smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)Nc1nc(N2Cc3ccccc3C(C)(C)C2)cc[nH+]1 ZINC000328996730 136377398 /nfs/dbraw/zinc/37/73/98/136377398.db2.gz JMRGXOLBIXAHGQ-UHFFFAOYSA-N 1 1 296.418 3.595 40 0 CHABMO C[NH+](C)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccccc1 ZINC000225108390 189743923 /nfs/dbraw/zinc/74/39/23/189743923.db2.gz IHXHRQXVJDZCCE-OAHLLOKOSA-N 1 1 290.451 3.620 40 0 CHABMO Cc1cc(N(C)C)ncc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072218669 256708179 /nfs/dbraw/zinc/70/81/79/256708179.db2.gz XKSDZYINVYPGIZ-SFHVURJKSA-N 1 1 295.430 3.793 40 0 CHABMO C(OC1CCCCC1)[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000005382501 170092317 /nfs/dbraw/zinc/09/23/17/170092317.db2.gz DBTLXFQLEFJHCH-GOEBONIOSA-N 1 1 251.414 3.600 40 0 biogenic,in-vitro CHABMO C[N@H+]1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072348570 176373437 /nfs/dbraw/zinc/37/34/37/176373437.db2.gz AVNFRMNLXUIGIJ-OAHLLOKOSA-N 1 1 284.378 3.621 40 0 CHABMO Cc1cccc(Cc2cccc([C@H]3CCC[N@H+](C)C3)n2)c1 ZINC000072348568 176373595 /nfs/dbraw/zinc/37/35/95/176373595.db2.gz ADWGYSTZYWEQKD-KRWDZBQOSA-N 1 1 280.415 3.790 40 0 CHABMO Cc1cc(C(C)(C)C)c(O)c(C)c1Cc1[nH]cc[nH+]1 ZINC000077286648 177249303 /nfs/dbraw/zinc/24/93/03/177249303.db2.gz KDWBYTYXTYYVEX-UHFFFAOYSA-N 1 1 258.365 3.620 40 0 in-vitro CHABMO CC(C)(C)[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000014982350 567869990 /nfs/dbraw/zinc/86/99/90/567869990.db2.gz VVQFKBSPDUDXMN-CYBMUJFWSA-N 1 1 287.325 3.877 40 0 CHABMO COc1cc2cccnc2c(NCC[C@H]2CCCC[N@H+]2C)c1 ZINC000001596770 567839057 /nfs/dbraw/zinc/83/90/57/567839057.db2.gz GCFJQTXRAZEHFB-OAHLLOKOSA-N 1 1 299.418 3.530 40 0 CHABMO CC(C)(C)[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000014982352 567869858 /nfs/dbraw/zinc/86/98/58/567869858.db2.gz VVQFKBSPDUDXMN-ZDUSSCGKSA-N 1 1 287.325 3.877 40 0 CHABMO Cn1ccc([C@@H]2CCCCC[N@@H+]2Cc2ccccc2F)n1 ZINC000019291091 567877132 /nfs/dbraw/zinc/87/71/32/567877132.db2.gz VQVKFFMMFXKUPK-KRWDZBQOSA-N 1 1 287.382 3.677 40 0 CHABMO Cn1ccc([C@@H]2CCCCC[N@H+]2Cc2ccccc2F)n1 ZINC000019291091 567877134 /nfs/dbraw/zinc/87/71/34/567877134.db2.gz VQVKFFMMFXKUPK-KRWDZBQOSA-N 1 1 287.382 3.677 40 0 CHABMO C[N@H+](Cc1ccccc1)C[C@H](O)c1ccccc1Cl ZINC000031912059 567885448 /nfs/dbraw/zinc/88/54/48/567885448.db2.gz YZHZTOJXJQQTES-INIZCTEOSA-N 1 1 275.779 3.505 40 0 CHABMO CCOc1ccc([C@@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072211801 567917451 /nfs/dbraw/zinc/91/74/51/567917451.db2.gz IBZRYTVPMNLIRI-HNNXBMFYSA-N 1 1 262.397 3.663 40 0 CHABMO CC(C)[N@@H+]1CCCC[C@@H]1c1cccnc1Br ZINC000072211629 567917699 /nfs/dbraw/zinc/91/76/99/567917699.db2.gz UGBXUCSCONXPFB-GFCCVEGCSA-N 1 1 283.213 3.780 40 0 CHABMO CC(C)[N@H+]1CCCC[C@@H]1c1cccnc1Br ZINC000072211629 567917700 /nfs/dbraw/zinc/91/77/00/567917700.db2.gz UGBXUCSCONXPFB-GFCCVEGCSA-N 1 1 283.213 3.780 40 0 CHABMO CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1Cl ZINC000072211520 567917901 /nfs/dbraw/zinc/91/79/01/567917901.db2.gz JKMUYIKSQWZHRV-ZDUSSCGKSA-N 1 1 252.789 3.918 40 0 CHABMO CCN(CC)c1ccc([C@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072212857 567918507 /nfs/dbraw/zinc/91/85/07/567918507.db2.gz QTLWPMIWGWHSRB-MRXNPFEDSA-N 1 1 275.440 3.863 40 0 CHABMO CCCC[N@H+]1CCC[C@H]1c1ccc(N(CC)CC)nc1 ZINC000072212842 567918663 /nfs/dbraw/zinc/91/86/63/567918663.db2.gz AOEWPWMXPAHFFG-INIZCTEOSA-N 1 1 275.440 3.865 40 0 CHABMO C[N@H+]1CCCC[C@H]1c1cccnc1NC1CCCCC1 ZINC000072214033 567919973 /nfs/dbraw/zinc/91/99/73/567919973.db2.gz IPXXQBCSVKDNDW-INIZCTEOSA-N 1 1 273.424 3.983 40 0 CHABMO CC[N@H+]1CCCC[C@H]1c1cccnc1N1CCCCC1 ZINC000072216119 567920111 /nfs/dbraw/zinc/92/01/11/567920111.db2.gz LWUATPGLNROSFR-INIZCTEOSA-N 1 1 273.424 3.619 40 0 CHABMO CC[N@H+]1CCCC[C@@H]1c1cccnc1N1CCCCC1 ZINC000072216118 567920215 /nfs/dbraw/zinc/92/02/15/567920215.db2.gz LWUATPGLNROSFR-MRXNPFEDSA-N 1 1 273.424 3.619 40 0 CHABMO CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1N1CCCC1 ZINC000072216005 567920700 /nfs/dbraw/zinc/92/07/00/567920700.db2.gz SGBPCIWUUUYJDB-KRWDZBQOSA-N 1 1 287.451 3.865 40 0 CHABMO Cc1cc([C@H]2CCCC[N@@H+]2CC(C)C)c[nH]c1=S ZINC000072218283 567921089 /nfs/dbraw/zinc/92/10/89/567921089.db2.gz CMWQRSIEFRGMAU-CQSZACIVSA-N 1 1 264.438 3.862 40 0 CHABMO CCC[N@H+]1CCC[C@H]1c1ccc(N2CCCCC2)nc1C ZINC000072219282 567921635 /nfs/dbraw/zinc/92/16/35/567921635.db2.gz IOJSXICHYZJXEK-KRWDZBQOSA-N 1 1 287.451 3.927 40 0 CHABMO CNc1ccc([C@@H]2CCCC[N@H+]2CC(C)C)c(C)n1 ZINC000072219122 567921687 /nfs/dbraw/zinc/92/16/87/567921687.db2.gz ZYHWPTSKSAAZQI-HNNXBMFYSA-N 1 1 261.413 3.615 40 0 CHABMO Cc1cc([C@H]2CCCC[N@@H+]2CC(C)C)cnc1N(C)C ZINC000072218643 567921793 /nfs/dbraw/zinc/92/17/93/567921793.db2.gz RACIHGSSNZCVDY-MRXNPFEDSA-N 1 1 275.440 3.639 40 0 CHABMO CNc1ncc([C@H]2CCC[N@H+]2Cc2ccccc2)cc1C ZINC000072218970 567921824 /nfs/dbraw/zinc/92/18/24/567921824.db2.gz WDQOWOMHHOMROT-QGZVFWFLSA-N 1 1 281.403 3.769 40 0 CHABMO COc1ccc(OC)c([C@H]2CCCC[N@H+]2CC(C)C)c1 ZINC000072221887 567922259 /nfs/dbraw/zinc/92/22/59/567922259.db2.gz TVEOYQPSTBZMKH-MRXNPFEDSA-N 1 1 277.408 3.887 40 0 CHABMO C=Cc1c[nH+]c(N2CCc3ccccc3C2)cc1C ZINC000072223901 567922588 /nfs/dbraw/zinc/92/25/88/567922588.db2.gz WVQWATZVVWDBBY-UHFFFAOYSA-N 1 1 250.345 3.596 40 0 CHABMO c1csc(C[NH2+]Cc2csc(C3CCC3)n2)c1 ZINC000095093914 567940163 /nfs/dbraw/zinc/94/01/63/567940163.db2.gz QEZVVUPQRCMSSM-UHFFFAOYSA-N 1 1 264.419 3.762 40 0 CHABMO CN(C)CC[N@H+](Cc1cccs1)CC1CCCCC1 ZINC000023247829 567948564 /nfs/dbraw/zinc/94/85/64/567948564.db2.gz JISNGZNFKQLDBM-UHFFFAOYSA-N 1 1 280.481 3.692 40 0 CHABMO C[NH+](C)CCN(Cc1cccs1)CC1CCCCC1 ZINC000023247829 567948565 /nfs/dbraw/zinc/94/85/65/567948565.db2.gz JISNGZNFKQLDBM-UHFFFAOYSA-N 1 1 280.481 3.692 40 0 CHABMO Cc1ccsc1C[N@@H+](CCCO)CC1CCCCC1 ZINC000013997277 570285283 /nfs/dbraw/zinc/28/52/83/570285283.db2.gz NSGKLSZBSZFFHJ-UHFFFAOYSA-N 1 1 281.465 3.821 40 0 CHABMO CO[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)[C@H]1Cc1ccccc1 ZINC000096061575 185083326 /nfs/dbraw/zinc/08/33/26/185083326.db2.gz FJTLIFLOSNWIBO-RBUKOAKNSA-N 1 1 299.389 3.658 40 0 CHABMO c1cn2cnc([C@H]3CC[N@H+](C4CCCCC4)C3)c2s1 ZINC000257241830 190018210 /nfs/dbraw/zinc/01/82/10/190018210.db2.gz HZTZCLGJXJJGNA-LBPRGKRZSA-N 1 1 275.421 3.518 40 0 CHABMO CNc1cc([C@@H]2CCC[N@H+]2Cc2ccsc2)ccn1 ZINC000257253149 190021098 /nfs/dbraw/zinc/02/10/98/190021098.db2.gz JXTUTLFCFLPFEM-AWEZNQCLSA-N 1 1 273.405 3.522 40 0 CHABMO c1cc([C@H]2CCCC[N@H+]2Cc2ccc3ncccc3c2)n[nH]1 ZINC000257262184 190022683 /nfs/dbraw/zinc/02/26/83/190022683.db2.gz LKLVBKOEFXKMHG-GOSISDBHSA-N 1 1 292.386 3.685 40 0 CHABMO c1cc([C@H]2CCCC[N@@H+]2Cc2ccc3ncccc3c2)n[nH]1 ZINC000257262184 190022684 /nfs/dbraw/zinc/02/26/84/190022684.db2.gz LKLVBKOEFXKMHG-GOSISDBHSA-N 1 1 292.386 3.685 40 0 CHABMO C[N@@H+]1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257276342 190024398 /nfs/dbraw/zinc/02/43/98/190024398.db2.gz NTGVYOVBMCDWFQ-CQSZACIVSA-N 1 1 276.767 3.686 40 0 CHABMO C[N@H+]1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257276342 190024399 /nfs/dbraw/zinc/02/43/99/190024399.db2.gz NTGVYOVBMCDWFQ-CQSZACIVSA-N 1 1 276.767 3.686 40 0 CHABMO CC(C)[N@H+]1CCC[C@H](c2ccc(-c3nccs3)cn2)C1 ZINC000257294529 190028232 /nfs/dbraw/zinc/02/82/32/190028232.db2.gz QUOZVFJKXMSBPA-AWEZNQCLSA-N 1 1 287.432 3.793 40 0 CHABMO CC(C)[N@H+]1CCCC[C@H]1c1ccc(NC2CCC2)nc1 ZINC000072213859 256712953 /nfs/dbraw/zinc/71/29/53/256712953.db2.gz YCIFGKQBDORCGC-INIZCTEOSA-N 1 1 273.424 3.981 40 0 CHABMO CCCNc1ncccc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072213137 256714203 /nfs/dbraw/zinc/71/42/03/256714203.db2.gz DLTCATKIGLNMNP-HNNXBMFYSA-N 1 1 261.413 3.696 40 0 CHABMO Cc1ccc2ccccc2c1NC(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000004903223 170038960 /nfs/dbraw/zinc/03/89/60/170038960.db2.gz OPROEDYFLGAFMN-CQSZACIVSA-N 1 1 296.414 3.819 40 0 CHABMO COc1ccc(-c2cccc([C@@H]3CCC[N@@H+](C)C3)n2)cc1 ZINC000072348560 176373541 /nfs/dbraw/zinc/37/35/41/176373541.db2.gz AWEYGYLEOJNSNG-OAHLLOKOSA-N 1 1 282.387 3.566 40 0 CHABMO c1cn(-c2cccc([C@H]3CCC[N@H+]3C3CCCCC3)n2)cn1 ZINC000072378719 176385500 /nfs/dbraw/zinc/38/55/00/176385500.db2.gz YAYSPXXMOLNEMO-QGZVFWFLSA-N 1 1 296.418 3.737 40 0 CHABMO Cc1ccc(-c2nnc([C@H]3CC[N@@H+](CC(C)(C)C)C3)o2)cc1 ZINC000049169939 560084672 /nfs/dbraw/zinc/08/46/72/560084672.db2.gz HWOLSGSBGZBHAM-HNNXBMFYSA-N 1 1 299.418 3.880 40 0 biogenic,in-vitro CHABMO CCC[N@H+]1CCC[C@@H]1c1ccc(N[C@H](C)CC)nc1 ZINC000108368627 567103814 /nfs/dbraw/zinc/10/38/14/567103814.db2.gz FIZLAPMVBYATNF-UKRRQHHQSA-N 1 1 261.413 3.839 40 0 CHABMO CCc1ccc(C[NH2+]Cc2csc(C3CC3)n2)cc1 ZINC000069877388 567116429 /nfs/dbraw/zinc/11/64/29/567116429.db2.gz ZVPGIFXFOXMXEJ-UHFFFAOYSA-N 1 1 272.417 3.873 40 0 CHABMO C[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000014193760 567868798 /nfs/dbraw/zinc/86/87/98/567868798.db2.gz WBAUQFATUPQGAL-LLVKDONJSA-N 1 1 268.198 3.681 40 0 CHABMO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2cccc(C)n2)no1 ZINC000019236255 567877303 /nfs/dbraw/zinc/87/73/03/567877303.db2.gz HKJKFOUCUSUDMD-KRWDZBQOSA-N 1 1 285.391 3.804 40 0 CHABMO Cc1cc([C@@H]2CCCCC[N@H+]2Cc2cccc(C)n2)no1 ZINC000019236255 567877304 /nfs/dbraw/zinc/87/73/04/567877304.db2.gz HKJKFOUCUSUDMD-KRWDZBQOSA-N 1 1 285.391 3.804 40 0 CHABMO Cn1ccc([C@H]2CCCCC[N@@H+]2Cc2ccccc2F)n1 ZINC000019291092 567877562 /nfs/dbraw/zinc/87/75/62/567877562.db2.gz VQVKFFMMFXKUPK-QGZVFWFLSA-N 1 1 287.382 3.677 40 0 CHABMO Cn1ccc([C@H]2CCCCC[N@H+]2Cc2ccccc2F)n1 ZINC000019291092 567877564 /nfs/dbraw/zinc/87/75/64/567877564.db2.gz VQVKFFMMFXKUPK-QGZVFWFLSA-N 1 1 287.382 3.677 40 0 CHABMO Cc1ncc([C@@H]2CCC[N@@H+]2C)c2c3ccccc3[nH]c21 ZINC000000047467 567905688 /nfs/dbraw/zinc/90/56/88/567905688.db2.gz DIZAFWUMCZPYGF-HNNXBMFYSA-N 1 1 265.360 3.791 40 0 biogenic,in-vitro CHABMO COc1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072211745 567917623 /nfs/dbraw/zinc/91/76/23/567917623.db2.gz ONPZDPJXCPXYMO-KRWDZBQOSA-N 1 1 282.387 3.817 40 0 CHABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(OCC)nc1 ZINC000072211803 567917708 /nfs/dbraw/zinc/91/77/08/567917708.db2.gz YDCHWPGNUJLEBB-OAHLLOKOSA-N 1 1 262.397 3.807 40 0 CHABMO CCN(C)c1ncccc1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072212798 567918004 /nfs/dbraw/zinc/91/80/04/567918004.db2.gz UIZGWMKTAPBOJW-INIZCTEOSA-N 1 1 275.440 3.721 40 0 CHABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1N(C)CC ZINC000072212801 567918108 /nfs/dbraw/zinc/91/81/08/567918108.db2.gz HBOBUTOYRPXWQG-INIZCTEOSA-N 1 1 275.440 3.865 40 0 CHABMO CCNc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072213063 567918276 /nfs/dbraw/zinc/91/82/76/567918276.db2.gz WGKHQEBYJKKLFC-KRWDZBQOSA-N 1 1 281.403 3.851 40 0 CHABMO CC(C)N(c1ncccc1[C@@H]1CCCC[N@H+]1C)C(C)C ZINC000072213030 567918287 /nfs/dbraw/zinc/91/82/87/567918287.db2.gz YMWDGNHZDNMBEL-INIZCTEOSA-N 1 1 275.440 3.862 40 0 CHABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1OC(C)C ZINC000072211978 567918400 /nfs/dbraw/zinc/91/84/00/567918400.db2.gz XBPAHAWJYVGVIN-HNNXBMFYSA-N 1 1 262.397 3.806 40 0 CHABMO CC(C)CNc1ccc([C@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072213314 567918808 /nfs/dbraw/zinc/91/88/08/567918808.db2.gz DWVMLWIUNZSFFZ-OAHLLOKOSA-N 1 1 261.413 3.695 40 0 CHABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1NC1CC1 ZINC000072213740 567918891 /nfs/dbraw/zinc/91/88/91/567918891.db2.gz GXWHTQNJNZIEAW-MRXNPFEDSA-N 1 1 273.424 3.839 40 0 CHABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(NC2CC2)nc1 ZINC000072213800 567918897 /nfs/dbraw/zinc/91/88/97/567918897.db2.gz WQVMPVZAJJTJEW-MRXNPFEDSA-N 1 1 273.424 3.839 40 0 CHABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1NC1CC1 ZINC000072213743 567919171 /nfs/dbraw/zinc/91/91/71/567919171.db2.gz SAGIRACAGZQNDB-INIZCTEOSA-N 1 1 273.424 3.983 40 0 CHABMO CC[C@@H](C)Nc1ncccc1[C@H]1CCCC[N@H+]1CC ZINC000072213423 567919183 /nfs/dbraw/zinc/91/91/83/567919183.db2.gz XBZOOGRKJNEXNL-UKRRQHHQSA-N 1 1 261.413 3.839 40 0 CHABMO CCC[N@H+]1CCCC[C@H]1c1ccc(NC2CC2)nc1 ZINC000072213797 567919220 /nfs/dbraw/zinc/91/92/20/567919220.db2.gz IIJCTIFSMHHDPY-HNNXBMFYSA-N 1 1 259.397 3.593 40 0 CHABMO C[N@H+]1CCCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214392 567919452 /nfs/dbraw/zinc/91/94/52/567919452.db2.gz GICYPCORBSSIND-ZDUSSCGKSA-N 1 1 291.395 3.585 40 0 CHABMO CC[N@H+]1CCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216694 567920286 /nfs/dbraw/zinc/92/02/86/567920286.db2.gz AGPVEGNGTKERKU-INIZCTEOSA-N 1 1 273.424 3.619 40 0 CHABMO C[N@H+]1CCCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216717 567920492 /nfs/dbraw/zinc/92/04/92/567920492.db2.gz NFNINGTYYYOWGT-INIZCTEOSA-N 1 1 273.424 3.619 40 0 CHABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc(N2CCCC2)nc1 ZINC000072215945 567920581 /nfs/dbraw/zinc/92/05/81/567920581.db2.gz PJJYMBMZBDOSSN-KRWDZBQOSA-N 1 1 287.451 3.865 40 0 CHABMO CCC[N@H+]1CCC[C@@H]1c1cccnc1N1CCCCC1 ZINC000072216103 567920799 /nfs/dbraw/zinc/92/07/99/567920799.db2.gz IGGSKFWJCFUHCB-MRXNPFEDSA-N 1 1 273.424 3.619 40 0 CHABMO Cc1cc(=S)[nH]cc1[C@H]1CCCC[N@@H+]1C(C)C ZINC000072218341 567921289 /nfs/dbraw/zinc/92/12/89/567921289.db2.gz KHBBNNUVICZPPS-CYBMUJFWSA-N 1 1 250.411 3.614 40 0 CHABMO CSc1ncccc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072216963 567921379 /nfs/dbraw/zinc/92/13/79/567921379.db2.gz IKXRTGUYNPYBCK-CQSZACIVSA-N 1 1 264.438 3.987 40 0 CHABMO CC[N@H+]1CCC[C@H]1c1cnc(N2CCCCC2)c(C)c1 ZINC000072219152 567921691 /nfs/dbraw/zinc/92/16/91/567921691.db2.gz DQUPOMYJQNNXPT-INIZCTEOSA-N 1 1 273.424 3.537 40 0 CHABMO Cc1cc(N2CCCC2)ncc1[C@H]1CCC[N@@H+]1CC(C)C ZINC000072218864 567921829 /nfs/dbraw/zinc/92/18/29/567921829.db2.gz ZNMFYJYTCDZHIA-QGZVFWFLSA-N 1 1 287.451 3.783 40 0 CHABMO CCC[N@H+]1CCC[C@H]1c1cnc(N2CCCC2)c(C)c1 ZINC000072218802 567921831 /nfs/dbraw/zinc/92/18/31/567921831.db2.gz MZCXUCMLZYRULS-INIZCTEOSA-N 1 1 273.424 3.537 40 0 CHABMO CC(C)CC[N@H+]1C[C@@H](C)[C@](O)(c2ccccc2)C[C@@H]1C ZINC000003901498 567945793 /nfs/dbraw/zinc/94/57/93/567945793.db2.gz NRNKPUIJZXENIG-RYRKJORJSA-N 1 1 275.436 3.651 40 0 CHABMO C[C@H]1CCCC[N@H+]1CCCCOc1ccc(C=O)cc1 ZINC000206991503 567946515 /nfs/dbraw/zinc/94/65/15/567946515.db2.gz CPBFCBUKTPVXSC-HNNXBMFYSA-N 1 1 275.392 3.533 40 0 CHABMO CC[NH+](CC)CCN[C@H](Cc1ccccc1)c1ccccc1 ZINC000022863729 567948466 /nfs/dbraw/zinc/94/84/66/567948466.db2.gz JEORTHKQPXKVMO-HXUWFJFHSA-N 1 1 296.458 3.902 40 0 CHABMO COc1ccc2[nH]c3c(c2c1)c(C)c1c(c3C)CC[N@H+](C)C1 ZINC000001662324 570383717 /nfs/dbraw/zinc/38/37/17/570383717.db2.gz CBTLFIIMNHKZFR-UHFFFAOYSA-N 1 1 294.398 3.934 40 0 CHABMO Cc1ccc(C[N@H+](CCN(C)C)Cc2ccccc2)cc1 ZINC000199425237 1122648813 /nfs/dbraw/zinc/64/88/13/1122648813.db2.gz FAKZYZYSFVGBEY-UHFFFAOYSA-N 1 1 282.431 3.559 40 0 CHABMO Cc1ccc(C[N@@H+](CCN(C)C)Cc2ccccc2)cc1 ZINC000199425237 1122648815 /nfs/dbraw/zinc/64/88/15/1122648815.db2.gz FAKZYZYSFVGBEY-UHFFFAOYSA-N 1 1 282.431 3.559 40 0 CHABMO CO[C@@H]1CC[N@@H+](Cc2cccs2)[C@H]1Cc1ccccc1 ZINC000096061571 185082352 /nfs/dbraw/zinc/08/23/52/185082352.db2.gz GZVVBEQDYOMKKM-DLBZAZTESA-N 1 1 287.428 3.580 40 0 CHABMO C[NH2+]CCCNc1cc(C)nc2c(C)cc(Cl)cc12 ZINC000222688619 529971561 /nfs/dbraw/zinc/97/15/61/529971561.db2.gz OGYFJAFYPUFRHV-UHFFFAOYSA-N 1 1 277.799 3.526 40 0 CHABMO Cc1cc(C[NH2+]Cc2ccc(F)s2)n(C2CCCC2)n1 ZINC000256051080 190003864 /nfs/dbraw/zinc/00/38/64/190003864.db2.gz HQDOGPSBLQKGHS-UHFFFAOYSA-N 1 1 293.411 3.797 40 0 CHABMO C[N@@H+]1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257276341 190025019 /nfs/dbraw/zinc/02/50/19/190025019.db2.gz NTGVYOVBMCDWFQ-AWEZNQCLSA-N 1 1 276.767 3.686 40 0 CHABMO C[N@H+]1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257276341 190025020 /nfs/dbraw/zinc/02/50/20/190025020.db2.gz NTGVYOVBMCDWFQ-AWEZNQCLSA-N 1 1 276.767 3.686 40 0 CHABMO Cc1cc(N2CCCCC2)ncc1[C@H]1CCCC[N@@H+]1C ZINC000072219235 256707744 /nfs/dbraw/zinc/70/77/44/256707744.db2.gz QAIJQHZQPHXPMR-MRXNPFEDSA-N 1 1 273.424 3.537 40 0 CHABMO FC(F)(F)c1cccc(-c2cn[nH]c2[C@H]2CCC[NH2+]2)c1 ZINC000072379961 176387131 /nfs/dbraw/zinc/38/71/31/176387131.db2.gz QBSDTTBSPJPACQ-GFCCVEGCSA-N 1 1 281.281 3.520 40 0 CHABMO Cc1nccc([C@H]2CCCC[N@H+]2Cc2ccccc2)n1 ZINC000072379992 176387164 /nfs/dbraw/zinc/38/71/64/176387164.db2.gz LXPAICJYVKKCAB-QGZVFWFLSA-N 1 1 267.376 3.512 40 0 CHABMO CC[NH+](CC)CCNCc1ccc(-c2ccccc2)cc1 ZINC000021801415 262342433 /nfs/dbraw/zinc/34/24/33/262342433.db2.gz WCNVREMNYPEYSX-UHFFFAOYSA-N 1 1 282.431 3.785 40 0 CHABMO C[C@@H]1C[C@H](C)C[N@H+](CCCCOc2ccccc2C=O)C1 ZINC000217796519 533797075 /nfs/dbraw/zinc/79/70/75/533797075.db2.gz CEXLILJLAPBTAC-IYBDPMFKSA-N 1 1 289.419 3.636 40 0 CHABMO CCC[N@H+]1CCCC[C@H]1c1ccc(OC(C)C)nc1 ZINC000072211918 567917645 /nfs/dbraw/zinc/91/76/45/567917645.db2.gz FAXOELMBIDKOOE-HNNXBMFYSA-N 1 1 262.397 3.806 40 0 CHABMO CCC[N@H+]1CCC[C@H]1c1ccc(NCC(C)C)nc1 