDADHP CC[NH+](CC)CCOCCN[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000349670667 360928876 /nfs/dbraw/zinc/92/88/76/360928876.db2.gz VITKJUKJRHNGNP-HZPDHXFCSA-N 2 3 285.476 1.665 20 0 CDADHP CC[NH+](CC)CCOCCN[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000349670667 360928880 /nfs/dbraw/zinc/92/88/80/360928880.db2.gz VITKJUKJRHNGNP-HZPDHXFCSA-N 2 3 285.476 1.665 20 0 CDADHP COC[C@@]1(CN[C@H](C)C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000643531866 361184352 /nfs/dbraw/zinc/18/43/52/361184352.db2.gz QRWZCUDKXCXKIV-HIFRSBDPSA-N 2 3 269.433 1.075 20 0 CDADHP C[C@@H](NC[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCCC[NH2+]1 ZINC000333323354 205217002 /nfs/dbraw/zinc/21/70/02/205217002.db2.gz UVZBGQBHGXPONK-KBUPBQIOSA-N 2 3 253.434 1.872 20 0 CDADHP C(CN1CCCC[C@H]1[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000420398568 376349335 /nfs/dbraw/zinc/34/93/35/376349335.db2.gz NGMKFPWLEJJBHY-JYJNAYRXSA-N 2 3 265.445 1.840 20 0 CDADHP CC(C)C[C@@H](N)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000414649983 391330345 /nfs/dbraw/zinc/33/03/45/391330345.db2.gz CQSLLHHYWYUCRW-HUUCEWRRSA-N 2 3 253.434 1.824 20 0 CDADHP NC[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)CC12CCOCC2 ZINC000647986588 391624824 /nfs/dbraw/zinc/62/48/24/391624824.db2.gz KRSWHRADJNIGMO-MRXNPFEDSA-N 2 3 295.471 1.454 20 0 CDADHP NC[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CC12CCOCC2 ZINC000647986588 391624828 /nfs/dbraw/zinc/62/48/28/391624828.db2.gz KRSWHRADJNIGMO-MRXNPFEDSA-N 2 3 295.471 1.454 20 0 CDADHP CC[NH+](CC)CCOCCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000349724465 279109359 /nfs/dbraw/zinc/10/93/59/279109359.db2.gz UNCSUOIROFSILM-GJZGRUSLSA-N 2 3 271.449 1.417 20 0 CDADHP CC[NH+](CC)CCOCCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000349724465 279109360 /nfs/dbraw/zinc/10/93/60/279109360.db2.gz UNCSUOIROFSILM-GJZGRUSLSA-N 2 3 271.449 1.417 20 0 CDADHP C([C@H]1CCCC[NH2+]C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000903749566 626071988 /nfs/dbraw/zinc/07/19/88/626071988.db2.gz LXMFHZFPXJEPIE-HOCLYGCPSA-N 2 3 265.445 1.698 20 0 CDADHP C([C@H]1CC[NH2+]C1)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923509743 706222079 /nfs/dbraw/zinc/22/20/79/706222079.db2.gz QISRBQWYZZKJLH-LSDHHAIUSA-N 2 3 265.445 1.698 20 0 CDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@@H]1CCC[N@H+](C)C1 ZINC000849041043 709822489 /nfs/dbraw/zinc/82/24/89/709822489.db2.gz INZAPTJLBUFZPE-LSDHHAIUSA-N 2 3 295.475 1.317 20 0 CDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000849041043 709822490 /nfs/dbraw/zinc/82/24/90/709822490.db2.gz INZAPTJLBUFZPE-LSDHHAIUSA-N 2 3 295.475 1.317 20 0 CDADHP C[C@@H]1CC[C@@H](CN)C[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001206760705 940086051 /nfs/dbraw/zinc/08/60/51/940086051.db2.gz KKURGMGNNMMUIQ-KGLIPLIRSA-N 2 3 265.445 1.825 20 0 CDADHP C[C@@H]1CC[C@@H](CN)C[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001206760705 940086054 /nfs/dbraw/zinc/08/60/54/940086054.db2.gz KKURGMGNNMMUIQ-KGLIPLIRSA-N 2 3 265.445 1.825 20 0 CDADHP CCCN1C[C@@H]2C[NH+](CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001207401155 940190285 /nfs/dbraw/zinc/19/02/85/940190285.db2.gz MNTYJPSGMALNIK-HZPDHXFCSA-N 2 3 265.445 1.602 20 0 CDADHP CCC[NH+]1C[C@@H]2CN(CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001207401155 940190286 /nfs/dbraw/zinc/19/02/86/940190286.db2.gz MNTYJPSGMALNIK-HZPDHXFCSA-N 2 3 265.445 1.602 20 0 CDADHP CCC[NH+]1C[C@@H]2CN(CCC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001207487780 940206971 /nfs/dbraw/zinc/20/69/71/940206971.db2.gz RHYBIJNYTYRFCS-IAGOWNOFSA-N 2 3 279.472 1.992 20 0 CDADHP C[C@@H]1CC[C@H](CN[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)[NH2+]C1 ZINC001246106284 947956520 /nfs/dbraw/zinc/95/65/20/947956520.db2.gz PEXCTYRTSWLDND-KLHDSHLOSA-N 2 3 265.445 1.886 20 0 CDADHP CC1(C)C[C@@H]([NH2+]CC2CC3(C2)CC[NH2+]CC3)CCN1 ZINC001246127383 947975894 /nfs/dbraw/zinc/97/58/94/947975894.db2.gz OUPFPTXUDFJZIG-AWEZNQCLSA-N 2 3 265.445 1.886 20 0 CDADHP CC(C)[C@@H]1C[C@H](N2CCC[C@@](F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246548913 948255844 /nfs/dbraw/zinc/25/58/44/948255844.db2.gz KWZCOHODFKJBEY-ILXRZTDVSA-N 2 3 271.424 1.916 20 0 CDADHP C1CN([C@H]2CCC[C@]3(CC[NH2+]C3)C2)[C@@]2(C1)CC[NH2+]C2 ZINC001246647121 948384041 /nfs/dbraw/zinc/38/40/41/948384041.db2.gz HUSMPXOPHCSDSX-JYJNAYRXSA-N 2 3 263.429 1.737 20 0 CDADHP C[N@H+](CCC1CC[NH2+]CC1)[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246795386 948444392 /nfs/dbraw/zinc/44/43/92/948444392.db2.gz JADZFGSIBYSBNE-ZSHCYNCHSA-N 2 3 265.445 1.981 20 0 CDADHP C[N@@H+](CCC1CC[NH2+]CC1)[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246795386 948444397 /nfs/dbraw/zinc/44/43/97/948444397.db2.gz JADZFGSIBYSBNE-ZSHCYNCHSA-N 2 3 265.445 1.981 20 0 CDADHP CC[C@@H]1CC([N@@H+]2C[C@@H]3CC[C@]3(N)C2)C[C@@H](CC)[NH2+]1 ZINC001246855054 948481394 /nfs/dbraw/zinc/48/13/94/948481394.db2.gz SFLHSSDLSTWPLW-JLNYLFASSA-N 2 3 251.418 1.719 20 0 CDADHP CC[C@@H]1CC([N@H+]2C[C@@H]3CC[C@]3(N)C2)C[C@@H](CC)[NH2+]1 ZINC001246855054 948481397 /nfs/dbraw/zinc/48/13/97/948481397.db2.gz SFLHSSDLSTWPLW-JLNYLFASSA-N 2 3 251.418 1.719 20 0 CDADHP CC1(N2CCOCC2)CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC001551379426 966591125 /nfs/dbraw/zinc/59/11/25/966591125.db2.gz KDRKNUANVASEMI-UHFFFAOYSA-N 2 3 295.471 1.879 20 0 CDADHP CCOC(=O)C1([C@@H](C)N[C@H]2CCC[NH2+]CC2)CC[NH2+]CC1 ZINC000591578348 342637856 /nfs/dbraw/zinc/63/78/56/342637856.db2.gz ULWOPKAMPLQZBT-KGLIPLIRSA-N 2 3 297.443 1.040 20 0 CDADHP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCCNCC2)CC[NH2+]CC1 ZINC000591578348 342637857 /nfs/dbraw/zinc/63/78/57/342637857.db2.gz ULWOPKAMPLQZBT-KGLIPLIRSA-N 2 3 297.443 1.040 20 0 CDADHP C[C@@H]1C[C@H](CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CC[NH2+]1 ZINC000414742263 366051262 /nfs/dbraw/zinc/05/12/62/366051262.db2.gz FXXMCKUDYNBWKV-WRQOLXDDSA-N 2 3 295.471 1.558 20 0 CDADHP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCNCC(C)(C)C2)CC[NH2+]1 ZINC000634733378 358072363 /nfs/dbraw/zinc/07/23/63/358072363.db2.gz DONXLDCQJOFRGB-HZSPNIEDSA-N 2 3 253.434 1.742 20 0 CDADHP CC(C)[C@H](C[NH3+])CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000634996470 360626196 /nfs/dbraw/zinc/62/61/96/360626196.db2.gz KULJWBBBNQNWOA-PMPSAXMXSA-N 2 3 283.460 1.436 20 0 CDADHP CC(C)[C@H](CN)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000634996470 360626204 /nfs/dbraw/zinc/62/62/04/360626204.db2.gz KULJWBBBNQNWOA-PMPSAXMXSA-N 2 3 283.460 1.436 20 0 CDADHP CN(CC[C@H]1CCC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420327055 244091797 /nfs/dbraw/zinc/09/17/97/244091797.db2.gz YINSJTXFRLEHOC-JKXDFHQYSA-N 2 3 251.418 1.591 20 0 CDADHP C[C@@H]1C[C@H](CN2CCC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC000414791653 297399638 /nfs/dbraw/zinc/39/96/38/297399638.db2.gz QQQJATHKKFEWDQ-KFWWJZLASA-N 2 3 251.418 1.450 20 0 CDADHP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCN(C2CC2)C1 ZINC000093452412 533370224 /nfs/dbraw/zinc/37/02/24/533370224.db2.gz LRYBRXFQUQNEGZ-QSPRXWTASA-N 2 3 277.456 1.981 20 0 CDADHP CC(C)[NH+]1CCC(O)(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339068437 391249429 /nfs/dbraw/zinc/24/94/29/391249429.db2.gz QGFGZYOBVABZCC-CVEARBPZSA-N 2 3 295.471 1.438 20 0 CDADHP CC(C)[NH+]1CCC(O)(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339068437 391249430 /nfs/dbraw/zinc/24/94/30/391249430.db2.gz QGFGZYOBVABZCC-CVEARBPZSA-N 2 3 295.471 1.438 20 0 CDADHP C([C@@H]1CCCNC1)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414775070 391377703 /nfs/dbraw/zinc/37/77/03/391377703.db2.gz GCKJXUROHWPTNE-QLFBSQMISA-N 2 3 251.418 1.308 20 0 CDADHP C([C@@H]1CCCNC1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414775070 391377705 /nfs/dbraw/zinc/37/77/05/391377705.db2.gz GCKJXUROHWPTNE-QLFBSQMISA-N 2 3 251.418 1.308 20 0 CDADHP CC[NH+](CC)CC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411565 392196360 /nfs/dbraw/zinc/19/63/60/392196360.db2.gz GPPDBHKPKKJPCV-OAHLLOKOSA-N 2 3 253.434 1.650 20 0 CDADHP N[C@H]1C[C@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc21 ZINC000423182974 392423331 /nfs/dbraw/zinc/42/33/31/392423331.db2.gz KRJRRUZAJMPFCN-HOTGVXAUSA-N 2 3 274.412 1.016 20 0 CDADHP C1=C(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC[NH2+]C1 ZINC000423359716 392541837 /nfs/dbraw/zinc/54/18/37/392541837.db2.gz VJHHBXMSWVQMNQ-OWCLPIDISA-N 2 3 263.429 1.807 20 0 CDADHP C[NH+](C)CCOCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000261569322 140350512 /nfs/dbraw/zinc/35/05/12/140350512.db2.gz MKPIOLODATYECJ-RRFJBIMHSA-N 2 3 269.433 1.075 20 0 CDADHP C[C@H]([NH2+][C@H]1CCCC[C@H]1CN)C1CC[NH+](C)CC1 ZINC000396442161 397894186 /nfs/dbraw/zinc/89/41/86/397894186.db2.gz ALQCIKCXESUXMC-QEJZJMRPSA-N 2 3 253.434 1.824 20 0 CDADHP C([NH2+][C@H]1CCCNCC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000665233762 413959065 /nfs/dbraw/zinc/95/90/65/413959065.db2.gz OTQLNNZKHXBIFX-INIZCTEOSA-N 2 3 295.471 1.609 20 0 CDADHP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CCN2C1 ZINC000401010092 424423285 /nfs/dbraw/zinc/42/32/85/424423285.db2.gz LVKTZTJRHLGXSH-AALSBFMBSA-N 2 3 263.429 1.591 20 0 CDADHP CCN(CC)CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401133660 424427355 /nfs/dbraw/zinc/42/73/55/424427355.db2.gz PIIRNPXBOUKPJU-SOUVJXGZSA-N 2 3 253.434 1.696 20 0 CDADHP c1cc2c(cc1C[N@H+]1CC[C@H]3C[NH2+]C[C@H]3CC1)CNCC2 ZINC000569010567 294142130 /nfs/dbraw/zinc/14/21/30/294142130.db2.gz PSCCPFPBXWNZTM-CALCHBBNSA-N 2 3 285.435 1.764 20 0 CDADHP c1cc2c(cc1C[N@@H+]1CC[C@H]3C[NH2+]C[C@H]3CC1)CNCC2 ZINC000569010567 294142132 /nfs/dbraw/zinc/14/21/32/294142132.db2.gz PSCCPFPBXWNZTM-CALCHBBNSA-N 2 3 285.435 1.764 20 0 CDADHP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCNC1 ZINC000583434869 325173601 /nfs/dbraw/zinc/17/36/01/325173601.db2.gz IOMMAUNWAMBZKM-VYDRJRHOSA-N 2 3 251.418 1.352 20 0 CDADHP C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)C1CC[NH+](C)CC1 ZINC000669618849 483212115 /nfs/dbraw/zinc/21/21/15/483212115.db2.gz HVYSZBJODSXDCD-OAHLLOKOSA-N 2 3 296.503 1.332 20 0 CDADHP CN1CCC[C@H](C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902351036 624714915 /nfs/dbraw/zinc/71/49/15/624714915.db2.gz VMBSWVPHSZAMQH-KGLIPLIRSA-N 2 3 253.434 1.696 20 0 CDADHP C[C@@]1(C[NH+]2CCC3(CC[NH2+]C3)CC2)CCCNC1 ZINC000904349540 626261252 /nfs/dbraw/zinc/26/12/52/626261252.db2.gz AEHNPQPPIZCURV-CQSZACIVSA-N 2 3 251.418 1.452 20 0 CDADHP C[C@@]1(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCCNC1 ZINC000904354917 626263640 /nfs/dbraw/zinc/26/36/40/626263640.db2.gz LJJHLRHVABEUJF-RBSFLKMASA-N 2 3 253.434 1.731 20 0 CDADHP C[C@@H]1C[C@H](C[N@@H+]2CC[C@]3(C2)CCCCN3)CC[NH2+]1 ZINC000904431422 626291517 /nfs/dbraw/zinc/29/15/17/626291517.db2.gz ZFBYAQTWPUQJDB-KFWWJZLASA-N 2 3 251.418 1.593 20 0 CDADHP C[C@@H]1C[C@H](C[N@H+]2CC[C@]3(C2)CCCCN3)CC[NH2+]1 ZINC000904431422 626291518 /nfs/dbraw/zinc/29/15/18/626291518.db2.gz ZFBYAQTWPUQJDB-KFWWJZLASA-N 2 3 251.418 1.593 20 0 CDADHP C[C@H](C[NH2+]CC1CC[NH+](C)CC1)CN1CCCC1 ZINC000062078963 912250308 /nfs/dbraw/zinc/25/03/08/912250308.db2.gz NCZFENNWZDFZOT-CQSZACIVSA-N 2 3 253.434 1.650 20 0 CDADHP CCCN(Cc1cccc(C[NH3+])c1)C[C@H]1CC[NH2+]C1 ZINC001236844487 916748189 /nfs/dbraw/zinc/74/81/89/916748189.db2.gz VGNZNECELKPESX-INIZCTEOSA-N 2 3 261.413 1.967 20 0 CDADHP C[C@@H]1C[N@H+](C[C@H](O)CNC(C)(C)C)CCC[C@@H]1C[NH3+] ZINC001246025872 930874736 /nfs/dbraw/zinc/87/47/36/930874736.db2.gz DHEHDHCECATWJG-MGPQQGTHSA-N 2 3 271.449 1.042 20 0 CDADHP C[C@@H]1C[N@@H+](C[C@H](O)CNC(C)(C)C)CCC[C@@H]1C[NH3+] ZINC001246025872 930874745 /nfs/dbraw/zinc/87/47/45/930874745.db2.gz DHEHDHCECATWJG-MGPQQGTHSA-N 2 3 271.449 1.042 20 0 CDADHP C[C@@H]1CN(C[C@H](O)C[NH2+]C(C)(C)C)CCC[C@@H]1C[NH3+] ZINC001246025872 930874755 /nfs/dbraw/zinc/87/47/55/930874755.db2.gz DHEHDHCECATWJG-MGPQQGTHSA-N 2 3 271.449 1.042 20 0 CDADHP CC(C)(C)[C@@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)CCN1 ZINC001246072112 930904483 /nfs/dbraw/zinc/90/44/83/930904483.db2.gz FKIGBNULCXQBKT-KGLIPLIRSA-N 2 3 253.434 1.742 20 0 CDADHP C[C@H]1CC[C@H](NCCCC2CC[NH+](C)CC2)C[NH2+]1 ZINC001246362436 931483669 /nfs/dbraw/zinc/48/36/69/931483669.db2.gz LHZKADJEPXONPK-ZFWWWQNUSA-N 2 3 253.434 1.839 20 0 CDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N(C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161060474 938867091 /nfs/dbraw/zinc/86/70/91/938867091.db2.gz BPGBLGIVUFZFFA-SOUVJXGZSA-N 2 3 298.475 1.210 20 0 CDADHP C[C@@]1([NH3+])C[C@H](Nc2cccc(N3CCC([NH3+])CC3)n2)C1 ZINC001162328535 939024354 /nfs/dbraw/zinc/02/43/54/939024354.db2.gz FHJXLGBWOCNIAL-JNSHFYNHSA-N 2 3 275.400 1.301 20 0 CDADHP C([C@H]1CCCNC1)[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235154844 944073367 /nfs/dbraw/zinc/07/33/67/944073367.db2.gz WOZUIDWZCWGPSH-HOCLYGCPSA-N 2 3 265.445 1.840 20 0 CDADHP C([C@H]1CCCNC1)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235154844 944073371 /nfs/dbraw/zinc/07/33/71/944073371.db2.gz WOZUIDWZCWGPSH-HOCLYGCPSA-N 2 3 265.445 1.840 20 0 CDADHP CCCC[C@@H]1C[C@H](N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC001246257038 948063150 /nfs/dbraw/zinc/06/31/50/948063150.db2.gz RBJSZBVSSJGJEW-WCXIOVBPSA-N 2 3 295.471 1.798 20 0 CDADHP CC[NH+](CC)CC[C@H](C)N1CCN(CCCC[NH3+])CC1 ZINC001255955349 948138397 /nfs/dbraw/zinc/13/83/97/948138397.db2.gz RHLXVBKTIBQHLD-INIZCTEOSA-N 2 3 284.492 1.463 20 0 CDADHP CC(C)[C@@H]1C[C@@H](N2CCC[C@@](F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246548914 948255561 /nfs/dbraw/zinc/25/55/61/948255561.db2.gz KWZCOHODFKJBEY-KKUMJFAQSA-N 2 3 271.424 1.916 20 0 CDADHP NC[C@@H]1CCCC[N@@H+](C2CCC3(C[NH2+]C3)CC2)C1 ZINC001246597648 948336009 /nfs/dbraw/zinc/33/60/09/948336009.db2.gz XZWBAFZMEALNMB-ZDUSSCGKSA-N 2 3 251.418 1.579 20 0 CDADHP NC[C@@H]1CCCC[N@H+](C2CCC3(C[NH2+]C3)CC2)C1 ZINC001246597648 948336019 /nfs/dbraw/zinc/33/60/19/948336019.db2.gz XZWBAFZMEALNMB-ZDUSSCGKSA-N 2 3 251.418 1.579 20 0 CDADHP C1[NH2+]CC12CCC([N@@H+]1CCC[C@]3(CCCNC3)C1)CC2 ZINC001246615989 948348458 /nfs/dbraw/zinc/34/84/58/948348458.db2.gz ZFSHXKDBUFQMKJ-KRWDZBQOSA-N 2 3 277.456 1.984 20 0 CDADHP C1[NH2+]CC12CCC([N@H+]1CCC[C@]3(CCCNC3)C1)CC2 ZINC001246615989 948348466 /nfs/dbraw/zinc/34/84/66/948348466.db2.gz ZFSHXKDBUFQMKJ-KRWDZBQOSA-N 2 3 277.456 1.984 20 0 CDADHP C1NCC12C[C@H]([NH+]1CCC([C@@H]3CCCC[NH2+]3)CC1)CCO2 ZINC001246656876 948393111 /nfs/dbraw/zinc/39/31/11/948393111.db2.gz OKUGGVHRQFGUAA-CVEARBPZSA-N 2 3 293.455 1.362 20 0 CDADHP CC(C)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCN1 ZINC001246931012 948527585 /nfs/dbraw/zinc/52/75/85/948527585.db2.gz MEDYOVNWQPYUGG-QXSJWSMHSA-N 2 3 265.445 1.694 20 0 CDADHP CC(C)[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCN1 ZINC001246931012 948527577 /nfs/dbraw/zinc/52/75/77/948527577.db2.gz MEDYOVNWQPYUGG-QXSJWSMHSA-N 2 3 265.445 1.694 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCOCC3)CC2)CCN1 ZINC001551381487 966593325 /nfs/dbraw/zinc/59/33/25/966593325.db2.gz WIUTYAIXIGJQGJ-GYXIZQIFSA-N 2 3 295.471 1.750 20 0 CDADHP CCOC(=O)C1([C@H](C)N[C@@H]2CCC[NH2+]CC2)CC[NH2+]CC1 ZINC000591578349 342637716 /nfs/dbraw/zinc/63/77/16/342637716.db2.gz ULWOPKAMPLQZBT-UONOGXRCSA-N 2 3 297.443 1.040 20 0 CDADHP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCNCC2)CC[NH2+]CC1 ZINC000591578349 342637717 /nfs/dbraw/zinc/63/77/17/342637717.db2.gz ULWOPKAMPLQZBT-UONOGXRCSA-N 2 3 297.443 1.040 20 0 CDADHP C(C[N@@H+]1CC[C@@]2(C1)CCCNC2)[C@H]1CCC[NH2+]C1 ZINC000335005464 539060423 /nfs/dbraw/zinc/06/04/23/539060423.db2.gz BDEUQYVFXLULIW-CABCVRRESA-N 2 3 251.418 1.452 20 0 CDADHP C(C[N@H+]1CC[C@@]2(C1)CCCNC2)[C@H]1CCC[NH2+]C1 ZINC000335005464 539060424 /nfs/dbraw/zinc/06/04/24/539060424.db2.gz BDEUQYVFXLULIW-CABCVRRESA-N 2 3 251.418 1.452 20 0 CDADHP CCN1CCN(CCC[NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000154328024 539050554 /nfs/dbraw/zinc/05/05/54/539050554.db2.gz SGSAVJAVMGFLRV-MRXNPFEDSA-N 2 3 296.503 1.334 20 0 CDADHP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCNCC1 ZINC000420306048 244055033 /nfs/dbraw/zinc/05/50/33/244055033.db2.gz HFSLJNSZDXNEEP-LSDHHAIUSA-N 2 3 253.434 1.840 20 0 CDADHP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCNCC1 ZINC000420306048 244055039 /nfs/dbraw/zinc/05/50/39/244055039.db2.gz HFSLJNSZDXNEEP-LSDHHAIUSA-N 2 3 253.434 1.840 20 0 CDADHP C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000422884954 245368728 /nfs/dbraw/zinc/36/87/28/245368728.db2.gz SUEUACQLBYTSKO-LTIDMASMSA-N 2 3 297.487 1.983 20 0 CDADHP C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000422884954 245368731 /nfs/dbraw/zinc/36/87/31/245368731.db2.gz SUEUACQLBYTSKO-LTIDMASMSA-N 2 3 297.487 1.983 20 0 CDADHP C(C[N@@H+]1CC[C@@H](CN2CCCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000420320435 376317440 /nfs/dbraw/zinc/31/74/40/376317440.db2.gz QFYUYJCEONKBQP-CVEARBPZSA-N 2 3 265.445 1.794 20 0 CDADHP C(C[N@H+]1CC[C@@H](CN2CCCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000420320435 376317442 /nfs/dbraw/zinc/31/74/42/376317442.db2.gz QFYUYJCEONKBQP-CVEARBPZSA-N 2 3 265.445 1.794 20 0 CDADHP C(CN1CC[C@@H](C[NH+]2CCCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000420320435 376317445 /nfs/dbraw/zinc/31/74/45/376317445.db2.gz QFYUYJCEONKBQP-CVEARBPZSA-N 2 3 265.445 1.794 20 0 CDADHP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000423034749 392289005 /nfs/dbraw/zinc/28/90/05/392289005.db2.gz QMQBWSUNYDXADH-PBHICJAKSA-N 2 3 291.439 1.470 20 0 CDADHP CC[C@H](NCC[C@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423277870 392484202 /nfs/dbraw/zinc/48/42/02/392484202.db2.gz QHGCDFJHYJIBTN-QLFBSQMISA-N 2 3 253.434 1.886 20 0 CDADHP COCC1(CN[C@@H](C)[C@@H]2CCCC[NH2+]2)CC[NH2+]CC1 ZINC000423409418 292246386 /nfs/dbraw/zinc/24/63/86/292246386.db2.gz PZWAPBJOPCBXFQ-KBPBESRZSA-N 2 3 269.433 1.123 20 0 CDADHP C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665299678 414042949 /nfs/dbraw/zinc/04/29/49/414042949.db2.gz RFIARPODWFSNIT-JQFCIGGWSA-N 2 3 295.471 1.450 20 0 CDADHP NC[C@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000423085522 295267414 /nfs/dbraw/zinc/26/74/14/295267414.db2.gz KCBNFQBLBBGYEZ-ZBFHGGJFSA-N 2 3 265.445 1.968 20 0 CDADHP NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333846008 303400594 /nfs/dbraw/zinc/40/05/94/303400594.db2.gz PDKOSOBWBQSNBR-LXFSFDBISA-N 2 3 251.418 1.482 20 0 CDADHP C[NH+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422810081 536033448 /nfs/dbraw/zinc/03/34/48/536033448.db2.gz RDFWPUDWZJDQPU-HZPDHXFCSA-N 2 3 261.413 1.965 20 0 CDADHP C[NH+](C)[C@H]1CC[C@@H]2[C@@H](C1)OCCN2CC1CC[NH+](C)CC1 ZINC000892232689 617567034 /nfs/dbraw/zinc/56/70/34/617567034.db2.gz AOSPFFZHACMOPB-GVDBMIGSSA-N 2 3 295.471 1.512 20 0 CDADHP C[C@@H](NC[C@@H]1CCCCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000902485080 624892963 /nfs/dbraw/zinc/89/29/63/624892963.db2.gz YUWFRPKIYMEICO-HIFRSBDPSA-N 2 3 253.434 1.839 20 0 CDADHP CN(C[C@H]1CC2(CO1)CC[NH2+]CC2)CC(C)(C)C[NH3+] ZINC000903717510 626062388 /nfs/dbraw/zinc/06/23/88/626062388.db2.gz QWPWRGBAJCMJCR-CYBMUJFWSA-N 2 3 269.433 1.062 20 0 CDADHP C[C@H](CC[NH2+][C@@H]1CC[C@@H](C[NH3+])C1)N1CCCCC1 ZINC001575966052 1171303917 /nfs/dbraw/zinc/30/39/17/1171303917.db2.gz CYFJNPBXKIWACW-RBSFLKMASA-N 2 3 253.434 1.968 20 0 CDADHP CN1CCCC[C@@H](C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001578528368 1171940535 /nfs/dbraw/zinc/94/05/35/1171940535.db2.gz HARJEGNAEIUYLL-HNSVSWJLSA-N 2 3 265.445 1.839 20 0 CDADHP c1c(C[NH2+]CC[C@H]2CC[NH2+]C2)sc2c1CNCC2 ZINC000873210575 1165523362 /nfs/dbraw/zinc/52/33/62/1165523362.db2.gz KRLWHWCVCNAJOT-LLVKDONJSA-N 2 3 265.426 1.483 20 0 CDADHP C[C@@H]1C[C@H]([NH2+]C2CCC3(CC[NH2+]C3)CC2)CCN1 ZINC001246216791 931220530 /nfs/dbraw/zinc/22/05/30/931220530.db2.gz ITKYYBUAVFGHQT-FEWQNLEASA-N 2 3 251.418 1.639 20 0 CDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NCC[C@H]1CCC[N@@H+]1C ZINC001220254828 941429749 /nfs/dbraw/zinc/42/97/49/941429749.db2.gz ZCZHFSNHEGMKOG-CABCVRRESA-N 2 3 298.475 1.083 20 0 CDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NCC[C@H]1CCC[N@H+]1C ZINC001220254828 941429751 /nfs/dbraw/zinc/42/97/51/941429751.db2.gz ZCZHFSNHEGMKOG-CABCVRRESA-N 2 3 298.475 1.083 20 0 CDADHP C(C[N@@H+]1CCC[C@]12CCCNC2)[C@H]1CCC[NH2+]C1 ZINC001222231092 941576206 /nfs/dbraw/zinc/57/62/06/941576206.db2.gz IZOWGIRHUWSWJS-CABCVRRESA-N 2 3 251.418 1.594 20 0 CDADHP C(C[N@H+]1CCC[C@]12CCCNC2)[C@H]1CCC[NH2+]C1 ZINC001222231092 941576209 /nfs/dbraw/zinc/57/62/09/941576209.db2.gz IZOWGIRHUWSWJS-CABCVRRESA-N 2 3 251.418 1.594 20 0 CDADHP C(C[N@@H+]1CCC[C@@]12CCCNC2)C1CC[NH2+]CC1 ZINC001222232551 941576531 /nfs/dbraw/zinc/57/65/31/941576531.db2.gz VZQCSMLJEVNMRL-OAHLLOKOSA-N 2 3 251.418 1.594 20 0 CDADHP C(C[N@H+]1CCC[C@@]12CCCNC2)C1CC[NH2+]CC1 ZINC001222232551 941576534 /nfs/dbraw/zinc/57/65/34/941576534.db2.gz VZQCSMLJEVNMRL-OAHLLOKOSA-N 2 3 251.418 1.594 20 0 CDADHP CC1(C[N@@H+]2CCC[C@]3(CCCNC3)C2)CC[NH2+]CC1 ZINC001222259706 941579899 /nfs/dbraw/zinc/57/98/99/941579899.db2.gz XPVUOZGIHQKBTF-INIZCTEOSA-N 2 3 265.445 1.842 20 0 CDADHP CC1(C[N@H+]2CCC[C@]3(CCCNC3)C2)CC[NH2+]CC1 ZINC001222259706 941579901 /nfs/dbraw/zinc/57/99/01/941579901.db2.gz XPVUOZGIHQKBTF-INIZCTEOSA-N 2 3 265.445 1.842 20 0 CDADHP CC1(C[N@@H+]2CC[C@]3(C2)CNCC[C@@H]3F)CC[NH2+]CC1 ZINC001235407008 944146224 /nfs/dbraw/zinc/14/62/24/944146224.db2.gz SBSSTBFYVBQLQT-DZGCQCFKSA-N 2 3 269.408 1.400 20 0 CDADHP CC1(C[N@H+]2CC[C@]3(C2)CNCC[C@@H]3F)CC[NH2+]CC1 ZINC001235407008 944146227 /nfs/dbraw/zinc/14/62/27/944146227.db2.gz SBSSTBFYVBQLQT-DZGCQCFKSA-N 2 3 269.408 1.400 20 0 CDADHP [NH3+]CCCC[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236373211 944486575 /nfs/dbraw/zinc/48/65/75/944486575.db2.gz UWDITNIXUJLUQR-AWEZNQCLSA-N 2 3 253.434 1.970 20 0 CDADHP [NH3+]CCCC[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236373211 944486578 /nfs/dbraw/zinc/48/65/78/944486578.db2.gz UWDITNIXUJLUQR-AWEZNQCLSA-N 2 3 253.434 1.970 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]CC2)C[C@H](C)N1 ZINC001246093065 947941292 /nfs/dbraw/zinc/94/12/92/947941292.db2.gz GTPJLULWBWQMNQ-XGUBFFRZSA-N 2 3 253.434 1.885 20 0 CDADHP C1[C@@H]2CNC[C@H]1[C@H]2[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246148470 947989039 /nfs/dbraw/zinc/98/90/39/947989039.db2.gz NPEHSAVDPJANOL-NHAGDIPZSA-N 2 3 263.429 1.496 20 0 CDADHP C1C[NH2+]CC2(C1)CCC([NH2+][C@@H]1[C@H]3CNC[C@@H]1COC3)CC2 ZINC001246153502 947994252 /nfs/dbraw/zinc/99/42/52/947994252.db2.gz YLVAZGZSNRLGJV-BDYLLLIDSA-N 2 3 293.455 1.123 20 0 CDADHP CCOC(=O)C[C@H]([NH2+][C@@H]1CCN[C@@H](C)C1)C1CC[NH2+]CC1 ZINC001246225236 948039766 /nfs/dbraw/zinc/03/97/66/948039766.db2.gz DIZVXQIGYZCXOV-CFVMTHIKSA-N 2 3 297.443 1.038 20 0 CDADHP CC1(C)C[C@@H]([NH2+]C2CCNCC2)C[C@@](C)(C[NH3+])C1 ZINC001246245246 948052529 /nfs/dbraw/zinc/05/25/29/948052529.db2.gz QAJFQWDJJLVTNT-UKRRQHHQSA-N 2 3 253.434 1.872 20 0 CDADHP C1[NH2+]CC12C[C@@H]([NH2+]C1CCN(C3CCCC3)CC1)CCN2 ZINC001246327127 948107342 /nfs/dbraw/zinc/10/73/42/948107342.db2.gz YLQIEELBYWTHKC-HNNXBMFYSA-N 2 3 292.471 1.077 20 0 CDADHP C[C@@H]1C[C@H]([NH2+]CCCC2CC[NH+](C)CC2)CCN1 ZINC001246357790 948130300 /nfs/dbraw/zinc/13/03/00/948130300.db2.gz ANBUAAVEEIRIQW-UKRRQHHQSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCN1 ZINC001246364564 948136655 /nfs/dbraw/zinc/13/66/55/948136655.db2.gz IDTDDIHRNBHXPG-ZBFHGGJFSA-N 2 3 295.471 1.608 20 0 CDADHP C[C@@H]1CC[C@@H](NCC2(CC3CC3)CC[NH2+]CC2)C[NH2+]1 ZINC001246383717 948145489 /nfs/dbraw/zinc/14/54/89/948145489.db2.gz ILUHNCDRAYZDMC-UKRRQHHQSA-N 2 3 265.445 1.886 20 0 CDADHP C[C@]1(CN[C@@H]2CCC3(C2)CC[NH2+]CC3)CCC[NH2+]1 ZINC001246457283 948182937 /nfs/dbraw/zinc/18/29/37/948182937.db2.gz RPJHZBKPBNXJEM-ZIAGYGMSSA-N 2 3 251.418 1.640 20 0 CDADHP CCCC[C@H]1C[C@H](N2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246596716 948332569 /nfs/dbraw/zinc/33/25/69/948332569.db2.gz QLHWCWMGVGYTRZ-JKSUJKDBSA-N 2 3 294.487 1.325 20 0 CDADHP C1[NH2+]CC12CCC([N@@H+]1CCC[C@@]13CCCNC3)CC2 ZINC001246609656 948343163 /nfs/dbraw/zinc/34/31/63/948343163.db2.gz MFZDPAPOZFRCPI-MRXNPFEDSA-N 2 3 263.429 1.737 20 0 CDADHP C1[NH2+]CC12CCC([N@H+]1CCC[C@@]13CCCNC3)CC2 ZINC001246609656 948343169 /nfs/dbraw/zinc/34/31/69/948343169.db2.gz MFZDPAPOZFRCPI-MRXNPFEDSA-N 2 3 263.429 1.737 20 0 CDADHP C1[NH2+]CC12CCC(N1CCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246609656 948343177 /nfs/dbraw/zinc/34/31/77/948343177.db2.gz MFZDPAPOZFRCPI-MRXNPFEDSA-N 2 3 263.429 1.737 20 0 CDADHP C[C@@H]1C[C@@H]([N@@H+]2CCC3(C2)CC[NH+](C)CC3)CCN1 ZINC001246843803 948471906 /nfs/dbraw/zinc/47/19/06/948471906.db2.gz WLZFMZVPHVZMLP-KGLIPLIRSA-N 2 3 251.418 1.545 20 0 CDADHP C[C@@H]1C[C@@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)CCN1 ZINC001246843803 948471908 /nfs/dbraw/zinc/47/19/08/948471908.db2.gz WLZFMZVPHVZMLP-KGLIPLIRSA-N 2 3 251.418 1.545 20 0 CDADHP C1C[NH2+]CC2(C1)CCC(N1CCC[NH2+]CCC1)CC2 ZINC001246909049 948514562 /nfs/dbraw/zinc/51/45/62/948514562.db2.gz YWZPRLFDOFMZHA-UHFFFAOYSA-N 2 3 265.445 1.984 20 0 CDADHP C1CC2(C1)C[C@H]([N@H+]1C[C@@H]3CC[NH2+]CC[C@@H]3C1)CCN2 ZINC001246934265 948529645 /nfs/dbraw/zinc/52/96/45/948529645.db2.gz TWIUQLBQDOEUEM-QLFBSQMISA-N 2 3 263.429 1.593 20 0 CDADHP C1CC2(C1)C[C@H]([N@@H+]1C[C@@H]3CC[NH2+]CC[C@@H]3C1)CCN2 ZINC001246934265 948529648 /nfs/dbraw/zinc/52/96/48/948529648.db2.gz TWIUQLBQDOEUEM-QLFBSQMISA-N 2 3 263.429 1.593 20 0 CDADHP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CCN1 ZINC001246972821 948550595 /nfs/dbraw/zinc/55/05/95/948550595.db2.gz FOIRBKFQBZOOSY-ZQNQSHIBSA-N 2 3 265.445 1.822 20 0 CDADHP CC(C)(C)[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CCN1 ZINC001246972821 948550600 /nfs/dbraw/zinc/55/06/00/948550600.db2.gz FOIRBKFQBZOOSY-ZQNQSHIBSA-N 2 3 265.445 1.822 20 0 CDADHP CCC1(N2CCC2)CC[NH+](CC2CC([NH3+])C2)CC1 ZINC001550704795 966159405 /nfs/dbraw/zinc/15/94/05/966159405.db2.gz TUPWEICLWBVMBP-UHFFFAOYSA-N 2 3 251.418 1.674 20 0 CDADHP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCCC[C@H]2N)CC1 ZINC000422961406 282099785 /nfs/dbraw/zinc/09/97/85/282099785.db2.gz BSPYULDVQNMRBX-CVEARBPZSA-N 2 3 282.476 1.262 20 0 CDADHP N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000582127462 360077253 /nfs/dbraw/zinc/07/72/53/360077253.db2.gz VZEZQKQLZJGNTK-HZPDHXFCSA-N 2 3 259.397 1.692 20 0 CDADHP [NH3+]CC1CCC(Nc2cc(N3CCNCC3)cc[nH+]2)CC1 ZINC000635007275 360643395 /nfs/dbraw/zinc/64/33/95/360643395.db2.gz AQFOSWBOYSLXCJ-UHFFFAOYSA-N 2 3 289.427 1.421 20 0 CDADHP C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000581256134 372903095 /nfs/dbraw/zinc/90/30/95/372903095.db2.gz NHAWOCAAFNNNJW-OCCSQVGLSA-N 2 3 259.397 1.501 20 0 CDADHP CCN(CC)C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178982061 391362785 /nfs/dbraw/zinc/36/27/85/391362785.db2.gz NJSXJJATZMOLFY-HNNXBMFYSA-N 2 3 253.434 1.650 20 0 CDADHP CCN(CC)C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178982061 391362787 /nfs/dbraw/zinc/36/27/87/391362787.db2.gz NJSXJJATZMOLFY-HNNXBMFYSA-N 2 3 253.434 1.650 20 0 CDADHP C[C@@H](C[NH3+])CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423296530 392494467 /nfs/dbraw/zinc/49/44/67/392494467.db2.gz HEDGEJIHKDSWDX-KBPBESRZSA-N 2 3 279.428 1.872 20 0 CDADHP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC1=CC[NH2+]CC1 ZINC000423361573 392541895 /nfs/dbraw/zinc/54/18/95/392541895.db2.gz XEMQTFUPUGOUHJ-DZGCQCFKSA-N 2 3 251.418 1.807 20 0 CDADHP C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423167392 287030450 /nfs/dbraw/zinc/03/04/50/287030450.db2.gz FAVORTUMQOAKAT-KFWWJZLASA-N 2 3 253.434 1.839 20 0 CDADHP C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423167392 287030452 /nfs/dbraw/zinc/03/04/52/287030452.db2.gz FAVORTUMQOAKAT-KFWWJZLASA-N 2 3 253.434 1.839 20 0 CDADHP [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc2c(c1)C[NH2+]CC2 ZINC000656786788 413666763 /nfs/dbraw/zinc/66/67/63/413666763.db2.gz QMRDEZSVVJMQJN-ZBFHGGJFSA-N 2 3 259.397 1.549 20 0 CDADHP N[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000665233743 413956421 /nfs/dbraw/zinc/95/64/21/413956421.db2.gz OGEUBTNDMBTRSD-HZPDHXFCSA-N 2 3 295.471 1.737 20 0 CDADHP C[NH+](C)CCOc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000563944749 316401451 /nfs/dbraw/zinc/40/14/51/316401451.db2.gz UOXWLUPLZLMAGL-JKSUJKDBSA-N 2 3 291.439 1.987 20 0 CDADHP C([NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)C1CC[NH2+]CC1 ZINC000925688708 617682564 /nfs/dbraw/zinc/68/25/64/617682564.db2.gz DBBXNPROJFTEQI-HZPDHXFCSA-N 2 3 265.445 1.744 20 0 CDADHP CCC1([NH3+])CCN([C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000903948972 626163979 /nfs/dbraw/zinc/16/39/79/626163979.db2.gz WXIIQVZXAIKVMP-MELADBBJSA-N 2 3 251.418 1.578 20 0 CDADHP C[NH+](C)CCOC1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904316876 626248126 /nfs/dbraw/zinc/24/81/26/626248126.db2.gz AIAKUJNFLRTEET-INIZCTEOSA-N 2 3 283.460 1.419 20 0 CDADHP C[C@H](C[C@H](C)[NH3+])NCc1cc2c(s1)CC[NH2+]C2 ZINC000873213754 1165523029 /nfs/dbraw/zinc/52/30/29/1165523029.db2.gz OSOKJLIYYFZSDY-VHSXEESVSA-N 2 3 253.415 1.609 20 0 CDADHP C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292192 1165537485 /nfs/dbraw/zinc/53/74/85/1165537485.db2.gz PADUCBHQTCCPHL-BZUAXINKSA-N 2 3 293.455 1.362 20 0 CDADHP C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292192 1165537490 /nfs/dbraw/zinc/53/74/90/1165537490.db2.gz PADUCBHQTCCPHL-BZUAXINKSA-N 2 3 293.455 1.362 20 0 CDADHP C(C[N@H+](C[C@@H]1CCCNC1)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236584501 915751035 /nfs/dbraw/zinc/75/10/35/915751035.db2.gz FRMOMWFTCBAIEX-LSDHHAIUSA-N 2 3 265.445 1.840 20 0 CDADHP C(C[N@@H+](C[C@@H]1CCCNC1)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236584501 915751052 /nfs/dbraw/zinc/75/10/52/915751052.db2.gz FRMOMWFTCBAIEX-LSDHHAIUSA-N 2 3 265.445 1.840 20 0 CDADHP C[C@@H]1CC([N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)C[C@@H](C)N1 ZINC001246563500 931792195 /nfs/dbraw/zinc/79/21/95/931792195.db2.gz XGRRZEBSNMOLML-AAVRWANBSA-N 2 3 253.434 1.822 20 0 CDADHP C[C@@H]1CC([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)C[C@@H](C)N1 ZINC001246563500 931792197 /nfs/dbraw/zinc/79/21/97/931792197.db2.gz XGRRZEBSNMOLML-AAVRWANBSA-N 2 3 253.434 1.822 20 0 CDADHP C[C@@H]1C[C@@H](CNc2cccc(N3CCC([NH3+])CC3)n2)C[NH2+]1 ZINC001155102247 937635376 /nfs/dbraw/zinc/63/53/76/937635376.db2.gz WDECTMZYMKFROM-CHWSQXEVSA-N 2 3 289.427 1.419 20 0 CDADHP c1c2cnccc2[nH]c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236322417 944469128 /nfs/dbraw/zinc/46/91/28/944469128.db2.gz WFATZFDWOFJKGJ-BETUJISGSA-N 2 3 270.380 1.994 20 0 CDADHP c1c2cnccc2[nH]c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236322417 944469129 /nfs/dbraw/zinc/46/91/29/944469129.db2.gz WFATZFDWOFJKGJ-BETUJISGSA-N 2 3 270.380 1.994 20 0 CDADHP C[C@H]1CC[C@@H](C[NH2+]C2CCC(N3CCOCC3)CC2)C[NH2+]1 ZINC001246095481 947947170 /nfs/dbraw/zinc/94/71/70/947947170.db2.gz KFLVGCNQLQSQFJ-NJINODPHSA-N 2 3 295.471 1.608 20 0 CDADHP C[C@@H]1CC([NH2+]C[C@@H]2CCC[NH2+]C[C@@H]2C)C[C@@H](C)N1 ZINC001246096816 947947343 /nfs/dbraw/zinc/94/73/43/947947343.db2.gz LSGWTPIVWONKPT-DGAVXFQQSA-N 2 3 253.434 1.741 20 0 CDADHP c1cc2n(c1)C[C@H](CCN[C@H]1CCCC[NH2+]C1)C[NH2+]C2 ZINC001246136150 947981029 /nfs/dbraw/zinc/98/10/29/947981029.db2.gz CMBXTFIHPRMXGF-CABCVRRESA-N 2 3 276.428 1.329 20 0 CDADHP CN1C(C)(C)CC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1(C)C ZINC001246287188 948079738 /nfs/dbraw/zinc/07/97/38/948079738.db2.gz JHMAMPITQDRXNS-CYBMUJFWSA-N 2 3 294.487 1.321 20 0 CDADHP c1cncc(CC2(C[NH2+]C3CCNCC3)CC[NH2+]CC2)c1 ZINC001246421730 948167341 /nfs/dbraw/zinc/16/73/41/948167341.db2.gz OITLULONEFZGTG-UHFFFAOYSA-N 2 3 288.439 1.336 20 0 CDADHP C[C@]1(CN[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCC[NH2+]1 ZINC001246457840 948184320 /nfs/dbraw/zinc/18/43/20/948184320.db2.gz VOQVSWJCAAFEOS-RBSFLKMASA-N 2 3 251.418 1.640 20 0 CDADHP CC1(C)C[C@H]([N@@H+]2CCC[C@@](C)(C[NH3+])CC2)CCN1 ZINC001246573968 948297071 /nfs/dbraw/zinc/29/70/71/948297071.db2.gz HDBKZYFBHYQCTO-UKRRQHHQSA-N 2 3 253.434 1.968 20 0 CDADHP CC1(C)C[C@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CCN1 ZINC001246573968 948297077 /nfs/dbraw/zinc/29/70/77/948297077.db2.gz HDBKZYFBHYQCTO-UKRRQHHQSA-N 2 3 253.434 1.968 20 0 CDADHP C[NH+](C)CCCCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256677526 948387030 /nfs/dbraw/zinc/38/70/30/948387030.db2.gz DYLVFLYEAGUDTE-UHFFFAOYSA-N 2 3 297.487 1.951 20 0 CDADHP CCCC[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)CCN1 ZINC001246676726 948400935 /nfs/dbraw/zinc/40/09/35/948400935.db2.gz FXKADPKQLUJXCK-FVQBIDKESA-N 2 3 265.445 1.839 20 0 CDADHP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@H](C3C[NH2+]C3)C2)CCN1 ZINC001246676726 948400939 /nfs/dbraw/zinc/40/09/39/948400939.db2.gz FXKADPKQLUJXCK-FVQBIDKESA-N 2 3 265.445 1.839 20 0 CDADHP CC(C)CN1CCC([NH2+]CCSCC[NH3+])CC1 ZINC001258004059 948677238 /nfs/dbraw/zinc/67/72/38/948677238.db2.gz AMUDSOCOIUMXBJ-UHFFFAOYSA-N 2 3 259.463 1.388 20 0 CDADHP CC(C)C[NH+]1CCC(NCCSCC[NH3+])CC1 ZINC001258004059 948677242 /nfs/dbraw/zinc/67/72/42/948677242.db2.gz AMUDSOCOIUMXBJ-UHFFFAOYSA-N 2 3 259.463 1.388 20 0 CDADHP C[C@H](CC[NH2+][C@@H]1CC[C@H](C[NH3+])C1)N1CCCCC1 ZINC001575966050 1171304700 /nfs/dbraw/zinc/30/47/00/1171304700.db2.gz CYFJNPBXKIWACW-QLFBSQMISA-N 2 3 253.434 1.968 20 0 CDADHP [NH3+]C[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)CC[C@@H]1C(F)(F)F ZINC000629565491 363010905 /nfs/dbraw/zinc/01/09/05/363010905.db2.gz VZFGVGKMGGOQSR-XQQFMLRXSA-N 2 3 293.377 1.835 20 0 CDADHP N[C@@H]1CCC[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000569987746 363270153 /nfs/dbraw/zinc/27/01/53/363270153.db2.gz FRPIROHFZAOUCA-QLFBSQMISA-N 2 3 269.433 1.083 20 0 CDADHP N[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000569987746 363270154 /nfs/dbraw/zinc/27/01/54/363270154.db2.gz FRPIROHFZAOUCA-QLFBSQMISA-N 2 3 269.433 1.083 20 0 CDADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000422981173 359696690 /nfs/dbraw/zinc/69/66/90/359696690.db2.gz SASKJZIZPPFXDH-XHSDSOJGSA-N 2 3 283.460 1.330 20 0 CDADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000422981173 359696692 /nfs/dbraw/zinc/69/66/92/359696692.db2.gz SASKJZIZPPFXDH-XHSDSOJGSA-N 2 3 283.460 1.330 20 0 CDADHP C(C[N@@H+]1CC[C@@H](CN2CCCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000420320436 376317380 /nfs/dbraw/zinc/31/73/80/376317380.db2.gz QFYUYJCEONKBQP-HOTGVXAUSA-N 2 3 265.445 1.794 20 0 CDADHP C(C[N@H+]1CC[C@@H](CN2CCCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000420320436 376317383 /nfs/dbraw/zinc/31/73/83/376317383.db2.gz QFYUYJCEONKBQP-HOTGVXAUSA-N 2 3 265.445 1.794 20 0 CDADHP C(CN1CC[C@@H](C[NH+]2CCCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000420320436 376317386 /nfs/dbraw/zinc/31/73/86/376317386.db2.gz QFYUYJCEONKBQP-HOTGVXAUSA-N 2 3 265.445 1.794 20 0 CDADHP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000246867152 377005602 /nfs/dbraw/zinc/00/56/02/377005602.db2.gz DEWXOPRTWZZNDY-DLBZAZTESA-N 2 3 296.503 1.476 20 0 CDADHP CC[C@@H](NCC1CC[NH+](CC)CC1)[C@@H]1CCC[NH2+]1 ZINC000572147736 377726353 /nfs/dbraw/zinc/72/63/53/377726353.db2.gz BHFSLEVQUXHMFN-CABCVRRESA-N 2 3 253.434 1.839 20 0 CDADHP CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)[C@@H]1CCCN1 ZINC000572147736 377726359 /nfs/dbraw/zinc/72/63/59/377726359.db2.gz BHFSLEVQUXHMFN-CABCVRRESA-N 2 3 253.434 1.839 20 0 CDADHP CN1CCC[C@@H]2C[N@H+](CC3CC[NH2+]CC3)CC[C@@H]21 ZINC000167563734 391841139 /nfs/dbraw/zinc/84/11/39/391841139.db2.gz DDJBCKVQVCPNQV-CABCVRRESA-N 2 3 251.418 1.402 20 0 CDADHP CN1CCC[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CC[C@@H]21 ZINC000167563734 391841141 /nfs/dbraw/zinc/84/11/41/391841141.db2.gz DDJBCKVQVCPNQV-CABCVRRESA-N 2 3 251.418 1.402 20 0 CDADHP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CC[NH2+]C[C@H]2C)C[C@@H]1CN ZINC000663496750 423889712 /nfs/dbraw/zinc/88/97/12/423889712.db2.gz JAUMJMSRCVDOPU-MRLBHPIUSA-N 2 3 253.434 1.537 20 0 CDADHP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC[NH2+]C[C@H]2C)C[C@@H]1CN ZINC000663496750 423889723 /nfs/dbraw/zinc/88/97/23/423889723.db2.gz JAUMJMSRCVDOPU-MRLBHPIUSA-N 2 3 253.434 1.537 20 0 CDADHP C[NH+](C)C1CCC([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000423276927 282049393 /nfs/dbraw/zinc/04/93/93/282049393.db2.gz NPOZAJAFFVYQQG-VXGQWTEUSA-N 2 3 253.434 1.966 20 0 CDADHP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CC1CC[NH2+]CC1 ZINC000261944935 289323106 /nfs/dbraw/zinc/32/31/06/289323106.db2.gz NFSWYBMPJUSYFX-BZUAXINKSA-N 2 3 281.444 1.170 20 0 CDADHP C(CN1CC[C@@]2(CC[NH2+]C2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923332276 678070843 /nfs/dbraw/zinc/07/08/43/678070843.db2.gz RHTJUIMGPFFJOR-WTXIUTQJSA-N 2 3 263.429 1.593 20 0 CDADHP C[NH+](C)C1CCC([NH2+]C[C@]2(C)CCCNC2)CC1 ZINC000817966505 677917271 /nfs/dbraw/zinc/91/72/71/677917271.db2.gz PEGZOFLLLAWVGO-YMAMQOFZSA-N 2 3 253.434 1.839 20 0 CDADHP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000226345192 678376255 /nfs/dbraw/zinc/37/62/55/678376255.db2.gz BTALBQBVOVUJLN-ZIAGYGMSSA-N 2 3 253.434 1.825 20 0 CDADHP [NH3+]C[C@@H]1CCC[C@@H]1NCc1cc2c(s1)CC[NH2+]C2 ZINC000873210589 679378934 /nfs/dbraw/zinc/37/89/34/679378934.db2.gz LHHWDCHKNISHLG-GWCFXTLKSA-N 2 3 265.426 1.611 20 0 CDADHP C[C@H]1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C[NH3+] ZINC000923375053 679390925 /nfs/dbraw/zinc/39/09/25/679390925.db2.gz GRJHWPHJZFJIEQ-KHEOEIQESA-N 2 3 265.445 1.824 20 0 CDADHP C[C@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1CN ZINC000923375053 679390927 /nfs/dbraw/zinc/39/09/27/679390927.db2.gz GRJHWPHJZFJIEQ-KHEOEIQESA-N 2 3 265.445 1.824 20 0 CDADHP C[C@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1CN ZINC000923375053 679390929 /nfs/dbraw/zinc/39/09/29/679390929.db2.gz GRJHWPHJZFJIEQ-KHEOEIQESA-N 2 3 265.445 1.824 20 0 CDADHP CC[C@@H]1C[C@H]([NH2+]CCCC2CC[NH2+]CC2)CCN1 ZINC001246103336 931015867 /nfs/dbraw/zinc/01/58/67/931015867.db2.gz HNISWAZBJYWAJR-HUUCEWRRSA-N 2 3 253.434 1.886 20 0 CDADHP C(C[N@@H+]1CCCC[C@]12CCCNC2)C1CC[NH2+]CC1 ZINC001235169432 944076990 /nfs/dbraw/zinc/07/69/90/944076990.db2.gz AQNOGSFYAWNUPU-MRXNPFEDSA-N 2 3 265.445 1.984 20 0 CDADHP C(C[N@H+]1CCCC[C@]12CCCNC2)C1CC[NH2+]CC1 ZINC001235169432 944076992 /nfs/dbraw/zinc/07/69/92/944076992.db2.gz AQNOGSFYAWNUPU-MRXNPFEDSA-N 2 3 265.445 1.984 20 0 CDADHP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CNCC12CC2 ZINC001246134660 947981006 /nfs/dbraw/zinc/98/10/06/947981006.db2.gz RNNJICNTLBPSMV-KGLIPLIRSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@@H]1C[C@H]([NH2+]CC[C@H]2C[NH2+]Cc3cccn3C2)CCN1 ZINC001246143151 947986676 /nfs/dbraw/zinc/98/66/76/947986676.db2.gz UAYSCPSXIBQURS-QLFBSQMISA-N 2 3 276.428 1.328 20 0 CDADHP C[C@H]1CC([NH2+]C[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)C[C@H](C)N1 ZINC001246148021 947989644 /nfs/dbraw/zinc/98/96/44/947989644.db2.gz OPOPEHXFMJUHGE-JAAXMTQOSA-N 2 3 265.445 1.741 20 0 CDADHP C[C@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)CCN1 ZINC001246273781 948072951 /nfs/dbraw/zinc/07/29/51/948072951.db2.gz VLALYOSGQWYPMV-LSDHHAIUSA-N 2 3 253.434 1.983 20 0 CDADHP CCCC[C@H]1C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)CCN1 ZINC001246460928 948187027 /nfs/dbraw/zinc/18/70/27/948187027.db2.gz AWRCJBYRJQFUJZ-ILXRZTDVSA-N 2 3 253.434 1.886 20 0 CDADHP CC1(C)C[C@@H]([N@@H+]2CCC[C@](C)(C[NH3+])CC2)CCN1 ZINC001246573969 948296116 /nfs/dbraw/zinc/29/61/16/948296116.db2.gz HDBKZYFBHYQCTO-ZFWWWQNUSA-N 2 3 253.434 1.968 20 0 CDADHP CC1(C)C[C@@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)CCN1 ZINC001246573969 948296123 /nfs/dbraw/zinc/29/61/23/948296123.db2.gz HDBKZYFBHYQCTO-ZFWWWQNUSA-N 2 3 253.434 1.968 20 0 CDADHP NC[C@H]1CCCC[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246591930 948325936 /nfs/dbraw/zinc/32/59/36/948325936.db2.gz JWWDFKMBINKXDV-CABCVRRESA-N 2 3 265.445 1.970 20 0 CDADHP NC[C@H]1CCCC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246591930 948325944 /nfs/dbraw/zinc/32/59/44/948325944.db2.gz JWWDFKMBINKXDV-CABCVRRESA-N 2 3 265.445 1.970 20 0 CDADHP CC[C@@H]1C[C@@H]([N@H+](C)CCC2CC[NH2+]CC2)CCN1 ZINC001246793251 948441828 /nfs/dbraw/zinc/44/18/28/948441828.db2.gz BYAIEZDRDINIGE-CABCVRRESA-N 2 3 253.434 1.839 20 0 CDADHP CC[C@@H]1C[C@@H]([N@@H+](C)CCC2CC[NH2+]CC2)CCN1 ZINC001246793251 948441834 /nfs/dbraw/zinc/44/18/34/948441834.db2.gz BYAIEZDRDINIGE-CABCVRRESA-N 2 3 253.434 1.839 20 0 CDADHP CC(C)[C@@H]1C[C@H](N2C[C@H]3CC[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC001246843382 948471457 /nfs/dbraw/zinc/47/14/57/948471457.db2.gz GCKBLZOOIUTQDD-BARDWOONSA-N 2 3 251.418 1.304 20 0 CDADHP C[NH+]1CCC(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000250639202 366081553 /nfs/dbraw/zinc/08/15/53/366081553.db2.gz SRGKNCOCHGGKTD-CABCVRRESA-N 2 3 251.418 1.545 20 0 CDADHP C[C@@H]([NH3+])C[C@H](C)NCc1cccc(OCC[NH+](C)C)c1 ZINC000422896869 245381465 /nfs/dbraw/zinc/38/14/65/245381465.db2.gz IUTNJFRNWJJVGM-KGLIPLIRSA-N 2 3 279.428 1.842 20 0 CDADHP CC[NH+]1CCC(CN[C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000386416971 373380399 /nfs/dbraw/zinc/38/03/99/373380399.db2.gz JOOPGAZWXLJSIL-DZGCQCFKSA-N 2 3 253.434 1.839 20 0 CDADHP CCN(CC)C[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420325787 376339380 /nfs/dbraw/zinc/33/93/80/376339380.db2.gz WSXMYNPTOAICRB-HUUCEWRRSA-N 2 3 253.434 1.650 20 0 CDADHP CCN(CC)C[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420325787 376339384 /nfs/dbraw/zinc/33/93/84/376339384.db2.gz WSXMYNPTOAICRB-HUUCEWRRSA-N 2 3 253.434 1.650 20 0 CDADHP CC[NH+](CC)C[C@H]1CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000420325787 376339387 /nfs/dbraw/zinc/33/93/87/376339387.db2.gz WSXMYNPTOAICRB-HUUCEWRRSA-N 2 3 253.434 1.650 20 0 CDADHP C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000647508939 390975214 /nfs/dbraw/zinc/97/52/14/390975214.db2.gz ANAHVLDBLBYYNU-GDBMZVCRSA-N 2 3 291.439 1.796 20 0 CDADHP C[NH2+]C[C@@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000647822262 391809371 /nfs/dbraw/zinc/80/93/71/391809371.db2.gz LGHBVOVWJAKUJB-HNNXBMFYSA-N 2 3 253.434 1.698 20 0 CDADHP [NH3+]CCC1CC[NH+](Cc2cccc3c2CCNC3)CC1 ZINC000662284904 423905476 /nfs/dbraw/zinc/90/54/76/423905476.db2.gz QLONTLBWJJJECZ-UHFFFAOYSA-N 2 3 273.424 1.893 20 0 CDADHP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CCN2C1 ZINC000401010095 424423316 /nfs/dbraw/zinc/42/33/16/424423316.db2.gz LVKTZTJRHLGXSH-UYJHQMFVSA-N 2 3 263.429 1.591 20 0 CDADHP CCC[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCNCC1 ZINC000903740698 626079235 /nfs/dbraw/zinc/07/92/35/626079235.db2.gz JWACBWXQXVMXCA-INIZCTEOSA-N 2 3 295.471 1.609 20 0 CDADHP CCC[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCNCC1 ZINC000903740698 626079237 /nfs/dbraw/zinc/07/92/37/626079237.db2.gz JWACBWXQXVMXCA-INIZCTEOSA-N 2 3 295.471 1.609 20 0 CDADHP CCCN(C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC[NH2+]CC1 ZINC000903740698 626079240 /nfs/dbraw/zinc/07/92/40/626079240.db2.gz JWACBWXQXVMXCA-INIZCTEOSA-N 2 3 295.471 1.609 20 0 CDADHP CN(C)[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000715508788 679778813 /nfs/dbraw/zinc/77/88/13/679778813.db2.gz LCKFKIWJSNKSSU-GJZGRUSLSA-N 2 3 253.434 1.791 20 0 CDADHP [NH3+][C@@H]1CCC[C@H](NCc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873213005 679837657 /nfs/dbraw/zinc/83/76/57/679837657.db2.gz UHVRDFZOVUCQEN-NEPJUHHUSA-N 2 3 265.426 1.753 20 0 CDADHP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294805 682073381 /nfs/dbraw/zinc/07/33/81/682073381.db2.gz UFIGPDGFUBHPMR-IXXDHKBRSA-N 2 3 279.428 1.018 20 0 CDADHP C[C@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1[NH3+] ZINC000923292529 683476234 /nfs/dbraw/zinc/47/62/34/683476234.db2.gz ZAEDJUQRULQAIJ-LUGNKYPNSA-N 2 3 251.418 1.576 20 0 CDADHP CN1CCN(c2ccc(NC(=[NH2+])SCC[NH3+])cc2)CC1 ZINC001167915058 902175417 /nfs/dbraw/zinc/17/54/17/902175417.db2.gz QOHRFKOHHUVMGC-UHFFFAOYSA-N 2 3 293.440 1.477 20 0 CDADHP [NH3+]CCCCN1CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168368308 910226121 /nfs/dbraw/zinc/22/61/21/910226121.db2.gz HJBMAPKUQZFSPE-UHFFFAOYSA-N 2 3 294.487 1.217 20 0 CDADHP CC[NH+](CC)Cc1cc(OC)ccc1N[C@H](N)CCC[NH3+] ZINC001170902918 930708093 /nfs/dbraw/zinc/70/80/93/930708093.db2.gz HJGCAWOXXJKRAL-INIZCTEOSA-N 2 3 294.443 1.973 20 0 CDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC[C@@H](C[NH3+])[C@H]1C ZINC001157845636 938554473 /nfs/dbraw/zinc/55/44/73/938554473.db2.gz DZENAESDWYOOIF-ILXRZTDVSA-N 2 3 298.475 1.068 20 0 CDADHP [NH3+]C1CCN(c2cccc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@@H]43)n2)CC1 ZINC001162797376 939144517 /nfs/dbraw/zinc/14/45/17/939144517.db2.gz MLULWCQQCDUQRH-AEGPPILISA-N 2 3 299.422 1.195 20 0 CDADHP C[C@H]1[C@H](CN)CCC[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001205903705 939954175 /nfs/dbraw/zinc/95/41/75/939954175.db2.gz QTWBIWCBVXMDDV-ZFWWWQNUSA-N 2 3 265.445 1.825 20 0 CDADHP C[C@H]1[C@H](CN)CCC[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001205903705 939954178 /nfs/dbraw/zinc/95/41/78/939954178.db2.gz QTWBIWCBVXMDDV-ZFWWWQNUSA-N 2 3 265.445 1.825 20 0 CDADHP C[C@@]1(C[NH3+])CCCN(Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC001206317912 940017458 /nfs/dbraw/zinc/01/74/58/940017458.db2.gz KNFWBUAFGCDWHM-OAHLLOKOSA-N 2 3 294.468 1.740 20 0 CDADHP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001246112575 947963403 /nfs/dbraw/zinc/96/34/03/947963403.db2.gz RLCJRGLXPHKSHJ-NJINODPHSA-N 2 3 295.471 1.608 20 0 CDADHP C[C@H]1CC([NH2+]CC2CC3(C2)CC[NH2+]CC3)C[C@H](C)N1 ZINC001246126491 947972258 /nfs/dbraw/zinc/97/22/58/947972258.db2.gz LNPKHXIBZYIUAI-STQMWFEESA-N 2 3 265.445 1.885 20 0 CDADHP C[C@@H]1CC[C@@H](NCC2CC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246129361 947975175 /nfs/dbraw/zinc/97/51/75/947975175.db2.gz WIYBAZCSLIPOLT-TZMCWYRMSA-N 2 3 251.418 1.496 20 0 CDADHP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)CCN1 ZINC001246146424 947989126 /nfs/dbraw/zinc/98/91/26/947989126.db2.gz UBZVDTAALWJWAO-LEOABGAYSA-N 2 3 279.472 1.988 20 0 CDADHP C[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)CCN1 ZINC001246273780 948071520 /nfs/dbraw/zinc/07/15/20/948071520.db2.gz VLALYOSGQWYPMV-HUUCEWRRSA-N 2 3 253.434 1.983 20 0 CDADHP C[C@@H]1C[C@@H](NCCNCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001246405376 948158648 /nfs/dbraw/zinc/15/86/48/948158648.db2.gz NYSSZUXCPJANSQ-WBVHZDCISA-N 2 3 290.455 1.177 20 0 CDADHP C[C@@H]1C[C@@H](NCCNCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001246405376 948158651 /nfs/dbraw/zinc/15/86/51/948158651.db2.gz NYSSZUXCPJANSQ-WBVHZDCISA-N 2 3 290.455 1.177 20 0 CDADHP CCN(CC)CC[C@@H](C)[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246475431 948195056 /nfs/dbraw/zinc/19/50/56/948195056.db2.gz FNZSNYMODULPFL-RDBSUJKOSA-N 2 3 259.413 1.644 20 0 CDADHP C[C@@H]1[C@@H](CN)CCC[N@@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246567695 948284805 /nfs/dbraw/zinc/28/48/05/948284805.db2.gz XOSVJBFEQUBKJO-WXLSXGNJSA-N 2 3 265.445 1.968 20 0 CDADHP C[C@@H]1[C@@H](CN)CCC[N@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246567695 948284813 /nfs/dbraw/zinc/28/48/13/948284813.db2.gz XOSVJBFEQUBKJO-WXLSXGNJSA-N 2 3 265.445 1.968 20 0 CDADHP C1CC2(C[NH2+]1)CCC([N@@H+]1CC[C@]3(C1)CCCNC3)CC2 ZINC001246611710 948346110 /nfs/dbraw/zinc/34/61/10/948346110.db2.gz VHYCLYDYJLRHIP-OFLPRAFFSA-N 2 3 277.456 1.984 20 0 CDADHP C1CC2(C[NH2+]1)CCC([N@H+]1CC[C@]3(C1)CCCNC3)CC2 ZINC001246611710 948346120 /nfs/dbraw/zinc/34/61/20/948346120.db2.gz VHYCLYDYJLRHIP-OFLPRAFFSA-N 2 3 277.456 1.984 20 0 CDADHP F[C@@H]1CCNC[C@@]12CC[N@@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246693827 948407229 /nfs/dbraw/zinc/40/72/29/948407229.db2.gz QUGGBOLUTYLKQD-ZMSDIMECSA-N 2 3 295.446 1.932 20 0 CDADHP F[C@@H]1CCNC[C@@]12CC[N@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246693827 948407233 /nfs/dbraw/zinc/40/72/33/948407233.db2.gz QUGGBOLUTYLKQD-ZMSDIMECSA-N 2 3 295.446 1.932 20 0 CDADHP C[N@H+](CCC1CC[NH2+]CC1)[C@H]1CCNC(C)(C)C1 ZINC001246793218 948441298 /nfs/dbraw/zinc/44/12/98/948441298.db2.gz BLHUDCFIVDMERZ-AWEZNQCLSA-N 2 3 253.434 1.839 20 0 CDADHP C[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCNC(C)(C)C1 ZINC001246793218 948441306 /nfs/dbraw/zinc/44/13/06/948441306.db2.gz BLHUDCFIVDMERZ-AWEZNQCLSA-N 2 3 253.434 1.839 20 0 CDADHP C1[C@H]2CCNC[C@H]2C[N@@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246848877 948476665 /nfs/dbraw/zinc/47/66/65/948476665.db2.gz XBOCCQYXXYFOAI-XNIRIUNOSA-N 2 3 277.456 1.840 20 0 CDADHP C1[C@H]2CCNC[C@H]2C[N@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246848877 948476670 /nfs/dbraw/zinc/47/66/70/948476670.db2.gz XBOCCQYXXYFOAI-XNIRIUNOSA-N 2 3 277.456 1.840 20 0 CDADHP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CCN1 ZINC001246972818 948551046 /nfs/dbraw/zinc/55/10/46/948551046.db2.gz FOIRBKFQBZOOSY-JARUQAPTSA-N 2 3 265.445 1.822 20 0 CDADHP CC(C)(C)[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CCN1 ZINC001246972818 948551051 /nfs/dbraw/zinc/55/10/51/948551051.db2.gz FOIRBKFQBZOOSY-JARUQAPTSA-N 2 3 265.445 1.822 20 0 CDADHP COCC[N@H+](C)CCCNCc1cccc2c1CC[NH2+]C2 ZINC001579025410 1172082740 /nfs/dbraw/zinc/08/27/40/1172082740.db2.gz FYZRSQYRWQIVHO-UHFFFAOYSA-N 2 3 291.439 1.390 20 0 CDADHP COCC[N@@H+](C)CCCNCc1cccc2c1CC[NH2+]C2 ZINC001579025410 1172082746 /nfs/dbraw/zinc/08/27/46/1172082746.db2.gz FYZRSQYRWQIVHO-UHFFFAOYSA-N 2 3 291.439 1.390 20 0 CDADHP C[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CC[NH+](C)CC1 ZINC000643545774 356004960 /nfs/dbraw/zinc/00/49/60/356004960.db2.gz CDVHNRJTHXUEGL-UKRRQHHQSA-N 2 3 265.445 1.981 20 0 CDADHP CC[NH+](CC)CCOCCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000349667247 360928300 /nfs/dbraw/zinc/92/83/00/360928300.db2.gz PFWXUGYVZFWJLP-BZUAXINKSA-N 2 3 285.476 1.663 20 0 CDADHP CC[NH+](CC)CCOCCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000349667247 360928305 /nfs/dbraw/zinc/92/83/05/360928305.db2.gz PFWXUGYVZFWJLP-BZUAXINKSA-N 2 3 285.476 1.663 20 0 CDADHP C[C@@H]1C[C@H](CN2CCC[C@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC000414791657 366882817 /nfs/dbraw/zinc/88/28/17/366882817.db2.gz QQQJATHKKFEWDQ-RBSFLKMASA-N 2 3 251.418 1.450 20 0 CDADHP C[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C[NH3+] ZINC000630076526 367302742 /nfs/dbraw/zinc/30/27/42/367302742.db2.gz JYKBZYLIWOMREB-WBMJQRKESA-N 2 3 259.397 1.359 20 0 CDADHP C(CN1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC000334991312 391993178 /nfs/dbraw/zinc/99/31/78/391993178.db2.gz DCENOQRPBIMODP-HUUCEWRRSA-N 2 3 251.418 1.452 20 0 CDADHP C[C@@]1(CN2CCC[C@H](C3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000656783789 413654152 /nfs/dbraw/zinc/65/41/52/413654152.db2.gz UJFQEIKDSWQEPT-JKSUJKDBSA-N 2 3 265.445 1.698 20 0 CDADHP C(O[C@H]1CC[NH2+]C1)C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000530238289 271176801 /nfs/dbraw/zinc/17/68/01/271176801.db2.gz MFMIMPZSYGURPS-HOTGVXAUSA-N 2 3 281.444 1.077 20 0 CDADHP C(O[C@H]1CC[NH2+]C1)C1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000530238289 271176804 /nfs/dbraw/zinc/17/68/04/271176804.db2.gz MFMIMPZSYGURPS-HOTGVXAUSA-N 2 3 281.444 1.077 20 0 CDADHP N[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000521463042 281075070 /nfs/dbraw/zinc/07/50/70/281075070.db2.gz WHFMUKYMYZQFPU-ZIAGYGMSSA-N 2 3 251.418 1.720 20 0 CDADHP CN(C)CC[N@H+](C)CCCN(C)CC[C@H]1CCC[NH+]1C ZINC000344033892 289132214 /nfs/dbraw/zinc/13/22/14/289132214.db2.gz GBEFWYOKBNXOFZ-MRXNPFEDSA-N 2 3 284.492 1.286 20 0 CDADHP CN(C)CC[N@@H+](C)CCCN(C)CC[C@H]1CCC[NH+]1C ZINC000344033892 289132215 /nfs/dbraw/zinc/13/22/15/289132215.db2.gz GBEFWYOKBNXOFZ-MRXNPFEDSA-N 2 3 284.492 1.286 20 0 CDADHP CN(C)CC[NH+](C)CCCN(C)CC[C@H]1CCC[N@@H+]1C ZINC000344033892 289132216 /nfs/dbraw/zinc/13/22/16/289132216.db2.gz GBEFWYOKBNXOFZ-MRXNPFEDSA-N 2 3 284.492 1.286 20 0 CDADHP CN(C)CC[NH+](C)CCCN(C)CC[C@H]1CCC[N@H+]1C ZINC000344033892 289132217 /nfs/dbraw/zinc/13/22/17/289132217.db2.gz GBEFWYOKBNXOFZ-MRXNPFEDSA-N 2 3 284.492 1.286 20 0 CDADHP NC[C@@H]1CCC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000423129192 295255883 /nfs/dbraw/zinc/25/58/83/295255883.db2.gz DZYZSDLIWSONOR-GJZGRUSLSA-N 2 3 253.434 1.970 20 0 CDADHP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000583806647 325243888 /nfs/dbraw/zinc/24/38/88/325243888.db2.gz LWNWHFDLRHQZRS-BVPBIZIASA-N 2 3 287.451 1.923 20 0 CDADHP C[C@@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000583806650 325243952 /nfs/dbraw/zinc/24/39/52/325243952.db2.gz LWNWHFDLRHQZRS-XFKAJCMBSA-N 2 3 287.451 1.923 20 0 CDADHP C[C@H]([NH2+]CCCN1CCCN(C)CC1)C1CC[NH+](C)CC1 ZINC000128675480 538691752 /nfs/dbraw/zinc/69/17/52/538691752.db2.gz HNFDWPGACVTISO-INIZCTEOSA-N 2 3 296.503 1.334 20 0 CDADHP [NH3+][C@@H]1CCC[C@@H]2CN(C[C@H]3CCCC[NH2+]C3)C[C@@H]21 ZINC000903744310 626080796 /nfs/dbraw/zinc/08/07/96/626080796.db2.gz QWCDJJYRCBUHTN-LJISPDSOSA-N 2 3 251.418 1.435 20 0 CDADHP CC(C)(N)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904415886 626287053 /nfs/dbraw/zinc/28/70/53/626287053.db2.gz CJTBSKUUILJXQL-CYBMUJFWSA-N 2 3 253.434 1.825 20 0 CDADHP [NH3+]C[C@H]1CCC[C@@H]1NCc1cc2c(s1)CC[NH2+]C2 ZINC000873210591 685439801 /nfs/dbraw/zinc/43/98/01/685439801.db2.gz LHHWDCHKNISHLG-MFKMUULPSA-N 2 3 265.426 1.611 20 0 CDADHP [NH2+]=C(NCCCC[NH3+])Nc1ccnc(N2CCCCC2)c1 ZINC001167877689 901599619 /nfs/dbraw/zinc/59/96/19/901599619.db2.gz AFBQTLHPTLQFEU-UHFFFAOYSA-N 2 3 290.415 1.747 20 0 CDADHP CC1(C)C[C@H]([NH2+]CCCC2CC[NH2+]CC2)CCN1 ZINC001246107602 931039293 /nfs/dbraw/zinc/03/92/93/931039293.db2.gz SLTSRVQKFRERST-CQSZACIVSA-N 2 3 253.434 1.886 20 0 CDADHP CCOC(=O)[C@H]1CCC[C@@H](NCCC[NH2+]CCCC[NH3+])C1 ZINC001246456595 931499810 /nfs/dbraw/zinc/49/98/10/931499810.db2.gz JSORISNGQQRWTB-LSDHHAIUSA-N 2 3 299.459 1.417 20 0 CDADHP CCCC[C@@H]1C[C@@H](NC[C@@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CC[NH2+]1 ZINC001246137524 947982832 /nfs/dbraw/zinc/98/28/32/947982832.db2.gz ZGDPFSMYQNPHLL-OWYFMNJBSA-N 2 3 281.444 1.264 20 0 CDADHP CC[C@@H]1C[C@@H](N2CCC[C@](O)(C[NH3+])CC2)C[C@H](CC)[NH2+]1 ZINC001246546036 948252639 /nfs/dbraw/zinc/25/26/39/948252639.db2.gz XVZJHKDUCSWTCM-QKPAOTATSA-N 2 3 283.460 1.471 20 0 CDADHP C[C@@H]1CC[N@@H+]([C@H]2CCNC(C)(C)C2)CC[C@@H]1C[NH3+] ZINC001246556938 948266936 /nfs/dbraw/zinc/26/69/36/948266936.db2.gz ILRDGNJNQKOHOK-MCIONIFRSA-N 2 3 253.434 1.824 20 0 CDADHP C[C@@H]1CC[N@H+]([C@H]2CCNC(C)(C)C2)CC[C@@H]1C[NH3+] ZINC001246556938 948266943 /nfs/dbraw/zinc/26/69/43/948266943.db2.gz ILRDGNJNQKOHOK-MCIONIFRSA-N 2 3 253.434 1.824 20 0 CDADHP CC(C)(C)[C@H]1C[C@H](N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CC[NH2+]1 ZINC001246631863 948366968 /nfs/dbraw/zinc/36/69/68/948366968.db2.gz UAHOLFNRGFSXBG-KLHDSHLOSA-N 2 3 295.471 1.463 20 0 CDADHP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CCN1 ZINC001246641962 948378990 /nfs/dbraw/zinc/37/89/90/948378990.db2.gz ALSZSOKQPKIVAK-VNQPRFMTSA-N 2 3 265.445 1.981 20 0 CDADHP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CCN1 ZINC001246641962 948378996 /nfs/dbraw/zinc/37/89/96/948378996.db2.gz ALSZSOKQPKIVAK-VNQPRFMTSA-N 2 3 265.445 1.981 20 0 CDADHP F[C@@H]1CCNC[C@]12CC[N@@H+]([C@@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246695846 948406048 /nfs/dbraw/zinc/40/60/48/948406048.db2.gz SVZJMCWUFBUYFR-VQHPVUNQSA-N 2 3 295.446 1.932 20 0 CDADHP F[C@@H]1CCNC[C@]12CC[N@H+]([C@@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246695846 948406053 /nfs/dbraw/zinc/40/60/53/948406053.db2.gz SVZJMCWUFBUYFR-VQHPVUNQSA-N 2 3 295.446 1.932 20 0 CDADHP [NH3+]CC1CCC(C[NH2+][C@H]2CCNC23CCC3)CC1 ZINC001553024675 964488849 /nfs/dbraw/zinc/48/88/49/964488849.db2.gz NKSNFHWAWUUOER-RUXDESIVSA-N 2 3 251.418 1.626 20 0 CDADHP C[C@@H]1C[C@H]([NH2+]C2CC(C[NH3+])(c3ccccc3)C2)CCN1 ZINC001550944237 966296220 /nfs/dbraw/zinc/29/62/20/966296220.db2.gz LJGYLDMAWBKCMQ-PMRDFSHISA-N 2 3 273.424 1.776 20 0 CDADHP C[C@@H]1C[C@H](NC2CC(C[NH3+])(c3ccccc3)C2)CC[NH2+]1 ZINC001550944237 966296229 /nfs/dbraw/zinc/29/62/29/966296229.db2.gz LJGYLDMAWBKCMQ-PMRDFSHISA-N 2 3 273.424 1.776 20 0 CDADHP C[C@@H](NC1CC(C[NH3+])(c2ccccc2)C1)C1C[NH2+]C1 ZINC001550944525 966297587 /nfs/dbraw/zinc/29/75/87/966297587.db2.gz NZLKJWIMTBBWAD-UWTIGNOOSA-N 2 3 259.397 1.243 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C[C@H]3CCC[NH2+]C3)C2)C1 ZINC000650707349 398152874 /nfs/dbraw/zinc/15/28/74/398152874.db2.gz DDKYGWMTQUETEG-JJXSEGSLSA-N 2 3 281.444 1.204 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C[C@H]3CCCNC3)C2)C1 ZINC000650707349 398152877 /nfs/dbraw/zinc/15/28/77/398152877.db2.gz DDKYGWMTQUETEG-JJXSEGSLSA-N 2 3 281.444 1.204 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@H]3CCCNC3)C2)C1 ZINC000650707349 398152883 /nfs/dbraw/zinc/15/28/83/398152883.db2.gz DDKYGWMTQUETEG-JJXSEGSLSA-N 2 3 281.444 1.204 20 0 CDADHP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](CN)[C@@H](C)C[C@@H]2C)CC[NH2+]1 ZINC000422560124 359643041 /nfs/dbraw/zinc/64/30/41/359643041.db2.gz FRNJSHGQSMUFNM-ZQNQSHIBSA-N 2 3 253.434 1.680 20 0 CDADHP C[C@@H]1C[C@H](C[N@H+]2C[C@H](CN)[C@@H](C)C[C@@H]2C)CC[NH2+]1 ZINC000422560124 359643048 /nfs/dbraw/zinc/64/30/48/359643048.db2.gz FRNJSHGQSMUFNM-ZQNQSHIBSA-N 2 3 253.434 1.680 20 0 CDADHP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000423429816 359783274 /nfs/dbraw/zinc/78/32/74/359783274.db2.gz STGJOYRULMQELP-VGWMRTNUSA-N 2 3 265.445 1.968 20 0 CDADHP [NH3+]C[C@H]1CCC[C@@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635012874 360657947 /nfs/dbraw/zinc/65/79/47/360657947.db2.gz WMOOZPWUGBGHAU-OCCSQVGLSA-N 2 3 275.400 1.031 20 0 CDADHP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](CN)C3(C2)CCOCC3)CC[NH2+]1 ZINC000520582118 361545047 /nfs/dbraw/zinc/54/50/47/361545047.db2.gz OYDGYXHYCVPQKU-KFWWJZLASA-N 2 3 281.444 1.062 20 0 CDADHP C[C@@H]1C[C@H](C[N@H+]2C[C@H](CN)C3(C2)CCOCC3)CC[NH2+]1 ZINC000520582118 361545050 /nfs/dbraw/zinc/54/50/50/361545050.db2.gz OYDGYXHYCVPQKU-KFWWJZLASA-N 2 3 281.444 1.062 20 0 CDADHP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCNC1 ZINC000576099237 317073750 /nfs/dbraw/zinc/07/37/50/317073750.db2.gz ODGXFYJALBLHFH-RRFJBIMHSA-N 2 3 253.434 1.696 20 0 CDADHP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCNC1 ZINC000576099237 317073753 /nfs/dbraw/zinc/07/37/53/317073753.db2.gz ODGXFYJALBLHFH-RRFJBIMHSA-N 2 3 253.434 1.696 20 0 CDADHP CN(CC[C@@H]1CC[NH2+]C1)CC[C@H]1CCCC[N@@H+]1C ZINC000420324869 244088160 /nfs/dbraw/zinc/08/81/60/244088160.db2.gz VMKDMQQGXYLHOF-LSDHHAIUSA-N 2 3 253.434 1.792 20 0 CDADHP CN(CC[C@@H]1CC[NH2+]C1)CC[C@H]1CCCC[N@H+]1C ZINC000420324869 244088167 /nfs/dbraw/zinc/08/81/67/244088167.db2.gz VMKDMQQGXYLHOF-LSDHHAIUSA-N 2 3 253.434 1.792 20 0 CDADHP C[C@@H]1C[C@@H](CN2CCC([NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000384577378 373177516 /nfs/dbraw/zinc/17/75/16/373177516.db2.gz RYMIVWRTTGDTFB-CABCVRRESA-N 2 3 265.445 1.935 20 0 CDADHP C[C@@H]1C[C@@H](C[NH+]2CCC(N3CCCC3)CC2)CC[NH2+]1 ZINC000384577378 373177524 /nfs/dbraw/zinc/17/75/24/373177524.db2.gz RYMIVWRTTGDTFB-CABCVRRESA-N 2 3 265.445 1.935 20 0 CDADHP CC[NH+]1CCC(CN[C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000386416976 373380161 /nfs/dbraw/zinc/38/01/61/373380161.db2.gz JOOPGAZWXLJSIL-ZFWWWQNUSA-N 2 3 253.434 1.839 20 0 CDADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000422981172 295248625 /nfs/dbraw/zinc/24/86/25/295248625.db2.gz SASKJZIZPPFXDH-JYJNAYRXSA-N 2 3 283.460 1.330 20 0 CDADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000422981172 295248626 /nfs/dbraw/zinc/24/86/26/295248626.db2.gz SASKJZIZPPFXDH-JYJNAYRXSA-N 2 3 283.460 1.330 20 0 CDADHP [NH3+]Cc1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000647802093 390983986 /nfs/dbraw/zinc/98/39/86/390983986.db2.gz FVUJTXJDJNLKNL-UHFFFAOYSA-N 2 3 259.397 1.862 20 0 CDADHP C[C@H](NCC1CC[NH+](C2CC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423083010 392329806 /nfs/dbraw/zinc/32/98/06/392329806.db2.gz GAXSPMZTPUBAOZ-BBRMVZONSA-N 2 3 265.445 1.981 20 0 CDADHP C[N@H+](CCCC[NH2+][C@H]1CCCC[C@@H]1CN)C1CC1 ZINC000423158463 392397847 /nfs/dbraw/zinc/39/78/47/392397847.db2.gz CRLMDSOSHVQGIS-HIFRSBDPSA-N 2 3 253.434 1.968 20 0 CDADHP C[N@@H+](CCCC[NH2+][C@H]1CCCC[C@@H]1CN)C1CC1 ZINC000423158463 392397853 /nfs/dbraw/zinc/39/78/53/392397853.db2.gz CRLMDSOSHVQGIS-HIFRSBDPSA-N 2 3 253.434 1.968 20 0 CDADHP C(CN1CCC[C@@H]([NH+]2CCCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000420320903 397696917 /nfs/dbraw/zinc/69/69/17/397696917.db2.gz QSRQTZCRBHXSTR-HZPDHXFCSA-N 2 3 265.445 1.936 20 0 CDADHP C(CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000420384501 397701510 /nfs/dbraw/zinc/70/15/10/397701510.db2.gz DYOVLDGCKRQFSB-JKSUJKDBSA-N 2 3 265.445 1.840 20 0 CDADHP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000226345209 289874586 /nfs/dbraw/zinc/87/45/86/289874586.db2.gz BTALBQBVOVUJLN-KBPBESRZSA-N 2 3 253.434 1.825 20 0 CDADHP C[C@@H]1C[C@@H](CN2CCC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC000414791651 297251837 /nfs/dbraw/zinc/25/18/37/297251837.db2.gz QQQJATHKKFEWDQ-ILXRZTDVSA-N 2 3 251.418 1.450 20 0 CDADHP CC(C)([NH3+])CCNCc1cc2c(s1)CC[NH2+]C2 ZINC000903939284 626148798 /nfs/dbraw/zinc/14/87/98/626148798.db2.gz FPVULVJITVRMAQ-UHFFFAOYSA-N 2 3 253.415 1.611 20 0 CDADHP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925631758 694111980 /nfs/dbraw/zinc/11/19/80/694111980.db2.gz JONJXUGBLWAJGG-CYBMUJFWSA-N 2 3 251.418 1.593 20 0 CDADHP CCN1CCC[C@H]1CNC(=[NH2+])NCCC[N@H+](C)C(C)C ZINC000848987884 694880139 /nfs/dbraw/zinc/88/01/39/694880139.db2.gz MFSNAFNGVWQIEU-AWEZNQCLSA-N 2 3 283.464 1.315 20 0 CDADHP CCN1CCC[C@H]1CNC(=[NH2+])NCCC[N@@H+](C)C(C)C ZINC000848987884 694880140 /nfs/dbraw/zinc/88/01/40/694880140.db2.gz MFSNAFNGVWQIEU-AWEZNQCLSA-N 2 3 283.464 1.315 20 0 CDADHP [NH3+]CCSCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167972885 1160125500 /nfs/dbraw/zinc/12/55/00/1160125500.db2.gz DKIDKZOHXJSAJP-GOOCMWNKSA-N 2 3 283.485 1.673 20 0 CDADHP [NH3+]CCSCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167972885 1160125502 /nfs/dbraw/zinc/12/55/02/1160125502.db2.gz DKIDKZOHXJSAJP-GOOCMWNKSA-N 2 3 283.485 1.673 20 0 CDADHP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCN(CC(C)(C)O)CC2)C1 ZINC000877073098 723133684 /nfs/dbraw/zinc/13/36/84/723133684.db2.gz CKSUBJNSLLFQMS-HOTGVXAUSA-N 2 3 297.487 1.684 20 0 CDADHP F[C@H]1CCNC[C@@]12CC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC001235405025 914209120 /nfs/dbraw/zinc/20/91/20/914209120.db2.gz ONNYYZQXAKHHED-LSDHHAIUSA-N 2 3 269.408 1.400 20 0 CDADHP F[C@H]1CCNC[C@@]12CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC001235405025 914209136 /nfs/dbraw/zinc/20/91/36/914209136.db2.gz ONNYYZQXAKHHED-LSDHHAIUSA-N 2 3 269.408 1.400 20 0 CDADHP N[C@@H](CCC[NH3+])Nc1ccc(SC2CC[NH2+]CC2)cc1 ZINC001170902043 930709970 /nfs/dbraw/zinc/70/99/70/930709970.db2.gz AEHHQMOTKCMGJX-OAHLLOKOSA-N 2 3 294.468 1.966 20 0 CDADHP [NH3+]C[C@H]1CCCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001206649307 937470388 /nfs/dbraw/zinc/47/03/88/937470388.db2.gz TZMOIQOGTPWZAG-OAHLLOKOSA-N 2 3 273.424 1.893 20 0 CDADHP C[C@@H]1CC([N@@H+]2CCC[C@](C)(C[NH3+])CC2)C[C@@H](C)N1 ZINC001246578490 931936006 /nfs/dbraw/zinc/93/60/06/931936006.db2.gz RGMALCIHNRLVRS-NFAWXSAZSA-N 2 3 253.434 1.966 20 0 CDADHP C[C@@H]1CC([N@H+]2CCC[C@](C)(C[NH3+])CC2)C[C@@H](C)N1 ZINC001246578490 931936015 /nfs/dbraw/zinc/93/60/15/931936015.db2.gz RGMALCIHNRLVRS-NFAWXSAZSA-N 2 3 253.434 1.966 20 0 CDADHP CC1(C)C[C@@H](N2CCC([C@H]3CCC[NH2+]3)CC2)CC[NH2+]1 ZINC001246832706 932229454 /nfs/dbraw/zinc/22/94/54/932229454.db2.gz NMHCGFCVYRQXCM-LSDHHAIUSA-N 2 3 265.445 1.981 20 0 CDADHP [NH3+]C[C@@H]1CCCCN(Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001206616064 940071998 /nfs/dbraw/zinc/07/19/98/940071998.db2.gz NBSXXYWOGDMWCP-HNNXBMFYSA-N 2 3 273.424 1.893 20 0 CDADHP N[C@@H](CCC[NH3+])C(=O)Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001218972098 941296108 /nfs/dbraw/zinc/29/61/08/941296108.db2.gz GGIJFZDDHMICNK-ZDUSSCGKSA-N 2 3 276.384 1.029 20 0 CDADHP C[NH+]1CCC(C)(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001237380095 944737359 /nfs/dbraw/zinc/73/73/59/944737359.db2.gz FGQZNKAHXMXXNO-CABCVRRESA-N 2 3 265.445 1.792 20 0 CDADHP C(=C/C1CC[NH2+]CC1)\c1cc(N2CC[NH2+]CC2)ccn1 ZINC001243896273 947247579 /nfs/dbraw/zinc/24/75/79/947247579.db2.gz LWMFRGSJZVRTJK-OWOJBTEDSA-N 2 3 272.396 1.504 20 0 CDADHP CCCC[C@H]1C[C@H](NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246159076 947998069 /nfs/dbraw/zinc/99/80/69/947998069.db2.gz WZBGAACOKQOJKN-ZOFXXKQRSA-N 2 3 295.471 1.511 20 0 CDADHP C[C@@H]1C[C@@H](NCC2(c3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246425868 948167527 /nfs/dbraw/zinc/16/75/27/948167527.db2.gz CACSAUSZHOXCFI-CABCVRRESA-N 2 3 288.439 1.433 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccccn3)CC[NH2+]CC2)CCN1 ZINC001246425868 948167534 /nfs/dbraw/zinc/16/75/34/948167534.db2.gz CACSAUSZHOXCFI-CABCVRRESA-N 2 3 288.439 1.433 20 0 CDADHP CC(C)[NH2+]CCNC1CCC2(CCC[NH2+]C2)CC1 ZINC001246450085 948180219 /nfs/dbraw/zinc/18/02/19/948180219.db2.gz AMXMBSAYCISPDF-UHFFFAOYSA-N 2 3 253.434 1.886 20 0 CDADHP C1CC([C@@H]([NH2+]C2CCC3(C[NH2+]C3)CC2)C2CNC2)C1 ZINC001246520146 948223115 /nfs/dbraw/zinc/22/31/15/948223115.db2.gz VJRSCUOKQSMVHK-OAHLLOKOSA-N 2 3 263.429 1.496 20 0 CDADHP CC[C@@H]1CC(N2CCC[C@](O)(C[NH3+])CC2)C[C@@H](CC)[NH2+]1 ZINC001246546029 948254195 /nfs/dbraw/zinc/25/41/95/948254195.db2.gz XVZJHKDUCSWTCM-IIAWOOMASA-N 2 3 283.460 1.471 20 0 CDADHP CN1CCC[C@H]1CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000336719269 359776274 /nfs/dbraw/zinc/77/62/74/359776274.db2.gz VOBHLISMKPOPEI-HNNXBMFYSA-N 2 3 253.434 1.744 20 0 CDADHP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000423429817 359783386 /nfs/dbraw/zinc/78/33/86/359783386.db2.gz STGJOYRULMQELP-YHUYYLMFSA-N 2 3 265.445 1.968 20 0 CDADHP CC(C)[C@H](CN)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000634996200 360624845 /nfs/dbraw/zinc/62/48/45/360624845.db2.gz CLCNMWYEKQGNOK-ZIAGYGMSSA-N 2 3 253.434 1.681 20 0 CDADHP CC(C)[C@H](CN)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000634996200 360624849 /nfs/dbraw/zinc/62/48/49/360624849.db2.gz CLCNMWYEKQGNOK-ZIAGYGMSSA-N 2 3 253.434 1.681 20 0 CDADHP CC(C)[NH+]1CCC(O)(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000339068440 361257738 /nfs/dbraw/zinc/25/77/38/361257738.db2.gz QGFGZYOBVABZCC-JKSUJKDBSA-N 2 3 295.471 1.438 20 0 CDADHP CC(C)[NH+]1CCC(O)(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000339068440 361257740 /nfs/dbraw/zinc/25/77/40/361257740.db2.gz QGFGZYOBVABZCC-JKSUJKDBSA-N 2 3 295.471 1.438 20 0 CDADHP C[NH+](C)CCOc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000563944748 364775201 /nfs/dbraw/zinc/77/52/01/364775201.db2.gz UOXWLUPLZLMAGL-HZPDHXFCSA-N 2 3 291.439 1.987 20 0 CDADHP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000423034752 245512326 /nfs/dbraw/zinc/51/23/26/245512326.db2.gz QMQBWSUNYDXADH-YOEHRIQHSA-N 2 3 291.439 1.470 20 0 CDADHP C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000647508941 390975235 /nfs/dbraw/zinc/97/52/35/390975235.db2.gz ANAHVLDBLBYYNU-HOCLYGCPSA-N 2 3 291.439 1.796 20 0 CDADHP CC[C@@H](NCC1(C)CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000423050670 392301079 /nfs/dbraw/zinc/30/10/79/392301079.db2.gz ZEEFMOAGNQDDIF-KGLIPLIRSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@H]1CCNCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423440454 392576574 /nfs/dbraw/zinc/57/65/74/392576574.db2.gz SZTMCFXLAKFTDB-CYUUQNCZSA-N 2 3 251.418 1.352 20 0 CDADHP C[NH+](C)C1CCC([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000423276926 289066303 /nfs/dbraw/zinc/06/63/03/289066303.db2.gz NPOZAJAFFVYQQG-URGYJCLVSA-N 2 3 253.434 1.966 20 0 CDADHP C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000423564836 290025493 /nfs/dbraw/zinc/02/54/93/290025493.db2.gz YGQZQRSUDZUMAG-VQJWOFKYSA-N 2 3 251.418 1.495 20 0 CDADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCCN1CC[NH2+]CC1 ZINC000414786389 298876376 /nfs/dbraw/zinc/87/63/76/298876376.db2.gz AYQBBVKAMVNJDL-CVEARBPZSA-N 2 3 282.476 1.182 20 0 CDADHP C[C@@H]1C[C@@H](C[NH2+][C@H]2CCNC3(CCC3)C2)CC[NH2+]1 ZINC000666993967 483229216 /nfs/dbraw/zinc/22/92/16/483229216.db2.gz XWLOGROKLPOSPX-RDBSUJKOSA-N 2 3 251.418 1.639 20 0 CDADHP C([C@@H]1CCCC[NH2+]C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000903749567 626071912 /nfs/dbraw/zinc/07/19/12/626071912.db2.gz LXMFHZFPXJEPIE-ZBFHGGJFSA-N 2 3 265.445 1.698 20 0 CDADHP CC(C)(C)[C@]1(CN)CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903778503 626090722 /nfs/dbraw/zinc/09/07/22/626090722.db2.gz NQZQIMUWENUPED-XIRDDKMYSA-N 2 3 295.471 1.452 20 0 CDADHP CC(C)(C)[C@]1(CN)CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903778503 626090726 /nfs/dbraw/zinc/09/07/26/626090726.db2.gz NQZQIMUWENUPED-XIRDDKMYSA-N 2 3 295.471 1.452 20 0 CDADHP C[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1CN ZINC000903930064 626151180 /nfs/dbraw/zinc/15/11/80/626151180.db2.gz RDVYIBPCLXXCTL-AGIDCKOXSA-N 2 3 251.418 1.434 20 0 CDADHP C[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1CN ZINC000903930064 626151178 /nfs/dbraw/zinc/15/11/78/626151178.db2.gz RDVYIBPCLXXCTL-AGIDCKOXSA-N 2 3 251.418 1.434 20 0 CDADHP CCN(C)C[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000788481207 723724372 /nfs/dbraw/zinc/72/43/72/723724372.db2.gz FWDWKGLVRJSHRZ-OAHLLOKOSA-N 2 3 253.434 1.602 20 0 CDADHP CCN(C)C[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000788481207 723724373 /nfs/dbraw/zinc/72/43/73/723724373.db2.gz FWDWKGLVRJSHRZ-OAHLLOKOSA-N 2 3 253.434 1.602 20 0 CDADHP C[C@@H]1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C[NH3+] ZINC000923375055 726004153 /nfs/dbraw/zinc/00/41/53/726004153.db2.gz GRJHWPHJZFJIEQ-LMINUHAASA-N 2 3 265.445 1.824 20 0 CDADHP C[C@@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1CN ZINC000923375055 726004154 /nfs/dbraw/zinc/00/41/54/726004154.db2.gz GRJHWPHJZFJIEQ-LMINUHAASA-N 2 3 265.445 1.824 20 0 CDADHP C[C@@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1CN ZINC000923375055 726004156 /nfs/dbraw/zinc/00/41/56/726004156.db2.gz GRJHWPHJZFJIEQ-LMINUHAASA-N 2 3 265.445 1.824 20 0 CDADHP C([C@@H]1CCC[NH2+]C1)N1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235233151 914106437 /nfs/dbraw/zinc/10/64/37/914106437.db2.gz OLDLIAQZJIPEIO-GDBMZVCRSA-N 2 3 265.445 1.840 20 0 CDADHP C[C@]1(N)CCC[N@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001204940127 902724218 /nfs/dbraw/zinc/72/42/18/902724218.db2.gz VTOSMYJISUUAOE-AWEZNQCLSA-N 2 3 251.418 1.579 20 0 CDADHP C[C@]1(N)CCC[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001204940127 902724225 /nfs/dbraw/zinc/72/42/25/902724225.db2.gz VTOSMYJISUUAOE-AWEZNQCLSA-N 2 3 251.418 1.579 20 0 CDADHP CCCC[NH+]1CCC(CNC[C@@H](O)C[NH+](CC)CC)CC1 ZINC001253211983 930137506 /nfs/dbraw/zinc/13/75/06/930137506.db2.gz GKWCRYDCBMPGPQ-QGZVFWFLSA-N 2 3 299.503 1.791 20 0 CDADHP CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC[NH2+]CC1 ZINC001276713257 940834310 /nfs/dbraw/zinc/83/43/10/940834310.db2.gz AEWPHVYHAVCROG-ALOPSCKCSA-N 2 3 294.487 1.133 20 0 CDADHP CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC[NH2+]CC1 ZINC001276713257 940834313 /nfs/dbraw/zinc/83/43/13/940834313.db2.gz AEWPHVYHAVCROG-ALOPSCKCSA-N 2 3 294.487 1.133 20 0 CDADHP CC(C)(C)C[N@H+](CC[C@H]1C[NH2+]CCO1)C1CCNCC1 ZINC001236456260 944497753 /nfs/dbraw/zinc/49/77/53/944497753.db2.gz APZZGWDQUIYHBI-HNNXBMFYSA-N 2 3 283.460 1.465 20 0 CDADHP CC(C)(C)C[N@@H+](CC[C@H]1C[NH2+]CCO1)C1CCNCC1 ZINC001236456260 944497757 /nfs/dbraw/zinc/49/77/57/944497757.db2.gz APZZGWDQUIYHBI-HNNXBMFYSA-N 2 3 283.460 1.465 20 0 CDADHP CC[NH+](CC)CCC[C@H](C)N1CCN(CC[NH3+])CC1 ZINC001258899242 945442421 /nfs/dbraw/zinc/44/24/21/945442421.db2.gz IOKIKDHIXXXNNP-HNNXBMFYSA-N 2 3 270.465 1.073 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCOC23CC[NH2+]CC3)CCN1 ZINC001246135546 947980127 /nfs/dbraw/zinc/98/01/27/947980127.db2.gz BCCVYJWTVHXDTC-KFWWJZLASA-N 2 3 281.444 1.265 20 0 CDADHP F[C@@H]1CCNC[C@@H]1C[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246224642 948038881 /nfs/dbraw/zinc/03/88/81/948038881.db2.gz XWTSVSBAJSOWPP-UKRRQHHQSA-N 2 3 283.435 1.836 20 0 CDADHP CC1(C)CNCC[C@@H]1[NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246369166 948138954 /nfs/dbraw/zinc/13/89/54/948138954.db2.gz CAWCVXXSUCLPDF-IJEWVQPXSA-N 2 3 265.445 1.886 20 0 CDADHP C[C@H]1C[C@H]([NH2+]CC2(CC3CC3)CC[NH2+]CC2)CCN1 ZINC001246386638 948149037 /nfs/dbraw/zinc/14/90/37/948149037.db2.gz SCDRDKQXIWKUOQ-DZGCQCFKSA-N 2 3 265.445 1.886 20 0 CDADHP [NH3+]CCCC[NH2+]CCCN[C@@H]1CCc2cccc(F)c2C1 ZINC001246455908 948183021 /nfs/dbraw/zinc/18/30/21/948183021.db2.gz GZKWEJCUPUPGNF-OAHLLOKOSA-N 2 3 293.430 1.991 20 0 CDADHP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@H](CCC[NH3+])C2)CCN1 ZINC001246494262 948207342 /nfs/dbraw/zinc/20/73/42/948207342.db2.gz CPCORAXYXDPURJ-RBSFLKMASA-N 2 3 253.434 1.968 20 0 CDADHP C[C@@H]1C[C@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)CCN1 ZINC001246494262 948207353 /nfs/dbraw/zinc/20/73/53/948207353.db2.gz CPCORAXYXDPURJ-RBSFLKMASA-N 2 3 253.434 1.968 20 0 CDADHP [NH3+]C[C@]1(F)CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246553537 948259527 /nfs/dbraw/zinc/25/95/27/948259527.db2.gz ZAOUYVCCIMHUMZ-XGUBFFRZSA-N 2 3 269.408 1.812 20 0 CDADHP [NH3+]C[C@]1(F)CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246553537 948259536 /nfs/dbraw/zinc/25/95/36/948259536.db2.gz ZAOUYVCCIMHUMZ-XGUBFFRZSA-N 2 3 269.408 1.812 20 0 CDADHP NC[C@@H]1CCCC[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246591935 948326563 /nfs/dbraw/zinc/32/65/63/948326563.db2.gz JWWDFKMBINKXDV-LSDHHAIUSA-N 2 3 265.445 1.970 20 0 CDADHP NC[C@@H]1CCCC[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246591935 948326570 /nfs/dbraw/zinc/32/65/70/948326570.db2.gz JWWDFKMBINKXDV-LSDHHAIUSA-N 2 3 265.445 1.970 20 0 CDADHP CC[C@H]1CC(N2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])C[C@H](CC)[NH2+]1 ZINC001246664489 948395945 /nfs/dbraw/zinc/39/59/45/948395945.db2.gz YEPSPUJWZMANCW-CXOVXGEYSA-N 2 3 251.418 1.717 20 0 CDADHP CN1CCC[C@H]1CC[N@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550542078 966028004 /nfs/dbraw/zinc/02/80/04/966028004.db2.gz KDTULIXKKIMGAN-KFWWJZLASA-N 2 3 251.418 1.354 20 0 CDADHP CN1CCC[C@H]1CC[N@@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550542078 966028022 /nfs/dbraw/zinc/02/80/22/966028022.db2.gz KDTULIXKKIMGAN-KFWWJZLASA-N 2 3 251.418 1.354 20 0 CDADHP CN1CCC[C@H]1CC[NH+]1C[C@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001550542078 966028029 /nfs/dbraw/zinc/02/80/29/966028029.db2.gz KDTULIXKKIMGAN-KFWWJZLASA-N 2 3 251.418 1.354 20 0 CDADHP CN1CCC[C@H]1CC[NH+]1C[C@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001550542078 966028046 /nfs/dbraw/zinc/02/80/46/966028046.db2.gz KDTULIXKKIMGAN-KFWWJZLASA-N 2 3 251.418 1.354 20 0 CDADHP CCN(CC)CC[C@@H](C)[NH2+]C1CCN(CC[NH3+])CC1 ZINC001577687452 1171719102 /nfs/dbraw/zinc/71/91/02/1171719102.db2.gz GPBMJBUILKQWLS-CQSZACIVSA-N 2 3 270.465 1.120 20 0 CDADHP CC1(C)CNCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000634733495 358071699 /nfs/dbraw/zinc/07/16/99/358071699.db2.gz GZIFDNJAGCMNSY-XQLPTFJDSA-N 2 3 265.445 1.742 20 0 CDADHP NC[C@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423435492 359789040 /nfs/dbraw/zinc/78/90/40/359789040.db2.gz ZBOVRKCPNYPECP-KBUPBQIOSA-N 2 3 253.434 1.859 20 0 CDADHP CC(C)[C@@H](C[NH3+])CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000634991160 360615780 /nfs/dbraw/zinc/61/57/80/360615780.db2.gz RYUCCIBTGHGNMH-LSDHHAIUSA-N 2 3 253.434 1.681 20 0 CDADHP CC(C)[C@@H](CN)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000634991160 360615784 /nfs/dbraw/zinc/61/57/84/360615784.db2.gz RYUCCIBTGHGNMH-LSDHHAIUSA-N 2 3 253.434 1.681 20 0 CDADHP [NH3+][C@@H]1CCC[C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)C1 ZINC000635011415 360655848 /nfs/dbraw/zinc/65/58/48/360655848.db2.gz NQOYNEAHMGPCOZ-CHWSQXEVSA-N 2 3 275.400 1.173 20 0 CDADHP CC[NH+](CC)CCOCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000565226240 370397445 /nfs/dbraw/zinc/39/74/45/370397445.db2.gz LPYMSFCVKOFQND-UONOGXRCSA-N 2 3 257.422 1.204 20 0 CDADHP COCC1(CN[C@@H](C)C[C@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000414976746 371258959 /nfs/dbraw/zinc/25/89/59/371258959.db2.gz QACCBNZYCZEKJV-UONOGXRCSA-N 2 3 269.433 1.123 20 0 CDADHP CC1([NH+]2CCCC2)CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000631836856 373750041 /nfs/dbraw/zinc/75/00/41/373750041.db2.gz HZTVDTXNDNOSRL-OAHLLOKOSA-N 2 3 265.445 1.936 20 0 CDADHP CC[C@@H]1CN(CCCC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647934673 391378456 /nfs/dbraw/zinc/37/84/56/391378456.db2.gz MCRBNLTXWBFXGB-CABCVRRESA-N 2 3 253.434 1.825 20 0 CDADHP CCOCCC[N@@H+]1CC[C@@H](NCC2=CC[NH2+]CC2)[C@@H](C)C1 ZINC000423334829 392522192 /nfs/dbraw/zinc/52/21/92/392522192.db2.gz GAIORVDLPVYPQT-DOTOQJQBSA-N 2 3 295.471 1.633 20 0 CDADHP CCOCCC[N@H+]1CC[C@@H](NCC2=CC[NH2+]CC2)[C@@H](C)C1 ZINC000423334829 392522203 /nfs/dbraw/zinc/52/22/03/392522203.db2.gz GAIORVDLPVYPQT-DOTOQJQBSA-N 2 3 295.471 1.633 20 0 CDADHP CCOCCCN1CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)[C@H](C)C1 ZINC000422739859 286063590 /nfs/dbraw/zinc/06/35/90/286063590.db2.gz ANPBQKQBJSXHQJ-ZACQAIPSSA-N 2 3 297.487 1.855 20 0 CDADHP C[NH+](C)CCOC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346834802 289166137 /nfs/dbraw/zinc/16/61/37/289166137.db2.gz MZWNVAMHMWFHPZ-AWEZNQCLSA-N 2 3 269.433 1.029 20 0 CDADHP C(CN1CC[C@]2(CC[NH2+]C2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923332274 727309804 /nfs/dbraw/zinc/30/98/04/727309804.db2.gz RHTJUIMGPFFJOR-UYTSQGDYSA-N 2 3 263.429 1.593 20 0 CDADHP C[NH+]1CCC2(CCCN(C[C@H](O)C[NH+]3CCCC3)C2)CC1 ZINC000799177028 727819370 /nfs/dbraw/zinc/81/93/70/727819370.db2.gz IJFYMSNQTIIGCK-MRXNPFEDSA-N 2 3 295.471 1.251 20 0 CDADHP C[C@H]1CNCC[C@@H]1[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246213142 931212793 /nfs/dbraw/zinc/21/27/93/931212793.db2.gz ZCHPPJSCMZPTFV-ZFWWWQNUSA-N 2 3 265.445 1.886 20 0 CDADHP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)[C@H](N)CCC[NH3+] ZINC001220384452 941442294 /nfs/dbraw/zinc/44/22/94/941442294.db2.gz UQXWMEVBIOPJHD-UONOGXRCSA-N 2 3 290.411 1.188 20 0 CDADHP C([C@@H]1CCCNC1)[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235154840 944072569 /nfs/dbraw/zinc/07/25/69/944072569.db2.gz WOZUIDWZCWGPSH-GDBMZVCRSA-N 2 3 265.445 1.840 20 0 CDADHP C([C@@H]1CCCNC1)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235154840 944072575 /nfs/dbraw/zinc/07/25/75/944072575.db2.gz WOZUIDWZCWGPSH-GDBMZVCRSA-N 2 3 265.445 1.840 20 0 CDADHP C([C@H]1CCCNC1)[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235154842 944072711 /nfs/dbraw/zinc/07/27/11/944072711.db2.gz WOZUIDWZCWGPSH-GOEBONIOSA-N 2 3 265.445 1.840 20 0 CDADHP C([C@H]1CCCNC1)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235154842 944072719 /nfs/dbraw/zinc/07/27/19/944072719.db2.gz WOZUIDWZCWGPSH-GOEBONIOSA-N 2 3 265.445 1.840 20 0 CDADHP c1ccc([C@@]23CCNC[C@H]2C[N@H+](CCC2C[NH2+]C2)CC3)cc1 ZINC001235367361 944137361 /nfs/dbraw/zinc/13/73/61/944137361.db2.gz SMCIALJZHVEANK-OALUTQOASA-N 2 3 299.462 1.849 20 0 CDADHP c1ccc([C@@]23CCNC[C@H]2C[N@@H+](CCC2C[NH2+]C2)CC3)cc1 ZINC001235367361 944137363 /nfs/dbraw/zinc/13/73/63/944137363.db2.gz SMCIALJZHVEANK-OALUTQOASA-N 2 3 299.462 1.849 20 0 CDADHP C(C[NH+]1CCC(C2CC[NH2+]CC2)CC1)[C@@H]1CNCCO1 ZINC001235702126 944254613 /nfs/dbraw/zinc/25/46/13/944254613.db2.gz KIDVZCPZSKUYOW-MRXNPFEDSA-N 2 3 281.444 1.077 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H](C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC001246100677 947951624 /nfs/dbraw/zinc/95/16/24/947951624.db2.gz OUARXFXPZRKXTD-MGLUKCQKSA-N 2 3 265.445 1.837 20 0 CDADHP C[C@@H]1CC[NH2+]CC[C@H]1C[NH2+][C@H]1CCNC2(CCC2)C1 ZINC001246112144 947963090 /nfs/dbraw/zinc/96/30/90/947963090.db2.gz PXEKWWWRQBGLED-ILXRZTDVSA-N 2 3 265.445 1.886 20 0 CDADHP COc1cccc(C[C@@H](C)NCCC[NH2+]CCCC[NH3+])c1 ZINC001246459475 948184603 /nfs/dbraw/zinc/18/46/03/948184603.db2.gz WVBAHHUGQAUJFE-OAHLLOKOSA-N 2 3 293.455 1.934 20 0 CDADHP C[C@@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CCN1 ZINC001246508164 948217097 /nfs/dbraw/zinc/21/70/97/948217097.db2.gz DLRRRUVXYNQOTM-XSCHDIRWSA-N 2 3 253.434 1.837 20 0 CDADHP CC[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CCN1 ZINC001246558971 948270468 /nfs/dbraw/zinc/27/04/68/948270468.db2.gz OGBJTSAZKVTLPL-LXTVHRRPSA-N 2 3 253.434 1.824 20 0 CDADHP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CCN1 ZINC001246558971 948270476 /nfs/dbraw/zinc/27/04/76/948270476.db2.gz OGBJTSAZKVTLPL-LXTVHRRPSA-N 2 3 253.434 1.824 20 0 CDADHP CC(C)(C)[C@@H]1C[C@@H](N2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246596798 948331589 /nfs/dbraw/zinc/33/15/89/948331589.db2.gz QXNVMEQGOWDEEQ-GJZGRUSLSA-N 2 3 294.487 1.181 20 0 CDADHP C1[NH2+]CC12CCC([N@@H+]1CC[C@@]3(C1)CCCCN3)CC2 ZINC001246627842 948364890 /nfs/dbraw/zinc/36/48/90/948364890.db2.gz XUTSTNJRRZRDOY-MRXNPFEDSA-N 2 3 263.429 1.737 20 0 CDADHP C1[NH2+]CC12CCC([N@H+]1CC[C@@]3(C1)CCCCN3)CC2 ZINC001246627842 948364896 /nfs/dbraw/zinc/36/48/96/948364896.db2.gz XUTSTNJRRZRDOY-MRXNPFEDSA-N 2 3 263.429 1.737 20 0 CDADHP C[C@@H]1C[C@H]([N@@H+]2CCC3(C2)CC[NH+](C)CC3)CCN1 ZINC001246843811 948471853 /nfs/dbraw/zinc/47/18/53/948471853.db2.gz WLZFMZVPHVZMLP-ZIAGYGMSSA-N 2 3 251.418 1.545 20 0 CDADHP C[C@@H]1C[C@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)CCN1 ZINC001246843811 948471855 /nfs/dbraw/zinc/47/18/55/948471855.db2.gz WLZFMZVPHVZMLP-ZIAGYGMSSA-N 2 3 251.418 1.545 20 0 CDADHP COCC[N@H+](C1CCC2(C[NH2+]C2)CC1)[C@H]1CCCNC1 ZINC001246930624 948527947 /nfs/dbraw/zinc/52/79/47/948527947.db2.gz VKAIRISOHSPUDC-HNNXBMFYSA-N 2 3 281.444 1.219 20 0 CDADHP COCC[N@@H+](C1CCC2(C[NH2+]C2)CC1)[C@H]1CCCNC1 ZINC001246930624 948527952 /nfs/dbraw/zinc/52/79/52/948527952.db2.gz VKAIRISOHSPUDC-HNNXBMFYSA-N 2 3 281.444 1.219 20 0 CDADHP CCCC[NH+]1CCC(CNC[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253409137 951894125 /nfs/dbraw/zinc/89/41/25/951894125.db2.gz OYDMAZBUSFKIFM-INIZCTEOSA-N 2 3 299.503 1.837 20 0 CDADHP C[NH+](C)CC1CCC([NH2+]C[C@H](O)CNC(C)(C)C)CC1 ZINC001253413087 951897214 /nfs/dbraw/zinc/89/72/14/951897214.db2.gz XUVSBHFFSMIWJQ-NRXISQOPSA-N 2 3 285.476 1.445 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C[C@@H]2CCC[NH2+]C2)C1 ZINC000650723919 398162408 /nfs/dbraw/zinc/16/24/08/398162408.db2.gz VVWKQQICGYAYLW-FPCVCCKLSA-N 2 3 281.444 1.347 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2C[C@@H]2CCCNC2)C1 ZINC000650723919 398162412 /nfs/dbraw/zinc/16/24/12/398162412.db2.gz VVWKQQICGYAYLW-FPCVCCKLSA-N 2 3 281.444 1.347 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C[C@@H]2CCCNC2)C1 ZINC000650723919 398162417 /nfs/dbraw/zinc/16/24/17/398162417.db2.gz VVWKQQICGYAYLW-FPCVCCKLSA-N 2 3 281.444 1.347 20 0 CDADHP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000422859248 359664716 /nfs/dbraw/zinc/66/47/16/359664716.db2.gz HDQNNAVUYZWBOG-RRFJBIMHSA-N 2 3 271.449 1.450 20 0 CDADHP CC(C)[C@H](CN)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000634994440 360622065 /nfs/dbraw/zinc/62/20/65/360622065.db2.gz DCEULLFTZUQPDS-RBSFLKMASA-N 2 3 253.434 1.539 20 0 CDADHP CC(C)[C@H](CN)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000634994440 360622069 /nfs/dbraw/zinc/62/20/69/360622069.db2.gz DCEULLFTZUQPDS-RBSFLKMASA-N 2 3 253.434 1.539 20 0 CDADHP NCCC[N@@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000337065911 391102231 /nfs/dbraw/zinc/10/22/31/391102231.db2.gz ZYEAKXYEMSAUTG-UHFFFAOYSA-N 2 3 261.413 1.837 20 0 CDADHP NCCC[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000337065911 391102234 /nfs/dbraw/zinc/10/22/34/391102234.db2.gz ZYEAKXYEMSAUTG-UHFFFAOYSA-N 2 3 261.413 1.837 20 0 CDADHP [NH3+]CCCN(Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000337065911 391102236 /nfs/dbraw/zinc/10/22/36/391102236.db2.gz ZYEAKXYEMSAUTG-UHFFFAOYSA-N 2 3 261.413 1.837 20 0 CDADHP CC(C)C[C@@H](N)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000414773374 391376086 /nfs/dbraw/zinc/37/60/86/391376086.db2.gz SSGXRZRXUCNFEZ-LSDHHAIUSA-N 2 3 253.434 1.681 20 0 CDADHP C[C@H](C[NH3+])CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423296533 392493861 /nfs/dbraw/zinc/49/38/61/392493861.db2.gz HEDGEJIHKDSWDX-ZIAGYGMSSA-N 2 3 279.428 1.872 20 0 CDADHP C[NH+](C)CCC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346819524 289108315 /nfs/dbraw/zinc/10/83/15/289108315.db2.gz HLFYNTDCYIECAM-HNNXBMFYSA-N 2 3 253.434 1.650 20 0 CDADHP C(CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000420376368 397701998 /nfs/dbraw/zinc/70/19/98/397701998.db2.gz QQRGHINPKDJKOJ-INMHGKMJSA-N 2 3 277.456 1.935 20 0 CDADHP C(CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000420376368 397701999 /nfs/dbraw/zinc/70/19/99/397701999.db2.gz QQRGHINPKDJKOJ-INMHGKMJSA-N 2 3 277.456 1.935 20 0 CDADHP N[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000665298920 414041217 /nfs/dbraw/zinc/04/12/17/414041217.db2.gz CGSNTFWMHMWJRJ-JKSUJKDBSA-N 2 3 265.445 1.968 20 0 CDADHP C[C@@H]([NH3+])[C@H]1CCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662265711 414600924 /nfs/dbraw/zinc/60/09/24/414600924.db2.gz IAJMBQBNAAGLGK-OCCSQVGLSA-N 2 3 259.397 1.501 20 0 CDADHP C([C@@H]1CCC2(CNC2)O1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662291889 414618034 /nfs/dbraw/zinc/61/80/34/414618034.db2.gz AKSQCQUYORVRLH-CVEARBPZSA-N 2 3 293.455 1.219 20 0 CDADHP C([C@@H]1CCC2(CNC2)O1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662291889 414618037 /nfs/dbraw/zinc/61/80/37/414618037.db2.gz AKSQCQUYORVRLH-CVEARBPZSA-N 2 3 293.455 1.219 20 0 CDADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC1=CC[NH2+]CC1 ZINC000423361574 278216220 /nfs/dbraw/zinc/21/62/20/278216220.db2.gz XEMQTFUPUGOUHJ-HIFRSBDPSA-N 2 3 251.418 1.807 20 0 CDADHP C[C@@H]1C[C@H]([NH3+])CCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923393027 618327536 /nfs/dbraw/zinc/32/75/36/618327536.db2.gz MODAPDOKLAFVLX-ZWBVZUSMSA-N 2 3 251.418 1.719 20 0 CDADHP C[C@@H]1C[C@H](C)[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1CN ZINC000903930519 626150739 /nfs/dbraw/zinc/15/07/39/626150739.db2.gz ZGWNZSAREIEBII-DHNOEEMTSA-N 2 3 265.445 1.822 20 0 CDADHP C[C@@H]1C[C@H](C)[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1CN ZINC000903930519 626150741 /nfs/dbraw/zinc/15/07/41/626150741.db2.gz ZGWNZSAREIEBII-DHNOEEMTSA-N 2 3 265.445 1.822 20 0 CDADHP CC(C)(N)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904415887 626286819 /nfs/dbraw/zinc/28/68/19/626286819.db2.gz CJTBSKUUILJXQL-ZDUSSCGKSA-N 2 3 253.434 1.825 20 0 CDADHP [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293251 728844117 /nfs/dbraw/zinc/84/41/17/728844117.db2.gz JWBMKVVDDKAHFV-RBSFLKMASA-N 2 3 281.444 1.395 20 0 CDADHP CCC[N@H+](C)C[C@H]1CCN(CC2CC[NH+](C)CC2)C1 ZINC000788480673 728969637 /nfs/dbraw/zinc/96/96/37/728969637.db2.gz CLNDZRLUJGCEJQ-MRXNPFEDSA-N 2 3 267.461 1.992 20 0 CDADHP CCC[N@@H+](C)C[C@H]1CCN(CC2CC[NH+](C)CC2)C1 ZINC000788480673 728969642 /nfs/dbraw/zinc/96/96/42/728969642.db2.gz CLNDZRLUJGCEJQ-MRXNPFEDSA-N 2 3 267.461 1.992 20 0 CDADHP NC[C@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260527 729862718 /nfs/dbraw/zinc/86/27/18/729862718.db2.gz CHVNNDAIWDJNKM-UXXRCYHCSA-N 2 3 251.418 1.624 20 0 CDADHP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCN[C@@H]2C)CC1 ZINC000925544762 729989681 /nfs/dbraw/zinc/98/96/81/729989681.db2.gz CEDCOIDLNZFXCO-CVEARBPZSA-N 2 3 282.476 1.134 20 0 CDADHP C([C@H]1CCC[NH2+]C1)N1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235233154 914107920 /nfs/dbraw/zinc/10/79/20/914107920.db2.gz OLDLIAQZJIPEIO-GOEBONIOSA-N 2 3 265.445 1.840 20 0 CDADHP C[NH2+][C@@]12CC[C@@]([NH2+]C[C@@H]3CCCN(C)C3)(C1)CCC2 ZINC001276497781 940100352 /nfs/dbraw/zinc/10/03/52/940100352.db2.gz ZXVFBHCNKSBJBX-HRCADAONSA-N 2 3 265.445 1.983 20 0 CDADHP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@@]2(CCCNC2)C1 ZINC001222259425 941579809 /nfs/dbraw/zinc/57/98/09/941579809.db2.gz PMHMRGTXTPJNDC-OAHLLOKOSA-N 2 3 251.418 1.452 20 0 CDADHP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@]2(CCCNC2)C1 ZINC001222259425 941579811 /nfs/dbraw/zinc/57/98/11/941579811.db2.gz PMHMRGTXTPJNDC-OAHLLOKOSA-N 2 3 251.418 1.452 20 0 CDADHP C(C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1)[C@H]1CNCCO1 ZINC001235231230 944100687 /nfs/dbraw/zinc/10/06/87/944100687.db2.gz DJXYATNYVMFCCM-JKSUJKDBSA-N 2 3 281.444 1.219 20 0 CDADHP C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)[C@H]1CNCCO1 ZINC001235429025 944153055 /nfs/dbraw/zinc/15/30/55/944153055.db2.gz WIHXTISCRDZJRX-OAGGEKHMSA-N 2 3 281.444 1.077 20 0 CDADHP C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)[C@H]1CNCCO1 ZINC001235429025 944153056 /nfs/dbraw/zinc/15/30/56/944153056.db2.gz WIHXTISCRDZJRX-OAGGEKHMSA-N 2 3 281.444 1.077 20 0 CDADHP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246133564 947977238 /nfs/dbraw/zinc/97/72/38/947977238.db2.gz KGAHQUBYSWFLLV-IXXDHKBRSA-N 2 3 279.428 1.160 20 0 CDADHP c1cc2n(c1)C[C@@H](CCN[C@H]1CCCC[NH2+]C1)C[NH2+]C2 ZINC001246136155 947980451 /nfs/dbraw/zinc/98/04/51/947980451.db2.gz CMBXTFIHPRMXGF-GJZGRUSLSA-N 2 3 276.428 1.329 20 0 CDADHP C1[NH2+]CC12CCOC[C@H]2NC1CCC2(CCC[NH2+]C2)CC1 ZINC001246138452 947982719 /nfs/dbraw/zinc/98/27/19/947982719.db2.gz MOPGLDCARCPHCY-HWOWSKLDSA-N 2 3 293.455 1.267 20 0 CDADHP C1NCC12CCOC[C@H]2[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246138452 947982724 /nfs/dbraw/zinc/98/27/24/947982724.db2.gz MOPGLDCARCPHCY-HWOWSKLDSA-N 2 3 293.455 1.267 20 0 CDADHP c1ccc(CC2(C[NH2+]C3CCNCC3)CC[NH2+]CC2)cc1 ZINC001246436769 948171570 /nfs/dbraw/zinc/17/15/70/948171570.db2.gz LSAFXRNGEOUZHO-UHFFFAOYSA-N 2 3 287.451 1.941 20 0 CDADHP CC[C@@]1([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)CCNC1 ZINC001246465951 948189175 /nfs/dbraw/zinc/18/91/75/948189175.db2.gz UPTNARIAFMGTFD-DZGCQCFKSA-N 2 3 251.418 1.640 20 0 CDADHP CC[C@@H]1C[C@@H]([N@@H+]2CCCC3(CC[NH2+]CC3)C2)CCN1 ZINC001246525361 948227433 /nfs/dbraw/zinc/22/74/33/948227433.db2.gz WNTDZBSHEPEOEJ-CABCVRRESA-N 2 3 265.445 1.983 20 0 CDADHP CC[C@@H]1C[C@@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)CCN1 ZINC001246525361 948227439 /nfs/dbraw/zinc/22/74/39/948227439.db2.gz WNTDZBSHEPEOEJ-CABCVRRESA-N 2 3 265.445 1.983 20 0 CDADHP C[NH2+]C1CCC([N@@H+]2CCC[C@]3(CCCNC3)C2)CC1 ZINC001246606412 948341765 /nfs/dbraw/zinc/34/17/65/948341765.db2.gz FGKMNLLWTJKUJK-GPANFISMSA-N 2 3 265.445 1.983 20 0 CDADHP C[NH2+]C1CCC([N@H+]2CCC[C@]3(CCCNC3)C2)CC1 ZINC001246606412 948341771 /nfs/dbraw/zinc/34/17/71/948341771.db2.gz FGKMNLLWTJKUJK-GPANFISMSA-N 2 3 265.445 1.983 20 0 CDADHP c1ccc(C[C@@H]2C[C@H]([N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)CCN2)cc1 ZINC001246848932 948476569 /nfs/dbraw/zinc/47/65/69/948476569.db2.gz XGARTUCBINFSPF-WJFTUGDTSA-N 2 3 299.462 1.891 20 0 CDADHP c1ccc(C[C@@H]2C[C@H]([N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)CCN2)cc1 ZINC001246848932 948476572 /nfs/dbraw/zinc/47/65/72/948476572.db2.gz XGARTUCBINFSPF-WJFTUGDTSA-N 2 3 299.462 1.891 20 0 CDADHP C[C@@H]1C[C@H]([NH3+])CN1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246996127 948567953 /nfs/dbraw/zinc/56/79/53/948567953.db2.gz FSOLKQDLGIQOOF-DNDYEEKYSA-N 2 3 251.418 1.720 20 0 CDADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1C[C@H]2CCC[C@@]2(CN)C1 ZINC001549309571 968132345 /nfs/dbraw/zinc/13/23/45/968132345.db2.gz BITFJUWQINSWGV-KBUPBQIOSA-N 2 3 251.418 1.293 20 0 CDADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1C[C@H]2CCC[C@@]2(CN)C1 ZINC001549309571 968132350 /nfs/dbraw/zinc/13/23/50/968132350.db2.gz BITFJUWQINSWGV-KBUPBQIOSA-N 2 3 251.418 1.293 20 0 CDADHP C[C@@H]([NH2+][C@@H]1CCNC12CCC2)C1CC[NH+](C)CC1 ZINC000629521481 362135809 /nfs/dbraw/zinc/13/58/09/362135809.db2.gz SVDPNEMEWXZXNC-TZMCWYRMSA-N 2 3 251.418 1.591 20 0 CDADHP [NH3+][C@H]1C[C@H](NCC2CC[NH+](CCO)CC2)c2ccccc21 ZINC000422981377 359696412 /nfs/dbraw/zinc/69/64/12/359696412.db2.gz SLNBDWOKLIBWDS-IRXDYDNUSA-N 2 3 289.423 1.425 20 0 CDADHP CC(C)[C@@H](CN)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000634996458 360626295 /nfs/dbraw/zinc/62/62/95/360626295.db2.gz KNUWKLQMTSWQRZ-CVEARBPZSA-N 2 3 267.461 1.929 20 0 CDADHP CC(C)[C@@H](C[NH3+])CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000634996458 360626298 /nfs/dbraw/zinc/62/62/98/360626298.db2.gz KNUWKLQMTSWQRZ-CVEARBPZSA-N 2 3 267.461 1.929 20 0 CDADHP C[C@@H]1CC[NH2+]CC[C@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635012200 360657301 /nfs/dbraw/zinc/65/73/01/360657301.db2.gz RWICJHOKJMDMGS-UKRRQHHQSA-N 2 3 289.427 1.291 20 0 CDADHP C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422719800 245178176 /nfs/dbraw/zinc/17/81/76/245178176.db2.gz RMZYQKPXVKDTMQ-ULQDDVLXSA-N 2 3 297.487 1.985 20 0 CDADHP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@@H]1CCCCN1 ZINC000422740541 245200836 /nfs/dbraw/zinc/20/08/36/245200836.db2.gz MXICICDYKNMQFG-WBVHZDCISA-N 2 3 296.503 1.380 20 0 CDADHP CC(C)[NH2+]C1CCN(C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414689997 391343713 /nfs/dbraw/zinc/34/37/13/391343713.db2.gz HDVUGLRNKNPPQF-KBPBESRZSA-N 2 3 253.434 1.837 20 0 CDADHP CC[N@H+](CCC1CC[NH2+]CC1)[C@H]1CCCNCC1 ZINC000345203076 392122232 /nfs/dbraw/zinc/12/22/32/392122232.db2.gz LSJNMZASQWPGSG-HNNXBMFYSA-N 2 3 253.434 1.840 20 0 CDADHP CC[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCCNCC1 ZINC000345203076 392122237 /nfs/dbraw/zinc/12/22/37/392122237.db2.gz LSJNMZASQWPGSG-HNNXBMFYSA-N 2 3 253.434 1.840 20 0 CDADHP N[C@@H]1C[C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc21 ZINC000423182975 392422640 /nfs/dbraw/zinc/42/26/40/392422640.db2.gz KRJRRUZAJMPFCN-HZPDHXFCSA-N 2 3 274.412 1.016 20 0 CDADHP C[C@@H](NC1CCC([NH+](C)C)CC1)[C@H]1CCCC[NH2+]1 ZINC000423539695 287011689 /nfs/dbraw/zinc/01/16/89/287011689.db2.gz BYAJYJGYWHSEFS-XSCHDIRWSA-N 2 3 253.434 1.979 20 0 CDADHP C(N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663493790 414290460 /nfs/dbraw/zinc/29/04/60/414290460.db2.gz KCDRYMCANKKUAT-LVQVYYBASA-N 2 3 263.429 1.308 20 0 CDADHP C(C[C@H]1CC[NH2+]C1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000423243031 277720908 /nfs/dbraw/zinc/72/09/08/277720908.db2.gz GCFADUUNIOKDBN-QKPAOTATSA-N 2 3 265.445 1.886 20 0 CDADHP C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C[C@H](C)O1 ZINC000422913961 288161045 /nfs/dbraw/zinc/16/10/45/288161045.db2.gz RHNACHDNWOPEOV-MWDXBVQZSA-N 2 3 297.487 1.854 20 0 CDADHP CCN1CCC[C@H](C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000892743884 617692832 /nfs/dbraw/zinc/69/28/32/617692832.db2.gz UQBHXARIZUQDJB-OAHLLOKOSA-N 2 3 253.434 1.650 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C[C@H]3CCCC[NH2+]C3)C2)C1 ZINC000903763490 626083262 /nfs/dbraw/zinc/08/32/62/626083262.db2.gz KSANKUVJECXPRG-HZMVEIRTSA-N 2 3 295.471 1.594 20 0 CDADHP C[C@]1(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)CCC[NH2+]C1 ZINC000904373739 626269315 /nfs/dbraw/zinc/26/93/15/626269315.db2.gz VRIHOTICVYIBGN-ZACQAIPSSA-N 2 3 295.471 1.594 20 0 CDADHP [NH3+]C[C@@H]1CCCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923281334 731222141 /nfs/dbraw/zinc/22/21/41/731222141.db2.gz PBKMNTHYPOZKOC-WIGRTHMWSA-N 2 3 251.418 1.578 20 0 CDADHP COc1ccc([C@H](C[NH3+])CN2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923481647 731291116 /nfs/dbraw/zinc/29/11/16/731291116.db2.gz TXHZBCBBQKQNAB-UKRRQHHQSA-N 2 3 277.412 1.408 20 0 CDADHP C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292194 731864700 /nfs/dbraw/zinc/86/47/00/731864700.db2.gz PADUCBHQTCCPHL-XHSDSOJGSA-N 2 3 293.455 1.362 20 0 CDADHP C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292194 731864702 /nfs/dbraw/zinc/86/47/02/731864702.db2.gz PADUCBHQTCCPHL-XHSDSOJGSA-N 2 3 293.455 1.362 20 0 CDADHP CC(C)(C)[C@@]1(C[NH3+])CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923413511 732288920 /nfs/dbraw/zinc/28/89/20/732288920.db2.gz GNPQHKYMFFARKW-XJKSGUPXSA-N 2 3 281.444 1.062 20 0 CDADHP C[NH+](C)C1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000699282360 913674381 /nfs/dbraw/zinc/67/43/81/913674381.db2.gz MNKHNJSDPBZFMR-AGUYFDCRSA-N 2 3 251.418 1.543 20 0 CDADHP CN(C)C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000699282360 913674388 /nfs/dbraw/zinc/67/43/88/913674388.db2.gz MNKHNJSDPBZFMR-AGUYFDCRSA-N 2 3 251.418 1.543 20 0 CDADHP C[C@@H]1[C@H](CN)CCC[N@@H+]1C1CCC2(C[NH2+]C2)CC1 ZINC001246561810 931787620 /nfs/dbraw/zinc/78/76/20/931787620.db2.gz GLQCDJWUFHLPLE-OLZOCXBDSA-N 2 3 251.418 1.578 20 0 CDADHP C[C@@H]1[C@H](CN)CCC[N@H+]1C1CCC2(C[NH2+]C2)CC1 ZINC001246561810 931787624 /nfs/dbraw/zinc/78/76/24/931787624.db2.gz GLQCDJWUFHLPLE-OLZOCXBDSA-N 2 3 251.418 1.578 20 0 CDADHP [NH3+]C[C@]1(F)CCCN(CC[C@H]2CCCC[NH2+]2)CC1 ZINC001205545528 939898944 /nfs/dbraw/zinc/89/89/44/939898944.db2.gz IYWLSTIDKPIBTQ-KGLIPLIRSA-N 2 3 257.397 1.672 20 0 CDADHP C(C[N@H+](C[C@@H]1CCCNC1)C1CCCC1)[C@H]1C[NH2+]CCO1 ZINC001236370590 944485706 /nfs/dbraw/zinc/48/57/06/944485706.db2.gz IEMKAMBWDUQNBA-WBVHZDCISA-N 2 3 295.471 1.609 20 0 CDADHP C(C[N@@H+](C[C@@H]1CCCNC1)C1CCCC1)[C@H]1C[NH2+]CCO1 ZINC001236370590 944485711 /nfs/dbraw/zinc/48/57/11/944485711.db2.gz IEMKAMBWDUQNBA-WBVHZDCISA-N 2 3 295.471 1.609 20 0 CDADHP C[C@@H]1CC[C@H](NCC2CC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246129360 947975856 /nfs/dbraw/zinc/97/58/56/947975856.db2.gz WIYBAZCSLIPOLT-OCCSQVGLSA-N 2 3 251.418 1.496 20 0 CDADHP C[C@@H]1C[C@@H](NC[C@H]2CCC3(CC[NH2+]CC3)O2)CC[NH2+]1 ZINC001246138392 947982469 /nfs/dbraw/zinc/98/24/69/947982469.db2.gz ZNZSLDKXXVHFIJ-HZSPNIEDSA-N 2 3 267.417 1.018 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)O2)CCN1 ZINC001246138392 947982474 /nfs/dbraw/zinc/98/24/74/947982474.db2.gz ZNZSLDKXXVHFIJ-HZSPNIEDSA-N 2 3 267.417 1.018 20 0 CDADHP C[C@@H]1C[C@@H](NC[C@H]2CCC3(CC[NH2+]CC3)CO2)CC[NH2+]1 ZINC001246171351 948005333 /nfs/dbraw/zinc/00/53/33/948005333.db2.gz JJRABGYNKWGLLG-QLFBSQMISA-N 2 3 281.444 1.265 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)CO2)CCN1 ZINC001246171351 948005341 /nfs/dbraw/zinc/00/53/41/948005341.db2.gz JJRABGYNKWGLLG-QLFBSQMISA-N 2 3 281.444 1.265 20 0 CDADHP COc1ccccc1C[C@@H](C)NCCC[NH2+]CCCC[NH3+] ZINC001246454986 948183082 /nfs/dbraw/zinc/18/30/82/948183082.db2.gz CTBNZHOKRUTTJQ-OAHLLOKOSA-N 2 3 293.455 1.934 20 0 CDADHP C[C@@H]1CC([N@@H+]2CCCC3(CC[NH2+]CC3)C2)C[C@@H](C)N1 ZINC001246524847 948226614 /nfs/dbraw/zinc/22/66/14/948226614.db2.gz SPVLLUGSRYQXMC-ZIAGYGMSSA-N 2 3 265.445 1.981 20 0 CDADHP C[C@@H]1CC([N@H+]2CCCC3(CC[NH2+]CC3)C2)C[C@@H](C)N1 ZINC001246524847 948226620 /nfs/dbraw/zinc/22/66/20/948226620.db2.gz SPVLLUGSRYQXMC-ZIAGYGMSSA-N 2 3 265.445 1.981 20 0 CDADHP C[C@H]1CC[N@@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@H]1CN ZINC001246549945 948256572 /nfs/dbraw/zinc/25/65/72/948256572.db2.gz IUPFZUIURHDZBF-QRNKSROTSA-N 2 3 265.445 1.825 20 0 CDADHP C[C@H]1CC[N@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@H]1CN ZINC001246549945 948256580 /nfs/dbraw/zinc/25/65/80/948256580.db2.gz IUPFZUIURHDZBF-QRNKSROTSA-N 2 3 265.445 1.825 20 0 CDADHP C1C[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)[C@@H]2CCNC[C@H]12 ZINC001246619238 948350648 /nfs/dbraw/zinc/35/06/48/948350648.db2.gz JUVURIMWOUNKLM-GOEBONIOSA-N 2 3 277.456 1.983 20 0 CDADHP C1C[N@H+](C2CCC3(CC[NH2+]CC3)CC2)[C@@H]2CCNC[C@H]12 ZINC001246619238 948350655 /nfs/dbraw/zinc/35/06/55/948350655.db2.gz JUVURIMWOUNKLM-GOEBONIOSA-N 2 3 277.456 1.983 20 0 CDADHP C1[NH2+]C[C@H]2OCCN(C3CCC4(CCC[NH2+]C4)CC3)C[C@@H]12 ZINC001246623970 948360353 /nfs/dbraw/zinc/36/03/53/948360353.db2.gz NBJBEAAPRFHQLT-KZYLPZIUSA-N 2 3 293.455 1.219 20 0 CDADHP CCCC[C@@H]1C[C@H](N2C[C@H]3CC[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC001246846422 948473051 /nfs/dbraw/zinc/47/30/51/948473051.db2.gz NLLIWNGGKGHMAY-QKPAOTATSA-N 2 3 265.445 1.839 20 0 CDADHP CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422835868 282258446 /nfs/dbraw/zinc/25/84/46/282258446.db2.gz JHFRBVRAHOSQKQ-CVSAEHQPSA-N 2 3 253.434 1.966 20 0 CDADHP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](N(C)C)CC2)CC[NH2+]1 ZINC000414730259 366034368 /nfs/dbraw/zinc/03/43/68/366034368.db2.gz AODQVQBXPUGFEQ-KFWWJZLASA-N 2 3 253.434 1.791 20 0 CDADHP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](N(C)C)CC2)CC[NH2+]1 ZINC000414730259 366034372 /nfs/dbraw/zinc/03/43/72/366034372.db2.gz AODQVQBXPUGFEQ-KFWWJZLASA-N 2 3 253.434 1.791 20 0 CDADHP C[C@@H]1C[C@H](CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CC[NH2+]1 ZINC000414742261 366051053 /nfs/dbraw/zinc/05/10/53/366051053.db2.gz FXXMCKUDYNBWKV-OVYGPGRDSA-N 2 3 295.471 1.558 20 0 CDADHP CCCN(C)C[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420326193 283064704 /nfs/dbraw/zinc/06/47/04/283064704.db2.gz XGIDUTXJXGUQMC-LSDHHAIUSA-N 2 3 253.434 1.650 20 0 CDADHP CCCN(C)C[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420326193 283064709 /nfs/dbraw/zinc/06/47/09/283064709.db2.gz XGIDUTXJXGUQMC-LSDHHAIUSA-N 2 3 253.434 1.650 20 0 CDADHP CCC[N@H+](C)C[C@H]1CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000420326193 283064714 /nfs/dbraw/zinc/06/47/14/283064714.db2.gz XGIDUTXJXGUQMC-LSDHHAIUSA-N 2 3 253.434 1.650 20 0 CDADHP CCC[N@@H+](C)C[C@H]1CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000420326193 283064719 /nfs/dbraw/zinc/06/47/19/283064719.db2.gz XGIDUTXJXGUQMC-LSDHHAIUSA-N 2 3 253.434 1.650 20 0 CDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000422974607 359732659 /nfs/dbraw/zinc/73/26/59/359732659.db2.gz FOIBWMGQWPUAAF-OAGGEKHMSA-N 2 3 283.460 1.201 20 0 CDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000422974607 359732662 /nfs/dbraw/zinc/73/26/62/359732662.db2.gz FOIBWMGQWPUAAF-OAGGEKHMSA-N 2 3 283.460 1.201 20 0 CDADHP C[C@H](C[C@H](C)[NH3+])Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635007906 360658217 /nfs/dbraw/zinc/65/82/17/360658217.db2.gz BRAZJVHIPROFIK-NWDGAFQWSA-N 2 3 263.389 1.029 20 0 CDADHP [NH3+]C[C@H]1CCC[C@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635012875 360658328 /nfs/dbraw/zinc/65/83/28/360658328.db2.gz WMOOZPWUGBGHAU-TZMCWYRMSA-N 2 3 275.400 1.031 20 0 CDADHP C[C@@H]1CCC[N@H+](CCCCNC[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000581483315 373033560 /nfs/dbraw/zinc/03/35/60/373033560.db2.gz DBABUZFHMCRACJ-NVXWUHKLSA-N 2 3 297.487 1.543 20 0 CDADHP C[C@@H]1CCC[N@@H+](CCCCNC[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000581483315 373033565 /nfs/dbraw/zinc/03/35/65/373033565.db2.gz DBABUZFHMCRACJ-NVXWUHKLSA-N 2 3 297.487 1.543 20 0 CDADHP C[C@@H]1CCC[NH+](CCCCNC[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000581483315 373033572 /nfs/dbraw/zinc/03/35/72/373033572.db2.gz DBABUZFHMCRACJ-NVXWUHKLSA-N 2 3 297.487 1.543 20 0 CDADHP C[C@@H]1CCC[NH+](CCCCNC[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000581483315 373033577 /nfs/dbraw/zinc/03/35/77/373033577.db2.gz DBABUZFHMCRACJ-NVXWUHKLSA-N 2 3 297.487 1.543 20 0 CDADHP CN(CC1CC1)C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261681150 377888216 /nfs/dbraw/zinc/88/82/16/377888216.db2.gz IITFBLPRYLHQIC-INIZCTEOSA-N 2 3 265.445 1.650 20 0 CDADHP CN(CC1CC1)C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261681150 377888222 /nfs/dbraw/zinc/88/82/22/377888222.db2.gz IITFBLPRYLHQIC-INIZCTEOSA-N 2 3 265.445 1.650 20 0 CDADHP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCN(C2CC2)C1 ZINC000250649726 533370554 /nfs/dbraw/zinc/37/05/54/533370554.db2.gz LRYBRXFQUQNEGZ-BSWAZPDLSA-N 2 3 277.456 1.981 20 0 CDADHP C[C@@H]1C[NH+](CC2CCN(CCC[NH3+])CC2)C[C@@H](C)O1 ZINC000414692532 391344608 /nfs/dbraw/zinc/34/46/08/391344608.db2.gz QKMYAFCNASJVFO-ZIAGYGMSSA-N 2 3 269.433 1.156 20 0 CDADHP C([C@@H]1CC[NH2+]C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975067 391366452 /nfs/dbraw/zinc/36/64/52/391366452.db2.gz JMZSKJDKHBFZCE-RBSFLKMASA-N 2 3 251.418 1.308 20 0 CDADHP C[C@]1(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000656783687 413652866 /nfs/dbraw/zinc/65/28/66/413652866.db2.gz UJFQEIKDSWQEPT-CVEARBPZSA-N 2 3 265.445 1.698 20 0 CDADHP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CNCC3)C1 ZINC000656787086 413665491 /nfs/dbraw/zinc/66/54/91/413665491.db2.gz SVPXBWRJGRLEET-MLGOLLRUSA-N 2 3 259.397 1.549 20 0 CDADHP CCN(CC)CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401133655 424427732 /nfs/dbraw/zinc/42/77/32/424427732.db2.gz PIIRNPXBOUKPJU-QLFBSQMISA-N 2 3 253.434 1.696 20 0 CDADHP NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333846009 303400779 /nfs/dbraw/zinc/40/07/79/303400779.db2.gz PDKOSOBWBQSNBR-ZQNQSHIBSA-N 2 3 251.418 1.482 20 0 CDADHP CCCC[N@H+](C)CC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000579479117 324199144 /nfs/dbraw/zinc/19/91/44/324199144.db2.gz PNBUMDPCHDRQNU-UHFFFAOYSA-N 2 3 296.503 1.336 20 0 CDADHP CCCC[N@@H+](C)CC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000579479117 324199146 /nfs/dbraw/zinc/19/91/46/324199146.db2.gz PNBUMDPCHDRQNU-UHFFFAOYSA-N 2 3 296.503 1.336 20 0 CDADHP C[C@]1(CN2CCC(OCCC[NH3+])CC2)CCC[NH2+]C1 ZINC000904301015 626242467 /nfs/dbraw/zinc/24/24/67/626242467.db2.gz DXUXEDBTFKILJT-HNNXBMFYSA-N 2 3 269.433 1.206 20 0 CDADHP C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292191 734577322 /nfs/dbraw/zinc/57/73/22/734577322.db2.gz PADUCBHQTCCPHL-ARFHVFGLSA-N 2 3 293.455 1.362 20 0 CDADHP C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292191 734577326 /nfs/dbraw/zinc/57/73/26/734577326.db2.gz PADUCBHQTCCPHL-ARFHVFGLSA-N 2 3 293.455 1.362 20 0 CDADHP C[C@@H]1CCN(Cc2ccc3c(c2)CC[NH2+]C3)C[C@@H]1C[NH3+] ZINC001205303225 919219047 /nfs/dbraw/zinc/21/90/47/919219047.db2.gz BBSJUSXPKMVVAT-DYVFJYSZSA-N 2 3 273.424 1.749 20 0 CDADHP CN1CCCC[C@H]1CC[N@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550541058 926636449 /nfs/dbraw/zinc/63/64/49/926636449.db2.gz PTYKJVBPFKDIBK-OAGGEKHMSA-N 2 3 265.445 1.744 20 0 CDADHP CN1CCCC[C@H]1CC[N@@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550541058 926636453 /nfs/dbraw/zinc/63/64/53/926636453.db2.gz PTYKJVBPFKDIBK-OAGGEKHMSA-N 2 3 265.445 1.744 20 0 CDADHP CN1CCCC[C@H]1CC[NH+]1C[C@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001550541058 926636455 /nfs/dbraw/zinc/63/64/55/926636455.db2.gz PTYKJVBPFKDIBK-OAGGEKHMSA-N 2 3 265.445 1.744 20 0 CDADHP CN1CCCC[C@H]1CC[NH+]1C[C@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001550541058 926636459 /nfs/dbraw/zinc/63/64/59/926636459.db2.gz PTYKJVBPFKDIBK-OAGGEKHMSA-N 2 3 265.445 1.744 20 0 CDADHP [NH3+]C1CCN(c2cccc(N[C@@H]3CCC[C@H]([NH3+])C3)n2)CC1 ZINC001154986209 937616848 /nfs/dbraw/zinc/61/68/48/937616848.db2.gz FZOAWICJVAUTNT-UONOGXRCSA-N 2 3 289.427 1.691 20 0 CDADHP [NH3+]C1CCN(c2cccc(N[C@@H]3CCC[C@@H]([NH3+])C3)n2)CC1 ZINC001154986211 937616892 /nfs/dbraw/zinc/61/68/92/937616892.db2.gz FZOAWICJVAUTNT-ZIAGYGMSSA-N 2 3 289.427 1.691 20 0 CDADHP CCC[NH+]1CCC(NC[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001246151256 947991006 /nfs/dbraw/zinc/99/10/06/947991006.db2.gz WXSVOOLESWIZRR-MRXNPFEDSA-N 2 3 294.487 1.325 20 0 CDADHP CC(C)(C)[NH+]1CCC(N2CCC(C[NH3+])CC2)CC1 ZINC001246537243 948239436 /nfs/dbraw/zinc/23/94/36/948239436.db2.gz GSQUPOQZGLYZGF-UHFFFAOYSA-N 2 3 253.434 1.920 20 0 CDADHP [NH3+]C[C@@H]1CN(C2CCC3(CC[NH2+]C3)CC2)CCC1(F)F ZINC001246559853 948275327 /nfs/dbraw/zinc/27/53/27/948275327.db2.gz OFWYOSUFLLPQJC-IYXRBSQSSA-N 2 3 287.398 1.825 20 0 CDADHP CC(C)[C@H]1C[C@H](N2CC[C@H]3C[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001246625717 948361800 /nfs/dbraw/zinc/36/18/00/948361800.db2.gz SGRBBTMQRKLLMI-GBJTYRQASA-N 2 3 251.418 1.447 20 0 CDADHP CC(C)[C@@H]1C[C@H](N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC001246843386 948471041 /nfs/dbraw/zinc/47/10/41/948471041.db2.gz GCKBLZOOIUTQDD-XQLPTFJDSA-N 2 3 251.418 1.304 20 0 CDADHP C1[C@@H]2CCNC[C@@H]2C[N@@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246843430 948472448 /nfs/dbraw/zinc/47/24/48/948472448.db2.gz GGFMOZRWGUWSDX-LSDHHAIUSA-N 2 3 277.456 1.840 20 0 CDADHP C1[C@@H]2CCNC[C@@H]2C[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246843430 948472451 /nfs/dbraw/zinc/47/24/51/948472451.db2.gz GGFMOZRWGUWSDX-LSDHHAIUSA-N 2 3 277.456 1.840 20 0 CDADHP C1CC2(C[C@H]1[N@@H+]1C[C@H]3CCNC[C@H]3C1)CC[NH2+]CC2 ZINC001246844427 948473822 /nfs/dbraw/zinc/47/38/22/948473822.db2.gz JGAPNYLLRPFLQT-ILXRZTDVSA-N 2 3 263.429 1.450 20 0 CDADHP C1CC2(C[C@H]1[N@H+]1C[C@H]3CCNC[C@H]3C1)CC[NH2+]CC2 ZINC001246844427 948473826 /nfs/dbraw/zinc/47/38/26/948473826.db2.gz JGAPNYLLRPFLQT-ILXRZTDVSA-N 2 3 263.429 1.450 20 0 CDADHP C[C@H]1CC[C@H](N2CCN(CC3CC[NH+](C)CC3)CC2)C[NH2+]1 ZINC001246951259 948536664 /nfs/dbraw/zinc/53/66/64/948536664.db2.gz YHEKQYBWEFVRDU-RDJZCZTQSA-N 2 3 294.487 1.086 20 0 CDADHP CC[NH+](CC)C[C@@H](O)CNCC1CC[NH+](C2CCC2)CC1 ZINC001253214296 951814236 /nfs/dbraw/zinc/81/42/36/951814236.db2.gz ZHRHIJCMIMPVHW-KRWDZBQOSA-N 2 3 297.487 1.543 20 0 CDADHP C[C@@H]1C[N@H+](Cc2cc3c(s2)CCNC3)C[C@@H]1CC[NH3+] ZINC001552973539 964463214 /nfs/dbraw/zinc/46/32/14/964463214.db2.gz OEWGKWPMYXKVEI-NEPJUHHUSA-N 2 3 279.453 1.811 20 0 CDADHP C[C@@H]1C[N@@H+](Cc2cc3c(s2)CCNC3)C[C@@H]1CC[NH3+] ZINC001552973539 964463220 /nfs/dbraw/zinc/46/32/20/964463220.db2.gz OEWGKWPMYXKVEI-NEPJUHHUSA-N 2 3 279.453 1.811 20 0 CDADHP C[C@@H]1C[C@H](C[N@@H+]2C[C@H]3CCC[C@]3(CN)C2)CC[NH2+]1 ZINC001549088331 968005816 /nfs/dbraw/zinc/00/58/16/968005816.db2.gz RAHPXRKIDRVUOY-TUVASFSCSA-N 2 3 251.418 1.435 20 0 CDADHP C[C@@H]1C[C@H](C[N@H+]2C[C@H]3CCC[C@]3(CN)C2)CC[NH2+]1 ZINC001549088331 968005826 /nfs/dbraw/zinc/00/58/26/968005826.db2.gz RAHPXRKIDRVUOY-TUVASFSCSA-N 2 3 251.418 1.435 20 0 CDADHP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000422867829 359665975 /nfs/dbraw/zinc/66/59/75/359665975.db2.gz TVSRTBNWLVEDHJ-MCIONIFRSA-N 2 3 257.422 1.060 20 0 CDADHP NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423435491 359788640 /nfs/dbraw/zinc/78/86/40/359788640.db2.gz ZBOVRKCPNYPECP-AJNGGQMLSA-N 2 3 253.434 1.859 20 0 CDADHP C[NH+]1CCC(C)(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000335564604 360466379 /nfs/dbraw/zinc/46/63/79/360466379.db2.gz LEVLTYZODHRASY-PBWFPOADSA-N 2 3 251.418 1.591 20 0 CDADHP C[C@@H]([NH3+])C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000420303120 244053005 /nfs/dbraw/zinc/05/30/05/244053005.db2.gz WWLAJCFBLLCHHV-CQSZACIVSA-N 2 3 253.434 1.922 20 0 CDADHP [NH3+][C@@H]1CCO[C@H](C2CCN(C[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000581548560 373084803 /nfs/dbraw/zinc/08/48/03/373084803.db2.gz MGRYAIVGSXWLKM-IMJJTQAJSA-N 2 3 281.444 1.204 20 0 CDADHP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C[C@H]3CCCNC3)CC2)C1 ZINC000581548560 373084809 /nfs/dbraw/zinc/08/48/09/373084809.db2.gz MGRYAIVGSXWLKM-IMJJTQAJSA-N 2 3 281.444 1.204 20 0 CDADHP [NH3+]CC1(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647544573 390985631 /nfs/dbraw/zinc/98/56/31/390985631.db2.gz ZNZNNQNVHLNNMC-KBPBESRZSA-N 2 3 251.418 1.437 20 0 CDADHP CC(C)[N@H+](C)CC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411800 392196114 /nfs/dbraw/zinc/19/61/14/392196114.db2.gz DCQSXNGXBAZPNQ-OAHLLOKOSA-N 2 3 253.434 1.648 20 0 CDADHP CC(C)[N@@H+](C)CC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411800 392196117 /nfs/dbraw/zinc/19/61/17/392196117.db2.gz DCQSXNGXBAZPNQ-OAHLLOKOSA-N 2 3 253.434 1.648 20 0 CDADHP C[N@@H+]1CCC[C@H](N2CCN(CCC3CC[NH2+]CC3)CC2)C1 ZINC000649414595 392201452 /nfs/dbraw/zinc/20/14/52/392201452.db2.gz KISPENBKJJEUHJ-KRWDZBQOSA-N 2 3 294.487 1.088 20 0 CDADHP C[N@H+]1CCC[C@H](N2CCN(CCC3CC[NH2+]CC3)CC2)C1 ZINC000649414595 392201454 /nfs/dbraw/zinc/20/14/54/392201454.db2.gz KISPENBKJJEUHJ-KRWDZBQOSA-N 2 3 294.487 1.088 20 0 CDADHP C[C@H](NCCCC[N@H+](C)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000423165741 392403378 /nfs/dbraw/zinc/40/33/78/392403378.db2.gz QFOPGCQZFOSKLB-DZGCQCFKSA-N 2 3 253.434 1.981 20 0 CDADHP C[C@H](NCCCC[N@@H+](C)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000423165741 392403389 /nfs/dbraw/zinc/40/33/89/392403389.db2.gz QFOPGCQZFOSKLB-DZGCQCFKSA-N 2 3 253.434 1.981 20 0 CDADHP CCOC(=O)C1([C@@H](C)NCC[C@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000423354440 392538550 /nfs/dbraw/zinc/53/85/50/392538550.db2.gz FZKSZIFWGMTZQU-ZIAGYGMSSA-N 2 3 297.443 1.040 20 0 CDADHP C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665299677 414045354 /nfs/dbraw/zinc/04/53/54/414045354.db2.gz RFIARPODWFSNIT-IAOVAPTHSA-N 2 3 295.471 1.450 20 0 CDADHP c1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c2c(c1)CNCC2 ZINC000662274096 423833431 /nfs/dbraw/zinc/83/34/31/423833431.db2.gz RDCSZSGZCMFEMN-UHFFFAOYSA-N 2 3 285.435 1.908 20 0 CDADHP CN(C)CC[N@H+](C)CCCN(C)CC[C@@H]1CCC[NH+]1C ZINC000344033891 289132066 /nfs/dbraw/zinc/13/20/66/289132066.db2.gz GBEFWYOKBNXOFZ-INIZCTEOSA-N 2 3 284.492 1.286 20 0 CDADHP CN(C)CC[N@@H+](C)CCCN(C)CC[C@@H]1CCC[NH+]1C ZINC000344033891 289132068 /nfs/dbraw/zinc/13/20/68/289132068.db2.gz GBEFWYOKBNXOFZ-INIZCTEOSA-N 2 3 284.492 1.286 20 0 CDADHP CN(C)CC[NH+](C)CCCN(C)CC[C@@H]1CCC[N@@H+]1C ZINC000344033891 289132069 /nfs/dbraw/zinc/13/20/69/289132069.db2.gz GBEFWYOKBNXOFZ-INIZCTEOSA-N 2 3 284.492 1.286 20 0 CDADHP CN(C)CC[NH+](C)CCCN(C)CC[C@@H]1CCC[N@H+]1C ZINC000344033891 289132071 /nfs/dbraw/zinc/13/20/71/289132071.db2.gz GBEFWYOKBNXOFZ-INIZCTEOSA-N 2 3 284.492 1.286 20 0 CDADHP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)C1CNC1 ZINC000422874438 289950147 /nfs/dbraw/zinc/95/01/47/289950147.db2.gz CYFXYRDTSPZIBO-AWEZNQCLSA-N 2 3 253.434 1.696 20 0 CDADHP NC[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000423086010 295255874 /nfs/dbraw/zinc/25/58/74/295255874.db2.gz LEZWJOBNLYCYAG-ZFWWWQNUSA-N 2 3 251.418 1.578 20 0 CDADHP C[NH+](C)CCOc1cccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000563426743 316307541 /nfs/dbraw/zinc/30/75/41/316307541.db2.gz WKMULEOGJGLDTQ-HZPDHXFCSA-N 2 3 291.439 1.987 20 0 CDADHP C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)C1CC[NH+](C)CC1 ZINC000669618848 483212101 /nfs/dbraw/zinc/21/21/01/483212101.db2.gz HVYSZBJODSXDCD-HNNXBMFYSA-N 2 3 296.503 1.332 20 0 CDADHP [NH3+][C@@H]1C[C@@H](NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C12CCC2 ZINC000925727880 617979906 /nfs/dbraw/zinc/97/99/06/617979906.db2.gz BMENSISZZGRTPC-BFHYXJOUSA-N 2 3 279.428 1.005 20 0 CDADHP N[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C12CCC2 ZINC000925727880 617979910 /nfs/dbraw/zinc/97/99/10/617979910.db2.gz BMENSISZZGRTPC-BFHYXJOUSA-N 2 3 279.428 1.005 20 0 CDADHP C[C@@H]1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1C[NH3+] ZINC000903757731 626088348 /nfs/dbraw/zinc/08/83/48/626088348.db2.gz GPELQEDUZYOJHF-RBSFLKMASA-N 2 3 281.444 1.062 20 0 CDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC1CC[NH+](CC)CC1 ZINC000848996012 738333163 /nfs/dbraw/zinc/33/31/63/738333163.db2.gz ACURGWASNFPRGU-OAHLLOKOSA-N 2 3 295.475 1.317 20 0 CDADHP [NH3+]C[C@H]1CC[C@H](CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925700018 737994585 /nfs/dbraw/zinc/99/45/85/737994585.db2.gz MVMQBCGUFOQOHE-ZNHNDWKLSA-N 2 3 263.429 1.338 20 0 CDADHP N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817948644 738338765 /nfs/dbraw/zinc/33/87/65/738338765.db2.gz JDGVYRKDVXOVKN-HOTGVXAUSA-N 2 3 261.413 1.937 20 0 CDADHP [NH3+]C1CCN(c2cccc(N[C@H]3CCC[C@H]([NH3+])C3)n2)CC1 ZINC001154986206 937616602 /nfs/dbraw/zinc/61/66/02/937616602.db2.gz FZOAWICJVAUTNT-KBPBESRZSA-N 2 3 289.427 1.691 20 0 CDADHP CC[NH+]1CCC(C[N@@H+]2CCCC[C@@H](CN)C2)CC1 ZINC001206606599 940069546 /nfs/dbraw/zinc/06/95/46/940069546.db2.gz QZIBEZTXEPNVAJ-HNNXBMFYSA-N 2 3 253.434 1.779 20 0 CDADHP CC[NH+]1CCC(C[N@H+]2CCCC[C@@H](CN)C2)CC1 ZINC001206606599 940069548 /nfs/dbraw/zinc/06/95/48/940069548.db2.gz QZIBEZTXEPNVAJ-HNNXBMFYSA-N 2 3 253.434 1.779 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC001246107525 947956227 /nfs/dbraw/zinc/95/62/27/947956227.db2.gz CADHPYMJLCKFFG-DZUCGIPZSA-N 2 3 273.424 1.925 20 0 CDADHP C[C@@H]1CC[N@@H+](C2CCC3(C[NH2+]C3)CC2)C[C@@H]1CN ZINC001246551421 948256619 /nfs/dbraw/zinc/25/66/19/948256619.db2.gz MTDALXDQGKNOJQ-OLZOCXBDSA-N 2 3 251.418 1.435 20 0 CDADHP C[C@@H]1CC[N@H+](C2CCC3(C[NH2+]C3)CC2)C[C@@H]1CN ZINC001246551421 948256627 /nfs/dbraw/zinc/25/66/27/948256627.db2.gz MTDALXDQGKNOJQ-OLZOCXBDSA-N 2 3 251.418 1.435 20 0 CDADHP [NH3+]C[C@]1(F)CCCCN([C@@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246581493 948309455 /nfs/dbraw/zinc/30/94/55/948309455.db2.gz QAVCNUVJUZCOIN-TZMCWYRMSA-N 2 3 255.381 1.281 20 0 CDADHP N[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC001552376848 964211541 /nfs/dbraw/zinc/21/15/41/964211541.db2.gz VZEZQKQLZJGNTK-CVEARBPZSA-N 2 3 259.397 1.692 20 0 CDADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC001553027667 964493439 /nfs/dbraw/zinc/49/34/39/964493439.db2.gz ZGYXEQSGIVPAPT-PCGVCOGMSA-N 2 3 265.445 1.870 20 0 CDADHP C[C@@H]1C[NH2+]CC[C@@H]1CN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629655707 363259079 /nfs/dbraw/zinc/25/90/79/363259079.db2.gz YBRBCUKPQIFZKN-FDYHWXHSSA-N 2 3 293.377 1.691 20 0 CDADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CN)C1 ZINC000629655707 363259085 /nfs/dbraw/zinc/25/90/85/363259085.db2.gz YBRBCUKPQIFZKN-FDYHWXHSSA-N 2 3 293.377 1.691 20 0 CDADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CN)C1 ZINC000629655707 363259089 /nfs/dbraw/zinc/25/90/89/363259089.db2.gz YBRBCUKPQIFZKN-FDYHWXHSSA-N 2 3 293.377 1.691 20 0 CDADHP CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422867275 359665898 /nfs/dbraw/zinc/66/58/98/359665898.db2.gz RXFNCNQNZUJADJ-QLFBSQMISA-N 2 3 271.449 1.593 20 0 CDADHP CC[NH+](CC)CCOCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423040413 359745139 /nfs/dbraw/zinc/74/51/39/359745139.db2.gz UFVMWWXYSICNFX-BRWVUGGUSA-N 2 3 297.487 1.855 20 0 CDADHP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCOCC[NH+](C)C ZINC000235113689 296000594 /nfs/dbraw/zinc/00/05/94/296000594.db2.gz XTDIWBKGTCLMGW-GJZGRUSLSA-N 2 3 271.449 1.465 20 0 CDADHP [NH3+]C[C@@H]1CCC[C@@H]1NCc1cccc2c1CC[NH2+]C2 ZINC000635007599 360658361 /nfs/dbraw/zinc/65/83/61/360658361.db2.gz FBMQMJXUGPUEPR-LRDDRELGSA-N 2 3 259.397 1.549 20 0 CDADHP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000643536648 361213944 /nfs/dbraw/zinc/21/39/44/361213944.db2.gz UAMPHIATTIRWFJ-CWRNSKLLSA-N 2 3 273.424 1.677 20 0 CDADHP CC[NH+]1CCN(c2ccccc2CNCC[C@@H](C)[NH3+])CC1 ZINC000414819215 366955141 /nfs/dbraw/zinc/95/51/41/366955141.db2.gz HAAVRQIFXNKBLN-OAHLLOKOSA-N 2 3 290.455 1.655 20 0 CDADHP CCN(CC)C[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420325775 376339516 /nfs/dbraw/zinc/33/95/16/376339516.db2.gz WSXMYNPTOAICRB-GJZGRUSLSA-N 2 3 253.434 1.650 20 0 CDADHP CCN(CC)C[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420325775 376339519 /nfs/dbraw/zinc/33/95/19/376339519.db2.gz WSXMYNPTOAICRB-GJZGRUSLSA-N 2 3 253.434 1.650 20 0 CDADHP CC[NH+](CC)C[C@@H]1CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000420325775 376339525 /nfs/dbraw/zinc/33/95/25/376339525.db2.gz WSXMYNPTOAICRB-GJZGRUSLSA-N 2 3 253.434 1.650 20 0 CDADHP C(C[N@@H+]1CC[C@@H](CN2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000420311444 533365765 /nfs/dbraw/zinc/36/57/65/533365765.db2.gz HBYQMUTXQDVHQT-GJZGRUSLSA-N 2 3 251.418 1.404 20 0 CDADHP C(C[N@H+]1CC[C@@H](CN2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000420311444 533365769 /nfs/dbraw/zinc/36/57/69/533365769.db2.gz HBYQMUTXQDVHQT-GJZGRUSLSA-N 2 3 251.418 1.404 20 0 CDADHP C(CN1CC[C@@H](C[NH+]2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000420311444 533365777 /nfs/dbraw/zinc/36/57/77/533365777.db2.gz HBYQMUTXQDVHQT-GJZGRUSLSA-N 2 3 251.418 1.404 20 0 CDADHP C(CN1CCC[C@@H]1C[NH+]1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000420323721 397700460 /nfs/dbraw/zinc/70/04/60/397700460.db2.gz UPVSZQCLMBDUAR-HZPDHXFCSA-N 2 3 265.445 1.936 20 0 CDADHP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662260579 414594906 /nfs/dbraw/zinc/59/49/06/414594906.db2.gz POVAYWBYCKSFPL-INIZCTEOSA-N 2 3 295.471 1.560 20 0 CDADHP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662260579 414594910 /nfs/dbraw/zinc/59/49/10/414594910.db2.gz POVAYWBYCKSFPL-INIZCTEOSA-N 2 3 295.471 1.560 20 0 CDADHP C[NH+](C)C1CCN(CCN[C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422820570 289069199 /nfs/dbraw/zinc/06/91/99/289069199.db2.gz RHJNULHGCAUWLS-HZPDHXFCSA-N 2 3 282.476 1.262 20 0 CDADHP C[C@H]([NH2+][C@H]1CCN2CCC[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000130249741 538440849 /nfs/dbraw/zinc/44/08/49/538440849.db2.gz PVWBONURCMIBDI-CWRNSKLLSA-N 2 3 265.445 1.933 20 0 CDADHP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2CCN(C3CC3)C2)C1 ZINC000902339038 624670635 /nfs/dbraw/zinc/67/06/35/624670635.db2.gz PZMNDSOBNJTSPZ-KGLIPLIRSA-N 2 3 265.445 1.839 20 0 CDADHP c1ccc2c(c1)C[NH2+]CC21CCN(C2CC[NH2+]CC2)CC1 ZINC000205300130 1173936619 /nfs/dbraw/zinc/93/66/19/1173936619.db2.gz ISUNOVDLVJBJFW-UHFFFAOYSA-N 2 3 285.435 1.875 20 0 CDADHP C[NH+](C)CC1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000700329867 742037793 /nfs/dbraw/zinc/03/77/93/742037793.db2.gz XKKINXODDPPJCT-HNNXBMFYSA-N 2 3 253.434 1.650 20 0 CDADHP C[C@@H](NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCC[NH2+]1 ZINC000873260693 742701698 /nfs/dbraw/zinc/70/16/98/742701698.db2.gz FVJNNGYLFNXQLH-QMIVOQANSA-N 2 3 251.418 1.637 20 0 CDADHP CCN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161340682 938892970 /nfs/dbraw/zinc/89/29/70/938892970.db2.gz SHPABUFNRNZGER-CABCVRRESA-N 2 3 298.475 1.083 20 0 CDADHP CCN(CC)CCNC(=[NH2+])Nc1ccc2c(n1)CC[NH2+]C2 ZINC001163122678 939205631 /nfs/dbraw/zinc/20/56/31/939205631.db2.gz PMVAUWOLELXFRY-UHFFFAOYSA-N 2 3 290.415 1.005 20 0 CDADHP C[C@H]1C[NH2+]CCN(CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001206269778 940008908 /nfs/dbraw/zinc/00/89/08/940008908.db2.gz WBPFJDIHIIWTPX-ZDUSSCGKSA-N 2 3 251.418 1.308 20 0 CDADHP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2C[C@H]1CCC[N@H+](C)C1 ZINC001276497897 940100562 /nfs/dbraw/zinc/10/05/62/940100562.db2.gz PPUQPDUPEMIWRG-YESZJQIVSA-N 2 3 294.487 1.038 20 0 CDADHP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2C[C@H]1CCC[N@@H+](C)C1 ZINC001276497897 940100565 /nfs/dbraw/zinc/10/05/65/940100565.db2.gz PPUQPDUPEMIWRG-YESZJQIVSA-N 2 3 294.487 1.038 20 0 CDADHP C([C@@H]1CC[NH2+]C1)N1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235234267 944100420 /nfs/dbraw/zinc/10/04/20/944100420.db2.gz WYTPNESZHVLNSW-HIFRSBDPSA-N 2 3 251.418 1.450 20 0 CDADHP C[C@@H]1C[NH2+]C[C@H](C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC001246100669 947952009 /nfs/dbraw/zinc/95/20/09/947952009.db2.gz OUARXFXPZRKXTD-BLNMRFBMSA-N 2 3 265.445 1.837 20 0 CDADHP C[C@@H]1C[C@H]([NH2+]CC2CC3(C2)CC[NH2+]CC3)CCN1 ZINC001246123714 947972513 /nfs/dbraw/zinc/97/25/13/947972513.db2.gz ARFOGJXFOAVJQW-TZMCWYRMSA-N 2 3 251.418 1.496 20 0 CDADHP C(N[C@@H]1CCCC[NH2+]C1)C1CC2(C1)CC[NH2+]CC2 ZINC001246126072 947972689 /nfs/dbraw/zinc/97/26/89/947972689.db2.gz KNKZOEHRLYVAAA-CQSZACIVSA-N 2 3 251.418 1.498 20 0 CDADHP C[C@H]1C[C@H]([NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246136103 947979444 /nfs/dbraw/zinc/97/94/44/947979444.db2.gz UCJQLZHCPUTJTL-BFHYXJOUSA-N 2 3 251.418 1.639 20 0 CDADHP CC[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CCN1 ZINC001246144396 947987509 /nfs/dbraw/zinc/98/75/09/947987509.db2.gz LTWLKUVHUGLZCB-CWVYHPPDSA-N 2 3 265.445 1.742 20 0 CDADHP CCCC[C@@H]1C[C@H](N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC001246257033 948059067 /nfs/dbraw/zinc/05/90/67/948059067.db2.gz RBJSZBVSSJGJEW-QBPKDAKJSA-N 2 3 295.471 1.798 20 0 CDADHP [NH3+]CCCNCCC[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC001246454419 948182537 /nfs/dbraw/zinc/18/25/37/948182537.db2.gz SGHWHKLBGDPSEI-IAGOWNOFSA-N 2 3 290.455 1.398 20 0 CDADHP C1=C[C@H](NC2CCC3(CCC[NH2+]C3)CC2)[C@@H]2C[NH2+]C[C@@H]12 ZINC001246473041 948192918 /nfs/dbraw/zinc/19/29/18/948192918.db2.gz IRCXTFONYGHKSV-RPSHWRLHSA-N 2 3 275.440 1.662 20 0 CDADHP [NH3+]C[C@H]1CN([C@H]2CCC3(C2)CC[NH2+]CC3)CCC1(F)F ZINC001246565926 948282074 /nfs/dbraw/zinc/28/20/74/948282074.db2.gz ZYGVMAWYNPCAAP-STQMWFEESA-N 2 3 287.398 1.825 20 0 CDADHP CC1(C)C[C@@H]([N@@H+]2CCC[C@@](C)(C[NH3+])CC2)CCN1 ZINC001246573966 948295383 /nfs/dbraw/zinc/29/53/83/948295383.db2.gz HDBKZYFBHYQCTO-DZGCQCFKSA-N 2 3 253.434 1.968 20 0 CDADHP CC1(C)C[C@@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CCN1 ZINC001246573966 948295389 /nfs/dbraw/zinc/29/53/89/948295389.db2.gz HDBKZYFBHYQCTO-DZGCQCFKSA-N 2 3 253.434 1.968 20 0 CDADHP CC(C)[C@H]1C[C@H](N2CCC(N3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246884376 948501671 /nfs/dbraw/zinc/50/16/71/948501671.db2.gz ALUIVJYONPTMSC-IAGOWNOFSA-N 2 3 294.487 1.133 20 0 CDADHP N[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC[NH2+]CC2)C12CCC2 ZINC001553024667 964487790 /nfs/dbraw/zinc/48/77/90/964487790.db2.gz MZYQHSOFXVLNOG-KBXIAJHMSA-N 2 3 279.428 1.003 20 0 CDADHP [NH3+][C@@H]1C[C@H](N[C@@H]2CCO[C@H]2C2CC[NH2+]CC2)C12CCC2 ZINC001553024667 964487791 /nfs/dbraw/zinc/48/77/91/964487791.db2.gz MZYQHSOFXVLNOG-KBXIAJHMSA-N 2 3 279.428 1.003 20 0 CDADHP [NH3+]CC1(c2ccccc2)CC(N[C@@H]2CCC[C@H]2[NH3+])C1 ZINC001550944152 966298402 /nfs/dbraw/zinc/29/84/02/966298402.db2.gz JYFKUMJBEXXPFH-LVDPKSTMSA-N 2 3 259.397 1.515 20 0 CDADHP C[C@H](NC1CC(C[NH3+])(c2ccccc2)C1)C1([NH3+])CC1 ZINC001551376786 966587884 /nfs/dbraw/zinc/58/78/84/966587884.db2.gz NPXAGPITZGDCOP-GRTSSRMGSA-N 2 3 259.397 1.515 20 0 CDADHP CC(C)[C@H](CN)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000634991451 360617880 /nfs/dbraw/zinc/61/78/80/360617880.db2.gz DZXHIVQYGFDKCP-CYBMUJFWSA-N 2 3 257.422 1.047 20 0 CDADHP CC(C)[C@H](C[NH3+])CN1CCC(OCCC[NH3+])CC1 ZINC000634991451 360617882 /nfs/dbraw/zinc/61/78/82/360617882.db2.gz DZXHIVQYGFDKCP-CYBMUJFWSA-N 2 3 257.422 1.047 20 0 CDADHP CC(C)[C@@H](CN)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000634996197 360624701 /nfs/dbraw/zinc/62/47/01/360624701.db2.gz CLCNMWYEKQGNOK-KBPBESRZSA-N 2 3 253.434 1.681 20 0 CDADHP CC(C)[C@@H](CN)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000634996197 360624704 /nfs/dbraw/zinc/62/47/04/360624704.db2.gz CLCNMWYEKQGNOK-KBPBESRZSA-N 2 3 253.434 1.681 20 0 CDADHP C[C@@H]([NH2+]C[C@@]1(C)CCCNC1)C1CC[NH+](C)CC1 ZINC000643518480 360948821 /nfs/dbraw/zinc/94/88/21/360948821.db2.gz NUDUQECJFSDUEI-HIFRSBDPSA-N 2 3 253.434 1.696 20 0 CDADHP C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422719801 245178617 /nfs/dbraw/zinc/17/86/17/245178617.db2.gz RMZYQKPXVKDTMQ-YESZJQIVSA-N 2 3 297.487 1.985 20 0 CDADHP C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000581256133 372902859 /nfs/dbraw/zinc/90/28/59/372902859.db2.gz NHAWOCAAFNNNJW-JSGCOSHPSA-N 2 3 259.397 1.501 20 0 CDADHP C(CN1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC000334991306 391992338 /nfs/dbraw/zinc/99/23/38/391992338.db2.gz DCENOQRPBIMODP-CABCVRRESA-N 2 3 251.418 1.452 20 0 CDADHP CC[NH+](CC)CC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000649411564 392196302 /nfs/dbraw/zinc/19/63/02/392196302.db2.gz GPPDBHKPKKJPCV-HNNXBMFYSA-N 2 3 253.434 1.650 20 0 CDADHP [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc4c(c3)C[NH2+]CC4)C[C@H]12 ZINC000568050978 392343693 /nfs/dbraw/zinc/34/36/93/392343693.db2.gz QGRPNEHCGXBLQE-BHYGNILZSA-N 2 3 271.408 1.501 20 0 CDADHP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCC1=CC[NH2+]CC1 ZINC000423340631 296626217 /nfs/dbraw/zinc/62/62/17/296626217.db2.gz BYXNQJDBFCAKOM-WMZOPIPTSA-N 2 3 299.418 1.752 20 0 CDADHP CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000576943481 317235663 /nfs/dbraw/zinc/23/56/63/317235663.db2.gz KGUQNJSVSBJDCP-QGZVFWFLSA-N 2 3 296.503 1.463 20 0 CDADHP CC(C)N1CCN(CCC[N@H+]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000576943481 317235666 /nfs/dbraw/zinc/23/56/66/317235666.db2.gz KGUQNJSVSBJDCP-QGZVFWFLSA-N 2 3 296.503 1.463 20 0 CDADHP [NH3+]CC[C@H]1CCCCN1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903748845 626071469 /nfs/dbraw/zinc/07/14/69/626071469.db2.gz BPGRAJXFCYFIBD-CABCVRRESA-N 2 3 281.444 1.348 20 0 CDADHP C[NH+](C)CCOc1ccc(CNCCC(C)(C)[NH3+])cc1 ZINC000903938925 626151742 /nfs/dbraw/zinc/15/17/42/626151742.db2.gz QOHAPNBGIUAASP-UHFFFAOYSA-N 2 3 279.428 1.844 20 0 CDADHP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cc4c(s3)CC[NH2+]C4)C[C@H]21 ZINC000873200494 746057343 /nfs/dbraw/zinc/05/73/43/746057343.db2.gz BHNWVXWTHKQEHR-KCPJHIHWSA-N 2 3 291.464 1.953 20 0 CDADHP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)C[NH2+]1 ZINC001246095593 930981903 /nfs/dbraw/zinc/98/19/03/930981903.db2.gz LIRYCBONCMFMOH-JKJDWNRSSA-N 2 3 265.445 1.979 20 0 CDADHP N[C@H](CCC[NH3+])C(=O)Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001218972094 941295587 /nfs/dbraw/zinc/29/55/87/941295587.db2.gz GGIJFZDDHMICNK-CYBMUJFWSA-N 2 3 276.384 1.029 20 0 CDADHP CC1(C[N@@H+]2CC[C@]3(C2)CCCNC3)CC[NH2+]CC1 ZINC001222141620 941568780 /nfs/dbraw/zinc/56/87/80/941568780.db2.gz OKTFLYPZMAHXGK-OAHLLOKOSA-N 2 3 251.418 1.452 20 0 CDADHP CC1(C[N@H+]2CC[C@]3(C2)CCCNC3)CC[NH2+]CC1 ZINC001222141620 941568782 /nfs/dbraw/zinc/56/87/82/941568782.db2.gz OKTFLYPZMAHXGK-OAHLLOKOSA-N 2 3 251.418 1.452 20 0 CDADHP CC1(C[N@@H+]2CCC[C@@]3(CCCNC3)C2)CC[NH2+]CC1 ZINC001222259707 941579762 /nfs/dbraw/zinc/57/97/62/941579762.db2.gz XPVUOZGIHQKBTF-MRXNPFEDSA-N 2 3 265.445 1.842 20 0 CDADHP CC1(C[N@H+]2CCC[C@@]3(CCCNC3)C2)CC[NH2+]CC1 ZINC001222259707 941579763 /nfs/dbraw/zinc/57/97/63/941579763.db2.gz XPVUOZGIHQKBTF-MRXNPFEDSA-N 2 3 265.445 1.842 20 0 CDADHP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(CCCC[NH3+])C2 ZINC001235545440 944195256 /nfs/dbraw/zinc/19/52/56/944195256.db2.gz CBARJYCPLDVJLE-SJORKVTESA-N 2 3 295.471 1.406 20 0 CDADHP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(CCCC[NH3+])C2 ZINC001235545440 944195261 /nfs/dbraw/zinc/19/52/61/944195261.db2.gz CBARJYCPLDVJLE-SJORKVTESA-N 2 3 295.471 1.406 20 0 CDADHP CCCC[C@@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)CCN1 ZINC001246072730 947925171 /nfs/dbraw/zinc/92/51/71/947925171.db2.gz KQVQQFZNBKRGQB-HUUCEWRRSA-N 2 3 253.434 1.886 20 0 CDADHP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246079284 947929811 /nfs/dbraw/zinc/92/98/11/947929811.db2.gz DATMSNUNBPOHHL-SOUVJXGZSA-N 2 3 289.439 1.149 20 0 CDADHP CC(C)(C)[C@@H]1C[C@H](N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC001246257445 948061301 /nfs/dbraw/zinc/06/13/01/948061301.db2.gz SYORKZINALPHTH-WBTNSWJXSA-N 2 3 295.471 1.654 20 0 CDADHP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCN1 ZINC001246364561 948137780 /nfs/dbraw/zinc/13/77/80/948137780.db2.gz IDTDDIHRNBHXPG-GDBMZVCRSA-N 2 3 295.471 1.608 20 0 CDADHP CCC1(C[NH2+][C@H]2CCNC(C)(C)C2)CC[NH2+]CC1 ZINC001246425833 948167903 /nfs/dbraw/zinc/16/79/03/948167903.db2.gz ZSRFXARNOBJVTC-ZDUSSCGKSA-N 2 3 253.434 1.886 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](C[NH3+])C2)C[C@H](C)N1 ZINC001246457652 948185097 /nfs/dbraw/zinc/18/50/97/948185097.db2.gz PJFLECCZSQMWSM-QKGCVVFFSA-N 2 3 253.434 1.870 20 0 CDADHP CC[C@@H]1C[C@H](N2CCC[C@](F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246552218 948259711 /nfs/dbraw/zinc/25/97/11/948259711.db2.gz SZHZCLYQWOVJGD-MGPQQGTHSA-N 2 3 257.397 1.670 20 0 CDADHP C1NCC12C[C@@H]([NH+]1CCC([C@H]3CCCC[NH2+]3)CC1)CCO2 ZINC001246656879 948393243 /nfs/dbraw/zinc/39/32/43/948393243.db2.gz OKUGGVHRQFGUAA-JKSUJKDBSA-N 2 3 293.455 1.362 20 0 CDADHP C[C@H]1C[C@H]([N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CCN1 ZINC001246679903 948403527 /nfs/dbraw/zinc/40/35/27/948403527.db2.gz ZLTIDLJBIVNCKP-YHUYYLMFSA-N 2 3 265.445 1.839 20 0 CDADHP C[C@H]1C[C@H]([N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CCN1 ZINC001246679903 948403530 /nfs/dbraw/zinc/40/35/30/948403530.db2.gz ZLTIDLJBIVNCKP-YHUYYLMFSA-N 2 3 265.445 1.839 20 0 CDADHP C1[C@H]2CNCC[C@@H]2C[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246843425 948472246 /nfs/dbraw/zinc/47/22/46/948472246.db2.gz GGFMOZRWGUWSDX-HUUCEWRRSA-N 2 3 277.456 1.840 20 0 CDADHP C1[C@H]2CNCC[C@@H]2C[N@@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246843425 948472250 /nfs/dbraw/zinc/47/22/50/948472250.db2.gz GGFMOZRWGUWSDX-HUUCEWRRSA-N 2 3 277.456 1.840 20 0 CDADHP CCN(C)C[C@H]1CC[N@H+](CC2CC[NH+](CC)CC2)C1 ZINC001560666376 971865960 /nfs/dbraw/zinc/86/59/60/971865960.db2.gz WOADJMNCZDJFIL-MRXNPFEDSA-N 2 3 267.461 1.992 20 0 CDADHP CCN(C)C[C@H]1CC[N@@H+](CC2CC[NH+](CC)CC2)C1 ZINC001560666376 971865965 /nfs/dbraw/zinc/86/59/65/971865965.db2.gz WOADJMNCZDJFIL-MRXNPFEDSA-N 2 3 267.461 1.992 20 0 CDADHP N[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC001552414201 964231639 /nfs/dbraw/zinc/23/16/39/964231639.db2.gz CDQMEQKCQFQFCP-CVEARBPZSA-N 2 3 259.397 1.692 20 0 CDADHP CC(C)(C)N1CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000094010301 342062207 /nfs/dbraw/zinc/06/22/07/342062207.db2.gz HYHRFFRQERNBNY-UHFFFAOYSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@@H]1C[NH2+]CC[C@@H]1C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000634734142 358072906 /nfs/dbraw/zinc/07/29/06/358072906.db2.gz XXQQSRVQASDQQZ-MCIONIFRSA-N 2 3 253.434 1.600 20 0 CDADHP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](CN)[C@@H](C)C[C@H]2C)CC[NH2+]1 ZINC000422560121 359643009 /nfs/dbraw/zinc/64/30/09/359643009.db2.gz FRNJSHGQSMUFNM-JARUQAPTSA-N 2 3 253.434 1.680 20 0 CDADHP C[C@@H]1C[C@H](C[N@H+]2C[C@H](CN)[C@@H](C)C[C@H]2C)CC[NH2+]1 ZINC000422560121 359643014 /nfs/dbraw/zinc/64/30/14/359643014.db2.gz FRNJSHGQSMUFNM-JARUQAPTSA-N 2 3 253.434 1.680 20 0 CDADHP CCCN1CCC([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422775778 245241973 /nfs/dbraw/zinc/24/19/73/245241973.db2.gz CHAXVOYZKDVYHM-UKRRQHHQSA-N 2 3 253.434 1.839 20 0 CDADHP CCCC[N@H+](C)CC1CC[NH+](C[C@@](C)(O)CNC)CC1 ZINC000577759591 372112127 /nfs/dbraw/zinc/11/21/27/372112127.db2.gz OLXHCSNWTPEJBH-INIZCTEOSA-N 2 3 285.476 1.401 20 0 CDADHP CCCC[N@@H+](C)CC1CC[NH+](C[C@@](C)(O)CNC)CC1 ZINC000577759591 372112128 /nfs/dbraw/zinc/11/21/28/372112128.db2.gz OLXHCSNWTPEJBH-INIZCTEOSA-N 2 3 285.476 1.401 20 0 CDADHP C[C@H]1CCCC[N@@H+]1CCCCNC[C@@H](O)C[NH+](C)C1CC1 ZINC000584405705 373723094 /nfs/dbraw/zinc/72/30/94/373723094.db2.gz WVWUQMPUTJKYDA-DOTOQJQBSA-N 2 3 297.487 1.686 20 0 CDADHP C[C@H]1CCCC[N@H+]1CCCCNC[C@@H](O)C[NH+](C)C1CC1 ZINC000584405705 373723098 /nfs/dbraw/zinc/72/30/98/373723098.db2.gz WVWUQMPUTJKYDA-DOTOQJQBSA-N 2 3 297.487 1.686 20 0 CDADHP C[C@H]1CCCC[NH+]1CCCCNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000584405705 373723101 /nfs/dbraw/zinc/72/31/01/373723101.db2.gz WVWUQMPUTJKYDA-DOTOQJQBSA-N 2 3 297.487 1.686 20 0 CDADHP C[C@H]1CCCC[NH+]1CCCCNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000584405705 373723102 /nfs/dbraw/zinc/72/31/02/373723102.db2.gz WVWUQMPUTJKYDA-DOTOQJQBSA-N 2 3 297.487 1.686 20 0 CDADHP C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000647509933 390976101 /nfs/dbraw/zinc/97/61/01/390976101.db2.gz ZMJCZTZEMZLNDT-GDBMZVCRSA-N 2 3 291.439 1.796 20 0 CDADHP c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc2c1CNC2 ZINC000647799916 391662574 /nfs/dbraw/zinc/66/25/74/391662574.db2.gz UEVQADDMCTVUOD-BHYGNILZSA-N 2 3 271.408 1.768 20 0 CDADHP C[NH+](C)C1CCN(CCN[C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422820569 289070234 /nfs/dbraw/zinc/07/02/34/289070234.db2.gz RHJNULHGCAUWLS-HOTGVXAUSA-N 2 3 282.476 1.262 20 0 CDADHP CC(C)N1CCC([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000335061484 150244724 /nfs/dbraw/zinc/24/47/24/150244724.db2.gz WKTUAMZKQFCWMX-UKRRQHHQSA-N 2 3 253.434 1.837 20 0 CDADHP C[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)[C@H]1CCCC[NH2+]1 ZINC000422982875 287022474 /nfs/dbraw/zinc/02/24/74/287022474.db2.gz XXOYUJCQBMHYOK-BZUAXINKSA-N 2 3 283.460 1.344 20 0 CDADHP C[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)[C@H]1CCCC[NH2+]1 ZINC000422982875 287022475 /nfs/dbraw/zinc/02/24/75/287022475.db2.gz XXOYUJCQBMHYOK-BZUAXINKSA-N 2 3 283.460 1.344 20 0 CDADHP [NH3+][C@@H]1CCC[C@@H](NCc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000656786569 413663634 /nfs/dbraw/zinc/66/36/34/413663634.db2.gz NPVPXKNAEGRGBS-HZPDHXFCSA-N 2 3 259.397 1.692 20 0 CDADHP NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333846006 303400727 /nfs/dbraw/zinc/40/07/27/303400727.db2.gz PDKOSOBWBQSNBR-AHDPXTMNSA-N 2 3 251.418 1.482 20 0 CDADHP C[NH+](C)CCOc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000563944746 316401609 /nfs/dbraw/zinc/40/16/09/316401609.db2.gz UOXWLUPLZLMAGL-CVEARBPZSA-N 2 3 291.439 1.987 20 0 CDADHP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)C1CC[NH2+]CC1 ZINC000581720341 324821309 /nfs/dbraw/zinc/82/13/09/324821309.db2.gz LIRHBLIMPYQPCL-BZUAXINKSA-N 2 3 265.445 1.886 20 0 CDADHP C(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)CN1CCCC1 ZINC000401051726 482531189 /nfs/dbraw/zinc/53/11/89/482531189.db2.gz YMNIRMXBXKJIBE-SOUVJXGZSA-N 2 3 251.418 1.450 20 0 CDADHP CC[C@@H]1CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[C@@H]1[NH3+] ZINC000903746901 626071404 /nfs/dbraw/zinc/07/14/04/626071404.db2.gz NGSSRXMFQVOVQX-ILXRZTDVSA-N 2 3 281.444 1.204 20 0 CDADHP C[NH+](C)CCOC1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904316877 626248486 /nfs/dbraw/zinc/24/84/86/626248486.db2.gz AIAKUJNFLRTEET-MRXNPFEDSA-N 2 3 283.460 1.419 20 0 CDADHP CC(C)(C)[C@]1(C[NH3+])CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923413506 750615628 /nfs/dbraw/zinc/61/56/28/750615628.db2.gz GNPQHKYMFFARKW-CJNGLKHVSA-N 2 3 281.444 1.062 20 0 CDADHP CN1CCC(O)(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925610929 753512683 /nfs/dbraw/zinc/51/26/83/753512683.db2.gz IXGUUSQFKJZVQL-MRXNPFEDSA-N 2 3 291.439 1.513 20 0 CDADHP C[NH2+]C[C@@H]1CCCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923280491 753571526 /nfs/dbraw/zinc/57/15/26/753571526.db2.gz AZRYTCVHMPZRNR-PNRVRQOCSA-N 2 3 265.445 1.839 20 0 CDADHP C[C@@H]1CC[C@H](CNC2CCC3(C[NH2+]C3)CC2)[NH2+]C1 ZINC001246102394 931012574 /nfs/dbraw/zinc/01/25/74/931012574.db2.gz DOWQSUOPGQWEEY-TZMCWYRMSA-N 2 3 251.418 1.496 20 0 CDADHP N[C@@H]1CCC[N@@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246546700 931679718 /nfs/dbraw/zinc/67/97/18/931679718.db2.gz NJEBJOFBHYXMSU-ILXRZTDVSA-N 2 3 251.418 1.722 20 0 CDADHP N[C@@H]1CCC[N@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246546700 931679722 /nfs/dbraw/zinc/67/97/22/931679722.db2.gz NJEBJOFBHYXMSU-ILXRZTDVSA-N 2 3 251.418 1.722 20 0 CDADHP CN(CCC1CC[NH2+]CC1)CC[C@H]1CCCC[NH2+]1 ZINC001235715799 944259842 /nfs/dbraw/zinc/25/98/42/944259842.db2.gz XFLGYVIIWSVGLZ-OAHLLOKOSA-N 2 3 253.434 1.840 20 0 CDADHP C[C@H]1CC[NH2+]C[C@H]1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001246116505 947967009 /nfs/dbraw/zinc/96/70/09/947967009.db2.gz WIRSXLFNGKATAL-JUVOFCAFSA-N 2 3 295.471 1.465 20 0 CDADHP CC(C)(C)[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H]3C[NH2+]C[C@H]23)CCN1 ZINC001246134359 947979633 /nfs/dbraw/zinc/97/96/33/947979633.db2.gz UBZVDTAALWJWAO-RBGFHDKUSA-N 2 3 279.472 1.988 20 0 CDADHP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCOC23CC[NH2+]CC3)CCN1 ZINC001246135548 947979751 /nfs/dbraw/zinc/97/97/51/947979751.db2.gz BCCVYJWTVHXDTC-QLFBSQMISA-N 2 3 281.444 1.265 20 0 CDADHP CC[C@@H]1CC(N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)C[C@@H](CC)[NH2+]1 ZINC001246254972 948058896 /nfs/dbraw/zinc/05/88/96/948058896.db2.gz IEGQNJXZNXXTCJ-JHNDHUHGSA-N 2 3 295.471 1.796 20 0 CDADHP C[C@@H]1CC[C@H](N[C@H]2CCOC3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246256059 948060311 /nfs/dbraw/zinc/06/03/11/948060311.db2.gz NFJOLGPHSPNQMJ-RDBSUJKOSA-N 2 3 267.417 1.018 20 0 CDADHP Cc1cc(F)ccc1[C@H]1C[C@H](NCCNCC[NH3+])CC[NH2+]1 ZINC001246403352 948157583 /nfs/dbraw/zinc/15/75/83/948157583.db2.gz FEBJGFZRBRCNLX-GDBMZVCRSA-N 2 3 294.418 1.065 20 0 CDADHP CC[C@@H]1C[C@@H]([NH2+]CC2(CC)CC[NH2+]CC2)CCN1 ZINC001246425294 948166733 /nfs/dbraw/zinc/16/67/33/948166733.db2.gz XHXZCAYHZHWXBE-KGLIPLIRSA-N 2 3 253.434 1.886 20 0 CDADHP COc1ccc2c(c1)C[C@H](NCCC[NH2+]CCCC[NH3+])C2 ZINC001246460225 948184390 /nfs/dbraw/zinc/18/43/90/948184390.db2.gz ZWIOZUZJIDPYOE-MRXNPFEDSA-N 2 3 291.439 1.471 20 0 CDADHP C(N[C@H]1C[C@H]2C[NH2+]C[C@H]2C1)[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246460969 948186646 /nfs/dbraw/zinc/18/66/46/948186646.db2.gz MAPLQWDDLAMEKY-QKPAOTATSA-N 2 3 263.429 1.496 20 0 CDADHP C[C@H]1C[N@@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@H]1CN ZINC001246542428 948247252 /nfs/dbraw/zinc/24/72/52/948247252.db2.gz PHCOYDGPRCKUHH-GBJTYRQASA-N 2 3 251.418 1.435 20 0 CDADHP C[C@H]1C[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@H]1CN ZINC001246542428 948247255 /nfs/dbraw/zinc/24/72/55/948247255.db2.gz PHCOYDGPRCKUHH-GBJTYRQASA-N 2 3 251.418 1.435 20 0 CDADHP C[C@@H]1[C@@H](CN)CCC[N@@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246565226 948281047 /nfs/dbraw/zinc/28/10/47/948281047.db2.gz PFMLPUFWMWKJCS-KFWWJZLASA-N 2 3 265.445 1.968 20 0 CDADHP C[C@@H]1[C@@H](CN)CCC[N@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246565226 948281055 /nfs/dbraw/zinc/28/10/55/948281055.db2.gz PFMLPUFWMWKJCS-KFWWJZLASA-N 2 3 265.445 1.968 20 0 CDADHP CCCC[C@H]1C[C@H](N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CC[NH2+]1 ZINC001246629626 948366743 /nfs/dbraw/zinc/36/67/43/948366743.db2.gz GSDKTKMNPWBAPM-YYIAUSFCSA-N 2 3 295.471 1.608 20 0 CDADHP CC[NH+](CC)C[C@@H](O)CNCC1CC[NH+](CC(C)C)CC1 ZINC001253212851 951814202 /nfs/dbraw/zinc/81/42/02/951814202.db2.gz PNGSJAHASBOOCY-KRWDZBQOSA-N 2 3 299.503 1.647 20 0 CDADHP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+]C[C@H](O)CNC(C)(C)C)CC1 ZINC001253412900 951896462 /nfs/dbraw/zinc/89/64/62/951896462.db2.gz XDSDTBPGQXRSGB-XHSDSOJGSA-N 2 3 299.503 1.978 20 0 CDADHP [NH3+]CC1CC([NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1 ZINC001553290604 964612570 /nfs/dbraw/zinc/61/25/70/964612570.db2.gz BEGMXOSVTNJEJO-MOQPVCNJSA-N 2 3 251.418 1.482 20 0 CDADHP CSC1(C[NH2+][C@H]2CCNCC[C@H]2C)CC[NH+](C)CC1 ZINC000423126652 359752516 /nfs/dbraw/zinc/75/25/16/359752516.db2.gz SCTSZKNIIRFVHD-KGLIPLIRSA-N 2 3 285.501 1.792 20 0 CDADHP [NH3+]C1CCC([NH2+]Cc2cccc3c2CCNC3)CC1 ZINC000635003256 360645895 /nfs/dbraw/zinc/64/58/95/360645895.db2.gz HOKIHTKAELUZCQ-UHFFFAOYSA-N 2 3 259.397 1.692 20 0 CDADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1cccc2c1CC[NH2+]C2 ZINC000635010995 360654289 /nfs/dbraw/zinc/65/42/89/360654289.db2.gz OQOXGPXUGPOKBA-CXAGYDPISA-N 2 3 273.424 1.810 20 0 CDADHP C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C[C@@H](C)O1 ZINC000422913963 245399610 /nfs/dbraw/zinc/39/96/10/245399610.db2.gz RHNACHDNWOPEOV-QBPKDAKJSA-N 2 3 297.487 1.854 20 0 CDADHP C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000581256132 372902120 /nfs/dbraw/zinc/90/21/20/372902120.db2.gz NHAWOCAAFNNNJW-GXTWGEPZSA-N 2 3 259.397 1.501 20 0 CDADHP C[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCNC1 ZINC000647547531 390989696 /nfs/dbraw/zinc/98/96/96/390989696.db2.gz YIWIIFQCUHMSHX-BARDWOONSA-N 2 3 251.418 1.354 20 0 CDADHP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCNC3)CC2)cc1 ZINC000397598576 392152934 /nfs/dbraw/zinc/15/29/34/392152934.db2.gz MVGKSWXFECAWOA-QGZVFWFLSA-N 2 3 273.424 1.850 20 0 CDADHP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662260631 414594340 /nfs/dbraw/zinc/59/43/40/414594340.db2.gz NWOIISZPFIKLTK-INIZCTEOSA-N 2 3 295.471 1.561 20 0 CDADHP [NH3+][C@@H]1CC[C@H]2CN(Cc3cccc4c3CC[NH2+]C4)C[C@@H]12 ZINC000662265304 423812232 /nfs/dbraw/zinc/81/22/32/423812232.db2.gz GSDWZFOVUAKAPD-USXIJHARSA-N 2 3 271.408 1.501 20 0 CDADHP