ZINC000072213316 567919225 /nfs/dbraw/zinc/91/92/25/567919225.db2.gz UIHGGULBFVLOJS-HNNXBMFYSA-N 1 1 261.413 3.696 40 0 CHABMO Cc1ccc([C@@H](C)[N@@H+](C)Cc2ccccc2)cc1N ZINC000218282668 566841339 /nfs/dbraw/zinc/84/13/39/566841339.db2.gz SAWXNWQDVIAHPH-CQSZACIVSA-N 1 1 254.377 3.770 40 0 CHABMO COc1ccc2ccccc2c1[C@H](CN)[NH+]1CCC(C)CC1 ZINC000032073465 567045090 /nfs/dbraw/zinc/04/50/90/567045090.db2.gz RCMQLXXIWTVYLE-KRWDZBQOSA-N 1 1 298.430 3.580 40 0 CHABMO O=C1CCC[C@H]1[C@@H]1CCCCC[N@H+]1Cc1ccccc1 ZINC000217464498 567170457 /nfs/dbraw/zinc/17/04/57/567170457.db2.gz OMWBVERYXPTJQI-IRXDYDNUSA-N 1 1 271.404 3.800 40 0 CHABMO C[N@H+]1[C@@H](c2ccccc2)CC(C)(O)C[C@H]1c1ccccc1 ZINC000000208435 567822044 /nfs/dbraw/zinc/82/20/44/567822044.db2.gz YKVNCLSIBPRPTL-DFNIBXOVSA-N 1 1 281.399 3.946 40 0 CHABMO C[N@H+]1CC[C@@H](C(c2ccccc2)c2ccccc2)C1 ZINC000001569003 567838069 /nfs/dbraw/zinc/83/80/69/567838069.db2.gz RAMVHYAPKXXGBL-QGZVFWFLSA-N 1 1 251.373 3.770 40 0 CHABMO CC(C)[N@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000031938483 567860548 /nfs/dbraw/zinc/86/05/48/567860548.db2.gz JTNBVNQXAVLMMC-GOSISDBHSA-N 1 1 269.388 3.631 40 0 CHABMO C[C@@H]1CCCC[N@H+]1Cc1cccc(Br)c1 ZINC000014193892 567868756 /nfs/dbraw/zinc/86/87/56/567868756.db2.gz UHXYFARSBSNTGR-LLVKDONJSA-N 1 1 268.198 3.824 40 0 CHABMO Cn1ccc([C@H]2CCCCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000019291074 567877252 /nfs/dbraw/zinc/87/72/52/567877252.db2.gz ZYUZDVUVYWQOTJ-QGZVFWFLSA-N 1 1 287.382 3.677 40 0 CHABMO Cn1ccc([C@H]2CCCCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000019291074 567877253 /nfs/dbraw/zinc/87/72/53/567877253.db2.gz ZYUZDVUVYWQOTJ-QGZVFWFLSA-N 1 1 287.382 3.677 40 0 CHABMO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2cccc(C)n2)no1 ZINC000019236254 567877418 /nfs/dbraw/zinc/87/74/18/567877418.db2.gz HKJKFOUCUSUDMD-QGZVFWFLSA-N 1 1 285.391 3.804 40 0 CHABMO Cc1cc([C@H]2CCCCC[N@H+]2Cc2cccc(C)n2)no1 ZINC000019236254 567877419 /nfs/dbraw/zinc/87/74/19/567877419.db2.gz HKJKFOUCUSUDMD-QGZVFWFLSA-N 1 1 285.391 3.804 40 0 CHABMO CC(C)C[N@H+]1CCC[C@]2(CCN(Cc3ccsc3)C2)C1 ZINC000096215263 567910085 /nfs/dbraw/zinc/91/00/85/567910085.db2.gz DTEUEBSEHFELKS-KRWDZBQOSA-N 1 1 292.492 3.692 40 0 CHABMO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072211068 567917612 /nfs/dbraw/zinc/91/76/12/567917612.db2.gz POHOSRLWZRWRET-QGZVFWFLSA-N 1 1 252.361 3.727 40 0 CHABMO Cc1ccncc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072211387 567917930 /nfs/dbraw/zinc/91/79/30/567917930.db2.gz SLWSFWBQMBDCQU-KRWDZBQOSA-N 1 1 252.361 3.727 40 0 CHABMO CCCNc1ccc([C@@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072213197 567918246 /nfs/dbraw/zinc/91/82/46/567918246.db2.gz FTILUARQIYMTLT-HNNXBMFYSA-N 1 1 261.413 3.696 40 0 CHABMO O=c1[nH]cccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072212332 567918251 /nfs/dbraw/zinc/91/82/51/567918251.db2.gz ZRJGWUOQUBUWBO-MRXNPFEDSA-N 1 1 268.360 3.514 40 0 CHABMO CCCNc1ccc([C@@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072213214 567918301 /nfs/dbraw/zinc/91/83/01/567918301.db2.gz BIYOHDXNXRKWML-HNNXBMFYSA-N 1 1 261.413 3.839 40 0 CHABMO CCC[N@H+]1CCC[C@@H]1c1cccnc1NCC(C)C ZINC000072213255 567918362 /nfs/dbraw/zinc/91/83/62/567918362.db2.gz RQCYYUSWBMBGSB-OAHLLOKOSA-N 1 1 261.413 3.696 40 0 CHABMO CCC[N@H+]1CCCC[C@H]1c1ccc(N(CC)CC)nc1 ZINC000072212855 567918480 /nfs/dbraw/zinc/91/84/80/567918480.db2.gz AWYCWRQBRWEDHG-INIZCTEOSA-N 1 1 275.440 3.865 40 0 CHABMO CCN(C)c1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072212705 567918660 /nfs/dbraw/zinc/91/86/60/567918660.db2.gz DSSJXQPTAVBGID-SFHVURJKSA-N 1 1 295.430 3.875 40 0 CHABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1NC1CC1 ZINC000072213736 567919255 /nfs/dbraw/zinc/91/92/55/567919255.db2.gz WXOVPOGHKWDDNV-OAHLLOKOSA-N 1 1 259.397 3.593 40 0 CHABMO CCCCNc1ncccc1[C@H]1CCC[N@H+]1C(C)C ZINC000072213598 567919259 /nfs/dbraw/zinc/91/92/59/567919259.db2.gz QUBWBFPNQFCHPG-OAHLLOKOSA-N 1 1 261.413 3.839 40 0 CHABMO CCCCNc1ncccc1[C@H]1CCC[N@H+]1CCC ZINC000072213600 567919327 /nfs/dbraw/zinc/91/93/27/567919327.db2.gz KFHDIJORTGABBT-OAHLLOKOSA-N 1 1 261.413 3.841 40 0 CHABMO C[N@H+]1CCCC[C@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213973 567919345 /nfs/dbraw/zinc/91/93/45/567919345.db2.gz VXPHLIDMTIWLBX-HNNXBMFYSA-N 1 1 259.397 3.593 40 0 CHABMO CC[N@H+]1CCC[C@@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214069 567919649 /nfs/dbraw/zinc/91/96/49/567919649.db2.gz LZNMMZXZLYHCQA-MRXNPFEDSA-N 1 1 267.376 3.982 40 0 CHABMO C[N@H+]1CCC[C@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214064 567919698 /nfs/dbraw/zinc/91/96/98/567919698.db2.gz XIIKQNIHMBFIOB-HNNXBMFYSA-N 1 1 253.349 3.592 40 0 CHABMO CN(c1ccccc1)c1ncccc1[C@H]1CCC[N@H+]1C ZINC000072214243 567919846 /nfs/dbraw/zinc/91/98/46/567919846.db2.gz VXEMHZBBJRHJPE-MRXNPFEDSA-N 1 1 267.376 3.616 40 0 CHABMO CC[N@H+]1CCC[C@@H]1c1cccnc1Nc1ccccc1 ZINC000072214129 567920040 /nfs/dbraw/zinc/92/00/40/567920040.db2.gz JLGZLQINNHAURH-MRXNPFEDSA-N 1 1 267.376 3.982 40 0 CHABMO CCCC[N@H+]1CCC[C@H]1c1cnc(Cl)cc1C ZINC000072217846 567920151 /nfs/dbraw/zinc/92/01/51/567920151.db2.gz XLJFJBKWYUYPCV-ZDUSSCGKSA-N 1 1 252.789 3.980 40 0 CHABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1N1CCCC1 ZINC000072215987 567920230 /nfs/dbraw/zinc/92/02/30/567920230.db2.gz ASMHQXCDBNWZIE-MRXNPFEDSA-N 1 1 273.424 3.619 40 0 CHABMO CC(C)[N@H+]1CCC[C@@H]1c1cccnc1N1CCCCC1 ZINC000072216101 567920385 /nfs/dbraw/zinc/92/03/85/567920385.db2.gz RNPBKBCUWLXFSK-MRXNPFEDSA-N 1 1 273.424 3.617 40 0 CHABMO CC(C)[N@H+]1CCC[C@@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216041 567920728 /nfs/dbraw/zinc/92/07/28/567920728.db2.gz KPLKULCAKVVYMX-MRXNPFEDSA-N 1 1 273.424 3.617 40 0 CHABMO CCSc1ncccc1[C@@H]1CCC[N@H+]1C(C)C ZINC000072217180 567921412 /nfs/dbraw/zinc/92/14/12/567921412.db2.gz QYFNRYJOGHHVLV-ZDUSSCGKSA-N 1 1 250.411 3.739 40 0 CHABMO CNc1ncc([C@@H]2CCCC[N@H+]2CC(C)C)cc1C ZINC000072219002 567921504 /nfs/dbraw/zinc/92/15/04/567921504.db2.gz LTDQLRXZNFJGMA-HNNXBMFYSA-N 1 1 261.413 3.615 40 0 CHABMO CCC[N@H+]1CCC[C@H]1c1cnc(N2CCCC2)cc1C ZINC000072218862 567921550 /nfs/dbraw/zinc/92/15/50/567921550.db2.gz ZPQXPZZXYQWKDM-INIZCTEOSA-N 1 1 273.424 3.537 40 0 CHABMO Cc1cc([C@H]2CCCC[N@H+]2Cc2ccccc2)cnc1N ZINC000072218467 567921906 /nfs/dbraw/zinc/92/19/06/567921906.db2.gz RJGYWBIHTYKHIT-QGZVFWFLSA-N 1 1 281.403 3.699 40 0 CHABMO OC[C@@H](c1cccc(Cl)c1Cl)[NH+]1CCCCC1 ZINC000070453287 567930828 /nfs/dbraw/zinc/93/08/28/567930828.db2.gz JNWZHNNYQCKSDD-LBPRGKRZSA-N 1 1 274.191 3.513 40 0 CHABMO COc1ccc2[nH]c3c(c2c1)CC[N@H+]1C[C@H]2CCCC[C@H]2[C@H]31 ZINC000002124592 567932068 /nfs/dbraw/zinc/93/20/68/567932068.db2.gz HKCFIODYAGNXJQ-BBEGDGIKSA-N 1 1 296.414 3.896 40 0 CHABMO Cc1cc2c(cc1C[N@H+]1CC=CCC(C)(C)C1)OCO2 ZINC000013568397 1120227928 /nfs/dbraw/zinc/22/79/28/1120227928.db2.gz ZVQRICNSXZOMFH-UHFFFAOYSA-N 1 1 273.376 3.512 40 0 CHABMO CCNc1cc(N2Cc3ccccc3C(C)(C)C2)[nH+]c(C)n1 ZINC000329060218 1125452980 /nfs/dbraw/zinc/45/29/80/1125452980.db2.gz WKHXOPUAGSLDNG-UHFFFAOYSA-N 1 1 296.418 3.515 40 0 CHABMO CO[C@@H]1CC[N@@H+](Cc2ccsc2)[C@H]1Cc1ccccc1 ZINC000096061572 185082665 /nfs/dbraw/zinc/08/26/65/185082665.db2.gz ZOXRJBHWJVHDKY-DLBZAZTESA-N 1 1 287.428 3.580 40 0 CHABMO Cc1cc(=O)[nH]cc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072218166 256708145 /nfs/dbraw/zinc/70/81/45/256708145.db2.gz YXVBGJNEEKPYSG-KRWDZBQOSA-N 1 1 282.387 3.823 40 0 CHABMO C[N@H+]1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000072348573 176373576 /nfs/dbraw/zinc/37/35/76/176373576.db2.gz JWUFYHSVNWVEOZ-OAHLLOKOSA-N 1 1 284.378 3.621 40 0 CHABMO Cc1[nH+]cn(-c2ccc(Br)cc2C)c1C ZINC000225793411 333182658 /nfs/dbraw/zinc/18/26/58/333182658.db2.gz RPTRJVOZYFOCMN-UHFFFAOYSA-N 1 1 265.154 3.560 40 0 CHABMO CCCCOc1ccc(Cl)cc1-c1noc([C@@H](C)[NH3+])n1 ZINC000256049838 567112457 /nfs/dbraw/zinc/11/24/57/567112457.db2.gz BRHZSUGNWOXSKF-SECBINFHSA-N 1 1 295.770 3.589 40 0 CHABMO C[C@@H]1CCCC[N@H+]1CCCSC(=O)c1ccccc1 ZINC000002042393 567844322 /nfs/dbraw/zinc/84/43/22/567844322.db2.gz WWWKIGOKQIQJRK-CQSZACIVSA-N 1 1 277.433 3.825 40 0 CHABMO CCCCN1CC[N@@H+](CCCC)[C@H]2CCCC[C@@H]21 ZINC000019365564 567877325 /nfs/dbraw/zinc/87/73/25/567877325.db2.gz UYPHWUXYKSXDIF-HOTGVXAUSA-N 1 1 252.446 3.515 40 0 CHABMO CC(C)c1ccc2oc(C3=CC[N@@H+](C)CC3)nc2c1 ZINC000073635997 567893030 /nfs/dbraw/zinc/89/30/30/567893030.db2.gz YWQBBBFWYSHALN-UHFFFAOYSA-N 1 1 256.349 3.670 40 0 CHABMO Nc1cc(Nc2cccc(C(F)(F)F)c2)nc(C2CC2)[nH+]1 ZINC000049467616 567893235 /nfs/dbraw/zinc/89/32/35/567893235.db2.gz DYTMGLDRDFTDFZ-UHFFFAOYSA-N 1 1 294.280 3.699 40 0 CHABMO CCC[N@@H+]1CC=C(c2nc3cc(CC)ccc3o2)CC1 ZINC000073636269 567893302 /nfs/dbraw/zinc/89/33/02/567893302.db2.gz ONTJCJDYNUBBRM-UHFFFAOYSA-N 1 1 270.376 3.889 40 0 CHABMO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(Br)nc1 ZINC000072211573 567917439 /nfs/dbraw/zinc/91/74/39/567917439.db2.gz ADWQZXPIZNYYMW-GFCCVEGCSA-N 1 1 283.213 3.780 40 0 CHABMO CC(C)[N@H+]1CCCC[C@@H]1c1ccc(Br)nc1 ZINC000072211573 567917440 /nfs/dbraw/zinc/91/74/40/567917440.db2.gz ADWQZXPIZNYYMW-GFCCVEGCSA-N 1 1 283.213 3.780 40 0 CHABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(NCC)nc1 ZINC000072213099 567918073 /nfs/dbraw/zinc/91/80/73/567918073.db2.gz LENUPCVIHYELCI-HNNXBMFYSA-N 1 1 261.413 3.841 40 0 CHABMO CCNc1ccc([C@@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072213096 567918293 /nfs/dbraw/zinc/91/82/93/567918293.db2.gz BDKAJMKNMCCWIQ-HNNXBMFYSA-N 1 1 261.413 3.696 40 0 CHABMO CCCNc1ccc([C@@H]2CCCC[N@H+]2CCC)cn1 ZINC000072213212 567918561 /nfs/dbraw/zinc/91/85/61/567918561.db2.gz QJWLBMOLIOFMST-HNNXBMFYSA-N 1 1 261.413 3.841 40 0 CHABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(NC2CC2)nc1 ZINC000072213783 567919320 /nfs/dbraw/zinc/91/93/20/567919320.db2.gz XTDVAMJHZSCTJI-OAHLLOKOSA-N 1 1 259.397 3.593 40 0 CHABMO CC[N@H+]1CCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214309 567919716 /nfs/dbraw/zinc/91/97/16/567919716.db2.gz JYMVNBAHLKECBD-CYBMUJFWSA-N 1 1 291.395 3.585 40 0 CHABMO CCC[N@H+]1CCCC[C@H]1c1cnc(Cl)c(C)c1 ZINC000072217799 567920362 /nfs/dbraw/zinc/92/03/62/567920362.db2.gz ZNHOHOOQWOUIOO-ZDUSSCGKSA-N 1 1 252.789 3.980 40 0 CHABMO CCC[N@H+]1CCC[C@@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216043 567920709 /nfs/dbraw/zinc/92/07/09/567920709.db2.gz QNOUUIAADGOAQS-MRXNPFEDSA-N 1 1 273.424 3.619 40 0 CHABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1SC ZINC000072216959 567921059 /nfs/dbraw/zinc/92/10/59/567921059.db2.gz NQOCQQMVFUAUAX-CYBMUJFWSA-N 1 1 250.411 3.741 40 0 CHABMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccccc2)ccn1 ZINC000072219447 567921564 /nfs/dbraw/zinc/92/15/64/567921564.db2.gz XLRWYEXAQQCLGG-KRWDZBQOSA-N 1 1 252.361 3.727 40 0 CHABMO CNc1cc(C)c([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072219030 567921881 /nfs/dbraw/zinc/92/18/81/567921881.db2.gz JIKHSVKCPHDXPW-QGZVFWFLSA-N 1 1 281.403 3.769 40 0 CHABMO CC[N@H+]1CCCC[C@H]1c1cnc(N2CCCC2)c(C)c1 ZINC000072218817 567921932 /nfs/dbraw/zinc/92/19/32/567921932.db2.gz GQWRDJAZQAGEKG-INIZCTEOSA-N 1 1 273.424 3.537 40 0 CHABMO COc1ccc2[nH]c3c(c2c1)CC[N@H+]1C[C@H]2CCCC[C@@H]2[C@H]31 ZINC000004026531 567932363 /nfs/dbraw/zinc/93/23/63/567932363.db2.gz HKCFIODYAGNXJQ-SPKLELGKSA-N 1 1 296.414 3.896 40 0 CHABMO CCSc1ncc(C[NH2+]Cc2ccccc2Cl)cn1 ZINC000062717287 570301015 /nfs/dbraw/zinc/30/10/15/570301015.db2.gz TZCHFQDYPQGXRM-UHFFFAOYSA-N 1 1 293.823 3.532 40 0 CHABMO CC[NH+](CC)[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000095860048 185029736 /nfs/dbraw/zinc/02/97/36/185029736.db2.gz SIIBSZRDKLJLBE-KRWDZBQOSA-N 1 1 267.372 3.952 40 0 CHABMO c1csc(CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)c1 ZINC000096049292 185073649 /nfs/dbraw/zinc/07/36/49/185073649.db2.gz IRVINRIJFMIJPD-UHFFFAOYSA-N 1 1 290.476 3.589 40 0 CHABMO Cc1nc(NC(C)C)cc(N2Cc3ccccc3C[C@@H]2C)[nH+]1 ZINC000329006756 136377192 /nfs/dbraw/zinc/37/71/92/136377192.db2.gz LEGDZCPYMCIQPR-ZDUSSCGKSA-N 1 1 296.418 3.557 40 0 CHABMO CC(C)[N@H+]1CCC[C@@H](c2ccc(-c3nccs3)cn2)C1 ZINC000257294530 190028203 /nfs/dbraw/zinc/02/82/03/190028203.db2.gz QUOZVFJKXMSBPA-CQSZACIVSA-N 1 1 287.432 3.793 40 0 CHABMO Fc1ccccc1C[N@H+]1CCC[C@@H]1c1cccc2nccn21 ZINC000257319029 190033711 /nfs/dbraw/zinc/03/37/11/190033711.db2.gz VQJVMXJZACXGAF-MRXNPFEDSA-N 1 1 295.361 3.811 40 0 CHABMO CCC[N@H+]1CCC[C@H]1c1ccc(NC2CCC2)nc1 ZINC000072213840 256712461 /nfs/dbraw/zinc/71/24/61/256712461.db2.gz XBHBAWNZMYOTPJ-HNNXBMFYSA-N 1 1 259.397 3.593 40 0 CHABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1NC1CCC1 ZINC000072213901 256713277 /nfs/dbraw/zinc/71/32/77/256713277.db2.gz XRXHOJVCUNHNRM-MRXNPFEDSA-N 1 1 273.424 3.839 40 0 CHABMO c1ccc(N2CC[NH+]([C@]34CCCC[C@H]3CC=CO4)CC2)cc1 ZINC000001706583 134637488 /nfs/dbraw/zinc/63/74/88/134637488.db2.gz CYUSZIDJYHFRGG-HKUYNNGSSA-N 1 1 298.430 3.629 40 0 CHABMO CCC1=C(C)CC[N@@H+](C)[C@H]1Cc1ccc(OC)cc1 ZINC000005964890 170163292 /nfs/dbraw/zinc/16/32/92/170163292.db2.gz AHSPWXSKMOGFRH-KRWDZBQOSA-N 1 1 259.393 3.668 40 0 CHABMO CC[N@H+](CCOC)[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000006384914 170196915 /nfs/dbraw/zinc/19/69/15/170196915.db2.gz BHIVVVJYEAFBIB-SFHVURJKSA-N 1 1 297.398 3.579 40 0 CHABMO CC[N@@H+](CCOC)[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000006384914 170196917 /nfs/dbraw/zinc/19/69/17/170196917.db2.gz BHIVVVJYEAFBIB-SFHVURJKSA-N 1 1 297.398 3.579 40 0 CHABMO CC[C@H]1CCCC[N@H+]1CCCOc1ccc(C=O)cc1 ZINC000008731534 170351376 /nfs/dbraw/zinc/35/13/76/170351376.db2.gz FFJLQVVISDKCDX-INIZCTEOSA-N 1 1 275.392 3.533 40 0 CHABMO COc1ccc(C2=CC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000022005456 171348674 /nfs/dbraw/zinc/34/86/74/171348674.db2.gz DGODCJUPOVOBKP-UHFFFAOYSA-N 1 1 279.383 3.985 40 0 CHABMO C[N@H+]1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359278 176376672 /nfs/dbraw/zinc/37/66/72/176376672.db2.gz QQVMGTAWWUXOHI-ZDUSSCGKSA-N 1 1 287.794 3.606 40 0 CHABMO C[C@@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2C2CC2)C1 ZINC000072393354 176394416 /nfs/dbraw/zinc/39/44/16/176394416.db2.gz KOACDBZYQWAWEP-GFCCVEGCSA-N 1 1 269.392 3.672 40 0 CHABMO CCSc1ncccc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072217185 567920873 /nfs/dbraw/zinc/92/08/73/567920873.db2.gz GAHLGKNYILYNJE-CQSZACIVSA-N 1 1 264.438 3.987 40 0 CHABMO CCC[N@H+]1CCC[C@@H]1c1ccc(N[C@@H](C)CC)nc1 ZINC000072213507 567919332 /nfs/dbraw/zinc/91/93/32/567919332.db2.gz FIZLAPMVBYATNF-DZGCQCFKSA-N 1 1 261.413 3.839 40 0 CHABMO C[C@H]1CC[C@H](C)[NH+]1c1ccc(N2CCCCC2)c(N)c1 ZINC000008701416 567082365 /nfs/dbraw/zinc/08/23/65/567082365.db2.gz ZPGCBYCQHPDAGN-KBPBESRZSA-N 1 1 273.424 3.636 40 0 CHABMO C[C@H]1CCC[C@@H](N2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC000019900119 567121865 /nfs/dbraw/zinc/12/18/65/567121865.db2.gz PRIBEPJSCZVEBS-OKZBNKHCSA-N 1 1 276.468 3.539 40 0 CHABMO CC(C)(C)[N@H+]1CCO[C@@H](c2cc3ccccc3o2)C1 ZINC000014982180 567870020 /nfs/dbraw/zinc/87/00/20/567870020.db2.gz FSLQAJDYQZJWQT-OAHLLOKOSA-N 1 1 259.349 3.605 40 0 CHABMO S=C1O[NH+]=C(c2ccccc2)C1=CNc1ccccc1 ZINC000017176686 567875129 /nfs/dbraw/zinc/87/51/29/567875129.db2.gz AQFLHTGXSAAFMM-KAMYIIQDSA-N 1 1 280.352 3.744 40 0 CHABMO O[C@@H](/C=C/c1ccccc1)CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1 ZINC000017378387 567875841 /nfs/dbraw/zinc/87/58/41/567875841.db2.gz JYGDXORVNYESLN-MRUBZEKTSA-N 1 1 285.431 3.573 40 0 CHABMO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2ccc(O)cc2)no1 ZINC000019119405 567877197 /nfs/dbraw/zinc/87/71/97/567877197.db2.gz RQTNOPBEQCVRJP-KRWDZBQOSA-N 1 1 286.375 3.806 40 0 CHABMO Cc1cc([C@@H]2CCCCC[N@H+]2Cc2ccc(O)cc2)no1 ZINC000019119405 567877199 /nfs/dbraw/zinc/87/71/99/567877199.db2.gz RQTNOPBEQCVRJP-KRWDZBQOSA-N 1 1 286.375 3.806 40 0 CHABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(Br)nc1 ZINC000072211556 567917718 /nfs/dbraw/zinc/91/77/18/567917718.db2.gz YHHIFXGMOKGGGP-GFCCVEGCSA-N 1 1 283.213 3.637 40 0 CHABMO CCNc1ccc([C@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072213097 567918658 /nfs/dbraw/zinc/91/86/58/567918658.db2.gz BDKAJMKNMCCWIQ-OAHLLOKOSA-N 1 1 261.413 3.696 40 0 CHABMO CC[N@H+]1CCC[C@@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213949 567918805 /nfs/dbraw/zinc/91/88/05/567918805.db2.gz QEGUSAHYFCDTME-OAHLLOKOSA-N 1 1 259.397 3.593 40 0 CHABMO CC[N@H+]1CCC[C@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216634 567920302 /nfs/dbraw/zinc/92/03/02/567920302.db2.gz NDGBCULDKIDPPN-INIZCTEOSA-N 1 1 273.424 3.619 40 0 CHABMO CCSc1ccc([C@H]2CCCC[N@H+]2CC)cn1 ZINC000072217137 567920922 /nfs/dbraw/zinc/92/09/22/567920922.db2.gz ASXFAWIRLBQIDB-CYBMUJFWSA-N 1 1 250.411 3.741 40 0 CHABMO CCC[N@H+]1CCCC[C@@H]1c1c[nH]c(=S)c(C)c1 ZINC000072218278 567920935 /nfs/dbraw/zinc/92/09/35/567920935.db2.gz