C[C@H](N)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000564578707 293375473 /nfs/dbraw/zinc/37/54/73/293375473.db2.gz YJKLLFJWMPCDPI-HNNXBMFYSA-N 2 3 296.503 1.462 20 0 CDADHP C[C@H](N)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000564578707 293375474 /nfs/dbraw/zinc/37/54/74/293375474.db2.gz YJKLLFJWMPCDPI-HNNXBMFYSA-N 2 3 296.503 1.462 20 0 CDADHP CSC1(C[NH2+][C@H]2CCC[C@@H]2CN)CC[NH+](C)CC1 ZINC000423118832 295583346 /nfs/dbraw/zinc/58/33/46/295583346.db2.gz AKEUUKFPROGATE-OLZOCXBDSA-N 2 3 271.474 1.531 20 0 CDADHP [NH3+][C@@H]1CCC[C@@H]2CN(C[C@@H]3CCCC[NH2+]C3)C[C@H]21 ZINC000903744309 626080834 /nfs/dbraw/zinc/08/08/34/626080834.db2.gz QWCDJJYRCBUHTN-KBUPBQIOSA-N 2 3 251.418 1.435 20 0 CDADHP CN(C)[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903907939 626141829 /nfs/dbraw/zinc/14/18/29/626141829.db2.gz BBZAOOZLNDAEJD-WTXIUTQJSA-N 2 3 265.445 1.933 20 0 CDADHP CN(C)[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903907939 626141832 /nfs/dbraw/zinc/14/18/32/626141832.db2.gz BBZAOOZLNDAEJD-WTXIUTQJSA-N 2 3 265.445 1.933 20 0 CDADHP c1cc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000923515622 755862771 /nfs/dbraw/zinc/86/27/71/755862771.db2.gz IORHAGUFOYGXEO-GOEBONIOSA-N 2 3 271.408 1.374 20 0 CDADHP CCC1(N2CCC2)CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000886857969 757662367 /nfs/dbraw/zinc/66/23/67/757662367.db2.gz IEYWZTCVVDGPKU-UHFFFAOYSA-N 2 3 265.445 1.936 20 0 CDADHP CCC1([NH+]2CCC2)CCN(CC2CC[NH2+]CC2)CC1 ZINC000886857969 757662392 /nfs/dbraw/zinc/66/23/92/757662392.db2.gz IEYWZTCVVDGPKU-UHFFFAOYSA-N 2 3 265.445 1.936 20 0 CDADHP CCC[NH+]1C[C@@H]2CN(CC3(C)CC[NH+](C)CC3)C[C@H]2C1 ZINC001208112142 894028629 /nfs/dbraw/zinc/02/86/29/894028629.db2.gz RQFHFCRTWRQHTI-HZPDHXFCSA-N 2 3 279.472 1.992 20 0 CDADHP [NH3+]CC[C@@H]1CCCN1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235925540 914438499 /nfs/dbraw/zinc/43/84/99/914438499.db2.gz TZZWKHRAWJCLJV-INIZCTEOSA-N 2 3 259.397 1.646 20 0 CDADHP C[C@H]1CCN(Cc2ccc3c(c2)CC[NH2+]C3)C[C@H]1C[NH3+] ZINC001205303227 919220682 /nfs/dbraw/zinc/22/06/82/919220682.db2.gz BBSJUSXPKMVVAT-SUMWQHHRSA-N 2 3 273.424 1.749 20 0 CDADHP CCN1CCC[C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC001118120202 937594132 /nfs/dbraw/zinc/59/41/32/937594132.db2.gz VBUIGGGKUFRNKM-RRFJBIMHSA-N 2 3 253.434 1.696 20 0 CDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001157845638 938554305 /nfs/dbraw/zinc/55/43/05/938554305.db2.gz DZENAESDWYOOIF-KKUMJFAQSA-N 2 3 298.475 1.068 20 0 CDADHP Cc1cc(N2CCN(CC3CC[NH+](C)CC3)CC2)cc[nH+]1 ZINC001207401699 940189631 /nfs/dbraw/zinc/18/96/31/940189631.db2.gz RNTJTLVVGSOFSZ-UHFFFAOYSA-N 2 3 288.439 1.854 20 0 CDADHP CCC[NH+]1CCC(NC(=O)[C@@H](N)CCCC[NH+](C)C)CC1 ZINC001219954889 941399832 /nfs/dbraw/zinc/39/98/32/941399832.db2.gz WSACZRLSLHEYIT-HNNXBMFYSA-N 2 3 298.475 1.036 20 0 CDADHP C(C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1)[C@H]1CNCCO1 ZINC001222161954 941570393 /nfs/dbraw/zinc/57/03/93/941570393.db2.gz UHCKSRSIQURGJH-IRXDYDNUSA-N 2 3 295.471 1.611 20 0 CDADHP C(C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1)[C@H]1CNCCO1 ZINC001222161954 941570396 /nfs/dbraw/zinc/57/03/96/941570396.db2.gz UHCKSRSIQURGJH-IRXDYDNUSA-N 2 3 295.471 1.611 20 0 CDADHP [NH3+][C@H](CN1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC001235093142 944052008 /nfs/dbraw/zinc/05/20/08/944052008.db2.gz PSXHPRIWFQDKDB-OAHLLOKOSA-N 2 3 259.397 1.762 20 0 CDADHP CC1(C)[NH2+][C@@H](CCN2CCC3(CC[NH2+]CC3)CC2)CO1 ZINC001235135180 944067711 /nfs/dbraw/zinc/06/77/11/944067711.db2.gz LKDJDXPNLLSVSS-AWEZNQCLSA-N 2 3 281.444 1.567 20 0 CDADHP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C[C@@H]2C)CCN1 ZINC001246094244 947945053 /nfs/dbraw/zinc/94/50/53/947945053.db2.gz DRCBIGCTBVWYDT-BYNSBNAKSA-N 2 3 253.434 1.742 20 0 CDADHP CC1(C)C[C@H]([NH2+]C[C@]2(C)CCC[NH2+]CC2)CCN1 ZINC001246096736 947946878 /nfs/dbraw/zinc/94/68/78/947946878.db2.gz WCHHTOQUOPACKN-UKRRQHHQSA-N 2 3 253.434 1.886 20 0 CDADHP O[C@@]1(C[NH2+]C2CCC3(CCC[NH2+]C3)CC2)CCCCNC1 ZINC001246114960 947965540 /nfs/dbraw/zinc/96/55/40/947965540.db2.gz XGWGJVLGZAEBKS-JCYILVPMSA-N 2 3 295.471 1.393 20 0 CDADHP CC[C@@H]1C[C@H]([NH2+]CC2CC3(C2)CC[NH2+]CC3)CCN1 ZINC001246127919 947974276 /nfs/dbraw/zinc/97/42/76/947974276.db2.gz RNTBJPGXAHIQGH-HUUCEWRRSA-N 2 3 265.445 1.886 20 0 CDADHP CC1(C)CNCC[C@@H]1[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246374227 948143323 /nfs/dbraw/zinc/14/33/23/948143323.db2.gz TVEHIUAPXFVZCW-KBPBESRZSA-N 2 3 265.445 1.886 20 0 CDADHP [NH3+][C@@H]1CCCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001246548122 948253678 /nfs/dbraw/zinc/25/36/78/948253678.db2.gz QZHVNMUSZGUEDW-CQSZACIVSA-N 2 3 274.412 1.864 20 0 CDADHP C1CN([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)[C@]2(C1)CC[NH2+]C2 ZINC001246647119 948383713 /nfs/dbraw/zinc/38/37/13/948383713.db2.gz HUSMPXOPHCSDSX-ARFHVFGLSA-N 2 3 263.429 1.737 20 0 CDADHP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCN1 ZINC001246679693 948402872 /nfs/dbraw/zinc/40/28/72/948402872.db2.gz ZLTIDLJBIVNCKP-KLHDSHLOSA-N 2 3 265.445 1.839 20 0 CDADHP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCN1 ZINC001246679693 948402877 /nfs/dbraw/zinc/40/28/77/948402877.db2.gz ZLTIDLJBIVNCKP-KLHDSHLOSA-N 2 3 265.445 1.839 20 0 CDADHP CC(C)[C@@H]1C[C@@H](N2CCC(N3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246884378 948500589 /nfs/dbraw/zinc/50/05/89/948500589.db2.gz ALUIVJYONPTMSC-IRXDYDNUSA-N 2 3 294.487 1.133 20 0 CDADHP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC2CC[NH+](C(C)C)CC2)O1 ZINC001257208149 948546792 /nfs/dbraw/zinc/54/67/92/948546792.db2.gz FNQPEBZOVLFAQQ-BZUAXINKSA-N 2 3 299.459 1.174 20 0 CDADHP C[NH2+]Cc1ccccc1CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000650755977 398179335 /nfs/dbraw/zinc/17/93/35/398179335.db2.gz QWOHBVLVGBSKTE-CJNGLKHVSA-N 2 3 261.413 1.884 20 0 CDADHP [NH3+]C[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)CC[C@H]1C(F)(F)F ZINC000629565489 363011066 /nfs/dbraw/zinc/01/10/66/363011066.db2.gz VZFGVGKMGGOQSR-JHJVBQTASA-N 2 3 293.377 1.835 20 0 CDADHP C[C@@H]1C[C@H](CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000629655225 363259526 /nfs/dbraw/zinc/25/95/26/363259526.db2.gz UMCDLBXYMWRXTP-FVCCEPFGSA-N 2 3 293.377 1.834 20 0 CDADHP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CCCNC2)CC1 ZINC000346816841 359094898 /nfs/dbraw/zinc/09/48/98/359094898.db2.gz BANMZWYRFRZKTK-GOEBONIOSA-N 2 3 283.460 1.011 20 0 CDADHP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H]2CCCNC2)CC1 ZINC000346816841 359094903 /nfs/dbraw/zinc/09/49/03/359094903.db2.gz BANMZWYRFRZKTK-GOEBONIOSA-N 2 3 283.460 1.011 20 0 CDADHP CC(C)[C@@H](CN)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000634994629 360621872 /nfs/dbraw/zinc/62/18/72/360621872.db2.gz JIKKZTIYFLGYKS-GJZGRUSLSA-N 2 3 253.434 1.539 20 0 CDADHP CC(C)[C@@H](C[NH3+])CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000634994629 360621878 /nfs/dbraw/zinc/62/18/78/360621878.db2.gz JIKKZTIYFLGYKS-GJZGRUSLSA-N 2 3 253.434 1.539 20 0 CDADHP CC(C)[C@H](CN)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000634996621 360628675 /nfs/dbraw/zinc/62/86/75/360628675.db2.gz PKMHTLHYVBPMQN-OWCLPIDISA-N 2 3 283.460 1.436 20 0 CDADHP CC(C)[C@H](C[NH3+])CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000634996621 360628678 /nfs/dbraw/zinc/62/86/78/360628678.db2.gz PKMHTLHYVBPMQN-OWCLPIDISA-N 2 3 283.460 1.436 20 0 CDADHP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](CN3CCCC3)C2)CC[NH2+]1 ZINC000414705161 241340048 /nfs/dbraw/zinc/34/00/48/241340048.db2.gz NPPNZOFJSHXPCW-OAGGEKHMSA-N 2 3 265.445 1.792 20 0 CDADHP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](CN3CCCC3)C2)CC[NH2+]1 ZINC000414705161 241340050 /nfs/dbraw/zinc/34/00/50/241340050.db2.gz NPPNZOFJSHXPCW-OAGGEKHMSA-N 2 3 265.445 1.792 20 0 CDADHP CC[NH+]1CCC(CN[C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000386416974 373379791 /nfs/dbraw/zinc/37/97/91/373379791.db2.gz JOOPGAZWXLJSIL-HIFRSBDPSA-N 2 3 253.434 1.839 20 0 CDADHP c1ccc([C@@H]2CNC[C@H]2[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000415060841 391740173 /nfs/dbraw/zinc/74/01/73/391740173.db2.gz ZASGQWJWMVWCDJ-JKSUJKDBSA-N 2 3 259.397 1.331 20 0 CDADHP CC(C)N1CCC([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000335061485 392075942 /nfs/dbraw/zinc/07/59/42/392075942.db2.gz WKTUAMZKQFCWMX-ZFWWWQNUSA-N 2 3 253.434 1.837 20 0 CDADHP NC[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CC12CCOCC2 ZINC000568090216 392361916 /nfs/dbraw/zinc/36/19/16/392361916.db2.gz YGPDNMBTGNDEQZ-HUUCEWRRSA-N 2 3 281.444 1.063 20 0 CDADHP NC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC12CCOCC2 ZINC000568090216 392361920 /nfs/dbraw/zinc/36/19/20/392361920.db2.gz YGPDNMBTGNDEQZ-HUUCEWRRSA-N 2 3 281.444 1.063 20 0 CDADHP [NH3+]CC1(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000656782619 413650335 /nfs/dbraw/zinc/65/03/35/413650335.db2.gz HVFRHASDUMEOLG-CQSZACIVSA-N 2 3 251.418 1.437 20 0 CDADHP N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000662282048 414612184 /nfs/dbraw/zinc/61/21/84/414612184.db2.gz CDQMEQKCQFQFCP-HZPDHXFCSA-N 2 3 259.397 1.692 20 0 CDADHP C([C@@H]1CCC2(CNC2)O1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662292669 414618632 /nfs/dbraw/zinc/61/86/32/414618632.db2.gz HLIXFLRRQRUHFJ-CVEARBPZSA-N 2 3 293.455 1.219 20 0 CDADHP C[N@@H+]1CC[C@@](O)(CN[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925640663 617584398 /nfs/dbraw/zinc/58/43/98/617584398.db2.gz UDNMNIMXZVSZIQ-JKSUJKDBSA-N 2 3 277.412 1.123 20 0 CDADHP C[N@H+]1CC[C@@](O)(CN[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925640663 617584401 /nfs/dbraw/zinc/58/44/01/617584401.db2.gz UDNMNIMXZVSZIQ-JKSUJKDBSA-N 2 3 277.412 1.123 20 0 CDADHP C([C@@H]1CCCC[NH2+]C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000903749564 626071721 /nfs/dbraw/zinc/07/17/21/626071721.db2.gz LXMFHZFPXJEPIE-GDBMZVCRSA-N 2 3 265.445 1.698 20 0 CDADHP [NH3+]CCCCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000846220688 771890835 /nfs/dbraw/zinc/89/08/35/771890835.db2.gz URELANQJVDPJPL-UHFFFAOYSA-N 2 3 262.401 1.723 20 0 CDADHP CCC[NH+]1CCC(NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000873291168 772597317 /nfs/dbraw/zinc/59/73/17/772597317.db2.gz VCNCGASHGVIECC-INIZCTEOSA-N 2 3 295.471 1.609 20 0 CDADHP CCCN1CC[C@@H](C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000693011482 894704026 /nfs/dbraw/zinc/70/40/26/894704026.db2.gz UNMAJSGMIGCPKP-HNNXBMFYSA-N 2 3 253.434 1.650 20 0 CDADHP C[C@@H]1CC[NH2+]CC[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246111922 931059856 /nfs/dbraw/zinc/05/98/56/931059856.db2.gz PAHGRZMEQISAMF-DGADGQDISA-N 2 3 265.445 1.885 20 0 CDADHP C[C@@H]1[C@H](C[NH3+])CCCN1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001205902095 939953426 /nfs/dbraw/zinc/95/34/26/939953426.db2.gz HZXUFCAMTYEJDS-CJNGLKHVSA-N 2 3 273.424 1.892 20 0 CDADHP CC1(C[N@@H+]2CC[C@]3(C2)CCCCN3)CC[NH2+]CC1 ZINC001222421411 941594114 /nfs/dbraw/zinc/59/41/14/941594114.db2.gz LWHSNHAYASOVSS-HNNXBMFYSA-N 2 3 251.418 1.594 20 0 CDADHP CC1(C[N@H+]2CC[C@]3(C2)CCCCN3)CC[NH2+]CC1 ZINC001222421411 941594115 /nfs/dbraw/zinc/59/41/15/941594115.db2.gz LWHSNHAYASOVSS-HNNXBMFYSA-N 2 3 251.418 1.594 20 0 CDADHP CC1(CN2CCOC[C@]3(CCC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001235004825 944006269 /nfs/dbraw/zinc/00/62/69/944006269.db2.gz CRXNZZGIGNFNAC-INIZCTEOSA-N 2 3 281.444 1.078 20 0 CDADHP C(C[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)[C@@H]1CNCCO1 ZINC001235153453 944073070 /nfs/dbraw/zinc/07/30/70/944073070.db2.gz SGJYAODHLATKIO-HZPDHXFCSA-N 2 3 281.444 1.219 20 0 CDADHP C(C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)[C@@H]1CNCCO1 ZINC001235153453 944073075 /nfs/dbraw/zinc/07/30/75/944073075.db2.gz SGJYAODHLATKIO-HZPDHXFCSA-N 2 3 281.444 1.219 20 0 CDADHP C[C@@H]1CC([NH2+]C[C@@H]2CC[NH2+]CC[C@H]2C)C[C@@H](C)N1 ZINC001246112710 947963644 /nfs/dbraw/zinc/96/36/44/947963644.db2.gz RHVOCYQUDCCHIA-SYQHCUMBSA-N 2 3 253.434 1.741 20 0 CDADHP C1[C@@H]2CNC[C@H]1[C@H]2[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246150270 947991610 /nfs/dbraw/zinc/99/16/10/947991610.db2.gz SUJXUMUGSVFLIU-AURRFLRISA-N 2 3 263.429 1.496 20 0 CDADHP CCC1(C[NH2+][C@@H]2C[C@@H](C)N[C@@H](C)C2)CC[NH2+]CC1 ZINC001246421881 948167259 /nfs/dbraw/zinc/16/72/59/948167259.db2.gz KJCMRRZCEABAFZ-BTTYYORXSA-N 2 3 253.434 1.885 20 0 CDADHP [NH3+]CC1(c2ccccc2)CC(N[C@H]2CCC[C@@H]2[NH3+])C1 ZINC001550944155 966297111 /nfs/dbraw/zinc/29/71/11/966297111.db2.gz JYFKUMJBEXXPFH-PYBGIAKNSA-N 2 3 259.397 1.515 20 0 CDADHP CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000250647372 344048639 /nfs/dbraw/zinc/04/86/39/344048639.db2.gz VRYYFTDVPNRWRX-QKPAOTATSA-N 2 3 265.445 1.839 20 0 CDADHP [NH3+]C[C@@H]1CN(CC2CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC000629559673 363004800 /nfs/dbraw/zinc/00/48/00/363004800.db2.gz BNCUDPITKCLHOR-VXGBXAGGSA-N 2 3 279.350 1.445 20 0 CDADHP C[C@@H]1C[NH2+]CC[C@@H]1CN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629655711 363258980 /nfs/dbraw/zinc/25/89/80/363258980.db2.gz YBRBCUKPQIFZKN-LPWJVIDDSA-N 2 3 293.377 1.691 20 0 CDADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CN)C1 ZINC000629655711 363258987 /nfs/dbraw/zinc/25/89/87/363258987.db2.gz YBRBCUKPQIFZKN-LPWJVIDDSA-N 2 3 293.377 1.691 20 0 CDADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CN)C1 ZINC000629655711 363258992 /nfs/dbraw/zinc/25/89/92/363258992.db2.gz YBRBCUKPQIFZKN-LPWJVIDDSA-N 2 3 293.377 1.691 20 0 CDADHP CSC1(C[NH2+][C@@H]2CCC[C@H]2CN)CC[NH+](C)CC1 ZINC000423118834 359751211 /nfs/dbraw/zinc/75/12/11/359751211.db2.gz AKEUUKFPROGATE-QWHCGFSZSA-N 2 3 271.474 1.531 20 0 CDADHP C[C@H]1C[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)CC[N@@H+]1C ZINC000635010286 360652922 /nfs/dbraw/zinc/65/29/22/360652922.db2.gz RYYFWGZRMDSEGS-UONOGXRCSA-N 2 3 289.427 1.386 20 0 CDADHP C[C@H]1C[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)CC[N@H+]1C ZINC000635010286 360652928 /nfs/dbraw/zinc/65/29/28/360652928.db2.gz RYYFWGZRMDSEGS-UONOGXRCSA-N 2 3 289.427 1.386 20 0 CDADHP C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000422884958 245369445 /nfs/dbraw/zinc/36/94/45/245369445.db2.gz SUEUACQLBYTSKO-QAETUUGQSA-N 2 3 297.487 1.983 20 0 CDADHP C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000422884958 245369451 /nfs/dbraw/zinc/36/94/51/245369451.db2.gz SUEUACQLBYTSKO-QAETUUGQSA-N 2 3 297.487 1.983 20 0 CDADHP C(CC1CC[NH2+]CC1)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000647908375 391241185 /nfs/dbraw/zinc/24/11/85/391241185.db2.gz DYFNYAVURHHQKL-OAHLLOKOSA-N 2 3 251.418 1.452 20 0 CDADHP CC[C@H]1CN(CCCC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647934676 391378354 /nfs/dbraw/zinc/37/83/54/391378354.db2.gz MCRBNLTXWBFXGB-LSDHHAIUSA-N 2 3 253.434 1.825 20 0 CDADHP C[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C[C@@H]1CN ZINC000647992557 391699884 /nfs/dbraw/zinc/69/98/84/391699884.db2.gz OFFYLHAGKIVRDO-ZFWWWQNUSA-N 2 3 253.434 1.683 20 0 CDADHP C[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C[C@@H]1CN ZINC000647992557 391699888 /nfs/dbraw/zinc/69/98/88/391699888.db2.gz OFFYLHAGKIVRDO-ZFWWWQNUSA-N 2 3 253.434 1.683 20 0 CDADHP C[C@H]1CCN(CCCC2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000647992557 391699890 /nfs/dbraw/zinc/69/98/90/391699890.db2.gz OFFYLHAGKIVRDO-ZFWWWQNUSA-N 2 3 253.434 1.683 20 0 CDADHP C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423167397 278259664 /nfs/dbraw/zinc/25/96/64/278259664.db2.gz FAVORTUMQOAKAT-SOUVJXGZSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423167397 278259666 /nfs/dbraw/zinc/25/96/66/278259666.db2.gz FAVORTUMQOAKAT-SOUVJXGZSA-N 2 3 253.434 1.839 20 0 CDADHP CSC1(C[NH2+][C@H]2CCC[C@H](N)C2)CC[NH+](C)CC1 ZINC000568651395 294078861 /nfs/dbraw/zinc/07/88/61/294078861.db2.gz SDEUSVGAWZYAFR-STQMWFEESA-N 2 3 271.474 1.673 20 0 CDADHP CCN1CCN(C[C@H](C)C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422710424 535718035 /nfs/dbraw/zinc/71/80/35/535718035.db2.gz FPXKKEJMTXZBAS-IKGGRYGDSA-N 2 3 296.503 1.238 20 0 CDADHP C(C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1)[C@@H]1CNCCO1 ZINC001235231228 944100870 /nfs/dbraw/zinc/10/08/70/944100870.db2.gz DJXYATNYVMFCCM-HZPDHXFCSA-N 2 3 281.444 1.219 20 0 CDADHP C[NH2+]C1CCC([N@H+](C)CC[C@H]2CCCCN2)CC1 ZINC001236213941 944432264 /nfs/dbraw/zinc/43/22/64/944432264.db2.gz ZEPZWKSFEUFBOA-SHARSMKWSA-N 2 3 253.434 1.981 20 0 CDADHP C[NH2+]C1CCC([N@@H+](C)CC[C@H]2CCCCN2)CC1 ZINC001236213941 944432267 /nfs/dbraw/zinc/43/22/67/944432267.db2.gz ZEPZWKSFEUFBOA-SHARSMKWSA-N 2 3 253.434 1.981 20 0 CDADHP [NH3+]CCCCN1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237276358 944712874 /nfs/dbraw/zinc/71/28/74/944712874.db2.gz VOLZXGXHSJCQFG-UHFFFAOYSA-N 2 3 273.424 1.862 20 0 CDADHP NC[C@H]1CCCC[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001262162056 946481171 /nfs/dbraw/zinc/48/11/71/946481171.db2.gz CHVNNDAIWDJNKM-HKJOBYGYSA-N 2 3 251.418 1.624 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]CCCC2CC[NH2+]CC2)C[C@H](C)N1 ZINC001246108954 947960034 /nfs/dbraw/zinc/96/00/34/947960034.db2.gz XDPOINNQWNPDKT-AGGWBTHJSA-N 2 3 253.434 1.885 20 0 CDADHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CNCC12CC2 ZINC001246134658 947979968 /nfs/dbraw/zinc/97/99/68/947979968.db2.gz RNNJICNTLBPSMV-KBPBESRZSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@@H]1C[C@H](NCC2(c3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246425872 948167637 /nfs/dbraw/zinc/16/76/37/948167637.db2.gz CACSAUSZHOXCFI-HUUCEWRRSA-N 2 3 288.439 1.433 20 0 CDADHP C[C@@H]1C[C@H]([NH2+]CC2(c3ccccn3)CC[NH2+]CC2)CCN1 ZINC001246425872 948167642 /nfs/dbraw/zinc/16/76/42/948167642.db2.gz CACSAUSZHOXCFI-HUUCEWRRSA-N 2 3 288.439 1.433 20 0 CDADHP CC(C)CN1CCC([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246477258 948193916 /nfs/dbraw/zinc/19/39/16/948193916.db2.gz NGPGCCJCXSFTNK-ZFWWWQNUSA-N 2 3 271.424 1.644 20 0 CDADHP C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC[C@H]1C[NH3+] ZINC001246555285 948263116 /nfs/dbraw/zinc/26/31/16/948263116.db2.gz DJSRDJSWHBXICC-DGADGQDISA-N 2 3 265.445 1.966 20 0 CDADHP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC[C@H]1C[NH3+] ZINC001246555285 948263121 /nfs/dbraw/zinc/26/31/21/948263121.db2.gz DJSRDJSWHBXICC-DGADGQDISA-N 2 3 265.445 1.966 20 0 CDADHP CC[NH+](CC)C1CCC(N2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246564728 948282219 /nfs/dbraw/zinc/28/22/19/948282219.db2.gz GHKFTXPFIGCQHE-NEXFUWMNSA-N 2 3 269.433 1.033 20 0 CDADHP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](N)[C@H](O)C2)CC1 ZINC001246564728 948282224 /nfs/dbraw/zinc/28/22/24/948282224.db2.gz GHKFTXPFIGCQHE-NEXFUWMNSA-N 2 3 269.433 1.033 20 0 CDADHP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](N)[C@H](O)C2)CC1 ZINC001246564728 948282233 /nfs/dbraw/zinc/28/22/33/948282233.db2.gz GHKFTXPFIGCQHE-NEXFUWMNSA-N 2 3 269.433 1.033 20 0 CDADHP C[C@H]1C[C@H]([NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)CCN1 ZINC001246658087 948392387 /nfs/dbraw/zinc/39/23/87/948392387.db2.gz TWZRGZZWUZMMRV-NUEKZKHPSA-N 2 3 265.445 1.981 20 0 CDADHP C[C@H]1C[C@H](N2CCC([C@H]3CCCC[NH2+]3)CC2)CC[NH2+]1 ZINC001246658087 948392395 /nfs/dbraw/zinc/39/23/95/948392395.db2.gz TWZRGZZWUZMMRV-NUEKZKHPSA-N 2 3 265.445 1.981 20 0 CDADHP CCN(CC)C[C@H](O)C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001253191038 951789919 /nfs/dbraw/zinc/78/99/19/951789919.db2.gz VBAZPSPUIMQBGJ-QGZVFWFLSA-N 2 3 299.503 1.741 20 0 CDADHP CCN(CC)C[C@H](O)C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001253191038 951789924 /nfs/dbraw/zinc/78/99/24/951789924.db2.gz VBAZPSPUIMQBGJ-QGZVFWFLSA-N 2 3 299.503 1.741 20 0 CDADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1C[C@H]2CCC[C@]2(CN)C1 ZINC001549309573 968133135 /nfs/dbraw/zinc/13/31/35/968133135.db2.gz BITFJUWQINSWGV-TUVASFSCSA-N 2 3 251.418 1.293 20 0 CDADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1C[C@H]2CCC[C@]2(CN)C1 ZINC001549309573 968133140 /nfs/dbraw/zinc/13/31/40/968133140.db2.gz BITFJUWQINSWGV-TUVASFSCSA-N 2 3 251.418 1.293 20 0 CDADHP C[C@@H]1C[C@H](C[NH+]2CCC(OCCN(C)C)CC2)CC[NH2+]1 ZINC000414689944 241322832 /nfs/dbraw/zinc/32/28/32/241322832.db2.gz GXIOWCSQFQIJEY-HUUCEWRRSA-N 2 3 283.460 1.417 20 0 CDADHP C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCC[NH2+]1 ZINC000423564840 299395072 /nfs/dbraw/zinc/39/50/72/299395072.db2.gz YGQZQRSUDZUMAG-ZQNQSHIBSA-N 2 3 251.418 1.495 20 0 CDADHP C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000647509935 390976065 /nfs/dbraw/zinc/97/60/65/390976065.db2.gz ZMJCZTZEMZLNDT-HOCLYGCPSA-N 2 3 291.439 1.796 20 0 CDADHP [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc4c(c3)C[NH2+]CC4)C[C@@H]12 ZINC000568050979 392344222 /nfs/dbraw/zinc/34/42/22/392344222.db2.gz QGRPNEHCGXBLQE-DJIMGWMZSA-N 2 3 271.408 1.501 20 0 CDADHP CC[NH+](CC)CCO[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261658821 140370958 /nfs/dbraw/zinc/37/09/58/140370958.db2.gz BMLIRJRCAOFPQS-JKSUJKDBSA-N 2 3 283.460 1.419 20 0 CDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000335027750 296575740 /nfs/dbraw/zinc/57/57/40/296575740.db2.gz IXNHRUORMLLOIH-URGYJCLVSA-N 2 3 253.434 1.837 20 0 CDADHP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)CN1CCCC1 ZINC000400908255 424415469 /nfs/dbraw/zinc/41/54/69/424415469.db2.gz AAKLJMYUMJLIKC-KLHDSHLOSA-N 2 3 265.445 1.696 20 0 CDADHP C[C@@H]1CN(CCCC[NH2+]C2CCC(C[NH3+])CC2)C[C@H](C)O1 ZINC000422914745 288159623 /nfs/dbraw/zinc/15/96/23/288159623.db2.gz VTRAYCAVJZIZCY-RYTJFDOTSA-N 2 3 297.487 1.983 20 0 CDADHP NC[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000423086008 295270836 /nfs/dbraw/zinc/27/08/36/295270836.db2.gz LEZWJOBNLYCYAG-HIFRSBDPSA-N 2 3 251.418 1.578 20 0 CDADHP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000925777516 617675236 /nfs/dbraw/zinc/67/52/36/617675236.db2.gz FERFXHGZPSVAFF-CYZMBNFOSA-N 2 3 262.401 1.769 20 0 CDADHP CN(C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCC[NH2+]CC1 ZINC000903746163 626070978 /nfs/dbraw/zinc/07/09/78/626070978.db2.gz VVWCSGGDZBASQI-CABCVRRESA-N 2 3 281.444 1.219 20 0 CDADHP C(O[C@@H]1CC[NH2+]C1)C1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903775302 626089688 /nfs/dbraw/zinc/08/96/88/626089688.db2.gz KCPDCEUPVNRCPI-DLBZAZTESA-N 2 3 295.471 1.467 20 0 CDADHP CC1(C)CNCC[C@@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903919341 626146611 /nfs/dbraw/zinc/14/66/11/626146611.db2.gz MRCFYAPEKIXJBH-GSPSYOTPSA-N 2 3 251.418 1.495 20 0 CDADHP [NH3+]CCC1CCN(Cc2ccc(N3CC[NH2+]CC3)o2)CC1 ZINC000904376348 626274464 /nfs/dbraw/zinc/27/44/64/626274464.db2.gz PFZNQMGXMWKORT-UHFFFAOYSA-N 2 3 292.427 1.250 20 0 CDADHP C[N@@H+]1CCC[C@H](N2CCN(CCCCCCC[NH3+])CC2)C1 ZINC000844221470 782669790 /nfs/dbraw/zinc/66/97/90/782669790.db2.gz NWTURBZEEXLKFL-KRWDZBQOSA-N 2 3 296.503 1.607 20 0 CDADHP C[N@H+]1CCC[C@H](N2CCN(CCCCCCC[NH3+])CC2)C1 ZINC000844221470 782669803 /nfs/dbraw/zinc/66/98/03/782669803.db2.gz NWTURBZEEXLKFL-KRWDZBQOSA-N 2 3 296.503 1.607 20 0 CDADHP CC(C)N1CC[C@H](C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000054243437 781598893 /nfs/dbraw/zinc/59/88/93/781598893.db2.gz BWPLHWBVIHOVTN-OAHLLOKOSA-N 2 3 253.434 1.648 20 0 CDADHP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC001575941554 1167654530 /nfs/dbraw/zinc/65/45/30/1167654530.db2.gz RSFYFBZZDYZNCO-PMPSAXMXSA-N 2 3 284.492 1.379 20 0 CDADHP COCCCN1CCC([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001172247914 911521776 /nfs/dbraw/zinc/52/17/76/911521776.db2.gz PRFAHMSJUOLNKE-IRXDYDNUSA-N 2 3 297.487 1.950 20 0 CDADHP N[C@H]1CC[N@H+](Cc2cc3c(s2)C[NH2+]CC3)CC[C@H]1F ZINC001206185382 912127441 /nfs/dbraw/zinc/12/74/41/912127441.db2.gz NBYYBNNFAJPPHQ-OLZOCXBDSA-N 2 3 283.416 1.655 20 0 CDADHP N[C@H]1CC[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)CC[C@H]1F ZINC001206185382 912127446 /nfs/dbraw/zinc/12/74/46/912127446.db2.gz NBYYBNNFAJPPHQ-OLZOCXBDSA-N 2 3 283.416 1.655 20 0 CDADHP C[C@H]1CC[C@H](CNC2CCC3(CC[NH2+]C3)CC2)[NH2+]C1 ZINC001246115229 931062048 /nfs/dbraw/zinc/06/20/48/931062048.db2.gz RGNUVVKPFHYGST-JWMHWRSXSA-N 2 3 265.445 1.886 20 0 CDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC[C@H](C[NH3+])[C@@H]1C ZINC001157845639 938554436 /nfs/dbraw/zinc/55/44/36/938554436.db2.gz DZENAESDWYOOIF-ZNMIVQPWSA-N 2 3 298.475 1.068 20 0 CDADHP CC(C)CN(C(=O)[C@@H](N)CCCC[NH3+])[C@H]1CC[C@H]([NH3+])CC1 ZINC001221188153 941501860 /nfs/dbraw/zinc/50/18/60/941501860.db2.gz PPHVPQLRALPQNY-KKUMJFAQSA-N 2 3 298.475 1.197 20 0 CDADHP c1ccc([C@@]23C[NH2+]C[C@@H]2CN(CCC2C[NH2+]C2)C3)cc1 ZINC001236013136 944371829 /nfs/dbraw/zinc/37/18/29/944371829.db2.gz YDGVTNUHZVYJRN-SJORKVTESA-N 2 3 271.408 1.069 20 0 CDADHP C[C@@H]1C[NH2+]CCC[C@@H]1C[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC001246101239 947951175 /nfs/dbraw/zinc/95/11/75/947951175.db2.gz ZUYDDMMFYZOMKQ-RBSFLKMASA-N 2 3 265.445 1.886 20 0 CDADHP O[C@]1(C[NH2+]C2CCC3(CCC[NH2+]C3)CC2)CCCCNC1 ZINC001246114962 947965433 /nfs/dbraw/zinc/96/54/33/947965433.db2.gz XGWGJVLGZAEBKS-OFLPRAFFSA-N 2 3 295.471 1.393 20 0 CDADHP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001246152486 947994736 /nfs/dbraw/zinc/99/47/36/947994736.db2.gz ZEQUHLOVMIOEKO-JONQDZQNSA-N 2 3 292.471 1.075 20 0 CDADHP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001246152486 947994740 /nfs/dbraw/zinc/99/47/40/947994740.db2.gz ZEQUHLOVMIOEKO-JONQDZQNSA-N 2 3 292.471 1.075 20 0 CDADHP C[C@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)CCN1 ZINC001246273779 948071554 /nfs/dbraw/zinc/07/15/54/948071554.db2.gz VLALYOSGQWYPMV-GJZGRUSLSA-N 2 3 253.434 1.983 20 0 CDADHP C[C@H]1C[C@H]([NH2+]CCCC2CC[NH+](C)CC2)CCN1 ZINC001246357786 948131196 /nfs/dbraw/zinc/13/11/96/948131196.db2.gz ANBUAAVEEIRIQW-DZGCQCFKSA-N 2 3 253.434 1.839 20 0 CDADHP NC[C@@H]1C[N@@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCC1(F)F ZINC001246558070 948271527 /nfs/dbraw/zinc/27/15/27/948271527.db2.gz OBHAVQIVLPGYHP-HZSPNIEDSA-N 2 3 287.398 1.825 20 0 CDADHP NC[C@@H]1C[N@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCC1(F)F ZINC001246558070 948271534 /nfs/dbraw/zinc/27/15/34/948271534.db2.gz OBHAVQIVLPGYHP-HZSPNIEDSA-N 2 3 287.398 1.825 20 0 CDADHP [NH3+]C[C@@H]1CN([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCC1(F)F ZINC001246558070 948271542 /nfs/dbraw/zinc/27/15/42/948271542.db2.gz OBHAVQIVLPGYHP-HZSPNIEDSA-N 2 3 287.398 1.825 20 0 CDADHP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CCC[C@H]1C[NH3+] ZINC001246573737 948296743 /nfs/dbraw/zinc/29/67/43/948296743.db2.gz ZCYFRMFRDDTWPI-LEOABGAYSA-N 2 3 265.445 1.966 20 0 CDADHP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CCC[C@H]1C[NH3+] ZINC001246573737 948296749 /nfs/dbraw/zinc/29/67/49/948296749.db2.gz ZCYFRMFRDDTWPI-LEOABGAYSA-N 2 3 265.445 1.966 20 0 CDADHP CCCC[C@@H]1C[C@H](N2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246596713 948332455 /nfs/dbraw/zinc/33/24/55/948332455.db2.gz QLHWCWMGVGYTRZ-HZPDHXFCSA-N 2 3 294.487 1.325 20 0 CDADHP C1N([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC12CCC[NH2+]C2 ZINC001246606155 948341379 /nfs/dbraw/zinc/34/13/79/948341379.db2.gz MIRMWUHAQVNAEV-HUUCEWRRSA-N 2 3 263.429 1.594 20 0 CDADHP C1[NH2+]CC12CCC([N@@H+]1CCC[C@]13CCCNC3)CC2 ZINC001246609649 948343842 /nfs/dbraw/zinc/34/38/42/948343842.db2.gz MFZDPAPOZFRCPI-INIZCTEOSA-N 2 3 263.429 1.737 20 0 CDADHP C1[NH2+]CC12CCC([N@H+]1CCC[C@]13CCCNC3)CC2 ZINC001246609649 948343847 /nfs/dbraw/zinc/34/38/47/948343847.db2.gz MFZDPAPOZFRCPI-INIZCTEOSA-N 2 3 263.429 1.737 20 0 CDADHP C1[NH2+]CC12CCC(N1CCC[C@]13CCC[NH2+]C3)CC2 ZINC001246609649 948343851 /nfs/dbraw/zinc/34/38/51/948343851.db2.gz MFZDPAPOZFRCPI-INIZCTEOSA-N 2 3 263.429 1.737 20 0 CDADHP C[C@@H]1C[C@H]([NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)CCN1 ZINC001246658082 948391899 /nfs/dbraw/zinc/39/18/99/948391899.db2.gz TWZRGZZWUZMMRV-FVQBIDKESA-N 2 3 265.445 1.981 20 0 CDADHP C[C@@H]1C[C@H](N2CCC([C@H]3CCCC[NH2+]3)CC2)CC[NH2+]1 ZINC001246658082 948391904 /nfs/dbraw/zinc/39/19/04/948391904.db2.gz TWZRGZZWUZMMRV-FVQBIDKESA-N 2 3 265.445 1.981 20 0 CDADHP C[N@H+](C[C@H]1CCCNC1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246839446 948469065 /nfs/dbraw/zinc/46/90/65/948469065.db2.gz BIRAACGKDQIXJY-LSDHHAIUSA-N 2 3 265.445 1.840 20 0 CDADHP C[N@@H+](C[C@H]1CCCNC1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246839446 948469070 /nfs/dbraw/zinc/46/90/70/948469070.db2.gz BIRAACGKDQIXJY-LSDHHAIUSA-N 2 3 265.445 1.840 20 0 CDADHP C([C@@H]1CCC[NH2+]C1)N(C1CC1)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246972575 948550798 /nfs/dbraw/zinc/55/07/98/948550798.db2.gz KUOSMLRTJIPZIT-TZMCWYRMSA-N 2 3 281.469 1.298 20 0 CDADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC001553024474 964484914 /nfs/dbraw/zinc/48/49/14/964484914.db2.gz FKQMUWSJIBXNRR-BFHYXJOUSA-N 2 3 265.445 1.742 20 0 CDADHP CC1([NH+]2CCOCC2)CCC([NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC001551379873 966590790 /nfs/dbraw/zinc/59/07/90/966590790.db2.gz LUKPJBARDKDPIG-KZYLPZIUSA-N 2 3 295.471 1.737 20 0 CDADHP CC[NH+]1CCC(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000156068248 539099249 /nfs/dbraw/zinc/09/92/49/539099249.db2.gz ZBVBRYMARWSWCU-JKSUJKDBSA-N 2 3 265.445 1.935 20 0 CDADHP [NH3+]C[C@H]1CN(CC2CC[NH2+]CC2)CC[C@@H]1C(F)(F)F ZINC000629559672 363004184 /nfs/dbraw/zinc/00/41/84/363004184.db2.gz BNCUDPITKCLHOR-RYUDHWBXSA-N 2 3 279.350 1.445 20 0 CDADHP C[C@H]1CCNCC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000423087919 290600657 /nfs/dbraw/zinc/60/06/57/290600657.db2.gz PCEXYWXYVUICDK-XJKSGUPXSA-N 2 3 265.445 1.839 20 0 CDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423164406 359753447 /nfs/dbraw/zinc/75/34/47/359753447.db2.gz OMHJONFYBWXQTO-HIFRSBDPSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423164406 359753450 /nfs/dbraw/zinc/75/34/50/359753450.db2.gz OMHJONFYBWXQTO-HIFRSBDPSA-N 2 3 253.434 1.839 20 0 CDADHP [NH3+][C@H]1CCC[C@H](NCc2cccc3c2CC[NH2+]C3)C1 ZINC000635004907 360648884 /nfs/dbraw/zinc/64/88/84/360648884.db2.gz RECYZNMQNALEKN-GJZGRUSLSA-N 2 3 259.397 1.692 20 0 CDADHP CC(C)[C@H](CN)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000634996460 360626375 /nfs/dbraw/zinc/62/63/75/360626375.db2.gz KNUWKLQMTSWQRZ-HZPDHXFCSA-N 2 3 267.461 1.929 20 0 CDADHP CC(C)[C@H](C[NH3+])CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000634996460 360626379 /nfs/dbraw/zinc/62/63/79/360626379.db2.gz KNUWKLQMTSWQRZ-HZPDHXFCSA-N 2 3 267.461 1.929 20 0 CDADHP C(C[N@@H+]1CC[C@H](CN2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000420311448 244065487 /nfs/dbraw/zinc/06/54/87/244065487.db2.gz HBYQMUTXQDVHQT-HUUCEWRRSA-N 2 3 251.418 1.404 20 0 CDADHP C(C[N@H+]1CC[C@H](CN2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000420311448 244065492 /nfs/dbraw/zinc/06/54/92/244065492.db2.gz HBYQMUTXQDVHQT-HUUCEWRRSA-N 2 3 251.418 1.404 20 0 CDADHP C(CN1CC[C@H](C[NH+]2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000420311448 244065496 /nfs/dbraw/zinc/06/54/96/244065496.db2.gz HBYQMUTXQDVHQT-HUUCEWRRSA-N 2 3 251.418 1.404 20 0 CDADHP C[C@@H](CCC[NH3+])[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000422907132 245392801 /nfs/dbraw/zinc/39/28/01/245392801.db2.gz BCOANTZDYRRHCJ-SOUVJXGZSA-N 2 3 271.449 1.593 20 0 CDADHP C([C@H]1CCC[NH2+]C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000336021396 390902367 /nfs/dbraw/zinc/90/23/67/390902367.db2.gz MUXYWIDNBFRRQY-DZGCQCFKSA-N 2 3 251.418 1.308 20 0 CDADHP C([C@H]1CCCNC1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000336021396 390902368 /nfs/dbraw/zinc/90/23/68/390902368.db2.gz MUXYWIDNBFRRQY-DZGCQCFKSA-N 2 3 251.418 1.308 20 0 CDADHP NC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000262294834 149049083 /nfs/dbraw/zinc/04/90/83/149049083.db2.gz WMHFYOGBBMRKGB-SJORKVTESA-N 2 3 273.424 1.660 20 0 CDADHP NC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000262294834 149049085 /nfs/dbraw/zinc/04/90/85/149049085.db2.gz WMHFYOGBBMRKGB-SJORKVTESA-N 2 3 273.424 1.660 20 0 CDADHP N[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000665233744 413959889 /nfs/dbraw/zinc/95/98/89/413959889.db2.gz OGEUBTNDMBTRSD-JKSUJKDBSA-N 2 3 295.471 1.737 20 0 CDADHP C[C@H](CCC[NH3+])[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000422796876 298398315 /nfs/dbraw/zinc/39/83/15/298398315.db2.gz ZHNSXMJNIOPAEU-MRXNPFEDSA-N 2 3 296.503 1.654 20 0 CDADHP C[C@H]([NH3+])[C@H]1CCCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903716834 626061529 /nfs/dbraw/zinc/06/15/29/626061529.db2.gz UNJMRDZMWVJWPJ-SOUVJXGZSA-N 2 3 281.444 1.204 20 0 CDADHP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903740683 626079157 /nfs/dbraw/zinc/07/91/57/626079157.db2.gz JOEQKCMDFAMDGG-UYTSQGDYSA-N 2 3 293.455 1.489 20 0 CDADHP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCNC2)CC1 ZINC000903986016 626173950 /nfs/dbraw/zinc/17/39/50/626173950.db2.gz DVMHONHVMJDQLI-SLTAFYQDSA-N 2 3 251.418 1.735 20 0 CDADHP F[C@@H]1CCNC[C@]12CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC001235400025 914203051 /nfs/dbraw/zinc/20/30/51/914203051.db2.gz BQTGGERFGUWSOQ-ZNMIVQPWSA-N 2 3 269.408 1.400 20 0 CDADHP F[C@@H]1CCNC[C@]12CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC001235400025 914203065 /nfs/dbraw/zinc/20/30/65/914203065.db2.gz BQTGGERFGUWSOQ-ZNMIVQPWSA-N 2 3 269.408 1.400 20 0 CDADHP C[NH+](C)C1(C)CCC(N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000715558054 910021619 /nfs/dbraw/zinc/02/16/19/910021619.db2.gz MZTWYDRGOBEXGQ-VCAMFKORSA-N 2 3 277.456 1.835 20 0 CDADHP [NH3+]C[C@]1(F)CCCCN(CCC23CC([NH3+])(C2)C3)C1 ZINC001206337707 915541423 /nfs/dbraw/zinc/54/14/23/915541423.db2.gz VNSVRNSQRURGSX-ROKHWSDSSA-N 2 3 255.381 1.411 20 0 CDADHP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cc3c(s2)CCNC3)CC1 ZINC001205221700 919180778 /nfs/dbraw/zinc/18/07/78/919180778.db2.gz WNYPYKJSYHZFNG-OAHLLOKOSA-N 2 3 295.452 1.070 20 0 CDADHP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc3c(s2)CCNC3)CC1 ZINC001205221700 919180786 /nfs/dbraw/zinc/18/07/86/919180786.db2.gz WNYPYKJSYHZFNG-OAHLLOKOSA-N 2 3 295.452 1.070 20 0 CDADHP N[C@H](CCC[NH3+])Nc1ccc2c(c1)C1(CC2)CC[NH2+]CC1 ZINC001170900471 930699931 /nfs/dbraw/zinc/69/99/31/930699931.db2.gz ULCPBGPJPPMLEZ-INIZCTEOSA-N 2 3 288.439 1.690 20 0 CDADHP C[N@@H+]1CC[C@@H](c2ccc(N[C@H](N)CCC[NH3+])cc2)C1 ZINC001170905758 930725619 /nfs/dbraw/zinc/72/56/19/930725619.db2.gz VYGFTIFBBGDKCC-HIFRSBDPSA-N 2 3 262.401 1.541 20 0 CDADHP C[N@H+]1CC[C@@H](c2ccc(N[C@H](N)CCC[NH3+])cc2)C1 ZINC001170905758 930725622 /nfs/dbraw/zinc/72/56/22/930725622.db2.gz VYGFTIFBBGDKCC-HIFRSBDPSA-N 2 3 262.401 1.541 20 0 CDADHP F[C@H]1C[NH2+]CC[C@H]1C[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC001246475446 931510856 /nfs/dbraw/zinc/51/08/56/931510856.db2.gz FUQCAKCPMWEDHD-XQQFMLRXSA-N 2 3 255.381 1.198 20 0 CDADHP C(C1CC2(C1)CC[NH2+]CC2)[N@@H+]1CCC[C@]12CCCNC2 ZINC001222231406 941576675 /nfs/dbraw/zinc/57/66/75/941576675.db2.gz LVVNKXFIJUISKZ-KRWDZBQOSA-N 2 3 277.456 1.984 20 0 CDADHP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CCC[C@]12CCCNC2 ZINC001222231406 941576679 /nfs/dbraw/zinc/57/66/79/941576679.db2.gz LVVNKXFIJUISKZ-KRWDZBQOSA-N 2 3 277.456 1.984 20 0 CDADHP [NH3+]CC1(F)CCN(Cc2cc3c(s2)C[NH2+]CC3)CC1 ZINC001222548374 941612742 /nfs/dbraw/zinc/61/27/42/941612742.db2.gz IXGWSRTZULYYLB-UHFFFAOYSA-N 2 3 283.416 1.657 20 0 CDADHP CNCCC[N@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236539920 944509625 /nfs/dbraw/zinc/50/96/25/944509625.db2.gz DQPOSKPFULCJGA-SHTZXODSSA-N 2 3 253.434 1.968 20 0 CDADHP CNCCC[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236539920 944509628 /nfs/dbraw/zinc/50/96/28/944509628.db2.gz DQPOSKPFULCJGA-SHTZXODSSA-N 2 3 253.434 1.968 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]CC[C@H]2C)C[C@H](C)N1 ZINC001246112702 947963709 /nfs/dbraw/zinc/96/37/09/947963709.db2.gz RHVOCYQUDCCHIA-NIFZNCRKSA-N 2 3 253.434 1.741 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCOC23CC[NH2+]CC3)CCN1 ZINC001246135543 947980905 /nfs/dbraw/zinc/98/09/05/947980905.db2.gz BCCVYJWTVHXDTC-ILXRZTDVSA-N 2 3 281.444 1.265 20 0 CDADHP CCCC[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)CCN1 ZINC001246275845 948072455 /nfs/dbraw/zinc/07/24/55/948072455.db2.gz AWRCJBYRJQFUJZ-RRFJBIMHSA-N 2 3 253.434 1.886 20 0 CDADHP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCN1 ZINC001246364562 948137563 /nfs/dbraw/zinc/13/75/63/948137563.db2.gz IDTDDIHRNBHXPG-GOEBONIOSA-N 2 3 295.471 1.608 20 0 CDADHP [NH3+][C@H]1CC[C@H](N(Cc2ccncc2)C2CC[NH2+]CC2)CC1 ZINC001246445487 948176070 /nfs/dbraw/zinc/17/60/70/948176070.db2.gz INKUMBQZBYINDG-WKILWMFISA-N 2 3 288.439 1.906 20 0 CDADHP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccncc2)C2CCNCC2)CC1 ZINC001246445487 948176075 /nfs/dbraw/zinc/17/60/75/948176075.db2.gz INKUMBQZBYINDG-WKILWMFISA-N 2 3 288.439 1.906 20 0 CDADHP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccncc2)C2CCNCC2)CC1 ZINC001246445487 948176080 /nfs/dbraw/zinc/17/60/80/948176080.db2.gz INKUMBQZBYINDG-WKILWMFISA-N 2 3 288.439 1.906 20 0 CDADHP C(N[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1)[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246460968 948186743 /nfs/dbraw/zinc/18/67/43/948186743.db2.gz MAPLQWDDLAMEKY-FXUDXRNXSA-N 2 3 263.429 1.496 20 0 CDADHP CC[C@@H]1C[C@H]([N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)CCN1 ZINC001246558967 948269006 /nfs/dbraw/zinc/26/90/06/948269006.db2.gz OGBJTSAZKVTLPL-GBJTYRQASA-N 2 3 253.434 1.824 20 0 CDADHP CC[C@@H]1C[C@H]([N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)CCN1 ZINC001246558967 948269014 /nfs/dbraw/zinc/26/90/14/948269014.db2.gz OGBJTSAZKVTLPL-GBJTYRQASA-N 2 3 253.434 1.824 20 0 CDADHP C1C[C@@]2(C[NH2+]1)CCC[C@H]([N@@H+]1CCO[C@@]3(CCCNC3)C1)C2 ZINC001246618376 948352135 /nfs/dbraw/zinc/35/21/35/948352135.db2.gz KKBFXZCHTLCIQO-YESZJQIVSA-N 2 3 293.455 1.363 20 0 CDADHP C1C[C@@]2(C[NH2+]1)CCC[C@H]([N@H+]1CCO[C@@]3(CCCNC3)C1)C2 ZINC001246618376 948352148 /nfs/dbraw/zinc/35/21/48/948352148.db2.gz KKBFXZCHTLCIQO-YESZJQIVSA-N 2 3 293.455 1.363 20 0 CDADHP F[C@@H]1CCNC[C@]12CC[N@@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246698543 948408787 /nfs/dbraw/zinc/40/87/87/948408787.db2.gz YRTFNIYSJYPVBJ-MYBQVCMBSA-N 2 3 295.446 1.932 20 0 CDADHP F[C@@H]1CCNC[C@]12CC[N@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246698543 948408790 /nfs/dbraw/zinc/40/87/90/948408790.db2.gz YRTFNIYSJYPVBJ-MYBQVCMBSA-N 2 3 295.446 1.932 20 0 CDADHP C[C@@H](CN)C[N@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256852382 948434657 /nfs/dbraw/zinc/43/46/57/948434657.db2.gz GTDYKCOUZWEXFN-ZDUSSCGKSA-N 2 3 262.401 1.577 20 0 CDADHP C[C@@H](CN)C[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256852382 948434660 /nfs/dbraw/zinc/43/46/60/948434660.db2.gz GTDYKCOUZWEXFN-ZDUSSCGKSA-N 2 3 262.401 1.577 20 0 CDADHP C[C@H]1C[C@H]([NH+]2CCC(C3CC[NH2+]CC3)CC2)CCN1 ZINC001246797031 948444783 /nfs/dbraw/zinc/44/47/83/948444783.db2.gz UAHOZHKRTAAKPI-XJKSGUPXSA-N 2 3 265.445 1.839 20 0 CDADHP C[C@H]1C[C@H](N2CCC(C3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246797031 948444789 /nfs/dbraw/zinc/44/47/89/948444789.db2.gz UAHOZHKRTAAKPI-XJKSGUPXSA-N 2 3 265.445 1.839 20 0 CDADHP C[C@H]1C[C@@H]([NH+]2CCC(C3CC[NH2+]CC3)CC2)CCN1 ZINC001246797028 948445089 /nfs/dbraw/zinc/44/50/89/948445089.db2.gz UAHOZHKRTAAKPI-BBRMVZONSA-N 2 3 265.445 1.839 20 0 CDADHP C[C@H]1C[C@@H](N2CCC(C3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246797028 948445094 /nfs/dbraw/zinc/44/50/94/948445094.db2.gz UAHOZHKRTAAKPI-BBRMVZONSA-N 2 3 265.445 1.839 20 0 CDADHP C[NH+]1CCC(CC[NH2+]C[C@H](O)CNC(C)(C)C)CC1 ZINC001253385058 951869400 /nfs/dbraw/zinc/86/94/00/951869400.db2.gz RFUYHFGMZZEDDG-AWEZNQCLSA-N 2 3 271.449 1.057 20 0 CDADHP C[NH+]1CCC(CCNC[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253385058 951869405 /nfs/dbraw/zinc/86/94/05/951869405.db2.gz RFUYHFGMZZEDDG-AWEZNQCLSA-N 2 3 271.449 1.057 20 0 CDADHP C[NH+](C)C1CC(C[NH2+][C@@H]2[C@H]3CCCN[C@@H]3C2(C)C)C1 ZINC001553024480 964486496 /nfs/dbraw/zinc/48/64/96/964486496.db2.gz FKUQHIFJPVQNMR-QXRZNBQRSA-N 2 3 265.445 1.693 20 0 CDADHP [NH3+]CC1CCC(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC001553024663 964488949 /nfs/dbraw/zinc/48/89/49/964488949.db2.gz MVMQBCGUFOQOHE-OTSVQJDGSA-N 2 3 263.429 1.338 20 0 CDADHP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@]2(C)CCCNC2)C1 ZINC001578529341 1171942841 /nfs/dbraw/zinc/94/28/41/1171942841.db2.gz UDKUIYFUKQFLMW-GJZGRUSLSA-N 2 3 253.434 1.698 20 0 CDADHP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@]2(C)CCCNC2)C1 ZINC001578529341 1171942846 /nfs/dbraw/zinc/94/28/46/1171942846.db2.gz UDKUIYFUKQFLMW-GJZGRUSLSA-N 2 3 253.434 1.698 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C[C@@H]3CCC[NH2+]C3)C2)C1 ZINC000650707351 398152747 /nfs/dbraw/zinc/15/27/47/398152747.db2.gz DDKYGWMTQUETEG-QXSJWSMHSA-N 2 3 281.444 1.204 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](C[C@@H]3CCCNC3)C2)C1 ZINC000650707351 398152748 /nfs/dbraw/zinc/15/27/48/398152748.db2.gz DDKYGWMTQUETEG-QXSJWSMHSA-N 2 3 281.444 1.204 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C[C@@H]3CCCNC3)C2)C1 ZINC000650707351 398152749 /nfs/dbraw/zinc/15/27/49/398152749.db2.gz DDKYGWMTQUETEG-QXSJWSMHSA-N 2 3 281.444 1.204 20 0 CDADHP C[NH2+]Cc1ccccc1CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000650755978 398179115 /nfs/dbraw/zinc/17/91/15/398179115.db2.gz QWOHBVLVGBSKTE-CZUORRHYSA-N 2 3 261.413 1.884 20 0 CDADHP NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333846007 363186015 /nfs/dbraw/zinc/18/60/15/363186015.db2.gz PDKOSOBWBQSNBR-JARUQAPTSA-N 2 3 251.418 1.482 20 0 CDADHP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000643536650 361213823 /nfs/dbraw/zinc/21/38/23/361213823.db2.gz UAMPHIATTIRWFJ-NUEKZKHPSA-N 2 3 273.424 1.677 20 0 CDADHP [NH3+]CCCOC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000420284672 244023705 /nfs/dbraw/zinc/02/37/05/244023705.db2.gz DFOBZSZYHBMWSH-UHFFFAOYSA-N 2 3 283.460 1.692 20 0 CDADHP C(C[N@@H+]1CC[C@H](CN2CCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000420315644 244070933 /nfs/dbraw/zinc/07/09/33/244070933.db2.gz LAMRZHNAJHJXIC-HZPDHXFCSA-N 2 3 265.445 1.794 20 0 CDADHP C(C[N@H+]1CC[C@H](CN2CCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000420315644 244070937 /nfs/dbraw/zinc/07/09/37/244070937.db2.gz LAMRZHNAJHJXIC-HZPDHXFCSA-N 2 3 265.445 1.794 20 0 CDADHP C(CN1CC[C@H](C[NH+]2CCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000420315644 244070942 /nfs/dbraw/zinc/07/09/42/244070942.db2.gz LAMRZHNAJHJXIC-HZPDHXFCSA-N 2 3 265.445 1.794 20 0 CDADHP C[C@H](CCC[NH3+])[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000422907131 245393124 /nfs/dbraw/zinc/39/31/24/245393124.db2.gz BCOANTZDYRRHCJ-RBSFLKMASA-N 2 3 271.449 1.593 20 0 CDADHP C[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCCNC1 ZINC000647547532 390990128 /nfs/dbraw/zinc/99/01/28/390990128.db2.gz YIWIIFQCUHMSHX-TUVASFSCSA-N 2 3 251.418 1.354 20 0 CDADHP C(C[N@@H+]1CC[C@@H](CN2CCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420315641 533365510 /nfs/dbraw/zinc/36/55/10/533365510.db2.gz LAMRZHNAJHJXIC-HOTGVXAUSA-N 2 3 265.445 1.794 20 0 CDADHP C(C[N@H+]1CC[C@@H](CN2CCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420315641 533365512 /nfs/dbraw/zinc/36/55/12/533365512.db2.gz LAMRZHNAJHJXIC-HOTGVXAUSA-N 2 3 265.445 1.794 20 0 CDADHP C(CN1CC[C@@H](C[NH+]2CCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420315641 533365513 /nfs/dbraw/zinc/36/55/13/533365513.db2.gz LAMRZHNAJHJXIC-HOTGVXAUSA-N 2 3 265.445 1.794 20 0 CDADHP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000415022909 391727387 /nfs/dbraw/zinc/72/73/87/391727387.db2.gz MAVXKPSGQLHKPW-AWEZNQCLSA-N 2 3 279.428 1.844 20 0 CDADHP C([C@H]1CCC[NH2+]C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000334852805 391965948 /nfs/dbraw/zinc/96/59/48/391965948.db2.gz ZYEIQMPXBPIGTM-ZFWWWQNUSA-N 2 3 251.418 1.450 20 0 CDADHP C([C@H]1CCCNC1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000334852805 391965950 /nfs/dbraw/zinc/96/59/50/391965950.db2.gz ZYEIQMPXBPIGTM-ZFWWWQNUSA-N 2 3 251.418 1.450 20 0 CDADHP COCC1(CN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC[NH2+]CC1 ZINC000414975937 292246532 /nfs/dbraw/zinc/24/65/32/292246532.db2.gz OUNBCNKRZSQFBP-HOTGVXAUSA-N 2 3 297.487 1.903 20 0 CDADHP [NH3+]CC1(CN2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000656782616 413650590 /nfs/dbraw/zinc/65/05/90/413650590.db2.gz HVFRHASDUMEOLG-AWEZNQCLSA-N 2 3 251.418 1.437 20 0 CDADHP N[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000665233741 413957611 /nfs/dbraw/zinc/95/76/11/413957611.db2.gz OGEUBTNDMBTRSD-CVEARBPZSA-N 2 3 295.471 1.737 20 0 CDADHP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CC[NH2+]C[C@H]2C)C[C@H]1CN ZINC000663496751 423888886 /nfs/dbraw/zinc/88/88/86/423888886.db2.gz JAUMJMSRCVDOPU-NIFZNCRKSA-N 2 3 253.434 1.537 20 0 CDADHP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC[NH2+]C[C@H]2C)C[C@H]1CN ZINC000663496751 423888895 /nfs/dbraw/zinc/88/88/95/423888895.db2.gz JAUMJMSRCVDOPU-NIFZNCRKSA-N 2 3 253.434 1.537 20 0 CDADHP C[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H]1CCN ZINC000652355905 424304606 /nfs/dbraw/zinc/30/46/06/424304606.db2.gz LZFWEBMNDHARLP-QLFBSQMISA-N 2 3 253.434 1.825 20 0 CDADHP C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H]1CCN ZINC000652355905 424304611 /nfs/dbraw/zinc/30/46/11/424304611.db2.gz LZFWEBMNDHARLP-QLFBSQMISA-N 2 3 253.434 1.825 20 0 CDADHP CCO[C@H](CC[NH+](C)C)CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000568248581 293999169 /nfs/dbraw/zinc/99/91/69/293999169.db2.gz VGQSBMHQCLSBBJ-HZSPNIEDSA-N 2 3 257.422 1.203 20 0 CDADHP C[C@@H](CC[NH3+])NCc1ccc(OCC[NH+](C)C)cc1 ZINC000666831978 482942650 /nfs/dbraw/zinc/94/26/50/482942650.db2.gz YDSXZYVGFDVBHZ-ZDUSSCGKSA-N 2 3 265.401 1.454 20 0 CDADHP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCCC[C@H]2N)CC1 ZINC000422857071 535694245 /nfs/dbraw/zinc/69/42/45/535694245.db2.gz GTLWPJSOSUTRGD-SJORKVTESA-N 2 3 296.503 1.654 20 0 CDADHP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC(C)(C)O)CC2)C1 ZINC000877073099 1165970176 /nfs/dbraw/zinc/97/01/76/1165970176.db2.gz CKSUBJNSLLFQMS-HZPDHXFCSA-N 2 3 297.487 1.684 20 0 CDADHP CN(CCN(C)C1CC[NH+](C)CC1)C[C@]1(C)CCC[NH2+]C1 ZINC001578524631 1171939903 /nfs/dbraw/zinc/93/99/03/1171939903.db2.gz GCTRBUBAFDJEGW-QGZVFWFLSA-N 2 3 296.503 1.334 20 0 CDADHP CC[C@H](NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]1 ZINC000873260597 783725619 /nfs/dbraw/zinc/72/56/19/783725619.db2.gz DJUBDWBDUYUOSB-AICCOOGYSA-N 2 3 251.418 1.637 20 0 CDADHP CN(C)CC[NH+](CCN(C)C)C1CCC([NH+](C)C)CC1 ZINC001168323083 909027138 /nfs/dbraw/zinc/02/71/38/909027138.db2.gz PQXFMAGXMYOHOE-UHFFFAOYSA-N 2 3 284.492 1.284 20 0 CDADHP C[N@@H+]1CC[C@@H](c2ccc(N[C@@H](N)CCC[NH3+])cc2)C1 ZINC001170905760 930726646 /nfs/dbraw/zinc/72/66/46/930726646.db2.gz VYGFTIFBBGDKCC-UKRRQHHQSA-N 2 3 262.401 1.541 20 0 CDADHP C[N@H+]1CC[C@@H](c2ccc(N[C@@H](N)CCC[NH3+])cc2)C1 ZINC001170905760 930726650 /nfs/dbraw/zinc/72/66/50/930726650.db2.gz VYGFTIFBBGDKCC-UKRRQHHQSA-N 2 3 262.401 1.541 20 0 CDADHP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCN1 ZINC001246205298 931202144 /nfs/dbraw/zinc/20/21/44/931202144.db2.gz LMPHUKTZAUSIPP-KBUPBQIOSA-N 2 3 253.434 1.872 20 0 CDADHP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N[C@]1(C)CCCN(C)C1 ZINC001221244248 941506818 /nfs/dbraw/zinc/50/68/18/941506818.db2.gz UFFFQVVHHGYTQP-GOEBONIOSA-N 2 3 298.475 1.083 20 0 CDADHP C(C[N@@H+]1CCC[C@]12CCCNC2)C1CC[NH2+]CC1 ZINC001222232549 941576019 /nfs/dbraw/zinc/57/60/19/941576019.db2.gz VZQCSMLJEVNMRL-HNNXBMFYSA-N 2 3 251.418 1.594 20 0 CDADHP C(C[N@H+]1CCC[C@]12CCCNC2)C1CC[NH2+]CC1 ZINC001222232549 941576020 /nfs/dbraw/zinc/57/60/20/941576020.db2.gz VZQCSMLJEVNMRL-HNNXBMFYSA-N 2 3 251.418 1.594 20 0 CDADHP c1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc2c1CNC2 ZINC001235106372 944054115 /nfs/dbraw/zinc/05/41/15/944054115.db2.gz LVRVEDGKEUDSCC-UHFFFAOYSA-N 2 3 271.408 1.865 20 0 CDADHP [NH3+]CCCC[N@H+](Cc1ccccc1)C1CCNCC1 ZINC001236287364 944446641 /nfs/dbraw/zinc/44/66/41/944446641.db2.gz SEZRPAMNQJLESK-UHFFFAOYSA-N 2 3 261.413 1.980 20 0 CDADHP [NH3+]CCCC[N@@H+](Cc1ccccc1)C1CCNCC1 ZINC001236287364 944446644 /nfs/dbraw/zinc/44/66/44/944446644.db2.gz SEZRPAMNQJLESK-UHFFFAOYSA-N 2 3 261.413 1.980 20 0 CDADHP [NH3+]CCCCN(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236287364 944446648 /nfs/dbraw/zinc/44/66/48/944446648.db2.gz SEZRPAMNQJLESK-UHFFFAOYSA-N 2 3 261.413 1.980 20 0 CDADHP CC(C)(C)[NH2+]C[C@@H](O)CN1CCC[C@](C)(C[NH3+])CC1 ZINC001246020100 947901653 /nfs/dbraw/zinc/90/16/53/947901653.db2.gz HQPZDXQKCUYAMB-HIFRSBDPSA-N 2 3 271.449 1.186 20 0 CDADHP CC(C)(C)NC[C@@H](O)C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246020100 947901657 /nfs/dbraw/zinc/90/16/57/947901657.db2.gz HQPZDXQKCUYAMB-HIFRSBDPSA-N 2 3 271.449 1.186 20 0 CDADHP CC(C)(C)NC[C@@H](O)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246020100 947901658 /nfs/dbraw/zinc/90/16/58/947901658.db2.gz HQPZDXQKCUYAMB-HIFRSBDPSA-N 2 3 271.449 1.186 20 0 CDADHP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001246109765 947961704 /nfs/dbraw/zinc/96/17/04/947961704.db2.gz KVNQWMIYWGYDSM-GVRJEKJASA-N 2 3 265.445 1.979 20 0 CDADHP C[C@@H]1CC[C@@H](CN[C@@H]2CCC3(C2)CC[NH2+]CC3)[NH2+]C1 ZINC001246113862 947966110 /nfs/dbraw/zinc/96/61/10/947966110.db2.gz OCPIXQILVOMKBB-KFWWJZLASA-N 2 3 265.445 1.886 20 0 CDADHP CC[NH+](CC)C1CCC([NH2+][C@H]2CNCC23CC3)CC1 ZINC001246132224 947978231 /nfs/dbraw/zinc/97/82/31/947978231.db2.gz LFKDBDHAMSIRBC-NRXISQOPSA-N 2 3 265.445 1.981 20 0 CDADHP CC[C@H]1CC(NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)C[C@H](CC)[NH2+]1 ZINC001246147989 947989454 /nfs/dbraw/zinc/98/94/54/947989454.db2.gz NLPAXBNURNEORV-GADBESIXSA-N 2 3 281.444 1.262 20 0 CDADHP CCC[NH2+]CCNC1CCC2(CCC[NH2+]C2)CC1 ZINC001246268091 948067353 /nfs/dbraw/zinc/06/73/53/948067353.db2.gz HQFPNZPQQUCPAI-UHFFFAOYSA-N 2 3 253.434 1.888 20 0 CDADHP COc1ccc2c(c1)C[C@@H](NCCC[NH2+]CCCC[NH3+])C2 ZINC001246460224 948185116 /nfs/dbraw/zinc/18/51/16/948185116.db2.gz ZWIOZUZJIDPYOE-INIZCTEOSA-N 2 3 291.439 1.471 20 0 CDADHP [NH3+]Cc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246483693 948199411 /nfs/dbraw/zinc/19/94/11/948199411.db2.gz NLECVMMHXZAAHD-XYPWUTKMSA-N 2 3 259.397 1.560 20 0 CDADHP C1[NH2+]CC12CCC([N@@H+]1CC[C@]3(C1)CCCCN3)CC2 ZINC001246627840 948364245 /nfs/dbraw/zinc/36/42/45/948364245.db2.gz XUTSTNJRRZRDOY-INIZCTEOSA-N 2 3 263.429 1.737 20 0 CDADHP C1[NH2+]CC12CCC([N@H+]1CC[C@]3(C1)CCCCN3)CC2 ZINC001246627840 948364255 /nfs/dbraw/zinc/36/42/55/948364255.db2.gz XUTSTNJRRZRDOY-INIZCTEOSA-N 2 3 263.429 1.737 20 0 CDADHP CCCC[C@@H]1C[C@H]([N@@H+]2CC[C@H](C3C[NH2+]C3)C2)CCN1 ZINC001246676728 948401226 /nfs/dbraw/zinc/40/12/26/948401226.db2.gz FXKADPKQLUJXCK-NUEKZKHPSA-N 2 3 265.445 1.839 20 0 CDADHP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@H](C3C[NH2+]C3)C2)CCN1 ZINC001246676728 948401232 /nfs/dbraw/zinc/40/12/32/948401232.db2.gz FXKADPKQLUJXCK-NUEKZKHPSA-N 2 3 265.445 1.839 20 0 CDADHP CC(C)[C@@H]1C[C@H](N2CCC(C3C[NH2+]C3)CC2)CC[NH2+]1 ZINC001246676215 948401744 /nfs/dbraw/zinc/40/17/44/948401744.db2.gz CWALSMDSVMFMFQ-CVEARBPZSA-N 2 3 265.445 1.694 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H]1CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001550349425 965868478 /nfs/dbraw/zinc/86/84/78/965868478.db2.gz OJZGVTURDIQHOI-YIDVYQOGSA-N 2 3 281.444 1.060 20 0 CDADHP C[C@H]1C[NH2+]C[C@H]1CN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001551391341 966605290 /nfs/dbraw/zinc/60/52/90/966605290.db2.gz DBLDXXNYXMKMTE-HOTGVXAUSA-N 2 3 287.451 1.834 20 0 CDADHP CC[NH+]1CCC(C[NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000089145853 349280690 /nfs/dbraw/zinc/28/06/90/349280690.db2.gz FEHOCHDBKHCPKR-CABCVRRESA-N 2 3 253.434 1.825 20 0 CDADHP CC1(C)CNCC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000634733779 358072095 /nfs/dbraw/zinc/07/20/95/358072095.db2.gz NQXRRVVOKLJFSK-JXQTWKCFSA-N 2 3 253.434 1.872 20 0 CDADHP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000422836306 359661219 /nfs/dbraw/zinc/66/12/19/359661219.db2.gz QYPMPEPQVCBZJW-IPYPFGDCSA-N 2 3 251.418 1.448 20 0 CDADHP C[C@H](CCC[NH3+])[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000422907129 245394643 /nfs/dbraw/zinc/39/46/43/245394643.db2.gz BCOANTZDYRRHCJ-ILXRZTDVSA-N 2 3 271.449 1.593 20 0 CDADHP C1CC2(C1)C[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CCN2 ZINC000647547723 390993655 /nfs/dbraw/zinc/99/36/55/390993655.db2.gz ACYAXLJOOPMTNE-GBJTYRQASA-N 2 3 263.429 1.639 20 0 CDADHP C[C@@H]1C[C@H](C[NH2+][C@@H]2CNC[C@H]2c2ccccc2)CC[NH2+]1 ZINC000415053171 391744610 /nfs/dbraw/zinc/74/46/10/391744610.db2.gz OIWIJAWGALRFLT-TXCZRRACSA-N 2 3 273.424 1.720 20 0 CDADHP C(CC1CC[NH2+]CC1)CN(C1CC1)C1CC[NH2+]CC1 ZINC000647815461 391803665 /nfs/dbraw/zinc/80/36/65/391803665.db2.gz FRVOUJREESKMIK-UHFFFAOYSA-N 2 3 265.445 1.983 20 0 CDADHP C[C@H]1CCNCC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000423087916 392333613 /nfs/dbraw/zinc/33/36/13/392333613.db2.gz PCEXYWXYVUICDK-BBRMVZONSA-N 2 3 265.445 1.839 20 0 CDADHP COCC1(CN[C@H](C)[C@H]2CCCC[NH2+]2)CC[NH2+]CC1 ZINC000423409421 392560038 /nfs/dbraw/zinc/56/00/38/392560038.db2.gz PZWAPBJOPCBXFQ-ZIAGYGMSSA-N 2 3 269.433 1.123 20 0 CDADHP [NH3+]CC[C@H]1CCC[N@H+](Cc2cccc3c2CCNC3)C1 ZINC000662270559 414603652 /nfs/dbraw/zinc/60/36/52/414603652.db2.gz AKDTXJFDTBDAFM-CQSZACIVSA-N 2 3 273.424 1.893 20 0 CDADHP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc3c2CCNC3)C1 ZINC000662270559 414603655 /nfs/dbraw/zinc/60/36/55/414603655.db2.gz AKDTXJFDTBDAFM-CQSZACIVSA-N 2 3 273.424 1.893 20 0 CDADHP [NH3+][C@@H]1CC[C@H]2CN(Cc3cccc4c3CC[NH2+]C4)C[C@H]12 ZINC000662265297 423807930 /nfs/dbraw/zinc/80/79/30/423807930.db2.gz GSDWZFOVUAKAPD-BHYGNILZSA-N 2 3 271.408 1.501 20 0 CDADHP NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423435494 303402226 /nfs/dbraw/zinc/40/22/26/303402226.db2.gz ZBOVRKCPNYPECP-ZQDZILKHSA-N 2 3 253.434 1.859 20 0 CDADHP CN(C)CCOc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000666787348 483156625 /nfs/dbraw/zinc/15/66/25/483156625.db2.gz JTLWZSJNAIBFPV-INIZCTEOSA-N 2 3 291.439 1.716 20 0 CDADHP CN1CCC[C@@H](C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902351037 624715454 /nfs/dbraw/zinc/71/54/54/624715454.db2.gz VMBSWVPHSZAMQH-UONOGXRCSA-N 2 3 253.434 1.696 20 0 CDADHP C[C@]1(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)CCCNC1 ZINC000904350960 626262598 /nfs/dbraw/zinc/26/25/98/626262598.db2.gz SGPFGEBEAKYFRR-AWEZNQCLSA-N 2 3 251.418 1.452 20 0 CDADHP C[C@]1(C[N@H+]2CCC3(C2)CC[NH2+]CC3)CCCNC1 ZINC000904350960 626262601 /nfs/dbraw/zinc/26/26/01/626262601.db2.gz SGPFGEBEAKYFRR-AWEZNQCLSA-N 2 3 251.418 1.452 20 0 CDADHP C[C@@H]1C[C@@H](C)N(Cc2ccc(C[NH3+])cc2)C[C@@H]1C[NH3+] ZINC000904372729 626268403 /nfs/dbraw/zinc/26/84/03/626268403.db2.gz HWHBOZNQIOGOSC-IOASZLSFSA-N 2 3 261.413 1.951 20 0 CDADHP CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000848996499 791677197 /nfs/dbraw/zinc/67/71/97/791677197.db2.gz ZNCYDVRPDBJHQN-CABCVRRESA-N 2 3 295.475 1.315 20 0 CDADHP CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000848996499 791677210 /nfs/dbraw/zinc/67/72/10/791677210.db2.gz ZNCYDVRPDBJHQN-CABCVRRESA-N 2 3 295.475 1.315 20 0 CDADHP C[C@H]1CC[N@H+](CC2CC3(C2)CC[NH2+]CC3)C[C@H]1CN ZINC001205296612 919135566 /nfs/dbraw/zinc/13/55/66/919135566.db2.gz RQQCPQFMVYBNQQ-DZGCQCFKSA-N 2 3 265.445 1.683 20 0 CDADHP C[C@H]1CC[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C[C@H]1CN ZINC001205296612 919135574 /nfs/dbraw/zinc/13/55/74/919135574.db2.gz RQQCPQFMVYBNQQ-DZGCQCFKSA-N 2 3 265.445 1.683 20 0 CDADHP C[C@@H]1CCN(Cc2ccc3c(c2)CC[NH2+]C3)C[C@H]1C[NH3+] ZINC001205303224 919219315 /nfs/dbraw/zinc/21/93/15/919219315.db2.gz BBSJUSXPKMVVAT-CXAGYDPISA-N 2 3 273.424 1.749 20 0 CDADHP C1NCC12CCC[N@@H+]([C@@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246789662 932210698 /nfs/dbraw/zinc/21/06/98/932210698.db2.gz DUAMPOBIPAQKBY-HUUCEWRRSA-N 2 3 263.429 1.594 20 0 CDADHP C1NCC12CCC[N@H+]([C@@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246789662 932210704 /nfs/dbraw/zinc/21/07/04/932210704.db2.gz DUAMPOBIPAQKBY-HUUCEWRRSA-N 2 3 263.429 1.594 20 0 CDADHP [NH3+]CCCCCC[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235405485 944146144 /nfs/dbraw/zinc/14/61/44/944146144.db2.gz PEWXUBUFKPUOKS-UONOGXRCSA-N 2 3 257.397 1.529 20 0 CDADHP [NH3+]CCCCCC[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235405485 944146147 /nfs/dbraw/zinc/14/61/47/944146147.db2.gz PEWXUBUFKPUOKS-UONOGXRCSA-N 2 3 257.397 1.529 20 0 CDADHP [NH3+]CCCCCCN1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235405485 944146151 /nfs/dbraw/zinc/14/61/51/944146151.db2.gz PEWXUBUFKPUOKS-UONOGXRCSA-N 2 3 257.397 1.529 20 0 CDADHP C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)[C@@H]1CNCCO1 ZINC001235429026 944152970 /nfs/dbraw/zinc/15/29/70/944152970.db2.gz WIHXTISCRDZJRX-OWCLPIDISA-N 2 3 281.444 1.077 20 0 CDADHP C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)[C@@H]1CNCCO1 ZINC001235429026 944152972 /nfs/dbraw/zinc/15/29/72/944152972.db2.gz WIHXTISCRDZJRX-OWCLPIDISA-N 2 3 281.444 1.077 20 0 CDADHP C[N@H+](CC1CC2(C1)CC[NH2+]CC2)C[C@H]1CCCNC1 ZINC001235950446 944329429 /nfs/dbraw/zinc/32/94/29/944329429.db2.gz GNWFUGFUMKRAMA-AWEZNQCLSA-N 2 3 265.445 1.698 20 0 CDADHP C[N@@H+](CC1CC2(C1)CC[NH2+]CC2)C[C@H]1CCCNC1 ZINC001235950446 944329436 /nfs/dbraw/zinc/32/94/36/944329436.db2.gz GNWFUGFUMKRAMA-AWEZNQCLSA-N 2 3 265.445 1.698 20 0 CDADHP [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc4c(c3)CC[NH2+]C4)C[C@@H]12 ZINC001236822429 944582991 /nfs/dbraw/zinc/58/29/91/944582991.db2.gz YPOYQCFSXAPKNC-BRWVUGGUSA-N 2 3 271.408 1.501 20 0 CDADHP CC1(C)C[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]CC2)CCN1 ZINC001246096737 947948041 /nfs/dbraw/zinc/94/80/41/947948041.db2.gz WCHHTOQUOPACKN-ZFWWWQNUSA-N 2 3 253.434 1.886 20 0 CDADHP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]CC[C@@H]2C)CCN1 ZINC001246115422 947968383 /nfs/dbraw/zinc/96/83/83/947968383.db2.gz YPIREGKXKCOOPJ-BYNSBNAKSA-N 2 3 253.434 1.742 20 0 CDADHP CC[C@@H]1CC(NC[C@@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)C[C@@H](CC)[NH2+]1 ZINC001246134521 947979094 /nfs/dbraw/zinc/97/90/94/947979094.db2.gz NLPAXBNURNEORV-UVQHHTHUSA-N 2 3 281.444 1.262 20 0 CDADHP CC[C@@H]1C[C@@H](NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)C[C@H](CC)[NH2+]1 ZINC001246153248 947994225 /nfs/dbraw/zinc/99/42/25/947994225.db2.gz YBKKSQCTWXMMDW-XJTKPRQNSA-N 2 3 295.471 1.510 20 0 CDADHP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246418440 948165680 /nfs/dbraw/zinc/16/56/80/948165680.db2.gz QVCAPPVZVGRDBZ-KGLIPLIRSA-N 2 3 286.464 1.069 20 0 CDADHP C[C@@H]1C[N@@H+]([C@H]2CCNC(C)(C)C2)CCC[C@H]1C[NH3+] ZINC001246571658 948291566 /nfs/dbraw/zinc/29/15/66/948291566.db2.gz WRAKUBKWPNVVEG-RDBSUJKOSA-N 2 3 253.434 1.824 20 0 CDADHP C[C@@H]1C[N@H+]([C@H]2CCNC(C)(C)C2)CCC[C@H]1C[NH3+] ZINC001246571658 948291575 /nfs/dbraw/zinc/29/15/75/948291575.db2.gz WRAKUBKWPNVVEG-RDBSUJKOSA-N 2 3 253.434 1.824 20 0 CDADHP C[C@H]1C[C@@H]([N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CCN1 ZINC001246641954 948378593 /nfs/dbraw/zinc/37/85/93/948378593.db2.gz ALSZSOKQPKIVAK-CWRNSKLLSA-N 2 3 265.445 1.981 20 0 CDADHP C[C@H]1C[C@@H]([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CCN1 ZINC001246641954 948378596 /nfs/dbraw/zinc/37/85/96/948378596.db2.gz ALSZSOKQPKIVAK-CWRNSKLLSA-N 2 3 265.445 1.981 20 0 CDADHP F[C@@H]1CCNC[C@]12CC[N@@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246693820 948406690 /nfs/dbraw/zinc/40/66/90/948406690.db2.gz QUGGBOLUTYLKQD-INMHGKMJSA-N 2 3 295.446 1.932 20 0 CDADHP F[C@@H]1CCNC[C@]12CC[N@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246693820 948406693 /nfs/dbraw/zinc/40/66/93/948406693.db2.gz QUGGBOLUTYLKQD-INMHGKMJSA-N 2 3 295.446 1.932 20 0 CDADHP C1[C@H]2CCNC[C@H]2C[N@@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246843419 948471954 /nfs/dbraw/zinc/47/19/54/948471954.db2.gz GGFMOZRWGUWSDX-CABCVRRESA-N 2 3 277.456 1.840 20 0 CDADHP C1[C@H]2CCNC[C@H]2C[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246843419 948471957 /nfs/dbraw/zinc/47/19/57/948471957.db2.gz GGFMOZRWGUWSDX-CABCVRRESA-N 2 3 277.456 1.840 20 0 CDADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC001553024557 964486010 /nfs/dbraw/zinc/48/60/10/964486010.db2.gz HZLPYVSYXZBXSJ-RGDJUOJXSA-N 2 3 251.418 1.480 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H]1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001550349910 965870915 /nfs/dbraw/zinc/87/09/15/965870915.db2.gz UVSLBUFEFYCMCU-DTZQCDIJSA-N 2 3 281.444 1.060 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H]1CN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC001550350209 965872646 /nfs/dbraw/zinc/87/26/46/965872646.db2.gz KNCBYTQPNCZDIY-OXGONZEZSA-N 2 3 281.444 1.203 20 0 CDADHP CCOC(=O)C1([C@H](C)N[C@H]2CCC[NH2+]CC2)CC[NH2+]CC1 ZINC000591578347 342637738 /nfs/dbraw/zinc/63/77/38/342637738.db2.gz ULWOPKAMPLQZBT-KBPBESRZSA-N 2 3 297.443 1.040 20 0 CDADHP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCNCC2)CC[NH2+]CC1 ZINC000591578347 342637739 /nfs/dbraw/zinc/63/77/39/342637739.db2.gz ULWOPKAMPLQZBT-KBPBESRZSA-N 2 3 297.443 1.040 20 0 CDADHP CC[NH+]1CCC(C[NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000089145856 349280532 /nfs/dbraw/zinc/28/05/32/349280532.db2.gz FEHOCHDBKHCPKR-GJZGRUSLSA-N 2 3 253.434 1.825 20 0 CDADHP C[C@H]1CC[NH2+]CC[C@@H]1NCc1cccc2c1CC[NH2+]C2 ZINC000635010998 360654093 /nfs/dbraw/zinc/65/40/93/360654093.db2.gz OQOXGPXUGPOKBA-GUYCJALGSA-N 2 3 273.424 1.810 20 0 CDADHP [NH3+][C@@H]1CCC[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)C1 ZINC000635011417 360655085 /nfs/dbraw/zinc/65/50/85/360655085.db2.gz NQOYNEAHMGPCOZ-OLZOCXBDSA-N 2 3 275.400 1.173 20 0 CDADHP CN(CC[C@@H]1CCC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420327244 244091343 /nfs/dbraw/zinc/09/13/43/244091343.db2.gz YINSJTXFRLEHOC-RDGKXADDSA-N 2 3 251.418 1.591 20 0 CDADHP CN1CCC(N2CC[C@H]([NH2+]C3CCC(C[NH3+])CC3)C2)CC1 ZINC000643452307 370467059 /nfs/dbraw/zinc/46/70/59/370467059.db2.gz FAHPRTZKOSPXTL-GPANFISMSA-N 2 3 294.487 1.262 20 0 CDADHP C(C[NH+]1CCC(N2CCCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000384349338 373171512 /nfs/dbraw/zinc/17/15/12/373171512.db2.gz DMLKUMJSQRHSSX-CQSZACIVSA-N 2 3 251.418 1.546 20 0 CDADHP C[C@@H]1CCCC[N@@H+]1CCCCNC[C@@H](O)C[NH+](C)C1CC1 ZINC000584405706 373723024 /nfs/dbraw/zinc/72/30/24/373723024.db2.gz WVWUQMPUTJKYDA-NVXWUHKLSA-N 2 3 297.487 1.686 20 0 CDADHP C[C@@H]1CCCC[N@H+]1CCCCNC[C@@H](O)C[NH+](C)C1CC1 ZINC000584405706 373723031 /nfs/dbraw/zinc/72/30/31/373723031.db2.gz WVWUQMPUTJKYDA-NVXWUHKLSA-N 2 3 297.487 1.686 20 0 CDADHP C[C@@H]1CCCC[NH+]1CCCCNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000584405706 373723038 /nfs/dbraw/zinc/72/30/38/373723038.db2.gz WVWUQMPUTJKYDA-NVXWUHKLSA-N 2 3 297.487 1.686 20 0 CDADHP C[C@@H]1CCCC[NH+]1CCCCNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000584405706 373723044 /nfs/dbraw/zinc/72/30/44/373723044.db2.gz WVWUQMPUTJKYDA-NVXWUHKLSA-N 2 3 297.487 1.686 20 0 CDADHP c1cc(N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)cc[nH+]1 ZINC000649414756 392202968 /nfs/dbraw/zinc/20/29/68/392202968.db2.gz VSNGMXYJQBJEDM-AWEZNQCLSA-N 2 3 260.385 1.203 20 0 CDADHP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)CN1CCCC1 ZINC000400908256 424416363 /nfs/dbraw/zinc/41/63/63/424416363.db2.gz AAKLJMYUMJLIKC-LVQVYYBASA-N 2 3 265.445 1.696 20 0 CDADHP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000422746542 289153014 /nfs/dbraw/zinc/15/30/14/289153014.db2.gz WUZOTQBEPWUGKM-DLBZAZTESA-N 2 3 296.503 1.367 20 0 CDADHP CSC1(C[NH2+][C@H]2CCC[C@@H](N)C2)CC[NH+](C)CC1 ZINC000568651393 294078900 /nfs/dbraw/zinc/07/89/00/294078900.db2.gz SDEUSVGAWZYAFR-OLZOCXBDSA-N 2 3 271.474 1.673 20 0 CDADHP C[N@H+](CC1CC1)C[C@H]1CCN(CC2CC[NH+](C)CC2)C1 ZINC000892143732 617505072 /nfs/dbraw/zinc/50/50/72/617505072.db2.gz KNHUJKKCKDEFQQ-QGZVFWFLSA-N 2 3 279.472 1.992 20 0 CDADHP C[N@@H+](CC1CC1)C[C@H]1CCN(CC2CC[NH+](C)CC2)C1 ZINC000892143732 617505075 /nfs/dbraw/zinc/50/50/75/617505075.db2.gz KNHUJKKCKDEFQQ-QGZVFWFLSA-N 2 3 279.472 1.992 20 0 CDADHP C[NH+]1CCC(O)(C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925622872 617569635 /nfs/dbraw/zinc/56/96/35/617569635.db2.gz NLJJZHHXNHRNDB-HOTGVXAUSA-N 2 3 295.471 1.201 20 0 CDADHP C[C@]1(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)CCC[NH2+]C1 ZINC000904373737 626269238 /nfs/dbraw/zinc/26/92/38/626269238.db2.gz VRIHOTICVYIBGN-ULQDDVLXSA-N 2 3 295.471 1.594 20 0 CDADHP CN1CCC[C@@H]1CC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931438356 797014861 /nfs/dbraw/zinc/01/48/61/797014861.db2.gz KDTULIXKKIMGAN-RRFJBIMHSA-N 2 3 251.418 1.354 20 0 CDADHP CN1CCC[C@@H]1CC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931438356 797014867 /nfs/dbraw/zinc/01/48/67/797014867.db2.gz KDTULIXKKIMGAN-RRFJBIMHSA-N 2 3 251.418 1.354 20 0 CDADHP CN1CCC[C@@H]1CC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931438356 797014882 /nfs/dbraw/zinc/01/48/82/797014882.db2.gz KDTULIXKKIMGAN-RRFJBIMHSA-N 2 3 251.418 1.354 20 0 CDADHP CN1CCC[C@@H]1CC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931438356 797014893 /nfs/dbraw/zinc/01/48/93/797014893.db2.gz KDTULIXKKIMGAN-RRFJBIMHSA-N 2 3 251.418 1.354 20 0 CDADHP C[C@@]1(CN)CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923357156 797326290 /nfs/dbraw/zinc/32/62/90/797326290.db2.gz WZHGZVLQNGXAKS-DKUMPPAJSA-N 2 3 251.418 1.578 20 0 CDADHP C[C@@]1(CN)CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923357156 797326300 /nfs/dbraw/zinc/32/63/00/797326300.db2.gz WZHGZVLQNGXAKS-DKUMPPAJSA-N 2 3 251.418 1.578 20 0 CDADHP CN1C[C@@H]2C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]2C1 ZINC001172123344 911303719 /nfs/dbraw/zinc/30/37/19/911303719.db2.gz CIMGYNIJWUENND-HUSMAVQQSA-N 2 3 263.429 1.495 20 0 CDADHP CN1C[C@@H]2C[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]2C1 ZINC001172123344 911303739 /nfs/dbraw/zinc/30/37/39/911303739.db2.gz CIMGYNIJWUENND-HUSMAVQQSA-N 2 3 263.429 1.495 20 0 CDADHP CN1C[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C[C@@H]2C1 ZINC001172123344 911303758 /nfs/dbraw/zinc/30/37/58/911303758.db2.gz CIMGYNIJWUENND-HUSMAVQQSA-N 2 3 263.429 1.495 20 0 CDADHP CN1C[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C[C@@H]2C1 ZINC001172123344 911303777 /nfs/dbraw/zinc/30/37/77/911303777.db2.gz CIMGYNIJWUENND-HUSMAVQQSA-N 2 3 263.429 1.495 20 0 CDADHP C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@@H]1CN ZINC001246552559 931735709 /nfs/dbraw/zinc/73/57/09/931735709.db2.gz QDRVEONXCNIMTK-QKPAOTATSA-N 2 3 265.445 1.825 20 0 CDADHP C[C@@H]1CC[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@@H]1CN ZINC001246552559 931735713 /nfs/dbraw/zinc/73/57/13/931735713.db2.gz QDRVEONXCNIMTK-QKPAOTATSA-N 2 3 265.445 1.825 20 0 CDADHP C[C@@H]1CC[N@@H+]([C@@H]2CCNC3(CCC3)C2)CC[C@H]1C[NH3+] ZINC001246560703 931784652 /nfs/dbraw/zinc/78/46/52/931784652.db2.gz SBMFVVABMUBZQO-QLFBSQMISA-N 2 3 265.445 1.968 20 0 CDADHP C[C@@H]1CC[N@H+]([C@@H]2CCNC3(CCC3)C2)CC[C@H]1C[NH3+] ZINC001246560703 931784656 /nfs/dbraw/zinc/78/46/56/931784656.db2.gz SBMFVVABMUBZQO-QLFBSQMISA-N 2 3 265.445 1.968 20 0 CDADHP CCC[NH+]1CCC(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925494530 932892586 /nfs/dbraw/zinc/89/25/86/932892586.db2.gz KJSLQPQEHIXYFR-SMLCLMEVSA-N 2 3 277.456 1.694 20 0 CDADHP C[C@@H](N[C@@H]1CC[NH2+]C12CCCC2)C1CC[NH2+]CC1 ZINC000925729023 932933521 /nfs/dbraw/zinc/93/35/21/932933521.db2.gz NWBHJZILKDVQPH-TZMCWYRMSA-N 2 3 251.418 1.639 20 0 CDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N(C)[C@H]1CCCC[C@H]1[NH3+] ZINC001161060471 938867280 /nfs/dbraw/zinc/86/72/80/938867280.db2.gz BPGBLGIVUFZFFA-ILXRZTDVSA-N 2 3 298.475 1.210 20 0 CDADHP CC(C)(C)CN(C(=O)[C@@H](N)CCCC[NH3+])C1CC[NH2+]CC1 ZINC001161259149 938882563 /nfs/dbraw/zinc/88/25/63/938882563.db2.gz XRHSVDLISVNKAH-AWEZNQCLSA-N 2 3 298.475 1.069 20 0 CDADHP CC[NH+](CC)CCN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001207391644 940187273 /nfs/dbraw/zinc/18/72/73/940187273.db2.gz KIQPVAXJSPUCPL-UHFFFAOYSA-N 2 3 296.503 1.288 20 0 CDADHP CC[NH+]1CCC(C[NH+]2CCC3(CN(C)C3)CC2)CC1 ZINC001208600912 940346541 /nfs/dbraw/zinc/34/65/41/940346541.db2.gz FKMUAYSEWYWHAX-UHFFFAOYSA-N 2 3 265.445 1.746 20 0 CDADHP F[C@]1(CN[C@@H]2CCC3(C2)CC[NH2+]CC3)CCCC[NH2+]C1 ZINC001246113405 947965453 /nfs/dbraw/zinc/96/54/53/947965453.db2.gz OALRRQHFRBYPMP-GDBMZVCRSA-N 2 3 283.435 1.980 20 0 CDADHP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCC3)CC2)CCN1 ZINC001246363553 948134747 /nfs/dbraw/zinc/13/47/47/948134747.db2.gz FLQQBHUZNYSAEX-UKRRQHHQSA-N 2 3 265.445 1.981 20 0 CDADHP C1[C@H]2CNCC[C@@H]2C[N@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246848873 948475717 /nfs/dbraw/zinc/47/57/17/948475717.db2.gz XBOCCQYXXYFOAI-NUWOQIAWSA-N 2 3 277.456 1.840 20 0 CDADHP C1[C@H]2CNCC[C@@H]2C[N@@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246848873 948475722 /nfs/dbraw/zinc/47/57/22/948475722.db2.gz XBOCCQYXXYFOAI-NUWOQIAWSA-N 2 3 277.456 1.840 20 0 CDADHP NC[C@@]12CCC[C@H]1C[N@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001550436689 965940381 /nfs/dbraw/zinc/94/03/81/965940381.db2.gz JDTGRPMATKLKMN-LMBMLGAESA-N 2 3 277.456 1.968 20 0 CDADHP NC[C@@]12CCC[C@H]1C[N@@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001550436689 965940388 /nfs/dbraw/zinc/94/03/88/965940388.db2.gz JDTGRPMATKLKMN-LMBMLGAESA-N 2 3 277.456 1.968 20 0 CDADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650761588 398183757 /nfs/dbraw/zinc/18/37/57/398183757.db2.gz DLBSTOAULKKZLK-GFCCVEGCSA-N 2 3 276.428 1.889 20 0 CDADHP COCC[N@H+](C)CCCNCc1ccc2c(c1)C[NH2+]CC2 ZINC001579025264 1172083153 /nfs/dbraw/zinc/08/31/53/1172083153.db2.gz AYHXQQFBCXMLBO-UHFFFAOYSA-N 2 3 291.439 1.390 20 0 CDADHP COCC[N@@H+](C)CCCNCc1ccc2c(c1)C[NH2+]CC2 ZINC001579025264 1172083159 /nfs/dbraw/zinc/08/31/59/1172083159.db2.gz AYHXQQFBCXMLBO-UHFFFAOYSA-N 2 3 291.439 1.390 20 0 CDADHP c1c(CNCC[C@@H]2CCC[NH2+]C2)onc1C1CC[NH2+]CC1 ZINC000569478222 358505642 /nfs/dbraw/zinc/50/56/42/358505642.db2.gz NYFPJLFQGPZYTC-ZDUSSCGKSA-N 2 3 292.427 1.621 20 0 CDADHP C[C@H](NCCC1CC[NH+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000386486017 356650173 /nfs/dbraw/zinc/65/01/73/356650173.db2.gz SXPIPBRAAYWQLX-DZGCQCFKSA-N 2 3 253.434 1.839 20 0 CDADHP CC(C)[C@H](CN)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000634995271 360622730 /nfs/dbraw/zinc/62/27/30/360622730.db2.gz ZKBSFWGAULDRLG-BZUAXINKSA-N 2 3 267.461 1.929 20 0 CDADHP CC(C)[C@H](CN)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000634995271 360622732 /nfs/dbraw/zinc/62/27/32/360622732.db2.gz ZKBSFWGAULDRLG-BZUAXINKSA-N 2 3 267.461 1.929 20 0 CDADHP C[C@]1(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)CC[NH2+]C1 ZINC000567870856 371177814 /nfs/dbraw/zinc/17/78/14/371177814.db2.gz RZCAMFMLUOPLEI-OAGGEKHMSA-N 2 3 281.444 1.204 20 0 CDADHP C[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)[C@H]1CCCC[NH2+]1 ZINC000422982879 287022734 /nfs/dbraw/zinc/02/27/34/287022734.db2.gz XXOYUJCQBMHYOK-OWCLPIDISA-N 2 3 283.460 1.344 20 0 CDADHP C[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)[C@H]1CCCC[NH2+]1 ZINC000422982879 287022736 /nfs/dbraw/zinc/02/27/36/287022736.db2.gz XXOYUJCQBMHYOK-OWCLPIDISA-N 2 3 283.460 1.344 20 0 CDADHP CC[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000423541615 288072279 /nfs/dbraw/zinc/07/22/79/288072279.db2.gz FQFBJPRRVHXBRP-ZSAUSMIDSA-N 2 3 251.418 1.495 20 0 CDADHP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCN1 ZINC000423541615 288072285 /nfs/dbraw/zinc/07/22/85/288072285.db2.gz