YFOJOXFZSTVKJS-CYBMUJFWSA-N 1 1 250.411 3.616 40 0 CHABMO CCC[N@H+]1CCC[C@H]1c1cccnc1SCC ZINC000072217183 567921124 /nfs/dbraw/zinc/92/11/24/567921124.db2.gz NRNJUOHPUWCFMS-ZDUSSCGKSA-N 1 1 250.411 3.741 40 0 CHABMO CCC[N@H+]1CCCC[C@@H]1c1cnc(N2CCCC2)c(C)c1 ZINC000072218818 567921520 /nfs/dbraw/zinc/92/15/20/567921520.db2.gz ZFXBBNMIPMTLQX-QGZVFWFLSA-N 1 1 287.451 3.927 40 0 CHABMO CCCC[N@H+]1CCCC[C@@H]1c1cnc(NC)c(C)c1 ZINC000072219004 567921755 /nfs/dbraw/zinc/92/17/55/567921755.db2.gz BWNHDBCHFGQOGQ-OAHLLOKOSA-N 1 1 261.413 3.759 40 0 CHABMO CNc1cc(C)c([C@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072219038 567921913 /nfs/dbraw/zinc/92/19/13/567921913.db2.gz ZMQJGEHXEZQRGT-CYBMUJFWSA-N 1 1 291.395 3.504 40 0 CHABMO CC[NH+](CC)CCN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000019364993 567944769 /nfs/dbraw/zinc/94/47/69/567944769.db2.gz JEORTHKQPXKVMO-FQEVSTJZSA-N 1 1 296.458 3.902 40 0 CHABMO Cc1ccc([C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000140727647 1128950531 /nfs/dbraw/zinc/95/05/31/1128950531.db2.gz MRJDEFWKIOSCAG-LPHOPBHVSA-N 1 1 281.399 3.957 40 0 CHABMO CNc1cc(N2Cc3ccccc3C[C@H]2C)[nH+]c(C(C)C)n1 ZINC000329014411 136377619 /nfs/dbraw/zinc/37/76/19/136377619.db2.gz MWGDHZYXZNOWON-CYBMUJFWSA-N 1 1 296.418 3.593 40 0 CHABMO Cc1cc([C@H]2CCC[N@@H+]2CC(C)C)cnc1N1CCCC1 ZINC000072218804 256708141 /nfs/dbraw/zinc/70/81/41/256708141.db2.gz UQXLOXOAIHYHLY-QGZVFWFLSA-N 1 1 287.451 3.783 40 0 CHABMO CCN(C)c1ccc([C@@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072212738 256713999 /nfs/dbraw/zinc/71/39/99/256713999.db2.gz OGMORFPQSNTMLI-INIZCTEOSA-N 1 1 275.440 3.721 40 0 CHABMO CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC(=O)C[NH+]1CCCCCC1)C2 ZINC000004808430 170020745 /nfs/dbraw/zinc/02/07/45/170020745.db2.gz SLDMLDVVHRLHBB-RLFYNMQTSA-N 1 1 293.451 3.620 40 0 CHABMO Cn1c2ccccc2nc1C[N@@H+](C)CC1CCCCC1 ZINC000006677905 170225396 /nfs/dbraw/zinc/22/53/96/170225396.db2.gz HZCHJZIOHZOQNK-UHFFFAOYSA-N 1 1 271.408 3.585 40 0 CHABMO Cc1ccc2oc([C@H]3CC[N@H+](CC(C)C)C3)nc2c1 ZINC000035446495 172202646 /nfs/dbraw/zinc/20/26/46/172202646.db2.gz MWHROXCUEMHIAV-ZDUSSCGKSA-N 1 1 258.365 3.582 40 0 biogenic,in-vitro CHABMO CC[N@@H+](Cc1cc(Br)cs1)C(C)C ZINC000043687001 175094593 /nfs/dbraw/zinc/09/45/93/175094593.db2.gz ZUZMOYGVAPHYRT-UHFFFAOYSA-N 1 1 262.216 3.741 40 0 CHABMO CC(C)(C)N1Cc2ccc3c(c2C1)C[N@H+](C(C)(C)C)C3 ZINC000071256551 176095464 /nfs/dbraw/zinc/09/54/64/176095464.db2.gz XBVLQMVMFSPGES-UHFFFAOYSA-N 1 1 272.436 3.915 40 0 CHABMO CC(C)(C)N1Cc2ccc3c(c2C1)C[N@@H+](C(C)(C)C)C3 ZINC000071256551 176095466 /nfs/dbraw/zinc/09/54/66/176095466.db2.gz XBVLQMVMFSPGES-UHFFFAOYSA-N 1 1 272.436 3.915 40 0 CHABMO FC(F)(F)c1ccc(-c2cn[nH]c2[C@H]2CCC[NH2+]C2)cc1 ZINC000072379967 176387334 /nfs/dbraw/zinc/38/73/34/176387334.db2.gz JVMCJODKCQOQOG-NSHDSACASA-N 1 1 295.308 3.563 40 0 CHABMO Clc1cccc(C[N@@H+]2CCCC[C@@H]2c2ccncn2)c1 ZINC000072385349 176390056 /nfs/dbraw/zinc/39/00/56/176390056.db2.gz AUELQCJDFPNPQM-MRXNPFEDSA-N 1 1 287.794 3.857 40 0 CHABMO Clc1cccc(C[N@H+]2CCCC[C@@H]2c2ccncn2)c1 ZINC000072385349 176390057 /nfs/dbraw/zinc/39/00/57/176390057.db2.gz AUELQCJDFPNPQM-MRXNPFEDSA-N 1 1 287.794 3.857 40 0 CHABMO C[C@@H]1CC[C@@H](C)[NH+]1c1ccc(N2CCCCC2)c(N)c1 ZINC000008701417 567080446 /nfs/dbraw/zinc/08/04/46/567080446.db2.gz ZPGCBYCQHPDAGN-ZIAGYGMSSA-N 1 1 273.424 3.636 40 0 CHABMO CCC[N@H+]1CCC[C@H]1c1cccnc1N[C@H](C)CC ZINC000108368496 567103512 /nfs/dbraw/zinc/10/35/12/567103512.db2.gz NORPIJXUDNAOFT-HIFRSBDPSA-N 1 1 261.413 3.839 40 0 CHABMO C[N@@H+]1[C@H]2C=C(c3ccc(C(F)(F)F)cc3)C[C@@H]1CC2 ZINC000000007658 567816470 /nfs/dbraw/zinc/81/64/70/567816470.db2.gz DFCVUTKHIIFWKJ-KGLIPLIRSA-N 1 1 267.294 3.955 40 0 CHABMO CCCCN(C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000408732815 567860870 /nfs/dbraw/zinc/86/08/70/567860870.db2.gz ZPMQESNNSUUNBC-INIZCTEOSA-N 1 1 260.425 3.635 40 0 CHABMO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000012284623 567862634 /nfs/dbraw/zinc/86/26/34/567862634.db2.gz COBHCYTXHPGGSR-QGZVFWFLSA-N 1 1 294.398 3.537 40 0 CHABMO C[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(Cl)cc1 ZINC000031961906 567885587 /nfs/dbraw/zinc/88/55/87/567885587.db2.gz WWYMRAQFSAKRMQ-INIZCTEOSA-N 1 1 275.779 3.505 40 0 CHABMO CC[N@H+]1CCO[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000031961917 567885599 /nfs/dbraw/zinc/88/55/99/567885599.db2.gz IURFUVWDJAOBFS-ZWKOTPCHSA-N 1 1 267.372 3.821 40 0 CHABMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1Br ZINC000042205988 567891214 /nfs/dbraw/zinc/89/12/14/567891214.db2.gz BOXLAPJBPBVZFU-LLVKDONJSA-N 1 1 268.198 3.824 40 0 CHABMO Cc1ccc(C2=C3C(=[NH+]CC(C)C)NC=N[C@@H]3SC2)cc1 ZINC000057369752 567894906 /nfs/dbraw/zinc/89/49/06/567894906.db2.gz UYLWGJKSAUBLDY-DOTOQJQBSA-N 1 1 299.443 3.711 40 0 CHABMO CC(C)CC[N@H+]1C[C@@H](C)[C@@](O)(c2ccccc2)C[C@H]1C ZINC000000086267 567905466 /nfs/dbraw/zinc/90/54/66/567905466.db2.gz NRNKPUIJZXENIG-JFIYKMOQSA-N 1 1 275.436 3.651 40 0 CHABMO c1ccc(C[N@H+]2CCCC[C@H]2c2ccccn2)cc1 ZINC000072210993 567917693 /nfs/dbraw/zinc/91/76/93/567917693.db2.gz ZGNGBBMEYSSAIL-KRWDZBQOSA-N 1 1 252.361 3.809 40 0 CHABMO CCOc1ccc([C@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072211802 567917824 /nfs/dbraw/zinc/91/78/24/567917824.db2.gz IBZRYTVPMNLIRI-OAHLLOKOSA-N 1 1 262.397 3.663 40 0 CHABMO CN(C)c1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072212623 567918386 /nfs/dbraw/zinc/91/83/86/567918386.db2.gz GETLSQLLUGEROE-GOSISDBHSA-N 1 1 295.430 3.875 40 0 CHABMO CCCNc1ncccc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072213138 567918389 /nfs/dbraw/zinc/91/83/89/567918389.db2.gz DLTCATKIGLNMNP-OAHLLOKOSA-N 1 1 261.413 3.696 40 0 CHABMO c1ccc(C[N@H+]2CCC[C@H]2c2ccc(NC3CC3)nc2)cc1 ZINC000072213768 567918746 /nfs/dbraw/zinc/91/87/46/567918746.db2.gz WBMAGXOKSLEVFQ-SFHVURJKSA-N 1 1 293.414 3.993 40 0 CHABMO CCCCNc1ccc([C@@H]2CCC[N@H+]2CCC)cn1 ZINC000072213659 567919082 /nfs/dbraw/zinc/91/90/82/567919082.db2.gz UAKJSCXNTOCCEC-HNNXBMFYSA-N 1 1 261.413 3.841 40 0 CHABMO CCCCNc1ncccc1[C@@H]1CCC[N@H+]1C(C)C ZINC000072213597 567919126 /nfs/dbraw/zinc/91/91/26/567919126.db2.gz QUBWBFPNQFCHPG-HNNXBMFYSA-N 1 1 261.413 3.839 40 0 CHABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1N1CCCC1 ZINC000072216001 567920141 /nfs/dbraw/zinc/92/01/41/567920141.db2.gz BMQFPJHURSMONU-INIZCTEOSA-N 1 1 273.424 3.619 40 0 CHABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1N1CCCC1 ZINC000072216004 567920423 /nfs/dbraw/zinc/92/04/23/567920423.db2.gz SGBPCIWUUUYJDB-QGZVFWFLSA-N 1 1 287.451 3.865 40 0 CHABMO C[N@H+]1CCC[C@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217587 567920526 /nfs/dbraw/zinc/92/05/26/567920526.db2.gz CFFJOFAQCMJIDR-HNNXBMFYSA-N 1 1 270.401 4.000 40 0 CHABMO CCCC[N@H+]1CCCC[C@H]1c1ccc[nH]c1=S ZINC000072217086 567921320 /nfs/dbraw/zinc/92/13/20/567921320.db2.gz KHYHNSPPXWBHPO-ZDUSSCGKSA-N 1 1 250.411 3.697 40 0 CHABMO CC[N@H+]1CCC[C@@H]1c1cnc(N2CCCCC2)c(C)c1 ZINC000072219151 567921554 /nfs/dbraw/zinc/92/15/54/567921554.db2.gz DQUPOMYJQNNXPT-MRXNPFEDSA-N 1 1 273.424 3.537 40 0 CHABMO Cc1cc(N2CCCC2)ncc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072218859 567921710 /nfs/dbraw/zinc/92/17/10/567921710.db2.gz IGWTYMXQMZRNKD-INIZCTEOSA-N 1 1 273.424 3.536 40 0 CHABMO CCC[N@H+]1CCC[C@@H]1c1cnc(N2CCCCC2)c(C)c1 ZINC000072219161 567921782 /nfs/dbraw/zinc/92/17/82/567921782.db2.gz IMVGAVSCQWYUAC-QGZVFWFLSA-N 1 1 287.451 3.927 40 0 CHABMO CCC[N@H+]1CCC[C@@H]1c1ccc(N2CCCC2)nc1C ZINC000072218921 567921915 /nfs/dbraw/zinc/92/19/15/567921915.db2.gz QSWQUQAZBFDLSP-MRXNPFEDSA-N 1 1 273.424 3.537 40 0 CHABMO CCC[N@H+]1CCCC[C@@H]1c1cc(OC)ccc1OC ZINC000072221883 567922144 /nfs/dbraw/zinc/92/21/44/567922144.db2.gz NRXFBSZHTWEPNJ-OAHLLOKOSA-N 1 1 263.381 3.641 40 0 CHABMO C[N@H+]1CCC[C@H]1Cc1c[nH]c2ccc(Br)cc12 ZINC000000016286 570319109 /nfs/dbraw/zinc/31/91/09/570319109.db2.gz JCXOJXALBTZEFE-LBPRGKRZSA-N 1 1 293.208 3.567 40 0 CHABMO CC[C@H](C)Nc1nc(N2Cc3ccccc3C[C@H]2C)cc[nH+]1 ZINC000328964611 136377046 /nfs/dbraw/zinc/37/70/46/136377046.db2.gz BXDADZBKBBEKEK-UONOGXRCSA-N 1 1 296.418 3.638 40 0 CHABMO CC[C@H](C)Nc1nc(N2CCc3ccccc3[C@@H]2C)cc[nH+]1 ZINC000328969073 136377441 /nfs/dbraw/zinc/37/74/41/136377441.db2.gz DCNSYIQKYSBIEW-KBPBESRZSA-N 1 1 296.418 3.811 40 0 CHABMO c1cn2cnc([C@@H]3CC[N@H+](C4CCCCC4)C3)c2s1 ZINC000257241829 190018719 /nfs/dbraw/zinc/01/87/19/190018719.db2.gz HZTZCLGJXJJGNA-GFCCVEGCSA-N 1 1 275.421 3.518 40 0 CHABMO Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3c[nH]c4ccccc34)C2)n1 ZINC000257303459 190030239 /nfs/dbraw/zinc/03/02/39/190030239.db2.gz SHIKPNBTUMSCHW-CQSZACIVSA-N 1 1 294.402 3.579 40 0 CHABMO c1sc(C2CCC2)nc1C[NH2+]Cc1ccccc1 ZINC000095093915 256745193 /nfs/dbraw/zinc/74/51/93/256745193.db2.gz YYDXVCKQUMHTKA-UHFFFAOYSA-N 1 1 258.390 3.700 40 0 CHABMO COc1cccc(OC)c1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072221440 256706610 /nfs/dbraw/zinc/70/66/10/256706610.db2.gz WULYAXYJAFCRGZ-CQSZACIVSA-N 1 1 277.408 3.887 40 0 CHABMO COc1ccc2c(c1)[C@]13CC[N@@H+](C)[C@H](C2)[C@@H]1CC(C)=C(C)C3 ZINC000005158863 170072227 /nfs/dbraw/zinc/07/22/27/170072227.db2.gz OYGGFLRVKPKVSI-XUVXKRRUSA-N 1 1 297.442 3.940 40 0 CHABMO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)c1cc2ccccc2o1 ZINC000009514983 170379813 /nfs/dbraw/zinc/37/98/13/170379813.db2.gz MKROPNILIRXSKL-INIZCTEOSA-N 1 1 293.366 3.788 40 0 CHABMO Cc1sc2c([C@@H]3CCC[N@H+](C(C)C)C3)nc(C)n2c1C ZINC000072367725 176382616 /nfs/dbraw/zinc/38/26/16/176382616.db2.gz LWUDJBFLPAXBCU-CQSZACIVSA-N 1 1 291.464 3.909 40 0 CHABMO CC(C)Cn1c2ccccc2nc1C[NH+]1CCCCC1 ZINC000076555471 177037891 /nfs/dbraw/zinc/03/78/91/177037891.db2.gz FWUXKJHDLQFNBC-UHFFFAOYSA-N 1 1 271.408 3.678 40 0 CHABMO c1ccc(CN[C@H]2CCCC[C@H]2[NH2+]Cc2ccccc2)cc1 ZINC000066066509 329111805 /nfs/dbraw/zinc/11/18/05/329111805.db2.gz SJBYIGXWWGSEES-BGYRXZFFSA-N 1 1 294.442 3.877 40 0 CHABMO CC[C@@H](C)Nc1ncccc1[C@H]1CCC[N@H+]1C(C)C ZINC000072213393 567919026 /nfs/dbraw/zinc/91/90/26/567919026.db2.gz KLGIBIMDMHAGNL-UKRRQHHQSA-N 1 1 261.413 3.837 40 0 CHABMO COc1cc(C)c([C@@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072218038 567919476 /nfs/dbraw/zinc/91/94/76/567919476.db2.gz RQRUZLNFZAGSEI-HNNXBMFYSA-N 1 1 262.397 3.582 40 0 CHABMO c1ccc(C[N@H+]2CC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000049168848 560084793 /nfs/dbraw/zinc/08/47/93/560084793.db2.gz MRVXUAMZAXSKSU-HNNXBMFYSA-N 1 1 278.355 3.817 40 0 biogenic,in-vitro CHABMO CC(C)=CC[N@@H+]1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C ZINC000000000596 567816465 /nfs/dbraw/zinc/81/64/65/567816465.db2.gz VOKSWYLNZZRQPF-GDIGMMSISA-N 1 1 285.431 3.883 40 0 fda CHABMO C[C@@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2[C@H]2CCCO2)C1 ZINC000019496568 567877844 /nfs/dbraw/zinc/87/78/44/567877844.db2.gz VDPLXOGYOJQZNK-CZUORRHYSA-N 1 1 299.418 3.646 40 0 CHABMO C[n+]1c(C=CC=CN2CCCCC2)sc2ccccc21 ZINC000031948788 567885687 /nfs/dbraw/zinc/88/56/87/567885687.db2.gz XLSOROZAILXFBN-UHFFFAOYSA-N 1 1 285.436 3.893 40 0 CHABMO C[C@H]1CCCC[N@H+]1Cc1ccccc1Br ZINC000042205991 567891253 /nfs/dbraw/zinc/89/12/53/567891253.db2.gz BOXLAPJBPBVZFU-NSHDSACASA-N 1 1 268.198 3.824 40 0 CHABMO CCOc1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072211828 567917638 /nfs/dbraw/zinc/91/76/38/567917638.db2.gz SMRHPFVMGLYGHO-KRWDZBQOSA-N 1 1 282.387 3.817 40 0 CHABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1NCCC ZINC000072213139 567918265 /nfs/dbraw/zinc/91/82/65/567918265.db2.gz QMZAOKKRICTAQZ-OAHLLOKOSA-N 1 1 261.413 3.841 40 0 CHABMO CCNc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072213064 567918342 /nfs/dbraw/zinc/91/83/42/567918342.db2.gz WGKHQEBYJKKLFC-QGZVFWFLSA-N 1 1 281.403 3.851 40 0 CHABMO CC(C)CNc1ncccc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072213257 567918378 /nfs/dbraw/zinc/91/83/78/567918378.db2.gz LCZCELLFRAPVLK-INIZCTEOSA-N 1 1 275.440 3.942 40 0 CHABMO CC[N@H+]1CCC[C@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213950 567918969 /nfs/dbraw/zinc/91/89/69/567918969.db2.gz QEGUSAHYFCDTME-HNNXBMFYSA-N 1 1 259.397 3.593 40 0 CHABMO C[N@H+]1CCCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214333 567919738 /nfs/dbraw/zinc/91/97/38/567919738.db2.gz XAXNSOLNWQQLST-CYBMUJFWSA-N 1 1 291.395 3.585 40 0 CHABMO C[N@H+]1CCC[C@@H]1c1cccnc1Sc1ccccc1 ZINC000072217646 567920401 /nfs/dbraw/zinc/92/04/01/567920401.db2.gz VVNMLPSOUFGIAW-OAHLLOKOSA-N 1 1 270.401 4.000 40 0 CHABMO CNc1ccc([C@H]2CCCC[N@H+]2CC(C)C)c(C)n1 ZINC000072219123 567921713 /nfs/dbraw/zinc/92/17/13/567921713.db2.gz ZYHWPTSKSAAZQI-OAHLLOKOSA-N 1 1 261.413 3.615 40 0 CHABMO Cc1nc(N2CCCCC2)ccc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072219279 567921768 /nfs/dbraw/zinc/92/17/68/567921768.db2.gz PUKHKJFUFFNVJN-KRWDZBQOSA-N 1 1 287.451 3.926 40 0 CHABMO COc1ccc2[nH]c3c(c2c1)CC[N@H+]1C[C@H]2CCCC[C@H]2[C@@H]31 ZINC000004026529 567932421 /nfs/dbraw/zinc/93/24/21/567932421.db2.gz HKCFIODYAGNXJQ-TVZGQMOCSA-N 1 1 296.414 3.896 40 0 CHABMO COc1cc2c(cc1OCc1ccccc1)[C@H](C)[N@@H+](C)CC2 ZINC000003847232 567938046 /nfs/dbraw/zinc/93/80/46/567938046.db2.gz MNDZGPSZJCVZEO-AWEZNQCLSA-N 1 1 297.398 3.823 40 0 CHABMO C[NH+](C)[C@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccccc1 ZINC000225108438 567952413 /nfs/dbraw/zinc/95/24/13/567952413.db2.gz IHXHRQXVJDZCCE-HNNXBMFYSA-N 1 1 290.451 3.620 40 0 CHABMO COc1ccc2ccccc2c1[C@@H](CN)[N@H+]1CCC[C@H](C)C1 ZINC000108349928 1120154223 /nfs/dbraw/zinc/15/42/23/1120154223.db2.gz IYHLFVKGPZPWHN-WMLDXEAASA-N 1 1 298.430 3.580 40 0 CHABMO COc1ccc2ccccc2c1[C@@H](C[NH3+])N1CCC[C@H](C)C1 ZINC000108349928 1120154226 /nfs/dbraw/zinc/15/42/26/1120154226.db2.gz IYHLFVKGPZPWHN-WMLDXEAASA-N 1 1 298.430 3.580 40 0 CHABMO C[NH2+]CCCNc1cc(C)nc2cc(Cl)cc(Cl)c21 ZINC000222689663 529971740 /nfs/dbraw/zinc/97/17/40/529971740.db2.gz ZHXHDCOVFRJGCM-UHFFFAOYSA-N 1 1 298.217 3.871 40 0 CHABMO Fc1ccc(C[NH2+]Cc2ccccc2Cl)s1 ZINC000256049710 190002274 /nfs/dbraw/zinc/00/22/74/190002274.db2.gz BBKSQVZZKJHIEV-UHFFFAOYSA-N 1 1 255.745 3.830 40 0 CHABMO CNc1cc([C@H]2CCC[N@H+]2Cc2ccsc2)ccn1 ZINC000257253150 190020947 /nfs/dbraw/zinc/02/09/47/190020947.db2.gz JXTUTLFCFLPFEM-CQSZACIVSA-N 1 1 273.405 3.522 40 0 CHABMO CC[N@H+]1CCCC[C@@H]1c1cnc(N2CCCCC2)c(C)c1 ZINC000072219176 256707040 /nfs/dbraw/zinc/70/70/40/256707040.db2.gz GNGLWESGCAOIIN-QGZVFWFLSA-N 1 1 287.451 3.927 40 0 CHABMO CC[N@H+]1CCC[C@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213008 256713565 /nfs/dbraw/zinc/71/35/65/256713565.db2.gz KIWSFQSCLWRYQQ-INIZCTEOSA-N 1 1 275.440 3.862 40 0 CHABMO CC[N@H+]1CCC[C@@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213007 256714341 /nfs/dbraw/zinc/71/43/41/256714341.db2.gz KIWSFQSCLWRYQQ-MRXNPFEDSA-N 1 1 275.440 3.862 40 0 CHABMO COc1cccc(-c2cccc([C@H]3CCC[N@@H+](C)C3)n2)c1 ZINC000072348557 176373713 /nfs/dbraw/zinc/37/37/13/176373713.db2.gz INNQXLRLCGSBCD-HNNXBMFYSA-N 1 1 282.387 3.566 40 0 CHABMO CC(C)[N@H+]1CCC[C@@H](Cc2cccc(Br)n2)C1 ZINC000072363352 176377461 /nfs/dbraw/zinc/37/74/61/176377461.db2.gz PVZVDGJSUZKDBO-LBPRGKRZSA-N 1 1 297.240 3.507 40 0 CHABMO c1cn(-c2cccc([C@@H]3CCC[N@H+]3C3CCCCC3)n2)cn1 ZINC000072378718 176386062 /nfs/dbraw/zinc/38/60/62/176386062.db2.gz YAYSPXXMOLNEMO-KRWDZBQOSA-N 1 1 296.418 3.737 40 0 CHABMO Cc1[nH+]cn(-c2ccc(Cl)c(Br)c2)c1C ZINC000225793473 333182557 /nfs/dbraw/zinc/18/25/57/333182557.db2.gz XMVZCESALZETDW-UHFFFAOYSA-N 1 1 285.572 3.905 40 0 CHABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1Br ZINC000072211616 567917648 /nfs/dbraw/zinc/91/76/48/567917648.db2.gz ZHLXFBDEFRXDAR-GFCCVEGCSA-N 1 1 283.213 3.781 40 0 CHABMO CC(C)(C)C[N@H+]1CC[C@H](c2nnc(-c3ccccc3)o2)C1 ZINC000049169349 560084321 /nfs/dbraw/zinc/08/43/21/560084321.db2.gz GYFRJEQWIUECKK-AWEZNQCLSA-N 1 1 285.391 3.572 40 0 biogenic,in-vitro CHABMO Cn1c2ccccc2nc1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000049171149 560084370 /nfs/dbraw/zinc/08/43/70/560084370.db2.gz CRTIKDCLFIPRSY-INIZCTEOSA-N 1 1 291.398 3.563 40 0 biogenic,in-vitro CHABMO c1ccc(C[N@H+]2CC[C@H](c3nc4ccccc4s3)C2)nc1 ZINC000049168952 560084907 /nfs/dbraw/zinc/08/49/07/560084907.db2.gz MFJWGYFVAFNPDF-ZDUSSCGKSA-N 1 1 295.411 3.681 40 0 biogenic,in-vitro CHABMO Cc1cc[nH+]c(Nc2ccc(Br)cc2)c1 ZINC000199715943 567048971 /nfs/dbraw/zinc/04/89/71/567048971.db2.gz MHOAXLJAGQRGDD-UHFFFAOYSA-N 1 1 263.138 3.896 40 0 CHABMO C[C@H]1CCCC[C@@H]1N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000019900112 567123210 /nfs/dbraw/zinc/12/32/10/567123210.db2.gz ADQAWJJCVOTDOE-BZSNNMDCSA-N 1 1 276.468 3.539 40 0 CHABMO CC1=C[C@H](C)[C@@H](C[N@@H+]2CCO[C@@H]2C(C)C)[C@H](C)C1 ZINC000002296810 567845644 /nfs/dbraw/zinc/84/56/44/567845644.db2.gz ZINAYKAEPVIUEM-ZJIFWQFVSA-N 1 1 251.414 3.539 40 0 CHABMO CCCCO[C@H]1OC[N@H+](C2CCCCC2)CC1(C)C ZINC000061916436 567897238 /nfs/dbraw/zinc/89/72/38/567897238.db2.gz