FQFBJPRRVHXBRP-ZSAUSMIDSA-N 2 3 251.418 1.495 20 0 CDADHP [NH3+][C@@H]1CCC[C@@H](CNCc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000577173233 317278189 /nfs/dbraw/zinc/27/81/89/317278189.db2.gz DFUMXQWSXDXNCP-TZMCWYRMSA-N 2 3 292.427 1.749 20 0 CDADHP C[C@H]1C[N@H+](CC2CC3(C2)CC[NH2+]CC3)C[C@H]1CN ZINC001205131117 1161146870 /nfs/dbraw/zinc/14/68/70/1161146870.db2.gz QVCMCGDIOOPOAJ-GXTWGEPZSA-N 2 3 251.418 1.293 20 0 CDADHP C[C@H]1C[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C[C@H]1CN ZINC001205131117 1161146872 /nfs/dbraw/zinc/14/68/72/1161146872.db2.gz QVCMCGDIOOPOAJ-GXTWGEPZSA-N 2 3 251.418 1.293 20 0 CDADHP C[N@@H+](CC1CC1)C[C@@H]1CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000420306837 536180944 /nfs/dbraw/zinc/18/09/44/536180944.db2.gz AWUBSMCPCIHJIT-ZBFHGGJFSA-N 2 3 265.445 1.650 20 0 CDADHP CN(CC1CC1)C[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420306837 536180948 /nfs/dbraw/zinc/18/09/48/536180948.db2.gz AWUBSMCPCIHJIT-ZBFHGGJFSA-N 2 3 265.445 1.650 20 0 CDADHP CN(CC1CC1)C[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420306837 536180952 /nfs/dbraw/zinc/18/09/52/536180952.db2.gz AWUBSMCPCIHJIT-ZBFHGGJFSA-N 2 3 265.445 1.650 20 0 CDADHP CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422710426 535718109 /nfs/dbraw/zinc/71/81/09/535718109.db2.gz FPXKKEJMTXZBAS-IXDOHACOSA-N 2 3 296.503 1.238 20 0 CDADHP C[N@H+](CC1CC1)C[C@@H]1CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000420306837 536180940 /nfs/dbraw/zinc/18/09/40/536180940.db2.gz AWUBSMCPCIHJIT-ZBFHGGJFSA-N 2 3 265.445 1.650 20 0 CDADHP CCN(C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H]1CCC[NH2+]CC1 ZINC000903745326 626070248 /nfs/dbraw/zinc/07/02/48/626070248.db2.gz COYHWUBUZORDFN-HRCADAONSA-N 2 3 281.444 1.219 20 0 CDADHP C[C@@H]1C[C@H](C)[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1CN ZINC000903930518 626151113 /nfs/dbraw/zinc/15/11/13/626151113.db2.gz ZGWNZSAREIEBII-BYNUDVCMSA-N 2 3 265.445 1.822 20 0 CDADHP C[C@@H]1C[C@H](C)[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1CN ZINC000903930518 626151114 /nfs/dbraw/zinc/15/11/14/626151114.db2.gz ZGWNZSAREIEBII-BYNUDVCMSA-N 2 3 265.445 1.822 20 0 CDADHP [NH3+][C@@H]1CC[C@@H]2CN(Cc3cc4c(s3)CC[NH2+]C4)C[C@@H]12 ZINC000873201018 805331294 /nfs/dbraw/zinc/33/12/94/805331294.db2.gz JCLQOFSNIJBZMQ-LERXQTSPSA-N 2 3 277.437 1.563 20 0 CDADHP CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000848996500 812860261 /nfs/dbraw/zinc/86/02/61/812860261.db2.gz ZNCYDVRPDBJHQN-GJZGRUSLSA-N 2 3 295.475 1.315 20 0 CDADHP CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000848996500 812860264 /nfs/dbraw/zinc/86/02/64/812860264.db2.gz ZNCYDVRPDBJHQN-GJZGRUSLSA-N 2 3 295.475 1.315 20 0 CDADHP C[NH+]1CCC(C)(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000381072142 814710887 /nfs/dbraw/zinc/71/08/87/814710887.db2.gz RCSQNTXFDXRTPE-BTFPBAQTSA-N 2 3 263.429 1.304 20 0 CDADHP C[C@H](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N(C)C ZINC000697838938 909322448 /nfs/dbraw/zinc/32/24/48/909322448.db2.gz QUXAFGMIBMMXNE-CQSZACIVSA-N 2 3 276.428 1.980 20 0 CDADHP C[NH2+]CC[C@H](C)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246677591 932200550 /nfs/dbraw/zinc/20/05/50/932200550.db2.gz JUNYKWHUBHLWNX-ZNMIVQPWSA-N 2 3 253.434 1.696 20 0 CDADHP C[NH+](C)C[C@@]12C[C@@H]1CN(CC1(C)CC[NH+](C)CC1)C2 ZINC001208111244 940290978 /nfs/dbraw/zinc/29/09/78/940290978.db2.gz IJNBZPBGAWGOCY-GDBMZVCRSA-N 2 3 265.445 1.602 20 0 CDADHP CN(CCC[NH3+])Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235435357 944154537 /nfs/dbraw/zinc/15/45/37/944154537.db2.gz LDPHPGVNOVAQTM-UHFFFAOYSA-N 2 3 272.396 1.525 20 0 CDADHP C[C@H]1CC[NH2+]C[C@@H]1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001246116508 947967909 /nfs/dbraw/zinc/96/79/09/947967909.db2.gz WIRSXLFNGKATAL-NJINODPHSA-N 2 3 295.471 1.465 20 0 CDADHP C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246146026 947988924 /nfs/dbraw/zinc/98/89/24/947988924.db2.gz NGOLBEGQPHKTNK-QXSJWSMHSA-N 2 3 292.471 1.123 20 0 CDADHP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCN1 ZINC001246225976 948040399 /nfs/dbraw/zinc/04/03/99/948040399.db2.gz SHGCULWYGNEBPY-KBUPBQIOSA-N 2 3 251.418 1.639 20 0 CDADHP CC[C@@H]1CC(N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)C[C@@H](CC)[NH2+]1 ZINC001246254982 948060410 /nfs/dbraw/zinc/06/04/10/948060410.db2.gz IEGQNJXZNXXTCJ-TXCZRRACSA-N 2 3 295.471 1.796 20 0 CDADHP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@@H](CCC[NH3+])C2)CCN1 ZINC001246494259 948206525 /nfs/dbraw/zinc/20/65/25/948206525.db2.gz CPCORAXYXDPURJ-QLFBSQMISA-N 2 3 253.434 1.968 20 0 CDADHP C[C@@H]1C[C@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CCN1 ZINC001246494259 948206533 /nfs/dbraw/zinc/20/65/33/948206533.db2.gz CPCORAXYXDPURJ-QLFBSQMISA-N 2 3 253.434 1.968 20 0 CDADHP C[N@H+](C[C@@H]1CCCNC1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246839445 948469116 /nfs/dbraw/zinc/46/91/16/948469116.db2.gz BIRAACGKDQIXJY-HUUCEWRRSA-N 2 3 265.445 1.840 20 0 CDADHP C[N@@H+](C[C@@H]1CCCNC1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246839445 948469121 /nfs/dbraw/zinc/46/91/21/948469121.db2.gz BIRAACGKDQIXJY-HUUCEWRRSA-N 2 3 265.445 1.840 20 0 CDADHP CC1([NH+]2CCOCC2)CCC([NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC001551379881 966592034 /nfs/dbraw/zinc/59/20/34/966592034.db2.gz LUKPJBARDKDPIG-SOEBMCCKSA-N 2 3 295.471 1.737 20 0 CDADHP C[C@H]1CC2(C[N@@H+]1C[C@@H]1CCCNC1)CC[NH2+]CC2 ZINC000335275873 359294734 /nfs/dbraw/zinc/29/47/34/359294734.db2.gz AVBNOAQNFBWTCV-UONOGXRCSA-N 2 3 251.418 1.450 20 0 CDADHP C[C@H]1CC2(C[N@H+]1C[C@@H]1CCCNC1)CC[NH2+]CC2 ZINC000335275873 359294738 /nfs/dbraw/zinc/29/47/38/359294738.db2.gz AVBNOAQNFBWTCV-UONOGXRCSA-N 2 3 251.418 1.450 20 0 CDADHP [NH3+][C@@H]1C[C@H](NCC2CC[NH+](CCO)CC2)c2ccccc21 ZINC000422981378 359696400 /nfs/dbraw/zinc/69/64/00/359696400.db2.gz SLNBDWOKLIBWDS-SJORKVTESA-N 2 3 289.423 1.425 20 0 CDADHP C[C@@H](CCCC[NH3+])Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635010908 360653944 /nfs/dbraw/zinc/65/39/44/360653944.db2.gz LIEPATQMHIZHBR-ZDUSSCGKSA-N 2 3 277.416 1.421 20 0 CDADHP CC(C)[C@H](CN)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000634996199 360624247 /nfs/dbraw/zinc/62/42/47/360624247.db2.gz CLCNMWYEKQGNOK-UONOGXRCSA-N 2 3 253.434 1.681 20 0 CDADHP CC(C)[C@H](CN)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000634996199 360624249 /nfs/dbraw/zinc/62/42/49/360624249.db2.gz CLCNMWYEKQGNOK-UONOGXRCSA-N 2 3 253.434 1.681 20 0 CDADHP C[C@H]([NH2+]C[C@@]1(C)CCCNC1)C1CC[NH+](C)CC1 ZINC000643518482 360948621 /nfs/dbraw/zinc/94/86/21/360948621.db2.gz NUDUQECJFSDUEI-ZFWWWQNUSA-N 2 3 253.434 1.696 20 0 CDADHP COC[C@]1(CN[C@@H](C)C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000643531865 361184036 /nfs/dbraw/zinc/18/40/36/361184036.db2.gz QRWZCUDKXCXKIV-DZGCQCFKSA-N 2 3 269.433 1.075 20 0 CDADHP C[C@@H]1C[C@@H](C[N@@H+]2C[C@H](CN)C3(C2)CCOCC3)CC[NH2+]1 ZINC000520582117 361545014 /nfs/dbraw/zinc/54/50/14/361545014.db2.gz OYDGYXHYCVPQKU-ILXRZTDVSA-N 2 3 281.444 1.062 20 0 CDADHP C[C@@H]1C[C@@H](C[N@H+]2C[C@H](CN)C3(C2)CCOCC3)CC[NH2+]1 ZINC000520582117 361545017 /nfs/dbraw/zinc/54/50/17/361545017.db2.gz OYDGYXHYCVPQKU-ILXRZTDVSA-N 2 3 281.444 1.062 20 0 CDADHP C[C@]1(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC[NH2+]C1 ZINC000414771926 241378316 /nfs/dbraw/zinc/37/83/16/241378316.db2.gz ASHDAQRDEWNOFW-ZNMIVQPWSA-N 2 3 251.418 1.308 20 0 CDADHP C(C[N@@H+]1CC[C@@H](CN2CCCC2)C1)C1CC[NH2+]CC1 ZINC000359210610 158164720 /nfs/dbraw/zinc/16/47/20/158164720.db2.gz LNIZHCDVSFLXJS-INIZCTEOSA-N 2 3 265.445 1.794 20 0 CDADHP C(C[N@H+]1CC[C@@H](CN2CCCC2)C1)C1CC[NH2+]CC1 ZINC000359210610 158164724 /nfs/dbraw/zinc/16/47/24/158164724.db2.gz LNIZHCDVSFLXJS-INIZCTEOSA-N 2 3 265.445 1.794 20 0 CDADHP C(CN1CC[C@@H](C[NH+]2CCCC2)C1)C1CC[NH2+]CC1 ZINC000359210610 158164725 /nfs/dbraw/zinc/16/47/25/158164725.db2.gz LNIZHCDVSFLXJS-INIZCTEOSA-N 2 3 265.445 1.794 20 0 CDADHP C([C@H]1CCCNC1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783584 413652739 /nfs/dbraw/zinc/65/27/39/413652739.db2.gz QTPQPVMLETZPNT-GOEBONIOSA-N 2 3 265.445 1.698 20 0 CDADHP C([C@H]1CCCNC1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783584 413652745 /nfs/dbraw/zinc/65/27/45/413652745.db2.gz QTPQPVMLETZPNT-GOEBONIOSA-N 2 3 265.445 1.698 20 0 CDADHP C(N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663493788 414288194 /nfs/dbraw/zinc/28/81/94/414288194.db2.gz KCDRYMCANKKUAT-FPCVCCKLSA-N 2 3 263.429 1.308 20 0 CDADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000423463400 295215582 /nfs/dbraw/zinc/21/55/82/295215582.db2.gz PWZQHFAPZWWHRR-NNVSOGSUSA-N 2 3 263.429 1.719 20 0 CDADHP C[C@H](CC[NH3+])NCc1ccc(OCC[NH+](C)C)cc1 ZINC000666831974 482942837 /nfs/dbraw/zinc/94/28/37/482942837.db2.gz YDSXZYVGFDVBHZ-CYBMUJFWSA-N 2 3 265.401 1.454 20 0 CDADHP C[NH+]1CCC(O)(C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925622869 617569862 /nfs/dbraw/zinc/56/98/62/617569862.db2.gz NLJJZHHXNHRNDB-CVEARBPZSA-N 2 3 295.471 1.201 20 0 CDADHP C[C@@H]1C[C@@H]([NH3+])CCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923393026 618326286 /nfs/dbraw/zinc/32/62/86/618326286.db2.gz MODAPDOKLAFVLX-DYALRZPUSA-N 2 3 251.418 1.719 20 0 CDADHP [NH3+][C@@H]1CCC[C@@H]2CN(C[C@H]3CCCC[NH2+]C3)C[C@H]21 ZINC000903744308 626081034 /nfs/dbraw/zinc/08/10/34/626081034.db2.gz QWCDJJYRCBUHTN-GBJTYRQASA-N 2 3 251.418 1.435 20 0 CDADHP NCC1([C@H]2CCCC[N@@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)CCC1 ZINC000903810737 626100270 /nfs/dbraw/zinc/10/02/70/626100270.db2.gz GFNZWIVGNSOSAU-LSDHHAIUSA-N 2 3 293.455 1.348 20 0 CDADHP NCC1([C@H]2CCCC[N@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)CCC1 ZINC000903810737 626100272 /nfs/dbraw/zinc/10/02/72/626100272.db2.gz GFNZWIVGNSOSAU-LSDHHAIUSA-N 2 3 293.455 1.348 20 0 CDADHP C[C@]1(CN)CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923357157 821034475 /nfs/dbraw/zinc/03/44/75/821034475.db2.gz WZHGZVLQNGXAKS-JALIKCBVSA-N 2 3 251.418 1.578 20 0 CDADHP C[C@]1(CN)CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923357157 821034488 /nfs/dbraw/zinc/03/44/88/821034488.db2.gz WZHGZVLQNGXAKS-JALIKCBVSA-N 2 3 251.418 1.578 20 0 CDADHP C(C1CC[NH2+]CC1)[N@@H+]1CCCC[C@]12CCCNC2 ZINC001235176102 914080714 /nfs/dbraw/zinc/08/07/14/914080714.db2.gz ZAOXODOVXLKYFR-OAHLLOKOSA-N 2 3 251.418 1.594 20 0 CDADHP C(C1CC[NH2+]CC1)[N@H+]1CCCC[C@]12CCCNC2 ZINC001235176102 914080733 /nfs/dbraw/zinc/08/07/33/914080733.db2.gz ZAOXODOVXLKYFR-OAHLLOKOSA-N 2 3 251.418 1.594 20 0 CDADHP C(C1CC[NH2+]CC1)N1CCCC[C@]12CCC[NH2+]C2 ZINC001235176102 914080753 /nfs/dbraw/zinc/08/07/53/914080753.db2.gz ZAOXODOVXLKYFR-OAHLLOKOSA-N 2 3 251.418 1.594 20 0 CDADHP C[C@@H]1CC[N@@H+]([C@H]2CCNC3(CCC3)C2)CC[C@H]1C[NH3+] ZINC001246560699 931784591 /nfs/dbraw/zinc/78/45/91/931784591.db2.gz SBMFVVABMUBZQO-ILXRZTDVSA-N 2 3 265.445 1.968 20 0 CDADHP C[C@@H]1CC[N@H+]([C@H]2CCNC3(CCC3)C2)CC[C@H]1C[NH3+] ZINC001246560699 931784594 /nfs/dbraw/zinc/78/45/94/931784594.db2.gz SBMFVVABMUBZQO-ILXRZTDVSA-N 2 3 265.445 1.968 20 0 CDADHP C[C@@H]1C[C@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CCN1 ZINC001246836407 932232971 /nfs/dbraw/zinc/23/29/71/932232971.db2.gz WKJSISKEBMMLEG-BPLDGKMQSA-N 2 3 251.418 1.591 20 0 CDADHP C[C@@H]1C[C@H](N2CCC([C@H]3CCC[NH2+]3)CC2)CC[NH2+]1 ZINC001246836407 932232978 /nfs/dbraw/zinc/23/29/78/932232978.db2.gz WKJSISKEBMMLEG-BPLDGKMQSA-N 2 3 251.418 1.591 20 0 CDADHP [NH3+]C[C@@]1(F)CCCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001205545529 939899827 /nfs/dbraw/zinc/89/98/27/939899827.db2.gz IYWLSTIDKPIBTQ-UONOGXRCSA-N 2 3 257.397 1.672 20 0 CDADHP [NH3+]CCCC[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235360585 944136147 /nfs/dbraw/zinc/13/61/47/944136147.db2.gz CFWMVORAOFEAML-ZWKOTPCHSA-N 2 3 287.451 1.979 20 0 CDADHP [NH3+]CCCC[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235360585 944136148 /nfs/dbraw/zinc/13/61/48/944136148.db2.gz CFWMVORAOFEAML-ZWKOTPCHSA-N 2 3 287.451 1.979 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[NH2+]CC2)C[C@H](C)N1 ZINC001246093058 947942252 /nfs/dbraw/zinc/94/22/52/947942252.db2.gz GTPJLULWBWQMNQ-LXTVHRRPSA-N 2 3 253.434 1.885 20 0 CDADHP C[C@H]1CC[C@H](CNC2CCC3(CC2)C[NH2+]CCO3)[NH2+]C1 ZINC001246105962 947957673 /nfs/dbraw/zinc/95/76/73/947957673.db2.gz CHVBJIYKPMQQBG-JWMHWRSXSA-N 2 3 281.444 1.265 20 0 CDADHP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC001246109766 947961192 /nfs/dbraw/zinc/96/11/92/947961192.db2.gz KVNQWMIYWGYDSM-MGLUKCQKSA-N 2 3 265.445 1.979 20 0 CDADHP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H]3C[NH2+]C[C@H]23)CCN1 ZINC001246134361 947979353 /nfs/dbraw/zinc/97/93/53/947979353.db2.gz UBZVDTAALWJWAO-SUJAAXHWSA-N 2 3 279.472 1.988 20 0 CDADHP CC(C)(CN)C[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246249600 948054661 /nfs/dbraw/zinc/05/46/61/948054661.db2.gz LFKWFLMZBCTIMI-UHFFFAOYSA-N 2 3 253.434 1.873 20 0 CDADHP CN1CCC[C@@H]([NH2+][C@@]23CC[C@@]([NH3+])(C2)CCC3)CC1 ZINC001246335693 948114515 /nfs/dbraw/zinc/11/45/15/948114515.db2.gz ZHYUYTUZXFVMSL-KFWWJZLASA-N 2 3 251.418 1.864 20 0 CDADHP Cc1cc(F)ccc1[C@H]1C[C@@H](NCCNCC[NH3+])CC[NH2+]1 ZINC001246403356 948157376 /nfs/dbraw/zinc/15/73/76/948157376.db2.gz FEBJGFZRBRCNLX-GOEBONIOSA-N 2 3 294.418 1.065 20 0 CDADHP CC[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](C[NH3+])C2)CCN1 ZINC001246457549 948182681 /nfs/dbraw/zinc/18/26/81/948182681.db2.gz OLGCLWFHSPMUJX-QPSCCSFWSA-N 2 3 253.434 1.872 20 0 CDADHP C1=C[C@H](NC2CCC3(CCC[NH2+]C3)CC2)[C@H]2C[NH2+]C[C@H]12 ZINC001246473039 948192766 /nfs/dbraw/zinc/19/27/66/948192766.db2.gz IRCXTFONYGHKSV-LQWAEYHHSA-N 2 3 275.440 1.662 20 0 CDADHP C1=C[C@H](NC2CCC3(CC[NH2+]CC3)CC2)[C@@H]2C[NH2+]C[C@@H]12 ZINC001246471861 948192713 /nfs/dbraw/zinc/19/27/13/948192713.db2.gz CSFDDGPCPPNGCO-BMFZPTHFSA-N 2 3 275.440 1.662 20 0 CDADHP F[C@H]1C[NH2+]CC[C@H]1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001246478664 948196928 /nfs/dbraw/zinc/19/69/28/948196928.db2.gz XBEQMDSPJKOPJG-LBDPXKHJSA-N 2 3 299.434 1.167 20 0 CDADHP CC(C)(C)[C@@H]1C[C@H](N2CCC(C[NH3+])CC2)CC[NH2+]1 ZINC001246540794 948241440 /nfs/dbraw/zinc/24/14/40/948241440.db2.gz WZDQTLRRWZVASQ-KGLIPLIRSA-N 2 3 253.434 1.824 20 0 CDADHP C1C[C@]2(C[NH2+]1)CCC[C@H]([N@@H+]1CCO[C@@]3(CCCNC3)C1)C2 ZINC001246618374 948349998 /nfs/dbraw/zinc/34/99/98/948349998.db2.gz KKBFXZCHTLCIQO-GVDBMIGSSA-N 2 3 293.455 1.363 20 0 CDADHP C1C[C@]2(C[NH2+]1)CCC[C@H]([N@H+]1CCO[C@@]3(CCCNC3)C1)C2 ZINC001246618374 948350006 /nfs/dbraw/zinc/35/00/06/948350006.db2.gz KKBFXZCHTLCIQO-GVDBMIGSSA-N 2 3 293.455 1.363 20 0 CDADHP C1C[C@H]2C[C@@H](N3CCC(C4CC[NH2+]CC4)CC3)C[C@@H]1[NH2+]2 ZINC001246798732 948445829 /nfs/dbraw/zinc/44/58/29/948445829.db2.gz XXLZRBNLQPGAHU-FVQHAEBGSA-N 2 3 277.456 1.981 20 0 CDADHP C[N@H+](C[C@@H]1CCCNC1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246840602 948470305 /nfs/dbraw/zinc/47/03/05/948470305.db2.gz IXBDWIKLBHOART-OAGGEKHMSA-N 2 3 265.445 1.840 20 0 CDADHP C[N@@H+](C[C@@H]1CCCNC1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246840602 948470309 /nfs/dbraw/zinc/47/03/09/948470309.db2.gz IXBDWIKLBHOART-OAGGEKHMSA-N 2 3 265.445 1.840 20 0 CDADHP CC[NH+]1CCC(C[NH+]2CCC(N(C)CCCO)CC2)CC1 ZINC001423037526 956530230 /nfs/dbraw/zinc/53/02/30/956530230.db2.gz BQFHURUTXCXIOT-UHFFFAOYSA-N 2 3 297.487 1.497 20 0 CDADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001553024856 964488679 /nfs/dbraw/zinc/48/86/79/964488679.db2.gz SFCJFDQCAYCHLN-TWHJKIGZSA-N 2 3 277.456 1.741 20 0 CDADHP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000422746544 282098287 /nfs/dbraw/zinc/09/82/87/282098287.db2.gz WUZOTQBEPWUGKM-IAGOWNOFSA-N 2 3 296.503 1.367 20 0 CDADHP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H]1CCCNC1 ZINC000643503399 539080637 /nfs/dbraw/zinc/08/06/37/539080637.db2.gz NOCHWTXJUUXHDD-GUTXKFCHSA-N 2 3 253.434 1.694 20 0 CDADHP [NH3+]C[C@H]1CN(CCC2CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC000629560979 363007631 /nfs/dbraw/zinc/00/76/31/363007631.db2.gz GHWQZSKIZBMIQY-QWHCGFSZSA-N 2 3 293.377 1.835 20 0 CDADHP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCC1=CC[NH2+]CC1 ZINC000423340630 359769209 /nfs/dbraw/zinc/76/92/09/359769209.db2.gz BYXNQJDBFCAKOM-SJLPKXTDSA-N 2 3 299.418 1.752 20 0 CDADHP c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2c(c1)CNCC2 ZINC000635003455 360646025 /nfs/dbraw/zinc/64/60/25/360646025.db2.gz JSAJRVNCUDOWAV-IAOVAPTHSA-N 2 3 285.435 1.810 20 0 CDADHP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H]1CCCNC1 ZINC000567638202 371076703 /nfs/dbraw/zinc/07/67/03/371076703.db2.gz ZMULXONRHOIOTC-LMRVLLHPSA-N 2 3 253.434 1.837 20 0 CDADHP C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1cccc(C[NH+](C)C)c1 ZINC000422804655 245278756 /nfs/dbraw/zinc/27/87/56/245278756.db2.gz HZUUXXBNZJPRHU-XKQJLSEDSA-N 2 3 291.439 1.590 20 0 CDADHP C(CN1CCCC[C@H]1[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000420384499 376344337 /nfs/dbraw/zinc/34/43/37/376344337.db2.gz DYOVLDGCKRQFSB-HOTGVXAUSA-N 2 3 265.445 1.840 20 0 CDADHP C([C@H]1CC[NH2+]C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975068 391366597 /nfs/dbraw/zinc/36/65/97/391366597.db2.gz JMZSKJDKHBFZCE-RRFJBIMHSA-N 2 3 251.418 1.308 20 0 CDADHP CCCN1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647793306 391631010 /nfs/dbraw/zinc/63/10/10/391631010.db2.gz SVTPQASWRKFHGO-QKPAOTATSA-N 2 3 265.445 1.696 20 0 CDADHP COCC[N@H+](C)CCCC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647989621 391655311 /nfs/dbraw/zinc/65/53/11/391655311.db2.gz OGYDIXRZRZELQW-QGZVFWFLSA-N 2 3 297.487 1.666 20 0 CDADHP COCC[N@@H+](C)CCCC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647989621 391655314 /nfs/dbraw/zinc/65/53/14/391655314.db2.gz OGYDIXRZRZELQW-QGZVFWFLSA-N 2 3 297.487 1.666 20 0 CDADHP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCC[C@@H](N)C2)CC[NH2+]CC1 ZINC000423362856 285665984 /nfs/dbraw/zinc/66/59/84/285665984.db2.gz ILCUOHVADVBXPA-BFHYXJOUSA-N 2 3 297.443 1.167 20 0 CDADHP C([C@H]1CCC2(CNC2)O1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662291895 414618107 /nfs/dbraw/zinc/61/81/07/414618107.db2.gz AKSQCQUYORVRLH-JKSUJKDBSA-N 2 3 293.455 1.219 20 0 CDADHP C([C@H]1CCC2(CNC2)O1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662291895 414618110 /nfs/dbraw/zinc/61/81/10/414618110.db2.gz AKSQCQUYORVRLH-JKSUJKDBSA-N 2 3 293.455 1.219 20 0 CDADHP C([C@@H]1CC[NH2+]C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293413 414619678 /nfs/dbraw/zinc/61/96/78/414619678.db2.gz KSBZGWCWYBJYIW-UKRRQHHQSA-N 2 3 251.418 1.308 20 0 CDADHP C[NH+](C)CCOCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000234263584 521794845 /nfs/dbraw/zinc/79/48/45/521794845.db2.gz MKPIOLODATYECJ-KFWWJZLASA-N 2 3 269.433 1.075 20 0 CDADHP CC1(C)C[NH2+]CC[C@H]1NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903753529 626074760 /nfs/dbraw/zinc/07/47/60/626074760.db2.gz VPAKLPLMLGRAKL-ZIAGYGMSSA-N 2 3 281.444 1.123 20 0 CDADHP CC1(C)CNCC[C@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903753529 626074763 /nfs/dbraw/zinc/07/47/63/626074763.db2.gz VPAKLPLMLGRAKL-ZIAGYGMSSA-N 2 3 281.444 1.123 20 0 CDADHP C[C@@]1(CN2CCC(OCCC[NH3+])CC2)CCC[NH2+]C1 ZINC000904301022 626242592 /nfs/dbraw/zinc/24/25/92/626242592.db2.gz DXUXEDBTFKILJT-OAHLLOKOSA-N 2 3 269.433 1.206 20 0 CDADHP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cc3c(s2)CCNC3)C1 ZINC000873211497 824996228 /nfs/dbraw/zinc/99/62/28/824996228.db2.gz AGSXGXRMONCOOX-JQWIXIFHSA-N 2 3 265.426 1.611 20 0 CDADHP [NH3+]CCC[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccccc1 ZINC000925613924 825812822 /nfs/dbraw/zinc/81/28/22/825812822.db2.gz VALRVMWRAWKRKQ-IRXDYDNUSA-N 2 3 291.439 1.513 20 0 CDADHP C[NH+](C)C1CCC(N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000715531726 826028525 /nfs/dbraw/zinc/02/85/25/826028525.db2.gz JBQVLXAEVINBIA-LOMDQILQSA-N 2 3 263.429 1.445 20 0 CDADHP CN(C)C1(CNc2ccc3c(c2)C[NH2+]C3)CC[NH+](C)CC1 ZINC001164213569 939431156 /nfs/dbraw/zinc/43/11/56/939431156.db2.gz WREUBMSOQKETPZ-UHFFFAOYSA-N 2 3 288.439 1.728 20 0 CDADHP C[C@]1(C[NH3+])CCCN(Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC001206317910 940016959 /nfs/dbraw/zinc/01/69/59/940016959.db2.gz KNFWBUAFGCDWHM-HNNXBMFYSA-N 2 3 294.468 1.740 20 0 CDADHP [NH3+]C[C@@H]1CCCN(Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001235675870 944243196 /nfs/dbraw/zinc/24/31/96/944243196.db2.gz MQQLZNGTYWYJGZ-AWEZNQCLSA-N 2 3 298.434 1.915 20 0 CDADHP C(C[NH+]1CCC(CC2CC[NH2+]CC2)CC1)[C@H]1CNCCO1 ZINC001236949300 944620758 /nfs/dbraw/zinc/62/07/58/944620758.db2.gz UDVKXYKMVKUSPG-KRWDZBQOSA-N 2 3 295.471 1.467 20 0 CDADHP C[C@@H]1CC([NH2+]C[C@H]2CC[NH2+]CC[C@@H]2C)C[C@@H](C)N1 ZINC001246112708 947963197 /nfs/dbraw/zinc/96/31/97/947963197.db2.gz RHVOCYQUDCCHIA-REWJHTLYSA-N 2 3 253.434 1.741 20 0 CDADHP CCCC[C@H]1C[C@H](NC[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246145444 947987476 /nfs/dbraw/zinc/98/74/76/947987476.db2.gz WZBGAACOKQOJKN-KSWRQPAISA-N 2 3 295.471 1.511 20 0 CDADHP CC[C@@H]1C[C@@H](N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)C[C@H](CC)[NH2+]1 ZINC001246254977 948059560 /nfs/dbraw/zinc/05/95/60/948059560.db2.gz IEGQNJXZNXXTCJ-JJTUDDRGSA-N 2 3 295.471 1.796 20 0 CDADHP CCCC[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)CCN1 ZINC001246275843 948072078 /nfs/dbraw/zinc/07/20/78/948072078.db2.gz AWRCJBYRJQFUJZ-KFWWJZLASA-N 2 3 253.434 1.886 20 0 CDADHP C[C@H]1C[C@@H]([NH2+]CC2(c3cccnc3)CC[NH2+]CC2)CCN1 ZINC001246423533 948168024 /nfs/dbraw/zinc/16/80/24/948168024.db2.gz OUAAUFDIKXWIHS-HOCLYGCPSA-N 2 3 288.439 1.433 20 0 CDADHP C[C@H]1C[C@@H](NCC2(c3cccnc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246423533 948168028 /nfs/dbraw/zinc/16/80/28/948168028.db2.gz OUAAUFDIKXWIHS-HOCLYGCPSA-N 2 3 288.439 1.433 20 0 CDADHP F[C@H]1C[NH2+]CC[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246474695 948192808 /nfs/dbraw/zinc/19/28/08/948192808.db2.gz AKWOMPMNHVEVOL-HPCHECBXSA-N 2 3 255.381 1.197 20 0 CDADHP C[C@H]1CC([N@@H+]2CCCC3(CC[NH2+]CC3)C2)C[C@H](C)N1 ZINC001246524845 948225318 /nfs/dbraw/zinc/22/53/18/948225318.db2.gz SPVLLUGSRYQXMC-KBPBESRZSA-N 2 3 265.445 1.981 20 0 CDADHP C[C@H]1CC([N@H+]2CCCC3(CC[NH2+]CC3)C2)C[C@H](C)N1 ZINC001246524845 948225327 /nfs/dbraw/zinc/22/53/27/948225327.db2.gz SPVLLUGSRYQXMC-KBPBESRZSA-N 2 3 265.445 1.981 20 0 CDADHP CC1(C)C[C@@H]([N@@H+]2CCCC3(CC[NH2+]CC3)C2)CCN1 ZINC001246524948 948226734 /nfs/dbraw/zinc/22/67/34/948226734.db2.gz VFFUXALLXSSTLF-AWEZNQCLSA-N 2 3 265.445 1.983 20 0 CDADHP CC1(C)C[C@@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)CCN1 ZINC001246524948 948226736 /nfs/dbraw/zinc/22/67/36/948226736.db2.gz VFFUXALLXSSTLF-AWEZNQCLSA-N 2 3 265.445 1.983 20 0 CDADHP CC(C)(C)[C@@H]1C[C@H](N2CCC[C@@](O)(C[NH3+])CC2)CC[NH2+]1 ZINC001246543325 948246495 /nfs/dbraw/zinc/24/64/95/948246495.db2.gz MUJAUHJHRIRCJX-YCPHGPKFSA-N 2 3 283.460 1.329 20 0 CDADHP [NH3+]C[C@H]1CN([C@@H]2CCC3(C[NH2+]C3)C2)CCC1(F)F ZINC001246556139 948267291 /nfs/dbraw/zinc/26/72/91/948267291.db2.gz DDXJRKZXACDKJR-WDEREUQCSA-N 2 3 259.344 1.044 20 0 CDADHP [NH3+]C[C@@H]1CN([C@@H]2CCC3(C2)CC[NH2+]CC3)CCC1(F)F ZINC001246565916 948284150 /nfs/dbraw/zinc/28/41/50/948284150.db2.gz ZYGVMAWYNPCAAP-CHWSQXEVSA-N 2 3 287.398 1.825 20 0 CDADHP NCC[C@@H]1CCC[N@@H+]1[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246847735 948474434 /nfs/dbraw/zinc/47/44/34/948474434.db2.gz RXZIPGHSEFYQDJ-RRFJBIMHSA-N 2 3 251.418 1.722 20 0 CDADHP NCC[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246847735 948474440 /nfs/dbraw/zinc/47/44/40/948474440.db2.gz RXZIPGHSEFYQDJ-RRFJBIMHSA-N 2 3 251.418 1.722 20 0 CDADHP C1CC2(CC[NH2+]1)CCC([N@@H+]1C[C@H]3CC[C@@H](C1)NC3)CC2 ZINC001246863670 948489981 /nfs/dbraw/zinc/48/99/81/948489981.db2.gz GFVVJORPAYEETC-GJZGRUSLSA-N 2 3 277.456 1.983 20 0 CDADHP C1CC2(CC[NH2+]1)CCC([N@H+]1C[C@H]3CC[C@@H](C1)NC3)CC2 ZINC001246863670 948489982 /nfs/dbraw/zinc/48/99/82/948489982.db2.gz GFVVJORPAYEETC-GJZGRUSLSA-N 2 3 277.456 1.983 20 0 CDADHP CCCC[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CCN1 ZINC001246977111 948555732 /nfs/dbraw/zinc/55/57/32/948555732.db2.gz RRERSYHMLBBLDM-OTJKEOIZSA-N 2 3 265.445 1.966 20 0 CDADHP CCCC[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CCN1 ZINC001246977111 948555736 /nfs/dbraw/zinc/55/57/36/948555736.db2.gz RRERSYHMLBBLDM-OTJKEOIZSA-N 2 3 265.445 1.966 20 0 CDADHP C[NH+]1CCC(C[NH2+]C[C@@H]2CN3CCC2CC3)CC1 ZINC001308966615 956605174 /nfs/dbraw/zinc/60/51/74/956605174.db2.gz VXNNWYKVERWCFH-OAHLLOKOSA-N 2 3 251.418 1.260 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H]1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC001550348784 965865733 /nfs/dbraw/zinc/86/57/33/965865733.db2.gz FXZMZUDGHGGSHJ-MIGQKNRLSA-N 2 3 281.444 1.060 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C[C@@H]3CCC[NH2+]C3)C2)C1 ZINC000650707348 398152709 /nfs/dbraw/zinc/15/27/09/398152709.db2.gz DDKYGWMTQUETEG-FPCVCCKLSA-N 2 3 281.444 1.204 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C[C@@H]3CCCNC3)C2)C1 ZINC000650707348 398152710 /nfs/dbraw/zinc/15/27/10/398152710.db2.gz DDKYGWMTQUETEG-FPCVCCKLSA-N 2 3 281.444 1.204 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@@H]3CCCNC3)C2)C1 ZINC000650707348 398152711 /nfs/dbraw/zinc/15/27/11/398152711.db2.gz DDKYGWMTQUETEG-FPCVCCKLSA-N 2 3 281.444 1.204 20 0 CDADHP C[N@@H+]1CCCC[C@@H]1CN1CCN(CC2CC[NH2+]CC2)CC1 ZINC000346848349 359097248 /nfs/dbraw/zinc/09/72/48/359097248.db2.gz OBSGNGUBZOAJHI-QGZVFWFLSA-N 2 3 294.487 1.088 20 0 CDADHP C[N@H+]1CCCC[C@@H]1CN1CCN(CC2CC[NH2+]CC2)CC1 ZINC000346848349 359097252 /nfs/dbraw/zinc/09/72/52/359097252.db2.gz OBSGNGUBZOAJHI-QGZVFWFLSA-N 2 3 294.487 1.088 20 0 CDADHP CCO[C@H](CC[NH+](C)C)CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422864673 359664744 /nfs/dbraw/zinc/66/47/44/359664744.db2.gz NNOYINIJZHWLMK-KFWWJZLASA-N 2 3 271.449 1.321 20 0 CDADHP C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423553426 359856052 /nfs/dbraw/zinc/85/60/52/359856052.db2.gz QMKULIYGDXXANK-QMIVOQANSA-N 2 3 251.418 1.352 20 0 CDADHP CC(C)[C@H](CN)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000634994441 360621527 /nfs/dbraw/zinc/62/15/27/360621527.db2.gz DCEULLFTZUQPDS-RRFJBIMHSA-N 2 3 253.434 1.539 20 0 CDADHP CC(C)[C@H](CN)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000634994441 360621528 /nfs/dbraw/zinc/62/15/28/360621528.db2.gz DCEULLFTZUQPDS-RRFJBIMHSA-N 2 3 253.434 1.539 20 0 CDADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1cccc2c1CC[NH2+]C2 ZINC000635011591 360655561 /nfs/dbraw/zinc/65/55/61/360655561.db2.gz RAAOADIQRRSWBG-ZLIFDBKOSA-N 2 3 289.423 1.174 20 0 CDADHP C[N@H+](CC1CC1)C[C@H]1CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000420306835 244057459 /nfs/dbraw/zinc/05/74/59/244057459.db2.gz AWUBSMCPCIHJIT-GOEBONIOSA-N 2 3 265.445 1.650 20 0 CDADHP C[N@@H+](CC1CC1)C[C@H]1CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000420306835 244057466 /nfs/dbraw/zinc/05/74/66/244057466.db2.gz AWUBSMCPCIHJIT-GOEBONIOSA-N 2 3 265.445 1.650 20 0 CDADHP CN(CC1CC1)C[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420306835 244057471 /nfs/dbraw/zinc/05/74/71/244057471.db2.gz AWUBSMCPCIHJIT-GOEBONIOSA-N 2 3 265.445 1.650 20 0 CDADHP CN(CC1CC1)C[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420306835 244057476 /nfs/dbraw/zinc/05/74/76/244057476.db2.gz AWUBSMCPCIHJIT-GOEBONIOSA-N 2 3 265.445 1.650 20 0 CDADHP COc1ccc([C@H](C[NH3+])CN2CCC[C@H](CC[NH3+])C2)cc1 ZINC000420315568 244072527 /nfs/dbraw/zinc/07/25/27/244072527.db2.gz RZWOWLKUGCINIV-GDBMZVCRSA-N 2 3 291.439 1.798 20 0 CDADHP CC[NH+]1CCC(C[NH2+][C@@H]2CCNCC[C@H]2C)CC1 ZINC000567641265 371078147 /nfs/dbraw/zinc/07/81/47/371078147.db2.gz OWORJVNZHRRRAH-UKRRQHHQSA-N 2 3 253.434 1.696 20 0 CDADHP c1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCNC3)CC2)cc1 ZINC000397598572 392152894 /nfs/dbraw/zinc/15/28/94/392152894.db2.gz MVGKSWXFECAWOA-KRWDZBQOSA-N 2 3 273.424 1.850 20 0 CDADHP C[NH+](C)C1CCC([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000423276928 289066353 /nfs/dbraw/zinc/06/63/53/289066353.db2.gz NPOZAJAFFVYQQG-XSCHDIRWSA-N 2 3 253.434 1.966 20 0 CDADHP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCCC[C@@H]2N)CC1 ZINC000422961409 535872511 /nfs/dbraw/zinc/87/25/11/535872511.db2.gz BSPYULDVQNMRBX-JKSUJKDBSA-N 2 3 282.476 1.262 20 0 CDADHP C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCCC[NH2+]1 ZINC000902477700 624825907 /nfs/dbraw/zinc/82/59/07/624825907.db2.gz QSRSQFVKYZVPPI-YJNKXOJESA-N 2 3 251.418 1.496 20 0 CDADHP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)C2CNC2)CC1 ZINC000873242001 834400636 /nfs/dbraw/zinc/40/06/36/834400636.db2.gz KDFOXEBKSXBVTA-ZDUSSCGKSA-N 2 3 253.434 1.694 20 0 CDADHP C[C@@H]1CC[N@H+](CC2CC3(C2)CC[NH2+]CC3)C[C@@H]1CN ZINC001205296613 919135106 /nfs/dbraw/zinc/13/51/06/919135106.db2.gz RQQCPQFMVYBNQQ-HIFRSBDPSA-N 2 3 265.445 1.683 20 0 CDADHP C[C@@H]1CC[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C[C@@H]1CN ZINC001205296613 919135120 /nfs/dbraw/zinc/13/51/20/919135120.db2.gz RQQCPQFMVYBNQQ-HIFRSBDPSA-N 2 3 265.445 1.683 20 0 CDADHP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CCN1 ZINC001246147182 931110103 /nfs/dbraw/zinc/11/01/03/931110103.db2.gz LTWLKUVHUGLZCB-SUJAAXHWSA-N 2 3 265.445 1.742 20 0 CDADHP N[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246546711 931680081 /nfs/dbraw/zinc/68/00/81/931680081.db2.gz NJEBJOFBHYXMSU-RBSFLKMASA-N 2 3 251.418 1.722 20 0 CDADHP N[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246546711 931680084 /nfs/dbraw/zinc/68/00/84/931680084.db2.gz NJEBJOFBHYXMSU-RBSFLKMASA-N 2 3 251.418 1.722 20 0 CDADHP C[NH+]1CCC(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC001120017762 937774199 /nfs/dbraw/zinc/77/41/99/937774199.db2.gz HUMMRCXIENXARM-KRWDZBQOSA-N 2 3 294.487 1.040 20 0 CDADHP C[NH+]1CCC(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC001120017762 937774201 /nfs/dbraw/zinc/77/42/01/937774201.db2.gz HUMMRCXIENXARM-KRWDZBQOSA-N 2 3 294.487 1.040 20 0 CDADHP CC1(C[N@H+](C[C@@H]2CCCNC2)C2CC2)CC[NH2+]CC1 ZINC001236584674 944518555 /nfs/dbraw/zinc/51/85/55/944518555.db2.gz OZMNNBGHXHWFDK-CQSZACIVSA-N 2 3 265.445 1.840 20 0 CDADHP CC1(C[N@@H+](C[C@@H]2CCCNC2)C2CC2)CC[NH2+]CC1 ZINC001236584674 944518560 /nfs/dbraw/zinc/51/85/60/944518560.db2.gz OZMNNBGHXHWFDK-CQSZACIVSA-N 2 3 265.445 1.840 20 0 CDADHP CN1CCC[C@H]([NH2+]C(C)(C)CCNCCC(C)(C)[NH3+])CC1 ZINC001254510521 947473257 /nfs/dbraw/zinc/47/32/57/947473257.db2.gz XJLWGASRFIKIKT-HNNXBMFYSA-N 2 3 298.519 1.946 20 0 CDADHP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001246109771 947962016 /nfs/dbraw/zinc/96/20/16/947962016.db2.gz KVNQWMIYWGYDSM-NPJQDHAYSA-N 2 3 265.445 1.979 20 0 CDADHP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001246112574 947963287 /nfs/dbraw/zinc/96/32/87/947963287.db2.gz RLCJRGLXPHKSHJ-JUVOFCAFSA-N 2 3 295.471 1.608 20 0 CDADHP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CC[NH2+]CC[C@H]2C)CCN1 ZINC001246115435 947967146 /nfs/dbraw/zinc/96/71/46/947967146.db2.gz YPIREGKXKCOOPJ-KBUPBQIOSA-N 2 3 253.434 1.742 20 0 CDADHP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001246122575 947973235 /nfs/dbraw/zinc/97/32/35/947973235.db2.gz XFKAFEQHKWBTLS-JKJDWNRSSA-N 2 3 265.445 1.837 20 0 CDADHP CCCC[C@@H]1C[C@H](NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001246145980 947988511 /nfs/dbraw/zinc/98/85/11/947988511.db2.gz GNOSYFTYPRMOCB-HHARLNAUSA-N 2 3 295.471 1.511 20 0 CDADHP CC[C@@H]1CC(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)C[C@@H](CC)[NH2+]1 ZINC001246153254 947993205 /nfs/dbraw/zinc/99/32/05/947993205.db2.gz YBKKSQCTWXMMDW-XPLWTBFPSA-N 2 3 295.471 1.510 20 0 CDADHP C[C@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CCN1 ZINC001246508162 948217151 /nfs/dbraw/zinc/21/71/51/948217151.db2.gz DLRRRUVXYNQOTM-VXGQWTEUSA-N 2 3 253.434 1.837 20 0 CDADHP [NH3+]C[C@]1(F)CCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246553346 948260431 /nfs/dbraw/zinc/26/04/31/948260431.db2.gz XZPDHMCCOMMCJA-PIGZVRMJSA-N 2 3 255.381 1.422 20 0 CDADHP C[NH2+]C1CCC([N@@H+]2CC[C@@]3(C2)CCCCN3)CC1 ZINC001246619888 948349922 /nfs/dbraw/zinc/34/99/22/948349922.db2.gz JGGFBUDXSIVSDA-YMAMQOFZSA-N 2 3 251.418 1.735 20 0 CDADHP C[NH2+]C1CCC([N@H+]2CC[C@@]3(C2)CCCCN3)CC1 ZINC001246619888 948349929 /nfs/dbraw/zinc/34/99/29/948349929.db2.gz JGGFBUDXSIVSDA-YMAMQOFZSA-N 2 3 251.418 1.735 20 0 CDADHP C1CN([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)[C@@]2(C1)CC[NH2+]C2 ZINC001246647122 948383798 /nfs/dbraw/zinc/38/37/98/948383798.db2.gz HUSMPXOPHCSDSX-XHSDSOJGSA-N 2 3 263.429 1.737 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H]1CN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC001550350208 965873384 /nfs/dbraw/zinc/87/33/84/965873384.db2.gz KNCBYTQPNCZDIY-LJIZCISZSA-N 2 3 281.444 1.203 20 0 CDADHP NC[C@@H](C[NH+]1CCC(C[NH3+])CC1)c1ccc(F)cc1 ZINC000424273006 359987235 /nfs/dbraw/zinc/98/72/35/359987235.db2.gz RVBPCUPZHYXIFS-AWEZNQCLSA-N 2 3 265.376 1.539 20 0 CDADHP C[C@H]1CC[NH2+]CC[C@H]1NCc1cccc2c1CC[NH2+]C2 ZINC000635011000 360654751 /nfs/dbraw/zinc/65/47/51/360654751.db2.gz OQOXGPXUGPOKBA-SUMWQHHRSA-N 2 3 273.424 1.810 20 0 CDADHP [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc4c(c3)C[NH2+]CC4)C[C@@H]12 ZINC000568050981 392344002 /nfs/dbraw/zinc/34/40/02/392344002.db2.gz QGRPNEHCGXBLQE-USXIJHARSA-N 2 3 271.408 1.501 20 0 CDADHP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc2c(c1)CNCC2 ZINC000656785719 413662494 /nfs/dbraw/zinc/66/24/94/413662494.db2.gz IWAMRCPVNOIVBI-CYBMUJFWSA-N 2 3 261.413 1.939 20 0 CDADHP CCN(C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCC[NH2+]CC1 ZINC000903746167 626071083 /nfs/dbraw/zinc/07/10/83/626071083.db2.gz VWUZDNGKLKUIAH-CVEARBPZSA-N 2 3 295.471 1.609 20 0 CDADHP C[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1CN ZINC000903930066 626150796 /nfs/dbraw/zinc/15/07/96/626150796.db2.gz RDVYIBPCLXXCTL-DYALRZPUSA-N 2 3 251.418 1.434 20 0 CDADHP C[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1CN ZINC000903930066 626150799 /nfs/dbraw/zinc/15/07/99/626150799.db2.gz RDVYIBPCLXXCTL-DYALRZPUSA-N 2 3 251.418 1.434 20 0 CDADHP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CCN1c1ccncc1 ZINC000883448094 839095381 /nfs/dbraw/zinc/09/53/81/839095381.db2.gz UMNJDDZMIOSXDL-OAHLLOKOSA-N 2 3 288.439 1.982 20 0 CDADHP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCN1c1ccncc1 ZINC000883448094 839095386 /nfs/dbraw/zinc/09/53/86/839095386.db2.gz UMNJDDZMIOSXDL-OAHLLOKOSA-N 2 3 288.439 1.982 20 0 CDADHP C[C@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCN1c1ccncc1 ZINC000883447576 841582162 /nfs/dbraw/zinc/58/21/62/841582162.db2.gz GFRNQKNTYMOJBU-LSDHHAIUSA-N 2 3 274.412 1.592 20 0 CDADHP C[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCN1c1ccncc1 ZINC000883447576 841582190 /nfs/dbraw/zinc/58/21/90/841582190.db2.gz GFRNQKNTYMOJBU-LSDHHAIUSA-N 2 3 274.412 1.592 20 0 CDADHP C[C@@H](CCC[NH3+])[NH2+]Cc1cc2c(s1)CCNC2 ZINC000873212719 841744634 /nfs/dbraw/zinc/74/46/34/841744634.db2.gz QWKVYLWWYXYKPD-JTQLQIEISA-N 2 3 253.415 1.611 20 0 CDADHP C[C@H]1CC[C@@H](CNC2CCC3(CC[NH2+]C3)CC2)[NH2+]C1 ZINC001246115235 931062370 /nfs/dbraw/zinc/06/23/70/931062370.db2.gz RGNUVVKPFHYGST-UIDBIOKJSA-N 2 3 265.445 1.886 20 0 CDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC[C@@](C)(C[NH3+])C1 ZINC001161488047 938906152 /nfs/dbraw/zinc/90/61/52/938906152.db2.gz JRDXHSWFBRODLR-HOCLYGCPSA-N 2 3 298.475 1.069 20 0 CDADHP CC(C)[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCCNCC1 ZINC001206580564 940063365 /nfs/dbraw/zinc/06/33/65/940063365.db2.gz FBAODZCNVCHSPO-OAHLLOKOSA-N 2 3 253.434 1.839 20 0 CDADHP CC(C)[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCCNCC1 ZINC001206580564 940063370 /nfs/dbraw/zinc/06/33/70/940063370.db2.gz FBAODZCNVCHSPO-OAHLLOKOSA-N 2 3 253.434 1.839 20 0 CDADHP C[NH+](C)CCCC[C@H](N)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001218994110 941298488 /nfs/dbraw/zinc/29/84/88/941298488.db2.gz AUEGBCRMIWXIPU-AWEZNQCLSA-N 2 3 290.411 1.288 20 0 CDADHP CN1CCC[C@@H]1CC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001473703372 970835914 /nfs/dbraw/zinc/83/59/14/970835914.db2.gz KDTULIXKKIMGAN-QLFBSQMISA-N 2 3 251.418 1.354 20 0 CDADHP CN1CCC[C@@H]1CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001473703372 970835917 /nfs/dbraw/zinc/83/59/17/970835917.db2.gz KDTULIXKKIMGAN-QLFBSQMISA-N 2 3 251.418 1.354 20 0 CDADHP CN1CCC[C@@H]1CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001473703372 970835921 /nfs/dbraw/zinc/83/59/21/970835921.db2.gz KDTULIXKKIMGAN-QLFBSQMISA-N 2 3 251.418 1.354 20 0 CDADHP CN1CCC[C@@H]1CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001473703372 970835924 /nfs/dbraw/zinc/83/59/24/970835924.db2.gz KDTULIXKKIMGAN-QLFBSQMISA-N 2 3 251.418 1.354 20 0 CDADHP F[C@@H]1CCNC[C@]12CC[N@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235401119 944144293 /nfs/dbraw/zinc/14/42/93/944144293.db2.gz FURABQOAOPWXEX-WBVHZDCISA-N 2 3 295.446 1.790 20 0 CDADHP F[C@@H]1CCNC[C@]12CC[N@@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235401119 944144295 /nfs/dbraw/zinc/14/42/95/944144295.db2.gz FURABQOAOPWXEX-WBVHZDCISA-N 2 3 295.446 1.790 20 0 CDADHP CCCCC[C@H](O)CNCCC[NH2+]CCCC[NH3+] ZINC001246011149 947891670 /nfs/dbraw/zinc/89/16/70/947891670.db2.gz SENVWYXFVUFHFN-AWEZNQCLSA-N 2 3 259.438 1.236 20 0 CDADHP CC[C@H]1C[C@@H]([NH2+]CC2CC3(C2)CC[NH2+]CC3)CCN1 ZINC001246127915 947974096 /nfs/dbraw/zinc/97/40/96/947974096.db2.gz RNTBJPGXAHIQGH-GJZGRUSLSA-N 2 3 265.445 1.886 20 0 CDADHP CCCC[C@@H]1C[C@@H](NC[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246145446 947987260 /nfs/dbraw/zinc/98/72/60/947987260.db2.gz WZBGAACOKQOJKN-QEOTZNIISA-N 2 3 295.471 1.511 20 0 CDADHP c1cncc(C2(C[NH2+]C3CCNCC3)CC[NH2+]CC2)c1 ZINC001246423571 948167141 /nfs/dbraw/zinc/16/71/41/948167141.db2.gz PSGGDIDRVCTVSQ-UHFFFAOYSA-N 2 3 274.412 1.044 20 0 CDADHP c1cncc(C2(CNC3CC[NH2+]CC3)CC[NH2+]CC2)c1 ZINC001246423571 948167146 /nfs/dbraw/zinc/16/71/46/948167146.db2.gz PSGGDIDRVCTVSQ-UHFFFAOYSA-N 2 3 274.412 1.044 20 0 CDADHP [NH3+]CCCNCCC[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC001246454421 948183203 /nfs/dbraw/zinc/18/32/03/948183203.db2.gz SGHWHKLBGDPSEI-SJORKVTESA-N 2 3 290.455 1.398 20 0 CDADHP N[C@H]1CCC[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246549433 948255537 /nfs/dbraw/zinc/25/55/37/948255537.db2.gz XDMISUFXPBRYOX-UONOGXRCSA-N 2 3 251.418 1.722 20 0 CDADHP N[C@H]1CCC[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246549433 948255545 /nfs/dbraw/zinc/25/55/45/948255545.db2.gz XDMISUFXPBRYOX-UONOGXRCSA-N 2 3 251.418 1.722 20 0 CDADHP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CC[C@@H]1C[NH3+] ZINC001246555291 948261334 /nfs/dbraw/zinc/26/13/34/948261334.db2.gz DJSRDJSWHBXICC-SUJAAXHWSA-N 2 3 265.445 1.966 20 0 CDADHP C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CC[C@@H]1C[NH3+] ZINC001246555291 948261342 /nfs/dbraw/zinc/26/13/42/948261342.db2.gz DJSRDJSWHBXICC-SUJAAXHWSA-N 2 3 265.445 1.966 20 0 CDADHP NCC[C@@H]1CCC[N@@H+]1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246847736 948474633 /nfs/dbraw/zinc/47/46/33/948474633.db2.gz RXZIPGHSEFYQDJ-SOUVJXGZSA-N 2 3 251.418 1.722 20 0 CDADHP NCC[C@@H]1CCC[N@H+]1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246847736 948474636 /nfs/dbraw/zinc/47/46/36/948474636.db2.gz RXZIPGHSEFYQDJ-SOUVJXGZSA-N 2 3 251.418 1.722 20 0 CDADHP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@H+]1C1CCC2(CC1)CNCCO2 ZINC001246934250 948530133 /nfs/dbraw/zinc/53/01/33/948530133.db2.gz SUYOKFDSEANCMR-RYTJFDOTSA-N 2 3 293.455 1.219 20 0 CDADHP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@@H+]1C1CCC2(CC1)CNCCO2 ZINC001246934250 948530143 /nfs/dbraw/zinc/53/01/43/948530143.db2.gz SUYOKFDSEANCMR-RYTJFDOTSA-N 2 3 293.455 1.219 20 0 CDADHP C([C@@H]1CCC[NH2+]C1)N(C1CC1)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246972573 948549679 /nfs/dbraw/zinc/54/96/79/948549679.db2.gz KUOSMLRTJIPZIT-OCCSQVGLSA-N 2 3 281.469 1.298 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H]1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001550348782 965867242 /nfs/dbraw/zinc/86/72/42/965867242.db2.gz FXZMZUDGHGGSHJ-DMRZNYOFSA-N 2 3 281.444 1.060 20 0 CDADHP CN1CCC[C@@H]1CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000336719271 359775919 /nfs/dbraw/zinc/77/59/19/359775919.db2.gz VOBHLISMKPOPEI-OAHLLOKOSA-N 2 3 253.434 1.744 20 0 CDADHP CC(C)[C@H](CN)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000634994631 360621763 /nfs/dbraw/zinc/62/17/63/360621763.db2.gz JIKKZTIYFLGYKS-LSDHHAIUSA-N 2 3 253.434 1.539 20 0 CDADHP CC(C)[C@H](C[NH3+])CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000634994631 360621767 /nfs/dbraw/zinc/62/17/67/360621767.db2.gz JIKKZTIYFLGYKS-LSDHHAIUSA-N 2 3 253.434 1.539 20 0 CDADHP C[C@]1(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC[NH2+]C1 ZINC000414771919 241378664 /nfs/dbraw/zinc/37/86/64/241378664.db2.gz ASHDAQRDEWNOFW-ILXRZTDVSA-N 2 3 251.418 1.308 20 0 CDADHP C[C@H]([NH3+])C[C@H](C)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000422905621 245392111 /nfs/dbraw/zinc/39/21/11/245392111.db2.gz ZKJMMJFLGOKHLN-KBPBESRZSA-N 2 3 279.428 1.842 20 0 CDADHP C[C@@H]1CN(CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)O1 ZINC000422913791 245398956 /nfs/dbraw/zinc/39/89/56/245398956.db2.gz QTANTSAIFLOJEA-DNLWUEFJSA-N 2 3 295.471 1.748 20 0 CDADHP C(C[NH2+][C@]12CCC[C@@H]1CNC2)CC1CC[NH2+]CC1 ZINC000631867112 376750348 /nfs/dbraw/zinc/75/03/48/376750348.db2.gz JOGVWXFSGXUOHN-CABCVRRESA-N 2 3 251.418 1.498 20 0 CDADHP CC[NH+](CC)CCOCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423040417 392293028 /nfs/dbraw/zinc/29/30/28/392293028.db2.gz UFVMWWXYSICNFX-ZACQAIPSSA-N 2 3 297.487 1.855 20 0 CDADHP C[C@@H]1C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000663498456 414298942 /nfs/dbraw/zinc/29/89/42/414298942.db2.gz SXAWRCGGPHMDJC-MGPQQGTHSA-N 2 3 251.418 1.496 20 0 CDADHP C[NH+](C)CCC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346819525 289108126 /nfs/dbraw/zinc/10/81/26/289108126.db2.gz HLFYNTDCYIECAM-OAHLLOKOSA-N 2 3 253.434 1.650 20 0 CDADHP C[C@]1(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCCNC1 ZINC000904349606 626261270 /nfs/dbraw/zinc/26/12/70/626261270.db2.gz BJIPPERCYPQQEF-OAGGEKHMSA-N 2 3 265.445 1.698 20 0 CDADHP C[C@]1(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCCNC1 ZINC000904349606 626261271 /nfs/dbraw/zinc/26/12/71/626261271.db2.gz BJIPPERCYPQQEF-OAGGEKHMSA-N 2 3 265.445 1.698 20 0 CDADHP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C1CNC1 ZINC000925820035 846474392 /nfs/dbraw/zinc/47/43/92/846474392.db2.gz BTAOHLKFQQUMOI-IUDNXUCKSA-N 2 3 265.445 1.981 20 0 CDADHP N[C@H](CCC[NH3+])Nc1ccc(COC2CC[NH2+]CC2)cc1 ZINC001170901063 930703002 /nfs/dbraw/zinc/70/30/02/930703002.db2.gz VEYIIQYGBWCGHB-INIZCTEOSA-N 2 3 292.427 1.391 20 0 CDADHP C[NH2+]C1CCC([N@@H+]2CCC[C@@]23CCCNC3)CC1 ZINC001246611376 932084691 /nfs/dbraw/zinc/08/46/91/932084691.db2.gz STGWHIQMSOSYGF-YMAMQOFZSA-N 2 3 251.418 1.735 20 0 CDADHP C[NH2+]C1CCC([N@H+]2CCC[C@@]23CCCNC3)CC1 ZINC001246611376 932084702 /nfs/dbraw/zinc/08/47/02/932084702.db2.gz STGWHIQMSOSYGF-YMAMQOFZSA-N 2 3 251.418 1.735 20 0 CDADHP C[NH2+]C1CCC(N2CCC[C@@]23CCC[NH2+]C3)CC1 ZINC001246611376 932084711 /nfs/dbraw/zinc/08/47/11/932084711.db2.gz STGWHIQMSOSYGF-YMAMQOFZSA-N 2 3 251.418 1.735 20 0 CDADHP CCN1CCC[C@H](C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC001118120203 937594112 /nfs/dbraw/zinc/59/41/12/937594112.db2.gz VBUIGGGKUFRNKM-ZNMIVQPWSA-N 2 3 253.434 1.696 20 0 CDADHP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCC[N@H+](C)C1 ZINC001276497899 940100820 /nfs/dbraw/zinc/10/08/20/940100820.db2.gz PPUQPDUPEMIWRG-ZACQAIPSSA-N 2 3 294.487 1.038 20 0 CDADHP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCC[N@@H+](C)C1 ZINC001276497899 940100822 /nfs/dbraw/zinc/10/08/22/940100822.db2.gz PPUQPDUPEMIWRG-ZACQAIPSSA-N 2 3 294.487 1.038 20 0 CDADHP C([C@@H]1CCCNC1)[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235154847 944072943 /nfs/dbraw/zinc/07/29/43/944072943.db2.gz WOZUIDWZCWGPSH-ZBFHGGJFSA-N 2 3 265.445 1.840 20 0 CDADHP C([C@@H]1CCCNC1)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235154847 944072948 /nfs/dbraw/zinc/07/29/48/944072948.db2.gz WOZUIDWZCWGPSH-ZBFHGGJFSA-N 2 3 265.445 1.840 20 0 CDADHP C[C@@H]1CC[C@H](CN[C@H]2CCC3(C2)CC[NH2+]CC3)[NH2+]C1 ZINC001246113863 947965508 /nfs/dbraw/zinc/96/55/08/947965508.db2.gz OCPIXQILVOMKBB-QLFBSQMISA-N 2 3 265.445 1.886 20 0 CDADHP CC(C)(C)[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H]3C[NH2+]C[C@H]23)CCN1 ZINC001246134355 947979586 /nfs/dbraw/zinc/97/95/86/947979586.db2.gz UBZVDTAALWJWAO-DGXTUMSLSA-N 2 3 279.472 1.988 20 0 CDADHP C[C@H]1C[C@@H]([NH2+]CC2(CC3CC3)CC[NH2+]CC2)CCN1 ZINC001246386641 948148796 /nfs/dbraw/zinc/14/87/96/948148796.db2.gz SCDRDKQXIWKUOQ-ZFWWWQNUSA-N 2 3 265.445 1.886 20 0 CDADHP Cc1cc(F)ccc1[C@@H]1C[C@@H](NCCNCC[NH3+])CC[NH2+]1 ZINC001246403357 948156998 /nfs/dbraw/zinc/15/69/98/948156998.db2.gz FEBJGFZRBRCNLX-HOCLYGCPSA-N 2 3 294.418 1.065 20 0 CDADHP CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC[C@H](C[NH3+])C1)C2 ZINC001246580892 948310062 /nfs/dbraw/zinc/31/00/62/948310062.db2.gz IQOJKAWRILOJSI-KBXIAJHMSA-N 2 3 251.418 1.672 20 0 CDADHP CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC[C@H](C[NH3+])C1)C2 ZINC001246580892 948310067 /nfs/dbraw/zinc/31/00/67/948310067.db2.gz IQOJKAWRILOJSI-KBXIAJHMSA-N 2 3 251.418 1.672 20 0 CDADHP C[NH2+]C1CCC([N@@H+]2CC[C@]3(C2)CCCNC3)CC1 ZINC001246600151 948335431 /nfs/dbraw/zinc/33/54/31/948335431.db2.gz DFIVXWAPVAYSBB-YMAMQOFZSA-N 2 3 251.418 1.593 20 0 CDADHP C[NH2+]C1CCC([N@H+]2CC[C@]3(C2)CCCNC3)CC1 ZINC001246600151 948335440 /nfs/dbraw/zinc/33/54/40/948335440.db2.gz DFIVXWAPVAYSBB-YMAMQOFZSA-N 2 3 251.418 1.593 20 0 CDADHP CC[C@H]1CC(N2CCNC3(CC[NH2+]CC3)C2)C[C@H](CC)[NH2+]1 ZINC001246604116 948336603 /nfs/dbraw/zinc/33/66/03/948336603.db2.gz NAKFVBKKCOQWNS-GJZGRUSLSA-N 2 3 294.487 1.323 20 0 CDADHP CC[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CC[C@]3(N)C2)C[C@H](CC)[NH2+]1 ZINC001246855060 948481258 /nfs/dbraw/zinc/48/12/58/948481258.db2.gz SFLHSSDLSTWPLW-RMEBNNNOSA-N 2 3 251.418 1.719 20 0 CDADHP CC[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CC[C@]3(N)C2)C[C@H](CC)[NH2+]1 ZINC001246855060 948481263 /nfs/dbraw/zinc/48/12/63/948481263.db2.gz SFLHSSDLSTWPLW-RMEBNNNOSA-N 2 3 251.418 1.719 20 0 CDADHP NC[C@@H]1CCC[C@@H]1[NH2+]C1CC(C[NH3+])(c2ccccc2)C1 ZINC001550945049 966297688 /nfs/dbraw/zinc/29/76/88/966297688.db2.gz QYPMCYJKVSNLMG-PXZKZTPFSA-N 2 3 273.424 1.763 20 0 CDADHP C(CC1CC[NH2+]CC1)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000650763413 398184248 /nfs/dbraw/zinc/18/42/48/398184248.db2.gz ZQDFTRJVJXCDEU-CABCVRRESA-N 2 3 251.418 1.593 20 0 CDADHP C(CC1CC[NH2+]CC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000650763413 398184249 /nfs/dbraw/zinc/18/42/49/398184249.db2.gz ZQDFTRJVJXCDEU-CABCVRRESA-N 2 3 251.418 1.593 20 0 CDADHP C(CC1CC[NH2+]CC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000650763413 398184253 /nfs/dbraw/zinc/18/42/53/398184253.db2.gz ZQDFTRJVJXCDEU-CABCVRRESA-N 2 3 251.418 1.593 20 0 CDADHP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CCCNC2)CC1 ZINC000346816842 359094771 /nfs/dbraw/zinc/09/47/71/359094771.db2.gz BANMZWYRFRZKTK-HOCLYGCPSA-N 2 3 283.460 1.011 20 0 CDADHP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H]2CCCNC2)CC1 ZINC000346816842 359094777 /nfs/dbraw/zinc/09/47/77/359094777.db2.gz BANMZWYRFRZKTK-HOCLYGCPSA-N 2 3 283.460 1.011 20 0 CDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000422974609 359732583 /nfs/dbraw/zinc/73/25/83/359732583.db2.gz FOIBWMGQWPUAAF-PMPSAXMXSA-N 2 3 283.460 1.201 20 0 CDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000422974609 359732586 /nfs/dbraw/zinc/73/25/86/359732586.db2.gz FOIBWMGQWPUAAF-PMPSAXMXSA-N 2 3 283.460 1.201 20 0 CDADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1cccc2c1CC[NH2+]C2 ZINC000635011588 360655574 /nfs/dbraw/zinc/65/55/74/360655574.db2.gz RAAOADIQRRSWBG-AFAVFJNCSA-N 2 3 289.423 1.174 20 0 CDADHP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](CN3CCCC3)C2)CC[NH2+]1 ZINC000414705159 241341321 /nfs/dbraw/zinc/34/13/21/241341321.db2.gz NPPNZOFJSHXPCW-BZUAXINKSA-N 2 3 265.445 1.792 20 0 CDADHP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](CN3CCCC3)C2)CC[NH2+]1 ZINC000414705159 241341324 /nfs/dbraw/zinc/34/13/24/241341324.db2.gz NPPNZOFJSHXPCW-BZUAXINKSA-N 2 3 265.445 1.792 20 0 CDADHP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000422902368 245385588 /nfs/dbraw/zinc/38/55/88/245385588.db2.gz UNHPQPPPWFVMJK-CQSZACIVSA-N 2 3 279.428 1.844 20 0 CDADHP C[C@H](CCC[NH3+])[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000423023357 392281745 /nfs/dbraw/zinc/28/17/45/392281745.db2.gz JQRKJWQMAHYVCY-CYBMUJFWSA-N 2 3 280.416 1.239 20 0 CDADHP CC[NH+](CC)CCOCCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000423034140 392288885 /nfs/dbraw/zinc/28/88/85/392288885.db2.gz HHSIVUBQKMEYLY-UONOGXRCSA-N 2 3 257.422 1.062 20 0 CDADHP C(CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000420376369 397702138 /nfs/dbraw/zinc/70/21/38/397702138.db2.gz QQRGHINPKDJKOJ-UXLLHSPISA-N 2 3 277.456 1.935 20 0 CDADHP C(CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000420376369 397702142 /nfs/dbraw/zinc/70/21/42/397702142.db2.gz QQRGHINPKDJKOJ-UXLLHSPISA-N 2 3 277.456 1.935 20 0 CDADHP C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423553424 296576606 /nfs/dbraw/zinc/57/66/06/296576606.db2.gz QMKULIYGDXXANK-KHMAMNHCSA-N 2 3 251.418 1.352 20 0 CDADHP NC[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665233309 413958134 /nfs/dbraw/zinc/95/81/34/413958134.db2.gz DQKHHKWZQYHJHN-DOTOQJQBSA-N 2 3 295.471 1.594 20 0 CDADHP [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccc4c3CC[NH2+]C4)C[C@H]12 ZINC000662265301 423808933 /nfs/dbraw/zinc/80/89/33/423808933.db2.gz GSDWZFOVUAKAPD-HYVNUMGLSA-N 2 3 271.408 1.501 20 0 CDADHP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)CN1CCCC1 ZINC000400908257 424415414 /nfs/dbraw/zinc/41/54/14/424415414.db2.gz AAKLJMYUMJLIKC-QKPAOTATSA-N 2 3 265.445 1.696 20 0 CDADHP C[C@H]1CCNCC[C@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000422733399 299999177 /nfs/dbraw/zinc/99/91/77/299999177.db2.gz BEMSXBPXODMEQG-DZGCQCFKSA-N 2 3 253.434 1.696 20 0 CDADHP CCOC(=O)C1([C@@H](C)NCCC[NH2+]C(C)C)CC[NH2+]CC1 ZINC000582719778 325029702 /nfs/dbraw/zinc/02/97/02/325029702.db2.gz MNEWIDAVPPFCBT-CQSZACIVSA-N 2 3 299.459 1.286 20 0 CDADHP C[N@@H+]1CC[C@@](O)(CN[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925640662 617584623 /nfs/dbraw/zinc/58/46/23/617584623.db2.gz UDNMNIMXZVSZIQ-HZPDHXFCSA-N 2 3 277.412 1.123 20 0 CDADHP C[N@H+]1CC[C@@](O)(CN[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925640662 617584625 /nfs/dbraw/zinc/58/46/25/617584625.db2.gz UDNMNIMXZVSZIQ-HZPDHXFCSA-N 2 3 277.412 1.123 20 0 CDADHP CC(C)(C)[C@@H](C[NH3+])NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903752257 626073958 /nfs/dbraw/zinc/07/39/58/626073958.db2.gz LRXCYAPBHCHIQH-QWHCGFSZSA-N 2 3 269.433 1.108 20 0 CDADHP [NH3+]C1CCN(c2cccc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@@H]34)n2)CC1 ZINC001162797377 939144121 /nfs/dbraw/zinc/14/41/21/939144121.db2.gz MLULWCQQCDUQRH-BPLDGKMQSA-N 2 3 299.422 1.195 20 0 CDADHP CC[NH+]1CCC(CN2CCN(CCC[NH+](C)C)CC2)CC1 ZINC001208598650 940346498 /nfs/dbraw/zinc/34/64/98/940346498.db2.gz VPHIALKUJDACKR-UHFFFAOYSA-N 2 3 296.503 1.288 20 0 CDADHP C(C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1)[C@@H]1CNCCO1 ZINC001222161955 941570164 /nfs/dbraw/zinc/57/01/64/941570164.db2.gz UHCKSRSIQURGJH-SJORKVTESA-N 2 3 295.471 1.611 20 0 CDADHP C(C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1)[C@@H]1CNCCO1 ZINC001222161955 941570166 /nfs/dbraw/zinc/57/01/66/941570166.db2.gz UHCKSRSIQURGJH-SJORKVTESA-N 2 3 295.471 1.611 20 0 CDADHP CC1(C[N@H+]2CCCCC23CCNCC3)CC[NH2+]CC1 ZINC001235189810 944082912 /nfs/dbraw/zinc/08/29/12/944082912.db2.gz CGWYDOYWZSWEBR-UHFFFAOYSA-N 2 3 265.445 1.984 20 0 CDADHP CC1(C[N@@H+]2CCCCC23CCNCC3)CC[NH2+]CC1 ZINC001235189810 944082905 /nfs/dbraw/zinc/08/29/05/944082905.db2.gz CGWYDOYWZSWEBR-UHFFFAOYSA-N 2 3 265.445 1.984 20 0 CDADHP C[C@H]1CC[NH2+]C[C@@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC001246116818 947967979 /nfs/dbraw/zinc/96/79/79/947967979.db2.gz XFKAFEQHKWBTLS-BLNMRFBMSA-N 2 3 265.445 1.837 20 0 CDADHP CC(C)([NH3+])CCNCCC(C)(C)[NH2+][C@@H]1CCCNC1 ZINC001246349439 948124454 /nfs/dbraw/zinc/12/44/54/948124454.db2.gz YYLYYSJUPGLMSP-CYBMUJFWSA-N 2 3 270.465 1.214 20 0 CDADHP c1ccc(C2(C[NH2+]C3CCNCC3)CC[NH2+]CC2)cc1 ZINC001246376658 948143112 /nfs/dbraw/zinc/14/31/12/948143112.db2.gz WXXRDKZBLPYTPJ-UHFFFAOYSA-N 2 3 273.424 1.649 20 0 CDADHP C1CC1[C@H]([NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1)C1CNC1 ZINC001246513874 948219102 /nfs/dbraw/zinc/21/91/02/948219102.db2.gz FOLLGVBBSYVJQU-JYJNAYRXSA-N 2 3 263.429 1.496 20 0 CDADHP C1CN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@]2(C1)CCC[NH2+]CC2 ZINC001246604619 948336636 /nfs/dbraw/zinc/33/66/36/948336636.db2.gz HGDSKTNDBQCTMY-VFSICIBPSA-N 2 3 263.429 1.878 20 0 CDADHP CC[NH+](CC)C1CCC(N2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246635054 948371477 /nfs/dbraw/zinc/37/14/77/948371477.db2.gz JAUWMZZGQYMCJO-OFLPRAFFSA-N 2 3 294.487 1.277 20 0 CDADHP C[C@H]1CC[C@H](N2CCC(N3CCC([NH3+])CC3)CC2)C[NH2+]1 ZINC001246967655 948545695 /nfs/dbraw/zinc/54/56/95/948545695.db2.gz IQQCOBPFNIWELQ-BBRMVZONSA-N 2 3 280.460 1.014 20 0 CDADHP [NH3+]C[C@@H]1CN(CC[C@H]2CC[NH2+]C2)CC[C@@H]1C(F)(F)F ZINC000629559252 363002811 /nfs/dbraw/zinc/00/28/11/363002811.db2.gz ANMJMIAZVHASLE-UTUOFQBUSA-N 2 3 279.350 1.445 20 0 CDADHP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000422859247 359664158 /nfs/dbraw/zinc/66/41/58/359664158.db2.gz HDQNNAVUYZWBOG-RBSFLKMASA-N 2 3 271.449 1.450 20 0 CDADHP C[C@@H]1C[C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)CC[N@@H+]1C ZINC000635010284 360653265 /nfs/dbraw/zinc/65/32/65/360653265.db2.gz RYYFWGZRMDSEGS-KGLIPLIRSA-N 2 3 289.427 1.386 20 0 CDADHP C[C@@H]1C[C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)CC[N@H+]1C ZINC000635010284 360653270 /nfs/dbraw/zinc/65/32/70/360653270.db2.gz RYYFWGZRMDSEGS-KGLIPLIRSA-N 2 3 289.427 1.386 20 0 CDADHP C[C@H]1CN(Cc2cccc3c2CC[NH2+]C3)C[C@@H]1C[NH3+] ZINC000630077819 367347479 /nfs/dbraw/zinc/34/74/79/367347479.db2.gz QOXQZEVGCWBBNP-WFASDCNBSA-N 2 3 259.397 1.359 20 0 CDADHP C[NH+](C)C1CCN(CCN[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422820286 245297335 /nfs/dbraw/zinc/29/73/35/245297335.db2.gz PUUJUBHGTIYCRP-ZBFHGGJFSA-N 2 3 282.476 1.120 20 0 CDADHP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000422820286 245297339 /nfs/dbraw/zinc/29/73/39/245297339.db2.gz PUUJUBHGTIYCRP-ZBFHGGJFSA-N 2 3 282.476 1.120 20 0 CDADHP CC[NH+](CC)CCOCCNC1CC[NH+](CC)CC1 ZINC000349667865 154173530 /nfs/dbraw/zinc/17/35/30/154173530.db2.gz QQJPMBRBKHLRMF-UHFFFAOYSA-N 2 3 271.449 1.419 20 0 CDADHP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CNCC3)C1 ZINC000656787085 413663932 /nfs/dbraw/zinc/66/39/32/413663932.db2.gz SVPXBWRJGRLEET-LRDDRELGSA-N 2 3 259.397 1.549 20 0 CDADHP C[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)[C@H]1CCN ZINC000652356235 424303224 /nfs/dbraw/zinc/30/32/24/424303224.db2.gz XVVANKHLWVEQNM-ZFWWWQNUSA-N 2 3 253.434 1.825 20 0 CDADHP C[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)[C@H]1CCN ZINC000652356235 424303232 /nfs/dbraw/zinc/30/32/32/424303232.db2.gz XVVANKHLWVEQNM-ZFWWWQNUSA-N 2 3 253.434 1.825 20 0 CDADHP CSC1(CN[C@H](C)[C@H]2CCCC[NH2+]2)CC[NH+](C)CC1 ZINC000423123101 278126074 /nfs/dbraw/zinc/12/60/74/278126074.db2.gz MASDVEVFANDJOM-ZIAGYGMSSA-N 2 3 285.501 1.934 20 0 CDADHP NCC1([C@H]2CCCC[N@@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)CCC1 ZINC000903810736 626100788 /nfs/dbraw/zinc/10/07/88/626100788.db2.gz GFNZWIVGNSOSAU-HUUCEWRRSA-N 2 3 293.455 1.348 20 0 CDADHP NCC1([C@H]2CCCC[N@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)CCC1 ZINC000903810736 626100789 /nfs/dbraw/zinc/10/07/89/626100789.db2.gz GFNZWIVGNSOSAU-HUUCEWRRSA-N 2 3 293.455 1.348 20 0 CDADHP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CC[C@@]2(C1)CCCCN2 ZINC000904430240 626291505 /nfs/dbraw/zinc/29/15/05/626291505.db2.gz PUBPCJYVXDHRCN-WTXIUTQJSA-N 2 3 263.429 1.735 20 0 CDADHP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CC[C@@]2(C1)CCCCN2 ZINC000904430240 626291508 /nfs/dbraw/zinc/29/15/08/626291508.db2.gz PUBPCJYVXDHRCN-WTXIUTQJSA-N 2 3 263.429 1.735 20 0 CDADHP CC[NH+]1CCC(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000381271120 705929343 /nfs/dbraw/zinc/92/93/43/705929343.db2.gz CLVGGAVICQTROV-ZVDSWSACSA-N 2 3 263.429 1.304 20 0 CDADHP C[N@H+](CC1CC[NH+](C)CC1)C[C@]1(C)CCCNC1 ZINC000063125158 709838396 /nfs/dbraw/zinc/83/83/96/709838396.db2.gz MJTKSRIPEIIRNB-OAHLLOKOSA-N 2 3 253.434 1.650 20 0 CDADHP C[N@@H+](CC1CC[NH+](C)CC1)C[C@]1(C)CCCNC1 ZINC000063125158 709838403 /nfs/dbraw/zinc/83/84/03/709838403.db2.gz MJTKSRIPEIIRNB-OAHLLOKOSA-N 2 3 253.434 1.650 20 0 CDADHP COCCCN1CCC([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001172247912 911518914 /nfs/dbraw/zinc/51/89/14/911518914.db2.gz PRFAHMSJUOLNKE-DLBZAZTESA-N 2 3 297.487 1.950 20 0 CDADHP N[C@@H](CCCC[NH3+])C(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218996399 941299643 /nfs/dbraw/zinc/29/96/43/941299643.db2.gz ITSCTBGDKQTSQB-HIFRSBDPSA-N 2 3 290.411 1.158 20 0 CDADHP CC[NH+](CC)CCC[C@@H](C)N1CCN(CC[NH3+])CC1 ZINC001258899243 945442323 /nfs/dbraw/zinc/44/23/23/945442323.db2.gz IOKIKDHIXXXNNP-OAHLLOKOSA-N 2 3 270.465 1.073 20 0 CDADHP C[C@H]1CC[C@H](C[NH2+]C2CCC(N3CCOCC3)CC2)C[NH2+]1 ZINC001246095480 947947265 /nfs/dbraw/zinc/94/72/65/947947265.db2.gz KFLVGCNQLQSQFJ-JUVOFCAFSA-N 2 3 295.471 1.608 20 0 CDADHP C[C@H]1[NH2+]CCC[C@H]1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001246112577 947963414 /nfs/dbraw/zinc/96/34/14/947963414.db2.gz RLCJRGLXPHKSHJ-XNIRIUNOSA-N 2 3 295.471 1.608 20 0 CDADHP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCOC23CC[NH2+]CC3)CCN1 ZINC001246135550 947980580 /nfs/dbraw/zinc/98/05/80/947980580.db2.gz BCCVYJWTVHXDTC-RBSFLKMASA-N 2 3 281.444 1.265 20 0 CDADHP CC[C@H]1CC(NC[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)C[C@H](CC)[NH2+]1 ZINC001246139825 947982852 /nfs/dbraw/zinc/98/28/52/947982852.db2.gz BVPJUSNSVSCXOS-JBJRXJHCSA-N 2 3 295.471 1.510 20 0 CDADHP C[C@@H]1CC[C@@H](N[C@@H]2CCOC3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246256058 948058918 /nfs/dbraw/zinc/05/89/18/948058918.db2.gz NFJOLGPHSPNQMJ-MGPQQGTHSA-N 2 3 267.417 1.018 20 0 CDADHP C[C@]1(CN[C@H]2CCC3(C2)CC[NH2+]CC3)CCC[NH2+]1 ZINC001246457281 948182354 /nfs/dbraw/zinc/18/23/54/948182354.db2.gz RPJHZBKPBNXJEM-UONOGXRCSA-N 2 3 251.418 1.640 20 0 CDADHP CC[C@]1([NH2+][C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCNC1 ZINC001246459482 948184633 /nfs/dbraw/zinc/18/46/33/948184633.db2.gz KJDFZGWCDIZPBT-ZNMIVQPWSA-N 2 3 251.418 1.640 20 0 CDADHP CCCC[C@@H]1C[C@@H](N2CCC[C@](O)(C[NH3+])CC2)CC[NH2+]1 ZINC001246539131 948237979 /nfs/dbraw/zinc/23/79/79/948237979.db2.gz AUDCIMKIRVBISU-OWCLPIDISA-N 2 3 283.460 1.473 20 0 CDADHP C[NH2+]C1CCC(N2CCOC[C@@]3(CCC[NH2+]C3)C2)CC1 ZINC001246634122 948360049 /nfs/dbraw/zinc/36/00/49/948360049.db2.gz AGGRTLUPEQUSFF-UYSNPLJNSA-N 2 3 281.444 1.219 20 0 CDADHP NC[C@H]1CCC[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246774431 948432146 /nfs/dbraw/zinc/43/21/46/948432146.db2.gz FJUMJHUUBWQBME-QQFBHYJXSA-N 2 3 265.445 1.970 20 0 CDADHP NC[C@H]1CCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246774431 948432151 /nfs/dbraw/zinc/43/21/51/948432151.db2.gz FJUMJHUUBWQBME-QQFBHYJXSA-N 2 3 265.445 1.970 20 0 CDADHP C1CC2(C1)C[C@@H]([N@H+]1C[C@@H]3CC[NH2+]CC[C@@H]3C1)CCN2 ZINC001246934269 948529745 /nfs/dbraw/zinc/52/97/45/948529745.db2.gz TWIUQLBQDOEUEM-ZNMIVQPWSA-N 2 3 263.429 1.593 20 0 CDADHP C1CC2(C1)C[C@@H]([N@@H+]1C[C@@H]3CC[NH2+]CC[C@@H]3C1)CCN2 ZINC001246934269 948529751 /nfs/dbraw/zinc/52/97/51/948529751.db2.gz TWIUQLBQDOEUEM-ZNMIVQPWSA-N 2 3 263.429 1.593 20 0 CDADHP C[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2)[C@@H]1CCC[NH3+] ZINC001328437233 955294839 /nfs/dbraw/zinc/29/48/39/955294839.db2.gz NBUMDDFJCYAWIM-RBSFLKMASA-N 2 3 253.434 1.825 20 0 CDADHP C[C@@H]1CCC[N@@H+](C[C@@H]2CCCNC2)[C@@H]1CCC[NH3+] ZINC001328437233 955294847 /nfs/dbraw/zinc/29/48/47/955294847.db2.gz NBUMDDFJCYAWIM-RBSFLKMASA-N 2 3 253.434 1.825 20 0 CDADHP C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CC[NH+](C)CC1 ZINC000643545772 356005127 /nfs/dbraw/zinc/00/51/27/356005127.db2.gz CDVHNRJTHXUEGL-DZGCQCFKSA-N 2 3 265.445 1.981 20 0 CDADHP C(C[NH+]1CCC(N2CCCCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000089749178 357503661 /nfs/dbraw/zinc/50/36/61/357503661.db2.gz KPXBSPXSXJYCOC-HNNXBMFYSA-N 2 3 265.445 1.936 20 0 CDADHP C[C@H](CCCC[NH3+])[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000422914187 359671509 /nfs/dbraw/zinc/67/15/09/359671509.db2.gz SBXXQVRDDFPWBL-OAGGEKHMSA-N 2 3 285.476 1.983 20 0 CDADHP CC(C)[C@H](C[NH3+])CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000634996468 360625671 /nfs/dbraw/zinc/62/56/71/360625671.db2.gz KULJWBBBNQNWOA-OAGGEKHMSA-N 2 3 283.460 1.436 20 0 CDADHP CC(C)[C@H](CN)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000634996468 360625676 /nfs/dbraw/zinc/62/56/76/360625676.db2.gz KULJWBBBNQNWOA-OAGGEKHMSA-N 2 3 283.460 1.436 20 0 CDADHP [NH3+][C@@H]1CCCCC[C@H]1Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000635010727 360654760 /nfs/dbraw/zinc/65/47/60/360654760.db2.gz KZZIZNJQJXYRLC-HUUCEWRRSA-N 2 3 289.427 1.563 20 0 CDADHP C[N@H+](CCCC[NH2+][C@@H]1CCCC[C@@H]1CN)C1CC1 ZINC000423158464 392398149 /nfs/dbraw/zinc/39/81/49/392398149.db2.gz CRLMDSOSHVQGIS-UKRRQHHQSA-N 2 3 253.434 1.968 20 0 CDADHP C[N@@H+](CCCC[NH2+][C@@H]1CCCC[C@@H]1CN)C1CC1 ZINC000423158464 392398155 /nfs/dbraw/zinc/39/81/55/392398155.db2.gz CRLMDSOSHVQGIS-UKRRQHHQSA-N 2 3 253.434 1.968 20 0 CDADHP COCC1(CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)CC[NH2+]CC1 ZINC000414976131 292246585 /nfs/dbraw/zinc/24/65/85/292246585.db2.gz OUNBCNKRZSQFBP-JKSUJKDBSA-N 2 3 297.487 1.903 20 0 CDADHP NC[C@]12CCC[C@H]1C[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000652352446 424282087 /nfs/dbraw/zinc/28/20/87/424282087.db2.gz ZQDYTPZMRNGLHC-GJZGRUSLSA-N 2 3 251.418 1.437 20 0 CDADHP NC[C@]12CCC[C@H]1C[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000652352446 424282095 /nfs/dbraw/zinc/28/20/95/424282095.db2.gz ZQDYTPZMRNGLHC-GJZGRUSLSA-N 2 3 251.418 1.437 20 0 CDADHP NC[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423435493 295267489 /nfs/dbraw/zinc/26/74/89/295267489.db2.gz ZBOVRKCPNYPECP-TUVASFSCSA-N 2 3 253.434 1.859 20 0 CDADHP CC(C)(C)[NH+]1CCC(N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000666954589 483017895 /nfs/dbraw/zinc/01/78/95/483017895.db2.gz YLSOQMMWTCWYNZ-AWEZNQCLSA-N 2 3 265.445 1.981 20 0 CDADHP [NH3+]CC1CCC([NH2+][C@@H]2CCNC3(CCC3)C2)CC1 ZINC000666993815 483038338 /nfs/dbraw/zinc/03/83/38/483038338.db2.gz LVLOQPFKDPNZQI-JXQTWKCFSA-N 2 3 251.418 1.768 20 0 CDADHP c1cc(N2CC[NH2+]CC2)cc(N[C@H]2CC[NH2+]C23CCC3)n1 ZINC000925721784 617852274 /nfs/dbraw/zinc/85/22/74/617852274.db2.gz GIBJOIBPFSKKEY-AWEZNQCLSA-N 2 3 287.411 1.188 20 0 CDADHP CCN(C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCC[NH2+]CC1 ZINC000903746169 626070968 /nfs/dbraw/zinc/07/09/68/626070968.db2.gz VWUZDNGKLKUIAH-HOTGVXAUSA-N 2 3 295.471 1.609 20 0 CDADHP C[C@@H](C[C@@H]1CCC[NH2+]1)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC001575941552 1167654201 /nfs/dbraw/zinc/65/42/01/1167654201.db2.gz RSFYFBZZDYZNCO-JYJNAYRXSA-N 2 3 284.492 1.379 20 0 CDADHP c1ccc(C[NH+]2C[C@@H]3CN(C4CC[NH2+]CC4)C[C@H]3C2)cc1 ZINC000705955695 894927906 /nfs/dbraw/zinc/92/79/06/894927906.db2.gz OPCYGQQRKZETIS-IAGOWNOFSA-N 2 3 285.435 1.802 20 0 CDADHP C([C@H]1CCC[NH2+]C1)N1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235233156 914108831 /nfs/dbraw/zinc/10/88/31/914108831.db2.gz OLDLIAQZJIPEIO-HOCLYGCPSA-N 2 3 265.445 1.840 20 0 CDADHP CC(C)(C)[C@@]1(C[NH3+])CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923413508 923818361 /nfs/dbraw/zinc/81/83/61/923818361.db2.gz GNPQHKYMFFARKW-CZUORRHYSA-N 2 3 281.444 1.062 20 0 CDADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(CC[NH3+])cc1 ZINC000817947603 930641587 /nfs/dbraw/zinc/64/15/87/930641587.db2.gz BVTWQXUTEVYRID-CZUORRHYSA-N 2 3 261.413 1.666 20 0 CDADHP NCc1ccnn1-c1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001162597499 939099151 /nfs/dbraw/zinc/09/91/51/939099151.db2.gz IEUFTUWEKVRTHD-UHFFFAOYSA-N 2 3 299.422 1.502 20 0 CDADHP C[C@@H]1C[NH2+]CCC[C@H]1C[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC001246101238 947952810 /nfs/dbraw/zinc/95/28/10/947952810.db2.gz ZUYDDMMFYZOMKQ-QLFBSQMISA-N 2 3 265.445 1.886 20 0 CDADHP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CCN1 ZINC001246140683 947985810 /nfs/dbraw/zinc/98/58/10/947985810.db2.gz BUNLDXYEDOJFOF-AICCOOGYSA-N 2 3 251.418 1.352 20 0 CDADHP C[C@H]1CNCC[C@H]1[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246209681 948028050 /nfs/dbraw/zinc/02/80/50/948028050.db2.gz IHVPMERDACCSRE-JWMHWRSXSA-N 2 3 265.445 1.886 20 0 CDADHP F[C@H]1CCNC[C@@H]1C[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246224639 948038487 /nfs/dbraw/zinc/03/84/87/948038487.db2.gz XWTSVSBAJSOWPP-HIFRSBDPSA-N 2 3 283.435 1.836 20 0 CDADHP CC1(C)C[C@H]([NH2+]C2CCNCC2)C[C@](C)(C[NH3+])C1 ZINC001246245247 948051536 /nfs/dbraw/zinc/05/15/36/948051536.db2.gz QAJFQWDJJLVTNT-ZFWWWQNUSA-N 2 3 253.434 1.872 20 0 CDADHP CCCC[C@@H]1C[C@H](N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC001246257036 948059399 /nfs/dbraw/zinc/05/93/99/948059399.db2.gz RBJSZBVSSJGJEW-VQHPVUNQSA-N 2 3 295.471 1.798 20 0 CDADHP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCN1 ZINC001246364563 948137474 /nfs/dbraw/zinc/13/74/74/948137474.db2.gz IDTDDIHRNBHXPG-HOCLYGCPSA-N 2 3 295.471 1.608 20 0 CDADHP C(C[NH+]1CCCC1)OCC1CC[NH+](C2CCNCC2)CC1 ZINC001246540809 948243154 /nfs/dbraw/zinc/24/31/54/948243154.db2.gz MOLKJLXFJTTWCP-UHFFFAOYSA-N 2 3 295.471 1.563 20 0 CDADHP C(C[NH+]1CCCC1)OCC1CCN(C2CC[NH2+]CC2)CC1 ZINC001246540809 948243163 /nfs/dbraw/zinc/24/31/63/948243163.db2.gz MOLKJLXFJTTWCP-UHFFFAOYSA-N 2 3 295.471 1.563 20 0 CDADHP CC(C)(C)[C@@H]1C[C@@H](N2CCC[C@@](O)(C[NH3+])CC2)CC[NH2+]1 ZINC001246543319 948247638 /nfs/dbraw/zinc/24/76/38/948247638.db2.gz MUJAUHJHRIRCJX-DZKIICNBSA-N 2 3 283.460 1.329 20 0 CDADHP NC[C@H]1CCCC[N@@H+](C2CCC3(C[NH2+]C3)CC2)C1 ZINC001246597645 948335593 /nfs/dbraw/zinc/33/55/93/948335593.db2.gz XZWBAFZMEALNMB-CYBMUJFWSA-N 2 3 251.418 1.579 20 0 CDADHP NC[C@H]1CCCC[N@H+](C2CCC3(C[NH2+]C3)CC2)C1 ZINC001246597645 948335604 /nfs/dbraw/zinc/33/56/04/948335604.db2.gz XZWBAFZMEALNMB-CYBMUJFWSA-N 2 3 251.418 1.579 20 0 CDADHP CC(C)(C)[C@H]1C[C@@H](N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CC[NH2+]1 ZINC001246631866 948368691 /nfs/dbraw/zinc/36/86/91/948368691.db2.gz UAHOLFNRGFSXBG-QKPAOTATSA-N 2 3 295.471 1.463 20 0 CDADHP CC1([NH3+])CCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256853815 948435491 /nfs/dbraw/zinc/43/54/91/948435491.db2.gz USWAWSHVFREAIO-UHFFFAOYSA-N 2 3 274.412 1.864 20 0 CDADHP C[C@@H]1C[C@@H]([NH+]2CCC(C3CC[NH2+]CC3)CC2)CCN1 ZINC001246797029 948443713 /nfs/dbraw/zinc/44/37/13/948443713.db2.gz UAHOZHKRTAAKPI-CJNGLKHVSA-N 2 3 265.445 1.839 20 0 CDADHP C[C@@H]1C[C@@H](N2CCC(C3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246797029 948443717 /nfs/dbraw/zinc/44/37/17/948443717.db2.gz UAHOZHKRTAAKPI-CJNGLKHVSA-N 2 3 265.445 1.839 20 0 CDADHP C[N@H+](C[C@@H]1CCCNC1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246848797 948475393 /nfs/dbraw/zinc/47/53/93/948475393.db2.gz OFMIPJUWXJJBKD-QQFBHYJXSA-N 2 3 265.445 1.840 20 0 CDADHP C[N@@H+](C[C@@H]1CCCNC1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246848797 948475397 /nfs/dbraw/zinc/47/53/97/948475397.db2.gz OFMIPJUWXJJBKD-QQFBHYJXSA-N 2 3 265.445 1.840 20 0 CDADHP C[C@H]1C[C@@H](N2CCN(CC3CC[NH+](C)CC3)CC2)CC[NH2+]1 ZINC001246948518 948536158 /nfs/dbraw/zinc/53/61/58/948536158.db2.gz KOJHZOBZQPASJP-RDJZCZTQSA-N 2 3 294.487 1.086 20 0 CDADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC001553024558 964486473 /nfs/dbraw/zinc/48/64/73/964486473.db2.gz HZLPYVSYXZBXSJ-VJTDZRGJSA-N 2 3 251.418 1.480 20 0 CDADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001553028376 964495358 /nfs/dbraw/zinc/49/53/58/964495358.db2.gz WRQDITLOHYETQC-VJTDZRGJSA-N 2 3 251.418 1.480 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H]1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001550349913 965869458 /nfs/dbraw/zinc/86/94/58/965869458.db2.gz UVSLBUFEFYCMCU-MIGQKNRLSA-N 2 3 281.444 1.060 20 0 CDADHP CN1CCC[C@@H]1CC[N@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550542079 966025942 /nfs/dbraw/zinc/02/59/42/966025942.db2.gz KDTULIXKKIMGAN-RBSFLKMASA-N 2 3 251.418 1.354 20 0 CDADHP CN1CCC[C@@H]1CC[N@@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550542079 966025954 /nfs/dbraw/zinc/02/59/54/966025954.db2.gz KDTULIXKKIMGAN-RBSFLKMASA-N 2 3 251.418 1.354 20 0 CDADHP CN1CCC[C@@H]1CC[NH+]1C[C@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001550542079 966025966 /nfs/dbraw/zinc/02/59/66/966025966.db2.gz KDTULIXKKIMGAN-RBSFLKMASA-N 2 3 251.418 1.354 20 0 CDADHP CN1CCC[C@@H]1CC[NH+]1C[C@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001550542079 966025980 /nfs/dbraw/zinc/02/59/80/966025980.db2.gz KDTULIXKKIMGAN-RBSFLKMASA-N 2 3 251.418 1.354 20 0 CDADHP CC1(N2CCOCC2)CCC([NH2+]C2CC(C[NH3+])C2)CC1 ZINC001551402991 966615686 /nfs/dbraw/zinc/61/56/86/966615686.db2.gz PAOVEAJXGOXNLQ-UHFFFAOYSA-N 2 3 281.444 1.347 20 0 CDADHP CC1(C)[C@@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC001553024820 967421723 /nfs/dbraw/zinc/42/17/23/967421723.db2.gz QZPAYVBNTVZKJN-MCIONIFRSA-N 2 3 251.418 1.352 20 0 CDADHP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](C)[C@H]2CCN)CC[NH2+]1 ZINC000650711813 398155517 /nfs/dbraw/zinc/15/55/17/398155517.db2.gz FKLDZWXJDNYDNF-GBJTYRQASA-N 2 3 253.434 1.824 20 0 CDADHP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](C)[C@H]2CCN)CC[NH2+]1 ZINC000650711813 398155519 /nfs/dbraw/zinc/15/55/19/398155519.db2.gz FKLDZWXJDNYDNF-GBJTYRQASA-N 2 3 253.434 1.824 20 0 CDADHP [NH3+]C[C@H]1CN(CCC2CC[NH2+]CC2)CC[C@@H]1C(F)(F)F ZINC000629560981 363008074 /nfs/dbraw/zinc/00/80/74/363008074.db2.gz GHWQZSKIZBMIQY-STQMWFEESA-N 2 3 293.377 1.835 20 0 CDADHP NC[C@@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(F)cc1 ZINC000424285286 359991244 /nfs/dbraw/zinc/99/12/44/359991244.db2.gz OWHWXZPFNOKJBE-XHSDSOJGSA-N 2 3 291.414 1.799 20 0 CDADHP NC[C@@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(F)cc1 ZINC000424285286 359991246 /nfs/dbraw/zinc/99/12/46/359991246.db2.gz OWHWXZPFNOKJBE-XHSDSOJGSA-N 2 3 291.414 1.799 20 0 CDADHP C[C@@H]([NH3+])C[C@@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635007910 360657967 /nfs/dbraw/zinc/65/79/67/360657967.db2.gz BRAZJVHIPROFIK-VXGBXAGGSA-N 2 3 263.389 1.029 20 0 CDADHP C[C@H]1C[C@@H](C[NH+]2CCC(OCCN(C)C)CC2)CC[NH2+]1 ZINC000414689942 241323883 /nfs/dbraw/zinc/32/38/83/241323883.db2.gz GXIOWCSQFQIJEY-GJZGRUSLSA-N 2 3 283.460 1.417 20 0 CDADHP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCNCC1 ZINC000420306044 244054693 /nfs/dbraw/zinc/05/46/93/244054693.db2.gz HFSLJNSZDXNEEP-GJZGRUSLSA-N 2 3 253.434 1.840 20 0 CDADHP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCNCC1 ZINC000420306044 244054696 /nfs/dbraw/zinc/05/46/96/244054696.db2.gz HFSLJNSZDXNEEP-GJZGRUSLSA-N 2 3 253.434 1.840 20 0 CDADHP C(CC1CC[NH2+]CC1)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000647908374 391240775 /nfs/dbraw/zinc/24/07/75/391240775.db2.gz DYFNYAVURHHQKL-HNNXBMFYSA-N 2 3 251.418 