QTUOZAGXZXTNCK-HNNXBMFYSA-N 1 1 269.429 3.778 40 0 CHABMO CCCCCCOCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000068606112 567900884 /nfs/dbraw/zinc/90/08/84/567900884.db2.gz OAONEEXLYGWKGP-UHFFFAOYSA-N 1 1 291.435 3.616 40 0 CHABMO Cc1ncc([C@H]2CCC[N@@H+]2C)c2c3ccccc3[nH]c21 ZINC000000047466 567905939 /nfs/dbraw/zinc/90/59/39/567905939.db2.gz DIZAFWUMCZPYGF-OAHLLOKOSA-N 1 1 265.360 3.791 40 0 biogenic CHABMO CC(C)C[N@H+]1CCC[C@@]2(CCN(Cc3ccsc3)C2)C1 ZINC000096215264 567910142 /nfs/dbraw/zinc/91/01/42/567910142.db2.gz DTEUEBSEHFELKS-QGZVFWFLSA-N 1 1 292.492 3.692 40 0 CHABMO COc1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072211689 567917460 /nfs/dbraw/zinc/91/74/60/567917460.db2.gz IIQADJJBRGAKIV-KRWDZBQOSA-N 1 1 282.387 3.817 40 0 CHABMO CCOc1ncccc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072211862 567917888 /nfs/dbraw/zinc/91/78/88/567917888.db2.gz ILNUDXWJUZUNGI-OAHLLOKOSA-N 1 1 262.397 3.663 40 0 CHABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1Br ZINC000072211615 567917924 /nfs/dbraw/zinc/91/79/24/567917924.db2.gz JXWLYYIGNWYILH-LBPRGKRZSA-N 1 1 283.213 3.637 40 0 CHABMO CCN(CC)c1ccc([C@@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072212856 567918551 /nfs/dbraw/zinc/91/85/51/567918551.db2.gz QTLWPMIWGWHSRB-INIZCTEOSA-N 1 1 275.440 3.863 40 0 CHABMO CC(C)[N@H+]1CCCC[C@@H]1c1ccc(NC2CCC2)nc1 ZINC000072213858 567918749 /nfs/dbraw/zinc/91/87/49/567918749.db2.gz YCIFGKQBDORCGC-MRXNPFEDSA-N 1 1 273.424 3.981 40 0 CHABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1NC1CC1 ZINC000072213742 567918790 /nfs/dbraw/zinc/91/87/90/567918790.db2.gz SAGIRACAGZQNDB-MRXNPFEDSA-N 1 1 273.424 3.983 40 0 CHABMO CC[C@@H](C)Nc1ccc([C@@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072213503 567918803 /nfs/dbraw/zinc/91/88/03/567918803.db2.gz OBRGPSBTKPREKR-HIFRSBDPSA-N 1 1 261.413 3.837 40 0 CHABMO CC[N@H+]1CCCC[C@H]1c1ccc(NC2CCC2)nc1 ZINC000072213855 567919140 /nfs/dbraw/zinc/91/91/40/567919140.db2.gz YNSLOTZERRBIHA-HNNXBMFYSA-N 1 1 259.397 3.593 40 0 CHABMO CC[N@H+]1CCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214369 567920060 /nfs/dbraw/zinc/92/00/60/567920060.db2.gz KWXYDFAYPOVDCN-CYBMUJFWSA-N 1 1 291.395 3.585 40 0 CHABMO CCCC[N@H+]1CCC[C@@H]1c1cnc(Cl)cc1C ZINC000072217845 567920735 /nfs/dbraw/zinc/92/07/35/567920735.db2.gz XLJFJBKWYUYPCV-CYBMUJFWSA-N 1 1 252.789 3.980 40 0 CHABMO Cc1[nH]c(=S)ccc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072218400 567920894 /nfs/dbraw/zinc/92/08/94/567920894.db2.gz IVKXZLREVGYWDR-ZDUSSCGKSA-N 1 1 250.411 3.614 40 0 CHABMO Cc1[nH]c(=S)ccc1[C@H]1CCCC[N@@H+]1CC(C)C ZINC000072218403 567921093 /nfs/dbraw/zinc/92/10/93/567921093.db2.gz TURJPXZTDGOQDZ-CQSZACIVSA-N 1 1 264.438 3.862 40 0 CHABMO Cc1cc([C@H]2CCCC[N@@H+]2C(C)C)c[nH]c1=S ZINC000072218281 567921156 /nfs/dbraw/zinc/92/11/56/567921156.db2.gz PFBKRGPFROJBQN-CYBMUJFWSA-N 1 1 250.411 3.614 40 0 CHABMO CCCC[N@H+]1CCC[C@@H]1c1cnc(N2CCCC2)c(C)c1 ZINC000072218805 567921607 /nfs/dbraw/zinc/92/16/07/567921607.db2.gz LEVQCMVCSIHQKM-QGZVFWFLSA-N 1 1 287.451 3.927 40 0 CHABMO Cc1nc(N2CCCCC2)ccc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072219280 567921616 /nfs/dbraw/zinc/92/16/16/567921616.db2.gz PUKHKJFUFFNVJN-QGZVFWFLSA-N 1 1 287.451 3.926 40 0 CHABMO CCCC[N@H+]1CCCC[C@@H]1c1cnc(N(C)C)cc1C ZINC000072218704 567921694 /nfs/dbraw/zinc/92/16/94/567921694.db2.gz FXSICGKCPXRCTN-MRXNPFEDSA-N 1 1 275.440 3.783 40 0 CHABMO CNc1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)c(C)[nH+]1 ZINC000072219097 567921705 /nfs/dbraw/zinc/92/17/05/567921705.db2.gz DUWMUFVIIXPPGU-ZDUSSCGKSA-N 1 1 291.395 3.504 40 0 CHABMO CNc1cc(C)c([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072219029 567921722 /nfs/dbraw/zinc/92/17/22/567921722.db2.gz JIKHSVKCPHDXPW-KRWDZBQOSA-N 1 1 281.403 3.769 40 0 CHABMO CCCC[N@H+]1CCC[C@H]1c1ccc(N2CCCC2)nc1C ZINC000072218926 567921827 /nfs/dbraw/zinc/92/18/27/567921827.db2.gz YDVNFHVQAPIRFL-KRWDZBQOSA-N 1 1 287.451 3.927 40 0 CHABMO CCCC[N@H+]1CCC[C@H]1c1cnc(N2CCCC2)c(C)c1 ZINC000072218806 567921862 /nfs/dbraw/zinc/92/18/62/567921862.db2.gz LEVQCMVCSIHQKM-KRWDZBQOSA-N 1 1 287.451 3.927 40 0 CHABMO OC[C@H](c1cccc(Cl)c1Cl)[NH+]1CCCCC1 ZINC000070453286 1118294843 /nfs/dbraw/zinc/29/48/43/1118294843.db2.gz JNWZHNNYQCKSDD-GFCCVEGCSA-N 1 1 274.191 3.513 40 0 CHABMO CN(C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]21 ZINC000096058308 185078806 /nfs/dbraw/zinc/07/88/06/185078806.db2.gz CAEWSVAAPWBPMF-BZSNNMDCSA-N 1 1 298.455 3.580 40 0 CHABMO CCCn1nccc1-c1cccc([C@H]2CCC[N@H+]2C(C)C)n1 ZINC000257333898 190035725 /nfs/dbraw/zinc/03/57/25/190035725.db2.gz YDOXMKLIDPCZCG-QGZVFWFLSA-N 1 1 298.434 3.900 40 0 CHABMO Cc1ccc([C@H]2C[N@@H+](C)CC[C@]2(O)c2ccc(C)cc2)cc1 ZINC000004963709 170045933 /nfs/dbraw/zinc/04/59/33/170045933.db2.gz BVTSSYHMGQTDKX-UXHICEINSA-N 1 1 295.426 3.610 40 0 CHABMO Cc1ccc[nH+]c1NCc1ccc(OC(C)C)cc1 ZINC000072226347 176343277 /nfs/dbraw/zinc/34/32/77/176343277.db2.gz LLIYONLIRSVKTP-UHFFFAOYSA-N 1 1 256.349 3.789 40 0 CHABMO CCC[N@H+]1CCCC[C@H]1c1c[nH]c(=S)c(C)c1 ZINC000072218279 567921302 /nfs/dbraw/zinc/92/13/02/567921302.db2.gz YFOJOXFZSTVKJS-ZDUSSCGKSA-N 1 1 250.411 3.616 40 0 CHABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(OC(C)C)nc1 ZINC000072211903 567917467 /nfs/dbraw/zinc/91/74/67/567917467.db2.gz POQNGYIIPFTQAI-HNNXBMFYSA-N 1 1 262.397 3.662 40 0 CHABMO Cc1nc(Cl)ccc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072217920 567920717 /nfs/dbraw/zinc/92/07/17/567920717.db2.gz BNUMWGABLJBQDM-ZDUSSCGKSA-N 1 1 252.789 3.979 40 0 CHABMO Cc1ccc(-c2nnc([C@H]3CC[N@H+](CCC(C)C)C3)o2)cc1 ZINC000049169928 560084564 /nfs/dbraw/zinc/08/45/64/560084564.db2.gz ZPXXPLBSCIBGNL-INIZCTEOSA-N 1 1 299.418 3.880 40 0 biogenic,in-vitro CHABMO CCC[N@H+]1CCC[C@H]1c1ccc(N[C@H](C)CC)nc1 ZINC000108368632 567104118 /nfs/dbraw/zinc/10/41/18/567104118.db2.gz FIZLAPMVBYATNF-HIFRSBDPSA-N 1 1 261.413 3.839 40 0 CHABMO COc1ccc(-c2[nH+]c3ccccn3c2NC(C)C)cc1 ZINC000000413658 567829576 /nfs/dbraw/zinc/82/95/76/567829576.db2.gz GMKWTRLZNRTNKQ-UHFFFAOYSA-N 1 1 281.359 3.830 40 0 CHABMO CCCCCCO[C@@H](C[NH+](C)C)C(Cl)(Cl)Cl ZINC000001727668 567842844 /nfs/dbraw/zinc/84/28/44/567842844.db2.gz NDFVUXIYNXJRED-JTQLQIEISA-N 1 1 290.662 3.884 40 0 CHABMO Cc1ccc([C@@H]2C[N@@H+](C)CC[C@]2(O)c2ccc(C)cc2)cc1 ZINC000001719766 567842316 /nfs/dbraw/zinc/84/23/16/567842316.db2.gz BVTSSYHMGQTDKX-PMACEKPBSA-N 1 1 295.426 3.610 40 0 CHABMO C[C@H]1C[C@]2(C[C@H](C)[N@H+](C)C[C@@H]2C)Nc2ccccc21 ZINC000004006410 567854761 /nfs/dbraw/zinc/85/47/61/567854761.db2.gz DSXWYDFCIRWJDM-AYMQEEERSA-N 1 1 258.409 3.705 40 0 CHABMO CCCn1c(/C=C/C2=CC[N@@H+](C)CC2)nc2ccccc21 ZINC000012115900 567862384 /nfs/dbraw/zinc/86/23/84/567862384.db2.gz DJKCLFVTIYZPRJ-CMDGGOBGSA-N 1 1 281.403 3.721 40 0 CHABMO CC(C)(C)[N@H+]1CCO[C@H](c2cc3ccccc3o2)C1 ZINC000014982182 567869980 /nfs/dbraw/zinc/86/99/80/567869980.db2.gz FSLQAJDYQZJWQT-HNNXBMFYSA-N 1 1 259.349 3.605 40 0 CHABMO Nc1cc(Nc2ccc(Cl)c(Cl)c2)nc(C2CC2)[nH+]1 ZINC000049467609 567893019 /nfs/dbraw/zinc/89/30/19/567893019.db2.gz OTYLZFXCSQFTCF-UHFFFAOYSA-N 1 1 295.173 3.987 40 0 CHABMO Cc1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072211281 567917898 /nfs/dbraw/zinc/91/78/98/567917898.db2.gz AQBUYNFMAJUPBL-QGZVFWFLSA-N 1 1 252.361 3.727 40 0 CHABMO CCN(C)c1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072212765 567918046 /nfs/dbraw/zinc/91/80/46/567918046.db2.gz TXDISWLOLSHQDY-SFHVURJKSA-N 1 1 295.430 3.875 40 0 CHABMO CC[N@H+]1CCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212010 567918190 /nfs/dbraw/zinc/91/81/90/567918190.db2.gz NAWKIGLSDYEGQW-QGZVFWFLSA-N 1 1 282.387 3.817 40 0 CHABMO C[N@H+]1CCC[C@@H]1c1cccnc1Oc1ccccc1 ZINC000072212184 567918348 /nfs/dbraw/zinc/91/83/48/567918348.db2.gz XTYQFACUIFRVSP-OAHLLOKOSA-N 1 1 254.333 3.641 40 0 CHABMO C[N@H+]1CCC[C@@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212124 567918415 /nfs/dbraw/zinc/91/84/15/567918415.db2.gz HHESBKMRILLWOC-OAHLLOKOSA-N 1 1 254.333 3.641 40 0 CHABMO CCN(CC)c1ncccc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072212916 567918503 /nfs/dbraw/zinc/91/85/03/567918503.db2.gz JUEIRAGVQPAVOU-INIZCTEOSA-N 1 1 275.440 3.863 40 0 CHABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1OC(C)C ZINC000072211962 567918595 /nfs/dbraw/zinc/91/85/95/567918595.db2.gz FRCYRFSDMRZTJJ-OAHLLOKOSA-N 1 1 262.397 3.662 40 0 CHABMO C[N@H+]1CCCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212033 567918617 /nfs/dbraw/zinc/91/86/17/567918617.db2.gz VHHASBILFTZSES-QGZVFWFLSA-N 1 1 282.387 3.817 40 0 CHABMO CC[N@H+]1CCCC[C@@H]1c1cccnc1NC1CCC1 ZINC000072213914 567918815 /nfs/dbraw/zinc/91/88/15/567918815.db2.gz QIQPXMKILYEWBF-OAHLLOKOSA-N 1 1 259.397 3.593 40 0 CHABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1NC1CCC1 ZINC000072213903 567918916 /nfs/dbraw/zinc/91/89/16/567918916.db2.gz ULRGLZRRGOLEMO-MRXNPFEDSA-N 1 1 273.424 3.983 40 0 CHABMO CC[N@H+]1CCCC[C@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213975 567919067 /nfs/dbraw/zinc/91/90/67/567919067.db2.gz ONIVZYZQKWPHHG-INIZCTEOSA-N 1 1 273.424 3.983 40 0 CHABMO CCC[N@H+]1CCC[C@H]1c1ccc(N[C@@H](C)CC)nc1 ZINC000072213508 567919204 /nfs/dbraw/zinc/91/92/04/567919204.db2.gz FIZLAPMVBYATNF-ZFWWWQNUSA-N 1 1 261.413 3.839 40 0 CHABMO CC[N@H+]1CCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214310 567919483 /nfs/dbraw/zinc/91/94/83/567919483.db2.gz JYMVNBAHLKECBD-ZDUSSCGKSA-N 1 1 291.395 3.585 40 0 CHABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCC2)nc1 ZINC000072215940 567920251 /nfs/dbraw/zinc/92/02/51/567920251.db2.gz BDRMMKLYWLGGIK-MRXNPFEDSA-N 1 1 273.424 3.619 40 0 CHABMO COc1ncc([C@@H]2CCCC[N@H+]2CC(C)C)cc1C ZINC000072217743 567920638 /nfs/dbraw/zinc/92/06/38/567920638.db2.gz RJJOSEROBQVSAB-HNNXBMFYSA-N 1 1 262.397 3.582 40 0 CHABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216045 567920723 /nfs/dbraw/zinc/92/07/23/567920723.db2.gz NEDNRMHCNBMXJV-QGZVFWFLSA-N 1 1 287.451 3.865 40 0 CHABMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCCC2)nc1 ZINC000072215941 567920785 /nfs/dbraw/zinc/92/07/85/567920785.db2.gz BDRMMKLYWLGGIK-INIZCTEOSA-N 1 1 273.424 3.619 40 0 CHABMO CCCC[N@H+]1CCC[C@@H]1c1c[nH]c(=S)c(C)c1 ZINC000072218265 567921202 /nfs/dbraw/zinc/92/12/02/567921202.db2.gz VNMOGWIENVPLDT-CYBMUJFWSA-N 1 1 250.411 3.616 40 0 CHABMO S=c1[nH]cccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072217050 567921318 /nfs/dbraw/zinc/92/13/18/567921318.db2.gz LUWLKJZPTKEDJC-OAHLLOKOSA-N 1 1 270.401 3.707 40 0 CHABMO Cc1nc(N2CCCCC2)ccc1[C@H]1CCCC[N@@H+]1C ZINC000072219295 567921684 /nfs/dbraw/zinc/92/16/84/567921684.db2.gz UYHMXXMEPCPVBC-MRXNPFEDSA-N 1 1 273.424 3.537 40 0 CHABMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCCC2)nc1C ZINC000072218939 567921844 /nfs/dbraw/zinc/92/18/44/567921844.db2.gz LCDGNVWIVDILDQ-KRWDZBQOSA-N 1 1 287.451 3.927 40 0 CHABMO CCC[N@H+]1CCC[C@H]1c1ccc(N2CCCC2)nc1C ZINC000072218922 567921864 /nfs/dbraw/zinc/92/18/64/567921864.db2.gz QSWQUQAZBFDLSP-INIZCTEOSA-N 1 1 273.424 3.537 40 0 CHABMO Cc1cc([C@H]2CCCC[N@@H+]2C)cnc1N1CCCCC1 ZINC000072219175 567921888 /nfs/dbraw/zinc/92/18/88/567921888.db2.gz NCUPKNJPVVDCFO-MRXNPFEDSA-N 1 1 273.424 3.537 40 0 CHABMO CCCC[C@@H](CC)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000225118411 567952373 /nfs/dbraw/zinc/95/23/73/567952373.db2.gz WJKQPYGPWQFUOP-NVXWUHKLSA-N 1 1 290.451 3.622 40 0 CHABMO Cc1nc(Cl)ccc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072217903 256709450 /nfs/dbraw/zinc/70/94/50/256709450.db2.gz PXAMAPUTXROFOZ-ZDUSSCGKSA-N 1 1 252.789 3.836 40 0 CHABMO CSc1ccc([C@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072216903 256710669 /nfs/dbraw/zinc/71/06/69/256710669.db2.gz ODKADYXKFLWGLT-CQSZACIVSA-N 1 1 264.438 3.987 40 0 CHABMO CC(C)=CC[N@H+]1CC[C@@]2(C)c3cc(O)ccc3CC[C@@H]2C1 ZINC000005158797 170072206 /nfs/dbraw/zinc/07/22/06/170072206.db2.gz UBKGPRKTCCVVBP-VQIMIIECSA-N 1 1 285.431 3.884 40 0 CHABMO Cc1cc(C)c(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)c(C)c1 ZINC000005697538 170130469 /nfs/dbraw/zinc/13/04/69/170130469.db2.gz SHQXUKQYDKBFSW-MRXNPFEDSA-N 1 1 288.435 3.671 40 0 CHABMO C[N@H+]1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072348569 176373893 /nfs/dbraw/zinc/37/38/93/176373893.db2.gz AVNFRMNLXUIGIJ-HNNXBMFYSA-N 1 1 284.378 3.621 40 0 CHABMO Cc1nccc([C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000072379982 176387406 /nfs/dbraw/zinc/38/74/06/176387406.db2.gz BEBAXZNQMAUMHS-QGZVFWFLSA-N 1 1 285.366 3.651 40 0 CHABMO Cc1nccc([C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000072379982 176387407 /nfs/dbraw/zinc/38/74/07/176387407.db2.gz BEBAXZNQMAUMHS-QGZVFWFLSA-N 1 1 285.366 3.651 40 0 CHABMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCOc1ccc(C=O)cc1 ZINC000217790314 533826651 /nfs/dbraw/zinc/82/66/51/533826651.db2.gz PFGDLLKEWPKCDC-GASCZTMLSA-N 1 1 275.392 3.531 40 0 CHABMO CCCC[N@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000057621209 566843872 /nfs/dbraw/zinc/84/38/72/566843872.db2.gz YUEUWBBCKUTPEO-OAHLLOKOSA-N 1 1 263.381 3.641 40 0 CHABMO CC1(C)c2ccccc2-c2[nH+]c3ccccc3c(N)c2[C@H]1O ZINC000001580669 567838351 /nfs/dbraw/zinc/83/83/51/567838351.db2.gz VHOMWMZEFVOMIU-GOSISDBHSA-N 1 1 290.366 3.809 40 0 CHABMO CN(C)CCC[NH+]1CCC2(CC1)CCC(C)(C)CC2 ZINC000001680249 567841358 /nfs/dbraw/zinc/84/13/58/567841358.db2.gz YJDQGKDHWFUIGT-UHFFFAOYSA-N 1 1 266.473 3.621 40 0 CHABMO CCOc1cc2c(cc1OC)CC[N@@H+](C)[C@H]2CC(C)C ZINC000003847398 567853994 /nfs/dbraw/zinc/85/39/94/567853994.db2.gz SVKASDAOKTXBIR-HNNXBMFYSA-N 1 1 277.408 3.669 40 0 CHABMO Cc1[nH+]c2cc(C(F)(F)F)cc(N)c2n1-c1ccccc1 ZINC000013211963 567865122 /nfs/dbraw/zinc/86/51/22/567865122.db2.gz NDAJYHJQYNZDLT-UHFFFAOYSA-N 1 1 291.276 3.935 40 0 CHABMO Cc1cccc(C[N@H+]2CC[C@H](c3nc(C(C)(C)C)no3)C2)c1 ZINC000019234947 567877174 /nfs/dbraw/zinc/87/71/74/567877174.db2.gz WHZHZJXFJUHVRH-HNNXBMFYSA-N 1 1 299.418 3.665 40 0 CHABMO C[C@@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)C1 ZINC000019496566 567877900 /nfs/dbraw/zinc/87/79/00/567877900.db2.gz VDPLXOGYOJQZNK-CJNGLKHVSA-N 1 1 299.418 3.646 40 0 CHABMO CCC[N@@H+]1CC=C(c2nc3cc(C)ccc3o2)CC1 ZINC000073636259 567892964 /nfs/dbraw/zinc/89/29/64/567892964.db2.gz RXCVLBISAKMHEZ-UHFFFAOYSA-N 1 1 256.349 3.635 40 0 CHABMO CCC[N@@H+]1CC=C(c2nc3cc(C)c(C)cc3o2)CC1 ZINC000073636273 567893139 /nfs/dbraw/zinc/89/31/39/567893139.db2.gz HWKILRNTHYKZSE-UHFFFAOYSA-N 1 1 270.376 3.944 40 0 CHABMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072211067 567917675 /nfs/dbraw/zinc/91/76/75/567917675.db2.gz POHOSRLWZRWRET-KRWDZBQOSA-N 1 1 252.361 3.727 40 0 CHABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc(Cl)nc1 ZINC000072211466 567917801 /nfs/dbraw/zinc/91/78/01/567917801.db2.gz NXMZQKFCVOUEDO-ZDUSSCGKSA-N 1 1 252.789 3.918 40 0 CHABMO CC(C)Oc1ncccc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072211979 567918524 /nfs/dbraw/zinc/91/85/24/567918524.db2.gz BEMMMKCMKCGQSW-OAHLLOKOSA-N 1 1 262.397 3.804 40 0 CHABMO CC(C)[N@H+]1CCC[C@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213958 567919024 /nfs/dbraw/zinc/91/90/24/567919024.db2.gz HDYUWITYBLBAHW-INIZCTEOSA-N 1 1 273.424 3.981 40 0 CHABMO CC(C)[N@H+]1CCC[C@@H]1c1ccc(NC2CCC2)nc1 ZINC000072213837 567919155 /nfs/dbraw/zinc/91/91/55/567919155.db2.gz DJGPUCFARRPBDB-OAHLLOKOSA-N 1 1 259.397 3.591 40 0 CHABMO COc1ccc([C@@H]2CCCC[N@H+]2CC(C)C)c(C)n1 ZINC000072218098 567919542 /nfs/dbraw/zinc/91/95/42/567919542.db2.gz KNAMMSCLYHKFRE-HNNXBMFYSA-N 1 1 262.397 3.582 40 0 CHABMO C[N@H+]1CCCC[C@@H]1c1cccnc1Nc1ccccc1 ZINC000072214152 567919577 /nfs/dbraw/zinc/91/95/77/567919577.db2.gz QFGZUVMZLOAUSK-MRXNPFEDSA-N 1 1 267.376 3.982 40 0 CHABMO CC[N@H+]1CCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214370 567919590 /nfs/dbraw/zinc/91/95/90/567919590.db2.gz KWXYDFAYPOVDCN-ZDUSSCGKSA-N 1 1 291.395 3.585 40 0 CHABMO C[N@H+]1CCC[C@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217346 567919724 /nfs/dbraw/zinc/91/97/24/567919724.db2.gz CJOBJSYONVQAGN-LBPRGKRZSA-N 1 1 250.411 3.739 40 0 CHABMO C[N@H+]1CCCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214332 567919858 /nfs/dbraw/zinc/91/98/58/567919858.db2.gz XAXNSOLNWQQLST-ZDUSSCGKSA-N 1 1 291.395 3.585 40 0 CHABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(N2CCCC2)nc1 ZINC000072215927 567920156 /nfs/dbraw/zinc/92/01/56/567920156.db2.gz QUDITTSCFOGEQE-MRXNPFEDSA-N 1 1 273.424 3.619 40 0 CHABMO CCC[N@H+]1CCC[C@H]1c1ccc(SCC)nc1 ZINC000072217123 567921425 /nfs/dbraw/zinc/92/14/25/567921425.db2.gz HTKYFDSUNVNCOG-ZDUSSCGKSA-N 1 1 250.411 3.741 40 0 CHABMO CCC[N@H+]1CCCC[C@@H]1c1cnc(N2CCCC2)cc1C ZINC000072218878 567921586 /nfs/dbraw/zinc/92/15/86/567921586.db2.gz HOSRDVYCYHVWGG-QGZVFWFLSA-N 1 1 287.451 3.927 40 0 CHABMO Cc1cc(N2CCCCC2)ncc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072219219 567921884 /nfs/dbraw/zinc/92/18/84/567921884.db2.gz