1.452 20 0 CDADHP C(CN1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC000334991310 391993322 /nfs/dbraw/zinc/99/33/22/391993322.db2.gz DCENOQRPBIMODP-GJZGRUSLSA-N 2 3 251.418 1.452 20 0 CDADHP C[NH+]1CCC(CC[NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000252703125 392250111 /nfs/dbraw/zinc/25/01/11/392250111.db2.gz JQDDGXOXZDIBTO-HOTGVXAUSA-N 2 3 265.445 1.935 20 0 CDADHP COCC1(CN[C@@H](C)C[C@@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000414976744 292246420 /nfs/dbraw/zinc/24/64/20/292246420.db2.gz QACCBNZYCZEKJV-KBPBESRZSA-N 2 3 269.433 1.123 20 0 CDADHP [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc2c(c1)C[NH2+]CC2 ZINC000656786786 413664879 /nfs/dbraw/zinc/66/48/79/413664879.db2.gz QMRDEZSVVJMQJN-GOEBONIOSA-N 2 3 259.397 1.549 20 0 CDADHP C[C@@H]([NH3+])[C@@H]1CCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662265713 414599714 /nfs/dbraw/zinc/59/97/14/414599714.db2.gz IAJMBQBNAAGLGK-TZMCWYRMSA-N 2 3 259.397 1.501 20 0 CDADHP CCN(CC)CCC[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349162 482463824 /nfs/dbraw/zinc/46/38/24/482463824.db2.gz CWULRMIHCDGICV-GVDBMIGSSA-N 2 3 297.487 1.937 20 0 CDADHP CCN(CC)CCC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349162 482463825 /nfs/dbraw/zinc/46/38/25/482463825.db2.gz CWULRMIHCDGICV-GVDBMIGSSA-N 2 3 297.487 1.937 20 0 CDADHP COCC[N@H+](C)CCCC1CCN(CCC[NH3+])CC1 ZINC000414707548 536778793 /nfs/dbraw/zinc/77/87/93/536778793.db2.gz OEGYJCQNABGAFM-UHFFFAOYSA-N 2 3 271.449 1.406 20 0 CDADHP COCC[N@@H+](C)CCCC1CCN(CCC[NH3+])CC1 ZINC000414707548 536778798 /nfs/dbraw/zinc/77/87/98/536778798.db2.gz OEGYJCQNABGAFM-UHFFFAOYSA-N 2 3 271.449 1.406 20 0 CDADHP CN(CCCO)C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000892045568 617438160 /nfs/dbraw/zinc/43/81/60/617438160.db2.gz XSDXAPJVCOXQLT-UHFFFAOYSA-N 2 3 283.460 1.107 20 0 CDADHP C[NH+]1CCC(CN2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC000891506331 617451204 /nfs/dbraw/zinc/45/12/04/617451204.db2.gz WSPWOPVSUXJBPZ-UHFFFAOYSA-N 2 3 294.487 1.042 20 0 CDADHP CC[NH+](CC)CCOCCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925648505 617591450 /nfs/dbraw/zinc/59/14/50/617591450.db2.gz VHBJFESGEALIIP-KGLIPLIRSA-N 2 3 269.433 1.204 20 0 CDADHP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000925777522 617674152 /nfs/dbraw/zinc/67/41/52/617674152.db2.gz FERFXHGZPSVAFF-WCFLWFBJSA-N 2 3 262.401 1.769 20 0 CDADHP C[C@@H]1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]1C[NH3+] ZINC000903757728 626088306 /nfs/dbraw/zinc/08/83/06/626088306.db2.gz GPELQEDUZYOJHF-ILXRZTDVSA-N 2 3 281.444 1.062 20 0 CDADHP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@]2(C)CCCNC2)C1 ZINC001578529342 1171943796 /nfs/dbraw/zinc/94/37/96/1171943796.db2.gz UDKUIYFUKQFLMW-HUUCEWRRSA-N 2 3 253.434 1.698 20 0 CDADHP C[N@H+]1CCC[C@H](CC[NH2+]C[C@]2(C)CCCNC2)C1 ZINC001578529342 1171943801 /nfs/dbraw/zinc/94/38/01/1171943801.db2.gz UDKUIYFUKQFLMW-HUUCEWRRSA-N 2 3 253.434 1.698 20 0 CDADHP CN1CC2(C1)CC[NH+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168328436 909057654 /nfs/dbraw/zinc/05/76/54/909057654.db2.gz GKVHJNKSNICYAN-UHFFFAOYSA-N 2 3 265.445 1.887 20 0 CDADHP N[C@@H](CCC[NH3+])Nc1ccc(COC2CC[NH2+]CC2)cc1 ZINC001170901064 930702885 /nfs/dbraw/zinc/70/28/85/930702885.db2.gz VEYIIQYGBWCGHB-MRXNPFEDSA-N 2 3 292.427 1.391 20 0 CDADHP F[C@@]1(CN[C@H]2CCC3(C2)CC[NH2+]CC3)CCCC[NH2+]C1 ZINC001246113825 931061365 /nfs/dbraw/zinc/06/13/65/931061365.db2.gz OALRRQHFRBYPMP-HOCLYGCPSA-N 2 3 283.435 1.980 20 0 CDADHP C(N[C@@H]1CCCC[NH2+]C1)[C@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001246148064 931105830 /nfs/dbraw/zinc/10/58/30/931105830.db2.gz PMYFNRRBLUFVEA-TUVASFSCSA-N 2 3 251.418 1.354 20 0 CDADHP N[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246546704 931680135 /nfs/dbraw/zinc/68/01/35/931680135.db2.gz NJEBJOFBHYXMSU-KFWWJZLASA-N 2 3 251.418 1.722 20 0 CDADHP N[C@@H]1CCC[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246546704 931680137 /nfs/dbraw/zinc/68/01/37/931680137.db2.gz NJEBJOFBHYXMSU-KFWWJZLASA-N 2 3 251.418 1.722 20 0 CDADHP [NH3+]CC1(F)CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001246631897 932139319 /nfs/dbraw/zinc/13/93/19/932139319.db2.gz XSIDPWNSYFOASL-UHFFFAOYSA-N 2 3 269.408 1.624 20 0 CDADHP CN1CC2(C1)CC[NH+](CCC1CC[NH+](C)CC1)CC2 ZINC001207487861 940206798 /nfs/dbraw/zinc/20/67/98/940206798.db2.gz VRAXRIINRFDJKX-UHFFFAOYSA-N 2 3 265.445 1.746 20 0 CDADHP CC(C)(C[NH3+])c1ccc(NC(=O)[C@@H](N)CCCC[NH3+])cc1 ZINC001218896918 941285735 /nfs/dbraw/zinc/28/57/35/941285735.db2.gz CFGBYBQXTVMXKA-AWEZNQCLSA-N 2 3 292.427 1.318 20 0 CDADHP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N[C@@]1(C)CCCN(C)C1 ZINC001221244249 941506309 /nfs/dbraw/zinc/50/63/09/941506309.db2.gz UFFFQVVHHGYTQP-HOCLYGCPSA-N 2 3 298.475 1.083 20 0 CDADHP C([C@H]1CC[NH2+]C1)N1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235234269 944100404 /nfs/dbraw/zinc/10/04/04/944100404.db2.gz WYTPNESZHVLNSW-ZFWWWQNUSA-N 2 3 251.418 1.450 20 0 CDADHP F[C@@H]1CCNC[C@]12CC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC001235405015 944146612 /nfs/dbraw/zinc/14/66/12/944146612.db2.gz ONNYYZQXAKHHED-CABCVRRESA-N 2 3 269.408 1.400 20 0 CDADHP F[C@@H]1CCNC[C@]12CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC001235405015 944146613 /nfs/dbraw/zinc/14/66/13/944146613.db2.gz ONNYYZQXAKHHED-CABCVRRESA-N 2 3 269.408 1.400 20 0 CDADHP C[C@@H]1CC[C@@H](CNC2CCC3(CC2)C[NH2+]CCO3)[NH2+]C1 ZINC001246105961 947957739 /nfs/dbraw/zinc/95/77/39/947957739.db2.gz CHVBJIYKPMQQBG-CIDNJEQPSA-N 2 3 281.444 1.265 20 0 CDADHP CCCC[C@@H]1C[C@@H]([NH2+]CC[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCN1 ZINC001246151769 947994485 /nfs/dbraw/zinc/99/44/85/947994485.db2.gz RCCZZGBTXCNZNY-JKJDWNRSSA-N 2 3 265.445 1.742 20 0 CDADHP C[C@@H]1C[C@@H](NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)CC[NH2+]1 ZINC001246171349 948005893 /nfs/dbraw/zinc/00/58/93/948005893.db2.gz JJRABGYNKWGLLG-ILXRZTDVSA-N 2 3 281.444 1.265 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)CO2)CCN1 ZINC001246171349 948005899 /nfs/dbraw/zinc/00/58/99/948005899.db2.gz JJRABGYNKWGLLG-ILXRZTDVSA-N 2 3 281.444 1.265 20 0 CDADHP C[C@@H]1[C@H](CN)CCC[N@@H+]1[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246566661 948286619 /nfs/dbraw/zinc/28/66/19/948286619.db2.gz TYKXOPMMXKBFQF-QXSJWSMHSA-N 2 3 265.445 1.968 20 0 CDADHP C[C@@H]1[C@H](CN)CCC[N@H+]1[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246566661 948286630 /nfs/dbraw/zinc/28/66/30/948286630.db2.gz TYKXOPMMXKBFQF-QXSJWSMHSA-N 2 3 265.445 1.968 20 0 CDADHP CCCC[C@@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])CC[NH2+]1 ZINC001246655808 948390179 /nfs/dbraw/zinc/39/01/79/948390179.db2.gz AQWYGVAHJUOWTL-AICCOOGYSA-N 2 3 251.418 1.719 20 0 CDADHP C1C[NH2+]C[C@@H]([C@@H]2CCC[N@@H+](C3CCNCC3)C2)C1 ZINC001246678074 948401155 /nfs/dbraw/zinc/40/11/55/948401155.db2.gz MXMPHFUFWMCZGZ-UONOGXRCSA-N 2 3 251.418 1.450 20 0 CDADHP C1C[NH2+]C[C@@H]([C@@H]2CCC[N@H+](C3CCNCC3)C2)C1 ZINC001246678074 948401160 /nfs/dbraw/zinc/40/11/60/948401160.db2.gz MXMPHFUFWMCZGZ-UONOGXRCSA-N 2 3 251.418 1.450 20 0 CDADHP C[C@H]1CC(N2CCC([C@H]3CCC[NH2+]3)CC2)C[C@H](C)[NH2+]1 ZINC001246830812 948464263 /nfs/dbraw/zinc/46/42/63/948464263.db2.gz IKWRVGQNLWVPIO-HEHGZKQESA-N 2 3 265.445 1.979 20 0 CDADHP C(C[N@@H+]1CC[C@]2(C1)CCCNC2)[C@H]1CCC[NH2+]C1 ZINC000335005467 539060437 /nfs/dbraw/zinc/06/04/37/539060437.db2.gz BDEUQYVFXLULIW-HUUCEWRRSA-N 2 3 251.418 1.452 20 0 CDADHP C(C[N@H+]1CC[C@]2(C1)CCCNC2)[C@H]1CCC[NH2+]C1 ZINC000335005467 539060438 /nfs/dbraw/zinc/06/04/38/539060438.db2.gz BDEUQYVFXLULIW-HUUCEWRRSA-N 2 3 251.418 1.452 20 0 CDADHP O[C@H](CNCCCCC[NH+]1CCCCC1)C[NH+]1CCCC1 ZINC000629560986 363007700 /nfs/dbraw/zinc/00/77/00/363007700.db2.gz GIVJQDIEPZVTNG-QGZVFWFLSA-N 2 3 297.487 1.689 20 0 CDADHP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](CN)[C@H](C)C[C@@H]2C)CC[NH2+]1 ZINC000422560122 359642868 /nfs/dbraw/zinc/64/28/68/359642868.db2.gz FRNJSHGQSMUFNM-QMIVOQANSA-N 2 3 253.434 1.680 20 0 CDADHP C[C@@H]1C[C@H](C[N@H+]2C[C@H](CN)[C@H](C)C[C@@H]2C)CC[NH2+]1 ZINC000422560122 359642871 /nfs/dbraw/zinc/64/28/71/359642871.db2.gz FRNJSHGQSMUFNM-QMIVOQANSA-N 2 3 253.434 1.680 20 0 CDADHP C[C@@H]1CN(Cc2cccc3c2CC[NH2+]C3)C[C@@H]1C[NH3+] ZINC000630077815 367347436 /nfs/dbraw/zinc/34/74/36/367347436.db2.gz QOXQZEVGCWBBNP-DOMZBBRYSA-N 2 3 259.397 1.359 20 0 CDADHP CN(CC[C@H]1CC[NH2+]C1)CC[C@H]1CCCC[N@@H+]1C ZINC000420324868 244087903 /nfs/dbraw/zinc/08/79/03/244087903.db2.gz VMKDMQQGXYLHOF-HUUCEWRRSA-N 2 3 253.434 1.792 20 0 CDADHP CN(CC[C@H]1CC[NH2+]C1)CC[C@H]1CCCC[N@H+]1C ZINC000420324868 244087908 /nfs/dbraw/zinc/08/79/08/244087908.db2.gz VMKDMQQGXYLHOF-HUUCEWRRSA-N 2 3 253.434 1.792 20 0 CDADHP CCN(CC)C[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420325793 376339644 /nfs/dbraw/zinc/33/96/44/376339644.db2.gz WSXMYNPTOAICRB-LSDHHAIUSA-N 2 3 253.434 1.650 20 0 CDADHP CCN(CC)C[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420325793 376339653 /nfs/dbraw/zinc/33/96/53/376339653.db2.gz WSXMYNPTOAICRB-LSDHHAIUSA-N 2 3 253.434 1.650 20 0 CDADHP CC[NH+](CC)C[C@H]1CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000420325793 376339656 /nfs/dbraw/zinc/33/96/56/376339656.db2.gz WSXMYNPTOAICRB-LSDHHAIUSA-N 2 3 253.434 1.650 20 0 CDADHP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CCCNC2)CC1 ZINC000346816839 391373057 /nfs/dbraw/zinc/37/30/57/391373057.db2.gz BANMZWYRFRZKTK-GDBMZVCRSA-N 2 3 283.460 1.011 20 0 CDADHP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H]2CCCNC2)CC1 ZINC000346816839 391373062 /nfs/dbraw/zinc/37/30/62/391373062.db2.gz BANMZWYRFRZKTK-GDBMZVCRSA-N 2 3 283.460 1.011 20 0 CDADHP C([C@@H]1CCCNC1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414775067 391377223 /nfs/dbraw/zinc/37/72/23/391377223.db2.gz GCKJXUROHWPTNE-KFWWJZLASA-N 2 3 251.418 1.308 20 0 CDADHP C([C@@H]1CCCNC1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414775067 391377229 /nfs/dbraw/zinc/37/72/29/391377229.db2.gz GCKJXUROHWPTNE-KFWWJZLASA-N 2 3 251.418 1.308 20 0 CDADHP CCOC(=O)C1([C@@H](C)[NH2+]CC(N)(CC)CC)CC[NH2+]CC1 ZINC000423290973 392490501 /nfs/dbraw/zinc/49/05/01/392490501.db2.gz GDLBROXDOSZARK-CYBMUJFWSA-N 2 3 299.459 1.415 20 0 CDADHP CCOC(=O)C1([C@@H](C)NCC([NH3+])(CC)CC)CC[NH2+]CC1 ZINC000423290973 392490506 /nfs/dbraw/zinc/49/05/06/392490506.db2.gz GDLBROXDOSZARK-CYBMUJFWSA-N 2 3 299.459 1.415 20 0 CDADHP COCC1(CN[C@H](C)C[C@H]2CCCCC[NH2+]2)CC[NH2+]CC1 ZINC000414976128 292249122 /nfs/dbraw/zinc/24/91/22/292249122.db2.gz OUNBCNKRZSQFBP-HZPDHXFCSA-N 2 3 297.487 1.903 20 0 CDADHP COCC1(CN[C@H](C)[C@@H]2CCCC[NH2+]2)CC[NH2+]CC1 ZINC000423409419 292249156 /nfs/dbraw/zinc/24/91/56/292249156.db2.gz PZWAPBJOPCBXFQ-KGLIPLIRSA-N 2 3 269.433 1.123 20 0 CDADHP C([C@@H]1CCCNC1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783582 413651491 /nfs/dbraw/zinc/65/14/91/413651491.db2.gz QTPQPVMLETZPNT-GDBMZVCRSA-N 2 3 265.445 1.698 20 0 CDADHP C([C@@H]1CCCNC1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783582 413651495 /nfs/dbraw/zinc/65/14/95/413651495.db2.gz QTPQPVMLETZPNT-GDBMZVCRSA-N 2 3 265.445 1.698 20 0 CDADHP C([C@H]1CCC[NH2+]C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656787030 413666503 /nfs/dbraw/zinc/66/65/03/413666503.db2.gz RKLQGQCWMJRNSY-GOEBONIOSA-N 2 3 265.445 1.698 20 0 CDADHP [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccc4c3CC[NH2+]C4)C[C@@H]12 ZINC000662265299 423810497 /nfs/dbraw/zinc/81/04/97/423810497.db2.gz GSDWZFOVUAKAPD-DJIMGWMZSA-N 2 3 271.408 1.501 20 0 CDADHP C[C@@]1(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC000530248827 271183195 /nfs/dbraw/zinc/18/31/95/271183195.db2.gz QABSJJCKSDIZIP-JKSUJKDBSA-N 2 3 281.444 1.077 20 0 CDADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000423463398 303365443 /nfs/dbraw/zinc/36/54/43/303365443.db2.gz PWZQHFAPZWWHRR-MIEVHRRBSA-N 2 3 263.429 1.719 20 0 CDADHP CCN(C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCC[NH2+]CC1 ZINC000903746171 626070739 /nfs/dbraw/zinc/07/07/39/626070739.db2.gz VWUZDNGKLKUIAH-HZPDHXFCSA-N 2 3 295.471 1.609 20 0 CDADHP C[C@@H]1C[C@@H](C)N(Cc2ccc(C[NH3+])cc2)C[C@H]1C[NH3+] ZINC000904372731 626268663 /nfs/dbraw/zinc/26/86/63/626268663.db2.gz HWHBOZNQIOGOSC-XJKCOSOUSA-N 2 3 261.413 1.951 20 0 CDADHP CCN(CC)CC[C@@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC001255946792 936801097 /nfs/dbraw/zinc/80/10/97/936801097.db2.gz IPCFKAKDJXJJBQ-OAHLLOKOSA-N 2 3 285.476 1.401 20 0 CDADHP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCN1 ZINC001246205299 931202413 /nfs/dbraw/zinc/20/24/13/931202413.db2.gz LMPHUKTZAUSIPP-TUVASFSCSA-N 2 3 253.434 1.872 20 0 CDADHP CC[C@@H]1C[C@@H](N2CCC(C[NH3+])CC2)C[C@H](CC)[NH2+]1 ZINC001246536744 931625654 /nfs/dbraw/zinc/62/56/54/931625654.db2.gz CRYCKJUAZJGIGV-QDMKHBRRSA-N 2 3 253.434 1.966 20 0 CDADHP C[C@@]1(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)CCCNC1 ZINC001120371415 937796219 /nfs/dbraw/zinc/79/62/19/937796219.db2.gz YFQUHFWNQFAAKL-OAHLLOKOSA-N 2 3 265.445 1.842 20 0 CDADHP C[C@@]1(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)CCCNC1 ZINC001120371415 937796220 /nfs/dbraw/zinc/79/62/20/937796220.db2.gz YFQUHFWNQFAAKL-OAHLLOKOSA-N 2 3 265.445 1.842 20 0 CDADHP FC1(CN2CCC[C@]23CCC[NH2+]CC3)CC[NH2+]CC1 ZINC001222307808 941582188 /nfs/dbraw/zinc/58/21/88/941582188.db2.gz BRDMOKPTGFDSGQ-HNNXBMFYSA-N 2 3 269.408 1.686 20 0 CDADHP [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc4c(c3)CC[NH2+]C4)C[C@H]12 ZINC001236822434 944580941 /nfs/dbraw/zinc/58/09/41/944580941.db2.gz YPOYQCFSXAPKNC-YESZJQIVSA-N 2 3 271.408 1.501 20 0 CDADHP C[NH+]1CCC(C)(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001237380097 944737515 /nfs/dbraw/zinc/73/75/15/944737515.db2.gz FGQZNKAHXMXXNO-GJZGRUSLSA-N 2 3 265.445 1.792 20 0 CDADHP C[C@@H]1CC([NH2+]C[C@]2(C)CCC[NH2+]CC2)C[C@@H](C)N1 ZINC001246093063 947941168 /nfs/dbraw/zinc/94/11/68/947941168.db2.gz GTPJLULWBWQMNQ-UMVBOHGHSA-N 2 3 253.434 1.885 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246132679 947977139 /nfs/dbraw/zinc/97/71/39/947977139.db2.gz UCJQLZHCPUTJTL-HZSPNIEDSA-N 2 3 251.418 1.639 20 0 CDADHP C1CC2(CC[NH2+]1)CCC([NH2+][C@@H]1[C@H]3CNC[C@@H]1COC3)CC2 ZINC001246145977 947989842 /nfs/dbraw/zinc/98/98/42/947989842.db2.gz GMIFXTAXWNXMJC-FOLVSLTJSA-N 2 3 293.455 1.123 20 0 CDADHP CCCC[C@H]1C[C@@H]([NH2+]CC[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCN1 ZINC001246151771 947994363 /nfs/dbraw/zinc/99/43/63/947994363.db2.gz RCCZZGBTXCNZNY-UVPYHEFZSA-N 2 3 265.445 1.742 20 0 CDADHP C[C@@H]1CC[C@H](N[C@@H]2CCOC3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246256057 948059584 /nfs/dbraw/zinc/05/95/84/948059584.db2.gz NFJOLGPHSPNQMJ-MCIONIFRSA-N 2 3 267.417 1.018 20 0 CDADHP C[C@@H]1CC[N@@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@H]1CN ZINC001246549957 948254941 /nfs/dbraw/zinc/25/49/41/948254941.db2.gz IUPFZUIURHDZBF-WXLSXGNJSA-N 2 3 265.445 1.825 20 0 CDADHP C[C@@H]1CC[N@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@H]1CN ZINC001246549957 948254950 /nfs/dbraw/zinc/25/49/50/948254950.db2.gz IUPFZUIURHDZBF-WXLSXGNJSA-N 2 3 265.445 1.825 20 0 CDADHP C[C@@H]1[C@H]([NH3+])CCN1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246549316 948256422 /nfs/dbraw/zinc/25/64/22/948256422.db2.gz JZVXDBKLRPUXQP-TZMCWYRMSA-N 2 3 251.418 1.720 20 0 CDADHP C[C@@H]1CC[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C[C@@H]1CN ZINC001246552872 948259114 /nfs/dbraw/zinc/25/91/14/948259114.db2.gz PQLNFUQAWYJSRU-ILXRZTDVSA-N 2 3 265.445 1.825 20 0 CDADHP C[C@@H]1CC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C[C@@H]1CN ZINC001246552872 948259127 /nfs/dbraw/zinc/25/91/27/948259127.db2.gz PQLNFUQAWYJSRU-ILXRZTDVSA-N 2 3 265.445 1.825 20 0 CDADHP C[NH2+]CC[C@@H](C)N1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001246662543 948394545 /nfs/dbraw/zinc/39/45/45/948394545.db2.gz IBCPASPEXFBVJY-UKRRQHHQSA-N 2 3 253.434 1.839 20 0 CDADHP F[C@H]1CCNC[C@]12CC[N@@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246698547 948409284 /nfs/dbraw/zinc/40/92/84/948409284.db2.gz YRTFNIYSJYPVBJ-XGHPGWEVSA-N 2 3 295.446 1.932 20 0 CDADHP F[C@H]1CCNC[C@]12CC[N@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246698547 948409286 /nfs/dbraw/zinc/40/92/86/948409286.db2.gz YRTFNIYSJYPVBJ-XGHPGWEVSA-N 2 3 295.446 1.932 20 0 CDADHP [NH3+]CC1CC([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC001553290603 964613115 /nfs/dbraw/zinc/61/31/15/964613115.db2.gz BEGMXOSVTNJEJO-AXVKAWJUSA-N 2 3 251.418 1.482 20 0 CDADHP [NH3+]CC1(c2ccccc2)CC(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001550943702 966295661 /nfs/dbraw/zinc/29/56/61/966295661.db2.gz GLVFQZFDWMVZLH-BOAJJUGWSA-N 2 3 285.435 1.918 20 0 CDADHP [NH3+]C[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)CC[C@@H]1C(F)(F)F ZINC000629565490 363010927 /nfs/dbraw/zinc/01/09/27/363010927.db2.gz VZFGVGKMGGOQSR-UPJWGTAASA-N 2 3 293.377 1.835 20 0 CDADHP [NH3+]CC1CCC([NH2+]Cc2ccc3c(c2)CNC3)CC1 ZINC000643523964 361055130 /nfs/dbraw/zinc/05/51/30/361055130.db2.gz QACOPVBHQJKTGL-UHFFFAOYSA-N 2 3 259.397 1.897 20 0 CDADHP [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc4c(c3)C[NH2+]CC4)C[C@@H]21 ZINC000564733502 361058000 /nfs/dbraw/zinc/05/80/00/361058000.db2.gz VGMKUQVHNJXVFJ-RYQLBKOJSA-N 2 3 285.435 1.892 20 0 CDADHP NC[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000420322178 244082450 /nfs/dbraw/zinc/08/24/50/244082450.db2.gz WGRXVOYOUGHYPK-OIISXLGYSA-N 2 3 273.424 1.660 20 0 CDADHP NC[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000420322178 244082452 /nfs/dbraw/zinc/08/24/52/244082452.db2.gz WGRXVOYOUGHYPK-OIISXLGYSA-N 2 3 273.424 1.660 20 0 CDADHP [NH3+]C[C@@H]1CN(CC[C@H]2CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000420322178 244082459 /nfs/dbraw/zinc/08/24/59/244082459.db2.gz WGRXVOYOUGHYPK-OIISXLGYSA-N 2 3 273.424 1.660 20 0 CDADHP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@H]1CCCCN1 ZINC000422740538 245200601 /nfs/dbraw/zinc/20/06/01/245200601.db2.gz MXICICDYKNMQFG-DOTOQJQBSA-N 2 3 296.503 1.380 20 0 CDADHP C[NH+]1CCC2(CCCN2C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261975145 392028293 /nfs/dbraw/zinc/02/82/93/392028293.db2.gz QRNZXUBZSXAGMB-CQSZACIVSA-N 2 3 251.418 1.546 20 0 CDADHP CC[NH+](CC)CCOCCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000423034139 392288556 /nfs/dbraw/zinc/28/85/56/392288556.db2.gz HHSIVUBQKMEYLY-KGLIPLIRSA-N 2 3 257.422 1.062 20 0 CDADHP C[C@H]1CCNCC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423164408 392404825 /nfs/dbraw/zinc/40/48/25/392404825.db2.gz OMHJONFYBWXQTO-ZFWWWQNUSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@H]1CCNCC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423164408 392404827 /nfs/dbraw/zinc/40/48/27/392404827.db2.gz OMHJONFYBWXQTO-ZFWWWQNUSA-N 2 3 253.434 1.839 20 0 CDADHP CCOCCC[N@@H+]1CC[C@H](NCC2=CC[NH2+]CC2)[C@H](C)C1 ZINC000423334833 392522548 /nfs/dbraw/zinc/52/25/48/392522548.db2.gz GAIORVDLPVYPQT-WBVHZDCISA-N 2 3 295.471 1.633 20 0 CDADHP CCOCCC[N@H+]1CC[C@H](NCC2=CC[NH2+]CC2)[C@H](C)C1 ZINC000423334833 392522557 /nfs/dbraw/zinc/52/25/57/392522557.db2.gz GAIORVDLPVYPQT-WBVHZDCISA-N 2 3 295.471 1.633 20 0 CDADHP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC1=CC[NH2+]CC1 ZINC000423361576 392541816 /nfs/dbraw/zinc/54/18/16/392541816.db2.gz XEMQTFUPUGOUHJ-ZFWWWQNUSA-N 2 3 251.418 1.807 20 0 CDADHP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc2c(c1)CNCC2 ZINC000656785721 413661269 /nfs/dbraw/zinc/66/12/69/413661269.db2.gz IWAMRCPVNOIVBI-ZDUSSCGKSA-N 2 3 261.413 1.939 20 0 CDADHP C[C@H](C[C@H](C)N)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665298915 414040955 /nfs/dbraw/zinc/04/09/55/414040955.db2.gz CFAWDGYZFBMIJR-QWHCGFSZSA-N 2 3 253.434 1.824 20 0 CDADHP C([C@@H]1CCC2(CNC2)O1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662292671 414618923 /nfs/dbraw/zinc/61/89/23/414618923.db2.gz HLIXFLRRQRUHFJ-HOTGVXAUSA-N 2 3 293.455 1.219 20 0 CDADHP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CC[C@]2(C1)CCCCN2 ZINC000904430238 626291398 /nfs/dbraw/zinc/29/13/98/626291398.db2.gz PUBPCJYVXDHRCN-UYTSQGDYSA-N 2 3 263.429 1.735 20 0 CDADHP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CC[C@]2(C1)CCCCN2 ZINC000904430238 626291400 /nfs/dbraw/zinc/29/14/00/626291400.db2.gz PUBPCJYVXDHRCN-UYTSQGDYSA-N 2 3 263.429 1.735 20 0 CDADHP CN1CCCC[C@H](C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000700827152 677837057 /nfs/dbraw/zinc/83/70/57/677837057.db2.gz RVWDKAHGMPHPLX-OAHLLOKOSA-N 2 3 253.434 1.650 20 0 CDADHP C[NH+](C)C1(C)CCC(N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000715558044 678437728 /nfs/dbraw/zinc/43/77/28/678437728.db2.gz MZTWYDRGOBEXGQ-BFKJDTTRSA-N 2 3 277.456 1.835 20 0 CDADHP CCN1CCC[C@H]1CNC(=[NH2+])NCC[N@@H+]1CCCC1(C)C ZINC000849039093 678632750 /nfs/dbraw/zinc/63/27/50/678632750.db2.gz HTCKURRTCQMRBR-AWEZNQCLSA-N 2 3 295.475 1.459 20 0 CDADHP CCN1CCC[C@H]1CNC(=[NH2+])NCC[N@H+]1CCCC1(C)C ZINC000849039093 678632757 /nfs/dbraw/zinc/63/27/57/678632757.db2.gz HTCKURRTCQMRBR-AWEZNQCLSA-N 2 3 295.475 1.459 20 0 CDADHP [NH3+]CCC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000309977230 678927787 /nfs/dbraw/zinc/92/77/87/678927787.db2.gz RYTMQUCVGKTKHA-IRXDYDNUSA-N 2 3 273.424 1.789 20 0 CDADHP [NH3+]CCC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000309977230 678927790 /nfs/dbraw/zinc/92/77/90/678927790.db2.gz RYTMQUCVGKTKHA-IRXDYDNUSA-N 2 3 273.424 1.789 20 0 CDADHP C[NH+](C)CC1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169140420 927732186 /nfs/dbraw/zinc/73/21/86/927732186.db2.gz KAJQGIZPUYNQDT-ZSHCYNCHSA-N 2 3 265.445 1.885 20 0 CDADHP C[NH+](C)CC1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169140420 927732193 /nfs/dbraw/zinc/73/21/93/927732193.db2.gz KAJQGIZPUYNQDT-ZSHCYNCHSA-N 2 3 265.445 1.885 20 0 CDADHP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)CCN1 ZINC001246072111 930904865 /nfs/dbraw/zinc/90/48/65/930904865.db2.gz FKIGBNULCXQBKT-KBPBESRZSA-N 2 3 253.434 1.742 20 0 CDADHP CCC1(N2CCC2)CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000886859913 930977431 /nfs/dbraw/zinc/97/74/31/930977431.db2.gz KCENHHNBYWJKQS-HNNXBMFYSA-N 2 3 265.445 1.936 20 0 CDADHP [NH3+]CCCC[NH2+]CCCN[C@H]1Cc2cccc(F)c2C1 ZINC001246457678 931499146 /nfs/dbraw/zinc/49/91/46/931499146.db2.gz QBKLKPGXRGSEAS-AWEZNQCLSA-N 2 3 279.403 1.601 20 0 CDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N(C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161060472 938867312 /nfs/dbraw/zinc/86/73/12/938867312.db2.gz BPGBLGIVUFZFFA-KKUMJFAQSA-N 2 3 298.475 1.210 20 0 CDADHP CN1CC2(C1)CC[NH+](CC1CC[NH+](C)CC1)CC2 ZINC001207399828 940189885 /nfs/dbraw/zinc/18/98/85/940189885.db2.gz VKUDZHXNTURLOL-UHFFFAOYSA-N 2 3 251.418 1.356 20 0 CDADHP C(C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1)[C@H]1CNCCO1 ZINC001222161952 941570665 /nfs/dbraw/zinc/57/06/65/941570665.db2.gz UHCKSRSIQURGJH-DLBZAZTESA-N 2 3 295.471 1.611 20 0 CDADHP C(C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1)[C@H]1CNCCO1 ZINC001222161952 941570669 /nfs/dbraw/zinc/57/06/69/941570669.db2.gz UHCKSRSIQURGJH-DLBZAZTESA-N 2 3 295.471 1.611 20 0 CDADHP c1ccc2c(c1)C[NH2+]CC21CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC001235092532 944050838 /nfs/dbraw/zinc/05/08/38/944050838.db2.gz JEGHXRFXXJPAEV-OAHLLOKOSA-N 2 3 285.435 1.733 20 0 CDADHP C(C[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1)[C@H]1CNCCO1 ZINC001235153447 944073035 /nfs/dbraw/zinc/07/30/35/944073035.db2.gz SGJYAODHLATKIO-HOTGVXAUSA-N 2 3 281.444 1.219 20 0 CDADHP C(C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1)[C@H]1CNCCO1 ZINC001235153447 944073044 /nfs/dbraw/zinc/07/30/44/944073044.db2.gz SGJYAODHLATKIO-HOTGVXAUSA-N 2 3 281.444 1.219 20 0 CDADHP CC(C)[N@H+](CCN)Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001235947651 944327683 /nfs/dbraw/zinc/32/76/83/944327683.db2.gz LWKALFZTHCVGFN-UHFFFAOYSA-N 2 3 290.455 1.261 20 0 CDADHP CC(C)[N@@H+](CCN)Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001235947651 944327688 /nfs/dbraw/zinc/32/76/88/944327688.db2.gz LWKALFZTHCVGFN-UHFFFAOYSA-N 2 3 290.455 1.261 20 0 CDADHP C[C@H]1CCN(C[C@H](O)C[NH2+]C(C)(C)C)CC[C@H]1C[NH3+] ZINC001246017481 947896977 /nfs/dbraw/zinc/89/69/77/947896977.db2.gz AWNKTSPOWYPHMC-MELADBBJSA-N 2 3 271.449 1.042 20 0 CDADHP C[C@H]1CC[N@H+](C[C@H](O)CNC(C)(C)C)CC[C@H]1C[NH3+] ZINC001246017481 947896989 /nfs/dbraw/zinc/89/69/89/947896989.db2.gz AWNKTSPOWYPHMC-MELADBBJSA-N 2 3 271.449 1.042 20 0 CDADHP C[C@H]1CC[N@@H+](C[C@H](O)CNC(C)(C)C)CC[C@H]1C[NH3+] ZINC001246017481 947896997 /nfs/dbraw/zinc/89/69/97/947896997.db2.gz AWNKTSPOWYPHMC-MELADBBJSA-N 2 3 271.449 1.042 20 0 CDADHP C1C[NH2+]CC2(C1)CCC([NH2+]C1CCNCC1)CC2 ZINC001246080329 947931851 /nfs/dbraw/zinc/93/18/51/947931851.db2.gz QQCDTUAWUSTGJL-UHFFFAOYSA-N 2 3 251.418 1.640 20 0 CDADHP CC[C@@H]1C[C@@H]([NH2+]CC2CC3(C2)CC[NH2+]CC3)CCN1 ZINC001246127912 947975920 /nfs/dbraw/zinc/97/59/20/947975920.db2.gz RNTBJPGXAHIQGH-CABCVRRESA-N 2 3 265.445 1.886 20 0 CDADHP CC[C@@H]1CC(NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)C[C@@H](CC)[NH2+]1 ZINC001246154697 947995370 /nfs/dbraw/zinc/99/53/70/947995370.db2.gz BVPJUSNSVSCXOS-BBOXDSQKSA-N 2 3 295.471 1.510 20 0 CDADHP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC[C@@H](C[NH3+])C2)CCN1 ZINC001246458193 948184710 /nfs/dbraw/zinc/18/47/10/948184710.db2.gz TZOHOIHZADPUMA-RDBSUJKOSA-N 2 3 253.434 1.872 20 0 CDADHP C[C@H]1C[C@H]([N@@H+]2CCCC3(CC[NH2+]CC3)C2)CCN1 ZINC001246524879 948226323 /nfs/dbraw/zinc/22/63/23/948226323.db2.gz UDNOBFZINZWOIH-UONOGXRCSA-N 2 3 251.418 1.593 20 0 CDADHP C[C@H]1C[C@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)CCN1 ZINC001246524879 948226329 /nfs/dbraw/zinc/22/63/29/948226329.db2.gz UDNOBFZINZWOIH-UONOGXRCSA-N 2 3 251.418 1.593 20 0 CDADHP C[C@@H]1C[N@@H+]([C@H]2CCNC3(CCC3)C2)CCC[C@@H]1C[NH3+] ZINC001246567939 948286838 /nfs/dbraw/zinc/28/68/38/948286838.db2.gz NFEHBWIAQYXOBJ-KFWWJZLASA-N 2 3 265.445 1.968 20 0 CDADHP C[C@@H]1C[N@H+]([C@H]2CCNC3(CCC3)C2)CCC[C@@H]1C[NH3+] ZINC001246567939 948286844 /nfs/dbraw/zinc/28/68/44/948286844.db2.gz NFEHBWIAQYXOBJ-KFWWJZLASA-N 2 3 265.445 1.968 20 0 CDADHP C1C[C@H]2CN(C3CCC4(CC[NH2+]CC4)CC3)C[C@H]2[NH2+]1 ZINC001246652390 948388424 /nfs/dbraw/zinc/38/84/24/948388424.db2.gz OMXPTDGCIXCKOZ-DZGCQCFKSA-N 2 3 263.429 1.593 20 0 CDADHP C1[C@@H]2CCNC[C@@H]2C[N@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246848869 948476267 /nfs/dbraw/zinc/47/62/67/948476267.db2.gz XBOCCQYXXYFOAI-NJINODPHSA-N 2 3 277.456 1.840 20 0 CDADHP C1[C@@H]2CCNC[C@@H]2C[N@@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246848869 948476264 /nfs/dbraw/zinc/47/62/64/948476264.db2.gz XBOCCQYXXYFOAI-NJINODPHSA-N 2 3 277.456 1.840 20 0 CDADHP C1CC2(CC[NH2+]1)CCC([NH+]1CCCNCCC1)CC2 ZINC001246905401 948511756 /nfs/dbraw/zinc/51/17/56/948511756.db2.gz NUJZIMQYDDZLFL-UHFFFAOYSA-N 2 3 265.445 1.984 20 0 CDADHP CC(C)C[NH+]1CCC(N2CCN(CCCC[NH3+])CC2)CC1 ZINC001258008965 948679143 /nfs/dbraw/zinc/67/91/43/948679143.db2.gz MFJIVCGHDOXEFJ-UHFFFAOYSA-N 2 3 296.503 1.463 20 0 CDADHP C[C@@H]1C[C@H](CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000629655226 363259671 /nfs/dbraw/zinc/25/96/71/363259671.db2.gz UMCDLBXYMWRXTP-LPWJVIDDSA-N 2 3 293.377 1.834 20 0 CDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000423167185 359754796 /nfs/dbraw/zinc/75/47/96/359754796.db2.gz DSFNHZVDVINVBQ-ILXRZTDVSA-N 2 3 253.434 1.696 20 0 CDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000423167185 359754800 /nfs/dbraw/zinc/75/48/00/359754800.db2.gz DSFNHZVDVINVBQ-ILXRZTDVSA-N 2 3 253.434 1.696 20 0 CDADHP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CCCNC2)CC1 ZINC000346816843 391373306 /nfs/dbraw/zinc/37/33/06/391373306.db2.gz BANMZWYRFRZKTK-ZBFHGGJFSA-N 2 3 283.460 1.011 20 0 CDADHP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H]2CCCNC2)CC1 ZINC000346816843 391373310 /nfs/dbraw/zinc/37/33/10/391373310.db2.gz BANMZWYRFRZKTK-ZBFHGGJFSA-N 2 3 283.460 1.011 20 0 CDADHP C[C@H]([NH3+])[C@H]1CCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662265709 414600122 /nfs/dbraw/zinc/60/01/22/414600122.db2.gz IAJMBQBNAAGLGK-JSGCOSHPSA-N 2 3 259.397 1.501 20 0 CDADHP CCN(CC)CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401133656 424427678 /nfs/dbraw/zinc/42/76/78/424427678.db2.gz PIIRNPXBOUKPJU-RBSFLKMASA-N 2 3 253.434 1.696 20 0 CDADHP CSC1(C[NH2+][C@@H]2CCC[C@H](N)C2)CC[NH+](C)CC1 ZINC000568651394 294078562 /nfs/dbraw/zinc/07/85/62/294078562.db2.gz SDEUSVGAWZYAFR-QWHCGFSZSA-N 2 3 271.474 1.673 20 0 CDADHP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925622878 617569629 /nfs/dbraw/zinc/56/96/29/617569629.db2.gz NLJJZHHXNHRNDB-JKSUJKDBSA-N 2 3 295.471 1.201 20 0 CDADHP CC(C)(C)[C@@H](C[NH3+])NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903752255 626073879 /nfs/dbraw/zinc/07/38/79/626073879.db2.gz LRXCYAPBHCHIQH-CHWSQXEVSA-N 2 3 269.433 1.108 20 0 CDADHP CC1(C)CCNCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903778580 626090776 /nfs/dbraw/zinc/09/07/76/626090776.db2.gz OJLKDQVCNIERNP-AWEZNQCLSA-N 2 3 281.444 1.219 20 0 CDADHP CC1(C)CCNCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903778580 626090777 /nfs/dbraw/zinc/09/07/77/626090777.db2.gz OJLKDQVCNIERNP-AWEZNQCLSA-N 2 3 281.444 1.219 20 0 CDADHP C[NH+]1CCC(C)(C[NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925631759 679854213 /nfs/dbraw/zinc/85/42/13/679854213.db2.gz JONJXUGBLWAJGG-ZDUSSCGKSA-N 2 3 251.418 1.593 20 0 CDADHP C[NH+]1CCC(C[NH2+]CCCN2CCCCC2)CC1 ZINC000054240189 681813072 /nfs/dbraw/zinc/81/30/72/681813072.db2.gz KPBZRYQMKKFZIT-UHFFFAOYSA-N 2 3 253.434 1.794 20 0 CDADHP C([C@H]1CC[NH2+]C1)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923509354 683587271 /nfs/dbraw/zinc/58/72/71/683587271.db2.gz QISRBQWYZZKJLH-GJZGRUSLSA-N 2 3 265.445 1.698 20 0 CDADHP [NH3+]C1CC(C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925729788 684001322 /nfs/dbraw/zinc/00/13/22/684001322.db2.gz MBWTWJNIEQSLQX-AXVKAWJUSA-N 2 3 251.418 1.482 20 0 CDADHP CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1C[NH3+])C2 ZINC001169108103 927757215 /nfs/dbraw/zinc/75/72/15/927757215.db2.gz ORFXWHBNRKQKAS-MUJYYYPQSA-N 2 3 259.397 1.860 20 0 CDADHP C1CC2(C[C@H]1N[C@H]1CCCC[NH2+]C1)CC[NH2+]CC2 ZINC001246094154 930976134 /nfs/dbraw/zinc/97/61/34/930976134.db2.gz ZOKZJFHYLWOMEP-KBPBESRZSA-N 2 3 251.418 1.640 20 0 CDADHP c1cc2n(c1C[NH+]1CCC([C@H]3CCC[NH2+]3)CC1)CCNC2 ZINC001235883745 944310230 /nfs/dbraw/zinc/31/02/30/944310230.db2.gz MRBNNQYSHMIEFQ-QGZVFWFLSA-N 2 3 288.439 1.555 20 0 CDADHP [NH3+][C@@H]1CC[C@H]2CN(Cc3cc4c(s3)C[NH2+]CC4)C[C@H]12 ZINC001236828219 944584416 /nfs/dbraw/zinc/58/44/16/944584416.db2.gz HKPMKLOFKGMFRI-FPMFFAJLSA-N 2 3 277.437 1.563 20 0 CDADHP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC3(CC[NH2+]CC3)C2)CCN1 ZINC001246256704 948059624 /nfs/dbraw/zinc/05/96/24/948059624.db2.gz PSNKSUHUJLUBQZ-MGPQQGTHSA-N 2 3 267.417 1.018 20 0 CDADHP C[C@@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCN1 ZINC001246342381 948117766 /nfs/dbraw/zinc/11/77/66/948117766.db2.gz ONFXGRVUCWVEOT-UKRRQHHQSA-N 2 3 274.412 1.781 20 0 CDADHP C[C@H]1C[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1CN ZINC001246544154 948250478 /nfs/dbraw/zinc/25/04/78/948250478.db2.gz VZUQCYJYBMNERP-BFHYXJOUSA-N 2 3 251.418 1.435 20 0 CDADHP C[C@H]1C[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1CN ZINC001246544154 948250484 /nfs/dbraw/zinc/25/04/84/948250484.db2.gz VZUQCYJYBMNERP-BFHYXJOUSA-N 2 3 251.418 1.435 20 0 CDADHP [NH3+]C[C@]1(F)CCCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246553342 948260122 /nfs/dbraw/zinc/26/01/22/948260122.db2.gz XZPDHMCCOMMCJA-CRWXNKLISA-N 2 3 255.381 1.422 20 0 CDADHP C[N@@H+]1CCC[C@H](CNCc2cc3c(s2)CC[NH2+]C3)C1 ZINC001578529493 1171944325 /nfs/dbraw/zinc/94/43/25/1171944325.db2.gz WEEGEBRSVQQPMG-GFCCVEGCSA-N 2 3 279.453 1.825 20 0 CDADHP C[N@H+]1CCC[C@H](CNCc2cc3c(s2)CC[NH2+]C3)C1 ZINC001578529493 1171944331 /nfs/dbraw/zinc/94/43/31/1171944331.db2.gz WEEGEBRSVQQPMG-GFCCVEGCSA-N 2 3 279.453 1.825 20 0 CDADHP [NH3+][C@H]1C[C@@H](NCC2CC[NH+](CCO)CC2)c2ccccc21 ZINC000422981375 359696377 /nfs/dbraw/zinc/69/63/77/359696377.db2.gz SLNBDWOKLIBWDS-DLBZAZTESA-N 2 3 289.423 1.425 20 0 CDADHP C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000422883733 245368755 /nfs/dbraw/zinc/36/87/55/245368755.db2.gz QYVMOCRUDZQXDX-LTIDMASMSA-N 2 3 297.487 1.840 20 0 CDADHP C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000422883733 245368758 /nfs/dbraw/zinc/36/87/58/245368758.db2.gz QYVMOCRUDZQXDX-LTIDMASMSA-N 2 3 297.487 1.840 20 0 CDADHP C[N@@H+]1CCC[C@H](N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000649414618 392201927 /nfs/dbraw/zinc/20/19/27/392201927.db2.gz MOXANCUPSDNZIR-IRXDYDNUSA-N 2 3 294.487 1.088 20 0 CDADHP C[N@H+]1CCC[C@H](N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000649414618 392201929 /nfs/dbraw/zinc/20/19/29/392201929.db2.gz MOXANCUPSDNZIR-IRXDYDNUSA-N 2 3 294.487 1.088 20 0 CDADHP C(C[C@@H]1CC[NH2+]C1)[NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000423243029 392465344 /nfs/dbraw/zinc/46/53/44/392465344.db2.gz GCFADUUNIOKDBN-JONQDZQNSA-N 2 3 265.445 1.886 20 0 CDADHP C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423167395 287030172 /nfs/dbraw/zinc/03/01/72/287030172.db2.gz FAVORTUMQOAKAT-RBSFLKMASA-N 2 3 253.434 1.839 20 0 CDADHP C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423167395 287030173 /nfs/dbraw/zinc/03/01/73/287030173.db2.gz FAVORTUMQOAKAT-RBSFLKMASA-N 2 3 253.434 1.839 20 0 CDADHP NC[C@]12CCC[C@H]1C[N@H+](CCCC1CC[NH2+]CC1)C2 ZINC000652352787 424282675 /nfs/dbraw/zinc/28/26/75/424282675.db2.gz WYJYEYSKDLCGMO-HOTGVXAUSA-N 2 3 265.445 1.827 20 0 CDADHP NC[C@]12CCC[C@H]1C[N@@H+](CCCC1CC[NH2+]CC1)C2 ZINC000652352787 424282680 /nfs/dbraw/zinc/28/26/80/424282680.db2.gz WYJYEYSKDLCGMO-HOTGVXAUSA-N 2 3 265.445 1.827 20 0 CDADHP NC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000568499404 294045880 /nfs/dbraw/zinc/04/58/80/294045880.db2.gz UHZZPVRCJDUNLB-HLLBOEOZSA-N 2 3 287.407 1.569 20 0 CDADHP C[NH+](C)CCOCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000234263569 521794275 /nfs/dbraw/zinc/79/42/75/521794275.db2.gz OYRJQORPBHZWIZ-HRCADAONSA-N 2 3 283.460 1.465 20 0 CDADHP CCN1CCC[C@@H](C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000892743883 617692725 /nfs/dbraw/zinc/69/27/25/617692725.db2.gz UQBHXARIZUQDJB-HNNXBMFYSA-N 2 3 253.434 1.650 20 0 CDADHP CN(C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCC[NH2+]CC1 ZINC000903746166 626070860 /nfs/dbraw/zinc/07/08/60/626070860.db2.gz VVWCSGGDZBASQI-LSDHHAIUSA-N 2 3 281.444 1.219 20 0 CDADHP CC[C@@H]1CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[C@H]1[NH3+] ZINC000903747003 626071262 /nfs/dbraw/zinc/07/12/62/626071262.db2.gz NGSSRXMFQVOVQX-QLFBSQMISA-N 2 3 281.444 1.204 20 0 CDADHP CC[N@@H+]1CC[C@H](N(C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@H](C)C1 ZINC000903739041 626077616 /nfs/dbraw/zinc/07/76/16/626077616.db2.gz BFPXZBXYCAAPBR-LTIDMASMSA-N 2 3 295.471 1.417 20 0 CDADHP CC[N@H+]1CC[C@H](N(C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@H](C)C1 ZINC000903739041 626077618 /nfs/dbraw/zinc/07/76/18/626077618.db2.gz BFPXZBXYCAAPBR-LTIDMASMSA-N 2 3 295.471 1.417 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C[C@H]3CCCC[NH2+]C3)C2)C1 ZINC000903763491 626083000 /nfs/dbraw/zinc/08/30/00/626083000.db2.gz KSANKUVJECXPRG-NXOAAHMSSA-N 2 3 295.471 1.594 20 0 CDADHP CC(C)(C)[C@]1(CN)CC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903778501 626091008 /nfs/dbraw/zinc/09/10/08/626091008.db2.gz NQZQIMUWENUPED-PVAVHDDUSA-N 2 3 295.471 1.452 20 0 CDADHP CC(C)(C)[C@]1(CN)CC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903778501 626091010 /nfs/dbraw/zinc/09/10/10/626091010.db2.gz NQZQIMUWENUPED-PVAVHDDUSA-N 2 3 295.471 1.452 20 0 CDADHP C[C@]1(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCCNC1 ZINC000904349608 626261351 /nfs/dbraw/zinc/26/13/51/626261351.db2.gz BJIPPERCYPQQEF-XHSDSOJGSA-N 2 3 265.445 1.698 20 0 CDADHP C[C@]1(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCCNC1 ZINC000904349608 626261354 /nfs/dbraw/zinc/26/13/54/626261354.db2.gz BJIPPERCYPQQEF-XHSDSOJGSA-N 2 3 265.445 1.698 20 0 CDADHP CCC[NH+]1CCC(C[NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925492793 685468952 /nfs/dbraw/zinc/46/89/52/685468952.db2.gz INIHNMNNHBUBOC-HNNXBMFYSA-N 2 3 265.445 1.983 20 0 CDADHP [NH3+][C@@H]1CCC[C@H]2CN(Cc3cc4c(s3)CC[NH2+]C4)C[C@@H]21 ZINC000873200498 687367213 /nfs/dbraw/zinc/36/72/13/687367213.db2.gz BHNWVXWTHKQEHR-TUKIKUTGSA-N 2 3 291.464 1.953 20 0 CDADHP CCC[N@H+]1C[C@H]2CN(CC3(C)CC[NH+](C)CC3)C[C@H]2C1 ZINC001208112143 894030161 /nfs/dbraw/zinc/03/01/61/894030161.db2.gz RQFHFCRTWRQHTI-IYBDPMFKSA-N 2 3 279.472 1.992 20 0 CDADHP CCC[N@@H+]1C[C@H]2CN(CC3(C)CC[NH+](C)CC3)C[C@H]2C1 ZINC001208112143 894030180 /nfs/dbraw/zinc/03/01/80/894030180.db2.gz RQFHFCRTWRQHTI-IYBDPMFKSA-N 2 3 279.472 1.992 20 0 CDADHP C([NH2+]C1CCC(N2CCOCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001246199228 931194333 /nfs/dbraw/zinc/19/43/33/931194333.db2.gz KYLIIZCPAGNWHV-QQFBHYJXSA-N 2 3 281.444 1.219 20 0 CDADHP C[C@@H]1C[C@H]([N@@H+]2CCCC3(CC[NH2+]CC3)C2)CCN1 ZINC001246524880 931577476 /nfs/dbraw/zinc/57/74/76/931577476.db2.gz UDNOBFZINZWOIH-ZIAGYGMSSA-N 2 3 251.418 1.593 20 0 CDADHP C[C@@H]1C[C@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)CCN1 ZINC001246524880 931577479 /nfs/dbraw/zinc/57/74/79/931577479.db2.gz UDNOBFZINZWOIH-ZIAGYGMSSA-N 2 3 251.418 1.593 20 0 CDADHP C[NH+]1CCC(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC001120017765 937774047 /nfs/dbraw/zinc/77/40/47/937774047.db2.gz HUMMRCXIENXARM-QGZVFWFLSA-N 2 3 294.487 1.040 20 0 CDADHP C[NH+]1CCC(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC001120017765 937774050 /nfs/dbraw/zinc/77/40/50/937774050.db2.gz HUMMRCXIENXARM-QGZVFWFLSA-N 2 3 294.487 1.040 20 0 CDADHP [NH3+]C1CCN(c2cccc(NCC[C@H]3CCC[NH2+]3)n2)CC1 ZINC001158626856 938643429 /nfs/dbraw/zinc/64/34/29/938643429.db2.gz GEWZCGVGIKINGL-CQSZACIVSA-N 2 3 289.427 1.563 20 0 CDADHP CC(C)P(CCNC(=O)[C@@H]([NH3+])CCCC[NH3+])C(C)C ZINC001221254143 941508466 /nfs/dbraw/zinc/50/84/66/941508466.db2.gz GJHZOVALYSMIKL-ZDUSSCGKSA-N 2 3 289.404 1.858 20 0 CDADHP c1cc2n(c1CN1CCC[C@@]13CCC[NH2+]CC3)CC[NH2+]C2 ZINC001222314490 941582660 /nfs/dbraw/zinc/58/26/60/941582660.db2.gz GUFOIQMNDTZAEG-QGZVFWFLSA-N 2 3 288.439 1.699 20 0 CDADHP CCCC[C@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)CCN1 ZINC001246072731 947925389 /nfs/dbraw/zinc/92/53/89/947925389.db2.gz KQVQQFZNBKRGQB-LSDHHAIUSA-N 2 3 253.434 1.886 20 0 CDADHP C1CC2(C[NH2+]1)CCC(N[C@H]1CCCC[NH2+]C1)CC2 ZINC001246093147 947943634 /nfs/dbraw/zinc/94/36/34/947943634.db2.gz VLYFGIREUKAZKK-SLTAFYQDSA-N 2 3 251.418 1.640 20 0 CDADHP C[C@@]1([NH2+]C2CCC3(CC[NH2+]CC3)CC2)CCNC1 ZINC001246096516 947946971 /nfs/dbraw/zinc/94/69/71/947946971.db2.gz KBFVQLOPZQVZID-CQSZACIVSA-N 2 3 251.418 1.640 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H](C[NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001246101369 947951403 /nfs/dbraw/zinc/95/14/03/947951403.db2.gz PPJMDRZQWXEEMA-JUVOFCAFSA-N 2 3 295.471 1.465 20 0 CDADHP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001246109779 947961356 /nfs/dbraw/zinc/96/13/56/947961356.db2.gz KVNQWMIYWGYDSM-XFIYOXNOSA-N 2 3 265.445 1.979 20 0 CDADHP C[C@H]1CNC[C@H]1[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246115901 947967763 /nfs/dbraw/zinc/96/77/63/947967763.db2.gz KINOLSZSZAVYEF-FGZQJIAISA-N 2 3 251.418 1.496 20 0 CDADHP CC1(C)C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCN1 ZINC001246204878 948026945 /nfs/dbraw/zinc/02/69/45/948026945.db2.gz HYWXZKJEUIVOPG-MGPQQGTHSA-N 2 3 253.434 1.872 20 0 CDADHP CC1(C)CNCC[C@H]1[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246375218 948143561 /nfs/dbraw/zinc/14/35/61/948143561.db2.gz XAPUYAGGRHHGTB-NPCAHTBFSA-N 2 3 265.445 1.886 20 0 CDADHP Cc1cc(F)ccc1[C@@H]1C[C@H](NCCNCC[NH3+])CC[NH2+]1 ZINC001246403359 948156504 /nfs/dbraw/zinc/15/65/04/948156504.db2.gz FEBJGFZRBRCNLX-ZBFHGGJFSA-N 2 3 294.418 1.065 20 0 CDADHP C[C@]1(CN[C@H]2CCC[C@]3(CC[NH2+]C3)C2)CCC[NH2+]1 ZINC001246457842 948185051 /nfs/dbraw/zinc/18/50/51/948185051.db2.gz VOQVSWJCAAFEOS-ZNMIVQPWSA-N 2 3 251.418 1.640 20 0 CDADHP NC[C@H]1CCCC[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246591933 948324904 /nfs/dbraw/zinc/32/49/04/948324904.db2.gz JWWDFKMBINKXDV-HUUCEWRRSA-N 2 3 265.445 1.970 20 0 CDADHP NC[C@H]1CCCC[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246591933 948324912 /nfs/dbraw/zinc/32/49/12/948324912.db2.gz JWWDFKMBINKXDV-HUUCEWRRSA-N 2 3 265.445 1.970 20 0 CDADHP C1N([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CC12CCC[NH2+]C2 ZINC001246606149 948341631 /nfs/dbraw/zinc/34/16/31/948341631.db2.gz MIRMWUHAQVNAEV-CABCVRRESA-N 2 3 263.429 1.594 20 0 CDADHP C1[NH2+]CC12CC[C@@H]([N@@H+]1CCCC[C@@]13CCCNC3)C2 ZINC001246649285 948386682 /nfs/dbraw/zinc/38/66/82/948386682.db2.gz BHPCHMSRGHOQAQ-ZBFHGGJFSA-N 2 3 263.429 1.737 20 0 CDADHP C1[NH2+]CC12CC[C@@H]([N@H+]1CCCC[C@@]13CCCNC3)C2 ZINC001246649285 948386688 /nfs/dbraw/zinc/38/66/88/948386688.db2.gz BHPCHMSRGHOQAQ-ZBFHGGJFSA-N 2 3 263.429 1.737 20 0 CDADHP C[C@@H]1C[C@H]([NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)CCN1 ZINC001246658077 948391941 /nfs/dbraw/zinc/39/19/41/948391941.db2.gz TWZRGZZWUZMMRV-BMFZPTHFSA-N 2 3 265.445 1.981 20 0 CDADHP C[C@@H]1C[C@H](N2CCC([C@@H]3CCCC[NH2+]3)CC2)CC[NH2+]1 ZINC001246658077 948391946 /nfs/dbraw/zinc/39/19/46/948391946.db2.gz TWZRGZZWUZMMRV-BMFZPTHFSA-N 2 3 265.445 1.981 20 0 CDADHP C[NH2+]C1CCC([N@@H+]2C[C@@H]3CNC[C@]3(C(F)(F)F)C2)CC1 ZINC001246659836 948392980 /nfs/dbraw/zinc/39/29/80/948392980.db2.gz YHUWSBULEFNEDX-WTIISPKJSA-N 2 3 291.361 1.601 20 0 CDADHP C[NH2+]C1CCC([N@H+]2C[C@@H]3CNC[C@]3(C(F)(F)F)C2)CC1 ZINC001246659836 948392986 /nfs/dbraw/zinc/39/29/86/948392986.db2.gz YHUWSBULEFNEDX-WTIISPKJSA-N 2 3 291.361 1.601 20 0 CDADHP C[N@H+](CCC1CC[NH2+]CC1)[C@H]1CCNC2(CCC2)C1 ZINC001246798859 948446446 /nfs/dbraw/zinc/44/64/46/948446446.db2.gz SVBBATMCSHFKAX-HNNXBMFYSA-N 2 3 265.445 1.983 20 0 CDADHP C[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCNC2(CCC2)C1 ZINC001246798859 948446453 /nfs/dbraw/zinc/44/64/53/948446453.db2.gz SVBBATMCSHFKAX-HNNXBMFYSA-N 2 3 265.445 1.983 20 0 CDADHP C[C@@H]1C[C@@H](N2CCC([C@H]3CCC[NH2+]3)CC2)C[C@H](C)[NH2+]1 ZINC001246830814 948464722 /nfs/dbraw/zinc/46/47/22/948464722.db2.gz IKWRVGQNLWVPIO-OCVGTWLNSA-N 2 3 265.445 1.979 20 0 CDADHP C[N@H+](C[C@@H]1CCCNC1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246840601 948468926 /nfs/dbraw/zinc/46/89/26/948468926.db2.gz IXBDWIKLBHOART-BZUAXINKSA-N 2 3 265.445 1.840 20 0 CDADHP C[N@@H+](C[C@@H]1CCCNC1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246840601 948468932 /nfs/dbraw/zinc/46/89/32/948468932.db2.gz IXBDWIKLBHOART-BZUAXINKSA-N 2 3 265.445 1.840 20 0 CDADHP C[NH+](C)C1CCC([NH2+]C[C@H](O)CNC(C)(C)C)CC1 ZINC001253406488 951889819 /nfs/dbraw/zinc/88/98/19/951889819.db2.gz NHGWTOGVSVJQCI-RUXDESIVSA-N 2 3 271.449 1.198 20 0 CDADHP [NH3+]C[C@@H]1CN(CCC2CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC000629560977 363008033 /nfs/dbraw/zinc/00/80/33/363008033.db2.gz GHWQZSKIZBMIQY-CHWSQXEVSA-N 2 3 293.377 1.835 20 0 CDADHP C[C@@H]1C[C@@H](C[NH2+][C@H]2CCNCC(C)(C)C2)CC[NH2+]1 ZINC000634733381 358072008 /nfs/dbraw/zinc/07/20/08/358072008.db2.gz DONXLDCQJOFRGB-RDBSUJKOSA-N 2 3 253.434 1.742 20 0 CDADHP CCO[C@H](CC[NH+](C)C)CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422867273 359666038 /nfs/dbraw/zinc/66/60/38/359666038.db2.gz RXFNCNQNZUJADJ-ILXRZTDVSA-N 2 3 271.449 1.593 20 0 CDADHP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000348188482 359898662 /nfs/dbraw/zinc/89/86/62/359898662.db2.gz LOMHSNJNPJSIRS-SJORKVTESA-N 2 3 297.487 1.903 20 0 CDADHP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000348188482 359898664 /nfs/dbraw/zinc/89/86/64/359898664.db2.gz LOMHSNJNPJSIRS-SJORKVTESA-N 2 3 297.487 1.903 20 0 CDADHP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000635003189 360646118 /nfs/dbraw/zinc/64/61/18/360646118.db2.gz AKUYNJZMYAOHRZ-TUVASFSCSA-N 2 3 251.418 1.720 20 0 CDADHP CN(CC[C@H]1CC[NH2+]C1)CC[C@@H]1CCCC[N@@H+]1C ZINC000420324866 244088787 /nfs/dbraw/zinc/08/87/87/244088787.db2.gz VMKDMQQGXYLHOF-CABCVRRESA-N 2 3 253.434 1.792 20 0 CDADHP CN(CC[C@H]1CC[NH2+]C1)CC[C@@H]1CCCC[N@H+]1C ZINC000420324866 244088792 /nfs/dbraw/zinc/08/87/92/244088792.db2.gz VMKDMQQGXYLHOF-CABCVRRESA-N 2 3 253.434 1.792 20 0 CDADHP [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc4c(c3)C[NH2+]CC4)C[C@H]21 ZINC000564733500 370249891 /nfs/dbraw/zinc/24/98/91/370249891.db2.gz VGMKUQVHNJXVFJ-CGTJXYLNSA-N 2 3 285.435 1.892 20 0 CDADHP CCCN1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647793305 391631504 /nfs/dbraw/zinc/63/15/04/391631504.db2.gz SVTPQASWRKFHGO-LVQVYYBASA-N 2 3 265.445 1.696 20 0 CDADHP NCC[C@H]1CCCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647964779 391909976 /nfs/dbraw/zinc/90/99/76/391909976.db2.gz CQUUSWMDZWEZLD-OAHLLOKOSA-N 2 3 253.434 1.970 20 0 CDADHP NCC[C@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647964779 391909980 /nfs/dbraw/zinc/90/99/80/391909980.db2.gz CQUUSWMDZWEZLD-OAHLLOKOSA-N 2 3 253.434 1.970 20 0 CDADHP [NH3+]CC[C@H]1CCCCN1CCCC1CC[NH2+]CC1 ZINC000647964779 391909984 /nfs/dbraw/zinc/90/99/84/391909984.db2.gz CQUUSWMDZWEZLD-OAHLLOKOSA-N 2 3 253.434 1.970 20 0 CDADHP C[C@H](C[C@H](C)[NH3+])NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000423038750 392292967 /nfs/dbraw/zinc/29/29/67/392292967.db2.gz ZIHBDBRQQZCXAY-JJRVBVJISA-N 2 3 291.439 1.469 20 0 CDADHP C[C@H](C[C@H](C)[NH3+])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000423038750 392292970 /nfs/dbraw/zinc/29/29/70/392292970.db2.gz ZIHBDBRQQZCXAY-JJRVBVJISA-N 2 3 291.439 1.469 20 0 CDADHP CC[NH+](CC)CCO[C@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261658818 140370914 /nfs/dbraw/zinc/37/09/14/140370914.db2.gz BMLIRJRCAOFPQS-HOTGVXAUSA-N 2 3 283.460 1.419 20 0 CDADHP C[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)[C@@H]1CCCC[NH2+]1 ZINC000422982878 278343540 /nfs/dbraw/zinc/34/35/40/278343540.db2.gz XXOYUJCQBMHYOK-OAGGEKHMSA-N 2 3 283.460 1.344 20 0 CDADHP C[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1CCCC[NH2+]1 ZINC000422982878 278343541 /nfs/dbraw/zinc/34/35/41/278343541.db2.gz XXOYUJCQBMHYOK-OAGGEKHMSA-N 2 3 283.460 1.344 20 0 CDADHP CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422710421 535718906 /nfs/dbraw/zinc/71/89/06/535718906.db2.gz FPXKKEJMTXZBAS-BRWVUGGUSA-N 2 3 296.503 1.238 20 0 CDADHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000903463705 625996243 /nfs/dbraw/zinc/99/62/43/625996243.db2.gz JPPXVTCZELJUKX-BMFZPTHFSA-N 2 3 265.445 1.554 20 0 CDADHP C[NH2+]CCC1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904301701 626242787 /nfs/dbraw/zinc/24/27/87/626242787.db2.gz PGFDNFJAYYHLBX-OAHLLOKOSA-N 2 3 253.434 1.698 20 0 CDADHP CC(C)(N)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000904458735 626302465 /nfs/dbraw/zinc/30/24/65/626302465.db2.gz HCIGDEVOBPLDOW-UHFFFAOYSA-N 2 3 261.413 1.716 20 0 CDADHP C[C@@H](CC[NH2+]CC1CC[NH2+]CC1)N1CCCCC1 ZINC001573542861 1170687398 /nfs/dbraw/zinc/68/73/98/1170687398.db2.gz IVONVNNOCUTLLZ-AWEZNQCLSA-N 2 3 253.434 1.840 20 0 CDADHP F[C@@H]1CCNC[C@@]12CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC001235400024 914205203 /nfs/dbraw/zinc/20/52/03/914205203.db2.gz BQTGGERFGUWSOQ-RRFJBIMHSA-N 2 3 269.408 1.400 20 0 CDADHP F[C@@H]1CCNC[C@@]12CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC001235400024 914205220 /nfs/dbraw/zinc/20/52/20/914205220.db2.gz BQTGGERFGUWSOQ-RRFJBIMHSA-N 2 3 269.408 1.400 20 0 CDADHP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CCN1 ZINC001246147181 931109529 /nfs/dbraw/zinc/10/95/29/931109529.db2.gz LTWLKUVHUGLZCB-QCODTGAPSA-N 2 3 265.445 1.742 20 0 CDADHP C[C@@H]1CC([N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)C[C@@H](C)N1 ZINC001246564575 931797445 /nfs/dbraw/zinc/79/74/45/931797445.db2.gz XWQOLUOUYWMMPY-AAVRWANBSA-N 2 3 253.434 1.822 20 0 CDADHP C[C@@H]1CC([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)C[C@@H](C)N1 ZINC001246564575 931797450 /nfs/dbraw/zinc/79/74/50/931797450.db2.gz XWQOLUOUYWMMPY-AAVRWANBSA-N 2 3 253.434 1.822 20 0 CDADHP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCN[C@@H]2C)CC1 ZINC000925544765 932903202 /nfs/dbraw/zinc/90/32/02/932903202.db2.gz CEDCOIDLNZFXCO-HZPDHXFCSA-N 2 3 282.476 1.134 20 0 CDADHP C[C@@H]1[C@H](CN)CCC[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001205903701 939954754 /nfs/dbraw/zinc/95/47/54/939954754.db2.gz QTWBIWCBVXMDDV-HIFRSBDPSA-N 2 3 265.445 1.825 20 0 CDADHP C[C@@H]1[C@H](CN)CCC[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001205903701 939954757 /nfs/dbraw/zinc/95/47/57/939954757.db2.gz QTWBIWCBVXMDDV-HIFRSBDPSA-N 2 3 265.445 1.825 20 0 CDADHP CN1CC2(C1)CC[NH+](CC1(C)CC[NH+](C)CC1)CC2 ZINC001208108236 940290346 /nfs/dbraw/zinc/29/03/46/940290346.db2.gz BQBZPSFODBHHRN-UHFFFAOYSA-N 2 3 265.445 1.746 20 0 CDADHP C[C@@H]1CC[NH2+]CC[C@@H]1C[NH2+][C@H]1CCNC2(CCC2)C1 ZINC001246112145 947963103 /nfs/dbraw/zinc/96/31/03/947963103.db2.gz PXEKWWWRQBGLED-KFWWJZLASA-N 2 3 265.445 1.886 20 0 CDADHP C1[NH2+]CC12CCOC[C@@H]2NC1CCC2(CCC[NH2+]C2)CC1 ZINC001246138453 947982376 /nfs/dbraw/zinc/98/23/76/947982376.db2.gz MOPGLDCARCPHCY-PCKAHOCUSA-N 2 3 293.455 1.267 20 0 CDADHP C1NCC12CCOC[C@@H]2[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246138453 947982387 /nfs/dbraw/zinc/98/23/87/947982387.db2.gz MOPGLDCARCPHCY-PCKAHOCUSA-N 2 3 293.455 1.267 20 0 CDADHP CCOC(=O)C[C@H]([NH2+][C@@H]1CCCCNC1)C1CC[NH2+]CC1 ZINC001246229914 948043391 /nfs/dbraw/zinc/04/33/91/948043391.db2.gz QAUZJRNJSWCBNX-CABCVRRESA-N 2 3 297.443 1.040 20 0 CDADHP C[C@@H]1C[C@H]([NH2+]CC2(c3cccnc3)CC[NH2+]CC2)CCN1 ZINC001246423531 948167161 /nfs/dbraw/zinc/16/71/61/948167161.db2.gz OUAAUFDIKXWIHS-GDBMZVCRSA-N 2 3 288.439 1.433 20 0 CDADHP C[C@@H]1C[C@H](NCC2(c3cccnc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246423531 948167166 /nfs/dbraw/zinc/16/71/66/948167166.db2.gz OUAAUFDIKXWIHS-GDBMZVCRSA-N 2 3 288.439 1.433 20 0 CDADHP C[C@H]1C[C@@H]([N@@H+]2CCCC3(CC[NH2+]CC3)C2)CCN1 ZINC001246524877 948225122 /nfs/dbraw/zinc/22/51/22/948225122.db2.gz UDNOBFZINZWOIH-KBPBESRZSA-N 2 3 251.418 1.593 20 0 CDADHP C[C@H]1C[C@@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)CCN1 ZINC001246524877 948225129 /nfs/dbraw/zinc/22/51/29/948225129.db2.gz UDNOBFZINZWOIH-KBPBESRZSA-N 2 3 251.418 1.593 20 0 CDADHP CCCC[C@@H]1C[C@H](N2CCC[C@](O)(C[NH3+])CC2)CC[NH2+]1 ZINC001246539129 948238608 /nfs/dbraw/zinc/23/86/08/948238608.db2.gz AUDCIMKIRVBISU-BZUAXINKSA-N 2 3 283.460 1.473 20 0 CDADHP CCCC[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)CCN1 ZINC001246676725 948401426 /nfs/dbraw/zinc/40/14/26/948401426.db2.gz FXKADPKQLUJXCK-BMFZPTHFSA-N 2 3 265.445 1.839 20 0 CDADHP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C3C[NH2+]C3)C2)CCN1 ZINC001246676725 948401432 /nfs/dbraw/zinc/40/14/32/948401432.db2.gz FXKADPKQLUJXCK-BMFZPTHFSA-N 2 3 265.445 1.839 20 0 CDADHP c1ccc(C[C@@H]2C[C@H]([N@@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)CCN2)cc1 ZINC001246848926 948475734 /nfs/dbraw/zinc/47/57/34/948475734.db2.gz XGARTUCBINFSPF-INDMIFKZSA-N 2 3 299.462 1.891 20 0 CDADHP c1ccc(C[C@@H]2C[C@H]([N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)CCN2)cc1 ZINC001246848926 948475738 /nfs/dbraw/zinc/47/57/38/948475738.db2.gz XGARTUCBINFSPF-INDMIFKZSA-N 2 3 299.462 1.891 20 0 CDADHP [NH3+]CC1(c2ccccc2)CC([NH2+]C2CCNCC2)C1 ZINC001550946311 966300766 /nfs/dbraw/zinc/30/07/66/966300766.db2.gz ZDBLKGWVFNEEKR-UHFFFAOYSA-N 2 3 259.397 1.387 20 0 CDADHP [NH3+]CC1(c2ccccc2)CC(NC2CC[NH2+]CC2)C1 ZINC001550946311 966300773 /nfs/dbraw/zinc/30/07/73/966300773.db2.gz ZDBLKGWVFNEEKR-UHFFFAOYSA-N 2 3 259.397 1.387 20 0 CDADHP C[C@@H](CCC[NH3+])[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000422796875 295854542 /nfs/dbraw/zinc/85/45/42/295854542.db2.gz ZHNSXMJNIOPAEU-INIZCTEOSA-N 2 3 296.503 1.654 20 0 CDADHP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000423172739 359755517 /nfs/dbraw/zinc/75/55/17/359755517.db2.gz UYGZCWQTNARLSI-KFWWJZLASA-N 2 3 253.434 1.825 20 0 CDADHP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000423172739 359755519 /nfs/dbraw/zinc/75/55/19/359755519.db2.gz UYGZCWQTNARLSI-KFWWJZLASA-N 2 3 253.434 1.825 20 0 CDADHP CC(C)[C@H](CN)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000634996620 360628718 /nfs/dbraw/zinc/62/87/18/360628718.db2.gz PKMHTLHYVBPMQN-OAGGEKHMSA-N 2 3 283.460 1.436 20 0 CDADHP CC(C)[C@H](C[NH3+])CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000634996620 360628720 /nfs/dbraw/zinc/62/87/20/360628720.db2.gz PKMHTLHYVBPMQN-OAGGEKHMSA-N 2 3 283.460 1.436 20 0 CDADHP [NH3+]C[C@H]1CCC[C@@H]1NCc1cccc2c1CC[NH2+]C2 ZINC000635007601 360658302 /nfs/dbraw/zinc/65/83/02/360658302.db2.gz FBMQMJXUGPUEPR-WBMJQRKESA-N 2 3 259.397 1.549 20 0 CDADHP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](CN3CCCC3)C2)CC[NH2+]1 ZINC000414705167 241340161 /nfs/dbraw/zinc/34/01/61/241340161.db2.gz NPPNZOFJSHXPCW-PMPSAXMXSA-N 2 3 265.445 1.792 20 0 CDADHP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](CN3CCCC3)C2)CC[NH2+]1 ZINC000414705167 241340162 /nfs/dbraw/zinc/34/01/62/241340162.db2.gz NPPNZOFJSHXPCW-PMPSAXMXSA-N 2 3 265.445 1.792 20 0 CDADHP C[C@@H]([NH3+])C[C@@H](C)NCc1cccc(OCC[NH+](C)C)c1 ZINC000422896871 245380858 /nfs/dbraw/zinc/38/08/58/245380858.db2.gz IUTNJFRNWJJVGM-ZIAGYGMSSA-N 2 3 279.428 1.842 20 0 CDADHP CN1CCC2(CCC[N@@H+]2CC2CC[NH2+]CC2)CC1 ZINC000261809414 392022972 /nfs/dbraw/zinc/02/29/72/392022972.db2.gz HOHLSTULINZRAI-UHFFFAOYSA-N 2 3 251.418 1.546 20 0 CDADHP CN1CCC2(CCC[N@H+]2CC2CC[NH2+]CC2)CC1 ZINC000261809414 392022981 /nfs/dbraw/zinc/02/29/81/392022981.db2.gz HOHLSTULINZRAI-UHFFFAOYSA-N 2 3 251.418 1.546 20 0 CDADHP N[C@@H]1C[C@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc21 ZINC000423182973 392423533 /nfs/dbraw/zinc/42/35/33/392423533.db2.gz KRJRRUZAJMPFCN-CVEARBPZSA-N 2 3 274.412 1.016 20 0 CDADHP CCOC(=O)C1([C@H](C)[NH2+]CC(N)(CC)CC)CC[NH2+]CC1 ZINC000423290974 392491112 /nfs/dbraw/zinc/49/11/12/392491112.db2.gz GDLBROXDOSZARK-ZDUSSCGKSA-N 2 3 299.459 1.415 20 0 CDADHP CCOC(=O)C1([C@H](C)NCC([NH3+])(CC)CC)CC[NH2+]CC1 ZINC000423290974 392491114 /nfs/dbraw/zinc/49/11/14/392491114.db2.gz GDLBROXDOSZARK-ZDUSSCGKSA-N 2 3 299.459 1.415 20 0 CDADHP C(CN1CCCC[C@H]1[C@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000420405141 397702763 /nfs/dbraw/zinc/70/27/63/397702763.db2.gz SXANXVCIQUZWRW-KKUMJFAQSA-N 2 3 251.418 1.450 20 0 CDADHP CC(C)C[C@H](N)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000414649981 279178931 /nfs/dbraw/zinc/17/89/31/279178931.db2.gz CQSLLHHYWYUCRW-GJZGRUSLSA-N 2 3 253.434 1.824 20 0 CDADHP C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000423564833 290025062 /nfs/dbraw/zinc/02/50/62/290025062.db2.gz YGQZQRSUDZUMAG-NJVJYBDUSA-N 2 3 251.418 1.495 20 0 CDADHP [NH3+]CC[C@@H]1CCCCN1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903748848 626071961 /nfs/dbraw/zinc/07/19/61/626071961.db2.gz BPGRAJXFCYFIBD-LSDHHAIUSA-N 2 3 281.444 1.348 20 0 CDADHP C[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1CCN ZINC000903932871 626152884 /nfs/dbraw/zinc/15/28/84/626152884.db2.gz WUFKFWOMJKCAQW-MOTUXRJWSA-N 2 3 265.445 1.966 20 0 CDADHP C[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1CCN ZINC000903932871 626152885 /nfs/dbraw/zinc/15/28/85/626152885.db2.gz WUFKFWOMJKCAQW-MOTUXRJWSA-N 2 3 265.445 1.966 20 0 CDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCCC[NH2+]C(C)(C)C ZINC000848994002 725414502 /nfs/dbraw/zinc/41/45/02/725414502.db2.gz FECDPIIQMLCKDZ-CYBMUJFWSA-N 2 3 283.464 1.363 20 0 CDADHP CCCC[NH+]1CCC(CNC[C@H](O)C[NH+](CC)CC)CC1 ZINC001253211982 930137255 /nfs/dbraw/zinc/13/72/55/930137255.db2.gz GKWCRYDCBMPGPQ-KRWDZBQOSA-N 2 3 299.503 1.791 20 0 CDADHP CCCC[C@H]1C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)CCN1 ZINC001246460930 931503483 /nfs/dbraw/zinc/50/34/83/931503483.db2.gz AWRCJBYRJQFUJZ-QLFBSQMISA-N 2 3 253.434 1.886 20 0 CDADHP C[C@@H]1CC[N@@H+]([C@H]2CCNC3(CCC3)C2)CC[C@@H]1C[NH3+] ZINC001246560700 931785044 /nfs/dbraw/zinc/78/50/44/931785044.db2.gz SBMFVVABMUBZQO-KFWWJZLASA-N 2 3 265.445 1.968 20 0 CDADHP C[C@@H]1CC[N@H+]([C@H]2CCNC3(CCC3)C2)CC[C@@H]1C[NH3+] ZINC001246560700 931785046 /nfs/dbraw/zinc/78/50/46/931785046.db2.gz SBMFVVABMUBZQO-KFWWJZLASA-N 2 3 265.445 1.968 20 0 CDADHP C(C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1)[C@@H]1CNCCO1 ZINC001222161953 941570277 /nfs/dbraw/zinc/57/02/77/941570277.db2.gz UHCKSRSIQURGJH-IAGOWNOFSA-N 2 3 295.471 1.611 20 0 CDADHP C(C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1)[C@@H]1CNCCO1 ZINC001222161953 941570280 /nfs/dbraw/zinc/57/02/80/941570280.db2.gz UHCKSRSIQURGJH-IAGOWNOFSA-N 2 3 295.471 1.611 20 0 CDADHP C[C@H]1C[NH2+]C[C@H](C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC001246100688 947951983 /nfs/dbraw/zinc/95/19/83/947951983.db2.gz OUARXFXPZRKXTD-YZDRTPDPSA-N 2 3 265.445 1.837 20 0 CDADHP C1NCC12CCC[N@@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246791818 948438909 /nfs/dbraw/zinc/43/89/09/948438909.db2.gz MQTUDLRRTMAJJN-UHFFFAOYSA-N 2 3 277.456 1.984 20 0 CDADHP C1NCC12CCC[N@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246791818 948438919 /nfs/dbraw/zinc/43/89/19/948438919.db2.gz MQTUDLRRTMAJJN-UHFFFAOYSA-N 2 3 277.456 1.984 20 0 CDADHP C1[NH2+]CC12CCCN(C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246791818 948438924 /nfs/dbraw/zinc/43/89/24/948438924.db2.gz MQTUDLRRTMAJJN-UHFFFAOYSA-N 2 3 277.456 1.984 20 0 CDADHP C[C@H]([NH2+][C@@H]1[C@H]2CCCN[C@H]2C1(C)C)C1CC[NH2+]CC1 ZINC001553024973 964488799 /nfs/dbraw/zinc/48/87/99/964488799.db2.gz CZCVYUGJXGMMOA-SPWCGHHHSA-N 2 3 265.445 1.741 20 0 CDADHP CC(C)[C@H](CN)C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC001575423086 1171171579 /nfs/dbraw/zinc/17/15/79/1171171579.db2.gz PBTYSLBKANZBED-CQSZACIVSA-N 2 3 271.449 1.260 20 0 CDADHP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)CC[NH2+]1 ZINC000650709798 398153099 /nfs/dbraw/zinc/15/30/99/398153099.db2.gz RAHPXRKIDRVUOY-QPSCCSFWSA-N 2 3 251.418 1.435 20 0 CDADHP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)CC[NH2+]1 ZINC000650709798 398153104 /nfs/dbraw/zinc/15/31/04/398153104.db2.gz RAHPXRKIDRVUOY-QPSCCSFWSA-N 2 3 251.418 1.435 20 0 CDADHP C[C@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)C1CC[NH+](C)CC1 ZINC000643503401 539080670 /nfs/dbraw/zinc/08/06/70/539080670.db2.gz NOCHWTXJUUXHDD-KCQAQPDRSA-N 2 3 253.434 1.694 20 0 CDADHP NC[C@@H]1CCCC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000422981170 359695943 /nfs/dbraw/zinc/69/59/43/359695943.db2.gz SASKJZIZPPFXDH-ARFHVFGLSA-N 2 3 283.460 1.330 20 0 CDADHP NC[C@@H]1CCCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000422981170 359695946 /nfs/dbraw/zinc/69/59/46/359695946.db2.gz SASKJZIZPPFXDH-ARFHVFGLSA-N 2 3 283.460 1.330 20 0 CDADHP CCOC(=O)C1([C@H](C)N[C@@H]2CCCC[C@H]2[NH3+])CC[NH2+]CC1 ZINC000424376094 360028245 /nfs/dbraw/zinc/02/82/45/360028245.db2.gz OMEDMDUGPSHRAS-BFHYXJOUSA-N 2 3 297.443 1.167 20 0 CDADHP CC(C)[C@@H](C[NH3+])CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000634991158 360615899 /nfs/dbraw/zinc/61/58/99/360615899.db2.gz RYUCCIBTGHGNMH-GJZGRUSLSA-N 2 3 253.434 1.681 20 0 CDADHP CC(C)[C@@H](CN)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000634991158 360615903 /nfs/dbraw/zinc/61/59/03/360615903.db2.gz RYUCCIBTGHGNMH-GJZGRUSLSA-N 2 3 253.434 1.681 20 0 CDADHP C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1cccc2c1CC[NH2+]C2 ZINC000635011590 360655050 /nfs/dbraw/zinc/65/50/50/360655050.db2.gz RAAOADIQRRSWBG-VUCTXSBTSA-N 2 3 289.423 1.174 20 0 CDADHP [NH3+]C[C@H]1CCCC[C@@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635012103 360657275 /nfs/dbraw/zinc/65/72/75/360657275.db2.gz QOOXTARMQXABOY-HIFRSBDPSA-N 2 3 289.427 1.421 20 0 CDADHP C[C@@H]([NH2+]C[C@]1(C)CCCNC1)C1CC[NH+](C)CC1 ZINC000643518481 360948711 /nfs/dbraw/zinc/94/87/11/360948711.db2.gz NUDUQECJFSDUEI-UKRRQHHQSA-N 2 3 253.434 1.696 20 0 CDADHP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)C2CNC2)CC1 ZINC000422835814 245316255 /nfs/dbraw/zinc/31/62/55/245316255.db2.gz JDGVGPLFHORFAM-AWEZNQCLSA-N 2 3 267.461 1.942 20 0 CDADHP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)C1CNC1 ZINC000422881390 245367836 /nfs/dbraw/zinc/36/78/36/245367836.db2.gz NLMYREZAQKFGOQ-ZIAGYGMSSA-N 2 3 253.434 1.696 20 0 CDADHP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1CNC1 ZINC000422881390 245367839 /nfs/dbraw/zinc/36/78/39/245367839.db2.gz NLMYREZAQKFGOQ-ZIAGYGMSSA-N 2 3 253.434 1.696 20 0 CDADHP C[NH+](C)CCOc1cccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422898876 245383888 /nfs/dbraw/zinc/38/38/88/245383888.db2.gz NDVMGLRIJLOULL-NVXWUHKLSA-N 2 3 291.439 1.844 20 0 CDADHP C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000647508942 390975231 /nfs/dbraw/zinc/97/52/31/390975231.db2.gz ANAHVLDBLBYYNU-ZBFHGGJFSA-N 2 3 291.439 1.796 20 0 CDADHP CC1(C)CNCC[C@@H]1[NH2+]CCCC1CC[NH2+]CC1 ZINC000647988128 391642007 /nfs/dbraw/zinc/64/20/07/391642007.db2.gz RTJNRXMFUOMSEW-AWEZNQCLSA-N 2 3 253.434 1.744 20 0 CDADHP c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc2c1CNC2 ZINC000647799920 391662531 /nfs/dbraw/zinc/66/25/31/391662531.db2.gz UEVQADDMCTVUOD-USXIJHARSA-N 2 3 271.408 1.768 20 0 CDADHP [NH3+]CCOCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000649411563 392195788 /nfs/dbraw/zinc/19/57/88/392195788.db2.gz GJWOCQODAWBXOJ-UHFFFAOYSA-N 2 3 283.460 1.550 20 0 CDADHP N[C@H]1C[C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc21 ZINC000423182976 392423350 /nfs/dbraw/zinc/42/33/50/392423350.db2.gz KRJRRUZAJMPFCN-JKSUJKDBSA-N 2 3 274.412 1.016 20 0 CDADHP C[C@@H](NCCCC[N@H+](C)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000423165745 392403108 /nfs/dbraw/zinc/40/31/08/392403108.db2.gz QFOPGCQZFOSKLB-UKRRQHHQSA-N 2 3 253.434 1.981 20 0 CDADHP C[C@@H](NCCCC[N@@H+](C)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000423165745 392403113 /nfs/dbraw/zinc/40/31/13/392403113.db2.gz QFOPGCQZFOSKLB-UKRRQHHQSA-N 2 3 253.434 1.981 20 0 CDADHP C([C@@H]1CC[NH2+]C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290140 414618246 /nfs/dbraw/zinc/61/82/46/414618246.db2.gz LBQGNIVULGTQDI-UKRRQHHQSA-N 2 3 251.418 1.308 20 0 CDADHP C[C@H](NCC[C@H]1CCC[N@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423167396 278259889 /nfs/dbraw/zinc/25/98/89/278259889.db2.gz FAVORTUMQOAKAT-RRFJBIMHSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423167396 278259890 /nfs/dbraw/zinc/25/98/90/278259890.db2.gz FAVORTUMQOAKAT-RRFJBIMHSA-N 2 3 253.434 1.839 20 0 CDADHP CC[NH+](CC)CCOCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000565226233 293569907 /nfs/dbraw/zinc/56/99/07/293569907.db2.gz LPYMSFCVKOFQND-KBPBESRZSA-N 2 3 257.422 1.204 20 0 CDADHP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000583806648 325243986 /nfs/dbraw/zinc/24/39/86/325243986.db2.gz LWNWHFDLRHQZRS-VIBAHUMZSA-N 2 3 287.451 1.923 20 0 CDADHP CC[NH+](CC)CCOCCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925648504 617591276 /nfs/dbraw/zinc/59/12/76/617591276.db2.gz VHBJFESGEALIIP-KBPBESRZSA-N 2 3 269.433 1.204 20 0 CDADHP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000903752762 626073869 /nfs/dbraw/zinc/07/38/69/626073869.db2.gz WMWWHIQZDDJTFR-NXOAAHMSSA-N 2 3 293.455 1.219 20 0 CDADHP [NH3+][C@@H]1CCC[C@@H]2CN(C[C@@H]3CCCC[NH2+]C3)C[C@@H]21 ZINC000903744307 626080717 /nfs/dbraw/zinc/08/07/17/626080717.db2.gz QWCDJJYRCBUHTN-APIJFGDWSA-N 2 3 251.418 1.435 20 0 CDADHP C[C@]12C[NH2+]C[C@H]1CN(CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000923428742 726011403 /nfs/dbraw/zinc/01/14/03/726011403.db2.gz ZDRRDYCRDZICFL-XRMFNRFGSA-N 2 3 263.429 1.448 20 0 CDADHP CCN1CCC[C@H]1CNC(=[NH2+])NCC1CC[NH+](CC)CC1 ZINC000848996011 726844416 /nfs/dbraw/zinc/84/44/16/726844416.db2.gz ACURGWASNFPRGU-HNNXBMFYSA-N 2 3 295.475 1.317 20 0 CDADHP C[C@@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)C[C@H]1C[NH3+] ZINC000864055460 726907105 /nfs/dbraw/zinc/90/71/05/726907105.db2.gz PYQHCAIKSFPPID-ZYHUDNBSSA-N 2 3 265.426 1.420 20 0 CDADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(CC[NH3+])cc1 ZINC000817947602 727301989 /nfs/dbraw/zinc/30/19/89/727301989.db2.gz BVTWQXUTEVYRID-CJNGLKHVSA-N 2 3 261.413 1.666 20 0 CDADHP C[C@H]1C[C@H](NCc2ccc(CC[NH3+])cc2)CC[N@@H+]1C ZINC000817949217 728154934 /nfs/dbraw/zinc/15/49/34/728154934.db2.gz OFGUFHRHDKXDHA-XJKSGUPXSA-N 2 3 261.413 1.760 20 0 CDADHP C[C@H]1C[C@H](NCc2ccc(CC[NH3+])cc2)CC[N@H+]1C ZINC000817949217 728154938 /nfs/dbraw/zinc/15/49/38/728154938.db2.gz OFGUFHRHDKXDHA-XJKSGUPXSA-N 2 3 261.413 1.760 20 0 CDADHP CCCN(Cc1ccc(C[NH3+])cc1)C[C@H]1CC[NH2+]C1 ZINC001236833463 916680167 /nfs/dbraw/zinc/68/01/67/916680167.db2.gz BQOPGXUZUNUDAL-INIZCTEOSA-N 2 3 261.413 1.967 20 0 CDADHP C[NH+]1CCC(C[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CC1 ZINC000693708765 937250789 /nfs/dbraw/zinc/25/07/89/937250789.db2.gz AKXLIBSJPWOLJX-QLFBSQMISA-N 2 3 265.445 1.694 20 0 CDADHP COCCC1(CN[C@@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]CC1 ZINC001246368575 931486197 /nfs/dbraw/zinc/48/61/97/931486197.db2.gz FVZSVHRIGVJPRN-ZIAGYGMSSA-N 2 3 269.433 1.123 20 0 CDADHP [NH3+]C[C@@]1(F)CCCN([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246553352 931745586 /nfs/dbraw/zinc/74/55/86/931745586.db2.gz XZPDHMCCOMMCJA-ZOBORPQBSA-N 2 3 255.381 1.422 20 0 CDADHP [NH3+]C[C@]1(F)CCCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001205545527 939899682 /nfs/dbraw/zinc/89/96/82/939899682.db2.gz IYWLSTIDKPIBTQ-KBPBESRZSA-N 2 3 257.397 1.672 20 0 CDADHP CC[NH+]1CCC(C[N@@H+]2CCCC[C@H](CN)C2)CC1 ZINC001206606600 940070171 /nfs/dbraw/zinc/07/01/71/940070171.db2.gz QZIBEZTXEPNVAJ-OAHLLOKOSA-N 2 3 253.434 1.779 20 0 CDADHP CC[NH+]1CCC(C[N@H+]2CCCC[C@H](CN)C2)CC1 ZINC001206606600 940070175 /nfs/dbraw/zinc/07/01/75/940070175.db2.gz QZIBEZTXEPNVAJ-OAHLLOKOSA-N 2 3 253.434 1.779 20 0 CDADHP CC[C@H](N)C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236948815 944620446 /nfs/dbraw/zinc/62/04/46/944620446.db2.gz SNUSSRKQBUUGKH-HNNXBMFYSA-N 2 3 253.434 1.825 20 0 CDADHP C[C@@H]1CC[NH2+]CC[C@H]1C[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC001246112146 947961471 /nfs/dbraw/zinc/96/14/71/947961471.db2.gz PXEKWWWRQBGLED-QLFBSQMISA-N 2 3 265.445 1.886 20 0 CDADHP c1cc2n(c1)C[C@@H](CCN[C@@H]1CCCC[NH2+]C1)C[NH2+]C2 ZINC001246136158 947979520 /nfs/dbraw/zinc/97/95/20/947979520.db2.gz CMBXTFIHPRMXGF-LSDHHAIUSA-N 2 3 276.428 1.329 20 0 CDADHP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CCN1 ZINC001246140688 947985734 /nfs/dbraw/zinc/98/57/34/947985734.db2.gz BUNLDXYEDOJFOF-ZQNQSHIBSA-N 2 3 251.418 1.352 20 0 CDADHP CC[NH+](CC)[C@H]1CC[C@H]([NH2+]C2CCNCC2)CC1 ZINC001246503925 948211080 /nfs/dbraw/zinc/21/10/80/948211080.db2.gz NQBNNMFJMFRPIG-CTYIDZIISA-N 2 3 253.434 1.981 20 0 CDADHP CC[NH+](CC)C1CCC(N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC001246567171 948285165 /nfs/dbraw/zinc/28/51/65/948285165.db2.gz LRPKWVPOCKIINW-XSCHDIRWSA-N 2 3 253.434 1.918 20 0 CDADHP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(F)(C[NH3+])CC1)C2 ZINC001246622912 948357468 /nfs/dbraw/zinc/35/74/68/948357468.db2.gz AGWAXZFNZDVZFV-CLLJXQQHSA-N 2 3 255.381 1.374 20 0 CDADHP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(F)(C[NH3+])CC1)C2 ZINC001246622912 948357472 /nfs/dbraw/zinc/35/74/72/948357472.db2.gz AGWAXZFNZDVZFV-CLLJXQQHSA-N 2 3 255.381 1.374 20 0 CDADHP C[NH+]1CCC(C[NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256677762 948388388 /nfs/dbraw/zinc/38/83/88/948388388.db2.gz OHIXYTJWPSUKPY-UHFFFAOYSA-N 2 3 295.471 1.561 20 0 CDADHP C[C@@H]1C[C@@H]([NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)CCN1 ZINC001246658088 948392813 /nfs/dbraw/zinc/39/28/13/948392813.db2.gz TWZRGZZWUZMMRV-VNQPRFMTSA-N 2 3 265.445 1.981 20 0 CDADHP C[C@@H]1C[C@@H](N2CCC([C@H]3CCCC[NH2+]3)CC2)CC[NH2+]1 ZINC001246658088 948392819 /nfs/dbraw/zinc/39/28/19/948392819.db2.gz TWZRGZZWUZMMRV-VNQPRFMTSA-N 2 3 265.445 1.981 20 0 CDADHP C([C@H]1CCC[NH2+]C1)N(C1CC1)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246972571 948549620 /nfs/dbraw/zinc/54/96/20/948549620.db2.gz KUOSMLRTJIPZIT-GXTWGEPZSA-N 2 3 281.469 1.298 20 0 CDADHP CC(C)(C)[NH2+]C[C@@H](O)CNCCCCC[NH+]1CCCC1 ZINC001253406953 951891809 /nfs/dbraw/zinc/89/18/09/951891809.db2.gz ZHFFXPPPRYPQSE-HNNXBMFYSA-N 2 3 285.476 1.591 20 0 CDADHP CC(C)(C)NC[C@@H](O)C[NH2+]CCCCC[NH+]1CCCC1 ZINC001253406953 951891813 /nfs/dbraw/zinc/89/18/13/951891813.db2.gz ZHFFXPPPRYPQSE-HNNXBMFYSA-N 2 3 285.476 1.591 20 0 CDADHP C[C@H](CC[NH2+][C@H]1CC[C@@H](C[NH3+])C1)N1CCCCC1 ZINC001575966049 1171305207 /nfs/dbraw/zinc/30/52/07/1171305207.db2.gz CYFJNPBXKIWACW-KFWWJZLASA-N 2 3 253.434 1.968 20 0 CDADHP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@]2(C)CCCNC2)C1 ZINC001578529343 1171942020 /nfs/dbraw/zinc/94/20/20/1171942020.db2.gz UDKUIYFUKQFLMW-LSDHHAIUSA-N 2 3 253.434 1.698 20 0 CDADHP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@]2(C)CCCNC2)C1 ZINC001578529343 1171942026 /nfs/dbraw/zinc/94/20/26/1171942026.db2.gz UDKUIYFUKQFLMW-LSDHHAIUSA-N 2 3 253.434 1.698 20 0 CDADHP C[C@@H]([NH2+]CCCCN1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000154439664 539065331 /nfs/dbraw/zinc/06/53/31/539065331.db2.gz YCJOYAHAROMOCE-MRXNPFEDSA-N 2 3 296.503 1.334 20 0 CDADHP O[C@H](CNCC1CC[NH+](CC2CC2)CC1)C[NH+]1CCCC1 ZINC000629585414 363052904 /nfs/dbraw/zinc/05/29/04/363052904.db2.gz UTCNWSZZCMMBMN-QGZVFWFLSA-N 2 3 295.471 1.155 20 0 CDADHP C[C@@H]1C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000634734143 358072569 /nfs/dbraw/zinc/07/25/69/358072569.db2.gz XXQQSRVQASDQQZ-MGPQQGTHSA-N 2 3 253.434 1.600 20 0 CDADHP CC[NH+]1CCC(Nc2cc(N3CCNCC3)cc[nH+]2)CC1 ZINC000635010585 360653910 /nfs/dbraw/zinc/65/39/10/360653910.db2.gz UBSZLVYANHOEAG-UHFFFAOYSA-N 2 3 289.427 1.387 20 0 CDADHP C[C@@H]1C[C@H](CN2CCC([NH2+]CC3CC3)CC2)CC[NH2+]1 ZINC000414658662 241304874 /nfs/dbraw/zinc/30/48/74/241304874.db2.gz LRXUOZDBFGAMGR-UKRRQHHQSA-N 2 3 265.445 1.839 20 0 CDADHP [NH3+]CCCN(CC[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420304150 244053125 /nfs/dbraw/zinc/05/31/25/244053125.db2.gz DKURDFUQQUUCGF-HNNXBMFYSA-N 2 3 261.413 1.837 20 0 CDADHP COc1ccc([C@@H](CN)C[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000573689529 371625576 /nfs/dbraw/zinc/62/55/76/371625576.db2.gz OMVQQTDNJFFTCH-INIZCTEOSA-N 2 3 291.439 1.798 20 0 CDADHP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000459730549 391428068 /nfs/dbraw/zinc/42/80/68/391428068.db2.gz KPXYJCNGSXFWHC-OWCLPIDISA-N 2 3 265.445 1.935 20 0 CDADHP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000459730549 391428070 /nfs/dbraw/zinc/42/80/70/391428070.db2.gz KPXYJCNGSXFWHC-OWCLPIDISA-N 2 3 265.445 1.935 20 0 CDADHP C[N@@H+]1CCC[C@H](CCN[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000459730549 391428074 /nfs/dbraw/zinc/42/80/74/391428074.db2.gz KPXYJCNGSXFWHC-OWCLPIDISA-N 2 3 265.445 1.935 20 0 CDADHP C[N@H+]1CCC[C@H](CCN[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000459730549 391428077 /nfs/dbraw/zinc/42/80/77/391428077.db2.gz KPXYJCNGSXFWHC-OWCLPIDISA-N 2 3 265.445 1.935 20 0 CDADHP C[NH+]1CCC[C@H](CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000459730549 391428080 /nfs/dbraw/zinc/42/80/80/391428080.db2.gz KPXYJCNGSXFWHC-OWCLPIDISA-N 2 3 265.445 1.935 20 0 CDADHP C[NH+]1CCC[C@H](CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000459730549 391428083 /nfs/dbraw/zinc/42/80/83/391428083.db2.gz KPXYJCNGSXFWHC-OWCLPIDISA-N 2 3 265.445 1.935 20 0 CDADHP C[C@@H](CCC[NH3+])[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000423023358 392281573 /nfs/dbraw/zinc/28/15/73/392281573.db2.gz JQRKJWQMAHYVCY-ZDUSSCGKSA-N 2 3 280.416 1.239 20 0 