HIDUAEMOURONMU-KRWDZBQOSA-N 1 1 287.451 3.926 40 0 CHABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCC2)nc1C ZINC000072218938 567921925 /nfs/dbraw/zinc/92/19/25/567921925.db2.gz LCDGNVWIVDILDQ-QGZVFWFLSA-N 1 1 287.451 3.927 40 0 CHABMO Cc1ccc(CN2CCC3(CCCC[N@H+]3C)CC2)s1 ZINC000096051196 185074596 /nfs/dbraw/zinc/07/45/96/185074596.db2.gz LMVPZWYVKMSTQB-UHFFFAOYSA-N 1 1 278.465 3.507 40 0 CHABMO Cc1ccc(CN2CCC3(CCCC[N@@H+]3C)CC2)s1 ZINC000096051196 185074597 /nfs/dbraw/zinc/07/45/97/185074597.db2.gz LMVPZWYVKMSTQB-UHFFFAOYSA-N 1 1 278.465 3.507 40 0 CHABMO c1cn2c(cccc2[C@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000257215963 190013484 /nfs/dbraw/zinc/01/34/84/190013484.db2.gz CSLJTBNOEUKIDP-CQSZACIVSA-N 1 1 283.400 3.733 40 0 CHABMO Cc1ccc(C[N@H+]2CCCC[C@@H]2c2ccncn2)cc1 ZINC000257234329 190017174 /nfs/dbraw/zinc/01/71/74/190017174.db2.gz GTAGFRXLSYQFJS-QGZVFWFLSA-N 1 1 267.376 3.512 40 0 CHABMO Cc1ccsc1C[N@H+]1CCCC[C@H]1c1ccncn1 ZINC000257253035 190020768 /nfs/dbraw/zinc/02/07/68/190020768.db2.gz JXIOJOIJGYNWRD-AWEZNQCLSA-N 1 1 273.405 3.574 40 0 CHABMO c1cc2ccc(C[N@H+]3CCCC[C@@H]3c3ccncn3)cc2[nH]1 ZINC000257287094 190026872 /nfs/dbraw/zinc/02/68/72/190026872.db2.gz POMRNMLUINEGAE-GOSISDBHSA-N 1 1 292.386 3.685 40 0 CHABMO COCCNc1c(-c2ccc(C)cc2)[nH+]c2ccc(C)cn21 ZINC000004848453 170029421 /nfs/dbraw/zinc/02/94/21/170029421.db2.gz RQIYSGGRUJUJKI-UHFFFAOYSA-N 1 1 295.386 3.676 40 0 CHABMO CCc1ccc([C@@H](O)CC[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)cc1 ZINC000004934803 170042177 /nfs/dbraw/zinc/04/21/77/170042177.db2.gz VMSXDIVIIRJUEP-LNLFQRSKSA-N 1 1 287.447 3.795 40 0 CHABMO CCC[N@@H+]1CCc2c3ccc(OC)cc3[nH]c2[C@H]1C ZINC000004934183 170042219 /nfs/dbraw/zinc/04/22/19/170042219.db2.gz NNGYOENNZYANFQ-LLVKDONJSA-N 1 1 258.365 3.506 40 0 CHABMO CCC[N@H+]1CCc2c3ccc(OC)cc3[nH]c2[C@H]1C ZINC000004934183 170042220 /nfs/dbraw/zinc/04/22/20/170042220.db2.gz NNGYOENNZYANFQ-LLVKDONJSA-N 1 1 258.365 3.506 40 0 CHABMO Cc1cc(C)c([C@@H](c2ccccc2)[NH+]2CCNCC2)c(C)c1 ZINC000022793204 171398817 /nfs/dbraw/zinc/39/88/17/171398817.db2.gz FXZOPXCXLYXBPO-HXUWFJFHSA-N 1 1 294.442 3.606 40 0 CHABMO C[N@H+]1CCC[C@H](c2cnc(-c3ccccc3Cl)cn2)C1 ZINC000072382918 176388459 /nfs/dbraw/zinc/38/84/59/176388459.db2.gz HGACKBMYPPLRHE-LBPRGKRZSA-N 1 1 287.794 3.606 40 0 CHABMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCCOc1ccc(C=O)cc1 ZINC000217793803 533827568 /nfs/dbraw/zinc/82/75/68/533827568.db2.gz BIRFBPSQXSDJJD-IYBDPMFKSA-N 1 1 289.419 3.921 40 0 CHABMO CCNc1cc(N2CCc3ccccc3C2)[nH+]c(C(C)C)n1 ZINC000316249284 535522031 /nfs/dbraw/zinc/52/20/31/535522031.db2.gz RFXSHFXPLLUCEC-UHFFFAOYSA-N 1 1 296.418 3.595 40 0 CHABMO Cc1ccc(C[N@@H+](Cc2sccc2C)C[C@H](C)O)s1 ZINC000013991518 567912224 /nfs/dbraw/zinc/91/22/24/567912224.db2.gz GZLALKNPGIAFGK-LBPRGKRZSA-N 1 1 295.473 3.809 40 0 CHABMO CC(C)[N@H+]1CCCC[C@H]1c1ccc(Br)nc1 ZINC000072211574 567917544 /nfs/dbraw/zinc/91/75/44/567917544.db2.gz ADWQZXPIZNYYMW-LBPRGKRZSA-N 1 1 283.213 3.780 40 0 CHABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(Br)nc1 ZINC000072211571 567917835 /nfs/dbraw/zinc/91/78/35/567917835.db2.gz HKGCSDXWVBYDLC-GFCCVEGCSA-N 1 1 283.213 3.781 40 0 CHABMO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(Br)nc1 ZINC000072211574 567917543 /nfs/dbraw/zinc/91/75/43/567917543.db2.gz ADWQZXPIZNYYMW-LBPRGKRZSA-N 1 1 283.213 3.780 40 0 CHABMO CCC[N@@H+]1CCCC[C@@H]1c1ccc(Br)nc1 ZINC000072211571 567917834 /nfs/dbraw/zinc/91/78/34/567917834.db2.gz HKGCSDXWVBYDLC-GFCCVEGCSA-N 1 1 283.213 3.781 40 0 CHABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(OC(C)C)nc1 ZINC000072211917 567917910 /nfs/dbraw/zinc/91/79/10/567917910.db2.gz FAXOELMBIDKOOE-OAHLLOKOSA-N 1 1 262.397 3.806 40 0 CHABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1N(C)CC ZINC000072212800 567918100 /nfs/dbraw/zinc/91/81/00/567918100.db2.gz HBOBUTOYRPXWQG-MRXNPFEDSA-N 1 1 275.440 3.865 40 0 CHABMO CCCCNc1ccc([C@@H]2CCCC[N@H+]2CC)cn1 ZINC000072213674 567918743 /nfs/dbraw/zinc/91/87/43/567918743.db2.gz MBMDAUZLYVOHAX-HNNXBMFYSA-N 1 1 261.413 3.841 40 0 CHABMO CCCCNc1ccc([C@H]2CCC[N@H+]2CCC)cn1 ZINC000072213660 567918828 /nfs/dbraw/zinc/91/88/28/567918828.db2.gz UAKJSCXNTOCCEC-OAHLLOKOSA-N 1 1 261.413 3.841 40 0 CHABMO CCCCNc1ncccc1[C@@H]1CCC[N@H+]1CCC ZINC000072213599 567918861 /nfs/dbraw/zinc/91/88/61/567918861.db2.gz KFHDIJORTGABBT-HNNXBMFYSA-N 1 1 261.413 3.841 40 0 CHABMO CC(C)[N@H+]1CCCC[C@H]1c1cccnc1NC1CCC1 ZINC000072213919 567919295 /nfs/dbraw/zinc/91/92/95/567919295.db2.gz JEQSLBQJRUUSGE-INIZCTEOSA-N 1 1 273.424 3.981 40 0 CHABMO CCC[N@H+]1CCCC[C@H]1c1ccc(Cl)nc1C ZINC000072217919 567920434 /nfs/dbraw/zinc/92/04/34/567920434.db2.gz LHNPETNSBCQQIC-ZDUSSCGKSA-N 1 1 252.789 3.980 40 0 CHABMO Cc1cc([C@@H]2CCCC[N@@H+]2C(C)C)cnc1Cl ZINC000072217800 567920732 /nfs/dbraw/zinc/92/07/32/567920732.db2.gz WCVGWYCHPQAJLR-ZDUSSCGKSA-N 1 1 252.789 3.979 40 0 CHABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(=S)[nH]c1C ZINC000072218385 567921065 /nfs/dbraw/zinc/92/10/65/567921065.db2.gz PLIIWULWBBMCPK-CYBMUJFWSA-N 1 1 250.411 3.616 40 0 CHABMO Cc1cc([C@@H]2CCCC[N@@H+]2C(C)C)cnc1N1CCCC1 ZINC000072218820 567921578 /nfs/dbraw/zinc/92/15/78/567921578.db2.gz UEMCCGXZFJMUHD-KRWDZBQOSA-N 1 1 287.451 3.926 40 0 CHABMO CC[N@H+]1CCCC[C@@H]1c1cnc(N2CCCC2)c(C)c1 ZINC000072218816 567921679 /nfs/dbraw/zinc/92/16/79/567921679.db2.gz GQWRDJAZQAGEKG-MRXNPFEDSA-N 1 1 273.424 3.537 40 0 CHABMO Cc1cc(N2CCCCC2)ncc1[C@@H]1CCCC[N@@H+]1C ZINC000072219234 567921922 /nfs/dbraw/zinc/92/19/22/567921922.db2.gz QAIJQHZQPHXPMR-INIZCTEOSA-N 1 1 273.424 3.537 40 0 CHABMO COc1cccc(OC)c1[C@H]1CCCC[N@H+]1C(C)C ZINC000072221438 567922356 /nfs/dbraw/zinc/92/23/56/567922356.db2.gz ONHLCMCKRGYGHY-CYBMUJFWSA-N 1 1 263.381 3.639 40 0 CHABMO CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)C[NH+]1CCCCCC1)C2 ZINC000004372355 567932286 /nfs/dbraw/zinc/93/22/86/567932286.db2.gz SLDMLDVVHRLHBB-HDMKZQKVSA-N 1 1 293.451 3.620 40 0 CHABMO C=Cn1ccc2c1C[C@H]1CC[C@@H]2[N@H+]1Cc1ccccc1 ZINC000013568933 570284748 /nfs/dbraw/zinc/28/47/48/570284748.db2.gz FAIWHDAYVNRBGS-WBVHZDCISA-N 1 1 264.372 3.850 40 0 CHABMO CC[C@@H](C)Nc1nc(N[C@@H](C)CC)[nH+]c(N[C@@H](C)CC)n1 ZINC000255189170 1121697152 /nfs/dbraw/zinc/69/71/52/1121697152.db2.gz OEPDXZREYVLSAP-SDDRHHMPSA-N 1 1 294.447 3.503 40 0 CHABMO CC[C@@H](C)Nc1nc(N2CCc3ccccc3[C@H]2C)cc[nH+]1 ZINC000328969076 136377206 /nfs/dbraw/zinc/37/72/06/136377206.db2.gz DCNSYIQKYSBIEW-ZIAGYGMSSA-N 1 1 296.418 3.811 40 0 CHABMO CC[C@@H](C)Nc1nc(N2CCc3ccccc3[C@@H]2C)cc[nH+]1 ZINC000328969074 136377414 /nfs/dbraw/zinc/37/74/14/136377414.db2.gz DCNSYIQKYSBIEW-KGLIPLIRSA-N 1 1 296.418 3.811 40 0 CHABMO CNc1cc(N2Cc3ccccc3C[C@@H]2C)[nH+]c(C(C)C)n1 ZINC000329014412 136377569 /nfs/dbraw/zinc/37/75/69/136377569.db2.gz MWGDHZYXZNOWON-ZDUSSCGKSA-N 1 1 296.418 3.593 40 0 CHABMO Cc1nccc([C@H]2CCCC[N@H+]2Cc2cccs2)n1 ZINC000257229966 190015910 /nfs/dbraw/zinc/01/59/10/190015910.db2.gz GAECQUOEVIAMTA-OAHLLOKOSA-N 1 1 273.405 3.574 40 0 CHABMO c1cc([C@@H]2CCCC[N@H+]2Cc2ccc3ncccc3c2)n[nH]1 ZINC000257262185 190022036 /nfs/dbraw/zinc/02/20/36/190022036.db2.gz LKLVBKOEFXKMHG-SFHVURJKSA-N 1 1 292.386 3.685 40 0 CHABMO c1cc([C@@H]2CCCC[N@@H+]2Cc2ccc3ncccc3c2)n[nH]1 ZINC000257262185 190022037 /nfs/dbraw/zinc/02/20/37/190022037.db2.gz LKLVBKOEFXKMHG-SFHVURJKSA-N 1 1 292.386 3.685 40 0 CHABMO CCCC[N@H+]1CCC[C@@H]1c1cnc(N2CCCC2)cc1C ZINC000072218865 256707527 /nfs/dbraw/zinc/70/75/27/256707527.db2.gz LFEOMRUEHDPPEB-QGZVFWFLSA-N 1 1 287.451 3.927 40 0 CHABMO O=C(CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(F)cc1 ZINC000004934815 170042083 /nfs/dbraw/zinc/04/20/83/170042083.db2.gz IBZZHWLMRZEEDI-KBPBESRZSA-N 1 1 275.367 3.521 40 0 CHABMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(N)cc2Br)C1 ZINC000037515907 173247724 /nfs/dbraw/zinc/24/77/24/173247724.db2.gz DYZRRTDXJJNUOE-PHIMTYICSA-N 1 1 297.240 3.509 40 0 CHABMO c1ccc(-c2nccc([C@H]3CCC[N@@H+]3C3CCCC3)n2)nc1 ZINC000072355771 176374856 /nfs/dbraw/zinc/37/48/56/176374856.db2.gz XMFFXODOEACNGB-QGZVFWFLSA-N 1 1 294.402 3.618 40 0 CHABMO Cc1ccc(Cc2cccc([C@@H]3CCC[N@@H+]3C)n2)cc1 ZINC000072357509 176376266 /nfs/dbraw/zinc/37/62/66/176376266.db2.gz NTRRQRSESHIGMA-SFHVURJKSA-N 1 1 266.388 3.748 40 0 CHABMO c1ccc([C@@H]2C[N@H+](C[C@H]3CCOC3)CC23CCCC3)cc1 ZINC000247973515 334292661 /nfs/dbraw/zinc/29/26/61/334292661.db2.gz UDZOJCHIZIODME-AEFFLSMTSA-N 1 1 285.431 3.683 40 0 CHABMO CCCCCC[C@@H](C[NH+]1CCCC1)N1CCCC1 ZINC000043752071 567906471 /nfs/dbraw/zinc/90/64/71/567906471.db2.gz BPPURDXHUMCGDJ-INIZCTEOSA-N 1 1 252.446 3.517 40 0 CHABMO Cc1cc(=S)[nH]cc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072218340 567921052 /nfs/dbraw/zinc/92/10/52/567921052.db2.gz KHBBNNUVICZPPS-ZDUSSCGKSA-N 1 1 250.411 3.614 40 0 CHABMO CC(C)Sc1ncccc1[C@H]1CCCC[N@H+]1C ZINC000072217556 567920418 /nfs/dbraw/zinc/92/04/18/567920418.db2.gz FNIBCIMPRIXSHM-CYBMUJFWSA-N 1 1 250.411 3.739 40 0 CHABMO Cc1ccccc1C[N@H+]1CC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000049169072 560085052 /nfs/dbraw/zinc/08/50/52/560085052.db2.gz MPFBGHNPXABGSM-INIZCTEOSA-N 1 1 291.398 3.861 40 0 biogenic,in-vitro CHABMO O=C1CCC[C@@H]1[C@H]1CCCCC[N@H+]1Cc1ccccc1 ZINC000217464571 567170365 /nfs/dbraw/zinc/17/03/65/567170365.db2.gz OMWBVERYXPTJQI-IAGOWNOFSA-N 1 1 271.404 3.800 40 0 CHABMO CCC[N@@H+]1CCc2c3ccc(OC)cc3[nH]c2[C@@H]1C ZINC000001609696 567839528 /nfs/dbraw/zinc/83/95/28/567839528.db2.gz NNGYOENNZYANFQ-NSHDSACASA-N 1 1 258.365 3.506 40 0 CHABMO CCC[N@H+]1CCc2c3ccc(OC)cc3[nH]c2[C@@H]1C ZINC000001609696 567839529 /nfs/dbraw/zinc/83/95/29/567839529.db2.gz NNGYOENNZYANFQ-NSHDSACASA-N 1 1 258.365 3.506 40 0 CHABMO c1ccc(N2CC[NH+]([C@]34CCCC[C@@H]3CC=CO4)CC2)cc1 ZINC000001706585 567842115 /nfs/dbraw/zinc/84/21/15/567842115.db2.gz CYUSZIDJYHFRGG-MJGOQNOKSA-N 1 1 298.430 3.629 40 0 CHABMO C[C@@H]1C[C@@]2(C[C@H](C)[N@H+](C)C[C@@H]2C)Nc2ccccc21 ZINC000004006407 567854488 /nfs/dbraw/zinc/85/44/88/567854488.db2.gz DSXWYDFCIRWJDM-FHIRATQRSA-N 1 1 258.409 3.705 40 0 CHABMO C[C@H]1CCCC[N@H+]1Cc1cccc(Br)c1 ZINC000014193893 567868742 /nfs/dbraw/zinc/86/87/42/567868742.db2.gz UHXYFARSBSNTGR-NSHDSACASA-N 1 1 268.198 3.824 40 0 CHABMO Cn1cc([C@@H]2CCCCC[N@H+]2Cc2ccc(F)cc2)cn1 ZINC000019290610 567877269 /nfs/dbraw/zinc/87/72/69/567877269.db2.gz BGTJHTQBINLWMA-KRWDZBQOSA-N 1 1 287.382 3.677 40 0 CHABMO COc1cccc(C[N@H+]2CCCCC[C@H]2c2ccn(C)n2)c1 ZINC000019291085 567877332 /nfs/dbraw/zinc/87/73/32/567877332.db2.gz JURGOJFFOBXUHM-SFHVURJKSA-N 1 1 299.418 3.546 40 0 CHABMO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2ccco2)no1 ZINC000019119464 567877367 /nfs/dbraw/zinc/87/73/67/567877367.db2.gz WFLBWGURYNOEAS-OAHLLOKOSA-N 1 1 260.337 3.693 40 0 CHABMO Cc1cc([C@H]2CCCCC[N@H+]2Cc2ccco2)no1 ZINC000019119464 567877368 /nfs/dbraw/zinc/87/73/68/567877368.db2.gz WFLBWGURYNOEAS-OAHLLOKOSA-N 1 1 260.337 3.693 40 0 CHABMO Cc1cc([C@H]2CCCCC[N@H+]2Cc2cccc(O)c2)on1 ZINC000019120300 567877407 /nfs/dbraw/zinc/87/74/07/567877407.db2.gz OHKURPHHXFBYEC-MRXNPFEDSA-N 1 1 286.375 3.806 40 0 CHABMO C[C@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2[C@H]2CCCO2)C1 ZINC000019496569 567878012 /nfs/dbraw/zinc/87/80/12/567878012.db2.gz VDPLXOGYOJQZNK-XJKSGUPXSA-N 1 1 299.418 3.646 40 0 CHABMO CC(C)(O)[C@@]1(C)c2ccccc2CC[N@@H+]1Cc1ccccc1 ZINC000019848039 567879011 /nfs/dbraw/zinc/87/90/11/567879011.db2.gz UOGRJJMJWDCFCP-HXUWFJFHSA-N 1 1 295.426 3.731 40 0 CHABMO C1=C[C@H]2C[C@@H]1C[C@H]2C[NH+]1CCN(C2CCCCCC2)CC1 ZINC000019790111 567879202 /nfs/dbraw/zinc/87/92/02/567879202.db2.gz XCBFRNWRTZBQAU-SQNIBIBYSA-N 1 1 288.479 3.539 40 0 CHABMO CCC[N@@H+]1CC=C(c2nc3ccc(C)cc3o2)CC1 ZINC000073636323 567893293 /nfs/dbraw/zinc/89/32/93/567893293.db2.gz URWAPWUGZDRXPR-UHFFFAOYSA-N 1 1 256.349 3.635 40 0 CHABMO CC[N@@H+]1CC=C(c2nc3ccc(C)cc3s2)CC1 ZINC000073638457 567893592 /nfs/dbraw/zinc/89/35/92/567893592.db2.gz GNRSGMWCHRKVBR-UHFFFAOYSA-N 1 1 258.390 3.714 40 0 CHABMO c1ccc(SCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000068606136 567900965 /nfs/dbraw/zinc/90/09/65/567900965.db2.gz QHPWZNQESRMXMU-UHFFFAOYSA-N 1 1 299.439 3.811 40 0 CHABMO C[C@@H]1CCC[C@H](C)[N@H+]1CCN1[C@@H](C)CCC[C@@H]1C ZINC000114718901 567910276 /nfs/dbraw/zinc/91/02/76/567910276.db2.gz RVIVTMWGPRUAIG-YHUYYLMFSA-N 1 1 252.446 3.512 40 0 CHABMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCN1[C@@H](C)CCC[C@@H]1C ZINC000114718901 567910277 /nfs/dbraw/zinc/91/02/77/567910277.db2.gz RVIVTMWGPRUAIG-YHUYYLMFSA-N 1 1 252.446 3.512 40 0 CHABMO Cc1cccnc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072211122 567917786 /nfs/dbraw/zinc/91/77/86/567917786.db2.gz ASHBIZXTLZJOPU-MRXNPFEDSA-N 1 1 252.361 3.727 40 0 CHABMO CC(C)Oc1ccc([C@@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072211920 567917790 /nfs/dbraw/zinc/91/77/90/567917790.db2.gz QIFGOQMSGVUKPP-HNNXBMFYSA-N 1 1 262.397 3.804 40 0 CHABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(NCC)nc1 ZINC000072213098 567918588 /nfs/dbraw/zinc/91/85/88/567918588.db2.gz LENUPCVIHYELCI-OAHLLOKOSA-N 1 1 261.413 3.841 40 0 CHABMO CC[C@H](C)Nc1ccc([C@@H]2CCCC[N@H+]2CC)cn1 ZINC000072213534 567919001 /nfs/dbraw/zinc/91/90/01/567919001.db2.gz ZRONWPSXWANAID-ZFWWWQNUSA-N 1 1 261.413 3.839 40 0 CHABMO CC[C@H](C)Nc1ncccc1[C@H]1CCCC[N@H+]1CC ZINC000072213424 567919041 /nfs/dbraw/zinc/91/90/41/567919041.db2.gz XBZOOGRKJNEXNL-DZGCQCFKSA-N 1 1 261.413 3.839 40 0 CHABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1NC1CCC1 ZINC000072213917 567919087 /nfs/dbraw/zinc/91/90/87/567919087.db2.gz WIIPSPUJVRHJEB-INIZCTEOSA-N 1 1 273.424 3.983 40 0 CHABMO CCC[N@H+]1CCC[C@H]1c1cccnc1N[C@@H](C)CC ZINC000072213396 567919149 /nfs/dbraw/zinc/91/91/49/567919149.db2.gz NORPIJXUDNAOFT-ZFWWWQNUSA-N 1 1 261.413 3.839 40 0 CHABMO Cc1cc(Cl)ncc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072217843 567920347 /nfs/dbraw/zinc/92/03/47/567920347.db2.gz QAXQVDCTZOAMSO-ZDUSSCGKSA-N 1 1 252.789 3.836 40 0 CHABMO CCCC[N@H+]1CCC[C@H]1c1ccc(N2CCCC2)nc1 ZINC000072215928 567920730 /nfs/dbraw/zinc/92/07/30/567920730.db2.gz QUDITTSCFOGEQE-INIZCTEOSA-N 1 1 273.424 3.619 40 0 CHABMO CC(C)Sc1ncccc1[C@@H]1CCCC[N@H+]1C ZINC000072217555 567920788 /nfs/dbraw/zinc/92/07/88/567920788.db2.gz FNIBCIMPRIXSHM-ZDUSSCGKSA-N 1 1 250.411 3.739 40 0 CHABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc[nH]c1=S ZINC000072217084 567921346 /nfs/dbraw/zinc/92/13/46/567921346.db2.gz PHCRMJZSMGPPHB-ZDUSSCGKSA-N 1 1 250.411 3.553 40 0 CHABMO CCCC[N@H+]1CCCC[C@H]1c1cnc(NC)c(C)c1 ZINC000072219005 567921609 /nfs/dbraw/zinc/92/16/09/567921609.db2.gz BWNHDBCHFGQOGQ-HNNXBMFYSA-N 1 1 261.413 3.759 40 0 CHABMO CCCC[N@H+]1CCCC[C@H]1c1cnc(N(C)C)c(C)c1 ZINC000072218645 567921656 /nfs/dbraw/zinc/92/16/56/567921656.db2.gz GZMAHCLHTLWKCQ-INIZCTEOSA-N 1 1 275.440 3.783 40 0 CHABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(N(C)C)nc1C ZINC000072218765 567921802 /nfs/dbraw/zinc/92/18/02/567921802.db2.gz CZBAUVHJUSIXJW-INIZCTEOSA-N 1 1 275.440 3.783 40 0 CHABMO CCC[N@H+]1CCCC[C@@H]1c1c(OC)cccc1OC ZINC000072221436 567921866 /nfs/dbraw/zinc/92/18/66/567921866.db2.gz YFXGOEPGTDXKKS-CYBMUJFWSA-N 1 1 263.381 3.641 40 0 CHABMO CC[C@@H](C)Oc1c(C)cc(-c2noc([C@@H](C)[NH3+])n2)cc1C ZINC000095095352 567940695 /nfs/dbraw/zinc/94/06/95/567940695.db2.gz HIWLJFGIBQNAPU-VXGBXAGGSA-N 1 1 289.379 3.550 40 0 CHABMO CCCCOc1c(C)cc(-c2noc([C@@H](C)[NH3+])n2)cc1C ZINC000095095350 567940858 /nfs/dbraw/zinc/94/08/58/567940858.db2.gz IRDFZGHQTHDGIK-GFCCVEGCSA-N 1 1 289.379 3.552 40 0 CHABMO c1ccc(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000004315323 567944178 /nfs/dbraw/zinc/94/41/78/567944178.db2.gz MKYUXEIGGMADKP-INIZCTEOSA-N 1 1 291.398 3.943 40 0 CHABMO CCCC[C@H](CC)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000225118526 567952521 /nfs/dbraw/zinc/95/25/21/567952521.db2.gz WJKQPYGPWQFUOP-RDJZCZTQSA-N 1 1 290.451 3.622 40 0 CHABMO CCn1c2ccccc2c2cc(CNCCC[NH2+]C)ccc21 ZINC000006871177 230369961 /nfs/dbraw/zinc/36/99/61/230369961.db2.gz KCTRCXNYXLXIOS-UHFFFAOYSA-N 1 1 295.430 3.514 40 0 CHABMO c1cn2c(cccc2[C@@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000257215962 190013396 /nfs/dbraw/zinc/01/33/96/190013396.db2.gz CSLJTBNOEUKIDP-AWEZNQCLSA-N 1 1 283.400 3.733 40 0 CHABMO CCn1nccc1-c1cccc([C@@H]2CCC[N@H+]2C(C)C)n1 ZINC000257322165 190033763 /nfs/dbraw/zinc/03/37/63/190033763.db2.gz WEVDAJZBOIQPKK-INIZCTEOSA-N 1 1 284.407 3.510 40 0 CHABMO Cc1cc(N2CCCC2)ncc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072218863 256707545 /nfs/dbraw/zinc/70/75/45/256707545.db2.gz ZNMFYJYTCDZHIA-KRWDZBQOSA-N 1 1 287.451 3.783 40 0 CHABMO Cc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4cccs4)C3)nc2c1 ZINC000035446570 172202893 /nfs/dbraw/zinc/20/28/93/172202893.db2.gz ISJFNOURGWKQRY-ZDUSSCGKSA-N 1 1 297.427 3.922 40 0 biogenic,in-vitro CHABMO Cc1ccc2nc([C@H]3CC[N@H+](Cc4cccs4)C3)[nH]c2c1 ZINC000035446570 