CDADHP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000422859246 286443186 /nfs/dbraw/zinc/44/31/86/286443186.db2.gz HDQNNAVUYZWBOG-KFWWJZLASA-N 2 3 271.449 1.450 20 0 CDADHP C[NH+](C)CCOc1cccc(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422898878 289171437 /nfs/dbraw/zinc/17/14/37/289171437.db2.gz NDVMGLRIJLOULL-WBVHZDCISA-N 2 3 291.439 1.844 20 0 CDADHP CC1(C)C[NH2+]CC[C@H]1NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903753528 626074361 /nfs/dbraw/zinc/07/43/61/626074361.db2.gz VPAKLPLMLGRAKL-UONOGXRCSA-N 2 3 281.444 1.123 20 0 CDADHP CC1(C)CNCC[C@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903753528 626074363 /nfs/dbraw/zinc/07/43/63/626074363.db2.gz VPAKLPLMLGRAKL-UONOGXRCSA-N 2 3 281.444 1.123 20 0 CDADHP CC(C)[C@H](C[NH3+])CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903980678 626170739 /nfs/dbraw/zinc/17/07/39/626170739.db2.gz XSFKVVNXWJAVSQ-OIISXLGYSA-N 2 3 294.487 1.118 20 0 CDADHP CC(C)[C@H](C[NH3+])CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903980678 626170741 /nfs/dbraw/zinc/17/07/41/626170741.db2.gz XSFKVVNXWJAVSQ-OIISXLGYSA-N 2 3 294.487 1.118 20 0 CDADHP CC(C)[C@H](C[NH3+])CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980678 626170742 /nfs/dbraw/zinc/17/07/42/626170742.db2.gz XSFKVVNXWJAVSQ-OIISXLGYSA-N 2 3 294.487 1.118 20 0 CDADHP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCN1c1ccncc1 ZINC000883448093 728383065 /nfs/dbraw/zinc/38/30/65/728383065.db2.gz UMNJDDZMIOSXDL-HNNXBMFYSA-N 2 3 288.439 1.982 20 0 CDADHP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCN1c1ccncc1 ZINC000883448093 728383066 /nfs/dbraw/zinc/38/30/66/728383066.db2.gz UMNJDDZMIOSXDL-HNNXBMFYSA-N 2 3 288.439 1.982 20 0 CDADHP C[NH+]1CCC(CC[NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000229936918 729084496 /nfs/dbraw/zinc/08/44/96/729084496.db2.gz LYUWYGCITUIFHP-HUUCEWRRSA-N 2 3 253.434 1.825 20 0 CDADHP C[C@@H](NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCC[NH2+]1 ZINC000873260696 729568675 /nfs/dbraw/zinc/56/86/75/729568675.db2.gz FVJNNGYLFNXQLH-UXXRCYHCSA-N 2 3 251.418 1.637 20 0 CDADHP C[C@H](NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCC[NH2+]1 ZINC000873260695 729605280 /nfs/dbraw/zinc/60/52/80/729605280.db2.gz FVJNNGYLFNXQLH-SBJFKYEJSA-N 2 3 251.418 1.637 20 0 CDADHP [NH3+][C@H]1CCC[C@H](NCc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873213007 729662547 /nfs/dbraw/zinc/66/25/47/729662547.db2.gz UHVRDFZOVUCQEN-RYUDHWBXSA-N 2 3 265.426 1.753 20 0 CDADHP C[C@H]1C[C@@H](NCc2ccc(CC[NH3+])cc2)CC[N@@H+]1C ZINC000817949214 730416422 /nfs/dbraw/zinc/41/64/22/730416422.db2.gz OFGUFHRHDKXDHA-BBRMVZONSA-N 2 3 261.413 1.760 20 0 CDADHP C[C@H]1C[C@@H](NCc2ccc(CC[NH3+])cc2)CC[N@H+]1C ZINC000817949214 730416423 /nfs/dbraw/zinc/41/64/23/730416423.db2.gz OFGUFHRHDKXDHA-BBRMVZONSA-N 2 3 261.413 1.760 20 0 CDADHP F[C@@H]1CCNC[C@@]12CC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC001235405021 914207770 /nfs/dbraw/zinc/20/77/70/914207770.db2.gz ONNYYZQXAKHHED-HUUCEWRRSA-N 2 3 269.408 1.400 20 0 CDADHP F[C@@H]1CCNC[C@@]12CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC001235405021 914207782 /nfs/dbraw/zinc/20/77/82/914207782.db2.gz ONNYYZQXAKHHED-HUUCEWRRSA-N 2 3 269.408 1.400 20 0 CDADHP [NH3+]CCC1CC[NH+](Cc2ccc3c(c2)CNC3)CC1 ZINC001206506487 917850442 /nfs/dbraw/zinc/85/04/42/917850442.db2.gz CNMVPXMDBRIILY-UHFFFAOYSA-N 2 3 259.397 1.851 20 0 CDADHP CCN1CCC(NC(=[NH2+])SCCSC(N)=[NH2+])CC1 ZINC001169229937 927835243 /nfs/dbraw/zinc/83/52/43/927835243.db2.gz MFCCWXAZTPTJLI-UHFFFAOYSA-N 2 3 289.474 1.355 20 0 CDADHP C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(CC[NH3+])cc1 ZINC000817947604 930641952 /nfs/dbraw/zinc/64/19/52/930641952.db2.gz BVTWQXUTEVYRID-XJKSGUPXSA-N 2 3 261.413 1.666 20 0 CDADHP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)(C[NH3+])CC2)C[C@H](C)N1 ZINC001246578497 931937665 /nfs/dbraw/zinc/93/76/65/931937665.db2.gz RGMALCIHNRLVRS-XGUBFFRZSA-N 2 3 253.434 1.966 20 0 CDADHP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)C[C@H](C)N1 ZINC001246578497 931937668 /nfs/dbraw/zinc/93/76/68/931937668.db2.gz RGMALCIHNRLVRS-XGUBFFRZSA-N 2 3 253.434 1.966 20 0 CDADHP C[C@@H]1C[C@@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CCN1 ZINC001246836409 932233086 /nfs/dbraw/zinc/23/30/86/932233086.db2.gz WKJSISKEBMMLEG-VHDGCEQUSA-N 2 3 251.418 1.591 20 0 CDADHP C[C@@H]1C[C@@H](N2CCC([C@H]3CCC[NH2+]3)CC2)CC[NH2+]1 ZINC001246836409 932233095 /nfs/dbraw/zinc/23/30/95/932233095.db2.gz WKJSISKEBMMLEG-VHDGCEQUSA-N 2 3 251.418 1.591 20 0 CDADHP c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc2c1CNC2 ZINC001222629170 941621311 /nfs/dbraw/zinc/62/13/11/941621311.db2.gz CWSGVWQVVDTISF-IYBDPMFKSA-N 2 3 271.408 1.721 20 0 CDADHP c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc2c1CNC2 ZINC001222629170 941621312 /nfs/dbraw/zinc/62/13/12/941621312.db2.gz CWSGVWQVVDTISF-IYBDPMFKSA-N 2 3 271.408 1.721 20 0 CDADHP [NH3+]C12CC(CC[N@@H+]3CCCC[C@]34CCCNC4)(C1)C2 ZINC001235172346 944077547 /nfs/dbraw/zinc/07/75/47/944077547.db2.gz LZFZYZIPMHWGQV-UYSNPLJNSA-N 2 3 263.429 1.866 20 0 CDADHP [NH3+]C12CC(CC[N@H+]3CCCC[C@]34CCCNC4)(C1)C2 ZINC001235172346 944077556 /nfs/dbraw/zinc/07/75/56/944077556.db2.gz LZFZYZIPMHWGQV-UYSNPLJNSA-N 2 3 263.429 1.866 20 0 CDADHP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCC3)CC2)CCN1 ZINC001246363556 948134756 /nfs/dbraw/zinc/13/47/56/948134756.db2.gz FLQQBHUZNYSAEX-ZFWWWQNUSA-N 2 3 265.445 1.981 20 0 CDADHP NC[C@@H]1C[N@@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CCC1(F)F ZINC001246558071 948269867 /nfs/dbraw/zinc/26/98/67/948269867.db2.gz OBHAVQIVLPGYHP-MCIONIFRSA-N 2 3 287.398 1.825 20 0 CDADHP NC[C@@H]1C[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CCC1(F)F ZINC001246558071 948269875 /nfs/dbraw/zinc/26/98/75/948269875.db2.gz OBHAVQIVLPGYHP-MCIONIFRSA-N 2 3 287.398 1.825 20 0 CDADHP [NH3+]C[C@@H]1CN([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CCC1(F)F ZINC001246558071 948269888 /nfs/dbraw/zinc/26/98/88/948269888.db2.gz OBHAVQIVLPGYHP-MCIONIFRSA-N 2 3 287.398 1.825 20 0 CDADHP CC[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CC[C@@]3(N)C2)C[C@H](CC)[NH2+]1 ZINC001246855062 948480999 /nfs/dbraw/zinc/48/09/99/948480999.db2.gz SFLHSSDLSTWPLW-SBJFKYEJSA-N 2 3 251.418 1.719 20 0 CDADHP CC[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CC[C@@]3(N)C2)C[C@H](CC)[NH2+]1 ZINC001246855062 948481005 /nfs/dbraw/zinc/48/10/05/948481005.db2.gz SFLHSSDLSTWPLW-SBJFKYEJSA-N 2 3 251.418 1.719 20 0 CDADHP C[C@@H]1CN(C2CCC3(CCC[NH2+]C3)CC2)C[C@@H]1[NH3+] ZINC001246881268 948499589 /nfs/dbraw/zinc/49/95/89/948499589.db2.gz MBHCNBUBJJUMDS-JLVJUDLZSA-N 2 3 251.418 1.578 20 0 CDADHP CCCC[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CCN1 ZINC001246977106 948554499 /nfs/dbraw/zinc/55/44/99/948554499.db2.gz RRERSYHMLBBLDM-CQJMVSDSSA-N 2 3 265.445 1.966 20 0 CDADHP CCCC[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CCN1 ZINC001246977106 948554503 /nfs/dbraw/zinc/55/45/03/948554503.db2.gz RRERSYHMLBBLDM-CQJMVSDSSA-N 2 3 265.445 1.966 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H]1CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001550349423 965869346 /nfs/dbraw/zinc/86/93/46/965869346.db2.gz OJZGVTURDIQHOI-LEOABGAYSA-N 2 3 281.444 1.060 20 0 CDADHP NC[C@@]12CCC[C@@H]1C[N@H+](CCC1CC[NH2+]CC1)C2 ZINC001549118340 968016696 /nfs/dbraw/zinc/01/66/96/968016696.db2.gz ZQDYTPZMRNGLHC-HUUCEWRRSA-N 2 3 251.418 1.437 20 0 CDADHP NC[C@@]12CCC[C@@H]1C[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC001549118340 968016707 /nfs/dbraw/zinc/01/67/07/968016707.db2.gz ZQDYTPZMRNGLHC-HUUCEWRRSA-N 2 3 251.418 1.437 20 0 CDADHP C[C@@H]1CCNCC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000422974606 359732475 /nfs/dbraw/zinc/73/24/75/359732475.db2.gz FOIBWMGQWPUAAF-BZUAXINKSA-N 2 3 283.460 1.201 20 0 CDADHP C[C@@H]1CCNCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000422974606 359732479 /nfs/dbraw/zinc/73/24/79/359732479.db2.gz FOIBWMGQWPUAAF-BZUAXINKSA-N 2 3 283.460 1.201 20 0 CDADHP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@H]1CCCCN1 ZINC000422740539 296120730 /nfs/dbraw/zinc/12/07/30/296120730.db2.gz MXICICDYKNMQFG-NVXWUHKLSA-N 2 3 296.503 1.380 20 0 CDADHP C([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCN(C2CC2)C1 ZINC000250649727 370192700 /nfs/dbraw/zinc/19/27/00/370192700.db2.gz LRYBRXFQUQNEGZ-IWCQGFGOSA-N 2 3 277.456 1.981 20 0 CDADHP C[C@@H]1C[C@H](CNC[C@H]2[NH2+]CCCC2(C)C)CC[NH2+]1 ZINC000414927450 370362591 /nfs/dbraw/zinc/36/25/91/370362591.db2.gz LXGCXDXAOKKJIA-MGPQQGTHSA-N 2 3 253.434 1.742 20 0 CDADHP C[N@H+]1CC=C(C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000297592291 371457591 /nfs/dbraw/zinc/45/75/91/371457591.db2.gz JHTUIXHGYFYMTL-UHFFFAOYSA-N 2 3 286.423 1.902 20 0 CDADHP C[N@@H+]1CC=C(C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000297592291 371457595 /nfs/dbraw/zinc/45/75/95/371457595.db2.gz JHTUIXHGYFYMTL-UHFFFAOYSA-N 2 3 286.423 1.902 20 0 CDADHP CCO[C@@H](CC[NH+](C)C)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192942064 373660038 /nfs/dbraw/zinc/66/00/38/373660038.db2.gz QAQQHXBJFPIEOH-UYTSQGDYSA-N 2 3 283.460 1.558 20 0 CDADHP CCO[C@@H](CC[NH+](C)C)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192942064 373660042 /nfs/dbraw/zinc/66/00/42/373660042.db2.gz QAQQHXBJFPIEOH-UYTSQGDYSA-N 2 3 283.460 1.558 20 0 CDADHP C[C@]1(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC[NH2+]C1 ZINC000647543892 390987472 /nfs/dbraw/zinc/98/74/72/390987472.db2.gz UDMSWPMNDKRKIH-XHSDSOJGSA-N 2 3 265.445 1.698 20 0 CDADHP C[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)[C@@H]1CCCC[NH2+]1 ZINC000422982881 392274407 /nfs/dbraw/zinc/27/44/07/392274407.db2.gz XXOYUJCQBMHYOK-XHSDSOJGSA-N 2 3 283.460 1.344 20 0 CDADHP C[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1CCCC[NH2+]1 ZINC000422982881 392274409 /nfs/dbraw/zinc/27/44/09/392274409.db2.gz XXOYUJCQBMHYOK-XHSDSOJGSA-N 2 3 283.460 1.344 20 0 CDADHP C[NH+]1CCC(CC[NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000229936934 289876738 /nfs/dbraw/zinc/87/67/38/289876738.db2.gz LYUWYGCITUIFHP-LSDHHAIUSA-N 2 3 253.434 1.825 20 0 CDADHP [NH3+]C[C@]12CCC[C@H]1CN(Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000652352708 424283803 /nfs/dbraw/zinc/28/38/03/424283803.db2.gz PFTDQIHCXQXJJT-ROUUACIJSA-N 2 3 285.435 1.893 20 0 CDADHP C1[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C12CC[NH2+]CC2 ZINC000666955401 483019558 /nfs/dbraw/zinc/01/95/58/483019558.db2.gz GKKATKVTOAOMRA-XQLPTFJDSA-N 2 3 263.429 1.639 20 0 CDADHP CN(C)C1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207479791 899733686 /nfs/dbraw/zinc/73/36/86/899733686.db2.gz OALPRSVSWWVHQN-UHFFFAOYSA-N 2 3 253.434 1.744 20 0 CDADHP [NH3+]C[C@@H]1CCCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001206649306 937470654 /nfs/dbraw/zinc/47/06/54/937470654.db2.gz TZMOIQOGTPWZAG-HNNXBMFYSA-N 2 3 273.424 1.893 20 0 CDADHP C1[NH2+]CC12C[C@@H](N[C@H]1CC[NH2+]C3(CCCCC3)C1)CS2 ZINC001246514776 931565112 /nfs/dbraw/zinc/56/51/12/931565112.db2.gz REIWSRXWQDHABN-UONOGXRCSA-N 2 3 295.496 1.878 20 0 CDADHP CC[NH+]1CCC(C[NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925485980 932892547 /nfs/dbraw/zinc/89/25/47/932892547.db2.gz FMHNWPLRVIEBPT-CQSZACIVSA-N 2 3 251.418 1.593 20 0 CDADHP c1cc2n(c1CN1CCC3(CCC[NH2+]C3)CC1)CC[NH2+]C2 ZINC001222452632 941596989 /nfs/dbraw/zinc/59/69/89/941596989.db2.gz IIEHUEJXIJDVDO-UHFFFAOYSA-N 2 3 288.439 1.557 20 0 CDADHP CCN([C@H]1CCOC1)C1CC[NH+](CCCC[NH3+])CC1 ZINC001235888825 944309838 /nfs/dbraw/zinc/30/98/38/944309838.db2.gz PTXYXQSBUNHKHO-HNNXBMFYSA-N 2 3 269.433 1.301 20 0 CDADHP c1ccc(C[N@@H+](CCC2C[NH2+]C2)C2CCNCC2)cc1 ZINC001236285744 944444677 /nfs/dbraw/zinc/44/46/77/944444677.db2.gz FAMDEBUNQLKUMC-UHFFFAOYSA-N 2 3 273.424 1.850 20 0 CDADHP c1ccc(C[N@H+](CCC2C[NH2+]C2)C2CCNCC2)cc1 ZINC001236285744 944444680 /nfs/dbraw/zinc/44/46/80/944444680.db2.gz FAMDEBUNQLKUMC-UHFFFAOYSA-N 2 3 273.424 1.850 20 0 CDADHP C[C@@H]1CC[C@@H](NCC[C@H]2C[NH2+]Cc3cccn3C2)C[NH2+]1 ZINC001246136267 947980323 /nfs/dbraw/zinc/98/03/23/947980323.db2.gz DECYJSIDIPINFJ-QLFBSQMISA-N 2 3 276.428 1.328 20 0 CDADHP C[C@H]1CC[C@H](NCCCCC[NH+]2CCCC2)C[NH2+]1 ZINC001246270820 948069691 /nfs/dbraw/zinc/06/96/91/948069691.db2.gz NFZYYLFABKVHHP-GJZGRUSLSA-N 2 3 253.434 1.983 20 0 CDADHP C[C@H]1C[N@@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)C[C@H]1CN ZINC001246542439 948244989 /nfs/dbraw/zinc/24/49/89/948244989.db2.gz PHCOYDGPRCKUHH-XGUBFFRZSA-N 2 3 251.418 1.435 20 0 CDADHP C[C@H]1C[N@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)C[C@H]1CN ZINC001246542439 948245000 /nfs/dbraw/zinc/24/50/00/948245000.db2.gz PHCOYDGPRCKUHH-XGUBFFRZSA-N 2 3 251.418 1.435 20 0 CDADHP C[C@@H]1CC[N@@H+](C2CCC3(C[NH2+]C3)CC2)C[C@H]1CN ZINC001246551418 948256122 /nfs/dbraw/zinc/25/61/22/948256122.db2.gz MTDALXDQGKNOJQ-CHWSQXEVSA-N 2 3 251.418 1.435 20 0 CDADHP C[C@@H]1CC[N@H+](C2CCC3(C[NH2+]C3)CC2)C[C@H]1CN ZINC001246551418 948256130 /nfs/dbraw/zinc/25/61/30/948256130.db2.gz MTDALXDQGKNOJQ-CHWSQXEVSA-N 2 3 251.418 1.435 20 0 CDADHP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CCC[C@@H]1C[NH3+] ZINC001246573741 948295482 /nfs/dbraw/zinc/29/54/82/948295482.db2.gz ZCYFRMFRDDTWPI-SUJAAXHWSA-N 2 3 265.445 1.966 20 0 CDADHP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CCC[C@@H]1C[NH3+] ZINC001246573741 948295489 /nfs/dbraw/zinc/29/54/89/948295489.db2.gz ZCYFRMFRDDTWPI-SUJAAXHWSA-N 2 3 265.445 1.966 20 0 CDADHP C[C@H]1C[C@@H](N2CCC([C@@H]3CCCC[NH2+]3)CC2)CC[NH2+]1 ZINC001246658079 948391880 /nfs/dbraw/zinc/39/18/80/948391880.db2.gz TWZRGZZWUZMMRV-BPUTZDHNSA-N 2 3 265.445 1.981 20 0 CDADHP C[C@H]1C[C@@H]([NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)CCN1 ZINC001246658079 948391873 /nfs/dbraw/zinc/39/18/73/948391873.db2.gz TWZRGZZWUZMMRV-BPUTZDHNSA-N 2 3 265.445 1.981 20 0 CDADHP C[NH2+]C1CCN(C2CCC3(CCC[NH2+]C3)CC2)CC1 ZINC001246804248 948450541 /nfs/dbraw/zinc/45/05/41/948450541.db2.gz FINMRIHALDXNLS-UHFFFAOYSA-N 2 3 265.445 1.983 20 0 CDADHP C[C@@H]1C[C@H](N2CCN(CC3CC[NH+](C)CC3)CC2)CC[NH2+]1 ZINC001246948517 948536247 /nfs/dbraw/zinc/53/62/47/948536247.db2.gz KOJHZOBZQPASJP-NVXWUHKLSA-N 2 3 294.487 1.086 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H]1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC001550350183 965872527 /nfs/dbraw/zinc/87/25/27/965872527.db2.gz JPPXVTCZELJUKX-VNQPRFMTSA-N 2 3 265.445 1.554 20 0 CDADHP C[C@]12C[NH2+]C[C@@H]1CN(CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001550437694 965940962 /nfs/dbraw/zinc/94/09/62/965940962.db2.gz ZDRRDYCRDZICFL-KMVIYXDESA-N 2 3 263.429 1.448 20 0 CDADHP CC1(C)[C@@H]2NCCC[C@H]2[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC001553024824 967420607 /nfs/dbraw/zinc/42/06/07/967420607.db2.gz QZPAYVBNTVZKJN-MGPQQGTHSA-N 2 3 251.418 1.352 20 0 CDADHP CC[NH+]1CCC(C[NH2+]C2(CCOC)CCNCC2)CC1 ZINC001577764377 1171736257 /nfs/dbraw/zinc/73/62/57/1171736257.db2.gz ZCHNNGVCGZPPEI-UHFFFAOYSA-N 2 3 283.460 1.467 20 0 CDADHP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](C)[C@H]2CCN)CC[NH2+]1 ZINC000650711814 398155816 /nfs/dbraw/zinc/15/58/16/398155816.db2.gz FKLDZWXJDNYDNF-KBUPBQIOSA-N 2 3 253.434 1.824 20 0 CDADHP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](C)[C@H]2CCN)CC[NH2+]1 ZINC000650711814 398155818 /nfs/dbraw/zinc/15/58/18/398155818.db2.gz FKLDZWXJDNYDNF-KBUPBQIOSA-N 2 3 253.434 1.824 20 0 CDADHP [NH3+]C[C@@H]1CN(CCC2CC[NH2+]CC2)CC[C@@H]1C(F)(F)F ZINC000629560978 363007609 /nfs/dbraw/zinc/00/76/09/363007609.db2.gz GHWQZSKIZBMIQY-OLZOCXBDSA-N 2 3 293.377 1.835 20 0 CDADHP C[C@H](CCCC[NH3+])[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000422914188 359670831 /nfs/dbraw/zinc/67/08/31/359670831.db2.gz SBXXQVRDDFPWBL-PMPSAXMXSA-N 2 3 285.476 1.983 20 0 CDADHP NC[C@H]1CCC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000423129191 359752719 /nfs/dbraw/zinc/75/27/19/359752719.db2.gz DZYZSDLIWSONOR-CABCVRRESA-N 2 3 253.434 1.970 20 0 CDADHP C[C@H]1C[C@@H](CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000414656958 241305197 /nfs/dbraw/zinc/30/51/97/241305197.db2.gz NXIGKYMSSVXDCI-JZAZDWQXSA-N 2 3 251.418 1.589 20 0 CDADHP C(CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000420376370 376342013 /nfs/dbraw/zinc/34/20/13/376342013.db2.gz QQRGHINPKDJKOJ-ZMSDIMECSA-N 2 3 277.456 1.935 20 0 CDADHP C(CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000420376370 376342015 /nfs/dbraw/zinc/34/20/15/376342015.db2.gz QQRGHINPKDJKOJ-ZMSDIMECSA-N 2 3 277.456 1.935 20 0 CDADHP CCC[NH+]1CCC(NCCOCC[NH+](C)C)CC1 ZINC000219316614 140166325 /nfs/dbraw/zinc/16/63/25/140166325.db2.gz PECZPAYADRLSJP-UHFFFAOYSA-N 2 3 257.422 1.029 20 0 CDADHP CN(CC1CC1)C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261681155 140374276 /nfs/dbraw/zinc/37/42/76/140374276.db2.gz IITFBLPRYLHQIC-MRXNPFEDSA-N 2 3 265.445 1.650 20 0 CDADHP CN(CC1CC1)C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261681155 140374277 /nfs/dbraw/zinc/37/42/77/140374277.db2.gz IITFBLPRYLHQIC-MRXNPFEDSA-N 2 3 265.445 1.650 20 0 CDADHP CC1(C[NH2+]Cc2ccc3c(c2)CNCC3)CC[NH2+]CC1 ZINC000656785875 413664527 /nfs/dbraw/zinc/66/45/27/413664527.db2.gz KIDLNABAQLSFAR-UHFFFAOYSA-N 2 3 273.424 1.812 20 0 CDADHP C[C@H](C[C@H]1CCCCC[NH2+]1)NCCOCC[NH+](C)C ZINC000235477145 298892645 /nfs/dbraw/zinc/89/26/45/298892645.db2.gz XTDIWBKGTCLMGW-HUUCEWRRSA-N 2 3 271.449 1.465 20 0 CDADHP C[C@@H]1C[C@@H](CNC[C@@H]2[NH2+]CCCC2(C)C)CC[NH2+]1 ZINC000414927452 297255323 /nfs/dbraw/zinc/25/53/23/297255323.db2.gz LXGCXDXAOKKJIA-RDBSUJKOSA-N 2 3 253.434 1.742 20 0 CDADHP CN1CCC([NH+]2CCC(CC[N@H+](C)CCN)CC2)CC1 ZINC000262692821 536368015 /nfs/dbraw/zinc/36/80/15/536368015.db2.gz APRTZQFXQMAIRE-UHFFFAOYSA-N 2 3 282.476 1.073 20 0 CDADHP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCN)CC2)CC1 ZINC000262692821 536368017 /nfs/dbraw/zinc/36/80/17/536368017.db2.gz APRTZQFXQMAIRE-UHFFFAOYSA-N 2 3 282.476 1.073 20 0 CDADHP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCNC2)CC1 ZINC000903986014 626173968 /nfs/dbraw/zinc/17/39/68/626173968.db2.gz DVMHONHVMJDQLI-SHARSMKWSA-N 2 3 251.418 1.735 20 0 CDADHP C[C@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)C[C@H]1C[NH3+] ZINC000864055457 735104737 /nfs/dbraw/zinc/10/47/37/735104737.db2.gz PYQHCAIKSFPPID-CMPLNLGQSA-N 2 3 265.426 1.420 20 0 CDADHP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cc3c(s2)CCNC3)CC1 ZINC001205221699 919179770 /nfs/dbraw/zinc/17/97/70/919179770.db2.gz WNYPYKJSYHZFNG-HNNXBMFYSA-N 2 3 295.452 1.070 20 0 CDADHP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc3c(s2)CCNC3)CC1 ZINC001205221699 919179779 /nfs/dbraw/zinc/17/97/79/919179779.db2.gz WNYPYKJSYHZFNG-HNNXBMFYSA-N 2 3 295.452 1.070 20 0 CDADHP CC[NH+](CC)Cc1cc(N[C@H](N)CCC[NH3+])ccc1OC ZINC001170904286 930715127 /nfs/dbraw/zinc/71/51/27/930715127.db2.gz NCGJERFJODJDRE-INIZCTEOSA-N 2 3 294.443 1.973 20 0 CDADHP C[C@H]1CC[C@H](C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)C[NH2+]1 ZINC001246095598 930980813 /nfs/dbraw/zinc/98/08/13/930980813.db2.gz LIRYCBONCMFMOH-MGLUKCQKSA-N 2 3 265.445 1.979 20 0 CDADHP C[NH2+]C1CCC([N@@H+]2CCC[C@]23CCCNC3)CC1 ZINC001246611365 932085017 /nfs/dbraw/zinc/08/50/17/932085017.db2.gz STGWHIQMSOSYGF-NRXISQOPSA-N 2 3 251.418 1.735 20 0 CDADHP C[NH2+]C1CCC([N@H+]2CCC[C@]23CCCNC3)CC1 ZINC001246611365 932085025 /nfs/dbraw/zinc/08/50/25/932085025.db2.gz STGWHIQMSOSYGF-NRXISQOPSA-N 2 3 251.418 1.735 20 0 CDADHP C[NH2+]C1CCC(N2CCC[C@]23CCC[NH2+]C3)CC1 ZINC001246611365 932085033 /nfs/dbraw/zinc/08/50/33/932085033.db2.gz STGWHIQMSOSYGF-NRXISQOPSA-N 2 3 251.418 1.735 20 0 CDADHP F[C@@H]1CCNC[C@]12CC[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC001235400022 944144546 /nfs/dbraw/zinc/14/45/46/944144546.db2.gz BQTGGERFGUWSOQ-KFWWJZLASA-N 2 3 269.408 1.400 20 0 CDADHP F[C@@H]1CCNC[C@]12CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC001235400022 944144548 /nfs/dbraw/zinc/14/45/48/944144548.db2.gz BQTGGERFGUWSOQ-KFWWJZLASA-N 2 3 269.408 1.400 20 0 CDADHP C[C@@]1([NH2+]C2CCC3(CCC[NH2+]C3)CC2)CCNC1 ZINC001246096555 947946373 /nfs/dbraw/zinc/94/63/73/947946373.db2.gz KRAGRMUDMHSKAK-SHARSMKWSA-N 2 3 251.418 1.640 20 0 CDADHP C[C@H]1CC[C@@H](C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)C[NH2+]1 ZINC001246095580 947947728 /nfs/dbraw/zinc/94/77/28/947947728.db2.gz LIRYCBONCMFMOH-BLNMRFBMSA-N 2 3 265.445 1.979 20 0 CDADHP C[C@H]1CC[C@H](CNC2CCC([NH+](C)C)CC2)[NH2+]C1 ZINC001246103297 947953884 /nfs/dbraw/zinc/95/38/84/947953884.db2.gz HINRARQZBPSSFT-FGZQJIAISA-N 2 3 253.434 1.837 20 0 CDADHP C[C@@H]1CC[C@H](CN[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)[NH2+]C1 ZINC001246106285 947956159 /nfs/dbraw/zinc/95/61/59/947956159.db2.gz PEXCTYRTSWLDND-QKPAOTATSA-N 2 3 265.445 1.886 20 0 CDADHP C1CC12CNC[C@H]2[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246136409 947980934 /nfs/dbraw/zinc/98/09/34/947980934.db2.gz WXWIHCFBBMVEKT-CQSZACIVSA-N 2 3 263.429 1.640 20 0 CDADHP CC[C@@H]1C[C@@H](NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)C[C@H](CC)[NH2+]1 ZINC001246154701 947996071 /nfs/dbraw/zinc/99/60/71/947996071.db2.gz BVPJUSNSVSCXOS-CVWVJMLGSA-N 2 3 295.471 1.510 20 0 CDADHP [NH3+]CCCNCCC[NH2+][C@@H]1CCCN(C2CCCC2)C1 ZINC001246455041 948182376 /nfs/dbraw/zinc/18/23/76/948182376.db2.gz VWNADAIEVLKSGM-OAHLLOKOSA-N 2 3 282.476 1.312 20 0 CDADHP N[C@@H]1CCC[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246549430 948255745 /nfs/dbraw/zinc/25/57/45/948255745.db2.gz XDMISUFXPBRYOX-KGLIPLIRSA-N 2 3 251.418 1.722 20 0 CDADHP N[C@@H]1CCC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246549430 948255755 /nfs/dbraw/zinc/25/57/55/948255755.db2.gz XDMISUFXPBRYOX-KGLIPLIRSA-N 2 3 251.418 1.722 20 0 CDADHP CC(C)[C@H]1C[C@H](N2CCC(CC[NH3+])CC2)CC[NH2+]1 ZINC001246579324 948303294 /nfs/dbraw/zinc/30/32/94/948303294.db2.gz IIHZQBGTWVHJDS-HUUCEWRRSA-N 2 3 253.434 1.824 20 0 CDADHP C1NCC12CC[N@@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246628733 948365781 /nfs/dbraw/zinc/36/57/81/948365781.db2.gz CZXFRTOVLNDUKU-UHFFFAOYSA-N 2 3 263.429 1.594 20 0 CDADHP C1NCC12CC[N@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246628733 948365788 /nfs/dbraw/zinc/36/57/88/948365788.db2.gz CZXFRTOVLNDUKU-UHFFFAOYSA-N 2 3 263.429 1.594 20 0 CDADHP C1[NH2+]CC12CCN(C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246628733 948365795 /nfs/dbraw/zinc/36/57/95/948365795.db2.gz CZXFRTOVLNDUKU-UHFFFAOYSA-N 2 3 263.429 1.594 20 0 CDADHP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CCN1 ZINC001246679692 948402804 /nfs/dbraw/zinc/40/28/04/948402804.db2.gz ZLTIDLJBIVNCKP-FXUDXRNXSA-N 2 3 265.445 1.839 20 0 CDADHP C[C@@H]1C[C@H]([N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CCN1 ZINC001246679692 948402809 /nfs/dbraw/zinc/40/28/09/948402809.db2.gz ZLTIDLJBIVNCKP-FXUDXRNXSA-N 2 3 265.445 1.839 20 0 CDADHP C[C@@H]1CC[C@@H](N2CCC(N3CCC([NH3+])CC3)CC2)C[NH2+]1 ZINC001246967657 948546829 /nfs/dbraw/zinc/54/68/29/948546829.db2.gz IQQCOBPFNIWELQ-CZUORRHYSA-N 2 3 280.460 1.014 20 0 CDADHP CC[NH+](CC)C1CCC([NH2+]C[C@H](O)CNC(C)(C)C)CC1 ZINC001253409620 951893632 /nfs/dbraw/zinc/89/36/32/951893632.db2.gz XDSDTBPGQXRSGB-GPANFISMSA-N 2 3 299.503 1.978 20 0 CDADHP C[C@@H](CCC[NH3+])[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423526576 295854486 /nfs/dbraw/zinc/85/44/86/295854486.db2.gz LQGLIRQVHYLKDE-MGWQBKBZSA-N 2 3 265.445 1.857 20 0 CDADHP C[C@H]1C[C@@H](CN2CCC([NH2+]CC3CC3)CC2)CC[NH2+]1 ZINC000414658663 241305930 /nfs/dbraw/zinc/30/59/30/241305930.db2.gz LRXUOZDBFGAMGR-ZFWWWQNUSA-N 2 3 265.445 1.839 20 0 CDADHP C[N@H+](CC1CC1)C[C@H]1CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000420306834 244056427 /nfs/dbraw/zinc/05/64/27/244056427.db2.gz AWUBSMCPCIHJIT-GDBMZVCRSA-N 2 3 265.445 1.650 20 0 CDADHP C[N@@H+](CC1CC1)C[C@H]1CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000420306834 244056436 /nfs/dbraw/zinc/05/64/36/244056436.db2.gz AWUBSMCPCIHJIT-GDBMZVCRSA-N 2 3 265.445 1.650 20 0 CDADHP CN(CC1CC1)C[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420306834 244056439 /nfs/dbraw/zinc/05/64/39/244056439.db2.gz AWUBSMCPCIHJIT-GDBMZVCRSA-N 2 3 265.445 1.650 20 0 CDADHP CN(CC1CC1)C[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420306834 244056445 /nfs/dbraw/zinc/05/64/45/244056445.db2.gz AWUBSMCPCIHJIT-GDBMZVCRSA-N 2 3 265.445 1.650 20 0 CDADHP CN(CC[C@@H]1CC[NH2+]C1)CC[C@@H]1CCCC[N@@H+]1C ZINC000420324867 244086832 /nfs/dbraw/zinc/08/68/32/244086832.db2.gz VMKDMQQGXYLHOF-GJZGRUSLSA-N 2 3 253.434 1.792 20 0 CDADHP CN(CC[C@@H]1CC[NH2+]C1)CC[C@@H]1CCCC[N@H+]1C ZINC000420324867 244086836 /nfs/dbraw/zinc/08/68/36/244086836.db2.gz VMKDMQQGXYLHOF-GJZGRUSLSA-N 2 3 253.434 1.792 20 0 CDADHP C1=C(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC[NH2+]C1 ZINC000423359713 392541704 /nfs/dbraw/zinc/54/17/04/392541704.db2.gz VJHHBXMSWVQMNQ-ARFHVFGLSA-N 2 3 263.429 1.807 20 0 CDADHP CC(C)N(C)CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401148844 424427758 /nfs/dbraw/zinc/42/77/58/424427758.db2.gz WBUDZRSKFYODIU-RRFJBIMHSA-N 2 3 253.434 1.694 20 0 CDADHP c1cc(N2CC[NH2+]CC2)cc(N[C@@H]2CC[NH2+]C23CCC3)n1 ZINC000925721785 617853056 /nfs/dbraw/zinc/85/30/56/617853056.db2.gz GIBJOIBPFSKKEY-CQSZACIVSA-N 2 3 287.411 1.188 20 0 CDADHP [NH3+][C@@H]1C[C@H](NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C12CCC2 ZINC000925727883 617980096 /nfs/dbraw/zinc/98/00/96/617980096.db2.gz BMENSISZZGRTPC-MJBXVCDLSA-N 2 3 279.428 1.005 20 0 CDADHP N[C@@H]1C[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C12CCC2 ZINC000925727883 617980113 /nfs/dbraw/zinc/98/01/13/617980113.db2.gz BMENSISZZGRTPC-MJBXVCDLSA-N 2 3 279.428 1.005 20 0 CDADHP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@]3(C2)CCCCN3)CC[NH2+]1 ZINC000904431424 626291217 /nfs/dbraw/zinc/29/12/17/626291217.db2.gz ZFBYAQTWPUQJDB-RBSFLKMASA-N 2 3 251.418 1.593 20 0 CDADHP C[C@@H]1C[C@H](C[N@H+]2CC[C@@]3(C2)CCCCN3)CC[NH2+]1 ZINC000904431424 626291221 /nfs/dbraw/zinc/29/12/21/626291221.db2.gz ZFBYAQTWPUQJDB-RBSFLKMASA-N 2 3 251.418 1.593 20 0 CDADHP C[C@H](N[C@@H]1CC[NH2+]C12CCCC2)C1CC[NH2+]CC1 ZINC000925729020 736461355 /nfs/dbraw/zinc/46/13/55/736461355.db2.gz NWBHJZILKDVQPH-GXTWGEPZSA-N 2 3 251.418 1.639 20 0 CDADHP C[NH+](C)C1CCC([NH2+][C@H]2CCNC23CCC3)CC1 ZINC000863543474 737227385 /nfs/dbraw/zinc/22/73/85/737227385.db2.gz ZLHJOHPPCKIMMB-RUXDESIVSA-N 2 3 251.418 1.733 20 0 CDADHP [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293252 737805101 /nfs/dbraw/zinc/80/51/01/737805101.db2.gz JWBMKVVDDKAHFV-RRFJBIMHSA-N 2 3 281.444 1.395 20 0 CDADHP CC(C)N1CCN(CC[NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC001168298361 908918953 /nfs/dbraw/zinc/91/89/53/908918953.db2.gz OWTNFPMDFQROGX-UHFFFAOYSA-N 2 3 296.503 1.475 20 0 CDADHP CN(C)C1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)CC[NH+](C)CC1 ZINC001169095718 927693612 /nfs/dbraw/zinc/69/36/12/927693612.db2.gz RZGOCXCLPYTHLL-PHZGNYQRSA-N 2 3 294.487 1.227 20 0 CDADHP CC[NH+]1CCC(CN2CC3(CCN3CC[NH+](C)C)C2)CC1 ZINC001276496399 940098539 /nfs/dbraw/zinc/09/85/39/940098539.db2.gz AXVNJADVFXXERT-UHFFFAOYSA-N 2 3 294.487 1.040 20 0 CDADHP CC1(CN2CCCC[C@]23CCC[NH2+]C3)CC[NH2+]CC1 ZINC001235173732 944078838 /nfs/dbraw/zinc/07/88/38/944078838.db2.gz QXIDSSMPEKAYFD-MRXNPFEDSA-N 2 3 265.445 1.984 20 0 CDADHP CC1(C[N@@H+]2CCCC[C@]23CCCNC3)CC[NH2+]CC1 ZINC001235173732 944078847 /nfs/dbraw/zinc/07/88/47/944078847.db2.gz QXIDSSMPEKAYFD-MRXNPFEDSA-N 2 3 265.445 1.984 20 0 CDADHP CC1(C[N@H+]2CCCC[C@]23CCCNC3)CC[NH2+]CC1 ZINC001235173732 944078855 /nfs/dbraw/zinc/07/88/55/944078855.db2.gz QXIDSSMPEKAYFD-MRXNPFEDSA-N 2 3 265.445 1.984 20 0 CDADHP C[NH+]1CCC(C)(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001237380100 944738699 /nfs/dbraw/zinc/73/86/99/944738699.db2.gz FGQZNKAHXMXXNO-LSDHHAIUSA-N 2 3 265.445 1.792 20 0 CDADHP C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246139502 947983021 /nfs/dbraw/zinc/98/30/21/947983021.db2.gz DAWZCRJMVRJRHL-LSDHHAIUSA-N 2 3 292.471 1.125 20 0 CDADHP CC[C@@H]1C[C@@H](N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)C[C@H](CC)[NH2+]1 ZINC001246254963 948058884 /nfs/dbraw/zinc/05/88/84/948058884.db2.gz IEGQNJXZNXXTCJ-BQJWPVKWSA-N 2 3 295.471 1.796 20 0 CDADHP [NH3+]C[C@@H]1CN([C@H]2CCC3(C[NH2+]C3)C2)CCC1(F)F ZINC001246556132 948264943 /nfs/dbraw/zinc/26/49/43/948264943.db2.gz DDXJRKZXACDKJR-MNOVXSKESA-N 2 3 259.344 1.044 20 0 CDADHP NC[C@@H]1C[N@@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCC1(F)F ZINC001246558073 948268944 /nfs/dbraw/zinc/26/89/44/948268944.db2.gz OBHAVQIVLPGYHP-MGPQQGTHSA-N 2 3 287.398 1.825 20 0 CDADHP NC[C@@H]1C[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCC1(F)F ZINC001246558073 948268952 /nfs/dbraw/zinc/26/89/52/948268952.db2.gz OBHAVQIVLPGYHP-MGPQQGTHSA-N 2 3 287.398 1.825 20 0 CDADHP [NH3+]C[C@@H]1CN([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCC1(F)F ZINC001246558073 948268958 /nfs/dbraw/zinc/26/89/58/948268958.db2.gz OBHAVQIVLPGYHP-MGPQQGTHSA-N 2 3 287.398 1.825 20 0 CDADHP c1ccc(C[C@H]2C[C@@H]([N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CCN2)cc1 ZINC001246622527 948356534 /nfs/dbraw/zinc/35/65/34/948356534.db2.gz HRZLVDFPOJGFDZ-MHORFTMASA-N 2 3 285.435 1.501 20 0 CDADHP c1ccc(C[C@H]2C[C@@H]([N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CCN2)cc1 ZINC001246622527 948356539 /nfs/dbraw/zinc/35/65/39/948356539.db2.gz HRZLVDFPOJGFDZ-MHORFTMASA-N 2 3 285.435 1.501 20 0 CDADHP C[NH2+]C1CCC(N2CCOC[C@]3(CCC[NH2+]C3)C2)CC1 ZINC001246634121 948358519 /nfs/dbraw/zinc/35/85/19/948358519.db2.gz AGGRTLUPEQUSFF-GPANFISMSA-N 2 3 281.444 1.219 20 0 CDADHP CC[C@@H]1C[C@@H](N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246632611 948368988 /nfs/dbraw/zinc/36/89/88/948368988.db2.gz YLWRQPKOBFZIDQ-NQNKBUKLSA-N 2 3 295.471 1.606 20 0 CDADHP C1CC[N@H+](C2CCNCC2)[C@@H](C2CC[NH2+]CC2)C1 ZINC001246642510 948379319 /nfs/dbraw/zinc/37/93/19/948379319.db2.gz BYLPFGZOZQILKI-OAHLLOKOSA-N 2 3 251.418 1.593 20 0 CDADHP C1CC[N@@H+](C2CCNCC2)[C@@H](C2CC[NH2+]CC2)C1 ZINC001246642510 948379327 /nfs/dbraw/zinc/37/93/27/948379327.db2.gz BYLPFGZOZQILKI-OAHLLOKOSA-N 2 3 251.418 1.593 20 0 CDADHP CC1(C)CNCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000634733496 358072335 /nfs/dbraw/zinc/07/23/35/358072335.db2.gz GZIFDNJAGCMNSY-YJNKXOJESA-N 2 3 265.445 1.742 20 0 CDADHP NC[C@@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000423085520 359749379 /nfs/dbraw/zinc/74/93/79/359749379.db2.gz KCBNFQBLBBGYEZ-GOEBONIOSA-N 2 3 265.445 1.968 20 0 CDADHP CC(C)C[C@@H](N)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000414773372 366621746 /nfs/dbraw/zinc/62/17/46/366621746.db2.gz SSGXRZRXUCNFEZ-HUUCEWRRSA-N 2 3 253.434 1.681 20 0 CDADHP CC(C)[C@H](C[NH3+])CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000634991157 360616032 /nfs/dbraw/zinc/61/60/32/360616032.db2.gz RYUCCIBTGHGNMH-CABCVRRESA-N 2 3 253.434 1.681 20 0 CDADHP CC(C)[C@H](CN)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000634991157 360616033 /nfs/dbraw/zinc/61/60/33/360616033.db2.gz RYUCCIBTGHGNMH-CABCVRRESA-N 2 3 253.434 1.681 20 0 CDADHP C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1cccc2c1CC[NH2+]C2 ZINC000635011589 360655679 /nfs/dbraw/zinc/65/56/79/360655679.db2.gz RAAOADIQRRSWBG-JCURWCKSSA-N 2 3 289.423 1.174 20 0 CDADHP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000635003188 360645829 /nfs/dbraw/zinc/64/58/29/360645829.db2.gz AKUYNJZMYAOHRZ-KBUPBQIOSA-N 2 3 251.418 1.720 20 0 CDADHP C[C@@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000422883737 245370352 /nfs/dbraw/zinc/37/03/52/245370352.db2.gz QYVMOCRUDZQXDX-WCXIOVBPSA-N 2 3 297.487 1.840 20 0 CDADHP C[C@@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000422883737 245370359 /nfs/dbraw/zinc/37/03/59/245370359.db2.gz QYVMOCRUDZQXDX-WCXIOVBPSA-N 2 3 297.487 1.840 20 0 CDADHP C[C@H](C[NH3+])CN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423299672 392496770 /nfs/dbraw/zinc/49/67/70/392496770.db2.gz QJVIGTXRTAFUTA-ZIAGYGMSSA-N 2 3 279.428 1.872 20 0 CDADHP C(CN1CCCCC1)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257674880 270307143 /nfs/dbraw/zinc/30/71/43/270307143.db2.gz JLXXQIRFHKSWTA-UHFFFAOYSA-N 2 3 265.445 1.938 20 0 CDADHP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CC1CC[NH2+]CC1 ZINC000261944937 289322688 /nfs/dbraw/zinc/32/26/88/289322688.db2.gz NFSWYBMPJUSYFX-OAGGEKHMSA-N 2 3 281.444 1.170 20 0 CDADHP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCNC1 ZINC000583434866 325173692 /nfs/dbraw/zinc/17/36/92/325173692.db2.gz IOMMAUNWAMBZKM-NJVJYBDUSA-N 2 3 251.418 1.352 20 0 CDADHP C([C@@H]1CCCC[NH2+]C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000903752713 626074122 /nfs/dbraw/zinc/07/41/22/626074122.db2.gz UQJXRFDMMXMASA-ZBFHGGJFSA-N 2 3 265.445 1.840 20 0 CDADHP C[C@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1CCN ZINC000903932872 626152783 /nfs/dbraw/zinc/15/27/83/626152783.db2.gz WUFKFWOMJKCAQW-NIOBXDJOSA-N 2 3 265.445 1.966 20 0 CDADHP C[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1CCN ZINC000903932872 626152785 /nfs/dbraw/zinc/15/27/85/626152785.db2.gz WUFKFWOMJKCAQW-NIOBXDJOSA-N 2 3 265.445 1.966 20 0 CDADHP CN1C[C@@H]2CC[C@@H]([NH2+]C3CCC(C[NH3+])CC3)[C@H]2C1 ZINC001578520903 1171938610 /nfs/dbraw/zinc/93/86/10/1171938610.db2.gz IUFTZJNUCBKFGW-NNVWEFMASA-N 2 3 251.418 1.434 20 0 CDADHP COc1ccc([C@@H](C[NH3+])CN2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923481646 740546935 /nfs/dbraw/zinc/54/69/35/740546935.db2.gz TXHZBCBBQKQNAB-HIFRSBDPSA-N 2 3 277.412 1.408 20 0 CDADHP N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817948646 741294482 /nfs/dbraw/zinc/29/44/82/741294482.db2.gz JDGVYRKDVXOVKN-JKSUJKDBSA-N 2 3 261.413 1.937 20 0 CDADHP C[C@H]1C[NH2+]CCCN1CC1CC2(C1)CC[NH2+]CC2 ZINC001206257883 913900429 /nfs/dbraw/zinc/90/04/29/913900429.db2.gz LMTHZRSJSAUYLO-ZDUSSCGKSA-N 2 3 251.418 1.450 20 0 CDADHP CCCN1C[C@@H]2C[NH+](CC3CC[NH2+]CC3)C[C@H]2C1 ZINC001207442259 898973257 /nfs/dbraw/zinc/97/32/57/898973257.db2.gz VZDIGXHQJKXVNA-HUUCEWRRSA-N 2 3 251.418 1.260 20 0 CDADHP C[C@H]1C[N@H+](C[C@H](O)CNC(C)(C)C)CCC[C@H]1C[NH3+] ZINC001246025869 930875876 /nfs/dbraw/zinc/87/58/76/930875876.db2.gz DHEHDHCECATWJG-MELADBBJSA-N 2 3 271.449 1.042 20 0 CDADHP C[C@H]1C[N@@H+](C[C@H](O)CNC(C)(C)C)CCC[C@H]1C[NH3+] ZINC001246025869 930875883 /nfs/dbraw/zinc/87/58/83/930875883.db2.gz DHEHDHCECATWJG-MELADBBJSA-N 2 3 271.449 1.042 20 0 CDADHP C[C@H]1CN(C[C@H](O)C[NH2+]C(C)(C)C)CCC[C@H]1C[NH3+] ZINC001246025869 930875890 /nfs/dbraw/zinc/87/58/90/930875890.db2.gz DHEHDHCECATWJG-MELADBBJSA-N 2 3 271.449 1.042 20 0 CDADHP [NH3+]CCCCCC[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235405486 944146580 /nfs/dbraw/zinc/14/65/80/944146580.db2.gz PEWXUBUFKPUOKS-ZIAGYGMSSA-N 2 3 257.397 1.529 20 0 CDADHP [NH3+]CCCCCC[N@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235405486 944146585 /nfs/dbraw/zinc/14/65/85/944146585.db2.gz PEWXUBUFKPUOKS-ZIAGYGMSSA-N 2 3 257.397 1.529 20 0 CDADHP [NH3+]CCCCCCN1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235405486 944146587 /nfs/dbraw/zinc/14/65/87/944146587.db2.gz PEWXUBUFKPUOKS-ZIAGYGMSSA-N 2 3 257.397 1.529 20 0 CDADHP CCCC[C@@H]1C[C@H](NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246159074 947997791 /nfs/dbraw/zinc/99/77/91/947997791.db2.gz WZBGAACOKQOJKN-JZAWBGDQSA-N 2 3 295.471 1.511 20 0 CDADHP CC(C)(C)[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)CCN1 ZINC001246276683 948071414 /nfs/dbraw/zinc/07/14/14/948071414.db2.gz FIADKKYSKIEHQF-MJBXVCDLSA-N 2 3 253.434 1.742 20 0 CDADHP CC[C@H]1C[C@H]([N@@H+]2CCCC3(CC[NH2+]CC3)C2)CCN1 ZINC001246525367 948227188 /nfs/dbraw/zinc/22/71/88/948227188.db2.gz WNTDZBSHEPEOEJ-LSDHHAIUSA-N 2 3 265.445 1.983 20 0 CDADHP CC[C@H]1C[C@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)CCN1 ZINC001246525367 948227196 /nfs/dbraw/zinc/22/71/96/948227196.db2.gz WNTDZBSHEPEOEJ-LSDHHAIUSA-N 2 3 265.445 1.983 20 0 CDADHP C[N@H+](CCC1CC[NH2+]CC1)[C@@H]1CCNC(C)(C)C1 ZINC001246793221 948441770 /nfs/dbraw/zinc/44/17/70/948441770.db2.gz BLHUDCFIVDMERZ-CQSZACIVSA-N 2 3 253.434 1.839 20 0 CDADHP C[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCNC(C)(C)C1 ZINC001246793221 948441771 /nfs/dbraw/zinc/44/17/71/948441771.db2.gz BLHUDCFIVDMERZ-CQSZACIVSA-N 2 3 253.434 1.839 20 0 CDADHP C1CC2(C[C@H]1[N@H+]1C[C@H]3CNCC[C@@H]3C1)CC[NH2+]CC2 ZINC001246844431 948474268 /nfs/dbraw/zinc/47/42/68/948474268.db2.gz JGAPNYLLRPFLQT-KFWWJZLASA-N 2 3 263.429 1.450 20 0 CDADHP C1CC2(C[C@H]1[N@@H+]1C[C@H]3CNCC[C@@H]3C1)CC[NH2+]CC2 ZINC001246844431 948474274 /nfs/dbraw/zinc/47/42/74/948474274.db2.gz JGAPNYLLRPFLQT-KFWWJZLASA-N 2 3 263.429 1.450 20 0 CDADHP C1CC2(C[C@@H]1[N@@H+]1C[C@H]3CC[C@@H](C1)NC3)CC[NH2+]CC2 ZINC001246861247 948487619 /nfs/dbraw/zinc/48/76/19/948487619.db2.gz APSXPAJXYJVWNN-SOUVJXGZSA-N 2 3 263.429 1.593 20 0 CDADHP C1CC2(C[C@@H]1[N@H+]1C[C@H]3CC[C@@H](C1)NC3)CC[NH2+]CC2 ZINC001246861247 948487626 /nfs/dbraw/zinc/48/76/26/948487626.db2.gz APSXPAJXYJVWNN-SOUVJXGZSA-N 2 3 263.429 1.593 20 0 CDADHP CC[NH+](CC)[C@H]1CC[C@H]([NH2+]C[C@H](O)CNC(C)(C)C)CC1 ZINC001253412899 951896983 /nfs/dbraw/zinc/89/69/83/951896983.db2.gz XDSDTBPGQXRSGB-JYJNAYRXSA-N 2 3 299.503 1.978 20 0 CDADHP [NH3+]CC1(c2ccccc2)CC(N[C@H]2CCC[C@H]2[NH3+])C1 ZINC001550944151 966298672 /nfs/dbraw/zinc/29/86/72/966298672.db2.gz JYFKUMJBEXXPFH-FYRZTWFESA-N 2 3 259.397 1.515 20 0 CDADHP C[C@H]([NH2+][C@@H]1CCNC12CCC2)C1CC[NH+](C)CC1 ZINC000629521473 362136061 /nfs/dbraw/zinc/13/60/61/362136061.db2.gz SVDPNEMEWXZXNC-GXTWGEPZSA-N 2 3 251.418 1.591 20 0 CDADHP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](N(C)C)CC2)CC[NH2+]1 ZINC000414730261 297251768 /nfs/dbraw/zinc/25/17/68/297251768.db2.gz AODQVQBXPUGFEQ-QLFBSQMISA-N 2 3 253.434 1.791 20 0 CDADHP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](N(C)C)CC2)CC[NH2+]1 ZINC000414730261 297251769 /nfs/dbraw/zinc/25/17/69/297251769.db2.gz AODQVQBXPUGFEQ-QLFBSQMISA-N 2 3 253.434 1.791 20 0 CDADHP N[C@@H]1CCC[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000569987745 363269242 /nfs/dbraw/zinc/26/92/42/363269242.db2.gz FRPIROHFZAOUCA-KFWWJZLASA-N 2 3 269.433 1.083 20 0 CDADHP N[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000569987745 363269250 /nfs/dbraw/zinc/26/92/50/363269250.db2.gz FRPIROHFZAOUCA-KFWWJZLASA-N 2 3 269.433 1.083 20 0 CDADHP CC(C)N1CCN(CCC[NH+]2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000564988158 359987899 /nfs/dbraw/zinc/98/78/99/359987899.db2.gz TXNYDTXXWFLZND-INIZCTEOSA-N 2 3 296.503 1.462 20 0 CDADHP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000635003190 360646078 /nfs/dbraw/zinc/64/60/78/360646078.db2.gz AKUYNJZMYAOHRZ-ZQDZILKHSA-N 2 3 251.418 1.720 20 0 CDADHP [NH3+][C@@H]1CCCCC[C@@H]1Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000635010724 360654059 /nfs/dbraw/zinc/65/40/59/360654059.db2.gz KZZIZNJQJXYRLC-CABCVRRESA-N 2 3 289.427 1.563 20 0 CDADHP C[NH+]1CCC(NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000635024369 360682221 /nfs/dbraw/zinc/68/22/21/360682221.db2.gz XEWBKILIQINRTP-UHFFFAOYSA-N 2 3 259.397 1.516 20 0 CDADHP CC[NH+](CC)CCCC1CCN(C[C@](C)(O)C[NH2+]C)CC1 ZINC000566919908 370841068 /nfs/dbraw/zinc/84/10/68/370841068.db2.gz XXIRLNWYLNNDLJ-QGZVFWFLSA-N 2 3 299.503 1.791 20 0 CDADHP CC[NH+](CC)CCCC1CC[NH+](C[C@](C)(O)CNC)CC1 ZINC000566919908 370841072 /nfs/dbraw/zinc/84/10/72/370841072.db2.gz XXIRLNWYLNNDLJ-QGZVFWFLSA-N 2 3 299.503 1.791 20 0 CDADHP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCN3CCCCC3)C[C@@H]21 ZINC000420316143 244072484 /nfs/dbraw/zinc/07/24/84/244072484.db2.gz XWNWDSPTPXWWDA-HRCADAONSA-N 2 3 265.445 1.922 20 0 CDADHP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCN3CCCCC3)C[C@@H]21 ZINC000420316143 244072487 /nfs/dbraw/zinc/07/24/87/244072487.db2.gz XWNWDSPTPXWWDA-HRCADAONSA-N 2 3 265.445 1.922 20 0 CDADHP C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1cccc(C[NH+](C)C)c1 ZINC000422804652 245277162 /nfs/dbraw/zinc/27/71/62/245277162.db2.gz HZUUXXBNZJPRHU-IAOVAPTHSA-N 2 3 291.439 1.590 20 0 CDADHP C(CN(C1CC1)C1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000647814772 391802778 /nfs/dbraw/zinc/80/27/78/391802778.db2.gz FHGLBBLHSNJEAR-CYBMUJFWSA-N 2 3 251.418 1.593 20 0 CDADHP NC[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665300060 414044790 /nfs/dbraw/zinc/04/47/90/414044790.db2.gz XQJLNVHKJHOIOV-HZPDHXFCSA-N 2 3 265.445 1.825 20 0 CDADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000663495962 414293482 /nfs/dbraw/zinc/29/34/82/414293482.db2.gz BITFJUWQINSWGV-KBXIAJHMSA-N 2 3 251.418 1.293 20 0 CDADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000663495962 414293491 /nfs/dbraw/zinc/29/34/91/414293491.db2.gz BITFJUWQINSWGV-KBXIAJHMSA-N 2 3 251.418 1.293 20 0 CDADHP C[C@@H]1C[NH2+]CC[C@@H]1C[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000663498452 414296613 /nfs/dbraw/zinc/29/66/13/414296613.db2.gz SXAWRCGGPHMDJC-MCIONIFRSA-N 2 3 251.418 1.496 20 0 CDADHP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC1CC[NH2+]CC1 ZINC000261944938 289331593 /nfs/dbraw/zinc/33/15/93/289331593.db2.gz NFSWYBMPJUSYFX-OWCLPIDISA-N 2 3 281.444 1.170 20 0 CDADHP C(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)CN1CCCC1 ZINC000401051724 482531368 /nfs/dbraw/zinc/53/13/68/482531368.db2.gz YMNIRMXBXKJIBE-RRFJBIMHSA-N 2 3 251.418 1.450 20 0 CDADHP CC[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1N ZINC000903874219 626128602 /nfs/dbraw/zinc/12/86/02/626128602.db2.gz VJMFBCSCQKLQCG-IWNKAIHXSA-N 2 3 251.418 1.576 20 0 CDADHP CC[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1N ZINC000903874219 626128605 /nfs/dbraw/zinc/12/86/05/626128605.db2.gz VJMFBCSCQKLQCG-IWNKAIHXSA-N 2 3 251.418 1.576 20 0 CDADHP CC[C@@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1[NH3+] ZINC000903874219 626128606 /nfs/dbraw/zinc/12/86/06/626128606.db2.gz VJMFBCSCQKLQCG-IWNKAIHXSA-N 2 3 251.418 1.576 20 0 CDADHP NCC1(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)CC1 ZINC000904459509 626302445 /nfs/dbraw/zinc/30/24/45/626302445.db2.gz SZNPGMGODBTGFY-UHFFFAOYSA-N 2 3 273.424 1.718 20 0 CDADHP CCC[NH+]1CCC(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925494528 748561506 /nfs/dbraw/zinc/56/15/06/748561506.db2.gz KJSLQPQEHIXYFR-DMRKSPOLSA-N 2 3 277.456 1.694 20 0 CDADHP CN1C[C@@H]2CC[C@H]([NH2+]C3CCC(C[NH3+])CC3)[C@@H]2C1 ZINC001578520905 1167686230 /nfs/dbraw/zinc/68/62/30/1167686230.db2.gz IUFTZJNUCBKFGW-OGONIBCJSA-N 2 3 251.418 1.434 20 0 CDADHP C[C@@]1(N)CCC[N@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001204940130 902725663 /nfs/dbraw/zinc/72/56/63/902725663.db2.gz VTOSMYJISUUAOE-CQSZACIVSA-N 2 3 251.418 1.579 20 0 CDADHP C[C@@]1(N)CCC[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001204940130 902725675 /nfs/dbraw/zinc/72/56/75/902725675.db2.gz VTOSMYJISUUAOE-CQSZACIVSA-N 2 3 251.418 1.579 20 0 CDADHP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@@]3(CNC(=O)O3)C1)C2 ZINC001172128521 911220887 /nfs/dbraw/zinc/22/08/87/911220887.db2.gz RYFNLJVZQZPUKF-ORIJERBGSA-N 2 3 293.411 1.576 20 0 CDADHP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@@]3(CNC(=O)O3)C1)C2 ZINC001172128521 911220896 /nfs/dbraw/zinc/22/08/96/911220896.db2.gz RYFNLJVZQZPUKF-ORIJERBGSA-N 2 3 293.411 1.576 20 0 CDADHP F[C@@]1(CN[C@@H]2CCC3(C2)CC[NH2+]CC3)CCCC[NH2+]C1 ZINC001246113828 931061832 /nfs/dbraw/zinc/06/18/32/931061832.db2.gz OALRRQHFRBYPMP-ZBFHGGJFSA-N 2 3 283.435 1.980 20 0 CDADHP C[C@@H]1CC[C@@H](CNC2CCC3(CC[NH2+]C3)CC2)[NH2+]C1 ZINC001246115224 931062155 /nfs/dbraw/zinc/06/21/55/931062155.db2.gz RGNUVVKPFHYGST-CIDNJEQPSA-N 2 3 265.445 1.886 20 0 CDADHP C[C@@H]1CC[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C[C@H]1CN ZINC001246552557 931735161 /nfs/dbraw/zinc/73/51/61/931735161.db2.gz QDRVEONXCNIMTK-FPCVCCKLSA-N 2 3 265.445 1.825 20 0 CDADHP C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C[C@H]1CN ZINC001246552557 931735156 /nfs/dbraw/zinc/73/51/56/931735156.db2.gz QDRVEONXCNIMTK-FPCVCCKLSA-N 2 3 265.445 1.825 20 0 CDADHP [NH3+]C[C@@]1(F)CCCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246553351 931745433 /nfs/dbraw/zinc/74/54/33/931745433.db2.gz XZPDHMCCOMMCJA-XJFOESAGSA-N 2 3 255.381 1.422 20 0 CDADHP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)C[C@H](C)N1 ZINC001246572813 931886930 /nfs/dbraw/zinc/88/69/30/931886930.db2.gz XWQOLUOUYWMMPY-UXXRCYHCSA-N 2 3 253.434 1.822 20 0 CDADHP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)C[C@H](C)N1 ZINC001246572813 931886943 /nfs/dbraw/zinc/88/69/43/931886943.db2.gz XWQOLUOUYWMMPY-UXXRCYHCSA-N 2 3 253.434 1.822 20 0 CDADHP CC[NH+]1CCC(C[NH+]2CCC(N(C)C)CC2)CC1 ZINC001208593333 940345343 /nfs/dbraw/zinc/34/53/43/940345343.db2.gz HBJLPEHUZIEWNF-UHFFFAOYSA-N 2 3 253.434 1.744 20 0 CDADHP CC[NH+]1CCC(CN2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CC1 ZINC001208602174 940347448 /nfs/dbraw/zinc/34/74/48/940347448.db2.gz ZVNRUBPBGMUMOU-HZPDHXFCSA-N 2 3 265.445 1.602 20 0 CDADHP c1ccc([C@@]23C[NH2+]C[C@@H]2CN(CC[C@@H]2CCC[NH2+]C2)C3)cc1 ZINC001236013128 944371114 /nfs/dbraw/zinc/37/11/14/944371114.db2.gz XWKRZJOHVOIGIV-UHOSZYNNSA-N 2 3 299.462 1.849 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C[C@@H]2C)C[C@H](C)N1 ZINC001246096819 947946402 /nfs/dbraw/zinc/94/64/02/947946402.db2.gz LSGWTPIVWONKPT-RMEBNNNOSA-N 2 3 253.434 1.741 20 0 CDADHP C[C@@H]1CC[C@H](NCC[C@H]2CCOC23CC[NH2+]CC3)C[NH2+]1 ZINC001246135570 947979854 /nfs/dbraw/zinc/97/98/54/947979854.db2.gz BIPICMRJUNUTTH-ILXRZTDVSA-N 2 3 281.444 1.265 20 0 CDADHP C[C@@H]1CC[C@H](NCC[C@H]2C[NH2+]Cc3cccn3C2)C[NH2+]1 ZINC001246136264 947980823 /nfs/dbraw/zinc/98/08/23/947980823.db2.gz DECYJSIDIPINFJ-ILXRZTDVSA-N 2 3 276.428 1.328 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]CCCC2CC[NH+](C)CC2)CCN1 ZINC001246357789 948130910 /nfs/dbraw/zinc/13/09/10/948130910.db2.gz ANBUAAVEEIRIQW-HIFRSBDPSA-N 2 3 253.434 1.839 20 0 CDADHP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(F)(C[NH3+])CC1)C2 ZINC001246622914 948356940 /nfs/dbraw/zinc/35/69/40/948356940.db2.gz AGWAXZFNZDVZFV-ITGUQSILSA-N 2 3 255.381 1.374 20 0 CDADHP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(F)(C[NH3+])CC1)C2 ZINC001246622914 948356945 /nfs/dbraw/zinc/35/69/45/948356945.db2.gz AGWAXZFNZDVZFV-ITGUQSILSA-N 2 3 255.381 1.374 20 0 CDADHP C[NH2+]CC[C@H](C)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246677587 948401205 /nfs/dbraw/zinc/40/12/05/948401205.db2.gz JUNYKWHUBHLWNX-KKUMJFAQSA-N 2 3 253.434 1.696 20 0 CDADHP C[NH+](C)C1CC(C[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)C1 ZINC001553024478 964485306 /nfs/dbraw/zinc/48/53/06/964485306.db2.gz FKUQHIFJPVQNMR-IPOFZDNWSA-N 2 3 265.445 1.693 20 0 CDADHP C[C@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCOCC3)CC2)CCN1 ZINC001551381495 966593693 /nfs/dbraw/zinc/59/36/93/966593693.db2.gz WIUTYAIXIGJQGJ-ORBLRFAASA-N 2 3 295.471 1.750 20 0 CDADHP COC1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000351622543 361811655 /nfs/dbraw/zinc/81/16/55/361811655.db2.gz VXNYCKURVQCBTN-UHFFFAOYSA-N 2 3 283.460 1.513 20 0 CDADHP C[C@@H]1C[C@H](CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC[NH2+]1 ZINC000414742262 366051484 /nfs/dbraw/zinc/05/14/84/366051484.db2.gz FXXMCKUDYNBWKV-UHDSXZAQSA-N 2 3 295.471 1.558 20 0 CDADHP CC(C)[C@H](CN)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000634996619 360628477 /nfs/dbraw/zinc/62/84/77/360628477.db2.gz PKMHTLHYVBPMQN-BZUAXINKSA-N 2 3 283.460 1.436 20 0 CDADHP CC(C)[C@H](C[NH3+])CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000634996619 360628480 /nfs/dbraw/zinc/62/84/80/360628480.db2.gz PKMHTLHYVBPMQN-BZUAXINKSA-N 2 3 283.460 1.436 20 0 CDADHP COc1ccc([C@H](C[NH3+])CN2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000420315570 244073075 /nfs/dbraw/zinc/07/30/75/244073075.db2.gz RZWOWLKUGCINIV-GOEBONIOSA-N 2 3 291.439 1.798 20 0 CDADHP C[NH+](C)C1CCN(CCN[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422820285 245296008 /nfs/dbraw/zinc/29/60/08/245296008.db2.gz PUUJUBHGTIYCRP-HOCLYGCPSA-N 2 3 282.476 1.120 20 0 CDADHP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000422820285 245296010 /nfs/dbraw/zinc/29/60/10/245296010.db2.gz PUUJUBHGTIYCRP-HOCLYGCPSA-N 2 3 282.476 1.120 20 0 CDADHP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CNC1 ZINC000422879713 245367436 /nfs/dbraw/zinc/36/74/36/245367436.db2.gz KTTBWAWDJNJUQF-ZNMIVQPWSA-N 2 3 267.461 1.942 20 0 CDADHP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CNC1 ZINC000422879713 245367438 /nfs/dbraw/zinc/36/74/38/245367438.db2.gz KTTBWAWDJNJUQF-ZNMIVQPWSA-N 2 3 267.461 1.942 20 0 CDADHP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCN3CCCCC3)C[C@H]21 ZINC000420316141 376328437 /nfs/dbraw/zinc/32/84/37/376328437.db2.gz XWNWDSPTPXWWDA-ARFHVFGLSA-N 2 3 265.445 1.922 20 0 CDADHP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCN3CCCCC3)C[C@H]21 ZINC000420316141 376328443 /nfs/dbraw/zinc/32/84/43/376328443.db2.gz XWNWDSPTPXWWDA-ARFHVFGLSA-N 2 3 265.445 1.922 20 0 CDADHP C[C@H]1C[C@@H](C[NH2+][C@@H]2CNC[C@H]2c2ccccc2)CC[NH2+]1 ZINC000415053170 391744718 /nfs/dbraw/zinc/74/47/18/391744718.db2.gz OIWIJAWGALRFLT-NXNVCVFFSA-N 2 3 273.424 1.720 20 0 CDADHP C[C@@H]1CCNCC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000423087918 392333750 /nfs/dbraw/zinc/33/37/50/392333750.db2.gz PCEXYWXYVUICDK-CZUORRHYSA-N 2 3 265.445 1.839 20 0 CDADHP C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000423167187 392406806 /nfs/dbraw/zinc/40/68/06/392406806.db2.gz DSFNHZVDVINVBQ-QLFBSQMISA-N 2 3 253.434 1.696 20 0 CDADHP C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000423167187 392406812 /nfs/dbraw/zinc/40/68/12/392406812.db2.gz DSFNHZVDVINVBQ-QLFBSQMISA-N 2 3 253.434 1.696 20 0 CDADHP COCC1(C[NH2+][C@@H]2CCCC[C@@H]2CN)CC[NH2+]CC1 ZINC000423407269 392556889 /nfs/dbraw/zinc/55/68/89/392556889.db2.gz MFUNGGWNFRLXCV-ZIAGYGMSSA-N 2 3 269.433 1.110 20 0 CDADHP NCCC[N@H+](CC[C@H]1CC[NH2+]C1)CC1CCCC1 ZINC000420314905 303377655 /nfs/dbraw/zinc/37/76/55/303377655.db2.gz LQDNBMCQSJOKIE-CQSZACIVSA-N 2 3 253.434 1.827 20 0 CDADHP NCCC[N@@H+](CC[C@H]1CC[NH2+]C1)CC1CCCC1 ZINC000420314905 303377657 /nfs/dbraw/zinc/37/76/57/303377657.db2.gz LQDNBMCQSJOKIE-CQSZACIVSA-N 2 3 253.434 1.827 20 0 CDADHP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCNC3(CCC3)C2)CC[NH2+]1 ZINC000666993964 483038391 /nfs/dbraw/zinc/03/83/91/483038391.db2.gz XWLOGROKLPOSPX-HZSPNIEDSA-N 2 3 251.418 1.639 20 0 CDADHP c1cc(N2CC[NH+](CC3CC[NH2+]CC3)CC2)ccn1 ZINC000682702675 483334785 /nfs/dbraw/zinc/33/47/85/483334785.db2.gz CVRVGAGUVACJDT-UHFFFAOYSA-N 2 3 260.385 1.203 20 0 CDADHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000903463706 625996318 /nfs/dbraw/zinc/99/63/18/625996318.db2.gz JPPXVTCZELJUKX-KBMXLJTQSA-N 2 3 265.445 1.554 20 0 CDADHP C[C@@H]1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]1C[NH3+] ZINC000903757730 626088050 /nfs/dbraw/zinc/08/80/50/626088050.db2.gz GPELQEDUZYOJHF-QLFBSQMISA-N 2 3 281.444 1.062 20 0 CDADHP C[N@@H+]1CCC[C@@H](CNCc2cc3c(s2)CC[NH2+]C3)C1 ZINC001578529494 1171944519 /nfs/dbraw/zinc/94/45/19/1171944519.db2.gz WEEGEBRSVQQPMG-LBPRGKRZSA-N 2 3 279.453 1.825 20 0 CDADHP C[N@H+]1CCC[C@@H](CNCc2cc3c(s2)CC[NH2+]C3)C1 ZINC001578529494 1171944530 /nfs/dbraw/zinc/94/45/30/1171944530.db2.gz WEEGEBRSVQQPMG-LBPRGKRZSA-N 2 3 279.453 1.825 20 0 CDADHP CSC1(CN[C@@H]2CCC[NH2+][C@H]2C)CC[NH+](C)CC1 ZINC000925669360 751558165 /nfs/dbraw/zinc/55/81/65/751558165.db2.gz SSPGEDDZQMCDOD-QWHCGFSZSA-N 2 3 271.474 1.544 20 0 CDADHP CC(C)(C)[C@]1(C[NH3+])CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923413504 751893522 /nfs/dbraw/zinc/89/35/22/751893522.db2.gz GNPQHKYMFFARKW-BBRMVZONSA-N 2 3 281.444 1.062 20 0 CDADHP N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817948643 752101984 /nfs/dbraw/zinc/10/19/84/752101984.db2.gz JDGVYRKDVXOVKN-CVEARBPZSA-N 2 3 261.413 1.937 20 0 CDADHP N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925817199 750260137 /nfs/dbraw/zinc/26/01/37/750260137.db2.gz NKENBPLGCUBHOR-IAGOWNOFSA-N 2 3 288.439 1.061 20 0 CDADHP C[C@H]([NH3+])[C@@H]1CCCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923286959 753679227 /nfs/dbraw/zinc/67/92/27/753679227.db2.gz BWIDQFFLISZHJB-KHEOEIQESA-N 2 3 265.445 1.966 20 0 CDADHP CCCN(Cc1ccc(C[NH3+])cc1)C[C@@H]1CC[NH2+]C1 ZINC001236833464 916679949 /nfs/dbraw/zinc/67/99/49/916679949.db2.gz BQOPGXUZUNUDAL-MRXNPFEDSA-N 2 3 261.413 1.967 20 0 CDADHP C[C@H]1CCN(Cc2nc3c(s2)C[NH2+]CC3)CC[C@H]1C[NH3+] ZINC001205638386 923801047 /nfs/dbraw/zinc/80/10/47/923801047.db2.gz NDMFURQFPCMLLX-RYUDHWBXSA-N 2 3 294.468 1.596 20 0 CDADHP CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1C[NH3+])C2 ZINC001169108140 927755954 /nfs/dbraw/zinc/75/59/54/927755954.db2.gz ORFXWHBNRKQKAS-PHZGNYQRSA-N 2 3 259.397 1.860 20 0 CDADHP C1CC2(C[C@H]1[N@@H+]1CC[C@@]3(C1)CCCNC3)CC[NH2+]CC2 ZINC001246601781 932064108 /nfs/dbraw/zinc/06/41/08/932064108.db2.gz GZRZAGRHYRDQRR-RDJZCZTQSA-N 2 3 277.456 1.984 20 0 CDADHP C1CC2(C[C@H]1[N@H+]1CC[C@@]3(C1)CCCNC3)CC[NH2+]CC2 ZINC001246601781 932064116 /nfs/dbraw/zinc/06/41/16/932064116.db2.gz GZRZAGRHYRDQRR-RDJZCZTQSA-N 2 3 277.456 1.984 20 0 CDADHP C[C@H]1CN(Cc2ccc3c(c2)CC[NH2+]C3)C[C@H]1C[NH3+] ZINC001205136111 939826564 /nfs/dbraw/zinc/82/65/64/939826564.db2.gz OUJZSYPQFHRAJB-BLLLJJGKSA-N 2 3 259.397 1.359 20 0 CDADHP Cc1c[nH+]ccc1N1CCN(CC2CC[NH2+]CC2)CC1 ZINC001207442347 940197658 /nfs/dbraw/zinc/19/76/58/940197658.db2.gz YSBSIWRNVKZENP-UHFFFAOYSA-N 2 3 274.412 1.512 20 0 CDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219349090 941333797 /nfs/dbraw/zinc/33/37/97/941333797.db2.gz BWVKLAYMUHQJKT-HNNXBMFYSA-N 2 3 292.427 1.579 20 0 CDADHP CC1(C[N@@H+]2CC[C@@]3(C2)CCCNC3)CC[NH2+]CC1 ZINC001222141611 941569000 /nfs/dbraw/zinc/56/90/00/941569000.db2.gz OKTFLYPZMAHXGK-HNNXBMFYSA-N 2 3 251.418 1.452 20 0 CDADHP CC1(C[N@H+]2CC[C@@]3(C2)CCCNC3)CC[NH2+]CC1 ZINC001222141611 941569003 /nfs/dbraw/zinc/56/90/03/941569003.db2.gz OKTFLYPZMAHXGK-HNNXBMFYSA-N 2 3 251.418 1.452 20 0 CDADHP C([C@H]1[C@@H]2C[NH2+]C[C@H]12)[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236373132 944486111 /nfs/dbraw/zinc/48/61/11/944486111.db2.gz UCTOCDVNFGKTCH-QMCVQRASSA-N 2 3 277.456 1.696 20 0 CDADHP C([C@H]1[C@@H]2C[NH2+]C[C@H]12)[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236373132 944486114 /nfs/dbraw/zinc/48/61/14/944486114.db2.gz UCTOCDVNFGKTCH-QMCVQRASSA-N 2 3 277.456 1.696 20 0 CDADHP C([C@@H]1CC[NH2+]C1)N1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236950703 944623248 /nfs/dbraw/zinc/62/32/48/944623248.db2.gz OYRUKQXGXFRBNR-MRXNPFEDSA-N 2 3 265.445 1.698 20 0 CDADHP CN1CCC[C@@H]([NH2+]C(C)(C)CCNCCC(C)(C)[NH3+])CC1 ZINC001254510525 947474902 /nfs/dbraw/zinc/47/49/02/947474902.db2.gz XJLWGASRFIKIKT-OAHLLOKOSA-N 2 3 298.519 1.946 20 0 CDADHP C[C@@H]1C[NH2+]CCC[C@H]1C[NH2+][C@H]1CCNC(C)(C)C1 ZINC001246098191 947949032 /nfs/dbraw/zinc/94/90/32/947949032.db2.gz PWMHSQAJVMITCZ-RDBSUJKOSA-N 2 3 253.434 1.742 20 0 CDADHP C[C@@H]1C[C@H]([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246132681 947978154 /nfs/dbraw/zinc/97/81/54/947978154.db2.gz UCJQLZHCPUTJTL-MCIONIFRSA-N 2 3 251.418 1.639 20 0 CDADHP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CCN1 ZINC001246142238 947985026 /nfs/dbraw/zinc/98/50/26/947985026.db2.gz BUNLDXYEDOJFOF-QRTUWBSPSA-N 2 3 251.418 1.352 20 0 CDADHP CC[C@H]1CC(NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)C[C@H](CC)[NH2+]1 ZINC001246154698 947995424 /nfs/dbraw/zinc/99/54/24/947995424.db2.gz BVPJUSNSVSCXOS-CUINURIISA-N 2 3 295.471 1.510 20 0 CDADHP NCCC[N@H+](C1CCCCC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246175069 948008490 /nfs/dbraw/zinc/00/84/90/948008490.db2.gz GSUYRZSJBVJIMB-HNNXBMFYSA-N 2 3 280.460 1.064 20 0 CDADHP NCCC[N@@H+](C1CCCCC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246175069 948008498 /nfs/dbraw/zinc/00/84/98/948008498.db2.gz GSUYRZSJBVJIMB-HNNXBMFYSA-N 2 3 280.460 1.064 20 0 CDADHP CN1C[C@@H]2C[N@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]2C1 ZINC001255680620 948071610 /nfs/dbraw/zinc/07/16/10/948071610.db2.gz CIMGYNIJWUENND-GJZITSJHSA-N 2 3 263.429 1.495 20 0 CDADHP CN1C[C@@H]2C[N@@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]2C1 ZINC001255680620 948071617 /nfs/dbraw/zinc/07/16/17/948071617.db2.gz CIMGYNIJWUENND-GJZITSJHSA-N 2 3 263.429 1.495 20 0 CDADHP CN1C[C@@H]2C[NH+](C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C[C@@H]2C1 ZINC001255680620 948071626 /nfs/dbraw/zinc/07/16/26/948071626.db2.gz CIMGYNIJWUENND-GJZITSJHSA-N 2 3 263.429 1.495 20 0 CDADHP CN1C[C@@H]2C[NH+](C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C[C@@H]2C1 ZINC001255680620 948071635 /nfs/dbraw/zinc/07/16/35/948071635.db2.gz CIMGYNIJWUENND-GJZITSJHSA-N 2 3 263.429 1.495 20 0 CDADHP CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@](C)([NH3+])CC1)C2 ZINC001246552910 948257856 /nfs/dbraw/zinc/25/78/56/948257856.db2.gz QCHYLSULPDVOIL-CBBWQLFWSA-N 2 3 251.418 1.815 20 0 CDADHP CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@](C)([NH3+])CC1)C2 ZINC001246552910 948257862 /nfs/dbraw/zinc/25/78/62/948257862.db2.gz QCHYLSULPDVOIL-CBBWQLFWSA-N 2 3 251.418 1.815 20 0 CDADHP C[C@H]1C[C@H]([NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)CCN1 ZINC001246658084 948391765 /nfs/dbraw/zinc/39/17/65/948391765.db2.gz TWZRGZZWUZMMRV-IMJJTQAJSA-N 2 3 265.445 1.981 20 0 CDADHP C[C@H]1C[C@H](N2CCC([C@@H]3CCCC[NH2+]3)CC2)CC[NH2+]1 ZINC001246658084 948391768 /nfs/dbraw/zinc/39/17/68/948391768.db2.gz TWZRGZZWUZMMRV-IMJJTQAJSA-N 2 3 265.445 1.981 20 0 CDADHP CCCC[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CCN1 ZINC001246977108 948554643 /nfs/dbraw/zinc/55/46/43/948554643.db2.gz RRERSYHMLBBLDM-GCSSGZNBSA-N 2 3 265.445 1.966 20 0 CDADHP CCCC[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CCN1 ZINC001246977108 948554649 /nfs/dbraw/zinc/55/46/49/948554649.db2.gz RRERSYHMLBBLDM-GCSSGZNBSA-N 2 3 265.445 1.966 20 0 CDADHP C[NH+](C)C1CC(C[NH2+][C@@H]2[C@H]3CCCN[C@H]3C2(C)C)C1 ZINC001553024479 964486241 /nfs/dbraw/zinc/48/62/41/964486241.db2.gz FKUQHIFJPVQNMR-MMCPYJTDSA-N 2 3 265.445 1.693 20 0 CDADHP [NH3+]Cc1ccc(CN2C[C@H]3CCC[C@@]3(C[NH3+])C2)cc1 ZINC001550705385 966161402 /nfs/dbraw/zinc/16/14/02/966161402.db2.gz WJAIYGODAZSHMZ-HZPDHXFCSA-N 2 3 259.397 1.706 20 0 CDADHP [NH3+][C@@H]1CC[C@H]2CN(Cc3cc4c(s3)CC[NH2+]C4)C[C@H]12 ZINC000873201019 969922268 /nfs/dbraw/zinc/92/22/68/969922268.db2.gz JCLQOFSNIJBZMQ-LEWSCRJBSA-N 2 3 277.437 1.563 20 0 CDADHP CC(C)C[C@H](N)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000414649989 365547057 /nfs/dbraw/zinc/54/70/57/365547057.db2.gz CQSLLHHYWYUCRW-LSDHHAIUSA-N 2 3 253.434 1.824 20 0 CDADHP C(C1CC[NH2+]CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040694420 358235627 /nfs/dbraw/zinc/23/56/27/358235627.db2.gz POUITHJLQYUAOF-UHFFFAOYSA-N 2 3 265.445 1.936 20 0 CDADHP C(C1CC[NH2+]CC1)[NH+]1CCC(N2CCCCC2)CC1 ZINC000040694420 358235628 /nfs/dbraw/zinc/23/56/28/358235628.db2.gz POUITHJLQYUAOF-UHFFFAOYSA-N 2 3 265.445 1.936 20 0 CDADHP CC[NH+](CC)CCOCCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000349667244 360929086 /nfs/dbraw/zinc/92/90/86/360929086.db2.gz PFWXUGYVZFWJLP-ARFHVFGLSA-N 2 3 285.476 1.663 20 0 CDADHP CC[NH+](CC)CCOCCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000349667244 360929092 /nfs/dbraw/zinc/92/90/92/360929092.db2.gz PFWXUGYVZFWJLP-ARFHVFGLSA-N 2 3 285.476 1.663 20 0 CDADHP CC[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCCNCC1 ZINC000420306042 244055335 /nfs/dbraw/zinc/05/53/35/244055335.db2.gz HFSLJNSZDXNEEP-CABCVRRESA-N 2 3 253.434 1.840 20 0 CDADHP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCCNCC1 ZINC000420306042 244055337 /nfs/dbraw/zinc/05/53/37/244055337.db2.gz HFSLJNSZDXNEEP-CABCVRRESA-N 2 3 253.434 1.840 20 0 CDADHP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CNC[C@H]2c2ccccc2)CC[NH2+]1 ZINC000415053172 391744633 /nfs/dbraw/zinc/74/46/33/391744633.db2.gz OIWIJAWGALRFLT-YQFWSFKMSA-N 2 3 273.424 1.720 20 0 CDADHP NC[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CC12CCOCC2 ZINC000567894538 392283895 /nfs/dbraw/zinc/28/38/95/392283895.db2.gz BDMAYNOMJDSNLU-OAHLLOKOSA-N 2 3 281.444 1.063 20 0 CDADHP NC[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC12CCOCC2 ZINC000567894538 392283898 /nfs/dbraw/zinc/28/38/98/392283898.db2.gz BDMAYNOMJDSNLU-OAHLLOKOSA-N 2 3 281.444 1.063 20 0 CDADHP CSC1(C[NH2+][C@@H]2CCNCC[C@H]2C)CC[NH+](C)CC1 ZINC000423126654 392365278 /nfs/dbraw/zinc/36/52/78/392365278.db2.gz SCTSZKNIIRFVHD-ZIAGYGMSSA-N 2 3 285.501 1.792 20 0 CDADHP NC[C@]12CCC[C@H]1C[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000652352378 424284278 /nfs/dbraw/zinc/28/42/78/424284278.db2.gz NBMIRCGFPODWGA-KKUMJFAQSA-N 2 3 251.418 1.437 20 0 CDADHP NC[C@]12CCC[C@H]1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000652352378 424284283 /nfs/dbraw/zinc/28/42/83/424284283.db2.gz NBMIRCGFPODWGA-KKUMJFAQSA-N 2 3 251.418 1.437 20 0 CDADHP CC(C)N(C)CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401148845 424428315 /nfs/dbraw/zinc/42/83/15/424428315.db2.gz WBUDZRSKFYODIU-SOUVJXGZSA-N 2 3 253.434 1.694 20 0 CDADHP C(C[C@@H]1CC[NH2+]C1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000423243028 277720464 /nfs/dbraw/zinc/72/04/64/277720464.db2.gz GCFADUUNIOKDBN-CAOSSQGBSA-N 2 3 265.445 1.886 20 0 CDADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCOCC[NH+](C)C ZINC000235467945 289727239 /nfs/dbraw/zinc/72/72/39/289727239.db2.gz XTDIWBKGTCLMGW-CABCVRRESA-N 2 3 271.449 1.465 20 0 CDADHP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCNC1 ZINC000576099238 317073600 /nfs/dbraw/zinc/07/36/00/317073600.db2.gz ODGXFYJALBLHFH-SOUVJXGZSA-N 2 3 253.434 1.696 20 0 CDADHP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCNC1 ZINC000576099238 317073602 /nfs/dbraw/zinc/07/36/02/317073602.db2.gz ODGXFYJALBLHFH-SOUVJXGZSA-N 2 3 253.434 1.696 20 0 CDADHP CN(CCC[NH3+])CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000414742286 536342692 /nfs/dbraw/zinc/34/26/92/536342692.db2.gz LVROFLKCOKGDCV-UHFFFAOYSA-N 2 3 296.503 1.463 20 0 CDADHP CN1CCC([NH+]2CCC(CC[N@H+](C)CCCN)CC2)CC1 ZINC000414742286 536342695 /nfs/dbraw/zinc/34/26/95/536342695.db2.gz LVROFLKCOKGDCV-UHFFFAOYSA-N 2 3 296.503 1.463 20 0 CDADHP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCCN)CC2)CC1 ZINC000414742286 536342697 /nfs/dbraw/zinc/34/26/97/536342697.db2.gz LVROFLKCOKGDCV-UHFFFAOYSA-N 2 3 296.503 1.463 20 0 CDADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000925704907 617779290 /nfs/dbraw/zinc/77/92/90/617779290.db2.gz IGRNBUFLBDLVCL-HKGGGCDWSA-N 2 3 263.429 1.767 20 0 CDADHP C[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1CCN ZINC000903932873 626152935 /nfs/dbraw/zinc/15/29/35/626152935.db2.gz WUFKFWOMJKCAQW-SDKNFDLMSA-N 2 3 265.445 1.966 20 0 CDADHP C[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1CCN ZINC000903932873 626152937 /nfs/dbraw/zinc/15/29/37/626152937.db2.gz WUFKFWOMJKCAQW-SDKNFDLMSA-N 2 3 265.445 1.966 20 0 CDADHP CC(C)N1CCN(CCC[N@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000843354554 753875913 /nfs/dbraw/zinc/87/59/13/753875913.db2.gz BUFYXLXTWHXRBS-UHFFFAOYSA-N 2 3 296.503 1.604 20 0 CDADHP CC(C)N1CCN(CCC[N@@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000843354554 753875914 /nfs/dbraw/zinc/87/59/14/753875914.db2.gz BUFYXLXTWHXRBS-UHFFFAOYSA-N 2 3 296.503 1.604 20 0 CDADHP [NH3+][C@@H]1CC[C@H]2CN(Cc3cc4c(s3)CC[NH2+]C4)C[C@@H]12 ZINC000873201020 754997307 /nfs/dbraw/zinc/99/73/07/754997307.db2.gz JCLQOFSNIJBZMQ-ZLKJLUDKSA-N 2 3 277.437 1.563 20 0 CDADHP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCN(CC(C)(C)O)CC2)C1 ZINC000877073097 755049154 /nfs/dbraw/zinc/04/91/54/755049154.db2.gz CKSUBJNSLLFQMS-CVEARBPZSA-N 2 3 297.487 1.684 20 0 CDADHP O[C@@]1(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)CCCNC1 ZINC001246058130 1167409885 /nfs/dbraw/zinc/40/98/85/1167409885.db2.gz IBZGPCASMGVJPX-KRWDZBQOSA-N 2 3 295.471 1.203 20 0 CDADHP O[C@@]1(CN2CCC(CC3CC[NH2+]CC3)CC2)CCC[NH2+]C1 ZINC001246058130 1167409889 /nfs/dbraw/zinc/40/98/89/1167409889.db2.gz IBZGPCASMGVJPX-KRWDZBQOSA-N 2 3 295.471 1.203 20 0 CDADHP c1ccc(C[N@H+]2C[C@H]3CN(C4CC[NH2+]CC4)C[C@H]3C2)cc1 ZINC000705955692 894929877 /nfs/dbraw/zinc/92/98/77/894929877.db2.gz OPCYGQQRKZETIS-CALCHBBNSA-N 2 3 285.435 1.802 20 0 CDADHP c1ccc(C[N@@H+]2C[C@H]3CN(C4CC[NH2+]CC4)C[C@H]3C2)cc1 ZINC000705955692 894929882 /nfs/dbraw/zinc/92/98/82/894929882.db2.gz OPCYGQQRKZETIS-CALCHBBNSA-N 2 3 285.435 1.802 20 0 CDADHP CCCN1C[C@H]2C[NH+](CC3CC[NH2+]CC3)C[C@@H]2C1 ZINC001207442258 898974883 /nfs/dbraw/zinc/97/48/83/898974883.db2.gz VZDIGXHQJKXVNA-GJZGRUSLSA-N 2 3 251.418 1.260 20 0 CDADHP CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@](C)([NH3+])CC1)C2 ZINC001246552913 931737723 /nfs/dbraw/zinc/73/77/23/931737723.db2.gz QCHYLSULPDVOIL-XGUBFFRZSA-N 2 3 251.418 1.815 20 0 CDADHP CN1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@](C)([NH3+])CC1)C2 ZINC001246552913 931737728 /nfs/dbraw/zinc/73/77/28/931737728.db2.gz QCHYLSULPDVOIL-XGUBFFRZSA-N 2 3 251.418 1.815 20 0 CDADHP COc1ccnc(NCCC[NH2+]CCCC[NH3+])c1 ZINC001162289537 938972036 /nfs/dbraw/zinc/97/20/36/938972036.db2.gz ZVWBMPILFGRVIA-UHFFFAOYSA-N 2 3 252.362 1.221 20 0 CDADHP C[NH+](C)CCCC[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001220221324 941425509 /nfs/dbraw/zinc/42/55/09/941425509.db2.gz ZYJPTFGLQHWYTO-KKUMJFAQSA-N 2 3 298.475 1.035 20 0 CDADHP CC1(C)[NH2+][C@@H](CCN2CCC(C3C[NH2+]C3)CC2)CO1 ZINC001235334220 944125913 /nfs/dbraw/zinc/12/59/13/944125913.db2.gz BOMJHTAADDWOHE-AWEZNQCLSA-N 2 3 267.417 1.032 20 0 CDADHP C([C@H]1CC[NH2+]C1)N1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236950702 944623647 /nfs/dbraw/zinc/62/36/47/944623647.db2.gz OYRUKQXGXFRBNR-INIZCTEOSA-N 2 3 265.445 1.698 20 0 CDADHP CC(C)(C)NC[C@@H](O)C[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245978560 947875473 /nfs/dbraw/zinc/87/54/73/947875473.db2.gz BXPQPSMBJUTYSE-KBPBESRZSA-N 2 3 283.460 1.247 20 0 CDADHP C(C1CCC1)C1([NH2+][C@H]2CSC3(C[NH2+]C3)C2)CCNCC1 ZINC001246449750 948179028 /nfs/dbraw/zinc/17/90/28/948179028.db2.gz XIEUPUZBZCRVKZ-CQSZACIVSA-N 2 3 295.496 1.736 20 0 CDADHP C[C@H]1C[N@@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C[C@H]1CN ZINC001246542443 948245560 /nfs/dbraw/zinc/24/55/60/948245560.db2.gz PHCOYDGPRCKUHH-YJNKXOJESA-N 2 3 251.418 1.435 20 0 CDADHP C[C@H]1C[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C[C@H]1CN ZINC001246542443 948245569 /nfs/dbraw/zinc/24/55/69/948245569.db2.gz PHCOYDGPRCKUHH-YJNKXOJESA-N 2 3 251.418 1.435 20 0 CDADHP NC[C@@H]1CCCC[N@@H+](C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246588742 948323492 /nfs/dbraw/zinc/32/34/92/948323492.db2.gz CIYAKZGNZYEYSC-FHERZECASA-N 2 3 265.445 1.970 20 0 CDADHP NC[C@@H]1CCCC[N@H+](C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246588742 948323495 /nfs/dbraw/zinc/32/34/95/948323495.db2.gz CIYAKZGNZYEYSC-FHERZECASA-N 2 3 265.445 1.970 20 0 CDADHP C1C[C@]2(C[NH2+]1)CCC[C@H]([N@@H+]1CCO[C@]3(CCCNC3)C1)C2 ZINC001246618373 948351399 /nfs/dbraw/zinc/35/13/99/948351399.db2.gz KKBFXZCHTLCIQO-BBWFWOEESA-N 2 3 293.455 1.363 20 0 CDADHP C1C[C@]2(C[NH2+]1)CCC[C@H]([N@H+]1CCO[C@]3(CCCNC3)C1)C2 ZINC001246618373 948351407 /nfs/dbraw/zinc/35/14/07/948351407.db2.gz KKBFXZCHTLCIQO-BBWFWOEESA-N 2 3 293.455 1.363 20 0 CDADHP CC[NH+](CC)C[C@H](O)CNCC1CC[NH+](CC(C)C)CC1 ZINC001253212852 951813870 /nfs/dbraw/zinc/81/38/70/951813870.db2.gz PNGSJAHASBOOCY-QGZVFWFLSA-N 2 3 299.503 1.647 20 0 CDADHP C[C@H]1C[N@H+](Cc2cc3c(s2)CCNC3)C[C@H]1CC[NH3+] ZINC001552973540 964463333 /nfs/dbraw/zinc/46/33/33/964463333.db2.gz OEWGKWPMYXKVEI-NWDGAFQWSA-N 2 3 279.453 1.811 20 0 CDADHP C[C@H]1C[N@@H+](Cc2cc3c(s2)CCNC3)C[C@H]1CC[NH3+] ZINC001552973540 964463341 /nfs/dbraw/zinc/46/33/41/964463341.db2.gz OEWGKWPMYXKVEI-NWDGAFQWSA-N 2 3 279.453 1.811 20 0 CDADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+]C[C@H]1CC[C@H]([NH3+])C1 ZINC001553028377 964495400 /nfs/dbraw/zinc/49/54/00/964495400.db2.gz WRQDITLOHYETQC-YHQUGGNUSA-N 2 3 251.418 1.480 20 0 CDADHP [NH3+]C1CCC([NH2+][C@@H]2CNC[C@H]2c2ccccc2)CC1 ZINC000333869081 363197714 /nfs/dbraw/zinc/19/77/14/363197714.db2.gz UGQPRNBKHMJWTG-SSHXOBKSSA-N 2 3 259.397 1.602 20 0 CDADHP CSC1(CN[C@@H]2C[NH2+]CC[C@@H]2C)CC[NH+](C)CC1 ZINC000423123060 359751367 /nfs/dbraw/zinc/75/13/67/359751367.db2.gz LWOKBWDUOHEZKB-QWHCGFSZSA-N 2 3 271.474 1.401 20 0 CDADHP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2N)cc1 ZINC000422717723 245175468 /nfs/dbraw/zinc/17/54/68/245175468.db2.gz PANWWDZILQFBBF-IRXDYDNUSA-N 2 3 291.439 1.987 20 0 CDADHP C[NH+]1CCC(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422746747 245206257 /nfs/dbraw/zinc/20/62/57/245206257.db2.gz XEBZUHTXYIVAEY-YIONKMFJSA-N 2 3 251.418 1.591 20 0 CDADHP C[C@@H]1C[N@@H+](CC2CCN(CCC[NH3+])CC2)C[C@H](C)O1 ZINC000414692529 391344928 /nfs/dbraw/zinc/34/49/28/391344928.db2.gz QKMYAFCNASJVFO-OKILXGFUSA-N 2 3 269.433 1.156 20 0 CDADHP C[C@@H]1C[N@H+](CC2CCN(CCC[NH3+])CC2)C[C@H](C)O1 ZINC000414692529 391344932 /nfs/dbraw/zinc/34/49/32/391344932.db2.gz QKMYAFCNASJVFO-OKILXGFUSA-N 2 3 269.433 1.156 20 0 CDADHP CC1(C)CNCC[C@H]1[NH2+]CCCC1CC[NH2+]CC1 ZINC000647988129 391641704 /nfs/dbraw/zinc/64/17/04/391641704.db2.gz RTJNRXMFUOMSEW-CQSZACIVSA-N 2 3 253.434 1.744 20 0 CDADHP CCOC(=O)C1([C@@H](C)[NH2+]CCCNC2CC2)CC[NH2+]CC1 ZINC000423553678 392592202 /nfs/dbraw/zinc/59/22/02/392592202.db2.gz KSNDYIPBSFXXDN-CYBMUJFWSA-N 2 3 297.443 1.040 20 0 CDADHP C([NH2+]C1CCNCC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000665233442 413958662 /nfs/dbraw/zinc/95/86/62/413958662.db2.gz IEEBXWVRJZUTAX-UHFFFAOYSA-N 2 3 281.444 1.219 20 0 CDADHP C[C@@H]1C[NH2+]CC[C@H]1C[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000663498460 414296123 /nfs/dbraw/zinc/29/61/23/414296123.db2.gz SXAWRCGGPHMDJC-RDBSUJKOSA-N 2 3 251.418 1.496 20 0 CDADHP C[C@@]1(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC000530248826 271182705 /nfs/dbraw/zinc/18/27/05/271182705.db2.gz QABSJJCKSDIZIP-HZPDHXFCSA-N 2 3 281.444 1.077 20 0 CDADHP C[C@]1(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC000530248824 271183608 /nfs/dbraw/zinc/18/36/08/271183608.db2.gz QABSJJCKSDIZIP-CVEARBPZSA-N 2 3 281.444 1.077 20 0 CDADHP CC[N@@H+]1CC[C@H](NCCN2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC000247217183 280323338 /nfs/dbraw/zinc/32/33/38/280323338.db2.gz WELCTEBFFJZMLU-RDJZCZTQSA-N 2 3 296.503 1.332 20 0 CDADHP CC[N@H+]1CC[C@H](NCCN2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC000247217183 280323339 /nfs/dbraw/zinc/32/33/39/280323339.db2.gz WELCTEBFFJZMLU-RDJZCZTQSA-N 2 3 296.503 1.332 20 0 CDADHP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000422746546 289152691 /nfs/dbraw/zinc/15/26/91/289152691.db2.gz WUZOTQBEPWUGKM-SJORKVTESA-N 2 3 296.503 1.367 20 0 CDADHP C(N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CC[NH+](CC2CC2)CC1 ZINC000925715167 617829281 /nfs/dbraw/zinc/82/92/81/617829281.db2.gz AAFOWFLHFKSUMQ-NNPSNHGLSA-N 2 3 289.467 1.694 20 0 CDADHP CC[C@@H]1CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC[C@@H]1[NH3+] ZINC000903746902 626071488 /nfs/dbraw/zinc/07/14/88/626071488.db2.gz NGSSRXMFQVOVQX-KFWWJZLASA-N 2 3 281.444 1.204 20 0 CDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(C)CC[NH+](C)CC1 ZINC000849016531 768826511 /nfs/dbraw/zinc/82/65/11/768826511.db2.gz NYLUWRVUFBCNNQ-CQSZACIVSA-N 2 3 295.475 1.317 20 0 CDADHP C[NH+](C)CC1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169140419 927730316 /nfs/dbraw/zinc/73/03/16/927730316.db2.gz KAJQGIZPUYNQDT-MUJYYYPQSA-N 2 3 265.445 1.885 20 0 CDADHP C[NH+](C)CC1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169140419 927730329 /nfs/dbraw/zinc/73/03/29/927730329.db2.gz KAJQGIZPUYNQDT-MUJYYYPQSA-N 2 3 265.445 1.885 20 0 CDADHP CC[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCN1 ZINC001246205297 931201268 /nfs/dbraw/zinc/20/12/68/931201268.db2.gz LMPHUKTZAUSIPP-AJNGGQMLSA-N 2 3 253.434 1.872 20 0 CDADHP C[NH+]1CCC2(CCN(C[C@]3(C)CC[NH2+]C3)CC2)CC1 ZINC000691932186 933438281 /nfs/dbraw/zinc/43/82/81/933438281.db2.gz ZNBRHLPMRBJWEP-OAHLLOKOSA-N 2 3 265.445 1.794 20 0 CDADHP C[C@@H]1CC[C@H](CN[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)[NH2+]C1 ZINC001246106283 947957298 /nfs/dbraw/zinc/95/72/98/947957298.db2.gz PEXCTYRTSWLDND-FPCVCCKLSA-N 2 3 265.445 1.886 20 0 CDADHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CNCC12CC2 ZINC001246134663 947980506 /nfs/dbraw/zinc/98/05/06/947980506.db2.gz RNNJICNTLBPSMV-UONOGXRCSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@@H]1CC([NH2+]C[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)C[C@@H](C)N1 ZINC001246148023 947988941 /nfs/dbraw/zinc/98/89/41/947988941.db2.gz OPOPEHXFMJUHGE-PAURTPPISA-N 2 3 265.445 1.741 20 0 CDADHP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246260164 948061015 /nfs/dbraw/zinc/06/10/15/948061015.db2.gz FXRFDKNWFGUUIT-UKTRRACUSA-N 2 3 263.429 1.874 20 0 CDADHP CCCC[NH+]1CCC(C[NH2+]C2CCNCC2)CC1 ZINC001246361244 948133670 /nfs/dbraw/zinc/13/36/70/948133670.db2.gz BSICJCCSNSSIKN-UHFFFAOYSA-N 2 3 253.434 1.840 20 0 CDADHP COCCC1(C[NH2+][C@H]2CCN[C@H](C)C2)CC[NH2+]CC1 ZINC001246370282 948142621 /nfs/dbraw/zinc/14/26/21/948142621.db2.gz JEKLIQFRFCZBQN-KGLIPLIRSA-N 2 3 269.433 1.123 20 0 CDADHP CC(C)OC(=O)CC[C@@H](C)NCCC[NH2+]CCCC[NH3+] ZINC001246457655 948184573 /nfs/dbraw/zinc/18/45/73/948184573.db2.gz PKMKLOVRSOOWKL-CQSZACIVSA-N 2 3 287.448 1.415 20 0 CDADHP CC[C@@H]1C[C@H]([N@@H+]2CCC[C@](C)(C[NH3+])CC2)CCN1 ZINC001246576826 948300731 /nfs/dbraw/zinc/30/07/31/948300731.db2.gz MZHHZAWXOJZLNQ-KFWWJZLASA-N 2 3 253.434 1.968 20 0 CDADHP CC[C@@H]1C[C@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)CCN1 ZINC001246576826 948300741 /nfs/dbraw/zinc/30/07/41/948300741.db2.gz MZHHZAWXOJZLNQ-KFWWJZLASA-N 2 3 253.434 1.968 20 0 CDADHP C[C@@H]1C[C@H](N2CCC[C@]23CCC[NH2+]CC3)CC[NH2+]1 ZINC001246603665 948337640 /nfs/dbraw/zinc/33/76/40/948337640.db2.gz FOBQBMOWASDKDH-KFWWJZLASA-N 2 3 251.418 1.735 20 0 CDADHP C1CC2(C[C@@H]1[N@@H+]1CC[C@H]3CNCC[C@H]31)CC[NH2+]CC2 ZINC001246616742 948349325 /nfs/dbraw/zinc/34/93/25/948349325.db2.gz BGQQKIUWUNVWBH-RRFJBIMHSA-N 2 3 263.429 1.593 20 0 CDADHP C1CC2(C[C@@H]1[N@H+]1CC[C@H]3CNCC[C@H]31)CC[NH2+]CC2 ZINC001246616742 948349333 /nfs/dbraw/zinc/34/93/33/948349333.db2.gz BGQQKIUWUNVWBH-RRFJBIMHSA-N 2 3 263.429 1.593 20 0 CDADHP C1C[C@@]2(C[NH2+]1)CCC[C@H]([N@@H+]1CCO[C@]3(CCCNC3)C1)C2 ZINC001246618375 948351362 /nfs/dbraw/zinc/35/13/62/948351362.db2.gz KKBFXZCHTLCIQO-ULQDDVLXSA-N 2 3 293.455 1.363 20 0 CDADHP C1C[C@@]2(C[NH2+]1)CCC[C@H]([N@H+]1CCO[C@]3(CCCNC3)C1)C2 ZINC001246618375 948351366 /nfs/dbraw/zinc/35/13/66/948351366.db2.gz KKBFXZCHTLCIQO-ULQDDVLXSA-N 2 3 293.455 1.363 20 0 CDADHP [NH2+]=C(NCCCC[NH3+])N[C@@H]1CCCN(C2CCCC2)C1 ZINC001256900132 948447089 /nfs/dbraw/zinc/44/70/89/948447089.db2.gz JAEGYIQLKFSXKZ-CYBMUJFWSA-N 2 3 281.448 1.246 20 0 CDADHP CC(C)(C)[NH2+]C[C@@H](O)CNCCCC[NH+]1CCCC1 ZINC001253403851 951885001 /nfs/dbraw/zinc/88/50/01/951885001.db2.gz LEIAZLTXPGPCEM-AWEZNQCLSA-N 2 3 271.449 1.201 20 0 CDADHP CC(C)(C)NC[C@@H](O)C[NH2+]CCCC[NH+]1CCCC1 ZINC001253403851 951885005 /nfs/dbraw/zinc/88/50/05/951885005.db2.gz LEIAZLTXPGPCEM-AWEZNQCLSA-N 2 3 271.449 1.201 20 0 CDADHP NC[C@@]12CCC[C@@H]1C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001550351677 965872170 /nfs/dbraw/zinc/87/21/70/965872170.db2.gz VBMXHPLSSFKTFW-KMVIYXDESA-N 2 3 263.429 1.578 20 0 CDADHP NC[C@@]12CCC[C@@H]1C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001550351677 965872180 /nfs/dbraw/zinc/87/21/80/965872180.db2.gz VBMXHPLSSFKTFW-KMVIYXDESA-N 2 3 263.429 1.578 20 0 CDADHP C[C@@H]1C[C@H](CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000629655220 363259845 /nfs/dbraw/zinc/25/98/45/363259845.db2.gz UMCDLBXYMWRXTP-FDYHWXHSSA-N 2 3 293.377 1.834 20 0 CDADHP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000154452512 360354555 /nfs/dbraw/zinc/35/45/55/360354555.db2.gz DEWXOPRTWZZNDY-IAGOWNOFSA-N 2 3 296.503 1.476 20 0 CDADHP CC(C)[C@H](CN)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000634996612 360628158 /nfs/dbraw/zinc/62/81/58/360628158.db2.gz PHXIKIMQFNGHQL-JKSUJKDBSA-N 2 3 267.461 1.929 20 0 CDADHP CC(C)[C@H](CN)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000634996612 360628163 /nfs/dbraw/zinc/62/81/63/360628163.db2.gz PHXIKIMQFNGHQL-JKSUJKDBSA-N 2 3 267.461 1.929 20 0 CDADHP CC(C)(C)N1CCC([NH2+]CC[C@@H]2CC[NH2+]C2)CC1 ZINC000414838165 241411489 /nfs/dbraw/zinc/41/14/89/241411489.db2.gz VCQNWCPZHGLSFB-ZDUSSCGKSA-N 2 3 253.434 1.839 20 0 CDADHP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCNC2)CC1 ZINC000415078897 390995591 /nfs/dbraw/zinc/99/55/91/390995591.db2.gz HGHOPTOXXIIJON-OAHLLOKOSA-N 2 3 253.434 1.696 20 0 CDADHP CC(C)[NH2+]C1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414689998 391344219 /nfs/dbraw/zinc/34/42/19/391344219.db2.gz HDVUGLRNKNPPQF-KGLIPLIRSA-N 2 3 253.434 1.837 20 0 CDADHP C[C@@H](NCC1CC[NH+](C2CC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423083012 287020328 /nfs/dbraw/zinc/02/03/28/287020328.db2.gz GAXSPMZTPUBAOZ-CJNGLKHVSA-N 2 3 265.445 1.981 20 0 CDADHP NC[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665233310 413957373 /nfs/dbraw/zinc/95/73/73/413957373.db2.gz DQKHHKWZQYHJHN-NVXWUHKLSA-N 2 3 295.471 1.594 20 0 CDADHP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000420322574 295319076 /nfs/dbraw/zinc/31/90/76/295319076.db2.gz ALGHMYIFSRCGPC-SJORKVTESA-N 2 3 295.471 1.691 20 0 CDADHP CCN(C)C[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903898159 626137002 /nfs/dbraw/zinc/13/70/02/626137002.db2.gz LEVLUELOPCSENZ-HNSVSWJLSA-N 2 3 265.445 1.791 20 0 CDADHP CCN(C)C[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903898159 626137004 /nfs/dbraw/zinc/13/70/04/626137004.db2.gz LEVLUELOPCSENZ-HNSVSWJLSA-N 2 3 265.445 1.791 20 0 CDADHP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@]3(C2)CCCCN3)CC[NH2+]1 ZINC000904431423 626291311 /nfs/dbraw/zinc/29/13/11/626291311.db2.gz ZFBYAQTWPUQJDB-QLFBSQMISA-N 2 3 251.418 1.593 20 0 CDADHP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@]3(C2)CCCCN3)CC[NH2+]1 ZINC000904431423 626291315 /nfs/dbraw/zinc/29/13/15/626291315.db2.gz ZFBYAQTWPUQJDB-QLFBSQMISA-N 2 3 251.418 1.593 20 0 CDADHP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cc3c(s2)CCNC3)C1 ZINC000873211498 776354821 /nfs/dbraw/zinc/35/48/21/776354821.db2.gz AGSXGXRMONCOOX-PWSUYJOCSA-N 2 3 265.426 1.611 20 0 CDADHP CCC[N@H+](C)C[C@@H]1CCN(CC2CC[NH+](C)CC2)C1 ZINC000788480671 777012477 /nfs/dbraw/zinc/01/24/77/777012477.db2.gz CLNDZRLUJGCEJQ-INIZCTEOSA-N 2 3 267.461 1.992 20 0 CDADHP CCC[N@@H+](C)C[C@@H]1CCN(CC2CC[NH+](C)CC2)C1 ZINC000788480671 777012484 /nfs/dbraw/zinc/01/24/84/777012484.db2.gz CLNDZRLUJGCEJQ-INIZCTEOSA-N 2 3 267.461 1.992 20 0 CDADHP C([C@@H]1CCC[NH2+]C1)N1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235233167 914108602 /nfs/dbraw/zinc/10/86/02/914108602.db2.gz OLDLIAQZJIPEIO-ZBFHGGJFSA-N 2 3 265.445 1.840 20 0 CDADHP C(C[N@H+](C[C@H]1CCCNC1)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236584494 915751945 /nfs/dbraw/zinc/75/19/45/915751945.db2.gz FRMOMWFTCBAIEX-GJZGRUSLSA-N 2 3 265.445 1.840 20 0 CDADHP C(C[N@@H+](C[C@H]1CCCNC1)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236584494 915751957 /nfs/dbraw/zinc/75/19/57/915751957.db2.gz FRMOMWFTCBAIEX-GJZGRUSLSA-N 2 3 265.445 1.840 20 0 CDADHP C[C@@H]1CC[NH2+]CC[C@@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246111928 931059962 /nfs/dbraw/zinc/05/99/62/931059962.db2.gz PAHGRZMEQISAMF-DGXTUMSLSA-N 2 3 265.445 1.885 20 0 CDADHP CC(C)[NH+]1CCC(N2CCC[C@](O)(C[NH3+])CC2)CC1 ZINC001246540103 931649549 /nfs/dbraw/zinc/64/95/49/931649549.db2.gz CXEWPMMHUSRALN-OAHLLOKOSA-N 2 3 269.433 1.035 20 0 CDADHP C1CC2(C[C@@H]1[N@@H+]1CC[C@@]3(C1)CCCNC3)CC[NH2+]CC2 ZINC001246601782 932063898 /nfs/dbraw/zinc/06/38/98/932063898.db2.gz GZRZAGRHYRDQRR-WBVHZDCISA-N 2 3 277.456 1.984 20 0 CDADHP C1CC2(C[C@@H]1[N@H+]1CC[C@@]3(C1)CCCNC3)CC[NH2+]CC2 ZINC001246601782 932063904 /nfs/dbraw/zinc/06/39/04/932063904.db2.gz GZRZAGRHYRDQRR-WBVHZDCISA-N 2 3 277.456 1.984 20 0 CDADHP C(C[NH2+]C1CCCCC1)CN1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235342447 944128268 /nfs/dbraw/zinc/12/82/68/944128268.db2.gz VVAWUAIOGTXCCT-CQSZACIVSA-N 2 3 265.445 1.840 20 0 CDADHP CCCCC[C@@H](O)CNCCC[NH2+]CCCC[NH3+] ZINC001246011150 947891620 /nfs/dbraw/zinc/89/16/20/947891620.db2.gz SENVWYXFVUFHFN-CQSZACIVSA-N 2 3 259.438 1.236 20 0 CDADHP CC1(C)C[C@H]([NH2+]C2CCNCC2)C[C@@](C)(C[NH3+])C1 ZINC001246245244 948052761 /nfs/dbraw/zinc/05/27/61/948052761.db2.gz QAJFQWDJJLVTNT-DZGCQCFKSA-N 2 3 253.434 1.872 20 0 CDADHP C[C@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CCN1 ZINC001246508160 948215489 /nfs/dbraw/zinc/21/54/89/948215489.db2.gz DLRRRUVXYNQOTM-PPWQZUPISA-N 2 3 253.434 1.837 20 0 CDADHP [NH3+]C[C@]1(F)CCCN([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246553344 948258117 /nfs/dbraw/zinc/25/81/17/948258117.db2.gz XZPDHMCCOMMCJA-DGAVXFQQSA-N 2 3 255.381 1.422 20 0 CDADHP COCC[N@H+](C1CCC2(C[NH2+]C2)CC1)[C@@H]1CCCNC1 ZINC001246930625 948528029 /nfs/dbraw/zinc/52/80/29/948528029.db2.gz VKAIRISOHSPUDC-OAHLLOKOSA-N 2 3 281.444 1.219 20 0 CDADHP COCC[N@@H+](C1CCC2(C[NH2+]C2)CC1)[C@@H]1CCCNC1 ZINC001246930625 948528032 /nfs/dbraw/zinc/52/80/32/948528032.db2.gz VKAIRISOHSPUDC-OAHLLOKOSA-N 2 3 281.444 1.219 20 0 CDADHP CC(C)[NH+]1CCC(N2CCN(CCCC[NH3+])CC2)CC1 ZINC001257213475 948549470 /nfs/dbraw/zinc/54/94/70/948549470.db2.gz ONQDGLZAMIIFKZ-UHFFFAOYSA-N 2 3 282.476 1.216 20 0 CDADHP CCN(CC)C[C@@H](O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001253196901 951795137 /nfs/dbraw/zinc/79/51/37/951795137.db2.gz ZEYKZPBBSYTQJD-MRXNPFEDSA-N 2 3 297.487 1.497 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H]1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001550348785 965866526 /nfs/dbraw/zinc/86/65/26/965866526.db2.gz FXZMZUDGHGGSHJ-OJLVUWQFSA-N 2 3 281.444 1.060 20 0 CDADHP C[C@H]1C[C@@H]([NH2+]C2CC(C[NH3+])(c3ccccc3)C2)CCN1 ZINC001550944235 966298234 /nfs/dbraw/zinc/29/82/34/966298234.db2.gz LJGYLDMAWBKCMQ-OBTMHIKCSA-N 2 3 273.424 1.776 20 0 CDADHP C[C@H]1C[C@@H](NC2CC(C[NH3+])(c3ccccc3)C2)CC[NH2+]1 ZINC001550944235 966298241 /nfs/dbraw/zinc/29/82/41/966298241.db2.gz LJGYLDMAWBKCMQ-OBTMHIKCSA-N 2 3 273.424 1.776 20 0 CDADHP [NH3+]C[C@@]12CCC[C@H]1CN(Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC001549113246 968024649 /nfs/dbraw/zinc/02/46/49/968024649.db2.gz PFTDQIHCXQXJJT-ZWKOTPCHSA-N 2 3 285.435 1.893 20 0 CDADHP CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000093452953 342188724 /nfs/dbraw/zinc/18/87/24/342188724.db2.gz VRYYFTDVPNRWRX-LVQVYYBASA-N 2 3 265.445 1.839 20 0 CDADHP O[C@@H](CNCCCCC[NH+]1CCCCC1)C[NH+]1CCCC1 ZINC000629560983 363007719 /nfs/dbraw/zinc/00/77/19/363007719.db2.gz GIVJQDIEPZVTNG-KRWDZBQOSA-N 2 3 297.487 1.689 20 0 CDADHP C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000422884956 245368965 /nfs/dbraw/zinc/36/89/65/245368965.db2.gz SUEUACQLBYTSKO-LUKYLMHMSA-N 2 3 297.487 1.983 20 0 CDADHP C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000422884956 245368967 /nfs/dbraw/zinc/36/89/67/245368967.db2.gz SUEUACQLBYTSKO-LUKYLMHMSA-N 2 3 297.487 1.983 20 0 CDADHP NC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CC12CCOCC2 ZINC000568090217 392361875 /nfs/dbraw/zinc/36/18/75/392361875.db2.gz YGPDNMBTGNDEQZ-LSDHHAIUSA-N 2 3 281.444 1.063 20 0 CDADHP NC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC12CCOCC2 ZINC000568090217 392361877 /nfs/dbraw/zinc/36/18/77/392361877.db2.gz YGPDNMBTGNDEQZ-LSDHHAIUSA-N 2 3 281.444 1.063 20 0 CDADHP c1cc2c(cc1C[NH2+]CC[C@@H]1CC[NH2+]C1)CNCC2 ZINC000656785795 413666407 /nfs/dbraw/zinc/66/64/07/413666407.db2.gz JQFPFYMXASSASY-ZDUSSCGKSA-N 2 3 259.397 1.422 20 0 CDADHP CCC1([NH3+])CCN([C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000903948973 626164243 /nfs/dbraw/zinc/16/42/43/626164243.db2.gz WXIIQVZXAIKVMP-MGPQQGTHSA-N 2 3 251.418 1.578 20 0 CDADHP C[N@@H+]1CCC[C@@H](N2CCN(CCCCCC[NH3+])CC2)C1 ZINC000846220002 782239499 /nfs/dbraw/zinc/23/94/99/782239499.db2.gz ILJVXUSCJFPRAK-MRXNPFEDSA-N 2 3 282.476 1.217 20 0 CDADHP C[N@H+]1CCC[C@@H](N2CCN(CCCCCC[NH3+])CC2)C1 ZINC000846220002 782239510 /nfs/dbraw/zinc/23/95/10/782239510.db2.gz ILJVXUSCJFPRAK-MRXNPFEDSA-N 2 3 282.476 1.217 20 0 CDADHP C[N@@H+]1CCC[C@H](N2CCN(CCCCCC[NH3+])CC2)C1 ZINC000846220001 781715386 /nfs/dbraw/zinc/71/53/86/781715386.db2.gz ILJVXUSCJFPRAK-INIZCTEOSA-N 2 3 282.476 1.217 20 0 CDADHP C[N@H+]1CCC[C@H](N2CCN(CCCCCC[NH3+])CC2)C1 ZINC000846220001 781715392 /nfs/dbraw/zinc/71/53/92/781715392.db2.gz ILJVXUSCJFPRAK-INIZCTEOSA-N 2 3 282.476 1.217 20 0 CDADHP C[C@@H]1CC[NH2+]CC[C@@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246111949 931059788 /nfs/dbraw/zinc/05/97/88/931059788.db2.gz PAHGRZMEQISAMF-SUJAAXHWSA-N 2 3 265.445 1.885 20 0 CDADHP CC(C)[C@@H]1C[C@@H](N2CCC[C@](F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246548916 931710180 /nfs/dbraw/zinc/71/01/80/931710180.db2.gz KWZCOHODFKJBEY-SOUVJXGZSA-N 2 3 271.424 1.916 20 0 CDADHP C1[NH2+]C[C@H]2C[C@H]([N@@H+]3CCC[C@@]4(CCCNC4)C3)C[C@@H]12 ZINC001246610602 932092532 /nfs/dbraw/zinc/09/25/32/932092532.db2.gz PVJMVYCLXCVSCE-FXUDXRNXSA-N 2 3 263.429 1.450 20 0 CDADHP C1[NH2+]C[C@H]2C[C@H]([N@H+]3CCC[C@@]4(CCCNC4)C3)C[C@@H]12 ZINC001246610602 932092539 /nfs/dbraw/zinc/09/25/39/932092539.db2.gz PVJMVYCLXCVSCE-FXUDXRNXSA-N 2 3 263.429 1.450 20 0 CDADHP C[NH+]1CCC2(CCN(C[C@@]3(C)CC[NH2+]C3)CC2)CC1 ZINC000691932185 933438513 /nfs/dbraw/zinc/43/85/13/933438513.db2.gz ZNBRHLPMRBJWEP-HNNXBMFYSA-N 2 3 265.445 1.794 20 0 CDADHP CC[C@H](N)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206750020 940084776 /nfs/dbraw/zinc/08/47/76/940084776.db2.gz RSFSHSIAMFNRQU-HNNXBMFYSA-N 2 3 261.413 1.716 20 0 CDADHP [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1cccc2c1CNC2 ZINC001218992852 941299045 /nfs/dbraw/zinc/29/90/45/941299045.db2.gz FTLSCJVGTSRLKW-LBPRGKRZSA-N 2 3 276.384 1.075 20 0 CDADHP c1ccc([C@]23CCNC[C@@H]2C[N@H+](CCC2C[NH2+]C2)CC3)cc1 ZINC001235367365 944137637 /nfs/dbraw/zinc/13/76/37/944137637.db2.gz SMCIALJZHVEANK-RTBURBONSA-N 2 3 299.462 1.849 20 0 CDADHP c1ccc([C@]23CCNC[C@@H]2C[N@@H+](CCC2C[NH2+]C2)CC3)cc1 ZINC001235367365 944137641 /nfs/dbraw/zinc/13/76/41/944137641.db2.gz SMCIALJZHVEANK-RTBURBONSA-N 2 3 299.462 1.849 20 0 CDADHP CN(CCC1CC[NH2+]CC1)CC[C@@H]1CCCC[NH2+]1 ZINC001235715798 944259857 /nfs/dbraw/zinc/25/98/57/944259857.db2.gz XFLGYVIIWSVGLZ-HNNXBMFYSA-N 2 3 253.434 1.840 20 0 CDADHP C(C[N@H+](C[C@H]1CCCNC1)C1CC1)C1CC[NH2+]CC1 ZINC001236584518 944519110 /nfs/dbraw/zinc/51/91/10/944519110.db2.gz GSGIICCXBUBUHJ-HNNXBMFYSA-N 2 3 265.445 1.840 20 0 CDADHP C(C[N@@H+](C[C@H]1CCCNC1)C1CC1)C1CC[NH2+]CC1 ZINC001236584518 944519111 /nfs/dbraw/zinc/51/91/11/944519111.db2.gz GSGIICCXBUBUHJ-HNNXBMFYSA-N 2 3 265.445 1.840 20 0 CDADHP CC1(C)C[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]CC2)CCN1 ZINC001246096735 947946207 /nfs/dbraw/zinc/94/62/07/947946207.db2.gz WCHHTOQUOPACKN-HIFRSBDPSA-N 2 3 253.434 1.886 20 0 CDADHP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246136107 947980669 /nfs/dbraw/zinc/98/06/69/947980669.db2.gz UCJQLZHCPUTJTL-MELADBBJSA-N 2 3 251.418 1.639 20 0 CDADHP CCCC[C@H]1C[C@@H](NC[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246145448 947987453 /nfs/dbraw/zinc/98/74/53/947987453.db2.gz WZBGAACOKQOJKN-WOYTXXSLSA-N 2 3 295.471 1.511 20 0 CDADHP C[C@@H]1CC[C@@H](NCCCCC[NH+]2CCCC2)C[NH2+]1 ZINC001246270821 948069983 /nfs/dbraw/zinc/06/99/83/948069983.db2.gz NFZYYLFABKVHHP-HUUCEWRRSA-N 2 3 253.434 1.983 20 0 CDADHP C1C[C@H]2CC([NH2+][C@@H]3CC[C@@H](N4CCOCC4)CC3)C[C@@H]1[NH2+]2 ZINC001246406530 948158741 /nfs/dbraw/zinc/15/87/41/948158741.db2.gz MPRVDROAQIYFHW-ILRPZLSSSA-N 2 3 293.455 1.502 20 0 CDADHP NC1=CC=C(C2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)[NH2+]C1 ZINC001246497187 948208704 /nfs/dbraw/zinc/20/87/04/948208704.db2.gz WAJLMQFCYDGFHG-XYPWUTKMSA-N 2 3 288.439 1.311 20 0 CDADHP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)CCN1 ZINC001246558964 948271816 /nfs/dbraw/zinc/27/18/16/948271816.db2.gz OGBJTSAZKVTLPL-BYNSBNAKSA-N 2 3 253.434 1.824 20 0 CDADHP CC[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)CCN1 ZINC001246558964 948271824 /nfs/dbraw/zinc/27/18/24/948271824.db2.gz OGBJTSAZKVTLPL-BYNSBNAKSA-N 2 3 253.434 1.824 20 0 CDADHP CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC[C@H](C[NH3+])C1)C2 ZINC001246580888 948308304 /nfs/dbraw/zinc/30/83/04/948308304.db2.gz IQOJKAWRILOJSI-APIJFGDWSA-N 2 3 251.418 1.672 20 0 CDADHP CN1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC[C@H](C[NH3+])C1)C2 ZINC001246580888 948308311 /nfs/dbraw/zinc/30/83/11/948308311.db2.gz IQOJKAWRILOJSI-APIJFGDWSA-N 2 3 251.418 1.672 20 0 CDADHP C1C[C@@]2(C[NH2+]1)CCC[C@H]([N@@H+]1CC[C@]3(C1)CCCNC3)C2 ZINC001246601733 948337864 /nfs/dbraw/zinc/33/78/64/948337864.db2.gz GMAPVDQJBPCTLX-YESZJQIVSA-N 2 3 277.456 1.984 20 0 CDADHP C1C[C@@]2(C[NH2+]1)CCC[C@H]([N@H+]1CC[C@]3(C1)CCCNC3)C2 ZINC001246601733 948337873 /nfs/dbraw/zinc/33/78/73/948337873.db2.gz GMAPVDQJBPCTLX-YESZJQIVSA-N 2 3 277.456 1.984 20 0 CDADHP CC(C)[C@@H]1C[C@@H](N2CCC(C3C[NH2+]C3)CC2)CC[NH2+]1 ZINC001246676220 948401672 /nfs/dbraw/zinc/40/16/72/948401672.db2.gz CWALSMDSVMFMFQ-HOTGVXAUSA-N 2 3 265.445 1.694 20 0 CDADHP C1[C@@H]2CCNC[C@H]2C[N@@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246848866 948476209 /nfs/dbraw/zinc/47/62/09/948476209.db2.gz XBOCCQYXXYFOAI-JUVOFCAFSA-N 2 3 277.456 1.840 20 0 CDADHP C1[C@@H]2CCNC[C@H]2C[N@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246848866 948476213 /nfs/dbraw/zinc/47/62/13/948476213.db2.gz XBOCCQYXXYFOAI-JUVOFCAFSA-N 2 3 277.456 1.840 20 0 CDADHP C[C@H]1CC[C@@H](N2CCC(N3CCC([NH3+])CC3)CC2)C[NH2+]1 ZINC001246967658 948546917 /nfs/dbraw/zinc/54/69/17/948546917.db2.gz IQQCOBPFNIWELQ-XJKSGUPXSA-N 2 3 280.460 1.014 20 0 CDADHP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253405268 951889842 /nfs/dbraw/zinc/88/98/42/951889842.db2.gz ULEUIECSKFOYLR-GJZGRUSLSA-N 2 3 287.492 1.836 20 0 CDADHP CC[NH+](CC)CCC[C@H](C)NC[C@H](O)C[NH2+]C(C)(C)C ZINC001253405268 951889843 /nfs/dbraw/zinc/88/98/43/951889843.db2.gz ULEUIECSKFOYLR-GJZGRUSLSA-N 2 3 287.492 1.836 20 0 CDADHP CCN(CC)CC[C@H](C)[NH2+]C1CCN(CC[NH3+])CC1 ZINC001577687451 1171719882 /nfs/dbraw/zinc/71/98/82/1171719882.db2.gz GPBMJBUILKQWLS-AWEZNQCLSA-N 2 3 270.465 1.120 20 0 CDADHP C[C@]1(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC[NH2+]C1 ZINC000650708333 398151782 /nfs/dbraw/zinc/15/17/82/398151782.db2.gz YBCGMTIHWCFOMD-JJXSEGSLSA-N 2 3 281.444 1.204 20 0 CDADHP C[C@@H]([NH2+]CC1=CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000392273137 539162224 /nfs/dbraw/zinc/16/22/24/539162224.db2.gz WLWOZGLEIHNUKC-CYBMUJFWSA-N 2 3 251.418 1.568 20 0 CDADHP CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000089145851 349280210 /nfs/dbraw/zinc/28/02/10/349280210.db2.gz FEHOCHDBKHCPKR-HUUCEWRRSA-N 2 3 253.434 1.825 20 0 CDADHP C[C@H](C[NH2+]C1CCC(C[NH3+])CC1)CN1CCCC1 ZINC000422701268 359650607 /nfs/dbraw/zinc/65/06/07/359650607.db2.gz CZSYNFKJEMWNDK-WLYUNCDWSA-N 2 3 253.434 1.825 20 0 CDADHP CC(C)[C@H](CN)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000634995273 360622775 /nfs/dbraw/zinc/62/27/75/360622775.db2.gz ZKBSFWGAULDRLG-OWCLPIDISA-N 2 3 267.461 1.929 20 0 CDADHP CC(C)[C@H](CN)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000634995273 360622778 /nfs/dbraw/zinc/62/27/78/360622778.db2.gz ZKBSFWGAULDRLG-OWCLPIDISA-N 2 3 267.461 1.929 20 0 CDADHP CC(C)[C@H](CN)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000634996611 360628237 /nfs/dbraw/zinc/62/82/37/360628237.db2.gz PHXIKIMQFNGHQL-HZPDHXFCSA-N 2 3 267.461 1.929 20 0 CDADHP CC(C)[C@H](CN)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000634996611 360628245 /nfs/dbraw/zinc/62/82/45/360628245.db2.gz PHXIKIMQFNGHQL-HZPDHXFCSA-N 2 3 267.461 1.929 20 0 CDADHP [NH3+]C[C@@H]1CCC[C@@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635012873 360657933 /nfs/dbraw/zinc/65/79/33/360657933.db2.gz WMOOZPWUGBGHAU-JSGCOSHPSA-N 2 3 275.400 1.031 20 0 CDADHP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CNC1 ZINC000422879710 245367771 /nfs/dbraw/zinc/36/77/71/245367771.db2.gz KTTBWAWDJNJUQF-KFWWJZLASA-N 2 3 267.461 1.942 20 0 CDADHP C[C@@H]1CN(CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000422913792 245399543 /nfs/dbraw/zinc/39/95/43/245399543.db2.gz QTANTSAIFLOJEA-SJJOOFSGSA-N 2 3 295.471 1.748 20 0 CDADHP CN1CCC[C@@H]2C[N@H+](CC3CC[NH2+]CC3)CC[C@H]21 ZINC000227337444 390925317 /nfs/dbraw/zinc/92/53/17/390925317.db2.gz DDJBCKVQVCPNQV-HUUCEWRRSA-N 2 3 251.418 1.402 20 0 CDADHP CN1CCC[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CC[C@H]21 ZINC000227337444 390925318 /nfs/dbraw/zinc/92/53/18/390925318.db2.gz DDJBCKVQVCPNQV-HUUCEWRRSA-N 2 3 251.418 1.402 20 0 CDADHP C[C@]1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCCNC1 ZINC000647547534 390990237 /nfs/dbraw/zinc/99/02/37/390990237.db2.gz YIWIIFQCUHMSHX-YJNKXOJESA-N 2 3 251.418 1.354 20 0 CDADHP CCOC(=O)C1([C@H](C)[NH2+]CCCNC2CC2)CC[NH2+]CC1 ZINC000423553679 392591999 /nfs/dbraw/zinc/59/19/99/392591999.db2.gz KSNDYIPBSFXXDN-ZDUSSCGKSA-N 2 3 297.443 1.040 20 0 CDADHP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)C1CC[NH+](C)CC1 ZINC000396442160 397894238 /nfs/dbraw/zinc/89/42/38/397894238.db2.gz ALQCIKCXESUXMC-NWANDNLSSA-N 2 3 253.434 1.824 20 0 CDADHP COCC1(CN[C@H]2C[C@H]([NH3+])c3ccccc32)CC[NH2+]CC1 ZINC000423409160 277199659 /nfs/dbraw/zinc/19/96/59/277199659.db2.gz PSRGHSBDXVBQSF-HOTGVXAUSA-N 2 3 289.423 1.737 20 0 CDADHP C[C@H](C[NH3+])CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000666825445 482938844 /nfs/dbraw/zinc/93/88/44/482938844.db2.gz DXEVIBPBIIOHJJ-OAHLLOKOSA-N 2 3 291.439 1.846 20 0 CDADHP C[C@H]([NH3+])C[C@H](C)NCc1cc2c(s1)CC[NH2+]C2 ZINC000873213753 1165524472 /nfs/dbraw/zinc/52/44/72/1165524472.db2.gz OSOKJLIYYFZSDY-UWVGGRQHSA-N 2 3 253.415 1.609 20 0 CDADHP CC1(C)C[C@H](N2CCC([C@H]3CCC[NH2+]3)CC2)CC[NH2+]1 ZINC001246832705 932229673 /nfs/dbraw/zinc/22/96/73/932229673.db2.gz NMHCGFCVYRQXCM-HUUCEWRRSA-N 2 3 265.445 1.981 20 0 CDADHP CC1(Nc2cccc(N3CCC([NH3+])CC3)n2)CC[NH2+]CC1 ZINC001157402963 938487272 /nfs/dbraw/zinc/48/72/72/938487272.db2.gz KLUHLVUVNTWEQT-UHFFFAOYSA-N 2 3 289.427 1.563 20 0 CDADHP [NH3+]CCCCN1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235379339 944139399 /nfs/dbraw/zinc/13/93/99/944139399.db2.gz OGWSZMMLDYLDFZ-SJORKVTESA-N 2 3 273.424 1.804 20 0 CDADHP C[C@H]1CC[C@@H](CNC2CCC([NH+](C)C)CC2)[NH2+]C1 ZINC001246103300 947953726 /nfs/dbraw/zinc/95/37/26/947953726.db2.gz HINRARQZBPSSFT-LQULJDIASA-N 2 3 253.434 1.837 20 0 CDADHP C[C@@H]1CC[C@H](CNC2CCC3(CC2)C[NH2+]CCO3)[NH2+]C1 ZINC001246105964 947957487 /nfs/dbraw/zinc/95/74/87/947957487.db2.gz CHVBJIYKPMQQBG-YHNBSYBMSA-N 2 3 281.444 1.265 20 0 CDADHP C[C@@H]1CC[NH2+]CC[C@H]1C[NH2+][C@H]1CCNC(C)(C)C1 ZINC001246106953 947957726 /nfs/dbraw/zinc/95/77/26/947957726.db2.gz GKXKHXYVXMAGMW-RDBSUJKOSA-N 2 3 253.434 1.742 20 0 CDADHP C[C@@H]1CC[NH2+]CC[C@H]1C[NH2+][C@@H]1CCNC(C)(C)C1 ZINC001246106944 947957762 /nfs/dbraw/zinc/95/77/62/947957762.db2.gz GKXKHXYVXMAGMW-HZSPNIEDSA-N 2 3 253.434 1.742 20 0 CDADHP CCCC[C@H]1C[C@@H](NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246159075 947998796 /nfs/dbraw/zinc/99/87/96/947998796.db2.gz WZBGAACOKQOJKN-QUSNUVHPSA-N 2 3 295.471 1.511 20 0 CDADHP C[C@H]1C[C@H]([NH2+]CC2(c3cccnc3)CC[NH2+]CC2)CCN1 ZINC001246423532 948167007 /nfs/dbraw/zinc/16/70/07/948167007.db2.gz OUAAUFDIKXWIHS-GOEBONIOSA-N 2 3 288.439 1.433 20 0 CDADHP C[C@H]1C[C@H](NCC2(c3cccnc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246423532 948167013 /nfs/dbraw/zinc/16/70/13/948167013.db2.gz OUAAUFDIKXWIHS-GOEBONIOSA-N 2 3 288.439 1.433 20 0 CDADHP CN[C@H]1C[C@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246459230 948184342 /nfs/dbraw/zinc/18/43/42/948184342.db2.gz CROCYOTZTIPGRL-HDJSIYSDSA-N 2 3 251.418 1.639 20 0 CDADHP C(N[C@H]1CCC2(C[NH2+]C2)C1)[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246459298 948185168 /nfs/dbraw/zinc/18/51/68/948185168.db2.gz DWBLRBYYCJUERL-GOEBONIOSA-N 2 3 263.429 1.640 20 0 CDADHP C[C@H]1C[NH2+]C[C@@H](N[C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246490637 948205508 /nfs/dbraw/zinc/20/55/08/948205508.db2.gz FJZLLBDDCXLNQP-RDBSUJKOSA-N 2 3 251.418 1.496 20 0 CDADHP CC1(C)C[C@H]([N@@H+]2CCC[C@](C)(C[NH3+])CC2)CCN1 ZINC001246573967 948295708 /nfs/dbraw/zinc/29/57/08/948295708.db2.gz HDBKZYFBHYQCTO-HIFRSBDPSA-N 2 3 253.434 1.968 20 0 CDADHP CC1(C)C[C@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)CCN1 ZINC001246573967 948295716 /nfs/dbraw/zinc/29/57/16/948295716.db2.gz HDBKZYFBHYQCTO-HIFRSBDPSA-N 2 3 253.434 1.968 20 0 CDADHP C1N([C@H]2CCC[C@]3(CC[NH2+]C3)C2)CC12CCC[NH2+]C2 ZINC001246606152 948340856 /nfs/dbraw/zinc/34/08/56/948340856.db2.gz MIRMWUHAQVNAEV-GJZGRUSLSA-N 2 3 263.429 1.594 20 0 CDADHP CC[C@@H]1C[C@H](N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246632612 948369239 /nfs/dbraw/zinc/36/92/39/948369239.db2.gz YLWRQPKOBFZIDQ-UHDSXZAQSA-N 2 3 295.471 1.606 20 0 CDADHP F[C@H]1CCNC[C@@]12CC[N@@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246698545 948409492 /nfs/dbraw/zinc/40/94/92/948409492.db2.gz YRTFNIYSJYPVBJ-ODZFXCKXSA-N 2 3 295.446 1.932 20 0 CDADHP F[C@H]1CCNC[C@@]12CC[N@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246698545 948409496 /nfs/dbraw/zinc/40/94/96/948409496.db2.gz YRTFNIYSJYPVBJ-ODZFXCKXSA-N 2 3 295.446 1.932 20 0 CDADHP C1C[C@]2(C[NH2+]1)CCC[C@@H](N1C[C@H]3CC[C@@H](C1)[NH2+]C3)C2 ZINC001246869988 948496093 /nfs/dbraw/zinc/49/60/93/948496093.db2.gz XRJQCVULKLIFMR-CAOSSQGBSA-N 2 3 263.429 1.593 20 0 CDADHP C[C@H]([NH2+][C@@H]1[C@@H]2CCCN[C@H]2C1(C)C)C1CC[NH2+]CC1 ZINC001553024977 964488888 /nfs/dbraw/zinc/48/88/88/964488888.db2.gz CZCVYUGJXGMMOA-ZGKBOVNRSA-N 2 3 265.445 1.741 20 0 CDADHP C[C@@]12C[NH2+]C[C@@]1(C)CN(CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001550437535 965938152 /nfs/dbraw/zinc/93/81/52/965938152.db2.gz PEYLBZQIWLNTIY-QHEDDYRISA-N 2 3 277.456 1.839 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H]1CN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001551391347 966605032 /nfs/dbraw/zinc/60/50/32/966605032.db2.gz DBLDXXNYXMKMTE-HZPDHXFCSA-N 2 3 287.451 1.834 20 0 CDADHP CCN1CCC[C@H]1CNC(=[NH2+])NCCC[NH2+]C(C)(C)C ZINC000848994003 969387217 /nfs/dbraw/zinc/38/72/17/969387217.db2.gz FECDPIIQMLCKDZ-ZDUSSCGKSA-N 2 3 283.464 1.363 20 0 CDADHP C(CC1CC[NH2+]CC1)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000650763416 398184406 /nfs/dbraw/zinc/18/44/06/398184406.db2.gz ZQDFTRJVJXCDEU-LSDHHAIUSA-N 2 3 251.418 1.593 20 0 CDADHP C(CC1CC[NH2+]CC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000650763416 398184410 /nfs/dbraw/zinc/18/44/10/398184410.db2.gz ZQDFTRJVJXCDEU-LSDHHAIUSA-N 2 3 251.418 1.593 20 0 CDADHP C(CC1CC[NH2+]CC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000650763416 398184412 /nfs/dbraw/zinc/18/44/12/398184412.db2.gz ZQDFTRJVJXCDEU-LSDHHAIUSA-N 2 3 251.418 1.593 20 0 CDADHP C[C@@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415014335 539055635 /nfs/dbraw/zinc/05/56/35/539055635.db2.gz WSYPPNRHQFYHTB-CYUUQNCZSA-N 2 3 251.418 1.495 20 0 CDADHP C[C@@H](CCCC[NH3+])[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000422914186 359671066 /nfs/dbraw/zinc/67/10/66/359671066.db2.gz SBXXQVRDDFPWBL-HRCADAONSA-N 2 3 285.476 1.983 20 0 CDADHP CSC1(CN[C@H](C)[C@@H]2CCCC[NH2+]2)CC[NH+](C)CC1 ZINC000423123099 359751220 /nfs/dbraw/zinc/75/12/20/359751220.db2.gz MASDVEVFANDJOM-KGLIPLIRSA-N 2 3 285.501 1.934 20 0 CDADHP CCCN1CC[C@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422974863 359732264 /nfs/dbraw/zinc/73/22/64/359732264.db2.gz RWGCLACSUOWZKJ-SHARSMKWSA-N 2 3 253.434 1.825 20 0 CDADHP CC(C)[C@@H](CN)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000634996610 360627990 /nfs/dbraw/zinc/62/79/90/360627990.db2.gz PHXIKIMQFNGHQL-HOTGVXAUSA-N 2 3 267.461 1.929 20 0 CDADHP CC(C)[C@@H](CN)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000634996610 360627993 /nfs/dbraw/zinc/62/79/93/360627993.db2.gz PHXIKIMQFNGHQL-HOTGVXAUSA-N 2 3 267.461 1.929 20 0 CDADHP CC[NH+](CC)CCCC1CCN(C[C@@](C)(O)C[NH2+]C)CC1 ZINC000566919907 370840546 /nfs/dbraw/zinc/84/05/46/370840546.db2.gz XXIRLNWYLNNDLJ-KRWDZBQOSA-N 2 3 299.503 1.791 20 0 CDADHP CC[NH+](CC)CCCC1CC[NH+](C[C@@](C)(O)CNC)CC1 ZINC000566919907 370840553 /nfs/dbraw/zinc/84/05/53/370840553.db2.gz XXIRLNWYLNNDLJ-KRWDZBQOSA-N 2 3 299.503 1.791 20 0 CDADHP C[C@]1(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)CC[NH2+]C1 ZINC000567870857 371177978 /nfs/dbraw/zinc/17/79/78/371177978.db2.gz RZCAMFMLUOPLEI-PMPSAXMXSA-N 2 3 281.444 1.204 20 0 CDADHP C(C[NH+]1CCC(N2CCCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000384349336 373171886 /nfs/dbraw/zinc/17/18/86/373171886.db2.gz DMLKUMJSQRHSSX-AWEZNQCLSA-N 2 3 251.418 1.546 20 0 CDADHP CC(C)[N@H+](C)CC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000649411799 392196165 /nfs/dbraw/zinc/19/61/65/392196165.db2.gz DCQSXNGXBAZPNQ-HNNXBMFYSA-N 2 3 253.434 1.648 20 0 CDADHP CC(C)[N@@H+](C)CC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000649411799 392196167 /nfs/dbraw/zinc/19/61/67/392196167.db2.gz DCQSXNGXBAZPNQ-HNNXBMFYSA-N 2 3 253.434 1.648 20 0 CDADHP C(C[C@H]1CC[NH2+]C1)[NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000423243033 392464691 /nfs/dbraw/zinc/46/46/91/392464691.db2.gz GCFADUUNIOKDBN-QXSJWSMHSA-N 2 3 265.445 1.886 20 0 CDADHP C([C@H]1CCC2(CNC2)O1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662274247 414605453 /nfs/dbraw/zinc/60/54/53/414605453.db2.gz SIBIYSCHSFMWNK-OWCLPIDISA-N 2 3 293.455 1.219 20 0 CDADHP C([C@H]1CCC2(CNC2)O1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662274247 414605455 /nfs/dbraw/zinc/60/54/55/414605455.db2.gz SIBIYSCHSFMWNK-OWCLPIDISA-N 2 3 293.455 1.219 20 0 CDADHP C([C@H]1CCC2(CNC2)O1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662291893 414618287 /nfs/dbraw/zinc/61/82/87/414618287.db2.gz AKSQCQUYORVRLH-HZPDHXFCSA-N 2 3 293.455 1.219 20 0 CDADHP C([C@H]1CCC2(CNC2)O1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662291893 414618289 /nfs/dbraw/zinc/61/82/89/414618289.db2.gz AKSQCQUYORVRLH-HZPDHXFCSA-N 2 3 293.455 1.219 20 0 CDADHP [NH3+][C@@H]1CCO[C@@H](C2CCN(C[C@H]3CCCC[NH2+]C3)CC2)C1 ZINC000903760671 626082067 /nfs/dbraw/zinc/08/20/67/626082067.db2.gz JGLREIAUYOMFEC-USXIJHARSA-N 2 3 295.471 1.594 20 0 CDADHP C[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1CN ZINC000903930065 626150942 /nfs/dbraw/zinc/15/09/42/626150942.db2.gz RDVYIBPCLXXCTL-AILVEWFUSA-N 2 3 251.418 1.434 20 0 CDADHP C[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1CN ZINC000903930065 626150944 /nfs/dbraw/zinc/15/09/44/626150944.db2.gz RDVYIBPCLXXCTL-AILVEWFUSA-N 2 3 251.418 1.434 20 0 CDADHP C[C@]1(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CCC[NH2+]C1 ZINC000904373123 626268942 /nfs/dbraw/zinc/26/89/42/626268942.db2.gz BBWCWKXSVGHOPL-HZMVEIRTSA-N 2 3 295.471 1.594 20 0 CDADHP CC1([NH+]2CCC2)CCN(C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001576534278 1171450156 /nfs/dbraw/zinc/45/01/56/1171450156.db2.gz NRFYZLYCOMXLOB-UONOGXRCSA-N 2 3 251.418 1.674 20 0 CDADHP CC(C)[NH+]1CCC(NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000873291828 785589380 /nfs/dbraw/zinc/58/93/80/785589380.db2.gz YIAHCXYIDMRTEY-MRXNPFEDSA-N 2 3 295.471 1.608 20 0 CDADHP CC[C@@H]1C[C@H]([N@H+](C)CCC2CC[NH2+]CC2)CCN1 ZINC001246793256 932211434 /nfs/dbraw/zinc/21/14/34/932211434.db2.gz BYAIEZDRDINIGE-HUUCEWRRSA-N 2 3 253.434 1.839 20 0 CDADHP CC[C@@H]1C[C@H]([N@@H+](C)CCC2CC[NH2+]CC2)CCN1 ZINC001246793256 932211439 /nfs/dbraw/zinc/21/14/39/932211439.db2.gz BYAIEZDRDINIGE-HUUCEWRRSA-N 2 3 253.434 1.839 20 0 CDADHP C([C@H]1CC[NH2+]C1)N1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235234266 944100708 /nfs/dbraw/zinc/10/07/08/944100708.db2.gz WYTPNESZHVLNSW-DZGCQCFKSA-N 2 3 251.418 1.450 20 0 CDADHP C(C[N@H+](C[C@H]1CCCNC1)C1CCCC1)[C@@H]1C[NH2+]CCO1 ZINC001236370587 944486032 /nfs/dbraw/zinc/48/60/32/944486032.db2.gz IEMKAMBWDUQNBA-DOTOQJQBSA-N 2 3 295.471 1.609 20 0 CDADHP C(C[N@@H+](C[C@H]1CCCNC1)C1CCCC1)[C@@H]1C[NH2+]CCO1 ZINC001236370587 944486041 /nfs/dbraw/zinc/48/60/41/944486041.db2.gz IEMKAMBWDUQNBA-DOTOQJQBSA-N 2 3 295.471 1.609 20 0 CDADHP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001246109778 947962157 /nfs/dbraw/zinc/96/21/57/947962157.db2.gz KVNQWMIYWGYDSM-UVPYHEFZSA-N 2 3 265.445 1.979 20 0 CDADHP C[C@@H]1C[C@H](NC[C@@H]2CCC3(CC[NH2+]CC3)O2)CC[NH2+]1 ZINC001246138393 947983609 /nfs/dbraw/zinc/98/36/09/947983609.db2.gz ZNZSLDKXXVHFIJ-MCIONIFRSA-N 2 3 267.417 1.018 20 0 CDADHP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)O2)CCN1 ZINC001246138393 947983615 /nfs/dbraw/zinc/98/36/15/947983615.db2.gz ZNZSLDKXXVHFIJ-MCIONIFRSA-N 2 3 267.417 1.018 20 0 CDADHP CCCC[C@@H]1C[C@@H](NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001246145982 947988603 /nfs/dbraw/zinc/98/86/03/947988603.db2.gz GNOSYFTYPRMOCB-NQNKBUKLSA-N 2 3 295.471 1.511 20 0 CDADHP CC[C@@H]1C[C@@H](N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)C[C@H](CC)[NH2+]1 ZINC001246254986 948059979 /nfs/dbraw/zinc/05/99/79/948059979.db2.gz IEGQNJXZNXXTCJ-ZHCJQAHYSA-N 2 3 295.471 1.796 20 0 CDADHP CC(C)(C)[C@H]1C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)CCN1 ZINC001246461719 948186738 /nfs/dbraw/zinc/18/67/38/948186738.db2.gz FIADKKYSKIEHQF-MGPQQGTHSA-N 2 3 253.434 1.742 20 0 CDADHP CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC[C@@H](C[NH3+])C1)C2 ZINC001246580894 948310124 /nfs/dbraw/zinc/31/01/24/948310124.db2.gz IQOJKAWRILOJSI-XQLPTFJDSA-N 2 3 251.418 1.672 20 0 CDADHP CN1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC[C@@H](C[NH3+])C1)C2 ZINC001246580894 948310132 /nfs/dbraw/zinc/31/01/32/948310132.db2.gz IQOJKAWRILOJSI-XQLPTFJDSA-N 2 3 251.418 1.672 20 0 CDADHP c1ccc(C[C@H]2C[C@H]([N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CCN2)cc1 ZINC001246622542 948357094 /nfs/dbraw/zinc/35/70/94/948357094.db2.gz HRZLVDFPOJGFDZ-XWTMOSNGSA-N 2 3 285.435 1.501 20 0 CDADHP c1ccc(C[C@H]2C[C@H]([N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CCN2)cc1 ZINC001246622542 948357105 /nfs/dbraw/zinc/35/71/05/948357105.db2.gz HRZLVDFPOJGFDZ-XWTMOSNGSA-N 2 3 285.435 1.501 20 0 CDADHP N[C@@]12C[C@@H]1CC[N@@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001246650757 948388879 /nfs/dbraw/zinc/38/88/79/948388879.db2.gz BOGZVGKPLJOZFO-XJKSGUPXSA-N 2 3 272.396 1.474 20 0 CDADHP N[C@@]12C[C@@H]1CC[N@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001246650757 948388886 /nfs/dbraw/zinc/38/88/86/948388886.db2.gz BOGZVGKPLJOZFO-XJKSGUPXSA-N 2 3 272.396 1.474 20 0 CDADHP CC(C)[C@H]1C[C@H](N2CCC(C3C[NH2+]C3)CC2)CC[NH2+]1 ZINC001246676225 948401537 /nfs/dbraw/zinc/40/15/37/948401537.db2.gz CWALSMDSVMFMFQ-HZPDHXFCSA-N 2 3 265.445 1.694 20 0 CDADHP C[C@H]1C[C@H]([N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CCN1 ZINC001246679895 948402894 /nfs/dbraw/zinc/40/28/94/948402894.db2.gz ZLTIDLJBIVNCKP-XUWVNRHRSA-N 2 3 265.445 1.839 20 0 CDADHP C[C@H]1C[C@H]([N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CCN1 ZINC001246679895 948402899 /nfs/dbraw/zinc/40/28/99/948402899.db2.gz ZLTIDLJBIVNCKP-XUWVNRHRSA-N 2 3 265.445 1.839 20 0 CDADHP CC(C)[C@@H]1C[C@H]([N@H+](C)CC2CC[NH2+]CC2)CCN1 ZINC001246682152 948403396 /nfs/dbraw/zinc/40/33/96/948403396.db2.gz SYAZHPRNTWHZPZ-CABCVRRESA-N 2 3 253.434 1.694 20 0 CDADHP CC(C)[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH2+]CC2)CCN1 ZINC001246682152 948403399 /nfs/dbraw/zinc/40/33/99/948403399.db2.gz SYAZHPRNTWHZPZ-CABCVRRESA-N 2 3 253.434 1.694 20 0 CDADHP C1NCC12CCC[N@@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246791024 948440099 /nfs/dbraw/zinc/44/00/99/948440099.db2.gz JCQOPODTHVDHEU-UHFFFAOYSA-N 2 3 263.429 1.594 20 0 CDADHP C1NCC12CCC[N@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246791024 948440103 /nfs/dbraw/zinc/44/01/03/948440103.db2.gz JCQOPODTHVDHEU-UHFFFAOYSA-N 2 3 263.429 1.594 20 0 CDADHP C1[NH2+]CC12CCCN(C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246791024 948440112 /nfs/dbraw/zinc/44/01/12/948440112.db2.gz JCQOPODTHVDHEU-UHFFFAOYSA-N 2 3 263.429 1.594 20 0 CDADHP CC[C@@H]1CC([N@@H+]2C[C@@H]3CC[C@@]3(N)C2)C[C@@H](CC)[NH2+]1 ZINC001246855056 948479709 /nfs/dbraw/zinc/47/97/09/948479709.db2.gz SFLHSSDLSTWPLW-KYEXWDHISA-N 2 3 251.418 1.719 20 0 CDADHP CC[C@@H]1CC([N@H+]2C[C@@H]3CC[C@@]3(N)C2)C[C@@H](CC)[NH2+]1 ZINC001246855056 948479715 /nfs/dbraw/zinc/47/97/15/948479715.db2.gz SFLHSSDLSTWPLW-KYEXWDHISA-N 2 3 251.418 1.719 20 0 CDADHP NC[C@H]1CCC[C@@H]1[NH2+]C1CC(C[NH3+])(c2ccccc2)C1 ZINC001550945046 966297832 /nfs/dbraw/zinc/29/78/32/966297832.db2.gz QYPMCYJKVSNLMG-AKBUMOGYSA-N 2 3 273.424 1.763 20 0 CDADHP CC[C@@H]1CN(CC2CC[NH+](CC)CC2)CC[C@H]1[NH3+] ZINC001577280237 1171637131 /nfs/dbraw/zinc/63/71/31/1171637131.db2.gz ZOFCEVSRMZJOIU-HUUCEWRRSA-N 2 3 253.434 1.778 20 0 CDADHP CC[C@@H]1C[N@H+](CC2CC[NH+](CC)CC2)CC[C@H]1N ZINC001577280237 1171637133 /nfs/dbraw/zinc/63/71/33/1171637133.db2.gz ZOFCEVSRMZJOIU-HUUCEWRRSA-N 2 3 253.434 1.778 20 0 CDADHP CC[C@@H]1C[N@@H+](CC2CC[NH+](CC)CC2)CC[C@H]1N ZINC001577280237 1171637136 /nfs/dbraw/zinc/63/71/36/1171637136.db2.gz ZOFCEVSRMZJOIU-HUUCEWRRSA-N 2 3 253.434 1.778 20 0 CDADHP C[C@@H](NCCC1CC[NH+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000386486018 356649564 /nfs/dbraw/zinc/64/95/64/356649564.db2.gz SXPIPBRAAYWQLX-HIFRSBDPSA-N 2 3 253.434 1.839 20 0 CDADHP CC(C)[C@@H](C[NH3+])CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000634994658 360622286 /nfs/dbraw/zinc/62/22/86/360622286.db2.gz JTUKOIDAWYBMQI-ZNMIVQPWSA-N 2 3 269.433 1.046 20 0 CDADHP CC(C)[C@@H](CN)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000634994658 360622289 /nfs/dbraw/zinc/62/22/89/360622289.db2.gz JTUKOIDAWYBMQI-ZNMIVQPWSA-N 2 3 269.433 1.046 20 0 CDADHP C[C@H]1CCNCC[C@@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000422733402 245189709 /nfs/dbraw/zinc/18/97/09/245189709.db2.gz BEMSXBPXODMEQG-ZFWWWQNUSA-N 2 3 253.434 1.696 20 0 CDADHP C[C@H]1C[C@@H](CN2CCC([NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000384577383 373177905 /nfs/dbraw/zinc/17/79/05/373177905.db2.gz RYMIVWRTTGDTFB-GJZGRUSLSA-N 2 3 265.445 1.935 20 0 CDADHP C[C@H]1C[C@@H](C[NH+]2CCC(N3CCCC3)CC2)CC[NH2+]1 ZINC000384577383 373177910 /nfs/dbraw/zinc/17/79/10/373177910.db2.gz RYMIVWRTTGDTFB-GJZGRUSLSA-N 2 3 265.445 1.935 20 0 CDADHP C([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCN(C2CC2)C1 ZINC000093452414 390644641 /nfs/dbraw/zinc/64/46/41/390644641.db2.gz LRYBRXFQUQNEGZ-HJWJTTGWSA-N 2 3 277.456 1.981 20 0 CDADHP C[NH+]1CCC2(CCCN2C[C@H]2CCC[NH2+]C2)CC1 ZINC000261975142 392028136 /nfs/dbraw/zinc/02/81/36/392028136.db2.gz QRNZXUBZSXAGMB-AWEZNQCLSA-N 2 3 251.418 1.546 20 0 CDADHP NC[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CC12CCOCC2 ZINC000568090215 392362077 /nfs/dbraw/zinc/36/20/77/392362077.db2.gz YGPDNMBTGNDEQZ-GJZGRUSLSA-N 2 3 281.444 1.063 20 0 CDADHP NC[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC12CCOCC2 ZINC000568090215 392362081 /nfs/dbraw/zinc/36/20/81/392362081.db2.gz YGPDNMBTGNDEQZ-GJZGRUSLSA-N 2 3 281.444 1.063 20 0 CDADHP COCC1(CN[C@H](C)C[C@@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000414976745 292249140 /nfs/dbraw/zinc/24/91/40/292249140.db2.gz QACCBNZYCZEKJV-KGLIPLIRSA-N 2 3 269.433 1.123 20 0 CDADHP CC[NH+](CC)CCOCCN[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000349670668 279109035 /nfs/dbraw/zinc/10/90/35/279109035.db2.gz VITKJUKJRHNGNP-JKSUJKDBSA-N 2 3 285.476 1.665 20 0 CDADHP CC[NH+](CC)CCOCCN[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000349670668 279109037 /nfs/dbraw/zinc/10/90/37/279109037.db2.gz VITKJUKJRHNGNP-JKSUJKDBSA-N 2 3 285.476 1.665 20 0 CDADHP C[C@@H](CC[NH3+])NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000666831934 482943014 /nfs/dbraw/zinc/94/30/14/482943014.db2.gz MKRXJOBTFXPUCN-HNNXBMFYSA-N 2 3 291.439 1.988 20 0 CDADHP C[NH+]1CCC(CN2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000895121336 619316362 /nfs/dbraw/zinc/31/63/62/619316362.db2.gz LPFIZWMCWRGQML-UHFFFAOYSA-N 2 3 281.444 1.125 20 0 CDADHP C[C@@H]1C[C@H](C)N(Cc2ccc(C[NH3+])cc2)C[C@H]1C[NH3+] ZINC000904372728 626268708 /nfs/dbraw/zinc/26/87/08/626268708.db2.gz HWHBOZNQIOGOSC-DVOMOZLQSA-N 2 3 261.413 1.951 20 0 CDADHP C[NH+](C)C1CCC([N@@H+]2CCCC[C@@H](CN)C2)CC1 ZINC000715203340 913918400 /nfs/dbraw/zinc/91/84/00/913918400.db2.gz QZLGTSQUILVXRF-NFOMZHRRSA-N 2 3 253.434 1.920 20 0 CDADHP C[NH+](C)C1CCC([N@H+]2CCCC[C@@H](CN)C2)CC1 ZINC000715203340 913918415 /nfs/dbraw/zinc/91/84/15/913918415.db2.gz QZLGTSQUILVXRF-NFOMZHRRSA-N 2 3 253.434 1.920 20 0 CDADHP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCN(CCCC[NH3+])CC1)C2 ZINC001172108753 911273134 /nfs/dbraw/zinc/27/31/34/911273134.db2.gz DQINGEAYAXSLSJ-FVQHAEBGSA-N 2 3 294.487 1.358 20 0 CDADHP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCN(CCCC[NH3+])CC1)C2 ZINC001172108753 911273139 /nfs/dbraw/zinc/27/31/39/911273139.db2.gz DQINGEAYAXSLSJ-FVQHAEBGSA-N 2 3 294.487 1.358 20 0 CDADHP COCCCN1CCC([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001172247913 911521079 /nfs/dbraw/zinc/52/10/79/911521079.db2.gz PRFAHMSJUOLNKE-IAGOWNOFSA-N 2 3 297.487 1.950 20 0 CDADHP CCN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)[C@H]1CCC[NH2+]C1 ZINC001161340683 938892769 /nfs/dbraw/zinc/89/27/69/938892769.db2.gz SHPABUFNRNZGER-GJZGRUSLSA-N 2 3 298.475 1.083 20 0 CDADHP C[C@@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)CCC[C@H]1C[NH3+] ZINC001206024123 939969056 /nfs/dbraw/zinc/96/90/56/939969056.db2.gz HWJIOBIGTZHRDJ-NEPJUHHUSA-N 2 3 294.468 1.596 20 0 CDADHP CC[C@@H]1CC(NC[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)C[C@@H](CC)[NH2+]1 ZINC001246139827 947982440 /nfs/dbraw/zinc/98/24/40/947982440.db2.gz BVPJUSNSVSCXOS-ZQQZQOJVSA-N 2 3 295.471 1.510 20 0 CDADHP CC[C@@]1(CNC2CCC3(C[NH2+]C3)CC2)CCC[NH2+]1 ZINC001246456884 948183235 /nfs/dbraw/zinc/18/32/35/948183235.db2.gz PGKTYNQZVDZGMS-HNNXBMFYSA-N 2 3 251.418 1.640 20 0 CDADHP CN[C@H]1C[C@@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246490503 948204478 /nfs/dbraw/zinc/20/44/78/948204478.db2.gz CROCYOTZTIPGRL-OKILXGFUSA-N 2 3 251.418 1.639 20 0 CDADHP C1CC1[C@@H]([NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1)C1CNC1 ZINC001246513875 948218228 /nfs/dbraw/zinc/21/82/28/948218228.db2.gz FOLLGVBBSYVJQU-XHSDSOJGSA-N 2 3 263.429 1.496 20 0 CDADHP C1N([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC12CCC[NH2+]C2 ZINC001246606157 948341305 /nfs/dbraw/zinc/34/13/05/948341305.db2.gz MIRMWUHAQVNAEV-LSDHHAIUSA-N 2 3 263.429 1.594 20 0 CDADHP CCCC[C@@H]1C[C@H](N2CC[C@H]3C[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001246624915 948358465 /nfs/dbraw/zinc/35/84/65/948358465.db2.gz PXXGLTLFWQSVQJ-ZJIFWQFVSA-N 2 3 265.445 1.981 20 0 CDADHP C1[NH2+]C[C@H]2C[C@H]([N@@H+]3CCCC[C@@]34CCCNC4)C[C@@H]12 ZINC001246655297 948389752 /nfs/dbraw/zinc/38/97/52/948389752.db2.gz YWLHTBABQUMKPG-JJXSEGSLSA-N 2 3 263.429 1.593 20 0 CDADHP C1[NH2+]C[C@H]2C[C@H]([N@H+]3CCCC[C@@]34CCCNC4)C[C@@H]12 ZINC001246655297 948389758 /nfs/dbraw/zinc/38/97/58/948389758.db2.gz YWLHTBABQUMKPG-JJXSEGSLSA-N 2 3 263.429 1.593 20 0 CDADHP C[NH2+]CC[C@H](C)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246677588 948400912 /nfs/dbraw/zinc/40/09/12/948400912.db2.gz JUNYKWHUBHLWNX-RRFJBIMHSA-N 2 3 253.434 1.696 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H]1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC001550350181 965872366 /nfs/dbraw/zinc/87/23/66/965872366.db2.gz JPPXVTCZELJUKX-FVQBIDKESA-N 2 3 265.445 1.554 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]C2CC(C[NH3+])(c3ccccc3)C2)CCN1 ZINC001550944238 966296301 /nfs/dbraw/zinc/29/63/01/966296301.db2.gz LJGYLDMAWBKCMQ-XNGJBWTFSA-N 2 3 273.424 1.776 20 0 CDADHP C[C@@H]1C[C@@H](NC2CC(C[NH3+])(c3ccccc3)C2)CC[NH2+]1 ZINC001550944238 966296311 /nfs/dbraw/zinc/29/63/11/966296311.db2.gz LJGYLDMAWBKCMQ-XNGJBWTFSA-N 2 3 273.424 1.776 20 0 CDADHP NC[C@]12CCC[C@@H]1C[N@H+](CCC1CC[NH2+]CC1)C2 ZINC001549118339 968027592 /nfs/dbraw/zinc/02/75/92/968027592.db2.gz ZQDYTPZMRNGLHC-CABCVRRESA-N 2 3 251.418 1.437 20 0 CDADHP NC[C@]12CCC[C@@H]1C[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC001549118339 968027607 /nfs/dbraw/zinc/02/76/07/968027607.db2.gz ZQDYTPZMRNGLHC-CABCVRRESA-N 2 3 251.418 1.437 20 0 CDADHP C[NH2+]Cc1ccccc1CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000650755979 398179245 /nfs/dbraw/zinc/17/92/45/398179245.db2.gz QWOHBVLVGBSKTE-XJKSGUPXSA-N 2 3 261.413 1.884 20 0 CDADHP C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C[C@H](C)O1 ZINC000422913965 359671357 /nfs/dbraw/zinc/67/13/57/359671357.db2.gz RHNACHDNWOPEOV-WCXIOVBPSA-N 2 3 297.487 1.854 20 0 CDADHP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000422836309 359660344 /nfs/dbraw/zinc/66/03/44/359660344.db2.gz QYPMPEPQVCBZJW-VNHYZAJKSA-N 2 3 251.418 1.448 20 0 CDADHP CC(C)[C@H](C[NH3+])CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000634994657 360621702 /nfs/dbraw/zinc/62/17/02/360621702.db2.gz JTUKOIDAWYBMQI-KFWWJZLASA-N 2 3 269.433 1.046 20 0 CDADHP CC(C)[C@H](CN)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000634994657 360621705 /nfs/dbraw/zinc/62/17/05/360621705.db2.gz JTUKOIDAWYBMQI-KFWWJZLASA-N 2 3 269.433 1.046 20 0 CDADHP c1cc(N2CCNCC2)cc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[nH+]1 ZINC000635008484 360659830 /nfs/dbraw/zinc/65/98/30/360659830.db2.gz DZDRWLJNNVJDJH-PBWFPOADSA-N 2 3 287.411 1.186 20 0 CDADHP CC[NH+](CC)CCOCCN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000349670666 360928669 /nfs/dbraw/zinc/92/86/69/360928669.db2.gz VITKJUKJRHNGNP-HOTGVXAUSA-N 2 3 285.476 1.665 20 0 CDADHP CC[NH+](CC)CCOCCN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000349670666 360928674 /nfs/dbraw/zinc/92/86/74/360928674.db2.gz VITKJUKJRHNGNP-HOTGVXAUSA-N 2 3 285.476 1.665 20 0 CDADHP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000566481241 370748013 /nfs/dbraw/zinc/74/80/13/370748013.db2.gz BPQMSDCPBFFRIY-GJZGRUSLSA-N 2 3 253.434 1.968 20 0 CDADHP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@H]1CCCNC1 ZINC000567638201 371076408 /nfs/dbraw/zinc/07/64/08/371076408.db2.gz ZMULXONRHOIOTC-HESLUPGFSA-N 2 3 253.434 1.837 20 0 CDADHP NC[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665300059 414045269 /nfs/dbraw/zinc/04/52/69/414045269.db2.gz XQJLNVHKJHOIOV-HOTGVXAUSA-N 2 3 265.445 1.825 20 0 CDADHP CC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCCNCC1 ZINC000414718261 535773096 /nfs/dbraw/zinc/77/30/96/535773096.db2.gz RAUPLWFFNDRPLB-RRFJBIMHSA-N 2 3 253.434 1.839 20 0 CDADHP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCCNCC1 ZINC000414718261 535773097 /nfs/dbraw/zinc/77/30/97/535773097.db2.gz RAUPLWFFNDRPLB-RRFJBIMHSA-N 2 3 253.434 1.839 20 0 CDADHP C[NH+](C)Cc1cccc(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000422810080 536034586 /nfs/dbraw/zinc/03/45/86/536034586.db2.gz RDFWPUDWZJDQPU-HOTGVXAUSA-N 2 3 261.413 1.965 20 0 CDADHP C([NH2+][C@H]1CCNC[C@@H]1C1CCCC1)C1CC[NH2+]CC1 ZINC000925688306 617682304 /nfs/dbraw/zinc/68/23/04/617682304.db2.gz DBBXNPROJFTEQI-CVEARBPZSA-N 2 3 265.445 1.744 20 0 CDADHP C[C@]1(C[NH+]2CCC3(CC[NH2+]C3)CC2)CCCNC1 ZINC000904349539 626261362 /nfs/dbraw/zinc/26/13/62/626261362.db2.gz AEHNPQPPIZCURV-AWEZNQCLSA-N 2 3 251.418 1.452 20 0 CDADHP CC[C@H]1C[N@@H+](CC2CC[NH+](CC)CC2)CC[C@@H]1N ZINC001577280235 1171637097 /nfs/dbraw/zinc/63/70/97/1171637097.db2.gz ZOFCEVSRMZJOIU-GJZGRUSLSA-N 2 3 253.434 1.778 20 0 CDADHP CC[C@H]1CN(CC2CC[NH+](CC)CC2)CC[C@@H]1[NH3+] ZINC001577280235 1171637092 /nfs/dbraw/zinc/63/70/92/1171637092.db2.gz ZOFCEVSRMZJOIU-GJZGRUSLSA-N 2 3 253.434 1.778 20 0 CDADHP CC[C@H]1C[N@H+](CC2CC[NH+](CC)CC2)CC[C@@H]1N ZINC001577280235 1171637095 /nfs/dbraw/zinc/63/70/95/1171637095.db2.gz ZOFCEVSRMZJOIU-GJZGRUSLSA-N 2 3 253.434 1.778 20 0 CDADHP C(C[N@H+](C[C@@H]1CCCNC1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236584500 915752110 /nfs/dbraw/zinc/75/21/10/915752110.db2.gz FRMOMWFTCBAIEX-HUUCEWRRSA-N 2 3 265.445 1.840 20 0 CDADHP C(C[N@@H+](C[C@@H]1CCCNC1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236584500 915752122 /nfs/dbraw/zinc/75/21/22/915752122.db2.gz FRMOMWFTCBAIEX-HUUCEWRRSA-N 2 3 265.445 1.840 20 0 CDADHP C[NH+](C)C1CCC([NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000863543473 929566156 /nfs/dbraw/zinc/56/61/56/929566156.db2.gz ZLHJOHPPCKIMMB-JXQTWKCFSA-N 2 3 251.418 1.733 20 0 CDADHP CN1CCC[C@H]1CC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931438357 933559196 /nfs/dbraw/zinc/55/91/96/933559196.db2.gz KDTULIXKKIMGAN-ZNMIVQPWSA-N 2 3 251.418 1.354 20 0 CDADHP CN1CCC[C@H]1CC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931438357 933559204 /nfs/dbraw/zinc/55/92/04/933559204.db2.gz KDTULIXKKIMGAN-ZNMIVQPWSA-N 2 3 251.418 1.354 20 0 CDADHP CN1CCC[C@H]1CC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931438357 933559209 /nfs/dbraw/zinc/55/92/09/933559209.db2.gz KDTULIXKKIMGAN-ZNMIVQPWSA-N 2 3 251.418 1.354 20 0 CDADHP CN1CCC[C@H]1CC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931438357 933559219 /nfs/dbraw/zinc/55/92/19/933559219.db2.gz KDTULIXKKIMGAN-ZNMIVQPWSA-N 2 3 251.418 1.354 20 0 CDADHP CC(C)(C)[NH2+]C[C@@H](O)CN1CCC[C@@](C)(C[NH3+])CC1 ZINC001246020101 947901086 /nfs/dbraw/zinc/90/10/86/947901086.db2.gz HQPZDXQKCUYAMB-UKRRQHHQSA-N 2 3 271.449 1.186 20 0 CDADHP CC(C)(C)NC[C@@H](O)C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246020101 947901095 /nfs/dbraw/zinc/90/10/95/947901095.db2.gz HQPZDXQKCUYAMB-UKRRQHHQSA-N 2 3 271.449 1.186 20 0 CDADHP CC(C)(C)NC[C@@H](O)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246020101 947901101 /nfs/dbraw/zinc/90/11/01/947901101.db2.gz HQPZDXQKCUYAMB-UKRRQHHQSA-N 2 3 271.449 1.186 20 0 CDADHP CC[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[NH2+]CC2)CCN1 ZINC001246097591 947948609 /nfs/dbraw/zinc/94/86/09/947948609.db2.gz ZCXRBMFQCCRYIC-RBSFLKMASA-N 2 3 253.434 1.886 20 0 CDADHP C[C@@H]1CC[C@@H](NCC[C@@H]2CCOC23CC[NH2+]CC3)C[NH2+]1 ZINC001246135576 947980272 /nfs/dbraw/zinc/98/02/72/947980272.db2.gz BIPICMRJUNUTTH-RBSFLKMASA-N 2 3 281.444 1.265 20 0 CDADHP CC[C@@H]1C[C@H](NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)C[C@H](CC)[NH2+]1 ZINC001246154704 947995711 /nfs/dbraw/zinc/99/57/11/947995711.db2.gz BVPJUSNSVSCXOS-SJRVDFGRSA-N 2 3 295.471 1.510 20 0 CDADHP C[C@@H]1[C@@H](CN)CCC[N@@H+]1C1CCC2(C[NH2+]C2)CC1 ZINC001246561809 948277906 /nfs/dbraw/zinc/27/79/06/948277906.db2.gz GLQCDJWUFHLPLE-CHWSQXEVSA-N 2 3 251.418 1.578 20 0 CDADHP C[C@@H]1[C@@H](CN)CCC[N@H+]1C1CCC2(C[NH2+]C2)CC1 ZINC001246561809 948277918 /nfs/dbraw/zinc/27/79/18/948277918.db2.gz GLQCDJWUFHLPLE-CHWSQXEVSA-N 2 3 251.418 1.578 20 0 CDADHP C[C@@H]1[C@H](CN)CCC[N@@H+]1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246566665 948287260 /nfs/dbraw/zinc/28/72/60/948287260.db2.gz TYKXOPMMXKBFQF-UGUYLWEFSA-N 2 3 265.445 1.968 20 0 CDADHP C[C@@H]1[C@H](CN)CCC[N@H+]1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246566665 948287268 /nfs/dbraw/zinc/28/72/68/948287268.db2.gz TYKXOPMMXKBFQF-UGUYLWEFSA-N 2 3 265.445 1.968 20 0 CDADHP C[C@@H]1C[C@H](N2CCC[C@@]23CCC[NH2+]CC3)CC[NH2+]1 ZINC001246603668 948338001 /nfs/dbraw/zinc/33/80/01/948338001.db2.gz FOBQBMOWASDKDH-RBSFLKMASA-N 2 3 251.418 1.735 20 0 CDADHP CC[C@@H]1CC(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246632610 948370292 /nfs/dbraw/zinc/37/02/92/948370292.db2.gz YLWRQPKOBFZIDQ-KCYZZUKISA-N 2 3 295.471 1.606 20 0 CDADHP C1CN(C2CCC3(CC[NH2+]CC3)CC2)[C@@H]2C[NH2+]C[C@H]12 ZINC001246646458 948384681 /nfs/dbraw/zinc/38/46/81/948384681.db2.gz NCNDBWCEMKTYNH-DZGCQCFKSA-N 2 3 263.429 1.593 20 0 CDADHP [NH3+]Cc1ccc(CN2C[C@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC001550705382 966161266 /nfs/dbraw/zinc/16/12/66/966161266.db2.gz WJAIYGODAZSHMZ-CVEARBPZSA-N 2 3 259.397 1.706 20 0 CDADHP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000849028024 969415010 /nfs/dbraw/zinc/41/50/10/969415010.db2.gz XWVOTMCLPVMYNV-CABCVRRESA-N 2 3 295.475 1.459 20 0 CDADHP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000849028024 969415014 /nfs/dbraw/zinc/41/50/14/969415014.db2.gz XWVOTMCLPVMYNV-CABCVRRESA-N 2 3 295.475 1.459 20 0 CDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCCCC[N@H+](C)C1CC1 ZINC000849039912 969424751 /nfs/dbraw/zinc/42/47/51/969424751.db2.gz YJEWXGMPKJWLKI-OAHLLOKOSA-N 2 3 295.475 1.459 20 0 CDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCCCC[N@@H+](C)C1CC1 ZINC000849039912 969424753 /nfs/dbraw/zinc/42/47/53/969424753.db2.gz YJEWXGMPKJWLKI-OAHLLOKOSA-N 2 3 295.475 1.459 20 0 CDADHP C[C@]1(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC[NH2+]C1 ZINC000414771922 241378511 /nfs/dbraw/zinc/37/85/11/241378511.db2.gz ASHDAQRDEWNOFW-KFWWJZLASA-N 2 3 251.418 1.308 20 0 CDADHP NC[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000420322180 244080946 /nfs/dbraw/zinc/08/09/46/244080946.db2.gz WGRXVOYOUGHYPK-UAGQMJEPSA-N 2 3 273.424 1.660 20 0 CDADHP NC[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000420322180 244080952 /nfs/dbraw/zinc/08/09/52/244080952.db2.gz WGRXVOYOUGHYPK-UAGQMJEPSA-N 2 3 273.424 1.660 20 0 CDADHP [NH3+]C[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000420322180 244080956 /nfs/dbraw/zinc/08/09/56/244080956.db2.gz WGRXVOYOUGHYPK-UAGQMJEPSA-N 2 3 273.424 1.660 20 0 CDADHP C[C@@H](NCC1CC[NH+](C2CC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000423083014 287020332 /nfs/dbraw/zinc/02/03/32/287020332.db2.gz GAXSPMZTPUBAOZ-CZUORRHYSA-N 2 3 265.445 1.981 20 0 CDADHP C[C@H](N)C[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665298916 414039024 /nfs/dbraw/zinc/03/90/24/414039024.db2.gz CFAWDGYZFBMIJR-STQMWFEESA-N 2 3 253.434 1.824 20 0 CDADHP [NH3+][C@H]1CCC[C@@H](CNCc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000577173232 317278154 /nfs/dbraw/zinc/27/81/54/317278154.db2.gz DFUMXQWSXDXNCP-OCCSQVGLSA-N 2 3 292.427 1.749 20 0 CDADHP CN(C)[C@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903907938 626141566 /nfs/dbraw/zinc/14/15/66/626141566.db2.gz BBZAOOZLNDAEJD-UYTSQGDYSA-N 2 3 265.445 1.933 20 0 CDADHP CN(C)[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903907938 626141568 /nfs/dbraw/zinc/14/15/68/626141568.db2.gz BBZAOOZLNDAEJD-UYTSQGDYSA-N 2 3 265.445 1.933 20 0 CDADHP CSC1(CN[C@H]2CCC[NH2+][C@H]2C)CC[NH+](C)CC1 ZINC000925669362 817991064 /nfs/dbraw/zinc/99/10/64/817991064.db2.gz SSPGEDDZQMCDOD-STQMWFEESA-N 2 3 271.474 1.544 20 0 CDADHP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCN(CCCC[NH3+])CC1)C2 ZINC001172108750 911274458 /nfs/dbraw/zinc/27/44/58/911274458.db2.gz DQINGEAYAXSLSJ-BJWYYQGGSA-N 2 3 294.487 1.358 20 0 CDADHP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCN(CCCC[NH3+])CC1)C2 ZINC001172108750 911274473 /nfs/dbraw/zinc/27/44/73/911274473.db2.gz DQINGEAYAXSLSJ-BJWYYQGGSA-N 2 3 294.487 1.358 20 0 CDADHP C[C@@H]1CC[N@H+](CC2CC3(C2)CC[NH2+]CC3)C[C@H]1CN ZINC001205296614 919134363 /nfs/dbraw/zinc/13/43/63/919134363.db2.gz RQQCPQFMVYBNQQ-UKRRQHHQSA-N 2 3 265.445 1.683 20 0 CDADHP C[C@@H]1CC[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C[C@H]1CN ZINC001205296614 919134371 /nfs/dbraw/zinc/13/43/71/919134371.db2.gz RQQCPQFMVYBNQQ-UKRRQHHQSA-N 2 3 265.445 1.683 20 0 CDADHP C[N@@H+]1CC[C@H](c2ccc(N[C@@H](N)CCC[NH3+])cc2)C1 ZINC001170905757 930726250 /nfs/dbraw/zinc/72/62/50/930726250.db2.gz VYGFTIFBBGDKCC-DZGCQCFKSA-N 2 3 262.401 1.541 20 0 CDADHP C[N@H+]1CC[C@H](c2ccc(N[C@@H](N)CCC[NH3+])cc2)C1 ZINC001170905757 930726256 /nfs/dbraw/zinc/72/62/56/930726256.db2.gz VYGFTIFBBGDKCC-DZGCQCFKSA-N 2 3 262.401 1.541 20 0 CDADHP C[C@H]1C[N@@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@H]1CN ZINC001246542504 931661298 /nfs/dbraw/zinc/66/12/98/931661298.db2.gz PQZHUVIMIXSIAM-ZUJMUWTESA-N 2 3 251.418 1.435 20 0 CDADHP C[C@H]1C[N@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@H]1CN ZINC001246542504 931661300 /nfs/dbraw/zinc/66/13/00/931661300.db2.gz PQZHUVIMIXSIAM-ZUJMUWTESA-N 2 3 251.418 1.435 20 0 CDADHP [NH3+]C[C@@]1(O)CCCCN(Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001205674020 939915839 /nfs/dbraw/zinc/91/58/39/939915839.db2.gz XQPPESBVPQBUQN-KRWDZBQOSA-N 2 3 289.423 1.008 20 0 CDADHP C[N@H+](CC1CC2(C1)CC[NH2+]CC2)C[C@@H]1CCCNC1 ZINC001235950447 944329097 /nfs/dbraw/zinc/32/90/97/944329097.db2.gz GNWFUGFUMKRAMA-CQSZACIVSA-N 2 3 265.445 1.698 20 0 CDADHP C[N@@H+](CC1CC2(C1)CC[NH2+]CC2)C[C@@H]1CCCNC1 ZINC001235950447 944329102 /nfs/dbraw/zinc/32/91/02/944329102.db2.gz GNWFUGFUMKRAMA-CQSZACIVSA-N 2 3 265.445 1.698 20 0 CDADHP C[C@@H]1C[NH2+]C[C@H](C[NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001246101372 947952230 /nfs/dbraw/zinc/95/22/30/947952230.db2.gz PPJMDRZQWXEEMA-NJINODPHSA-N 2 3 295.471 1.465 20 0 CDADHP C([NH2+]C1CCNCC1)C1CC[NH+](CC2CCOCC2)CC1 ZINC001246294399 948086278 /nfs/dbraw/zinc/08/62/78/948086278.db2.gz RTGZQXKRTACVMI-UHFFFAOYSA-N 2 3 295.471 1.467 20 0 CDADHP C[C@H]1C[NH2+]C[C@@H](N[C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246490636 948205128 /nfs/dbraw/zinc/20/51/28/948205128.db2.gz FJZLLBDDCXLNQP-MCIONIFRSA-N 2 3 251.418 1.496 20 0 CDADHP CC(C)(C)[C@@H]1C[C@H](N2CCC[C@](O)(C[NH3+])CC2)CC[NH2+]1 ZINC001246543321 948245810 /nfs/dbraw/zinc/24/58/10/948245810.db2.gz MUJAUHJHRIRCJX-IJEWVQPXSA-N 2 3 283.460 1.329 20 0 CDADHP [NH3+]C[C@]1(F)CCC[N@@H+]([C@H]2CCNC3(CCC3)C2)CC1 ZINC001246545193 948249874 /nfs/dbraw/zinc/24/98/74/948249874.db2.gz AMJRSTJYZUMDQI-KBPBESRZSA-N 2 3 269.408 1.814 20 0 CDADHP [NH3+]C[C@]1(F)CCC[N@H+]([C@H]2CCNC3(CCC3)C2)CC1 ZINC001246545193 948249883 /nfs/dbraw/zinc/24/98/83/948249883.db2.gz AMJRSTJYZUMDQI-KBPBESRZSA-N 2 3 269.408 1.814 20 0 CDADHP c1ccc(C[C@@H]2C[C@@H]([N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CCN2)cc1 ZINC001246622533 948357671 /nfs/dbraw/zinc/35/76/71/948357671.db2.gz HRZLVDFPOJGFDZ-XDNAFOTISA-N 2 3 285.435 1.501 20 0 CDADHP c1ccc(C[C@@H]2C[C@@H]([N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CCN2)cc1 ZINC001246622533 948357677 /nfs/dbraw/zinc/35/76/77/948357677.db2.gz HRZLVDFPOJGFDZ-XDNAFOTISA-N 2 3 285.435 1.501 20 0 CDADHP C1C[C@H]2CN(C3CCC4(CCC[NH2+]C4)CC3)C[C@H]2[NH2+]1 ZINC001246650145 948385528 /nfs/dbraw/zinc/38/55/28/948385528.db2.gz HGPMNYDRFSRDDA-JWMHWRSXSA-N 2 3 263.429 1.593 20 0 CDADHP C[C@@H]1CC([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C[C@@H](C)N1 ZINC001246929216 948525592 /nfs/dbraw/zinc/52/55/92/948525592.db2.gz DEOLWJIHFWCRAZ-SYQHCUMBSA-N 2 3 251.418 1.447 20 0 CDADHP C[C@@H]1CC([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C[C@@H](C)N1 ZINC001246929216 948525597 /nfs/dbraw/zinc/52/55/97/948525597.db2.gz DEOLWJIHFWCRAZ-SYQHCUMBSA-N 2 3 251.418 1.447 20 0 CDADHP CC1(C)[C@@H]2NCCC[C@H]2[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC001553027664 964493409 /nfs/dbraw/zinc/49/34/09/964493409.db2.gz ZGYXEQSGIVPAPT-CLACGNGHSA-N 2 3 265.445 1.870 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H]1CN1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001550935063 966292491 /nfs/dbraw/zinc/29/24/91/966292491.db2.gz PJRXSHSKMMFBKX-HLLBOEOZSA-N 2 3 279.472 1.944 20 0 CDADHP CCN1CCC[C@H]1CNC(=[NH2+])NCC[C@@H]1CCC[N@H+](C)C1 ZINC000849041041 969427940 /nfs/dbraw/zinc/42/79/40/969427940.db2.gz INZAPTJLBUFZPE-GJZGRUSLSA-N 2 3 295.475 1.317 20 0 CDADHP CCN1CCC[C@H]1CNC(=[NH2+])NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000849041041 969427941 /nfs/dbraw/zinc/42/79/41/969427941.db2.gz INZAPTJLBUFZPE-GJZGRUSLSA-N 2 3 295.475 1.317 20 0 CDADHP CC1CC[NH+](CCCCNC[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000644522490 366130515 /nfs/dbraw/zinc/13/05/15/366130515.db2.gz GUILEEOZYJBGPA-KRWDZBQOSA-N 2 3 297.487 1.543 20 0 CDADHP CC1CC[NH+](CCCCNC[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000644522490 366130522 /nfs/dbraw/zinc/13/05/22/366130522.db2.gz GUILEEOZYJBGPA-KRWDZBQOSA-N 2 3 297.487 1.543 20 0 CDADHP C[C@H]1CCNCC[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000335565714 360467037 /nfs/dbraw/zinc/46/70/37/360467037.db2.gz REZRBEWLMGXZGP-KBPBESRZSA-N 2 3 253.434 1.696 20 0 CDADHP C(CN1CCCCC1)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420328177 244091619 /nfs/dbraw/zinc/09/16/19/244091619.db2.gz DXWNLWKFXYQKJP-IYBDPMFKSA-N 2 3 265.445 1.794 20 0 CDADHP C(CN1CCCCC1)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420328177 244091626 /nfs/dbraw/zinc/09/16/26/244091626.db2.gz DXWNLWKFXYQKJP-IYBDPMFKSA-N 2 3 265.445 1.794 20 0 CDADHP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2N)cc1 ZINC000422717722 245174562 /nfs/dbraw/zinc/17/45/62/245174562.db2.gz PANWWDZILQFBBF-IAGOWNOFSA-N 2 3 291.439 1.987 20 0 CDADHP C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422719799 245176948 /nfs/dbraw/zinc/17/69/48/245176948.db2.gz RMZYQKPXVKDTMQ-GVDBMIGSSA-N 2 3 297.487 1.985 20 0 CDADHP C[C@H](C[C@H](C)[NH3+])NCc1cccc(OCC[NH+](C)C)c1 ZINC000422896870 245380737 /nfs/dbraw/zinc/38/07/37/245380737.db2.gz IUTNJFRNWJJVGM-UONOGXRCSA-N 2 3 279.428 1.842 20 0 CDADHP C(C[N@@H+]1CC[C@@H](CN2CCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000420315638 533364049 /nfs/dbraw/zinc/36/40/49/533364049.db2.gz LAMRZHNAJHJXIC-CVEARBPZSA-N 2 3 265.445 1.794 20 0 CDADHP C(C[N@H+]1CC[C@@H](CN2CCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000420315638 533364056 /nfs/dbraw/zinc/36/40/56/533364056.db2.gz LAMRZHNAJHJXIC-CVEARBPZSA-N 2 3 265.445 1.794 20 0 CDADHP C(CN1CC[C@@H](C[NH+]2CCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000420315638 533364057 /nfs/dbraw/zinc/36/40/57/533364057.db2.gz LAMRZHNAJHJXIC-CVEARBPZSA-N 2 3 265.445 1.794 20 0 CDADHP C(C1CC[NH2+]CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000178981625 391363044 /nfs/dbraw/zinc/36/30/44/391363044.db2.gz SFKGRHXHWQDXOX-INIZCTEOSA-N 2 3 265.445 1.936 20 0 CDADHP CC[NH+](CC)CCOCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423040415 392292874 /nfs/dbraw/zinc/29/28/74/392292874.db2.gz UFVMWWXYSICNFX-GVDBMIGSSA-N 2 3 297.487 1.855 20 0 CDADHP C[C@H]1CCNCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423440459 392576654 /nfs/dbraw/zinc/57/66/54/392576654.db2.gz SZTMCFXLAKFTDB-SPWCGHHHSA-N 2 3 251.418 1.352 20 0 CDADHP C([C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1)N1CCCCC1 ZINC000178982016 140011037 /nfs/dbraw/zinc/01/10/37/140011037.db2.gz ZINXAZQTFQVXNI-MRXNPFEDSA-N 2 3 265.445 1.794 20 0 CDADHP C([C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1)N1CCCCC1 ZINC000178982016 140011038 /nfs/dbraw/zinc/01/10/38/140011038.db2.gz ZINXAZQTFQVXNI-MRXNPFEDSA-N 2 3 265.445 1.794 20 0 CDADHP C([NH2+][C@H]1CCCNCC1)C1CC[NH+](CC2CC2)CC1 ZINC000665299201 414044551 /nfs/dbraw/zinc/04/45/51/414044551.db2.gz IKQQHBROKKCAOK-INIZCTEOSA-N 2 3 265.445 1.840 20 0 CDADHP [NH3+]CC1CC[NH+](Cc2cccc3c2CCNC3)CC1 ZINC000662234216 414578230 /nfs/dbraw/zinc/57/82/30/414578230.db2.gz JZVUFPUZYSNOBR-UHFFFAOYSA-N 2 3 259.397 1.503 20 0 CDADHP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)CN1CCCC1 ZINC000400908254 424415529 /nfs/dbraw/zinc/41/55/29/424415529.db2.gz AAKLJMYUMJLIKC-FXUDXRNXSA-N 2 3 265.445 1.696 20 0 CDADHP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@H]1CCCNC1 ZINC000567638200 293826547 /nfs/dbraw/zinc/82/65/47/293826547.db2.gz ZMULXONRHOIOTC-DNDYEEKYSA-N 2 3 253.434 1.837 20 0 CDADHP C[NH+](C)Cc1cccc(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000422810082 536035374 /nfs/dbraw/zinc/03/53/74/536035374.db2.gz RDFWPUDWZJDQPU-JKSUJKDBSA-N 2 3 261.413 1.965 20 0 CDADHP CC1(C)CCNCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903778581 626091042 /nfs/dbraw/zinc/09/10/42/626091042.db2.gz OJLKDQVCNIERNP-CQSZACIVSA-N 2 3 281.444 1.219 20 0 CDADHP CC1(C)CCNCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903778581 626091043 /nfs/dbraw/zinc/09/10/43/626091043.db2.gz OJLKDQVCNIERNP-CQSZACIVSA-N 2 3 281.444 1.219 20 0 CDADHP CN(C)CC[NH+]1CCC(N[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925605200 818363034 /nfs/dbraw/zinc/36/30/34/818363034.db2.gz DRENJWBAKWOWMT-MRXNPFEDSA-N 2 3 294.487 1.277 20 0 CDADHP C[C@@H]1C[C@H](NCc2ccc(CC[NH3+])cc2)CC[N@@H+]1C ZINC000817949216 818884126 /nfs/dbraw/zinc/88/41/26/818884126.db2.gz OFGUFHRHDKXDHA-CZUORRHYSA-N 2 3 261.413 1.760 20 0 CDADHP C[C@@H]1C[C@H](NCc2ccc(CC[NH3+])cc2)CC[N@H+]1C ZINC000817949216 818884132 /nfs/dbraw/zinc/88/41/32/818884132.db2.gz OFGUFHRHDKXDHA-CZUORRHYSA-N 2 3 261.413 1.760 20 0 CDADHP CN1CCCC[C@@H](C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000700827150 820498766 /nfs/dbraw/zinc/49/87/66/820498766.db2.gz RVWDKAHGMPHPLX-HNNXBMFYSA-N 2 3 253.434 1.650 20 0 CDADHP CN1CCCC[C@H](C[NH2+]C2CC3(C2)CC[NH2+]CC3)C1 ZINC001578527968 1167685541 /nfs/dbraw/zinc/68/55/41/1167685541.db2.gz ABHUSMODVISDBV-CQSZACIVSA-N 2 3 265.445 1.840 20 0 CDADHP C[C@H]1CC[C@@H](CNC2CCC3(C[NH2+]C3)CC2)[NH2+]C1 ZINC001246102392 931013018 /nfs/dbraw/zinc/01/30/18/931013018.db2.gz DOWQSUOPGQWEEY-JSGCOSHPSA-N 2 3 251.418 1.496 20 0 CDADHP C[C@H]1[NH2+]CCC[C@@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC001246109782 931048834 /nfs/dbraw/zinc/04/88/34/931048834.db2.gz KVNQWMIYWGYDSM-YZDRTPDPSA-N 2 3 265.445 1.979 20 0 CDADHP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CCN1 ZINC001246144399 931100631 /nfs/dbraw/zinc/10/06/31/931100631.db2.gz LTWLKUVHUGLZCB-LEOABGAYSA-N 2 3 265.445 1.742 20 0 CDADHP C1[NH2+]C[C@H]2C[C@@H]([N@@H+]3CCC[C@@]4(CCCNC4)C3)C[C@@H]12 ZINC001246610605 932092725 /nfs/dbraw/zinc/09/27/25/932092725.db2.gz PVJMVYCLXCVSCE-QKPAOTATSA-N 2 3 263.429 1.450 20 0 CDADHP C1[NH2+]C[C@H]2C[C@@H]([N@H+]3CCC[C@@]4(CCCNC4)C3)C[C@@H]12 ZINC001246610605 932092731 /nfs/dbraw/zinc/09/27/31/932092731.db2.gz PVJMVYCLXCVSCE-QKPAOTATSA-N 2 3 263.429 1.450 20 0 CDADHP C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219345594 941333088 /nfs/dbraw/zinc/33/30/88/941333088.db2.gz VIIKXSKWHHOEHK-AWEZNQCLSA-N 2 3 278.400 1.143 20 0 CDADHP c1ccc2c(c1)C[NH2+]CC21CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC001235092528 944052500 /nfs/dbraw/zinc/05/25/00/944052500.db2.gz JEGHXRFXXJPAEV-HNNXBMFYSA-N 2 3 285.435 1.733 20 0 CDADHP C(C[N@@H+]1CCCC[C@]12CCCNC2)[C@H]1CCC[NH2+]C1 ZINC001235171580 944077157 /nfs/dbraw/zinc/07/71/57/944077157.db2.gz KARKACSFUMMUGT-HZPDHXFCSA-N 2 3 265.445 1.984 20 0 CDADHP C(C[N@H+]1CCCC[C@]12CCCNC2)[C@H]1CCC[NH2+]C1 ZINC001235171580 944077163 /nfs/dbraw/zinc/07/71/63/944077163.db2.gz KARKACSFUMMUGT-HZPDHXFCSA-N 2 3 265.445 1.984 20 0 CDADHP [NH3+]CCCCN1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235349218 944133045 /nfs/dbraw/zinc/13/30/45/944133045.db2.gz OGWSZMMLDYLDFZ-IAGOWNOFSA-N 2 3 273.424 1.804 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2C[NH2+]Cc3cccn3C2)CCN1 ZINC001246143150 947986692 /nfs/dbraw/zinc/98/66/92/947986692.db2.gz UAYSCPSXIBQURS-KFWWJZLASA-N 2 3 276.428 1.328 20 0 CDADHP CC(C)[NH+]1CCC(C[NH2+][C@@H]2CCN[C@@H](C)C2)CC1 ZINC001246188453 948020878 /nfs/dbraw/zinc/02/08/78/948020878.db2.gz JFRAERZDRWNJKI-DZGCQCFKSA-N 2 3 253.434 1.837 20 0 CDADHP C[C@@H]1CC[C@@H](N[C@H]2CCOC3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246256056 948058991 /nfs/dbraw/zinc/05/89/91/948058991.db2.gz NFJOLGPHSPNQMJ-HZSPNIEDSA-N 2 3 267.417 1.018 20 0 CDADHP CC(C)(C)[C@@H]1C[C@H](N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC001246257443 948060951 /nfs/dbraw/zinc/06/09/51/948060951.db2.gz SYORKZINALPHTH-AIANPOQGSA-N 2 3 295.471 1.654 20 0 CDADHP CC(C)(C)N1CCC([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246478981 948197143 /nfs/dbraw/zinc/19/71/43/948197143.db2.gz ZXJHHUVVSUVXLB-JSGCOSHPSA-N 2 3 271.424 1.787 20 0 CDADHP C[NH2+]C1CCC([N@@H+]2CC[C@@]3(C2)CCCNC3)CC1 ZINC001246600150 948335519 /nfs/dbraw/zinc/33/55/19/948335519.db2.gz DFIVXWAPVAYSBB-NRXISQOPSA-N 2 3 251.418 1.593 20 0 CDADHP C[NH2+]C1CCC([N@H+]2CC[C@@]3(C2)CCCNC3)CC1 ZINC001246600150 948335531 /nfs/dbraw/zinc/33/55/31/948335531.db2.gz DFIVXWAPVAYSBB-NRXISQOPSA-N 2 3 251.418 1.593 20 0 CDADHP C[NH+](C)[C@H]1CC[C@@H]([NH2+]C[C@H](O)CNC(C)(C)C)CC1 ZINC001253411456 951895985 /nfs/dbraw/zinc/89/59/85/951895985.db2.gz NHGWTOGVSVJQCI-MJBXVCDLSA-N 2 3 271.449 1.198 20 0 CDADHP C(CC1CC[NH2+]CC1)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000650763415 398184523 /nfs/dbraw/zinc/18/45/23/398184523.db2.gz ZQDFTRJVJXCDEU-HUUCEWRRSA-N 2 3 251.418 1.593 20 0 CDADHP C(CC1CC[NH2+]CC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000650763415 398184525 /nfs/dbraw/zinc/18/45/25/398184525.db2.gz ZQDFTRJVJXCDEU-HUUCEWRRSA-N 2 3 251.418 1.593 20 0 CDADHP C(CC1CC[NH2+]CC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000650763415 398184526 /nfs/dbraw/zinc/18/45/26/398184526.db2.gz ZQDFTRJVJXCDEU-HUUCEWRRSA-N 2 3 251.418 1.593 20 0 CDADHP [NH3+]C[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)CC[C@H]1C(F)(F)F ZINC000629559250 363002880 /nfs/dbraw/zinc/00/28/80/363002880.db2.gz ANMJMIAZVHASLE-QJPTWQEYSA-N 2 3 279.350 1.445 20 0 CDADHP C[C@H]1CC2(C[N@@H+]1C[C@H]1CCCNC1)CC[NH2+]CC2 ZINC000335275871 359293834 /nfs/dbraw/zinc/29/38/34/359293834.db2.gz AVBNOAQNFBWTCV-KBPBESRZSA-N 2 3 251.418 1.450 20 0 CDADHP C[C@H]1CC2(C[N@H+]1C[C@H]1CCCNC1)CC[NH2+]CC2 ZINC000335275871 359293841 /nfs/dbraw/zinc/29/38/41/359293841.db2.gz AVBNOAQNFBWTCV-KBPBESRZSA-N 2 3 251.418 1.450 20 0 CDADHP C[C@@H](C[C@H]1CCC[NH2+]1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415014337 296002023 /nfs/dbraw/zinc/00/20/23/296002023.db2.gz WSYPPNRHQFYHTB-PMOUVXMZSA-N 2 3 251.418 1.495 20 0 CDADHP C[C@H]1CC[NH2+]CC[C@@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635012201 360657318 /nfs/dbraw/zinc/65/73/18/360657318.db2.gz RWICJHOKJMDMGS-ZFWWWQNUSA-N 2 3 289.427 1.291 20 0 CDADHP C[C@H]1C[C@H](CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000414656956 241305125 /nfs/dbraw/zinc/30/51/25/241305125.db2.gz NXIGKYMSSVXDCI-DRWKLNATSA-N 2 3 251.418 1.589 20 0 CDADHP CC(C)N1CCN(CCC[NH+]2CCC(CC[NH3+])CC2)CC1 ZINC000516872718 367201112 /nfs/dbraw/zinc/20/11/12/367201112.db2.gz MDJZTXAMKPHYSV-UHFFFAOYSA-N 2 3 296.503 1.463 20 0 CDADHP CCN(CC)CCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420304391 376325245 /nfs/dbraw/zinc/32/52/45/376325245.db2.gz ITXQEBNISVDFRV-UHFFFAOYSA-N 2 3 253.434 1.794 20 0 CDADHP CCN(CC)CCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420304391 376325251 /nfs/dbraw/zinc/32/52/51/376325251.db2.gz ITXQEBNISVDFRV-UHFFFAOYSA-N 2 3 253.434 1.794 20 0 CDADHP CC[NH+](CC)CCCN1CCC2(C1)CC[NH2+]CC2 ZINC000420304391 376325254 /nfs/dbraw/zinc/32/52/54/376325254.db2.gz ITXQEBNISVDFRV-UHFFFAOYSA-N 2 3 253.434 1.794 20 0 CDADHP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423041254 392295619 /nfs/dbraw/zinc/29/56/19/392295619.db2.gz WRDCZHFNPARGFQ-LSDHHAIUSA-N 2 3 271.449 1.452 20 0 CDADHP C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000423167188 392405607 /nfs/dbraw/zinc/40/56/07/392405607.db2.gz DSFNHZVDVINVBQ-RBSFLKMASA-N 2 3 253.434 1.696 20 0 CDADHP C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000423167188 392405610 /nfs/dbraw/zinc/40/56/10/392405610.db2.gz DSFNHZVDVINVBQ-RBSFLKMASA-N 2 3 253.434 1.696 20 0 CDADHP CCOCCC[N@@H+]1CC[C@@H](NCC2=CC[NH2+]CC2)[C@H](C)C1 ZINC000423334830 392522672 /nfs/dbraw/zinc/52/26/72/392522672.db2.gz GAIORVDLPVYPQT-NVXWUHKLSA-N 2 3 295.471 1.633 20 0 CDADHP CCOCCC[N@H+]1CC[C@@H](NCC2=CC[NH2+]CC2)[C@H](C)C1 ZINC000423334830 392522673 /nfs/dbraw/zinc/52/26/73/392522673.db2.gz GAIORVDLPVYPQT-NVXWUHKLSA-N 2 3 295.471 1.633 20 0 CDADHP C(CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000420376367 397701565 /nfs/dbraw/zinc/70/15/65/397701565.db2.gz QQRGHINPKDJKOJ-BFYDXBDKSA-N 2 3 277.456 1.935 20 0 CDADHP C(CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000420376367 397701567 /nfs/dbraw/zinc/70/15/67/397701567.db2.gz QQRGHINPKDJKOJ-BFYDXBDKSA-N 2 3 277.456 1.935 20 0 CDADHP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CNCC3)C1 ZINC000656787087 413666471 /nfs/dbraw/zinc/66/64/71/413666471.db2.gz SVPXBWRJGRLEET-WBMJQRKESA-N 2 3 259.397 1.549 20 0 CDADHP CN(C)CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000666962178 