172202895 /nfs/dbraw/zinc/20/28/95/172202895.db2.gz ISJFNOURGWKQRY-ZDUSSCGKSA-N 1 1 297.427 3.922 40 0 biogenic,in-vitro CHABMO Cc1ccc2nc([C@H]3CC[N@@H+](Cc4cccs4)C3)[nH]c2c1 ZINC000035446570 172202896 /nfs/dbraw/zinc/20/28/96/172202896.db2.gz ISJFNOURGWKQRY-ZDUSSCGKSA-N 1 1 297.427 3.922 40 0 biogenic,in-vitro CHABMO CC(C)[N@H+]1CCC[C@H](Cc2cccc(Br)n2)C1 ZINC000072363351 176377807 /nfs/dbraw/zinc/37/78/07/176377807.db2.gz PVZVDGJSUZKDBO-GFCCVEGCSA-N 1 1 297.240 3.507 40 0 CHABMO Cc1nccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)n1 ZINC000072379991 176387365 /nfs/dbraw/zinc/38/73/65/176387365.db2.gz LXPAICJYVKKCAB-KRWDZBQOSA-N 1 1 267.376 3.512 40 0 CHABMO Cc1cc(Cl)ncc1[C@H]1CCCC[N@@H+]1C(C)C ZINC000072217861 567920747 /nfs/dbraw/zinc/92/07/47/567920747.db2.gz UXNLOLANLPYEGF-CYBMUJFWSA-N 1 1 252.789 3.979 40 0 CHABMO CCCCNc1ncccc1[C@H]1CCCC[N@H+]1CC ZINC000072213615 567918762 /nfs/dbraw/zinc/91/87/62/567918762.db2.gz GTQNORYTBPQAAV-OAHLLOKOSA-N 1 1 261.413 3.841 40 0 CHABMO c1ccc2[nH]c([C@H]3CC[N@H+](CC4CCCCC4)C3)nc2c1 ZINC000049169039 560085065 /nfs/dbraw/zinc/08/50/65/560085065.db2.gz KBWVCFNQVLGZHK-HNNXBMFYSA-N 1 1 283.419 3.933 40 0 biogenic,in-vitro CHABMO Cc1ccc([C@H](C)[N@@H+](C)Cc2ccccc2)cc1N ZINC000218282713 566844035 /nfs/dbraw/zinc/84/40/35/566844035.db2.gz SAWXNWQDVIAHPH-AWEZNQCLSA-N 1 1 254.377 3.770 40 0 CHABMO C[N@@H+]1CC=C(c2nc3cc(Cl)cc(Cl)c3o2)CC1 ZINC000226250034 567038951 /nfs/dbraw/zinc/03/89/51/567038951.db2.gz UPMZAIOVWKZQMW-UHFFFAOYSA-N 1 1 283.158 3.854 40 0 CHABMO CCCC[N@@H+]1CC=C(c2nc3ccccc3o2)CC1 ZINC000226250859 567039419 /nfs/dbraw/zinc/03/94/19/567039419.db2.gz XFBCANVVRYQSMB-UHFFFAOYSA-N 1 1 256.349 3.717 40 0 CHABMO Cc1ccc(C[NH2+]Cc2csc(C3CC3)n2)cc1 ZINC000069877636 567115801 /nfs/dbraw/zinc/11/58/01/567115801.db2.gz UONQXGSAQKTGPW-UHFFFAOYSA-N 1 1 258.390 3.619 40 0 CHABMO O[C@@H](C[NH+]1CCCCC1)c1cc(Cl)cc(Cl)c1 ZINC000001665669 567840777 /nfs/dbraw/zinc/84/07/77/567840777.db2.gz NWESNANXXUZJMA-ZDUSSCGKSA-N 1 1 274.191 3.513 40 0 CHABMO c1ccc(N2CC[NH+]([C@@]34CCCC[C@H]3CC=CO4)CC2)cc1 ZINC000001706584 567842038 /nfs/dbraw/zinc/84/20/38/567842038.db2.gz CYUSZIDJYHFRGG-PKOBYXMFSA-N 1 1 298.430 3.629 40 0 CHABMO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2cccc(O)c2)no1 ZINC000019119423 567877213 /nfs/dbraw/zinc/87/72/13/567877213.db2.gz HPBOQKLELFYTQU-KRWDZBQOSA-N 1 1 286.375 3.806 40 0 CHABMO Cc1cc([C@@H]2CCCCC[N@H+]2Cc2cccc(O)c2)no1 ZINC000019119423 567877215 /nfs/dbraw/zinc/87/72/15/567877215.db2.gz HPBOQKLELFYTQU-KRWDZBQOSA-N 1 1 286.375 3.806 40 0 CHABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1Br ZINC000072211628 567917498 /nfs/dbraw/zinc/91/74/98/567917498.db2.gz QNCXWXVXXWABRY-LBPRGKRZSA-N 1 1 283.213 3.781 40 0 CHABMO CC[C@@H](C)Nc1ccc([C@H]2CCCC[N@H+]2CC)cn1 ZINC000072213535 567918757 /nfs/dbraw/zinc/91/87/57/567918757.db2.gz ZRONWPSXWANAID-UKRRQHHQSA-N 1 1 261.413 3.839 40 0 CHABMO CC(C)CNc1ccc([C@@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072213317 567919274 /nfs/dbraw/zinc/91/92/74/567919274.db2.gz ZVFQRABDPDLDLH-INIZCTEOSA-N 1 1 275.440 3.942 40 0 CHABMO CCCC[N@H+]1CCC[C@H]1c1ccc(NC2CCC2)nc1 ZINC000072213844 567919305 /nfs/dbraw/zinc/91/93/05/567919305.db2.gz DVKVXMFBYQGCNK-INIZCTEOSA-N 1 1 273.424 3.983 40 0 CHABMO C[N@H+]1CCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217407 567919710 /nfs/dbraw/zinc/91/97/10/567919710.db2.gz FKHNWBAOQJNUMU-GFCCVEGCSA-N 1 1 250.411 3.739 40 0 CHABMO CC[N@H+]1CCC[C@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214070 567919763 /nfs/dbraw/zinc/91/97/63/567919763.db2.gz LZNMMZXZLYHCQA-INIZCTEOSA-N 1 1 267.376 3.982 40 0 CHABMO COc1cc(C)c([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072218006 567920125 /nfs/dbraw/zinc/92/01/25/567920125.db2.gz IHSBZHOZMLNGCR-QGZVFWFLSA-N 1 1 282.387 3.736 40 0 CHABMO CC[N@H+]1CCC[C@@H]1c1cccnc1N1CCCCCC1 ZINC000072216693 567920444 /nfs/dbraw/zinc/92/04/44/567920444.db2.gz AGPVEGNGTKERKU-MRXNPFEDSA-N 1 1 273.424 3.619 40 0 CHABMO CSc1ccc([C@@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072216904 567920917 /nfs/dbraw/zinc/92/09/17/567920917.db2.gz ODKADYXKFLWGLT-AWEZNQCLSA-N 1 1 264.438 3.987 40 0 CHABMO S=c1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)c[nH]1 ZINC000072216991 567920927 /nfs/dbraw/zinc/92/09/27/567920927.db2.gz ONIYTUUGSULYPD-HNNXBMFYSA-N 1 1 270.401 3.707 40 0 CHABMO CCSc1ncccc1[C@H]1CCCC[N@H+]1CC ZINC000072217197 567920991 /nfs/dbraw/zinc/92/09/91/567920991.db2.gz SEWFQQDOTVLJDK-CYBMUJFWSA-N 1 1 250.411 3.741 40 0 CHABMO Cc1[nH]c(=S)ccc1[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000072218402 567921067 /nfs/dbraw/zinc/92/10/67/567921067.db2.gz TURJPXZTDGOQDZ-AWEZNQCLSA-N 1 1 264.438 3.862 40 0 CHABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(=S)[nH]c1 ZINC000072217023 567921194 /nfs/dbraw/zinc/92/11/94/567921194.db2.gz KLOJJZGJCMUSAB-CYBMUJFWSA-N 1 1 250.411 3.553 40 0 CHABMO CCC[N@H+]1CCC[C@H]1c1cnc(N2CCCCC2)cc1C ZINC000072219222 567921482 /nfs/dbraw/zinc/92/14/82/567921482.db2.gz GEUJUBKFIPNFNI-KRWDZBQOSA-N 1 1 287.451 3.927 40 0 CHABMO Cc1nc(N(C)C)ccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072218730 567921509 /nfs/dbraw/zinc/92/15/09/567921509.db2.gz ZXLPGXHOXOAMHD-GOSISDBHSA-N 1 1 295.430 3.793 40 0 CHABMO CC[N@H+]1CCC[C@@H]1c1ccc(N2CCCCC2)nc1C ZINC000072219271 567921662 /nfs/dbraw/zinc/92/16/62/567921662.db2.gz BHIYMWBYGQCWBN-MRXNPFEDSA-N 1 1 273.424 3.537 40 0 CHABMO Cc1cc(N2CCCC2)ncc1[C@H]1CCCC[N@@H+]1C(C)C ZINC000072218881 567921673 /nfs/dbraw/zinc/92/16/73/567921673.db2.gz ZOEBPJDOMHNBPW-QGZVFWFLSA-N 1 1 287.451 3.926 40 0 CHABMO Cc1nc(N2CCCC2)ccc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072218940 567921682 /nfs/dbraw/zinc/92/16/82/567921682.db2.gz WVJUIJABVPSNLQ-KRWDZBQOSA-N 1 1 287.451 3.926 40 0 CHABMO Cc1cnccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072219504 567921812 /nfs/dbraw/zinc/92/18/12/567921812.db2.gz VKZHVDUEJBFGRM-QGZVFWFLSA-N 1 1 252.361 3.727 40 0 CHABMO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC(=O)C[NH+]1CCCCCC1)C2 ZINC000002283131 567932078 /nfs/dbraw/zinc/93/20/78/567932078.db2.gz SLDMLDVVHRLHBB-RKVPGOIHSA-N 1 1 293.451 3.620 40 0 CHABMO Cc1nc2ccccc2[n+]2c1SC(c1ccccc1)C2=O ZINC000003073836 1120648909 /nfs/dbraw/zinc/64/89/09/1120648909.db2.gz FQVLGVNTXLIOPV-UHFFFAOYSA-O 1 1 293.371 3.716 40 0 CHABMO CC[NH+](CC)c1ccc(Nc2ccccc2N)cc1 ZINC000062995784 1121194909 /nfs/dbraw/zinc/19/49/09/1121194909.db2.gz RNGKPPNJDJNRLG-UHFFFAOYSA-N 1 1 255.365 3.859 40 0 CHABMO CC[NH+](CC)[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000095860050 185029852 /nfs/dbraw/zinc/02/98/52/185029852.db2.gz SIIBSZRDKLJLBE-QGZVFWFLSA-N 1 1 267.372 3.952 40 0 CHABMO c1cc2c(cccc2C[N@H+]2CCCC[C@H]2c2ccncn2)[nH]1 ZINC000257261747 190022142 /nfs/dbraw/zinc/02/21/42/190022142.db2.gz LIQVWFPSDZPCKQ-SFHVURJKSA-N 1 1 292.386 3.685 40 0 CHABMO c1cc2c(cccc2C[N@H+]2CCCC[C@@H]2c2ccncn2)[nH]1 ZINC000257261746 190022669 /nfs/dbraw/zinc/02/26/69/190022669.db2.gz LIQVWFPSDZPCKQ-GOSISDBHSA-N 1 1 292.386 3.685 40 0 CHABMO c1cc2ccc(C[N@H+]3CCCC[C@H]3c3ccncn3)cc2[nH]1 ZINC000257287095 190027259 /nfs/dbraw/zinc/02/72/59/190027259.db2.gz POMRNMLUINEGAE-SFHVURJKSA-N 1 1 292.386 3.685 40 0 CHABMO Cc1ccsc1C[N@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000257288446 190027332 /nfs/dbraw/zinc/02/73/32/190027332.db2.gz PUFOGGCWYZDSAJ-CQSZACIVSA-N 1 1 287.432 3.535 40 0 CHABMO CC(C)=CC[N@@H+]1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@@H]2C ZINC000001699600 169744776 /nfs/dbraw/zinc/74/47/76/169744776.db2.gz VOKSWYLNZZRQPF-JVPBZIDWSA-N 1 1 285.431 3.883 40 0 in-vitro CHABMO C[N@H+]1CCC2=C(c3ccccc3)c3ccccc3[C@H]2C1 ZINC000005700911 170130957 /nfs/dbraw/zinc/13/09/57/170130957.db2.gz JNDASOYIKNULGB-GOSISDBHSA-N 1 1 261.368 3.921 40 0 CHABMO Cn1c2ccccc2nc1[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000049171166 175466473 /nfs/dbraw/zinc/46/64/73/175466473.db2.gz GLJWWNMBQIYGKV-AWEZNQCLSA-N 1 1 283.419 3.695 40 0 biogenic,in-vitro CHABMO CCC[N@H+]1CCCC[C@@H]1c1c[nH]c(=S)cc1C ZINC000072218338 567921265 /nfs/dbraw/zinc/92/12/65/567921265.db2.gz SNRKKRXCMHQFNR-CYBMUJFWSA-N 1 1 250.411 3.616 40 0 CHABMO c1ccc2sc([C@H]3CC[N@H+](C4CCC4)C3)nc2c1 ZINC000049168921 560085012 /nfs/dbraw/zinc/08/50/12/560085012.db2.gz YPXJPEMHTLLPIE-NSHDSACASA-N 1 1 258.390 3.638 40 0 biogenic,in-vitro CHABMO C[N@H+]1CC[C@@H](C[C@@](O)(c2ccccc2)C2CCCCC2)C1 ZINC000001628102 567839762 /nfs/dbraw/zinc/83/97/62/567839762.db2.gz NZBBMMXOZYOFPC-QFBILLFUSA-N 1 1 287.447 3.796 40 0 CHABMO COC(C[C@H](C)Nc1cc[nH+]c2cc(Cl)ccc12)OC ZINC000001725992 567842742 /nfs/dbraw/zinc/84/27/42/567842742.db2.gz ABOUSTDQNQDYKK-JTQLQIEISA-N 1 1 294.782 3.698 40 0 CHABMO COc1cc2cccnc2c(NCC[C@@H]2CCCC[N@H+]2C)c1 ZINC000004366792 567857095 /nfs/dbraw/zinc/85/70/95/567857095.db2.gz GCFJQTXRAZEHFB-HNNXBMFYSA-N 1 1 299.418 3.530 40 0 CHABMO CCCCN(C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000408732816 567860885 /nfs/dbraw/zinc/86/08/85/567860885.db2.gz ZPMQESNNSUUNBC-MRXNPFEDSA-N 1 1 260.425 3.635 40 0 CHABMO c1ccc([C@H]2C[N@H+](C[C@@H]3CCOC3)CC23CCCC3)cc1 ZINC000019369997 567878080 /nfs/dbraw/zinc/87/80/80/567878080.db2.gz UDZOJCHIZIODME-FUHWJXTLSA-N 1 1 285.431 3.683 40 0 CHABMO c1ccc([C@@H]2C[N@H+](C[C@@H]3CCOC3)CC23CCCC3)cc1 ZINC000036719492 567889905 /nfs/dbraw/zinc/88/99/05/567889905.db2.gz UDZOJCHIZIODME-WMZOPIPTSA-N 1 1 285.431 3.683 40 0 CHABMO C[C@@H]([C@H](O)c1ccccc1)[N@@H+](C)Cc1c[nH]c2ccccc12 ZINC000068605808 567900909 /nfs/dbraw/zinc/90/09/09/567900909.db2.gz CDRIUGKQLDWUDV-LIRRHRJNSA-N 1 1 294.398 3.722 40 0 CHABMO COc1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072211746 567917577 /nfs/dbraw/zinc/91/75/77/567917577.db2.gz ONPZDPJXCPXYMO-QGZVFWFLSA-N 1 1 282.387 3.817 40 0 CHABMO Cc1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072211280 567917626 /nfs/dbraw/zinc/91/76/26/567917626.db2.gz AQBUYNFMAJUPBL-KRWDZBQOSA-N 1 1 252.361 3.727 40 0 CHABMO CNc1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072212503 567918025 /nfs/dbraw/zinc/91/80/25/567918025.db2.gz GULMEQUYLBFWMK-QGZVFWFLSA-N 1 1 281.403 3.851 40 0 CHABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(N(CC)CC)nc1 ZINC000072212841 567918334 /nfs/dbraw/zinc/91/83/34/567918334.db2.gz AOEWPWMXPAHFFG-MRXNPFEDSA-N 1 1 275.440 3.865 40 0 CHABMO CC[N@H+]1CCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212011 567918497 /nfs/dbraw/zinc/91/84/97/567918497.db2.gz NAWKIGLSDYEGQW-KRWDZBQOSA-N 1 1 282.387 3.817 40 0 CHABMO CC[C@@H](C)Nc1ccc([C@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072213505 567919080 /nfs/dbraw/zinc/91/90/80/567919080.db2.gz OBRGPSBTKPREKR-UKRRQHHQSA-N 1 1 261.413 3.837 40 0 CHABMO c1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2NC2CC2)cc1 ZINC000072213707 567919108 /nfs/dbraw/zinc/91/91/08/567919108.db2.gz FWJCJBGEVSBMHG-GOSISDBHSA-N 1 1 293.414 3.993 40 0 CHABMO CC[N@H+]1CCCC[C@@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213974 567919117 /nfs/dbraw/zinc/91/91/17/567919117.db2.gz ONIVZYZQKWPHHG-MRXNPFEDSA-N 1 1 273.424 3.983 40 0 CHABMO CC[N@H+]1CCC[C@H]1c1cccnc1NC1CCCCC1 ZINC000072214010 567919279 /nfs/dbraw/zinc/91/92/79/567919279.db2.gz VONDLGQMKYSNBC-INIZCTEOSA-N 1 1 273.424 3.983 40 0 CHABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(OC)nc1C ZINC000072218100 567919640 /nfs/dbraw/zinc/91/96/40/567919640.db2.gz PGEDJJHDWPCGSS-OAHLLOKOSA-N 1 1 262.397 3.726 40 0 CHABMO S=c1[nH]cccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072217051 567920983 /nfs/dbraw/zinc/92/09/83/567920983.db2.gz LUWLKJZPTKEDJC-HNNXBMFYSA-N 1 1 270.401 3.707 40 0 CHABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc(=S)[nH]c1 ZINC000072217024 567921091 /nfs/dbraw/zinc/92/10/91/567921091.db2.gz KLOJJZGJCMUSAB-ZDUSSCGKSA-N 1 1 250.411 3.553 40 0 CHABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(=S)[nH]c1C ZINC000072218398 567921218 /nfs/dbraw/zinc/92/12/18/567921218.db2.gz SJBJHVZIQGJWNC-CYBMUJFWSA-N 1 1 250.411 3.616 40 0 CHABMO Cc1[nH]c(=O)ccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072218226 567921315 /nfs/dbraw/zinc/92/13/15/567921315.db2.gz NMOCIPNDBINPRR-KRWDZBQOSA-N 1 1 282.387 3.823 40 0 CHABMO CCCC[N@H+]1CCC[C@H]1c1cnc(N2CCCC2)cc1C ZINC000072218866 567921654 /nfs/dbraw/zinc/92/16/54/567921654.db2.gz LFEOMRUEHDPPEB-KRWDZBQOSA-N 1 1 287.451 3.927 40 0 CHABMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCCC2)nc1C ZINC000072219296 567921727 /nfs/dbraw/zinc/92/17/27/567921727.db2.gz XSABRXPCJBXZLH-QGZVFWFLSA-N 1 1 287.451 3.927 40 0 CHABMO COc1ccc(OC)c([C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC000072221886 567922214 /nfs/dbraw/zinc/92/22/14/567922214.db2.gz VNCWQGHNWUQNJB-HNNXBMFYSA-N 1 1 263.381 3.639 40 0 CHABMO C[N@@H+](CCc1ccc2cccc(O)c2n1)C1CCCCC1 ZINC000059474699 567956318 /nfs/dbraw/zinc/95/63/18/567956318.db2.gz JWGSAUVKCIHGEQ-UHFFFAOYSA-N 1 1 284.403 3.747 40 0 CHABMO CC[C@@H](C)Nc1nc(N2Cc3ccccc3C[C@@H]2C)cc[nH+]1 ZINC000328964610 1125450873 /nfs/dbraw/zinc/45/08/73/1125450873.db2.gz BXDADZBKBBEKEK-KGLIPLIRSA-N 1 1 296.418 3.638 40 0 CHABMO c1ccc(C[C@H]2[C@H](OCC3CC3)CC[N@H+]2CC2CC2)cc1 ZINC000096061595 185083230 /nfs/dbraw/zinc/08/32/30/185083230.db2.gz JFKOZPIBBFAARA-RBUKOAKNSA-N 1 1 285.431 3.509 40 0 CHABMO C[NH2+]CCCNc1cc(C)nc2c(C)c(Cl)ccc12 ZINC000222688327 529971594 /nfs/dbraw/zinc/97/15/94/529971594.db2.gz ZORHNMLFASOMKA-UHFFFAOYSA-N 1 1 277.799 3.526 40 0 CHABMO Cc1nccn1-c1cccc([C@@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000257235473 190016916 /nfs/dbraw/zinc/01/69/16/190016916.db2.gz GXZUALRXYWUIBX-KRWDZBQOSA-N 1 1 296.418 3.655 40 0 CHABMO Cc1ccsc1C[N@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000257288445 190027286 /nfs/dbraw/zinc/02/72/86/190027286.db2.gz PUFOGGCWYZDSAJ-AWEZNQCLSA-N 1 1 287.432 3.535 40 0 CHABMO CCSc1ccc([C@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072217125 256709606 /nfs/dbraw/zinc/70/96/06/256709606.db2.gz XIGWRLFXWBMVER-CQSZACIVSA-N 1 1 264.438 3.987 40 0 CHABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc(NC2CC2)nc1 ZINC000072213801 256712750 /nfs/dbraw/zinc/71/27/50/256712750.db2.gz WQVMPVZAJJTJEW-INIZCTEOSA-N 1 1 273.424 3.839 40 0 CHABMO O[C@@H](/C=C\c1ccccc1)CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1 ZINC000004934853 170042207 /nfs/dbraw/zinc/04/22/07/170042207.db2.gz JYGDXORVNYESLN-MMLFBZMQSA-N 1 1 285.431 3.573 40 0 CHABMO CC1(C)c2ccccc2-c2[nH+]c3ccccc3c(N)c2[C@@H]1O ZINC000005464746 170101781 /nfs/dbraw/zinc/10/17/81/170101781.db2.gz VHOMWMZEFVOMIU-SFHVURJKSA-N 1 1 290.366 3.809 40 0 CHABMO Cc1cc(C)c([C@H](c2ccccc2)[NH+]2CCNCC2)c(C)c1 ZINC000022793229 171398628 /nfs/dbraw/zinc/39/86/28/171398628.db2.gz FXZOPXCXLYXBPO-FQEVSTJZSA-N 1 1 294.442 3.606 40 0 CHABMO C[N@H+]1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072348575 176373554 /nfs/dbraw/zinc/37/35/54/176373554.db2.gz FYVKJQSHEDNGSG-HNNXBMFYSA-N 1 1 284.378 3.621 40 0 CHABMO COc1cccc(-c2cccc([C@@H]3CCC[N@@H+](C)C3)n2)c1 ZINC000072348558 176373608 /nfs/dbraw/zinc/37/36/08/176373608.db2.gz INNQXLRLCGSBCD-OAHLLOKOSA-N 1 1 282.387 3.566 40 0 CHABMO C[N@H+]1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072348551 176373631 /nfs/dbraw/zinc/37/36/31/176373631.db2.gz ARBLLYOSWTUVJU-ZDUSSCGKSA-N 1 1 270.351 3.697 40 0 CHABMO C[N@H+]1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359279 176377021 /nfs/dbraw/zinc/37/70/21/176377021.db2.gz QQVMGTAWWUXOHI-CYBMUJFWSA-N 1 1 287.794 3.606 40 0 CHABMO Cc1cccc(-c2nccnc2[C@H]2CCC[N@H+](C)C2)c1C ZINC000072365359 176380548 /nfs/dbraw/zinc/38/05/48/176380548.db2.gz HQGXDNFKGUCECR-HNNXBMFYSA-N 1 1 281.403 3.570 40 0 CHABMO Cc1sc2c([C@H]3CCC[N@H+](C(C)C)C3)nc(C)n2c1C ZINC000072367726 176382888 /nfs/dbraw/zinc/38/28/88/176382888.db2.gz LWUDJBFLPAXBCU-AWEZNQCLSA-N 1 1 291.464 3.909 40 0 CHABMO FC(F)(F)c1ccc(-c2cn[nH]c2[C@@H]2CCC[NH2+]C2)cc1 ZINC000072379966 176387011 /nfs/dbraw/zinc/38/70/11/176387011.db2.gz JVMCJODKCQOQOG-LLVKDONJSA-N 1 1 295.308 3.563 40 0 CHABMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2ccnc(C)n2)cc1 ZINC000072379984 176387027 /nfs/dbraw/zinc/38/70/27/176387027.db2.gz VOGIJMSMTGLQJK-GOSISDBHSA-N 1 1 297.402 3.521 40 0 CHABMO CCCC[N@H+]1CCC[C@H]1c1ccc(Cl)nc1C ZINC000072217906 567920544 /nfs/dbraw/zinc/92/05/44/567920544.db2.gz PHCFOUXQJCTJOS-ZDUSSCGKSA-N 1 1 252.789 3.980 40 0 CHABMO CC(C)C[N@H+]1CC[C@H](c2nc3ccccc3s2)C1 ZINC000049168940 560084917 /nfs/dbraw/zinc/08/49/17/560084917.db2.gz WEACMGOTGCTGQG-LBPRGKRZSA-N 1 1 260.406 3.742 40 0 biogenic,in-vitro CHABMO CCC[NH2+][C@]1(c2ccccc2Cl)CCCCC1=O ZINC000575598450 566944578 /nfs/dbraw/zinc/94/45/78/566944578.db2.gz ALSYVNZHMWPPNW-HNNXBMFYSA-N 1 1 265.784 3.678 40 0 in-vitro CHABMO CC(C)(C)n1c[nH+]c2cc(NCc3ccco3)ccc21 ZINC000004384593 566986306 /nfs/dbraw/zinc/98/63/06/566986306.db2.gz QTWCJQKMXPPQDT-UHFFFAOYSA-N 1 1 269.348 3.996 40 0 CHABMO Oc1cccc([C@]23CCCC[C@@H]2C[N@@H+](CC2CC2)CC3)c1 ZINC000000002650 