483023034 /nfs/dbraw/zinc/02/30/34/483023034.db2.gz GXHZTJDVAAYGMK-JKSUJKDBSA-N 2 3 291.439 1.844 20 0 CDADHP C[N@H+](CC1CC1)C[C@@H]1CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000420306836 536180690 /nfs/dbraw/zinc/18/06/90/536180690.db2.gz AWUBSMCPCIHJIT-HOCLYGCPSA-N 2 3 265.445 1.650 20 0 CDADHP C[N@@H+](CC1CC1)C[C@@H]1CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000420306836 536180694 /nfs/dbraw/zinc/18/06/94/536180694.db2.gz AWUBSMCPCIHJIT-HOCLYGCPSA-N 2 3 265.445 1.650 20 0 CDADHP CN(CC1CC1)C[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420306836 536180698 /nfs/dbraw/zinc/18/06/98/536180698.db2.gz AWUBSMCPCIHJIT-HOCLYGCPSA-N 2 3 265.445 1.650 20 0 CDADHP CN(CC1CC1)C[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420306836 536180701 /nfs/dbraw/zinc/18/07/01/536180701.db2.gz AWUBSMCPCIHJIT-HOCLYGCPSA-N 2 3 265.445 1.650 20 0 CDADHP CC[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1N ZINC000903874218 626128372 /nfs/dbraw/zinc/12/83/72/626128372.db2.gz VJMFBCSCQKLQCG-HKJOBYGYSA-N 2 3 251.418 1.576 20 0 CDADHP CC[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1N ZINC000903874218 626128375 /nfs/dbraw/zinc/12/83/75/626128375.db2.gz VJMFBCSCQKLQCG-HKJOBYGYSA-N 2 3 251.418 1.576 20 0 CDADHP CC[C@@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1[NH3+] ZINC000903874218 626128378 /nfs/dbraw/zinc/12/83/78/626128378.db2.gz VJMFBCSCQKLQCG-HKJOBYGYSA-N 2 3 251.418 1.576 20 0 CDADHP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925879279 824269798 /nfs/dbraw/zinc/26/97/98/824269798.db2.gz AFMHOFVINYXPAY-DRPJVOAASA-N 2 3 265.445 1.872 20 0 CDADHP C[NH+]1CCC(CC[NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000229936944 826940150 /nfs/dbraw/zinc/94/01/50/826940150.db2.gz LYUWYGCITUIFHP-GJZGRUSLSA-N 2 3 253.434 1.825 20 0 CDADHP C1CC2(C[C@@H]1N[C@@H]1CCCC[NH2+]C1)CC[NH2+]CC2 ZINC001246094157 930977706 /nfs/dbraw/zinc/97/77/06/930977706.db2.gz ZOKZJFHYLWOMEP-ZIAGYGMSSA-N 2 3 251.418 1.640 20 0 CDADHP C1[NH2+]CC12C[C@H](N[C@H]1CC[NH2+]C3(CCCCC3)C1)CS2 ZINC001246514773 931565081 /nfs/dbraw/zinc/56/50/81/931565081.db2.gz REIWSRXWQDHABN-KBPBESRZSA-N 2 3 295.496 1.878 20 0 CDADHP C[C@@H]1CC([N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)C[C@@H](C)N1 ZINC001246564588 931797468 /nfs/dbraw/zinc/79/74/68/931797468.db2.gz XWQOLUOUYWMMPY-REWJHTLYSA-N 2 3 253.434 1.822 20 0 CDADHP C[C@@H]1CC([N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)C[C@@H](C)N1 ZINC001246564588 931797474 /nfs/dbraw/zinc/79/74/74/931797474.db2.gz XWQOLUOUYWMMPY-REWJHTLYSA-N 2 3 253.434 1.822 20 0 CDADHP C[NH+](C)CCc1ccc(NC(=O)[C@@H](N)CCCC[NH3+])cc1 ZINC001219022848 941301385 /nfs/dbraw/zinc/30/13/85/941301385.db2.gz WTRCCQIQAJQFGT-HNNXBMFYSA-N 2 3 292.427 1.186 20 0 CDADHP C(C[N@@H+]1CCC[C@]12CCCNC2)[C@@H]1CCC[NH2+]C1 ZINC001222231093 941576779 /nfs/dbraw/zinc/57/67/79/941576779.db2.gz IZOWGIRHUWSWJS-GJZGRUSLSA-N 2 3 251.418 1.594 20 0 CDADHP C(C[N@H+]1CCC[C@]12CCCNC2)[C@@H]1CCC[NH2+]C1 ZINC001222231093 941576780 /nfs/dbraw/zinc/57/67/80/941576780.db2.gz IZOWGIRHUWSWJS-GJZGRUSLSA-N 2 3 251.418 1.594 20 0 CDADHP F[C@H]1CCNC[C@@]12CC[N@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235401113 944144868 /nfs/dbraw/zinc/14/48/68/944144868.db2.gz FURABQOAOPWXEX-DOTOQJQBSA-N 2 3 295.446 1.790 20 0 CDADHP F[C@H]1CCNC[C@@]12CC[N@@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235401113 944144874 /nfs/dbraw/zinc/14/48/74/944144874.db2.gz FURABQOAOPWXEX-DOTOQJQBSA-N 2 3 295.446 1.790 20 0 CDADHP C(CN1CCC([C@H]2CCC[NH2+]2)CC1)[C@@H]1CCCC[NH2+]1 ZINC001235883207 944308847 /nfs/dbraw/zinc/30/88/47/944308847.db2.gz AASNYLNNWLQYLI-JKSUJKDBSA-N 2 3 265.445 1.983 20 0 CDADHP C[C@H]1C[C@@H](NCC2(c3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246425869 948167367 /nfs/dbraw/zinc/16/73/67/948167367.db2.gz CACSAUSZHOXCFI-GJZGRUSLSA-N 2 3 288.439 1.433 20 0 CDADHP C[C@H]1C[C@@H]([NH2+]CC2(c3ccccn3)CC[NH2+]CC2)CCN1 ZINC001246425869 948167369 /nfs/dbraw/zinc/16/73/69/948167369.db2.gz CACSAUSZHOXCFI-GJZGRUSLSA-N 2 3 288.439 1.433 20 0 CDADHP CC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)CCN1 ZINC001246570168 948292365 /nfs/dbraw/zinc/29/23/65/948292365.db2.gz TYYIAZDJOMEVAX-BYNSBNAKSA-N 2 3 253.434 1.824 20 0 CDADHP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)CCN1 ZINC001246570168 948292370 /nfs/dbraw/zinc/29/23/70/948292370.db2.gz TYYIAZDJOMEVAX-BYNSBNAKSA-N 2 3 253.434 1.824 20 0 CDADHP NC[C@H]1CCCC[N@@H+](C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246588746 948322069 /nfs/dbraw/zinc/32/20/69/948322069.db2.gz CIYAKZGNZYEYSC-QQFBHYJXSA-N 2 3 265.445 1.970 20 0 CDADHP NC[C@H]1CCCC[N@H+](C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246588746 948322079 /nfs/dbraw/zinc/32/20/79/948322079.db2.gz CIYAKZGNZYEYSC-QQFBHYJXSA-N 2 3 265.445 1.970 20 0 CDADHP CC[C@@H]1C[C@H](N2CCNC3(CC[NH2+]CC3)C2)C[C@H](CC)[NH2+]1 ZINC001246595451 948332122 /nfs/dbraw/zinc/33/21/22/948332122.db2.gz NAKFVBKKCOQWNS-ZSHCYNCHSA-N 2 3 294.487 1.323 20 0 CDADHP c1ccc(C[C@@H]2C[C@H]([N@@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)CCN2)cc1 ZINC001246848923 948475453 /nfs/dbraw/zinc/47/54/53/948475453.db2.gz XGARTUCBINFSPF-FCGDIQPGSA-N 2 3 299.462 1.891 20 0 CDADHP c1ccc(C[C@@H]2C[C@H]([N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)CCN2)cc1 ZINC001246848923 948475457 /nfs/dbraw/zinc/47/54/57/948475457.db2.gz XGARTUCBINFSPF-FCGDIQPGSA-N 2 3 299.462 1.891 20 0 CDADHP CC(C)[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCN1 ZINC001246931010 948527306 /nfs/dbraw/zinc/52/73/06/948527306.db2.gz MEDYOVNWQPYUGG-FZKCQIBNSA-N 2 3 265.445 1.694 20 0 CDADHP CC(C)[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCN1 ZINC001246931010 948527310 /nfs/dbraw/zinc/52/73/10/948527310.db2.gz MEDYOVNWQPYUGG-FZKCQIBNSA-N 2 3 265.445 1.694 20 0 CDADHP CN1C[C@@H]2CC[C@H]([NH2+]C3CCC(C[NH3+])CC3)[C@H]2C1 ZINC001578520901 1171937867 /nfs/dbraw/zinc/93/78/67/1171937867.db2.gz IUFTZJNUCBKFGW-HAGFKGRBSA-N 2 3 251.418 1.434 20 0 CDADHP CSC1(C[NH2+][C@@H]2CCC[C@@H]2CN)CC[NH+](C)CC1 ZINC000423118830 359751183 /nfs/dbraw/zinc/75/11/83/359751183.db2.gz AKEUUKFPROGATE-CHWSQXEVSA-N 2 3 271.474 1.531 20 0 CDADHP CC[C@H](NC[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000423417497 359777847 /nfs/dbraw/zinc/77/78/47/359777847.db2.gz FQLQCBIBWHNRHD-AJNGGQMLSA-N 2 3 253.434 1.872 20 0 CDADHP CC[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCCN1 ZINC000423417497 359777851 /nfs/dbraw/zinc/77/78/51/359777851.db2.gz FQLQCBIBWHNRHD-AJNGGQMLSA-N 2 3 253.434 1.872 20 0 CDADHP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCCN1CC[NH2+]CC1 ZINC000414786394 296001769 /nfs/dbraw/zinc/00/17/69/296001769.db2.gz AYQBBVKAMVNJDL-JKSUJKDBSA-N 2 3 282.476 1.182 20 0 CDADHP CC(C)N1CCN(CCC[NH+]2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000564988159 359987760 /nfs/dbraw/zinc/98/77/60/359987760.db2.gz TXNYDTXXWFLZND-MRXNPFEDSA-N 2 3 296.503 1.462 20 0 CDADHP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@H]1CCCNC1 ZINC000414878314 368639127 /nfs/dbraw/zinc/63/91/27/368639127.db2.gz ZFBSXAXVSYVADR-XDYZINJXSA-N 2 3 251.418 1.482 20 0 CDADHP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000423041252 392295173 /nfs/dbraw/zinc/29/51/73/392295173.db2.gz WRDCZHFNPARGFQ-GJZGRUSLSA-N 2 3 271.449 1.452 20 0 CDADHP COCC1(C[NH2+][C@H]2CCCC[C@H]2CN)CC[NH2+]CC1 ZINC000423407266 392557101 /nfs/dbraw/zinc/55/71/01/392557101.db2.gz MFUNGGWNFRLXCV-KBPBESRZSA-N 2 3 269.433 1.110 20 0 CDADHP C[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)[C@H]1CCN ZINC000652355904 424304047 /nfs/dbraw/zinc/30/40/47/424304047.db2.gz LZFWEBMNDHARLP-KFWWJZLASA-N 2 3 253.434 1.825 20 0 CDADHP C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@H]1CCN ZINC000652355904 424304052 /nfs/dbraw/zinc/30/40/52/424304052.db2.gz LZFWEBMNDHARLP-KFWWJZLASA-N 2 3 253.434 1.825 20 0 CDADHP NC[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000423086009 295273501 /nfs/dbraw/zinc/27/35/01/295273501.db2.gz LEZWJOBNLYCYAG-UKRRQHHQSA-N 2 3 251.418 1.578 20 0 CDADHP C[C@H](CCC[NH3+])[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423526577 298398227 /nfs/dbraw/zinc/39/82/27/298398227.db2.gz LQGLIRQVHYLKDE-WFWUXJIDSA-N 2 3 265.445 1.857 20 0 CDADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000925704908 617779113 /nfs/dbraw/zinc/77/91/13/617779113.db2.gz IGRNBUFLBDLVCL-VGVBULKLSA-N 2 3 263.429 1.767 20 0 CDADHP CN1CCC[C@@H](C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902351035 624714338 /nfs/dbraw/zinc/71/43/38/624714338.db2.gz VMBSWVPHSZAMQH-KBPBESRZSA-N 2 3 253.434 1.696 20 0 CDADHP C[C@]1(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCCNC1 ZINC000904354916 626263336 /nfs/dbraw/zinc/26/33/36/626263336.db2.gz LJJHLRHVABEUJF-KKUMJFAQSA-N 2 3 253.434 1.731 20 0 CDADHP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@]2(C)CCCNC2)C1 ZINC001578529340 1171943274 /nfs/dbraw/zinc/94/32/74/1171943274.db2.gz UDKUIYFUKQFLMW-CABCVRRESA-N 2 3 253.434 1.698 20 0 CDADHP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@]2(C)CCCNC2)C1 ZINC001578529340 1171943279 /nfs/dbraw/zinc/94/32/79/1171943279.db2.gz UDKUIYFUKQFLMW-CABCVRRESA-N 2 3 253.434 1.698 20 0 CDADHP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCN[C@H]2C)CC1 ZINC000925544763 833301109 /nfs/dbraw/zinc/30/11/09/833301109.db2.gz CEDCOIDLNZFXCO-HOTGVXAUSA-N 2 3 282.476 1.134 20 0 CDADHP C(c1cc(N2CC[NH2+]CC2)ccn1)=C1CC[NH2+]CC1 ZINC001240878548 926131021 /nfs/dbraw/zinc/13/10/21/926131021.db2.gz RFVDYVAEIBYTGM-UHFFFAOYSA-N 2 3 258.369 1.258 20 0 CDADHP C1CC2(C[NH2+]1)CCC(N[C@@H]1CCCC[NH2+]C1)CC2 ZINC001246093139 947944394 /nfs/dbraw/zinc/94/43/94/947944394.db2.gz VLYFGIREUKAZKK-SHARSMKWSA-N 2 3 251.418 1.640 20 0 CDADHP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CCN1 ZINC001246151191 947991929 /nfs/dbraw/zinc/99/19/29/947991929.db2.gz PTUYQXPPWFWDBE-BARDWOONSA-N 2 3 265.445 1.742 20 0 CDADHP CC[C@@H]1C[C@@H](N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)C[C@H](CC)[NH2+]1 ZINC001246254979 948058748 /nfs/dbraw/zinc/05/87/48/948058748.db2.gz IEGQNJXZNXXTCJ-QEOTZNIISA-N 2 3 295.471 1.796 20 0 CDADHP C[C@@H]1C[C@H]([N@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246441545 948173785 /nfs/dbraw/zinc/17/37/85/948173785.db2.gz ISOYONVHYMJSNT-KCYZZUKISA-N 2 3 295.471 1.878 20 0 CDADHP C[C@@H]1C[C@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246441545 948173789 /nfs/dbraw/zinc/17/37/89/948173789.db2.gz ISOYONVHYMJSNT-KCYZZUKISA-N 2 3 295.471 1.878 20 0 CDADHP [NH3+]C[C@@]1(F)CCC[N@@H+]([C@H]2CCNC3(CCC3)C2)CC1 ZINC001246545197 948250626 /nfs/dbraw/zinc/25/06/26/948250626.db2.gz AMJRSTJYZUMDQI-UONOGXRCSA-N 2 3 269.408 1.814 20 0 CDADHP [NH3+]C[C@@]1(F)CCC[N@H+]([C@H]2CCNC3(CCC3)C2)CC1 ZINC001246545197 948250631 /nfs/dbraw/zinc/25/06/31/948250631.db2.gz AMJRSTJYZUMDQI-UONOGXRCSA-N 2 3 269.408 1.814 20 0 CDADHP C[C@@H]1CN(C2CCC3(CCC[NH2+]C3)CC2)C[C@H]1[NH3+] ZINC001246561789 948278014 /nfs/dbraw/zinc/27/80/14/948278014.db2.gz MBHCNBUBJJUMDS-FEWQNLEASA-N 2 3 251.418 1.578 20 0 CDADHP CC(C)[C@@H]1C[C@@H](N2CCC(CC[NH3+])CC2)CC[NH2+]1 ZINC001246579323 948304739 /nfs/dbraw/zinc/30/47/39/948304739.db2.gz IIHZQBGTWVHJDS-GJZGRUSLSA-N 2 3 253.434 1.824 20 0 CDADHP C1C[C@@]2(CCCNC2)[N@@H+]1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246603735 948337980 /nfs/dbraw/zinc/33/79/80/948337980.db2.gz MCSGKBIMIZHLFI-ARFHVFGLSA-N 2 3 263.429 1.737 20 0 CDADHP C1C[C@@]2(CCCNC2)[N@H+]1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246603735 948337986 /nfs/dbraw/zinc/33/79/86/948337986.db2.gz MCSGKBIMIZHLFI-ARFHVFGLSA-N 2 3 263.429 1.737 20 0 CDADHP C[N@H+](C[C@H]1CCCNC1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246848796 948476094 /nfs/dbraw/zinc/47/60/94/948476094.db2.gz OFMIPJUWXJJBKD-FHERZECASA-N 2 3 265.445 1.840 20 0 CDADHP C[N@@H+](C[C@H]1CCCNC1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246848796 948476097 /nfs/dbraw/zinc/47/60/97/948476097.db2.gz OFMIPJUWXJJBKD-FHERZECASA-N 2 3 265.445 1.840 20 0 CDADHP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC2CC[NH+](C(C)C)CC2)O1 ZINC001257208152 948546652 /nfs/dbraw/zinc/54/66/52/948546652.db2.gz FNQPEBZOVLFAQQ-OAGGEKHMSA-N 2 3 299.459 1.174 20 0 CDADHP C[NH+]1CCC(C[NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000250639205 366081628 /nfs/dbraw/zinc/08/16/28/366081628.db2.gz SRGKNCOCHGGKTD-GJZGRUSLSA-N 2 3 251.418 1.545 20 0 CDADHP CC[NH+](CC)CCOC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000262047727 359130208 /nfs/dbraw/zinc/13/02/08/359130208.db2.gz ZEGZYBQZYKTKTA-MRXNPFEDSA-N 2 3 297.487 1.809 20 0 CDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000422733400 359652659 /nfs/dbraw/zinc/65/26/59/359652659.db2.gz BEMSXBPXODMEQG-HIFRSBDPSA-N 2 3 253.434 1.696 20 0 CDADHP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCN3CCCCC3)C[C@H]21 ZINC000420316142 244071926 /nfs/dbraw/zinc/07/19/26/244071926.db2.gz XWNWDSPTPXWWDA-BZUAXINKSA-N 2 3 265.445 1.922 20 0 CDADHP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCN3CCCCC3)C[C@H]21 ZINC000420316142 244071932 /nfs/dbraw/zinc/07/19/32/244071932.db2.gz XWNWDSPTPXWWDA-BZUAXINKSA-N 2 3 265.445 1.922 20 0 CDADHP CC[NH+]1CCC(CN[C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000386416975 373380024 /nfs/dbraw/zinc/38/00/24/373380024.db2.gz JOOPGAZWXLJSIL-UKRRQHHQSA-N 2 3 253.434 1.839 20 0 CDADHP COCC[N@H+](C)CCCC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647989620 391655567 /nfs/dbraw/zinc/65/55/67/391655567.db2.gz OGYDIXRZRZELQW-KRWDZBQOSA-N 2 3 297.487 1.666 20 0 CDADHP COCC[N@@H+](C)CCCC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647989620 391655572 /nfs/dbraw/zinc/65/55/72/391655572.db2.gz OGYDIXRZRZELQW-KRWDZBQOSA-N 2 3 297.487 1.666 20 0 CDADHP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CCN2C1 ZINC000401010093 424422995 /nfs/dbraw/zinc/42/29/95/424422995.db2.gz LVKTZTJRHLGXSH-OXGONZEZSA-N 2 3 263.429 1.591 20 0 CDADHP NCCC[N@H+](CC1CCCC1)CC1CC[NH2+]CC1 ZINC000352503466 303377294 /nfs/dbraw/zinc/37/72/94/303377294.db2.gz GSAUIFFFLHKRBQ-UHFFFAOYSA-N 2 3 253.434 1.827 20 0 CDADHP NCCC[N@@H+](CC1CCCC1)CC1CC[NH2+]CC1 ZINC000352503466 303377295 /nfs/dbraw/zinc/37/72/95/303377295.db2.gz GSAUIFFFLHKRBQ-UHFFFAOYSA-N 2 3 253.434 1.827 20 0 CDADHP CN(C)CCOc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000666787350 483157286 /nfs/dbraw/zinc/15/72/86/483157286.db2.gz JTLWZSJNAIBFPV-MRXNPFEDSA-N 2 3 291.439 1.716 20 0 CDADHP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000925777518 617673622 /nfs/dbraw/zinc/67/36/22/617673622.db2.gz FERFXHGZPSVAFF-DRZSPHRISA-N 2 3 262.401 1.769 20 0 CDADHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903792534 626089058 /nfs/dbraw/zinc/08/90/58/626089058.db2.gz DBLDXXNYXMKMTE-CVEARBPZSA-N 2 3 287.451 1.834 20 0 CDADHP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@]3(C2)CCCCN3)CC[NH2+]1 ZINC000904431421 626291629 /nfs/dbraw/zinc/29/16/29/626291629.db2.gz ZFBYAQTWPUQJDB-ILXRZTDVSA-N 2 3 251.418 1.593 20 0 CDADHP C[C@@H]1C[C@@H](C[N@H+]2CC[C@]3(C2)CCCCN3)CC[NH2+]1 ZINC000904431421 626291632 /nfs/dbraw/zinc/29/16/32/626291632.db2.gz ZFBYAQTWPUQJDB-ILXRZTDVSA-N 2 3 251.418 1.593 20 0 CDADHP [NH3+]C1CC(C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925729790 837513868 /nfs/dbraw/zinc/51/38/68/837513868.db2.gz MBWTWJNIEQSLQX-MOQPVCNJSA-N 2 3 251.418 1.482 20 0 CDADHP C[NH+](C)CC1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000700329868 842856409 /nfs/dbraw/zinc/85/64/09/842856409.db2.gz XKKINXODDPPJCT-OAHLLOKOSA-N 2 3 253.434 1.650 20 0 CDADHP C[NH2+]Cc1ccc(NC(=O)[C@@H](N)CCCC[NH+](C)C)cc1 ZINC001160444199 938787674 /nfs/dbraw/zinc/78/76/74/938787674.db2.gz YKAQFNWLESIQOS-HNNXBMFYSA-N 2 3 292.427 1.404 20 0 CDADHP [NH3+]CC1(F)CCN(Cc2ccc3c(c2)C[NH2+]C3)CC1 ZINC001222548675 941612964 /nfs/dbraw/zinc/61/29/64/941612964.db2.gz XXMJEEJHTGSXMV-UHFFFAOYSA-N 2 3 263.360 1.553 20 0 CDADHP F[C@@H]1CCNC[C@@]12CC[N@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235401115 944144922 /nfs/dbraw/zinc/14/49/22/944144922.db2.gz FURABQOAOPWXEX-NVXWUHKLSA-N 2 3 295.446 1.790 20 0 CDADHP F[C@@H]1CCNC[C@@]12CC[N@@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235401115 944144926 /nfs/dbraw/zinc/14/49/26/944144926.db2.gz FURABQOAOPWXEX-NVXWUHKLSA-N 2 3 295.446 1.790 20 0 CDADHP C([C@H]1[C@@H]2C[NH2+]C[C@H]12)[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236373134 944485960 /nfs/dbraw/zinc/48/59/60/944485960.db2.gz UCTOCDVNFGKTCH-SIXLDLHFSA-N 2 3 277.456 1.696 20 0 CDADHP C([C@H]1[C@@H]2C[NH2+]C[C@H]12)[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236373134 944485967 /nfs/dbraw/zinc/48/59/67/944485967.db2.gz UCTOCDVNFGKTCH-SIXLDLHFSA-N 2 3 277.456 1.696 20 0 CDADHP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CNCC12CC2 ZINC001246134666 947980023 /nfs/dbraw/zinc/98/00/23/947980023.db2.gz RNNJICNTLBPSMV-ZIAGYGMSSA-N 2 3 253.434 1.839 20 0 CDADHP CC[NH+](CC)CC[C@@H](C)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246138039 947983190 /nfs/dbraw/zinc/98/31/90/947983190.db2.gz ADJAXDKTXTVHND-CVEARBPZSA-N 2 3 296.503 1.571 20 0 CDADHP C[C@@H]1C[C@@H]([N@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246441542 948173027 /nfs/dbraw/zinc/17/30/27/948173027.db2.gz ISOYONVHYMJSNT-ANQUJSFKSA-N 2 3 295.471 1.878 20 0 CDADHP C[C@@H]1C[C@@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246441542 948173033 /nfs/dbraw/zinc/17/30/33/948173033.db2.gz ISOYONVHYMJSNT-ANQUJSFKSA-N 2 3 295.471 1.878 20 0 CDADHP [NH3+]C[C@@]1(F)CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246553534 948259254 /nfs/dbraw/zinc/25/92/54/948259254.db2.gz ZAOUYVCCIMHUMZ-LXTVHRRPSA-N 2 3 269.408 1.812 20 0 CDADHP [NH3+]C[C@@]1(F)CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246553534 948259261 /nfs/dbraw/zinc/25/92/61/948259261.db2.gz ZAOUYVCCIMHUMZ-LXTVHRRPSA-N 2 3 269.408 1.812 20 0 CDADHP C1CC2(C[NH2+]1)CCC([N@@H+]1CC[C@@]3(C1)CCCNC3)CC2 ZINC001246611707 948345216 /nfs/dbraw/zinc/34/52/16/948345216.db2.gz VHYCLYDYJLRHIP-JCYILVPMSA-N 2 3 277.456 1.984 20 0 CDADHP C1CC2(C[NH2+]1)CCC([N@H+]1CC[C@@]3(C1)CCCNC3)CC2 ZINC001246611707 948345224 /nfs/dbraw/zinc/34/52/24/948345224.db2.gz VHYCLYDYJLRHIP-JCYILVPMSA-N 2 3 277.456 1.984 20 0 CDADHP C[C@H]1C[C@H]([N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CCN1 ZINC001246641960 948379679 /nfs/dbraw/zinc/37/96/79/948379679.db2.gz ALSZSOKQPKIVAK-NUEKZKHPSA-N 2 3 265.445 1.981 20 0 CDADHP C[C@H]1C[C@H]([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CCN1 ZINC001246641960 948379685 /nfs/dbraw/zinc/37/96/85/948379685.db2.gz ALSZSOKQPKIVAK-NUEKZKHPSA-N 2 3 265.445 1.981 20 0 CDADHP C1[NH2+]C[C@H]2C[C@@H]([N@@H+]3CCCC[C@@]34CCCNC4)C[C@@H]12 ZINC001246655295 948390738 /nfs/dbraw/zinc/39/07/38/948390738.db2.gz YWLHTBABQUMKPG-FZKCQIBNSA-N 2 3 263.429 1.593 20 0 CDADHP C1[NH2+]C[C@H]2C[C@@H]([N@H+]3CCCC[C@@]34CCCNC4)C[C@@H]12 ZINC001246655295 948390747 /nfs/dbraw/zinc/39/07/47/948390747.db2.gz YWLHTBABQUMKPG-FZKCQIBNSA-N 2 3 263.429 1.593 20 0 CDADHP F[C@@H]1CCNC[C@@]12CC[N@@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246693817 948406898 /nfs/dbraw/zinc/40/68/98/948406898.db2.gz QUGGBOLUTYLKQD-BFYDXBDKSA-N 2 3 295.446 1.932 20 0 CDADHP F[C@@H]1CCNC[C@@]12CC[N@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246693817 948406903 /nfs/dbraw/zinc/40/69/03/948406903.db2.gz QUGGBOLUTYLKQD-BFYDXBDKSA-N 2 3 295.446 1.932 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CCN1 ZINC001549338364 968144425 /nfs/dbraw/zinc/14/44/25/968144425.db2.gz YRRJDAUDPLHDLL-CJNGLKHVSA-N 2 3 265.445 1.839 20 0 CDADHP C[C@H]([NH2+]CC1=CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000392273140 539162123 /nfs/dbraw/zinc/16/21/23/539162123.db2.gz WLWOZGLEIHNUKC-ZDUSSCGKSA-N 2 3 251.418 1.568 20 0 CDADHP CC[NH+]1CCC(CCNC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629564997 363016023 /nfs/dbraw/zinc/01/60/23/363016023.db2.gz NVXJPADFXJXDOI-INIZCTEOSA-N 2 3 283.460 1.155 20 0 CDADHP CC[NH+](CC)CCOC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000262047723 359130526 /nfs/dbraw/zinc/13/05/26/359130526.db2.gz ZEGZYBQZYKTKTA-INIZCTEOSA-N 2 3 297.487 1.809 20 0 CDADHP COCC1(CN[C@@H](C)[C@H]2CCCC[NH2+]2)CC[NH2+]CC1 ZINC000423409420 359773495 /nfs/dbraw/zinc/77/34/95/359773495.db2.gz PZWAPBJOPCBXFQ-UONOGXRCSA-N 2 3 269.433 1.123 20 0 CDADHP CC(C)[C@H](C[NH3+])CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000634996467 360625449 /nfs/dbraw/zinc/62/54/49/360625449.db2.gz KULJWBBBNQNWOA-BZUAXINKSA-N 2 3 283.460 1.436 20 0 CDADHP CC(C)[C@H](CN)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000634996467 360625452 /nfs/dbraw/zinc/62/54/52/360625452.db2.gz KULJWBBBNQNWOA-BZUAXINKSA-N 2 3 283.460 1.436 20 0 CDADHP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H]1CCCNC1 ZINC000567638203 371076840 /nfs/dbraw/zinc/07/68/40/371076840.db2.gz ZMULXONRHOIOTC-ZUJMUWTESA-N 2 3 253.434 1.837 20 0 CDADHP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)C1CNC1 ZINC000422881076 245366112 /nfs/dbraw/zinc/36/61/12/245366112.db2.gz NKDONJFUDHWTPJ-ZIAGYGMSSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CNC1 ZINC000422881076 245366115 /nfs/dbraw/zinc/36/61/15/245366115.db2.gz NKDONJFUDHWTPJ-ZIAGYGMSSA-N 2 3 253.434 1.839 20 0 CDADHP CN1[C@@H]2CC[C@H]1CC([NH2+]CCN1CCC([NH+](C)C)CC1)C2 ZINC000192931116 373657292 /nfs/dbraw/zinc/65/72/92/373657292.db2.gz HZDUWVFWTADMKM-ZXFUBFMLSA-N 2 3 294.487 1.227 20 0 CDADHP C[C@@H]1CC2(C[N@@H+]1C[C@H]1CCCNC1)CC[NH2+]CC2 ZINC000335275872 296294625 /nfs/dbraw/zinc/29/46/25/296294625.db2.gz AVBNOAQNFBWTCV-KGLIPLIRSA-N 2 3 251.418 1.450 20 0 CDADHP C[C@@H]1CC2(C[N@H+]1C[C@H]1CCCNC1)CC[NH2+]CC2 ZINC000335275872 296294626 /nfs/dbraw/zinc/29/46/26/296294626.db2.gz AVBNOAQNFBWTCV-KGLIPLIRSA-N 2 3 251.418 1.450 20 0 CDADHP C[N@H+]1CC=C(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000392202385 391372854 /nfs/dbraw/zinc/37/28/54/391372854.db2.gz AAEIVPFPCJEKGX-HRCADAONSA-N 2 3 263.429 1.759 20 0 CDADHP C[N@@H+]1CC=C(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000392202385 391372858 /nfs/dbraw/zinc/37/28/58/391372858.db2.gz AAEIVPFPCJEKGX-HRCADAONSA-N 2 3 263.429 1.759 20 0 CDADHP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000423034750 392289725 /nfs/dbraw/zinc/28/97/25/392289725.db2.gz QMQBWSUNYDXADH-RHSMWYFYSA-N 2 3 291.439 1.470 20 0 CDADHP CC[C@@H](NC[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000423417498 392563519 /nfs/dbraw/zinc/56/35/19/392563519.db2.gz FQLQCBIBWHNRHD-TUVASFSCSA-N 2 3 253.434 1.872 20 0 CDADHP CC[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCCN1 ZINC000423417498 392563522 /nfs/dbraw/zinc/56/35/22/392563522.db2.gz FQLQCBIBWHNRHD-TUVASFSCSA-N 2 3 253.434 1.872 20 0 CDADHP C(CN1CCC[C@@H]1C[NH+]1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000420323722 397700514 /nfs/dbraw/zinc/70/05/14/397700514.db2.gz UPVSZQCLMBDUAR-JKSUJKDBSA-N 2 3 265.445 1.936 20 0 CDADHP N[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000665233742 413959086 /nfs/dbraw/zinc/95/90/86/413959086.db2.gz OGEUBTNDMBTRSD-HOTGVXAUSA-N 2 3 295.471 1.737 20 0 CDADHP C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665299679 414044601 /nfs/dbraw/zinc/04/46/01/414044601.db2.gz RFIARPODWFSNIT-RRQGHBQHSA-N 2 3 295.471 1.450 20 0 CDADHP N[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000521463041 281075147 /nfs/dbraw/zinc/07/51/47/281075147.db2.gz WHFMUKYMYZQFPU-UONOGXRCSA-N 2 3 251.418 1.720 20 0 CDADHP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000226345198 289874570 /nfs/dbraw/zinc/87/45/70/289874570.db2.gz BTALBQBVOVUJLN-KGLIPLIRSA-N 2 3 253.434 1.825 20 0 CDADHP CN1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CC3CC3)[C@@H]2C1 ZINC001272293270 1161065113 /nfs/dbraw/zinc/06/51/13/1161065113.db2.gz YDPKWDYJUWMQBF-SOUVJXGZSA-N 2 3 277.412 1.023 20 0 CDADHP CC[NH+](CC)CCOCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000774350418 575200818 /nfs/dbraw/zinc/20/08/18/575200818.db2.gz YISHROWYMHFIHZ-MQVJKMGUSA-N 2 3 283.460 1.560 20 0 CDADHP CC[NH+](CC)CCOCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000774350418 575200819 /nfs/dbraw/zinc/20/08/19/575200819.db2.gz YISHROWYMHFIHZ-MQVJKMGUSA-N 2 3 283.460 1.560 20 0 CDADHP C[C@H]1C[C@H](CN2CCC([NH2+]C3CCOCC3)CC2)CC[NH2+]1 ZINC000903947951 626163837 /nfs/dbraw/zinc/16/38/37/626163837.db2.gz JFALXHKANNIVGX-LSDHHAIUSA-N 2 3 295.471 1.608 20 0 CDADHP C[C@]1(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CCC[NH2+]C1 ZINC000904373127 626269059 /nfs/dbraw/zinc/26/90/59/626269059.db2.gz BBWCWKXSVGHOPL-QAETUUGQSA-N 2 3 295.471 1.594 20 0 CDADHP CCCN1CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000089140579 843469427 /nfs/dbraw/zinc/46/94/27/843469427.db2.gz VMQXEZKCQOWHJA-DZGCQCFKSA-N 2 3 253.434 1.968 20 0 CDADHP CC(C)N1CC[C@@H](C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000054243438 847271123 /nfs/dbraw/zinc/27/11/23/847271123.db2.gz BWPLHWBVIHOVTN-HNNXBMFYSA-N 2 3 253.434 1.648 20 0 CDADHP COCCCN1CCC([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001172247915 911519835 /nfs/dbraw/zinc/51/98/35/911519835.db2.gz PRFAHMSJUOLNKE-SJORKVTESA-N 2 3 297.487 1.950 20 0 CDADHP C[C@@H]1C[N@H+](C[C@H](O)CNC(C)(C)C)CCC[C@H]1C[NH3+] ZINC001246025868 930875753 /nfs/dbraw/zinc/87/57/53/930875753.db2.gz DHEHDHCECATWJG-HZSPNIEDSA-N 2 3 271.449 1.042 20 0 CDADHP C[C@@H]1C[N@@H+](C[C@H](O)CNC(C)(C)C)CCC[C@H]1C[NH3+] ZINC001246025868 930875764 /nfs/dbraw/zinc/87/57/64/930875764.db2.gz DHEHDHCECATWJG-HZSPNIEDSA-N 2 3 271.449 1.042 20 0 CDADHP C[C@@H]1CN(C[C@H](O)C[NH2+]C(C)(C)C)CCC[C@H]1C[NH3+] ZINC001246025868 930875769 /nfs/dbraw/zinc/87/57/69/930875769.db2.gz DHEHDHCECATWJG-HZSPNIEDSA-N 2 3 271.449 1.042 20 0 CDADHP CC(C)P(CCNC(=O)[C@@H]([NH3+])CCC[NH3+])C(C)C ZINC001221254128 941508021 /nfs/dbraw/zinc/50/80/21/941508021.db2.gz FRZRQKPULBWIHQ-LBPRGKRZSA-N 2 3 275.377 1.468 20 0 CDADHP c1ccc([C@@]23C[NH2+]C[C@@H]2CN(CC2CC[NH2+]CC2)C3)cc1 ZINC001236003864 944370306 /nfs/dbraw/zinc/37/03/06/944370306.db2.gz APAGQMWPENJMMG-MSOLQXFVSA-N 2 3 285.435 1.459 20 0 CDADHP C[C@@H]1CC[C@H](C[NH2+]C2CCC(N3CCOCC3)CC2)C[NH2+]1 ZINC001246095483 947947248 /nfs/dbraw/zinc/94/72/48/947947248.db2.gz KFLVGCNQLQSQFJ-XNIRIUNOSA-N 2 3 295.471 1.608 20 0 CDADHP C[C@@H]1C[NH2+]CCC[C@@H]1C[NH2+][C@H]1CCNC2(CCC2)C1 ZINC001246101237 947951563 /nfs/dbraw/zinc/95/15/63/947951563.db2.gz ZUYDDMMFYZOMKQ-KFWWJZLASA-N 2 3 265.445 1.886 20 0 CDADHP C[C@@H]1CC[C@@H](CN[C@H]2CCC3(C2)CC[NH2+]CC3)[NH2+]C1 ZINC001246113861 947966014 /nfs/dbraw/zinc/96/60/14/947966014.db2.gz OCPIXQILVOMKBB-ILXRZTDVSA-N 2 3 265.445 1.886 20 0 CDADHP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2C[NH2+]Cc3cccn3C2)CCN1 ZINC001246143152 947987380 /nfs/dbraw/zinc/98/73/80/947987380.db2.gz UAYSCPSXIBQURS-RBSFLKMASA-N 2 3 276.428 1.328 20 0 CDADHP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CCN1 ZINC001246148081 947988357 /nfs/dbraw/zinc/98/83/57/947988357.db2.gz PTUYQXPPWFWDBE-KBXIAJHMSA-N 2 3 265.445 1.742 20 0 CDADHP CC(C)[NH+]1CCC(C[NH2+][C@@H]2CCN[C@H](C)C2)CC1 ZINC001246188455 948019243 /nfs/dbraw/zinc/01/92/43/948019243.db2.gz JFRAERZDRWNJKI-UKRRQHHQSA-N 2 3 253.434 1.837 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC3(CC[NH2+]CC3)C2)CCN1 ZINC001246256705 948059272 /nfs/dbraw/zinc/05/92/72/948059272.db2.gz PSNKSUHUJLUBQZ-RDBSUJKOSA-N 2 3 267.417 1.018 20 0 CDADHP C1C[C@]2(CCCNC2)[N@@H+]1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246603739 948337466 /nfs/dbraw/zinc/33/74/66/948337466.db2.gz MCSGKBIMIZHLFI-XHSDSOJGSA-N 2 3 263.429 1.737 20 0 CDADHP C1C[C@]2(CCCNC2)[N@H+]1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246603739 948337471 /nfs/dbraw/zinc/33/74/71/948337471.db2.gz MCSGKBIMIZHLFI-XHSDSOJGSA-N 2 3 263.429 1.737 20 0 CDADHP CCCC[C@H]1C[C@@H](N2CC[C@H]3C[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001246624462 948360376 /nfs/dbraw/zinc/36/03/76/948360376.db2.gz PXXGLTLFWQSVQJ-YHUYYLMFSA-N 2 3 265.445 1.981 20 0 CDADHP CCCC[C@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])CC[NH2+]1 ZINC001246655814 948389572 /nfs/dbraw/zinc/38/95/72/948389572.db2.gz AQWYGVAHJUOWTL-YTFOTSKYSA-N 2 3 251.418 1.719 20 0 CDADHP C[NH+]1CCC(C2CC[NH+](C3CCNCC3)CC2)CC1 ZINC001246802343 948448068 /nfs/dbraw/zinc/44/80/68/948448068.db2.gz JPSVBWSVKFTJOX-UHFFFAOYSA-N 2 3 265.445 1.792 20 0 CDADHP C[NH+]1CCC(C2CCN(C3CC[NH2+]CC3)CC2)CC1 ZINC001246802343 948448072 /nfs/dbraw/zinc/44/80/72/948448072.db2.gz JPSVBWSVKFTJOX-UHFFFAOYSA-N 2 3 265.445 1.792 20 0 CDADHP NCC[C@@H]1CCC[N@@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246835221 948468356 /nfs/dbraw/zinc/46/83/56/948468356.db2.gz ZMPRSCDYLDHBBX-KBPBESRZSA-N 2 3 251.418 1.722 20 0 CDADHP NCC[C@@H]1CCC[N@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246835221 948468358 /nfs/dbraw/zinc/46/83/58/948468358.db2.gz ZMPRSCDYLDHBBX-KBPBESRZSA-N 2 3 251.418 1.722 20 0 CDADHP CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422867276 359665260 /nfs/dbraw/zinc/66/52/60/359665260.db2.gz RXFNCNQNZUJADJ-RBSFLKMASA-N 2 3 271.449 1.593 20 0 CDADHP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000423172738 359755617 /nfs/dbraw/zinc/75/56/17/359755617.db2.gz UYGZCWQTNARLSI-ILXRZTDVSA-N 2 3 253.434 1.825 20 0 CDADHP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000423172738 359755619 /nfs/dbraw/zinc/75/56/19/359755619.db2.gz UYGZCWQTNARLSI-ILXRZTDVSA-N 2 3 253.434 1.825 20 0 CDADHP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423508665 359831121 /nfs/dbraw/zinc/83/11/21/359831121.db2.gz IZPWJKBYPAKOST-CWRNSKLLSA-N 2 3 261.413 1.849 20 0 CDADHP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000635003187 360646034 /nfs/dbraw/zinc/64/60/34/360646034.db2.gz AKUYNJZMYAOHRZ-AJNGGQMLSA-N 2 3 251.418 1.720 20 0 CDADHP CC(C)[C@H](C[NH3+])CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000634996469 360626322 /nfs/dbraw/zinc/62/63/22/360626322.db2.gz KULJWBBBNQNWOA-OWCLPIDISA-N 2 3 283.460 1.436 20 0 CDADHP CC(C)[C@H](CN)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000634996469 360626325 /nfs/dbraw/zinc/62/63/25/360626325.db2.gz KULJWBBBNQNWOA-OWCLPIDISA-N 2 3 283.460 1.436 20 0 CDADHP CC[NH+](CC)CCOCCN[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000349670665 360928273 /nfs/dbraw/zinc/92/82/73/360928273.db2.gz VITKJUKJRHNGNP-CVEARBPZSA-N 2 3 285.476 1.665 20 0 CDADHP CC[NH+](CC)CCOCCN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000349670665 360928275 /nfs/dbraw/zinc/92/82/75/360928275.db2.gz VITKJUKJRHNGNP-CVEARBPZSA-N 2 3 285.476 1.665 20 0 CDADHP C[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]1CN ZINC000422639216 297367223 /nfs/dbraw/zinc/36/72/23/297367223.db2.gz SJXHZBRCOFBMSX-QPSCCSFWSA-N 2 3 253.434 1.681 20 0 CDADHP C[C@@H]1C[C@H](C)N(CC[C@@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000422639216 297367224 /nfs/dbraw/zinc/36/72/24/297367224.db2.gz SJXHZBRCOFBMSX-QPSCCSFWSA-N 2 3 253.434 1.681 20 0 CDADHP C[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]1CN ZINC000422639216 297367222 /nfs/dbraw/zinc/36/72/22/297367222.db2.gz SJXHZBRCOFBMSX-QPSCCSFWSA-N 2 3 253.434 1.681 20 0 CDADHP C[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C[C@H]1CN ZINC000647992556 391699974 /nfs/dbraw/zinc/69/99/74/391699974.db2.gz OFFYLHAGKIVRDO-UKRRQHHQSA-N 2 3 253.434 1.683 20 0 CDADHP C[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C[C@H]1CN ZINC000647992556 391699975 /nfs/dbraw/zinc/69/99/75/391699975.db2.gz OFFYLHAGKIVRDO-UKRRQHHQSA-N 2 3 253.434 1.683 20 0 CDADHP C[C@@H]1CCN(CCCC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000647992556 391699978 /nfs/dbraw/zinc/69/99/78/391699978.db2.gz OFFYLHAGKIVRDO-UKRRQHHQSA-N 2 3 253.434 1.683 20 0 CDADHP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000423172741 392412121 /nfs/dbraw/zinc/41/21/21/392412121.db2.gz UYGZCWQTNARLSI-RBSFLKMASA-N 2 3 253.434 1.825 20 0 CDADHP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000423172741 392412129 /nfs/dbraw/zinc/41/21/29/392412129.db2.gz UYGZCWQTNARLSI-RBSFLKMASA-N 2 3 253.434 1.825 20 0 CDADHP C[C@@H]([NH2+]CCCN1CCCN(C)CC1)C1CC[NH+](C)CC1 ZINC000128675684 538690260 /nfs/dbraw/zinc/69/02/60/538690260.db2.gz HNFDWPGACVTISO-MRXNPFEDSA-N 2 3 296.503 1.334 20 0 CDADHP CC[NH+](CC)CCOCCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925648507 617591407 /nfs/dbraw/zinc/59/14/07/617591407.db2.gz VHBJFESGEALIIP-ZIAGYGMSSA-N 2 3 269.433 1.204 20 0 CDADHP C[NH+](C)[C@H]1CC[C@H]2[C@@H](C1)OCCN2CC1CC[NH+](C)CC1 ZINC000892232691 617567241 /nfs/dbraw/zinc/56/72/41/617567241.db2.gz AOSPFFZHACMOPB-YESZJQIVSA-N 2 3 295.471 1.512 20 0 CDADHP NCC[C@@H]1CCCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917903 626157369 /nfs/dbraw/zinc/15/73/69/626157369.db2.gz OJCNFPMODMTCJM-DKUMPPAJSA-N 2 3 251.418 1.720 20 0 CDADHP NCC[C@@H]1CCCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917903 626157371 /nfs/dbraw/zinc/15/73/71/626157371.db2.gz OJCNFPMODMTCJM-DKUMPPAJSA-N 2 3 251.418 1.720 20 0 CDADHP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCN(CC(C)(C)O)CC2)C1 ZINC000877073100 698073225 /nfs/dbraw/zinc/07/32/25/698073225.db2.gz CKSUBJNSLLFQMS-JKSUJKDBSA-N 2 3 297.487 1.684 20 0 CDADHP C[C@]12C[NH2+]C[C@@]1(C)CN(CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000923409355 848939289 /nfs/dbraw/zinc/93/92/89/848939289.db2.gz PEYLBZQIWLNTIY-OQVBHOJDSA-N 2 3 277.456 1.839 20 0 CDADHP CC(C)N(CC1(F)CC[NH2+]CC1)[C@@H]1CCC[NH2+]CC1 ZINC001206584235 936614077 /nfs/dbraw/zinc/61/40/77/936614077.db2.gz XSCOYWZNEOUTOK-CQSZACIVSA-N 2 3 271.424 1.931 20 0 CDADHP CN(C)C1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)CC[NH+](C)CC1 ZINC001169095717 927692585 /nfs/dbraw/zinc/69/25/85/927692585.db2.gz RZGOCXCLPYTHLL-MUJYYYPQSA-N 2 3 294.487 1.227 20 0 CDADHP C(C[N@@H+]1CCCC12CCNCC2)C1CC[NH2+]CC1 ZINC001235140261 944070059 /nfs/dbraw/zinc/07/00/59/944070059.db2.gz HZQOFLOOEJLYAC-UHFFFAOYSA-N 2 3 251.418 1.594 20 0 CDADHP C(C[N@H+]1CCCC12CCNCC2)C1CC[NH2+]CC1 ZINC001235140261 944070066 /nfs/dbraw/zinc/07/00/66/944070066.db2.gz HZQOFLOOEJLYAC-UHFFFAOYSA-N 2 3 251.418 1.594 20 0 CDADHP CC1(C[N@@H+]2CC[C@]3(C2)CNCC[C@H]3F)CC[NH2+]CC1 ZINC001235407012 944146833 /nfs/dbraw/zinc/14/68/33/944146833.db2.gz SBSSTBFYVBQLQT-UKRRQHHQSA-N 2 3 269.408 1.400 20 0 CDADHP CC1(C[N@H+]2CC[C@]3(C2)CNCC[C@H]3F)CC[NH2+]CC1 ZINC001235407012 944146836 /nfs/dbraw/zinc/14/68/36/944146836.db2.gz SBSSTBFYVBQLQT-UKRRQHHQSA-N 2 3 269.408 1.400 20 0 CDADHP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC001246109762 947960837 /nfs/dbraw/zinc/96/08/37/947960837.db2.gz KVNQWMIYWGYDSM-BLNMRFBMSA-N 2 3 265.445 1.979 20 0 CDADHP C1CC12CNC[C@@H]2[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246132803 947978072 /nfs/dbraw/zinc/97/80/72/947978072.db2.gz MDPWFAARGVIUBY-SLTAFYQDSA-N 2 3 263.429 1.640 20 0 CDADHP C[C@@H]1CC[C@@H](NCC[C@@H]2C[NH2+]Cc3cccn3C2)C[NH2+]1 ZINC001246136269 947980620 /nfs/dbraw/zinc/98/06/20/947980620.db2.gz DECYJSIDIPINFJ-RBSFLKMASA-N 2 3 276.428 1.328 20 0 CDADHP CCCC[C@@H]1C[C@@H](NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CC[NH2+]1 ZINC001246137522 947982847 /nfs/dbraw/zinc/98/28/47/947982847.db2.gz ZGDPFSMYQNPHLL-LJIZCISZSA-N 2 3 281.444 1.264 20 0 CDADHP CCOC(=O)C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)C1CC[NH2+]CC1 ZINC001246225239 948040043 /nfs/dbraw/zinc/04/00/43/948040043.db2.gz DIZVXQIGYZCXOV-SNPRPXQTSA-N 2 3 297.443 1.038 20 0 CDADHP CC[C@H]1C[C@@H]([N@@H+]2CCCC3(CC[NH2+]CC3)C2)CCN1 ZINC001246525363 948227370 /nfs/dbraw/zinc/22/73/70/948227370.db2.gz WNTDZBSHEPEOEJ-GJZGRUSLSA-N 2 3 265.445 1.983 20 0 CDADHP CC[C@H]1C[C@@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)CCN1 ZINC001246525363 948227375 /nfs/dbraw/zinc/22/73/75/948227375.db2.gz WNTDZBSHEPEOEJ-GJZGRUSLSA-N 2 3 265.445 1.983 20 0 CDADHP CCCC[C@@H]1C[C@@H](N2CCC[C@@](O)(C[NH3+])CC2)CC[NH2+]1 ZINC001246539136 948238171 /nfs/dbraw/zinc/23/81/71/948238171.db2.gz AUDCIMKIRVBISU-PMPSAXMXSA-N 2 3 283.460 1.473 20 0 CDADHP CC[NH+](CC)CCC[C@@H](C)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246619389 948350963 /nfs/dbraw/zinc/35/09/63/948350963.db2.gz QLLDSYISOCQURE-IKGGRYGDSA-N 2 3 296.503 1.523 20 0 CDADHP C1[NH2+]CC12CC[C@H]([N@@H+]1CCCC[C@@]13CCCNC3)C2 ZINC001246649281 948387051 /nfs/dbraw/zinc/38/70/51/948387051.db2.gz BHPCHMSRGHOQAQ-HOCLYGCPSA-N 2 3 263.429 1.737 20 0 CDADHP C1[NH2+]CC12CC[C@H]([N@H+]1CCCC[C@@]13CCCNC3)C2 ZINC001246649281 948387059 /nfs/dbraw/zinc/38/70/59/948387059.db2.gz BHPCHMSRGHOQAQ-HOCLYGCPSA-N 2 3 263.429 1.737 20 0 CDADHP C[NH+](C)[C@H]1CC[C@H]([NH2+]C[C@H](O)CNC(C)(C)C)CC1 ZINC001253410598 951893434 /nfs/dbraw/zinc/89/34/34/951893434.db2.gz NHGWTOGVSVJQCI-IHRRRGAJSA-N 2 3 271.449 1.198 20 0 CDADHP NC[C@]12CCC[C@@H]1C[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC001549116363 968028259 /nfs/dbraw/zinc/02/82/59/968028259.db2.gz NBMIRCGFPODWGA-ZNMIVQPWSA-N 2 3 251.418 1.437 20 0 CDADHP NC[C@]12CCC[C@@H]1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC001549116363 968028265 /nfs/dbraw/zinc/02/82/65/968028265.db2.gz NBMIRCGFPODWGA-ZNMIVQPWSA-N 2 3 251.418 1.437 20 0 CDADHP C[C@@H]1C[NH2+]CC[C@@H]1CN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629655710 363259765 /nfs/dbraw/zinc/25/97/65/363259765.db2.gz YBRBCUKPQIFZKN-FVCCEPFGSA-N 2 3 293.377 1.691 20 0 CDADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CN)C1 ZINC000629655710 363259768 /nfs/dbraw/zinc/25/97/68/363259768.db2.gz YBRBCUKPQIFZKN-FVCCEPFGSA-N 2 3 293.377 1.691 20 0 CDADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CN)C1 ZINC000629655710 363259771 /nfs/dbraw/zinc/25/97/71/363259771.db2.gz YBRBCUKPQIFZKN-FVCCEPFGSA-N 2 3 293.377 1.691 20 0 CDADHP CC(C)[C@H](CN)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000634994439 360622170 /nfs/dbraw/zinc/62/21/70/360622170.db2.gz DCEULLFTZUQPDS-QLFBSQMISA-N 2 3 253.434 1.539 20 0 CDADHP CC(C)[C@H](CN)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000634994439 360622175 /nfs/dbraw/zinc/62/21/75/360622175.db2.gz DCEULLFTZUQPDS-QLFBSQMISA-N 2 3 253.434 1.539 20 0 CDADHP CC[NH+](CC)CCOC1CCN(CCC[NH3+])CC1 ZINC000414753643 241367620 /nfs/dbraw/zinc/36/76/20/241367620.db2.gz MRKOYPXDDGBSIC-UHFFFAOYSA-N 2 3 257.422 1.158 20 0 CDADHP CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422850742 245330544 /nfs/dbraw/zinc/33/05/44/245330544.db2.gz DMVCAQUKAVZRFS-YYIAUSFCSA-N 2 3 297.487 1.854 20 0 CDADHP CN(C)CCOc1ccccc1C[NH2+]CC1CC[NH2+]CC1 ZINC000415087469 391007873 /nfs/dbraw/zinc/00/78/73/391007873.db2.gz URUBSYARLMNJII-UHFFFAOYSA-N 2 3 291.439 1.716 20 0 CDADHP CN(C)CCOc1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000437779867 391353190 /nfs/dbraw/zinc/35/31/90/391353190.db2.gz WMUZHRHXHBIBMB-UHFFFAOYSA-N 2 3 291.439 1.987 20 0 CDADHP [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc4c(c3)C[NH2+]CC4)C[C@H]12 ZINC000568050980 392344193 /nfs/dbraw/zinc/34/41/93/392344193.db2.gz QGRPNEHCGXBLQE-HYVNUMGLSA-N 2 3 271.408 1.501 20 0 CDADHP C([C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1)N1CCCC1 ZINC000178981686 140011029 /nfs/dbraw/zinc/01/10/29/140011029.db2.gz PQHFIQNFTQVGNS-OAHLLOKOSA-N 2 3 251.418 1.404 20 0 CDADHP C([C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1)N1CCCC1 ZINC000178981686 140011030 /nfs/dbraw/zinc/01/10/30/140011030.db2.gz PQHFIQNFTQVGNS-OAHLLOKOSA-N 2 3 251.418 1.404 20 0 CDADHP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000903906324 626140980 /nfs/dbraw/zinc/14/09/80/626140980.db2.gz VMMONIMWZSTDOV-UYTSQGDYSA-N 2 3 263.429 1.593 20 0 CDADHP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000903906324 626140981 /nfs/dbraw/zinc/14/09/81/626140981.db2.gz VMMONIMWZSTDOV-UYTSQGDYSA-N 2 3 263.429 1.593 20 0 CDADHP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000226345203 710796037 /nfs/dbraw/zinc/79/60/37/710796037.db2.gz BTALBQBVOVUJLN-UONOGXRCSA-N 2 3 253.434 1.825 20 0 CDADHP C[C@H](NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCC[NH2+]1 ZINC000873260694 711562980 /nfs/dbraw/zinc/56/29/80/711562980.db2.gz FVJNNGYLFNXQLH-RMEBNNNOSA-N 2 3 251.418 1.637 20 0 CDADHP CC(C)N1CCN(CCC[N@@H+]2CC[C@H](CC[NH3+])C2)CC1 ZINC000923480206 711789081 /nfs/dbraw/zinc/78/90/81/711789081.db2.gz GENIOARSCYYUPS-INIZCTEOSA-N 2 3 282.476 1.073 20 0 CDADHP CC(C)N1CCN(CCC[N@H+]2CC[C@H](CC[NH3+])C2)CC1 ZINC000923480206 711789082 /nfs/dbraw/zinc/78/90/82/711789082.db2.gz GENIOARSCYYUPS-INIZCTEOSA-N 2 3 282.476 1.073 20 0 CDADHP CCN1CCC[C@H]1CNC(=[NH2+])NCCCC[N@H+](C)C1CC1 ZINC000849039911 711794991 /nfs/dbraw/zinc/79/49/91/711794991.db2.gz YJEWXGMPKJWLKI-HNNXBMFYSA-N 2 3 295.475 1.459 20 0 CDADHP CCN1CCC[C@H]1CNC(=[NH2+])NCCCC[N@@H+](C)C1CC1 ZINC000849039911 711794992 /nfs/dbraw/zinc/79/49/92/711794992.db2.gz YJEWXGMPKJWLKI-HNNXBMFYSA-N 2 3 295.475 1.459 20 0 CDADHP C[C@H]1CC[C@@H](C[NH3+])CN1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001206772162 894149542 /nfs/dbraw/zinc/14/95/42/894149542.db2.gz YUWGFKZMHJDBQZ-ZFWWWQNUSA-N 2 3 273.424 1.892 20 0 CDADHP C[C@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)CCC[C@H]1C[NH3+] ZINC001206024125 928485553 /nfs/dbraw/zinc/48/55/53/928485553.db2.gz HWJIOBIGTZHRDJ-RYUDHWBXSA-N 2 3 294.468 1.596 20 0 CDADHP CC1(C)C[C@@H]([NH2+]CCCC2CC[NH2+]CC2)CCN1 ZINC001246107601 931039195 /nfs/dbraw/zinc/03/91/95/931039195.db2.gz SLTSRVQKFRERST-AWEZNQCLSA-N 2 3 253.434 1.886 20 0 CDADHP CC[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CCN1 ZINC001246147180 931110152 /nfs/dbraw/zinc/11/01/52/931110152.db2.gz LTWLKUVHUGLZCB-OWYFMNJBSA-N 2 3 265.445 1.742 20 0 CDADHP [NH3+]C[C@H]1CN(CCC23CC([NH3+])(C2)C3)CCC1(F)F ZINC001205735264 939930037 /nfs/dbraw/zinc/93/00/37/939930037.db2.gz LZKLJPDEIBHTJB-UNXYVOJBSA-N 2 3 259.344 1.174 20 0 CDADHP C[C@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)CCC[C@@H]1C[NH3+] ZINC001206024124 939969141 /nfs/dbraw/zinc/96/91/41/939969141.db2.gz HWJIOBIGTZHRDJ-NWDGAFQWSA-N 2 3 294.468 1.596 20 0 CDADHP C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H](CN)C2)CC1 ZINC001206606836 940070473 /nfs/dbraw/zinc/07/04/73/940070473.db2.gz UKULCFIOSQXCLZ-HNNXBMFYSA-N 2 3 253.434 1.779 20 0 CDADHP C[NH+]1CCC(CC[N@H+]2CCCC[C@@H](CN)C2)CC1 ZINC001206606836 940070474 /nfs/dbraw/zinc/07/04/74/940070474.db2.gz UKULCFIOSQXCLZ-HNNXBMFYSA-N 2 3 253.434 1.779 20 0 CDADHP C(C[N@@H+]1CCCC[C@]12CCCNC2)[C@@H]1CCC[NH2+]C1 ZINC001235171584 944077097 /nfs/dbraw/zinc/07/70/97/944077097.db2.gz KARKACSFUMMUGT-JKSUJKDBSA-N 2 3 265.445 1.984 20 0 CDADHP C(C[N@H+]1CCCC[C@]12CCCNC2)[C@@H]1CCC[NH2+]C1 ZINC001235171584 944077099 /nfs/dbraw/zinc/07/70/99/944077099.db2.gz KARKACSFUMMUGT-JKSUJKDBSA-N 2 3 265.445 1.984 20 0 CDADHP c1c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)sc2c1CNCC2 ZINC001236319978 944467384 /nfs/dbraw/zinc/46/73/84/944467384.db2.gz JIHMMLCLVZOAQR-BETUJISGSA-N 2 3 291.464 1.825 20 0 CDADHP c1c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)sc2c1CNCC2 ZINC001236319978 944467386 /nfs/dbraw/zinc/46/73/86/944467386.db2.gz JIHMMLCLVZOAQR-BETUJISGSA-N 2 3 291.464 1.825 20 0 CDADHP C(C[NH+]1CCC(CC2CC[NH2+]CC2)CC1)[C@@H]1CNCCO1 ZINC001236949304 944621136 /nfs/dbraw/zinc/62/11/36/944621136.db2.gz UDVKXYKMVKUSPG-QGZVFWFLSA-N 2 3 295.471 1.467 20 0 CDADHP O[C@]1(C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)CCCCNC1 ZINC001246104238 947939928 /nfs/dbraw/zinc/93/99/28/947939928.db2.gz AEJDBTNWOJQFDV-QGZVFWFLSA-N 2 3 295.471 1.393 20 0 CDADHP C[C@@H]1CC([NH2+]C[C@H]2CCC[NH2+]C[C@@H]2C)C[C@@H](C)N1 ZINC001246096818 947947524 /nfs/dbraw/zinc/94/75/24/947947524.db2.gz LSGWTPIVWONKPT-REWJHTLYSA-N 2 3 253.434 1.741 20 0 CDADHP C1[NH2+]CC12CCOC[C@H]2NC1CCC2(CC[NH2+]CC2)CC1 ZINC001246137931 947982596 /nfs/dbraw/zinc/98/25/96/947982596.db2.gz KJVNYZBCGCHMQA-OAHLLOKOSA-N 2 3 293.455 1.267 20 0 CDADHP C1NCC12CCOC[C@H]2[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246137931 947982600 /nfs/dbraw/zinc/98/26/00/947982600.db2.gz KJVNYZBCGCHMQA-OAHLLOKOSA-N 2 3 293.455 1.267 20 0 CDADHP COCCC1(C[NH2+][C@@H]2CCN[C@H](C)C2)CC[NH2+]CC1 ZINC001246370286 948142538 /nfs/dbraw/zinc/14/25/38/948142538.db2.gz JEKLIQFRFCZBQN-ZIAGYGMSSA-N 2 3 269.433 1.123 20 0 CDADHP CC[C@H]1C[C@H]([NH2+]CC2(CC)CC[NH2+]CC2)CCN1 ZINC001246425295 948167487 /nfs/dbraw/zinc/16/74/87/948167487.db2.gz XHXZCAYHZHWXBE-UONOGXRCSA-N 2 3 253.434 1.886 20 0 CDADHP C[C@@H]1C[C@@H]([N@@H+]2CCCC3(CC[NH2+]CC3)C2)C[C@H](C)N1 ZINC001246524846 948225458 /nfs/dbraw/zinc/22/54/58/948225458.db2.gz SPVLLUGSRYQXMC-QDMKHBRRSA-N 2 3 265.445 1.981 20 0 CDADHP C[C@@H]1C[C@@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)C[C@H](C)N1 ZINC001246524846 948225465 /nfs/dbraw/zinc/22/54/65/948225465.db2.gz SPVLLUGSRYQXMC-QDMKHBRRSA-N 2 3 265.445 1.981 20 0 CDADHP CCCC[C@H]1C[C@@H](N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CC[NH2+]1 ZINC001246629619 948368482 /nfs/dbraw/zinc/36/84/82/948368482.db2.gz GSDKTKMNPWBAPM-LTIDMASMSA-N 2 3 295.471 1.608 20 0 CDADHP C[C@H]1C[C@@H]([N@@H+]2CCC3(C2)CC[NH+](C)CC3)CCN1 ZINC001246843801 948471418 /nfs/dbraw/zinc/47/14/18/948471418.db2.gz WLZFMZVPHVZMLP-KBPBESRZSA-N 2 3 251.418 1.545 20 0 CDADHP C[C@H]1C[C@@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)CCN1 ZINC001246843801 948471424 /nfs/dbraw/zinc/47/14/24/948471424.db2.gz WLZFMZVPHVZMLP-KBPBESRZSA-N 2 3 251.418 1.545 20 0 CDADHP C1CC2(C[NH2+]1)CCC([N@@H+]1C[C@H]3CC[C@@H](C1)NC3)CC2 ZINC001246867679 948492565 /nfs/dbraw/zinc/49/25/65/948492565.db2.gz QBCBAEGLMUNCLK-FXQLRMTLSA-N 2 3 263.429 1.593 20 0 CDADHP C1CC2(C[NH2+]1)CCC([N@H+]1C[C@H]3CC[C@@H](C1)NC3)CC2 ZINC001246867679 948492570 /nfs/dbraw/zinc/49/25/70/948492570.db2.gz QBCBAEGLMUNCLK-FXQLRMTLSA-N 2 3 263.429 1.593 20 0 CDADHP C[C@@H]1C[C@@H](N2CCN(CC3CC[NH+](C)CC3)CC2)CC[NH2+]1 ZINC001246948519 948535532 /nfs/dbraw/zinc/53/55/32/948535532.db2.gz KOJHZOBZQPASJP-WBVHZDCISA-N 2 3 294.487 1.086 20 0 CDADHP C[NH+](C)CCCCCNC[C@H](O)C[NH2+]C(C)(C)C ZINC001253403317 951885776 /nfs/dbraw/zinc/88/57/76/951885776.db2.gz DWZBFRGDXKKFHQ-ZDUSSCGKSA-N 2 3 259.438 1.057 20 0 CDADHP C[NH+](C)CCCCC[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253403317 951885779 /nfs/dbraw/zinc/88/57/79/951885779.db2.gz DWZBFRGDXKKFHQ-ZDUSSCGKSA-N 2 3 259.438 1.057 20 0 CDADHP [NH3+][C@@H]1CCCC[C@@H]1NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001553301459 964618512 /nfs/dbraw/zinc/61/85/12/964618512.db2.gz QRGSGRVWEJLECW-MCIONIFRSA-N 2 3 267.417 1.005 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H]1CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC001550350211 965871896 /nfs/dbraw/zinc/87/18/96/965871896.db2.gz KNCBYTQPNCZDIY-QCODTGAPSA-N 2 3 281.444 1.203 20 0 CDADHP [NH3+]C[C@@H]1CN(CC[C@H]2CC[NH2+]C2)CC[C@H]1C(F)(F)F ZINC000629559247 363002651 /nfs/dbraw/zinc/00/26/51/363002651.db2.gz ANMJMIAZVHASLE-IJLUTSLNSA-N 2 3 279.350 1.445 20 0 CDADHP N[C@@H]1CCC[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000569987748 363269411 /nfs/dbraw/zinc/26/94/11/363269411.db2.gz FRPIROHFZAOUCA-RBSFLKMASA-N 2 3 269.433 1.083 20 0 CDADHP N[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000569987748 363269417 /nfs/dbraw/zinc/26/94/17/363269417.db2.gz FRPIROHFZAOUCA-RBSFLKMASA-N 2 3 269.433 1.083 20 0 CDADHP CCO[C@H](CC[NH+](C)C)CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422864675 359664376 /nfs/dbraw/zinc/66/43/76/359664376.db2.gz NNOYINIJZHWLMK-RRFJBIMHSA-N 2 3 271.449 1.321 20 0 CDADHP NC[C@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000423085519 359749720 /nfs/dbraw/zinc/74/97/20/359749720.db2.gz KCBNFQBLBBGYEZ-GDBMZVCRSA-N 2 3 265.445 1.968 20 0 CDADHP CC(C)[C@@H](CN)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000634996459 360626227 /nfs/dbraw/zinc/62/62/27/360626227.db2.gz KNUWKLQMTSWQRZ-HOTGVXAUSA-N 2 3 267.461 1.929 20 0 CDADHP CC(C)[C@@H](C[NH3+])CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000634996459 360626233 /nfs/dbraw/zinc/62/62/33/360626233.db2.gz KNUWKLQMTSWQRZ-HOTGVXAUSA-N 2 3 267.461 1.929 20 0 CDADHP C[C@@H]1CN(Cc2cccc3c2CC[NH2+]C3)C[C@H]1C[NH3+] ZINC000630077816 367347854 /nfs/dbraw/zinc/34/78/54/367347854.db2.gz QOXQZEVGCWBBNP-IUODEOHRSA-N 2 3 259.397 1.359 20 0 CDADHP COc1ccc([C@H](C[NH3+])CN2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000420304537 244055355 /nfs/dbraw/zinc/05/53/55/244055355.db2.gz YDLQRODOWNEUCT-CZUORRHYSA-N 2 3 291.439 1.797 20 0 CDADHP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1OCCN(C)C ZINC000422834601 245314824 /nfs/dbraw/zinc/31/48/24/245314824.db2.gz ZUUKIWWJYAUIGY-AWEZNQCLSA-N 2 3 279.428 1.844 20 0 CDADHP CC[NH+](CC)CCO[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000261658820 377882121 /nfs/dbraw/zinc/88/21/21/377882121.db2.gz BMLIRJRCAOFPQS-HZPDHXFCSA-N 2 3 283.460 1.419 20 0 CDADHP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000459730550 391428332 /nfs/dbraw/zinc/42/83/32/391428332.db2.gz KPXYJCNGSXFWHC-PMPSAXMXSA-N 2 3 265.445 1.935 20 0 CDADHP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000459730550 391428334 /nfs/dbraw/zinc/42/83/34/391428334.db2.gz KPXYJCNGSXFWHC-PMPSAXMXSA-N 2 3 265.445 1.935 20 0 CDADHP C[N@@H+]1CCC[C@H](CCN[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000459730550 391428336 /nfs/dbraw/zinc/42/83/36/391428336.db2.gz KPXYJCNGSXFWHC-PMPSAXMXSA-N 2 3 265.445 1.935 20 0 CDADHP C[N@H+]1CCC[C@H](CCN[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000459730550 391428338 /nfs/dbraw/zinc/42/83/38/391428338.db2.gz KPXYJCNGSXFWHC-PMPSAXMXSA-N 2 3 265.445 1.935 20 0 CDADHP C[NH+]1CCC[C@H](CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000459730550 391428341 /nfs/dbraw/zinc/42/83/41/391428341.db2.gz KPXYJCNGSXFWHC-PMPSAXMXSA-N 2 3 265.445 1.935 20 0 CDADHP C[NH+]1CCC[C@H](CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000459730550 391428343 /nfs/dbraw/zinc/42/83/43/391428343.db2.gz KPXYJCNGSXFWHC-PMPSAXMXSA-N 2 3 265.445 1.935 20 0 CDADHP C[N@@H+]1CCC[C@@H](N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000649414617 392201601 /nfs/dbraw/zinc/20/16/01/392201601.db2.gz MOXANCUPSDNZIR-IAGOWNOFSA-N 2 3 294.487 1.088 20 0 CDADHP C[N@H+]1CCC[C@@H](N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000649414617 392201603 /nfs/dbraw/zinc/20/16/03/392201603.db2.gz MOXANCUPSDNZIR-IAGOWNOFSA-N 2 3 294.487 1.088 20 0 CDADHP C[C@H](C[NH3+])CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423296531 392494572 /nfs/dbraw/zinc/49/45/72/392494572.db2.gz HEDGEJIHKDSWDX-KGLIPLIRSA-N 2 3 279.428 1.872 20 0 CDADHP N[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000665298917 414038206 /nfs/dbraw/zinc/03/82/06/414038206.db2.gz CGSNTFWMHMWJRJ-CVEARBPZSA-N 2 3 265.445 1.968 20 0 CDADHP C([NH2+][C@@H]1CCCNCC1)C1CC[NH+](CC2CC2)CC1 ZINC000665299202 414043823 /nfs/dbraw/zinc/04/38/23/414043823.db2.gz IKQQHBROKKCAOK-MRXNPFEDSA-N 2 3 265.445 1.840 20 0 CDADHP C[C@@H]1C[NH2+]CC[C@H]1C[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000663498451 414297083 /nfs/dbraw/zinc/29/70/83/414297083.db2.gz SXAWRCGGPHMDJC-HZSPNIEDSA-N 2 3 251.418 1.496 20 0 CDADHP C[C@H]([NH3+])[C@@H]1CCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662265707 414601161 /nfs/dbraw/zinc/60/11/61/414601161.db2.gz IAJMBQBNAAGLGK-GXTWGEPZSA-N 2 3 259.397 1.501 20 0 CDADHP C(O[C@H]1CC[NH2+]C1)C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000530238287 271177141 /nfs/dbraw/zinc/17/71/41/271177141.db2.gz MFMIMPZSYGURPS-CVEARBPZSA-N 2 3 281.444 1.077 20 0 CDADHP C(O[C@H]1CC[NH2+]C1)C1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000530238287 271177144 /nfs/dbraw/zinc/17/71/44/271177144.db2.gz MFMIMPZSYGURPS-CVEARBPZSA-N 2 3 281.444 1.077 20 0 CDADHP CC[N@@H+]1CC[C@@H](NCCN2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC000247217168 280323397 /nfs/dbraw/zinc/32/33/97/280323397.db2.gz WELCTEBFFJZMLU-DOTOQJQBSA-N 2 3 296.503 1.332 20 0 CDADHP CC[N@H+]1CC[C@@H](NCCN2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC000247217168 280323399 /nfs/dbraw/zinc/32/33/99/280323399.db2.gz WELCTEBFFJZMLU-DOTOQJQBSA-N 2 3 296.503 1.332 20 0 CDADHP C1[C@H](N[C@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C12CC[NH2+]CC2 ZINC000666955399 483019514 /nfs/dbraw/zinc/01/95/14/483019514.db2.gz GKKATKVTOAOMRA-AJNGGQMLSA-N 2 3 263.429 1.639 20 0 CDADHP CN(C)CCOc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000666962175 483023394 /nfs/dbraw/zinc/02/33/94/483023394.db2.gz GXHZTJDVAAYGMK-CVEARBPZSA-N 2 3 291.439 1.844 20 0 CDADHP C[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000130249305 538440755 /nfs/dbraw/zinc/44/07/55/538440755.db2.gz PVWBONURCMIBDI-NUEKZKHPSA-N 2 3 265.445 1.933 20 0 CDADHP C[C@H]([NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C)C1CC[NH2+]CC1 ZINC000925727261 617973387 /nfs/dbraw/zinc/97/33/87/617973387.db2.gz CZCVYUGJXGMMOA-PMOUVXMZSA-N 2 3 265.445 1.741 20 0 CDADHP C([C@@H]1CCCC[NH2+]C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000903752710 626074007 /nfs/dbraw/zinc/07/40/07/626074007.db2.gz UQJXRFDMMXMASA-GDBMZVCRSA-N 2 3 265.445 1.840 20 0 CDADHP [NH3+][C@@H]1CCCC[C@H]1NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903764275 626083101 /nfs/dbraw/zinc/08/31/01/626083101.db2.gz QRGSGRVWEJLECW-BFHYXJOUSA-N 2 3 267.417 1.005 20 0 CDADHP CC[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCNCC1 ZINC000903906078 626141163 /nfs/dbraw/zinc/14/11/63/626141163.db2.gz RLTGDJRRZVABTP-UYTSQGDYSA-N 2 3 265.445 1.981 20 0 CDADHP CC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCNCC1 ZINC000903906078 626141164 /nfs/dbraw/zinc/14/11/64/626141164.db2.gz RLTGDJRRZVABTP-UYTSQGDYSA-N 2 3 265.445 1.981 20 0 CDADHP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C1CNC1 ZINC000925820036 712043563 /nfs/dbraw/zinc/04/35/63/712043563.db2.gz BTAOHLKFQQUMOI-JEYLPNPQSA-N 2 3 265.445 1.981 20 0 CDADHP C(CC1CC[NH2+]CC1)CN1CC[NH2+]CCC12CCC2 ZINC000883459261 712204359 /nfs/dbraw/zinc/20/43/59/712204359.db2.gz QAABEDAFQVQZNS-UHFFFAOYSA-N 2 3 265.445 1.984 20 0 CDADHP C1CC2(C[C@@H]1[N@@H+]1CC[C@]3(C1)CCCNC3)CC[NH2+]CC2 ZINC001246601780 932064559 /nfs/dbraw/zinc/06/45/59/932064559.db2.gz GZRZAGRHYRDQRR-NVXWUHKLSA-N 2 3 277.456 1.984 20 0 CDADHP C1CC2(C[C@@H]1[N@H+]1CC[C@]3(C1)CCCNC3)CC[NH2+]CC2 ZINC001246601780 932064563 /nfs/dbraw/zinc/06/45/63/932064563.db2.gz GZRZAGRHYRDQRR-NVXWUHKLSA-N 2 3 277.456 1.984 20 0 CDADHP CC1([NH+]2CCC2)CCC([NH2+]C2CCNCC2)CC1 ZINC000925862226 932946691 /nfs/dbraw/zinc/94/66/91/932946691.db2.gz YMUQCECLOWWGAL-UHFFFAOYSA-N 2 3 251.418 1.735 20 0 CDADHP C(C1CC2(C1)CC[NH2+]CC2)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234989725 943999373 /nfs/dbraw/zinc/99/93/73/943999373.db2.gz BRDNNYYQRSMEDR-KRWDZBQOSA-N 2 3 277.456 1.842 20 0 CDADHP C1CC([NH2+]C2CCC3(CC[NH2+]CC3)CC2)CCN1 ZINC001246080541 947933105 /nfs/dbraw/zinc/93/31/05/947933105.db2.gz RGYAXLOCEZRJMA-UHFFFAOYSA-N 2 3 251.418 1.640 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]CC2CC3(C2)CC[NH2+]CC3)CCN1 ZINC001246123713 947973331 /nfs/dbraw/zinc/97/33/31/947973331.db2.gz ARFOGJXFOAVJQW-OCCSQVGLSA-N 2 3 251.418 1.496 20 0 CDADHP CCCC[C@@H]1C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)CCN1 ZINC001246275844 948072934 /nfs/dbraw/zinc/07/29/34/948072934.db2.gz AWRCJBYRJQFUJZ-RBSFLKMASA-N 2 3 253.434 1.886 20 0 CDADHP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H](CCC[NH3+])C2)CCN1 ZINC001246494253 948207527 /nfs/dbraw/zinc/20/75/27/948207527.db2.gz CPCORAXYXDPURJ-KFWWJZLASA-N 2 3 253.434 1.968 20 0 CDADHP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)CCN1 ZINC001246494253 948207535 /nfs/dbraw/zinc/20/75/35/948207535.db2.gz CPCORAXYXDPURJ-KFWWJZLASA-N 2 3 253.434 1.968 20 0 CDADHP CC(C)(C)[C@H]1C[C@@H](N2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246596805 948332848 /nfs/dbraw/zinc/33/28/48/948332848.db2.gz QXNVMEQGOWDEEQ-LSDHHAIUSA-N 2 3 294.487 1.181 20 0 CDADHP CCCC[C@H]1C[C@@H](N2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246596707 948333400 /nfs/dbraw/zinc/33/34/00/948333400.db2.gz QLHWCWMGVGYTRZ-HOTGVXAUSA-N 2 3 294.487 1.325 20 0 CDADHP C1C[C@]2(C[NH2+]1)CCC[C@H]([N@@H+]1CC[C@@]3(C1)CCCNC3)C2 ZINC001246601721 948338969 /nfs/dbraw/zinc/33/89/69/948338969.db2.gz GMAPVDQJBPCTLX-BBWFWOEESA-N 2 3 277.456 1.984 20 0 CDADHP C1C[C@]2(C[NH2+]1)CCC[C@H]([N@H+]1CC[C@@]3(C1)CCCNC3)C2 ZINC001246601721 948338979 /nfs/dbraw/zinc/33/89/79/948338979.db2.gz GMAPVDQJBPCTLX-BBWFWOEESA-N 2 3 277.456 1.984 20 0 CDADHP CC(C)[C@H]1C[C@@H](N2CC[C@H]3C[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001246625716 948361911 /nfs/dbraw/zinc/36/19/11/948361911.db2.gz SGRBBTMQRKLLMI-BYNSBNAKSA-N 2 3 251.418 1.447 20 0 CDADHP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CCN1 ZINC001246641956 948379059 /nfs/dbraw/zinc/37/90/59/948379059.db2.gz ALSZSOKQPKIVAK-FVQBIDKESA-N 2 3 265.445 1.981 20 0 CDADHP C[C@@H]1C[C@H]([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CCN1 ZINC001246641956 948379068 /nfs/dbraw/zinc/37/90/68/948379068.db2.gz ALSZSOKQPKIVAK-FVQBIDKESA-N 2 3 265.445 1.981 20 0 CDADHP C1NCC12C[C@H]([NH+]1CCC([C@H]3CCCC[NH2+]3)CC1)CCO2 ZINC001246656878 948391839 /nfs/dbraw/zinc/39/18/39/948391839.db2.gz OKUGGVHRQFGUAA-HZPDHXFCSA-N 2 3 293.455 1.362 20 0 CDADHP C[C@@H]1CC([N@H+](C)CCC2CC[NH2+]CC2)C[C@@H](C)N1 ZINC001246796886 948443741 /nfs/dbraw/zinc/44/37/41/948443741.db2.gz NNLHAAIZMVRNNO-CHWSQXEVSA-N 2 3 253.434 1.837 20 0 CDADHP C[C@@H]1CC([N@@H+](C)CCC2CC[NH2+]CC2)C[C@@H](C)N1 ZINC001246796886 948443745 /nfs/dbraw/zinc/44/37/45/948443745.db2.gz NNLHAAIZMVRNNO-CHWSQXEVSA-N 2 3 253.434 1.837 20 0 CDADHP C1C[C@@]2(C[NH2+]1)CCC[C@H](N1C[C@H]3CC[C@@H](C1)[NH2+]C3)C2 ZINC001246869994 948495956 /nfs/dbraw/zinc/49/59/56/948495956.db2.gz XRJQCVULKLIFMR-VGWMRTNUSA-N 2 3 263.429 1.593 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H]1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001550349918 965869182 /nfs/dbraw/zinc/86/91/82/965869182.db2.gz UVSLBUFEFYCMCU-OJLVUWQFSA-N 2 3 281.444 1.060 20 0 CDADHP c1cc(CN2C[C@H]3CC[NH2+]C[C@H]3C2)c2c(c1)C[NH2+]CC2 ZINC001550935016 966292192 /nfs/dbraw/zinc/29/21/92/966292192.db2.gz IORHAGUFOYGXEO-ZBFHGGJFSA-N 2 3 271.408 1.374 20 0 CDADHP C[C@H](NC1CC(C[NH3+])(c2ccccc2)C1)C1C[NH2+]C1 ZINC001550944524 966298149 /nfs/dbraw/zinc/29/81/49/966298149.db2.gz NZLKJWIMTBBWAD-JQRITLKVSA-N 2 3 259.397 1.243 20 0 CDADHP C(C[N@@H+]1CC[C@@]2(C1)CCCNC2)C1CC[NH2+]CC1 ZINC000335002228 539060398 /nfs/dbraw/zinc/06/03/98/539060398.db2.gz WEGOCCCQRMGQJM-HNNXBMFYSA-N 2 3 251.418 1.452 20 0 CDADHP C(C[N@H+]1CC[C@@]2(C1)CCCNC2)C1CC[NH2+]CC1 ZINC000335002228 539060399 /nfs/dbraw/zinc/06/03/99/539060399.db2.gz WEGOCCCQRMGQJM-HNNXBMFYSA-N 2 3 251.418 1.452 20 0 CDADHP C(C[N@@H+]1CC[C@]2(C1)CCCNC2)[C@@H]1CCC[NH2+]C1 ZINC000335005468 539060413 /nfs/dbraw/zinc/06/04/13/539060413.db2.gz BDEUQYVFXLULIW-LSDHHAIUSA-N 2 3 251.418 1.452 20 0 CDADHP C(C[N@H+]1CC[C@]2(C1)CCCNC2)[C@@H]1CCC[NH2+]C1 ZINC000335005468 539060414 /nfs/dbraw/zinc/06/04/14/539060414.db2.gz BDEUQYVFXLULIW-LSDHHAIUSA-N 2 3 251.418 1.452 20 0 CDADHP C[C@@H]1C[NH2+]CC[C@H]1C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000634734144 358073148 /nfs/dbraw/zinc/07/31/48/358073148.db2.gz XXQQSRVQASDQQZ-RDBSUJKOSA-N 2 3 253.434 1.600 20 0 CDADHP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000348188479 359898723 /nfs/dbraw/zinc/89/87/23/359898723.db2.gz LOMHSNJNPJSIRS-DLBZAZTESA-N 2 3 297.487 1.903 20 0 CDADHP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000348188479 359898725 /nfs/dbraw/zinc/89/87/25/359898725.db2.gz LOMHSNJNPJSIRS-DLBZAZTESA-N 2 3 297.487 1.903 20 0 CDADHP CC(C)[C@@H](CN)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000634994628 360621491 /nfs/dbraw/zinc/62/14/91/360621491.db2.gz JIKKZTIYFLGYKS-CABCVRRESA-N 2 3 253.434 1.539 20 0 CDADHP CC(C)[C@@H](C[NH3+])CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000634994628 360621495 /nfs/dbraw/zinc/62/14/95/360621495.db2.gz JIKKZTIYFLGYKS-CABCVRRESA-N 2 3 253.434 1.539 20 0 CDADHP C[N@H+]1CC=C(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000392202375 391373130 /nfs/dbraw/zinc/37/31/30/391373130.db2.gz AAEIVPFPCJEKGX-ARFHVFGLSA-N 2 3 263.429 1.759 20 0 CDADHP C[N@@H+]1CC=C(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000392202375 391373133 /nfs/dbraw/zinc/37/31/33/391373133.db2.gz AAEIVPFPCJEKGX-ARFHVFGLSA-N 2 3 263.429 1.759 20 0 CDADHP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000422859249 286443146 /nfs/dbraw/zinc/44/31/46/286443146.db2.gz HDQNNAVUYZWBOG-ZNMIVQPWSA-N 2 3 271.449 1.450 20 0 CDADHP C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652339987 424260024 /nfs/dbraw/zinc/26/00/24/424260024.db2.gz WSDPVLVOOVFCCK-DOMZBBRYSA-N 2 3 259.397 1.501 20 0 CDADHP C1[C@@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)[C@@H]1C1CC[NH2+]CC1 ZINC000415001129 276853934 /nfs/dbraw/zinc/85/39/34/276853934.db2.gz CBCFBOQYUOOLQP-DRRXZNNHSA-N 2 3 277.456 1.885 20 0 CDADHP C[N@@H+]1CC[C@](O)(CN[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925640661 617584708 /nfs/dbraw/zinc/58/47/08/617584708.db2.gz UDNMNIMXZVSZIQ-HOTGVXAUSA-N 2 3 277.412 1.123 20 0 CDADHP C[N@H+]1CC[C@](O)(CN[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925640661 617584711 /nfs/dbraw/zinc/58/47/11/617584711.db2.gz UDNMNIMXZVSZIQ-HOTGVXAUSA-N 2 3 277.412 1.123 20 0 CDADHP C[C@H]1C[C@@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CCN1 ZINC001246836406 932233524 /nfs/dbraw/zinc/23/35/24/932233524.db2.gz WKJSISKEBMMLEG-AEGPPILISA-N 2 3 251.418 1.591 20 0 CDADHP C[C@H]1C[C@@H](N2CCC([C@H]3CCC[NH2+]3)CC2)CC[NH2+]1 ZINC001246836406 932233529 /nfs/dbraw/zinc/23/35/29/932233529.db2.gz WKJSISKEBMMLEG-AEGPPILISA-N 2 3 251.418 1.591 20 0 CDADHP CC1(C)C[C@@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCN1 ZINC001246934299 932502255 /nfs/dbraw/zinc/50/22/55/932502255.db2.gz UBJHTBFUKUNOPE-MJBXVCDLSA-N 2 3 251.418 1.448 20 0 CDADHP CC1(C)C[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCN1 ZINC001246934299 932502263 /nfs/dbraw/zinc/50/22/63/932502263.db2.gz UBJHTBFUKUNOPE-MJBXVCDLSA-N 2 3 251.418 1.448 20 0 CDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N(C)CC[NH+]1CCCC1 ZINC001160687718 938814640 /nfs/dbraw/zinc/81/46/40/938814640.db2.gz IHZVYTWDUPNQFK-HNNXBMFYSA-N 2 3 298.475 1.036 20 0 CDADHP C[NH+](C)C[C@@]12C[C@@H]1CN(CCC1CC[NH+](C)CC1)C2 ZINC001207487924 940206998 /nfs/dbraw/zinc/20/69/98/940206998.db2.gz YWSJXUXREUDTNZ-HZPDHXFCSA-N 2 3 265.445 1.602 20 0 CDADHP CN(C)C1CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208104991 940289330 /nfs/dbraw/zinc/28/93/30/940289330.db2.gz QFBLHGUJDQYCQK-UHFFFAOYSA-N 2 3 253.434 1.744 20 0 CDADHP CCC[N@H+]1C[C@H]2CN(CC3CC[NH+](CC)CC3)C[C@H]2C1 ZINC001208602359 940347404 /nfs/dbraw/zinc/34/74/04/940347404.db2.gz CXNCCKNTAACGRE-CALCHBBNSA-N 2 3 279.472 1.992 20 0 CDADHP CCC[N@@H+]1C[C@H]2CN(CC3CC[NH+](CC)CC3)C[C@H]2C1 ZINC001208602359 940347406 /nfs/dbraw/zinc/34/74/06/940347406.db2.gz CXNCCKNTAACGRE-CALCHBBNSA-N 2 3 279.472 1.992 20 0 CDADHP CCCN1C[C@@H]2C[N@@H+](CC3CC[NH+](CC)CC3)C[C@@H]2C1 ZINC001208602359 940347409 /nfs/dbraw/zinc/34/74/09/940347409.db2.gz CXNCCKNTAACGRE-CALCHBBNSA-N 2 3 279.472 1.992 20 0 CDADHP CCCN1C[C@@H]2C[N@H+](CC3CC[NH+](CC)CC3)C[C@@H]2C1 ZINC001208602359 940347411 /nfs/dbraw/zinc/34/74/11/940347411.db2.gz CXNCCKNTAACGRE-CALCHBBNSA-N 2 3 279.472 1.992 20 0 CDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NCC[C@@H]1CCC[N@@H+]1C ZINC001220254829 941429553 /nfs/dbraw/zinc/42/95/53/941429553.db2.gz ZCZHFSNHEGMKOG-GJZGRUSLSA-N 2 3 298.475 1.083 20 0 CDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NCC[C@@H]1CCC[N@H+]1C ZINC001220254829 941429555 /nfs/dbraw/zinc/42/95/55/941429555.db2.gz ZCZHFSNHEGMKOG-GJZGRUSLSA-N 2 3 298.475 1.083 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC001246107534 947957770 /nfs/dbraw/zinc/95/77/70/947957770.db2.gz CADHPYMJLCKFFG-MXASKKJJSA-N 2 3 273.424 1.925 20 0 CDADHP C[C@H]1C[C@@H]([NH2+]CC2CC3(C2)CC[NH2+]CC3)CCN1 ZINC001246123712 947971898 /nfs/dbraw/zinc/97/18/98/947971898.db2.gz ARFOGJXFOAVJQW-JSGCOSHPSA-N 2 3 251.418 1.496 20 0 CDADHP c1cc2n(c1)C[C@H](CCN[C@@H]1CCCC[NH2+]C1)C[NH2+]C2 ZINC001246136156 947981046 /nfs/dbraw/zinc/98/10/46/947981046.db2.gz CMBXTFIHPRMXGF-HUUCEWRRSA-N 2 3 276.428 1.329 20 0 CDADHP C[C@@H]1C[C@H](NC[C@H]2CCC3(CC[NH2+]CC3)O2)CC[NH2+]1 ZINC001246138394 947982077 /nfs/dbraw/zinc/98/20/77/947982077.db2.gz ZNZSLDKXXVHFIJ-MGPQQGTHSA-N 2 3 267.417 1.018 20 0 CDADHP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)O2)CCN1 ZINC001246138394 947982089 /nfs/dbraw/zinc/98/20/89/947982089.db2.gz ZNZSLDKXXVHFIJ-MGPQQGTHSA-N 2 3 267.417 1.018 20 0 CDADHP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)C[C@H](C)N1 ZINC001246148020 947989817 /nfs/dbraw/zinc/98/98/17/947989817.db2.gz OPOPEHXFMJUHGE-GEONZQJFSA-N 2 3 265.445 1.741 20 0 CDADHP CN1CCC[C@H]([NH2+][C@@]23CC[C@@]([NH3+])(C2)CCC3)CC1 ZINC001246335694 948115083 /nfs/dbraw/zinc/11/50/83/948115083.db2.gz ZHYUYTUZXFVMSL-ZNMIVQPWSA-N 2 3 251.418 1.864 20 0 CDADHP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](C[NH3+])C2)CCN1 ZINC001246457197 948183121 /nfs/dbraw/zinc/18/31/21/948183121.db2.gz OLGCLWFHSPMUJX-BARDWOONSA-N 2 3 253.434 1.872 20 0 CDADHP CC(C)[NH2+]CCNC1CCC2(CC[NH2+]CC2)CC1 ZINC001246455469 948183270 /nfs/dbraw/zinc/18/32/70/948183270.db2.gz XCNNPZGFLCMSCJ-UHFFFAOYSA-N 2 3 253.434 1.886 20 0 CDADHP CCCC[C@@H]1C[C@@H](N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CC[NH2+]1 ZINC001246629624 948367728 /nfs/dbraw/zinc/36/77/28/948367728.db2.gz GSDKTKMNPWBAPM-WCXIOVBPSA-N 2 3 295.471 1.608 20 0 CDADHP CC[NH+](CC)CCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256674968 948387295 /nfs/dbraw/zinc/38/72/95/948387295.db2.gz AZAYTHMXSFXMRR-UHFFFAOYSA-N 2 3 297.487 1.951 20 0 CDADHP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246945388 948534369 /nfs/dbraw/zinc/53/43/69/948534369.db2.gz ZXHLFWXUZIOCDR-FRXHMLBDSA-N 2 3 263.429 1.591 20 0 CDADHP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246945388 948534376 /nfs/dbraw/zinc/53/43/76/948534376.db2.gz ZXHLFWXUZIOCDR-FRXHMLBDSA-N 2 3 263.429 1.591 20 0 CDADHP CC[NH+](CC)C[C@H](O)CNCC1CC[NH+](C2CCC2)CC1 ZINC001253214297 951813578 /nfs/dbraw/zinc/81/35/78/951813578.db2.gz ZHRHIJCMIMPVHW-QGZVFWFLSA-N 2 3 297.487 1.543 20 0 CDADHP [NH3+][C@@H]1CCCC[C@@H]1NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001553301460 964617470 /nfs/dbraw/zinc/61/74/70/964617470.db2.gz QRGSGRVWEJLECW-MJBXVCDLSA-N 2 3 267.417 1.005 20 0 CDADHP C[C@@H]1C[NH2+]C[C@@H]1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC001550348783 965867537 /nfs/dbraw/zinc/86/75/37/965867537.db2.gz FXZMZUDGHGGSHJ-DTZQCDIJSA-N 2 3 281.444 1.060 20 0 CDADHP C[C@H]1C[C@H]([NH2+]C2CC(C[NH3+])(c3ccccc3)C2)CCN1 ZINC001550944234 966298419 /nfs/dbraw/zinc/29/84/19/966298419.db2.gz LJGYLDMAWBKCMQ-DFULUXCASA-N 2 3 273.424 1.776 20 0 CDADHP C[C@H]1C[C@H](NC2CC(C[NH3+])(c3ccccc3)C2)CC[NH2+]1 ZINC001550944234 966298426 /nfs/dbraw/zinc/29/84/26/966298426.db2.gz LJGYLDMAWBKCMQ-DFULUXCASA-N 2 3 273.424 1.776 20 0 CDADHP C[C@H]1CN(CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000422913793 359671179 /nfs/dbraw/zinc/67/11/79/359671179.db2.gz QTANTSAIFLOJEA-UIJGJVKASA-N 2 3 295.471 1.748 20 0 CDADHP CN(C)CCN1CCC([NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000422962670 359721582 /nfs/dbraw/zinc/72/15/82/359721582.db2.gz GHELYULSABPXLG-UHFFFAOYSA-N 2 3 282.476 1.120 20 0 CDADHP NC[C@H](C[NH+]1CCC(C[NH3+])CC1)c1ccc(F)cc1 ZINC000424273007 359987472 /nfs/dbraw/zinc/98/74/72/359987472.db2.gz RVBPCUPZHYXIFS-CQSZACIVSA-N 2 3 265.376 1.539 20 0 CDADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1cccc(C[NH+](C)C)c1 ZINC000422804654 245277241 /nfs/dbraw/zinc/27/72/41/245277241.db2.gz HZUUXXBNZJPRHU-RRQGHBQHSA-N 2 3 291.439 1.590 20 0 CDADHP CCCC[N@H+](C)CC1CC[NH+](C[C@](C)(O)CNC)CC1 ZINC000577759592 372111994 /nfs/dbraw/zinc/11/19/94/372111994.db2.gz OLXHCSNWTPEJBH-MRXNPFEDSA-N 2 3 285.476 1.401 20 0 CDADHP CCCC[N@@H+](C)CC1CC[NH+](C[C@](C)(O)CNC)CC1 ZINC000577759592 372111997 /nfs/dbraw/zinc/11/19/97/372111997.db2.gz OLXHCSNWTPEJBH-MRXNPFEDSA-N 2 3 285.476 1.401 20 0 CDADHP C[C@H]1C[C@H](CN2CCC([NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000384577386 373179419 /nfs/dbraw/zinc/17/94/19/373179419.db2.gz RYMIVWRTTGDTFB-LSDHHAIUSA-N 2 3 265.445 1.935 20 0 CDADHP C[C@H]1C[C@H](C[NH+]2CCC(N3CCCC3)CC2)CC[NH2+]1 ZINC000384577386 373179429 /nfs/dbraw/zinc/17/94/29/373179429.db2.gz RYMIVWRTTGDTFB-LSDHHAIUSA-N 2 3 265.445 1.935 20 0 CDADHP CN(CC[C@H]1CCC[N@@H+]1C)CCN(C)C1CC[NH+](C)CC1 ZINC000245632597 376123402 /nfs/dbraw/zinc/12/34/02/376123402.db2.gz QNWSUSMICZVRHA-MRXNPFEDSA-N 2 3 296.503 1.429 20 0 CDADHP CN(CC[C@H]1CCC[N@H+]1C)CCN(C)C1CC[NH+](C)CC1 ZINC000245632597 376123405 /nfs/dbraw/zinc/12/34/05/376123405.db2.gz QNWSUSMICZVRHA-MRXNPFEDSA-N 2 3 296.503 1.429 20 0 CDADHP CN(C)CCOc1cnccc1C[NH2+]C1CCC([NH3+])CC1 ZINC000423127297 392365932 /nfs/dbraw/zinc/36/59/32/392365932.db2.gz PFJZIBMQXPMUHW-UHFFFAOYSA-N 2 3 292.427 1.382 20 0 CDADHP C[C@@H]1CCNCC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423164407 392403563 /nfs/dbraw/zinc/40/35/63/392403563.db2.gz OMHJONFYBWXQTO-UKRRQHHQSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@@H]1CCNCC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423164407 392403572 /nfs/dbraw/zinc/40/35/72/392403572.db2.gz OMHJONFYBWXQTO-UKRRQHHQSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423167393 392406536 /nfs/dbraw/zinc/40/65/36/392406536.db2.gz FAVORTUMQOAKAT-KKUMJFAQSA-N 2 3 253.434 1.839 20 0 CDADHP C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423167393 392406541 /nfs/dbraw/zinc/40/65/41/392406541.db2.gz FAVORTUMQOAKAT-KKUMJFAQSA-N 2 3 253.434 1.839 20 0 CDADHP COCC1(C[NH2+]C2CCN(C(C)(C)C)CC2)CC[NH2+]CC1 ZINC000414970385 292245533 /nfs/dbraw/zinc/24/55/33/292245533.db2.gz HOZRIOXJZWIYKL-UHFFFAOYSA-N 2 3 297.487 1.855 20 0 CDADHP c1cc2c(cc1C[NH2+]CC[C@H]1CC[NH2+]C1)CNCC2 ZINC000656785793 413665326 /nfs/dbraw/zinc/66/53/26/413665326.db2.gz JQFPFYMXASSASY-CYBMUJFWSA-N 2 3 259.397 1.422 20 0 CDADHP CC[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000423541611 288072562 /nfs/dbraw/zinc/07/25/62/288072562.db2.gz FQFBJPRRVHXBRP-QRTUWBSPSA-N 2 3 251.418 1.495 20 0 CDADHP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCN1 ZINC000423541611 288072566 /nfs/dbraw/zinc/07/25/66/288072566.db2.gz FQFBJPRRVHXBRP-QRTUWBSPSA-N 2 3 251.418 1.495 20 0 CDADHP CSC1(C[NH2+][C@H]2CCCC[C@H]2CN)CC[NH+](C)CC1 ZINC000423118973 295583255 /nfs/dbraw/zinc/58/32/55/295583255.db2.gz AVVZNVLMOUYDKG-KBPBESRZSA-N 2 3 285.501 1.921 20 0 CDADHP [NH3+][C@@H]1CCC[C@H](CNCc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000577173230 317278128 /nfs/dbraw/zinc/27/81/28/317278128.db2.gz DFUMXQWSXDXNCP-GXTWGEPZSA-N 2 3 292.427 1.749 20 0 CDADHP C[N@H+]1CC=C(CNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)CC1 ZINC000903131958 625858753 /nfs/dbraw/zinc/85/87/53/625858753.db2.gz MEGXDOZZCYNAER-ZXFUBFMLSA-N 2 3 275.440 1.996 20 0 CDADHP C[N@@H+]1CC=C(CNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)CC1 ZINC000903131958 625858756 /nfs/dbraw/zinc/85/87/56/625858756.db2.gz MEGXDOZZCYNAER-ZXFUBFMLSA-N 2 3 275.440 1.996 20 0 CDADHP C[NH+]1CC=C(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903131958 625858760 /nfs/dbraw/zinc/85/87/60/625858760.db2.gz MEGXDOZZCYNAER-ZXFUBFMLSA-N 2 3 275.440 1.996 20 0 CDADHP C[NH+]1CC=C(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903131958 625858762 /nfs/dbraw/zinc/85/87/62/625858762.db2.gz MEGXDOZZCYNAER-ZXFUBFMLSA-N 2 3 275.440 1.996 20 0 CDADHP NCC12CCC(CC1)C[N@@H+]2C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903768766 626085561 /nfs/dbraw/zinc/08/55/61/626085561.db2.gz QIKSNKGALXATMC-CKDBGZEDSA-N 2 3 293.455 1.348 20 0 CDADHP NCC12CCC(CC1)C[N@H+]2C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903768766 626085563 /nfs/dbraw/zinc/08/55/63/626085563.db2.gz QIKSNKGALXATMC-CKDBGZEDSA-N 2 3 293.455 1.348 20 0 CDADHP C[C@]1(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCCNC1 ZINC000904349607 626261016 /nfs/dbraw/zinc/26/10/16/626261016.db2.gz BJIPPERCYPQQEF-PMPSAXMXSA-N 2 3 265.445 1.698 20 0 CDADHP C[C@]1(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCCNC1 ZINC000904349607 626261019 /nfs/dbraw/zinc/26/10/19/626261019.db2.gz BJIPPERCYPQQEF-PMPSAXMXSA-N 2 3 265.445 1.698 20 0 CDADHP