567816473 /nfs/dbraw/zinc/81/64/73/567816473.db2.gz KFIQKMINEHFZSM-IEBWSBKVSA-N 1 1 285.431 3.936 40 0 CHABMO CCCNc1cc[nH+]c2cc(Br)ccc12 ZINC000002577925 567848442 /nfs/dbraw/zinc/84/84/42/567848442.db2.gz CHGXKUBKMMDOJB-UHFFFAOYSA-N 1 1 265.154 3.819 40 0 CHABMO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2ccco2)no1 ZINC000019119462 567877492 /nfs/dbraw/zinc/87/74/92/567877492.db2.gz WFLBWGURYNOEAS-HNNXBMFYSA-N 1 1 260.337 3.693 40 0 CHABMO Cc1cc([C@@H]2CCCCC[N@H+]2Cc2ccco2)no1 ZINC000019119462 567877493 /nfs/dbraw/zinc/87/74/93/567877493.db2.gz WFLBWGURYNOEAS-HNNXBMFYSA-N 1 1 260.337 3.693 40 0 CHABMO Cc1ccc(Oc2ccc3c(c2)C[N@@H+](C)CC3)cc1 ZINC000031720564 567885246 /nfs/dbraw/zinc/88/52/46/567885246.db2.gz RSBHKHLSLSYEHV-UHFFFAOYSA-N 1 1 253.345 3.775 40 0 CHABMO Cc1nc(N)cc(Nc2ccc(Oc3ccccc3)cc2)[nH+]1 ZINC000049467306 567893081 /nfs/dbraw/zinc/89/30/81/567893081.db2.gz SICVGGFUNSHUSL-UHFFFAOYSA-N 1 1 292.342 3.903 40 0 CHABMO Cc1nc(Nc2ccc(Oc3ccccc3)cc2)cc(N)[nH+]1 ZINC000049467306 567893083 /nfs/dbraw/zinc/89/30/83/567893083.db2.gz SICVGGFUNSHUSL-UHFFFAOYSA-N 1 1 292.342 3.903 40 0 CHABMO Cc1ccc(C[N@@H+](CCCO)Cc2sccc2C)s1 ZINC000013997330 567912540 /nfs/dbraw/zinc/91/25/40/567912540.db2.gz LQGGUPXQZKVEOA-UHFFFAOYSA-N 1 1 295.473 3.811 40 0 CHABMO CC1=C[C@@H](C)[C@@H](C[N@@H+]2CCO[C@@H]2C(C)C)[C@H](C)C1 ZINC000102136232 567915319 /nfs/dbraw/zinc/91/53/19/567915319.db2.gz ZINAYKAEPVIUEM-KLHDSHLOSA-N 1 1 251.414 3.539 40 0 CHABMO CCCC[N@H+]1CCC[C@H]1c1ccc(Br)nc1 ZINC000072211559 567917443 /nfs/dbraw/zinc/91/74/43/567917443.db2.gz RORVVFQIAPPTPP-LBPRGKRZSA-N 1 1 283.213 3.781 40 0 CHABMO O=c1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)c[nH]1 ZINC000072212275 567918150 /nfs/dbraw/zinc/91/81/50/567918150.db2.gz QQZUJZSQCHLLLV-INIZCTEOSA-N 1 1 268.360 3.514 40 0 CHABMO CCCC[N@H+]1CCC[C@H]1c1ccc(NCCC)nc1 ZINC000072213200 567918376 /nfs/dbraw/zinc/91/83/76/567918376.db2.gz FZZBMIACFYVTJE-HNNXBMFYSA-N 1 1 261.413 3.841 40 0 CHABMO CC[N@H+]1CCC[C@@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212947 567918397 /nfs/dbraw/zinc/91/83/97/567918397.db2.gz FXQSJNVYRPNRIR-MRXNPFEDSA-N 1 1 275.440 3.862 40 0 CHABMO CC[C@@H](C)Nc1ncccc1[C@@H]1CCC[N@H+]1C(C)C ZINC000072213391 567918785 /nfs/dbraw/zinc/91/87/85/567918785.db2.gz KLGIBIMDMHAGNL-HIFRSBDPSA-N 1 1 261.413 3.837 40 0 CHABMO CCC[N@H+]1CCC[C@@H]1c1cccnc1NC1CCC1 ZINC000072213899 567918856 /nfs/dbraw/zinc/91/88/56/567918856.db2.gz JNEGTBDEUGWAEC-OAHLLOKOSA-N 1 1 259.397 3.593 40 0 CHABMO CC(C)CNc1ccc([C@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072213318 567919036 /nfs/dbraw/zinc/91/90/36/567919036.db2.gz ZVFQRABDPDLDLH-MRXNPFEDSA-N 1 1 275.440 3.942 40 0 CHABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(NC2CC2)nc1 ZINC000072213803 567919049 /nfs/dbraw/zinc/91/90/49/567919049.db2.gz OFMBPYTWFHKRAU-INIZCTEOSA-N 1 1 273.424 3.983 40 0 CHABMO CCC[N@H+]1CCC[C@@H]1c1cccnc1N[C@@H](C)CC ZINC000072213395 567919061 /nfs/dbraw/zinc/91/90/61/567919061.db2.gz NORPIJXUDNAOFT-DZGCQCFKSA-N 1 1 261.413 3.839 40 0 CHABMO CC[C@H](C)Nc1ccc([C@H]2CCCC[N@H+]2CC)cn1 ZINC000072213536 567919324 /nfs/dbraw/zinc/91/93/24/567919324.db2.gz ZRONWPSXWANAID-DZGCQCFKSA-N 1 1 261.413 3.839 40 0 CHABMO CCC[N@H+]1CCC[C@@H]1c1ccc(NCC(C)C)nc1 ZINC000072213315 567919330 /nfs/dbraw/zinc/91/93/30/567919330.db2.gz UIHGGULBFVLOJS-OAHLLOKOSA-N 1 1 261.413 3.696 40 0 CHABMO CC(C)[N@H+]1CCCC[C@H]1c1ccc(N2CCCC2)nc1 ZINC000072215943 567920514 /nfs/dbraw/zinc/92/05/14/567920514.db2.gz YRGUPBPYDVPSEU-INIZCTEOSA-N 1 1 273.424 3.617 40 0 CHABMO CCCC[N@H+]1CCC[C@@H]1c1c(OC)cccc1OC ZINC000072221425 567921526 /nfs/dbraw/zinc/92/15/26/567921526.db2.gz CPPIRHUPMGLVJS-CYBMUJFWSA-N 1 1 263.381 3.641 40 0 CHABMO Cc1cc([C@@H]2CCC[N@@H+]2C(C)C)cnc1N1CCCC1 ZINC000072218799 567921649 /nfs/dbraw/zinc/92/16/49/567921649.db2.gz ZXJPFXXINSJVBZ-INIZCTEOSA-N 1 1 273.424 3.536 40 0 CHABMO Cc1nc(N)ccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072218586 567921668 /nfs/dbraw/zinc/92/16/68/567921668.db2.gz YHXULAKSYBDOCC-KRWDZBQOSA-N 1 1 281.403 3.699 40 0 CHABMO CCCC[N@H+]1CCCC[C@@H]1c1cnc(N(C)C)c(C)c1 ZINC000072218644 567921698 /nfs/dbraw/zinc/92/16/98/567921698.db2.gz GZMAHCLHTLWKCQ-MRXNPFEDSA-N 1 1 275.440 3.783 40 0 CHABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(NC)nc1C ZINC000072219125 567921917 /nfs/dbraw/zinc/92/19/17/567921917.db2.gz YMKFQLWRSKTWRP-HNNXBMFYSA-N 1 1 261.413 3.759 40 0 CHABMO Cc1ccsc1C[N@@H+](CCCO)Cc1cccs1 ZINC000013997282 570285219 /nfs/dbraw/zinc/28/52/19/570285219.db2.gz CNWUPWIIOMJKLT-UHFFFAOYSA-N 1 1 281.446 3.503 40 0 CHABMO C[C@@H]1CCCC[N@H+]1CCCCOc1cccc(C=O)c1 ZINC000217794735 230396796 /nfs/dbraw/zinc/39/67/96/230396796.db2.gz BCPZZIWQQIEYOY-OAHLLOKOSA-N 1 1 275.392 3.533 40 0 CHABMO CC(C)[N@H+]1CCC[C@H]1c1cccnc1N1CCCCC1 ZINC000072216102 256712161 /nfs/dbraw/zinc/71/21/61/256712161.db2.gz RNPBKBCUWLXFSK-INIZCTEOSA-N 1 1 273.424 3.617 40 0 CHABMO CCCNc1ccc([C@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072213198 256713287 /nfs/dbraw/zinc/71/32/87/256713287.db2.gz FTILUARQIYMTLT-OAHLLOKOSA-N 1 1 261.413 3.696 40 0 CHABMO CCN(C)c1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072212706 256714402 /nfs/dbraw/zinc/71/44/02/256714402.db2.gz DSSJXQPTAVBGID-GOSISDBHSA-N 1 1 295.430 3.875 40 0 CHABMO Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000001609260 169724755 /nfs/dbraw/zinc/72/47/55/169724755.db2.gz AFVGAHBUCVDPPI-UHFFFAOYSA-N 1 1 286.338 3.670 40 0 in-vivo CHABMO CC[N@@H+](Cc1ccccc1)C1CCN(Cc2ccco2)CC1 ZINC000004703474 170001729 /nfs/dbraw/zinc/00/17/29/170001729.db2.gz UBKSCQYMVRCTBQ-UHFFFAOYSA-N 1 1 298.430 3.766 40 0 CHABMO Cn1cc(C[N@@H+](C)Cc2ccccc2)c2ccccc21 ZINC000005337994 170087344 /nfs/dbraw/zinc/08/73/44/170087344.db2.gz UBXIJBMEJNLIMK-UHFFFAOYSA-N 1 1 264.372 3.810 40 0 CHABMO CCC1=C(C)CC[N@@H+](C)[C@@H]1Cc1ccc(OC)cc1 ZINC000005553077 170112370 /nfs/dbraw/zinc/11/23/70/170112370.db2.gz AHSPWXSKMOGFRH-QGZVFWFLSA-N 1 1 259.393 3.668 40 0 CHABMO C[N@H+]1CCCO[C@H](c2ccccc2)c2ccsc2CC1 ZINC000005759114 170137766 /nfs/dbraw/zinc/13/77/66/170137766.db2.gz CAGUNSQDJUXDGK-QGZVFWFLSA-N 1 1 287.428 3.732 40 0 CHABMO Nc1ccc2[nH]c(C=Cc3ccc(Cl)cc3)[nH+]c2c1 ZINC000006444735 170201769 /nfs/dbraw/zinc/20/17/69/170201769.db2.gz DXHHQXNJULVHPN-FPYGCLRLSA-N 1 1 269.735 3.969 40 0 CHABMO COc1ccc(C[NH2+]Cc2ccccc2Cl)c(OC)c1 ZINC000008473102 170337159 /nfs/dbraw/zinc/33/71/59/170337159.db2.gz KTQUOEDSRZRDKF-UHFFFAOYSA-N 1 1 291.778 3.647 40 0 CHABMO Cc1cccc(Cc2cccc([C@@H]3CCC[N@H+](C)C3)n2)c1 ZINC000072348567 176373507 /nfs/dbraw/zinc/37/35/07/176373507.db2.gz ADWGYSTZYWEQKD-QGZVFWFLSA-N 1 1 280.415 3.790 40 0 CHABMO COc1cccc(C[N@H+]2CCCC[C@H]2c2ccnc(C)n2)c1 ZINC000072385062 176389571 /nfs/dbraw/zinc/38/95/71/176389571.db2.gz PLBPCXYIYHYZNY-SFHVURJKSA-N 1 1 297.402 3.521 40 0 CHABMO CCNc1cc(N2Cc3ccccc3CC2(C)C)[nH+]c(C)n1 ZINC000329023399 535522211 /nfs/dbraw/zinc/52/22/11/535522211.db2.gz OSPTXGDKTQWFHJ-UHFFFAOYSA-N 1 1 296.418 3.558 40 0 CHABMO CCCNc1ccc([C@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072213215 567918179 /nfs/dbraw/zinc/91/81/79/567918179.db2.gz BIYOHDXNXRKWML-OAHLLOKOSA-N 1 1 261.413 3.839 40 0 CHABMO COc1ccc2ccccc2c1[C@@H](CN)[NH+]1CCC(C)CC1 ZINC000032073463 567044107 /nfs/dbraw/zinc/04/41/07/567044107.db2.gz RCMQLXXIWTVYLE-QGZVFWFLSA-N 1 1 298.430 3.580 40 0 CHABMO C[C@H]1CCCC[N@H+]1CCCSC(=O)c1ccccc1 ZINC000001706774 567842212 /nfs/dbraw/zinc/84/22/12/567842212.db2.gz WWWKIGOKQIQJRK-AWEZNQCLSA-N 1 1 277.433 3.825 40 0 CHABMO Cc1cc([C@H]2CCCCC[N@H+]2Cc2cccc(C)n2)on1 ZINC000019236253 567877272 /nfs/dbraw/zinc/87/72/72/567877272.db2.gz VVLSVDXCHOUFTC-MRXNPFEDSA-N 1 1 285.391 3.804 40 0 CHABMO Cc1nc(Cl)ccc1[C@H]1CCC[N@@H+]1CC(C)C ZINC000072217904 567890743 /nfs/dbraw/zinc/89/07/43/567890743.db2.gz PXAMAPUTXROFOZ-CYBMUJFWSA-N 1 1 252.789 3.836 40 0 CHABMO Nc1cc(Nc2cc(Cl)cc(Cl)c2)nc(C2CC2)[nH+]1 ZINC000049467612 567893113 /nfs/dbraw/zinc/89/31/13/567893113.db2.gz RCZVFVCCEBYSOI-UHFFFAOYSA-N 1 1 295.173 3.987 40 0 CHABMO CCC[N@@H+]1CC=C(c2nc3cc(Cl)ccc3o2)CC1 ZINC000073636281 567893161 /nfs/dbraw/zinc/89/31/61/567893161.db2.gz RMVJMDQEWVIYFE-UHFFFAOYSA-N 1 1 276.767 3.980 40 0 CHABMO COc1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072211690 567917558 /nfs/dbraw/zinc/91/75/58/567917558.db2.gz IIQADJJBRGAKIV-QGZVFWFLSA-N 1 1 282.387 3.817 40 0 CHABMO Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072211228 567917664 /nfs/dbraw/zinc/91/76/64/567917664.db2.gz GUUZZZDTYVWJBB-KRWDZBQOSA-N 1 1 252.361 3.727 40 0 CHABMO CC(C)[N@@H+]1CCCC[C@H]1c1cccnc1Br ZINC000072211630 567917705 /nfs/dbraw/zinc/91/77/05/567917705.db2.gz UGBXUCSCONXPFB-LBPRGKRZSA-N 1 1 283.213 3.780 40 0 CHABMO CC(C)[N@H+]1CCCC[C@H]1c1cccnc1Br ZINC000072211630 567917706 /nfs/dbraw/zinc/91/77/06/567917706.db2.gz UGBXUCSCONXPFB-LBPRGKRZSA-N 1 1 283.213 3.780 40 0 CHABMO CCN(CC)c1ncccc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072212899 567918057 /nfs/dbraw/zinc/91/80/57/567918057.db2.gz OEWXVBAERRMTRZ-INIZCTEOSA-N 1 1 275.440 3.721 40 0 CHABMO CCN(C)c1ncccc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072212799 567918620 /nfs/dbraw/zinc/91/86/20/567918620.db2.gz UIZGWMKTAPBOJW-MRXNPFEDSA-N 1 1 275.440 3.721 40 0 CHABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1NC1CCC1 ZINC000072213904 567918871 /nfs/dbraw/zinc/91/88/71/567918871.db2.gz ULRGLZRRGOLEMO-INIZCTEOSA-N 1 1 273.424 3.983 40 0 CHABMO COc1cc(C)c([C@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072218039 567919674 /nfs/dbraw/zinc/91/96/74/567919674.db2.gz RQRUZLNFZAGSEI-OAHLLOKOSA-N 1 1 262.397 3.582 40 0 CHABMO CC(C)Sc1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC000072217495 567920236 /nfs/dbraw/zinc/92/02/36/567920236.db2.gz QGUAIHZMVMVIPM-ZDUSSCGKSA-N 1 1 250.411 3.739 40 0 CHABMO CC(C)[N@H+]1CCCC[C@@H]1c1ccc(N2CCCC2)nc1 ZINC000072215942 567920307 /nfs/dbraw/zinc/92/03/07/567920307.db2.gz YRGUPBPYDVPSEU-MRXNPFEDSA-N 1 1 273.424 3.617 40 0 CHABMO CCC[N@H+]1CCCC[C@@H]1c1cnc(Cl)c(C)c1 ZINC000072217798 567920450 /nfs/dbraw/zinc/92/04/50/567920450.db2.gz ZNHOHOOQWOUIOO-CYBMUJFWSA-N 1 1 252.789 3.980 40 0 CHABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1N1CCCC1 ZINC000072216000 567920459 /nfs/dbraw/zinc/92/04/59/567920459.db2.gz BMQFPJHURSMONU-MRXNPFEDSA-N 1 1 273.424 3.619 40 0 CHABMO C[N@H+]1CCC[C@@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217586 567920689 /nfs/dbraw/zinc/92/06/89/567920689.db2.gz CFFJOFAQCMJIDR-OAHLLOKOSA-N 1 1 270.401 4.000 40 0 CHABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1SC ZINC000072216947 567921121 /nfs/dbraw/zinc/92/11/21/567921121.db2.gz YQWDNOXRJQFJGA-ZDUSSCGKSA-N 1 1 250.411 3.741 40 0 CHABMO CSc1ccc([C@@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072216885 567921197 /nfs/dbraw/zinc/92/11/97/567921197.db2.gz GUVOPQBEKLDFGV-ZDUSSCGKSA-N 1 1 250.411 3.596 40 0 CHABMO Cc1cc(=S)[nH]cc1[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000072218342 567921250 /nfs/dbraw/zinc/92/12/50/567921250.db2.gz QOXLYJZNVFTJGE-AWEZNQCLSA-N 1 1 264.438 3.862 40 0 CHABMO CCCC[N@H+]1CCC[C@H]1c1ccc(SC)nc1 ZINC000072216887 567921253 /nfs/dbraw/zinc/92/12/53/567921253.db2.gz OHYXVVNRQYZVNA-ZDUSSCGKSA-N 1 1 250.411 3.741 40 0 CHABMO CCC[N@H+]1CCC[C@H]1c1cnc(N2CCCCC2)c(C)c1 ZINC000072219162 567921660 /nfs/dbraw/zinc/92/16/60/567921660.db2.gz IMVGAVSCQWYUAC-KRWDZBQOSA-N 1 1 287.451 3.927 40 0 CHABMO CCC[N@H+]1CCC[C@@H]1c1cnc(N2CCCCC2)cc1C ZINC000072219221 567921798 /nfs/dbraw/zinc/92/17/98/567921798.db2.gz GEUJUBKFIPNFNI-QGZVFWFLSA-N 1 1 287.451 3.927 40 0 CHABMO COc1ccc2ccccc2c1[C@H](CN)[N@H+]1CCC[C@H](C)C1 ZINC000036101584 1118452765 /nfs/dbraw/zinc/45/27/65/1118452765.db2.gz IYHLFVKGPZPWHN-YOEHRIQHSA-N 1 1 298.430 3.580 40 0 CHABMO COc1ccc2ccccc2c1[C@H](C[NH3+])N1CCC[C@H](C)C1 ZINC000036101584 1118452767 /nfs/dbraw/zinc/45/27/67/1118452767.db2.gz IYHLFVKGPZPWHN-YOEHRIQHSA-N 1 1 298.430 3.580 40 0 CHABMO C=Cn1ccc2c1C[C@@H]1CC[C@H]2[N@H+]1Cc1ccccc1 ZINC000013568932 1120228381 /nfs/dbraw/zinc/22/83/81/1120228381.db2.gz FAIWHDAYVNRBGS-DOTOQJQBSA-N 1 1 264.372 3.850 40 0 CHABMO C[C@H]1CCCC[N@H+]1CCCCOc1cccc(C=O)c1 ZINC000217794822 230396756 /nfs/dbraw/zinc/39/67/56/230396756.db2.gz BCPZZIWQQIEYOY-HNNXBMFYSA-N 1 1 275.392 3.533 40 0 CHABMO CC[C@@H](C)Nc1cc(N2CCc3ccccc3C2)[nH+]c(C)n1 ZINC000244420074 136386576 /nfs/dbraw/zinc/38/65/76/136386576.db2.gz YTAZBEXXALZAIB-CYBMUJFWSA-N 1 1 296.418 3.558 40 0 CHABMO Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3c[nH]c4ccccc34)C2)n1 ZINC000257303458 190030742 /nfs/dbraw/zinc/03/07/42/190030742.db2.gz SHIKPNBTUMSCHW-AWEZNQCLSA-N 1 1 294.402 3.579 40 0 CHABMO Fc1ccc2oc([C@H]3CC[N@@H+](Cc4ccccc4)C3)nc2c1 ZINC000035446896 172203410 /nfs/dbraw/zinc/20/34/10/172203410.db2.gz FZZQCFMWHACITQ-AWEZNQCLSA-N 1 1 296.345 3.956 40 0 biogenic,in-vitro CHABMO C[N@@H+](Cc1ccc(N)cc1Br)C1CCCCC1 ZINC000037515899 173247687 /nfs/dbraw/zinc/24/76/87/173247687.db2.gz ZMDVXKWAAKZYPO-UHFFFAOYSA-N 1 1 297.240 3.796 40 0 CHABMO C[N@H+]1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 ZINC000072357515 176376376 /nfs/dbraw/zinc/37/63/76/176376376.db2.gz UGDQORHOTIQOQM-QGZVFWFLSA-N 1 1 270.351 3.578 40 0 CHABMO FC(F)(F)c1cccc(-c2cn[nH]c2[C@@H]2CCC[NH2+]2)c1 ZINC000072379960 176386968 /nfs/dbraw/zinc/38/69/68/176386968.db2.gz QBSDTTBSPJPACQ-LBPRGKRZSA-N 1 1 281.281 3.520 40 0 CHABMO COc1ccc(C[N@H+]2CCCC[C@H]2c2ccnc(C)n2)cc1 ZINC000072379983 176386980 /nfs/dbraw/zinc/38/69/80/176386980.db2.gz VOGIJMSMTGLQJK-SFHVURJKSA-N 1 1 297.402 3.521 40 0 CHABMO C[C@@H]1C[C@H](C)C[N@H+](CCCCOc2ccc(C=O)cc2)C1 ZINC000217794098 533798030 /nfs/dbraw/zinc/79/80/30/533798030.db2.gz HAEDRGRMWFMHCG-IYBDPMFKSA-N 1 1 289.419 3.636 40 0 CHABMO Cc1cccc(C[N@H+]2CC[C@@H](c3nc(C(C)(C)C)no3)C2)c1 ZINC000019234946 567877440 /nfs/dbraw/zinc/87/74/40/567877440.db2.gz WHZHZJXFJUHVRH-OAHLLOKOSA-N 1 1 299.418 3.665 40 0 CHABMO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2ccc(O)cc2)no1 ZINC000019119408 567877578 /nfs/dbraw/zinc/87/75/78/567877578.db2.gz RQTNOPBEQCVRJP-QGZVFWFLSA-N 1 1 286.375 3.806 40 0 CHABMO Cc1cc([C@H]2CCCCC[N@H+]2Cc2ccc(O)cc2)no1 ZINC000019119408 567877579 /nfs/dbraw/zinc/87/75/79/567877579.db2.gz RQTNOPBEQCVRJP-QGZVFWFLSA-N 1 1 286.375 3.806 40 0 CHABMO C[N@H+](Cc1ccccc1)C[C@H](O)c1cccc(Cl)c1 ZINC000031912053 567885626 /nfs/dbraw/zinc/88/56/26/567885626.db2.gz GPPOVAQIFWICMY-INIZCTEOSA-N 1 1 275.779 3.505 40 0 CHABMO CC[N@H+]1CCO[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000031961915 567885741 /nfs/dbraw/zinc/88/57/41/567885741.db2.gz IURFUVWDJAOBFS-ROUUACIJSA-N 1 1 267.372 3.821 40 0 CHABMO Cc1ccc(C2=C3C(=[NH+]CC(C)C)NC=N[C@H]3SC2)cc1 ZINC000057369760 567895130 /nfs/dbraw/zinc/89/51/30/567895130.db2.gz UYLWGJKSAUBLDY-WBVHZDCISA-N 1 1 299.443 3.711 40 0 CHABMO CCOc1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072211829 567917672 /nfs/dbraw/zinc/91/76/72/567917672.db2.gz SMRHPFVMGLYGHO-QGZVFWFLSA-N 1 1 282.387 3.817 40 0 CHABMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072211768 567917689 /nfs/dbraw/zinc/91/76/89/567917689.db2.gz BEERZAFPMBKYJD-KRWDZBQOSA-N 1 1 282.387 3.817 40 0 CHABMO Cc1ccnc([C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000072211175 567917767 /nfs/dbraw/zinc/91/77/67/567917767.db2.gz SUJYLZIDRCMMTN-KRWDZBQOSA-N 1 1 252.361 3.727 40 0 CHABMO Cc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072211229 567917776 /nfs/dbraw/zinc/91/77/76/567917776.db2.gz GUUZZZDTYVWJBB-QGZVFWFLSA-N 1 1 252.361 3.727 40 0 CHABMO c1ccc(C[N@H+]2CCCC[C@@H]2c2ccccn2)cc1 ZINC000072210992 567917894 /nfs/dbraw/zinc/91/78/94/567917894.db2.gz ZGNGBBMEYSSAIL-QGZVFWFLSA-N 1 1 252.361 3.809 40 0 CHABMO Cc1ccnc([C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000072211176 567917938 /nfs/dbraw/zinc/91/79/38/567917938.db2.gz SUJYLZIDRCMMTN-QGZVFWFLSA-N 1 1 252.361 3.727 40 0 CHABMO C[N@H+]1CCC[C@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212125 567918131 /nfs/dbraw/zinc/91/81/31/567918131.db2.gz HHESBKMRILLWOC-HNNXBMFYSA-N 1 1 254.333 3.641 40 0 CHABMO C[N@H+]1CCCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212093 567918371 /nfs/dbraw/zinc/91/83/71/567918371.db2.gz PQMLSXFSNYYQLW-QGZVFWFLSA-N 1 1 282.387 3.817 40 0 CHABMO O=c1[nH]cccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072212333 567918380 /nfs/dbraw/zinc/91/83/80/567918380.db2.gz ZRJGWUOQUBUWBO-INIZCTEOSA-N 1 1 268.360 3.514 40 0 CHABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(NCCC)nc1 ZINC000072213199 567918459 /nfs/dbraw/zinc/91/84/59/567918459.db2.gz FZZBMIACFYVTJE-OAHLLOKOSA-N 1 1 261.413 3.841 40 0 CHABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N(CC)CC)nc1 ZINC000072212854 567918632 /nfs/dbraw/zinc/91/86/32/567918632.db2.gz AWYCWRQBRWEDHG-MRXNPFEDSA-N 1 1 275.440 3.865 40 0 CHABMO CC(C)[N@H+]1CCC[C@@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213957 567919216 /nfs/dbraw/zinc/91/92/16/567919216.db2.gz HDYUWITYBLBAHW-MRXNPFEDSA-N 1 1 273.424 3.981 40 0 CHABMO CCCC[N@H+]1CCCC[C@H]1c1cnc(OC)cc1C ZINC000072218041 567919753 /nfs/dbraw/zinc/91/97/53/567919753.db2.gz YNOFBPFVXZURAW-HNNXBMFYSA-N 1 1 262.397 3.726 40 0 CHABMO Cc1cc([C@H]2CCCC[N@@H+]2C(C)C)cnc1Cl ZINC000072217801 567920485 /nfs/dbraw/zinc/92/04/85/567920485.db2.gz WCVGWYCHPQAJLR-CYBMUJFWSA-N 1 1 252.789 3.979 40 0 CHABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(Cl)nc1C ZINC000072217905 567920753 /nfs/dbraw/zinc/92/07/53/567920753.db2.gz PHCFOUXQJCTJOS-CYBMUJFWSA-N 1 1 252.789 3.980 40 0 CHABMO Cc1nc(N2CCCC2)ccc1[C@H]1CCC[N@@H+]1CC(C)C ZINC000072218924 567921475 /nfs/dbraw/zinc/92/14/75/567921475.db2.gz VPIRXTBPXRRIAY-QGZVFWFLSA-N 1 1 287.451 3.783 40 0 CHABMO Cc1cc(N(C)C)ncc1[C@H]1CCCC[N@@H+]1CC(C)C ZINC000072218703 567921640 /nfs/dbraw/zinc/92/16/40/567921640.db2.gz DUNXLKNOYOBJTA-MRXNPFEDSA-N 1 1 275.440 3.639 40 0 CHABMO CNc1ncc([C@H]2CCCC[N@H+]2CC(C)C)cc1C ZINC000072219003 567921860 /nfs/dbraw/zinc/92/18/60/567921860.db2.gz LTDQLRXZNFJGMA-OAHLLOKOSA-N 1 1 261.413 3.615 40 0 CHABMO CCC[N@H+]1CCCC[C@H]1c1cnc(N2CCCC2)c(C)c1 ZINC000072218819 567921919 /nfs/dbraw/zinc/92/19/19/567921919.db2.gz ZFXBBNMIPMTLQX-KRWDZBQOSA-N 1 1 287.451 3.927 40 0 CHABMO CCC[n+]1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000226774407 567929250 /nfs/dbraw/zinc/92/92/50/567929250.db2.gz WQCCVFAOEKWRGU-UHFFFAOYSA-N 1 1 272.759 3.581 40 0 CHABMO Fc1ccc(C[NH2+]Cc2csc(C3CCC3)n2)cc1 ZINC000095093919 567940135 /nfs/dbraw/zinc/94/01/35/567940135.db2.gz BVJQSGIXSONFLB-UHFFFAOYSA-N 1 1 276.380 3.840 40 0 CHABMO CC1(C)C[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000019366427 570237651 /nfs/dbraw/zinc/23/76/51/570237651.db2.gz KROYEDGOMOKSBK-UHFFFAOYSA-N 1 1 294.442 3.783 40 0 CHABMO CC1(C)CN(Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000019366427 570237654 /nfs/dbraw/zinc/23/76/54/570237654.db2.gz KROYEDGOMOKSBK-UHFFFAOYSA-N 1 1 294.442 3.783 40 0 CHABMO CC1(C)CN(Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000019366427 570237657 /nfs/dbraw/zinc/23/76/57/570237657.db2.gz KROYEDGOMOKSBK-UHFFFAOYSA-N 1 1 294.442 3.783 40 0 CHABMO Cc1c[nH]nc1[C@H]1CCC[N@H+]1Cc1cccc2ncccc12 ZINC000257230854 190016277 /nfs/dbraw/zinc/01/62/77/190016277.db2.gz GEEIKOFVCLWOKP-QGZVFWFLSA-N 1 1 292.386 3.603 40 0 CHABMO Cc1cn[nH]c1[C@H]1CCC[N@@H+]1Cc1cccc2ncccc12 ZINC000257230854 190016278 /nfs/dbraw/zinc/01/62/78/190016278.db2.gz GEEIKOFVCLWOKP-QGZVFWFLSA-N 1 1 292.386 3.603 40 0 CHABMO Cc1cn[nH]c1[C@H]1CCC[N@H+]1Cc1cccc2ncccc12 ZINC000257230854 190016279 /nfs/dbraw/zinc/01/62/79/190016279.db2.gz GEEIKOFVCLWOKP-QGZVFWFLSA-N 1 1 292.386 3.603 40 0 CHABMO COc1ccc(OC)c([C@H]2CCCC[N@H+]2C(C)C)c1 ZINC000072221885 256705741 /nfs/dbraw/zinc/70/57/41/256705741.db2.gz VNCWQGHNWUQNJB-OAHLLOKOSA-N 1 1 263.381 3.639 40 0 CHABMO CC[N@H+]1CCC[C@H]1c1cccnc1SC(C)C ZINC000072217533 256709164 /nfs/dbraw/zinc/70/91/64/256709164.db2.gz KUJSNLZMMNYOPE-ZDUSSCGKSA-N 1 1 250.411 3.739 40 0 CHABMO CN(c1ccccc1)c1ccc([C@H]2CCC[N@H+]2C)cn1 ZINC000072214183 256711883 /nfs/dbraw/zinc/71/18/83/256711883.db2.gz NZTASPBDOPFPFL-MRXNPFEDSA-N 1 1 267.376 3.616 40 0 CHABMO c1cnc2c(c1)cccc2OC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000004731343 170007374 /nfs/dbraw/zinc/00/73/74/170007374.db2.gz YTPGZPIZLZHNLJ-IAGOWNOFSA-N 1 1 296.414 3.878 40 0 biogenic,in-vitro CHABMO O[C@H](/C=C\c1ccccc1)CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1 ZINC000004934854 170042397 /nfs/dbraw/zinc/04/23/97/170042397.db2.gz JYGDXORVNYESLN-LZZOGUTLSA-N 1 1 285.431 3.573 40 0 CHABMO CC[C@@]1(O)C[C@@H]2c3ccccc3CC[N@H+]2C[C@@H]1CC(C)C ZINC000005063194 170062776 /nfs/dbraw/zinc/06/27/76/170062776.db2.gz RYNPJUSOZNBQIE-QXAKKESOSA-N 1 1 287.447 3.793 40 0 CHABMO C[N@@H+]1CCc2[nH]c3ccc(OCc4ccccc4)cc3c2C1 ZINC000008375985 170333925 /nfs/dbraw/zinc/33/39/25/170333925.db2.gz HBRJVFXVZGIHPA-UHFFFAOYSA-N 1 1 292.382 3.735 40 0 CHABMO C[N@H+]1CCc2[nH]c3ccc(OCc4ccccc4)cc3c2C1 ZINC000008375985 170333927 /nfs/dbraw/zinc/33/39/27/170333927.db2.gz HBRJVFXVZGIHPA-UHFFFAOYSA-N 1 1 292.382 3.735 40 0 CHABMO CC(C)[N@H+]1CC[C@H](c2nc3cc(C(F)(F)F)ccc3[nH]2)C1 ZINC000035446719 172202713 /nfs/dbraw/zinc/20/27/13/172202713.db2.gz PENGICADZKDUAF-JTQLQIEISA-N 1 1 297.324 3.779 40 0 biogenic,in-vitro CHABMO CC(C)[N@@H+]1CC[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)C1 ZINC000035446719 172202718 /nfs/dbraw/zinc/20/27/18/172202718.db2.gz PENGICADZKDUAF-JTQLQIEISA-N 1 1 297.324 3.779 40 0 biogenic,in-vitro CHABMO CC(C)[N@H+]1CC[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)C1 ZINC000035446719 172202720 /nfs/dbraw/zinc/20/27/20/172202720.db2.gz PENGICADZKDUAF-JTQLQIEISA-N 1 1 297.324 3.779 40 0 biogenic,in-vitro CHABMO C[N@H+]1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000072348554 176373587 /nfs/dbraw/zinc/37/35/87/176373587.db2.gz QQFZQZVZFZVBAY-CQSZACIVSA-N 1 1 270.351 3.697 40 0 CHABMO C[N@H+]1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072348552 176373858 /nfs/dbraw/zinc/37/38/58/176373858.db2.gz ARBLLYOSWTUVJU-CYBMUJFWSA-N 1 1 270.351 3.697 40 0 CHABMO Clc1ccccc1C[N@@H+]1CCCC[C@@H]1c1ccncn1 ZINC000072384976 176388845 /nfs/dbraw/zinc/38/88/45/176388845.db2.gz BAKLKTNEDOFFLA-MRXNPFEDSA-N 1 1 287.794 3.857 40 0 CHABMO Clc1ccccc1C[N@H+]1CCCC[C@@H]1c1ccncn1 ZINC000072384976 176388846 /nfs/dbraw/zinc/38/88/46/176388846.db2.gz BAKLKTNEDOFFLA-MRXNPFEDSA-N 1 1 287.794 3.857 40 0 CHABMO C[C@@H]1CCC[C@@H](C)N1CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000114718903 260567044 /nfs/dbraw/zinc/56/70/44/260567044.db2.gz RVIVTMWGPRUAIG-FPCVCCKLSA-N 1 1 252.446 3.512 40 0 CHABMO C[C@@H]1CCC[C@H](C)N1CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000114718903 260567045 /nfs/dbraw/zinc/56/70/45/260567045.db2.gz RVIVTMWGPRUAIG-FPCVCCKLSA-N 1 1 252.446 3.512 40 0 CHABMO Cc1ccsc1C[N@H+](Cc1cccs1)C[C@@H](C)O ZINC000013991346 567912300 /nfs/dbraw/zinc/91/23/00/567912300.db2.gz LAEMBVJICWTPIR-GFCCVEGCSA-N 1 1 281.446 3.501 40 0 CHABMO CCSc1ncccc1[C@H]1CCC[N@H+]1C(C)C ZINC000072217181 567920876 /nfs/dbraw/zinc/92/08/76/567920876.db2.gz QYFNRYJOGHHVLV-CYBMUJFWSA-N 1 1 250.411 3.739 40 0 CHABMO C(OC1CCCCC1)[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000000035443 567816772 /nfs/dbraw/zinc/81/67/72/567816772.db2.gz DBTLXFQLEFJHCH-GDBMZVCRSA-N 1 1 251.414 3.600 40 0 biogenic,in-vitro CHABMO O=C(c1ccccc1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000001585572 567838684 /nfs/dbraw/zinc/83/86/84/567838684.db2.gz ZONSOLSUMGWIOY-LJQANCHMSA-N 1 1 293.410 3.824 40 0 CHABMO CC(C)C(=O)OC1(C[C@@H]2CCCC[N@H+]2C)CCCCC1 ZINC000002048283 567844530 /nfs/dbraw/zinc/84/45/30/567844530.db2.gz CKEBQOGILHINAE-HNNXBMFYSA-N 1 1 281.440 3.763 40 0 CHABMO Oc1cccc([C@@]23CCCC[C@H]2C[N@@H+](CC2CC2)CC3)c1 ZINC000003776671 567853407 /nfs/dbraw/zinc/85/34/07/567853407.db2.gz KFIQKMINEHFZSM-HKUYNNGSSA-N 1 1 285.431 3.936 40 0 in-man CHABMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2ccn(C)n2)cc1 ZINC000012154146 567862303 /nfs/dbraw/zinc/86/23/03/567862303.db2.gz YPBUIPGXXNOZAN-SFHVURJKSA-N 1 1 299.418 3.546 40 0 CHABMO Cc1cc([C@@H]2CCCCC[N@H+]2Cc2ccc(O)cc2)on1 ZINC000019120267 567877644 /nfs/dbraw/zinc/87/76/44/567877644.db2.gz VHROQJNJJAILJG-INIZCTEOSA-N 1 1 286.375 3.806 40 0 CHABMO CCCCCC[C@H](C[NH+]1CCCC1)N1CCCC1 ZINC000043752073 567906629 /nfs/dbraw/zinc/90/66/29/567906629.db2.gz BPPURDXHUMCGDJ-MRXNPFEDSA-N 1 1 252.446 3.517 40 0 CHABMO S=C1O[NH+]=C(c2ccccc2)C1=CNc1ccccc1 ZINC000104274885 567916576 /nfs/dbraw/zinc/91/65/76/567916576.db2.gz AQFLHTGXSAAFMM-SDNWHVSQSA-N 1 1 280.352 3.744 40 0 CHABMO CCOc1ncccc1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072211861 567917491 /nfs/dbraw/zinc/91/74/91/567917491.db2.gz ILNUDXWJUZUNGI-HNNXBMFYSA-N 1 1 262.397 3.663 40 0 CHABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(Cl)nc1 ZINC000072211465 567917654 /nfs/dbraw/zinc/91/76/54/567917654.db2.gz NXMZQKFCVOUEDO-CYBMUJFWSA-N 1 1 252.789 3.918 40 0 CHABMO Cc1cncc([C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000072211333 567917796 /nfs/dbraw/zinc/91/77/96/567917796.db2.gz WGQOXVXOBQPHQV-QGZVFWFLSA-N 1 1 252.361 3.727 40 0 CHABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1N(CC)CC ZINC000072212901 567918019 /nfs/dbraw/zinc/91/80/19/567918019.db2.gz ILACHNVAPFDVAQ-MRXNPFEDSA-N 1 1 275.440 3.865 40 0 CHABMO CN(C)c1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072212622 567918354 /nfs/dbraw/zinc/91/83/54/567918354.db2.gz GETLSQLLUGEROE-SFHVURJKSA-N 1 1 295.430 3.875 40 0 CHABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1NC1CC1 ZINC000072213724 567918911 /nfs/dbraw/zinc/91/89/11/567918911.db2.gz RDIAZRXASJIBCR-HNNXBMFYSA-N 1 1 259.397 3.593 40 0 CHABMO CC[C@@H](C)Nc1ncccc1[C@@H]1CCCC[N@H+]1CC ZINC000072213421 567918922 /nfs/dbraw/zinc/91/89/22/567918922.db2.gz XBZOOGRKJNEXNL-HIFRSBDPSA-N 1 1 261.413 3.839 40 0 CHABMO C[N@H+]1CCCC[C@@H]1c1cccnc1NC1CCCCC1 ZINC000072214032 567919742 /nfs/dbraw/zinc/91/97/42/567919742.db2.gz IPXXQBCSVKDNDW-MRXNPFEDSA-N 1 1 273.424 3.983 40 0 CHABMO COc1cc(C)c([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072218005 567920210 /nfs/dbraw/zinc/92/02/10/567920210.db2.gz IHSBZHOZMLNGCR-KRWDZBQOSA-N 1 1 282.387 3.736 40 0 CHABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1N1CCCC1 ZINC000072215988 567920290 /nfs/dbraw/zinc/92/02/90/567920290.db2.gz ASMHQXCDBNWZIE-INIZCTEOSA-N 1 1 273.424 3.619 40 0 CHABMO CC(C)[N@H+]1CCCC[C@@H]1c1cccnc1N1CCCC1 ZINC000072216002 567920633 /nfs/dbraw/zinc/92/06/33/567920633.db2.gz RWFJJKPFLDBUNH-MRXNPFEDSA-N 1 1 273.424 3.617 40 0 CHABMO CCCC[N@H+]1CCC[C@H]1c1ccc(=S)[nH]c1C ZINC000072218386 567921190 /nfs/dbraw/zinc/92/11/90/567921190.db2.gz PLIIWULWBBMCPK-ZDUSSCGKSA-N 1 1 250.411 3.616 40 0 CHABMO CCSc1ncccc1[C@@H]1CCCC[N@H+]1CC ZINC000072217198 567921283 /nfs/dbraw/zinc/92/12/83/567921283.db2.gz SEWFQQDOTVLJDK-ZDUSSCGKSA-N 1 1 250.411 3.741 40 0 CHABMO CNc1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)c(C)[nH+]1 ZINC000072219098 567921675 /nfs/dbraw/zinc/92/16/75/567921675.db2.gz DUWMUFVIIXPPGU-CYBMUJFWSA-N 1 1 291.395 3.504 40 0 CHABMO CC[N@H+]1CCCC[C@H]1c1cnc(N2CCCC2)cc1C ZINC000072218877 567921805 /nfs/dbraw/zinc/92/18/05/567921805.db2.gz YZSNRHOBRDSALU-INIZCTEOSA-N 1 1 273.424 3.537 40 0 CHABMO Cc1nc(N(C)C)ccc1[C@H]1CCCC[N@@H+]1CC(C)C ZINC000072218763 567921938 /nfs/dbraw/zinc/92/19/38/567921938.db2.gz LEHNCYWRCSOTHX-MRXNPFEDSA-N 1 1 275.440 3.639 40 0 CHABMO Cc1[nH+]c(NC(C)(C)C)ccc1[C@@H](O)c1ccccc1 ZINC000072225017 567922570 /nfs/dbraw/zinc/92/25/70/567922570.db2.gz DFBQHKQEZPNTBC-INIZCTEOSA-N 1 1 270.376 3.682 40 0 CHABMO Cc1cc(N2CCCCCC2)[nH+]cc1[C@@H](O)c1ccccc1 ZINC000072223529 567922700 /nfs/dbraw/zinc/92/27/00/567922700.db2.gz SZBDFTNEKINXTN-IBGZPJMESA-N 1 1 296.414 3.852 40 0 CHABMO c1ccc2c(c1)[nH]c1c2CC[N@H+]2C[C@H]3CC=CC[C@@H]3[C@H]12 ZINC000004026243 567932414 /nfs/dbraw/zinc/93/24/14/567932414.db2.gz OUQFYCOJMMHQMV-FHSNZYRGSA-N 1 1 264.372 3.663 40 0 CHABMO c1ccc2c(c1)[nH]c1c2CC[N@H+]2C[C@H]3CC=CC[C@@H]3[C@@H]12 ZINC000004026242 567932454 /nfs/dbraw/zinc/93/24/54/567932454.db2.gz OUQFYCOJMMHQMV-VBHSOAQHSA-N 1 1 264.372 3.663 40 0 CHABMO c1ccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000004315324 567944071 /nfs/dbraw/zinc/94/40/71/567944071.db2.gz MKYUXEIGGMADKP-MRXNPFEDSA-N 1 1 291.398 3.943 40 0 CHABMO Cc1ccc(C[N@H+]2CCCC[C@H]2c2ccncn2)cc1 ZINC000257234328 190017340 /nfs/dbraw/zinc/01/73/40/190017340.db2.gz GTAGFRXLSYQFJS-KRWDZBQOSA-N 1 1 267.376 3.512 40 0 CHABMO Cc1cc(N2CCCC2)ncc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072218860 256707369 /nfs/dbraw/zinc/70/73/69/256707369.db2.gz IGWTYMXQMZRNKD-MRXNPFEDSA-N 1 1 273.424 3.536 40 0 CHABMO Cc1cc(Nc2ccc(Oc3ccccc3)cc2)nc(N)[nH+]1 ZINC000038316355 174139729 /nfs/dbraw/zinc/13/97/29/174139729.db2.gz WJMQRNLCNFCILM-UHFFFAOYSA-N 1 1 292.342 3.903 40 0 CHABMO CCCOc1ccc(CNc2[nH+]cccc2C)cc1 ZINC000072226348 176343282 /nfs/dbraw/zinc/34/32/82/176343282.db2.gz GABPCDFDXBYENV-UHFFFAOYSA-N 1 1 256.349 3.791 40 0 CHABMO C[N@H+]1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 ZINC000072357516 176376272 /nfs/dbraw/zinc/37/62/72/176376272.db2.gz UGDQORHOTIQOQM-KRWDZBQOSA-N 1 1 270.351 3.578 40 0 CHABMO Cc1nccc([C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000072379981 176387269 /nfs/dbraw/zinc/38/72/69/176387269.db2.gz BEBAXZNQMAUMHS-KRWDZBQOSA-N 1 1 285.366 3.651 40 0 CHABMO Cc1nccc([C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000072379981 176387270 /nfs/dbraw/zinc/38/72/70/176387270.db2.gz BEBAXZNQMAUMHS-KRWDZBQOSA-N 1 1 285.366 3.651 40 0 CHABMO OC[C@H](c1ccc(Cl)cc1Cl)[NH+]1CCCCC1 ZINC000070452969 567115144 /nfs/dbraw/zinc/11/51/44/567115144.db2.gz QVAVWXHBHQQTOB-CYBMUJFWSA-N 1 1 274.191 3.513 40 0 CHABMO O=C1CCC[C@@H]1[C@@H]1CCCCC[N@H+]1Cc1ccccc1 ZINC000217464416 567170255 /nfs/dbraw/zinc/17/02/55/567170255.db2.gz OMWBVERYXPTJQI-SJORKVTESA-N 1 1 271.404 3.800 40 0 CHABMO C[N@H+]1CCC2=C(c3ccccc3)c3ccccc3[C@@H]2C1 ZINC000001595112 567838954 /nfs/dbraw/zinc/83/89/54/567838954.db2.gz JNDASOYIKNULGB-SFHVURJKSA-N 1 1 261.368 3.921 40 0 CHABMO O[C@H](CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(Cl)cc1 ZINC000001615839 567839429 /nfs/dbraw/zinc/83/94/29/567839429.db2.gz KHKONORVTCGPCB-GRDNDAEWSA-N 1 1 293.838 3.886 40 0 CHABMO CC[NH+](CC)CCNc1c(C)cnc2cc(Cl)ccc21 ZINC000001712667 567842129 /nfs/dbraw/zinc/84/21/29/567842129.db2.gz SBBMENYDDCDCRR-UHFFFAOYSA-N 1 1 291.826 3.950 40 0 CHABMO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000012284622 567862590 /nfs/dbraw/zinc/86/25/90/567862590.db2.gz COBHCYTXHPGGSR-KRWDZBQOSA-N 1 1 294.398 3.537 40 0 CHABMO C[C@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000014193761 567868768 /nfs/dbraw/zinc/86/87/68/567868768.db2.gz WBAUQFATUPQGAL-NSHDSACASA-N 1 1 268.198 3.681 40 0 CHABMO Cn1ccc([C@@H]2CCCCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000019291073 567877284 /nfs/dbraw/zinc/87/72/84/567877284.db2.gz ZYUZDVUVYWQOTJ-KRWDZBQOSA-N 1 1 287.382 3.677 40 0 CHABMO Cn1ccc([C@@H]2CCCCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000019291073 567877285 /nfs/dbraw/zinc/87/72/85/567877285.db2.gz ZYUZDVUVYWQOTJ-KRWDZBQOSA-N 1 1 287.382 3.677 40 0 CHABMO Cn1ccc([C@@H]2CCCCC[N@@H+]2Cc2cccc(F)c2)n1 ZINC000019291082 567877596 /nfs/dbraw/zinc/87/75/96/567877596.db2.gz DOEWEXJFCIZZGY-KRWDZBQOSA-N 1 1 287.382 3.677 40 0 CHABMO Cn1ccc([C@@H]2CCCCC[N@H+]2Cc2cccc(F)c2)n1 ZINC000019291082 567877598 /nfs/dbraw/zinc/87/75/98/567877598.db2.gz DOEWEXJFCIZZGY-KRWDZBQOSA-N 1 1 287.382 3.677 40 0 CHABMO C[N@@H+]1CC=C(c2nc3c(cccc3Cl)s2)CC1 ZINC000073638858 567893657 /nfs/dbraw/zinc/89/36/57/567893657.db2.gz JUAUDJXUYBEPFP-UHFFFAOYSA-N 1 1 264.781 3.669 40 0 CHABMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072211769 567917547 /nfs/dbraw/zinc/91/75/47/567917547.db2.gz BEERZAFPMBKYJD-QGZVFWFLSA-N 1 1 282.387 3.817 40 0 CHABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(OC(C)C)nc1 ZINC000072211904 567917935 /nfs/dbraw/zinc/91/79/35/567917935.db2.gz PXBCMBPYZHHYEH-OAHLLOKOSA-N 1 1 262.397 3.806 40 0 CHABMO CC[N@H+]1CCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212070 567918322 /nfs/dbraw/zinc/91/83/22/567918322.db2.gz FIQUTTFKMAYIAA-QGZVFWFLSA-N 1 1 282.387 3.817 40 0 CHABMO c1ccc(C[N@H+]2CCC[C@@H]2c2ccc(NC3CC3)nc2)cc1 ZINC000072213767 567918780 /nfs/dbraw/zinc/91/87/80/567918780.db2.gz WBMAGXOKSLEVFQ-GOSISDBHSA-N 1 1 293.414 3.993 40 0 CHABMO CC[C@H](C)Nc1ncccc1[C@H]1CCC[N@H+]1C(C)C ZINC000072213394 567918796 /nfs/dbraw/zinc/91/87/96/567918796.db2.gz KLGIBIMDMHAGNL-DZGCQCFKSA-N 1 1 261.413 3.837 40 0 CHABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1NC1CCC1 ZINC000072213902 567918826 /nfs/dbraw/zinc/91/88/26/567918826.db2.gz XRXHOJVCUNHNRM-INIZCTEOSA-N 1 1 273.424 3.839 40 0 CHABMO CC[C@H](C)Nc1ncccc1[C@@H]1CCCC[N@H+]1CC ZINC000072213422 567918844 /nfs/dbraw/zinc/91/88/44/567918844.db2.gz XBZOOGRKJNEXNL-ZFWWWQNUSA-N 1 1 261.413 3.839 40 0 CHABMO CCC[N@H+]1CCC[C@@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213959 567918939 /nfs/dbraw/zinc/91/89/39/567918939.db2.gz MUZGPACWTJGUJA-MRXNPFEDSA-N 1 1 273.424 3.983 40 0 CHABMO CC[N@H+]1CCC[C@@H]1c1cccnc1NC1CCCCC1 ZINC000072214009 567919166 /nfs/dbraw/zinc/91/91/66/567919166.db2.gz VONDLGQMKYSNBC-MRXNPFEDSA-N 1 1 273.424 3.983 40 0 CHABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(NC2CC2)nc1 ZINC000072213802 567919265 /nfs/dbraw/zinc/91/92/65/567919265.db2.gz OFMBPYTWFHKRAU-MRXNPFEDSA-N 1 1 273.424 3.983 40 0 CHABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1N1CCCCC1 ZINC000072216106 567920116 /nfs/dbraw/zinc/92/01/16/567920116.db2.gz ZUVOQWPMFPTQOJ-KRWDZBQOSA-N 1 1 287.451 3.865 40 0 CHABMO CC(C)Sc1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC000072217496 567920198 /nfs/dbraw/zinc/92/01/98/567920198.db2.gz QGUAIHZMVMVIPM-CYBMUJFWSA-N 1 1 250.411 3.739 40 0 CHABMO Cc1cc([C@@H]2CCCC[N@@H+]2CC(C)C)c[nH]c1=S ZINC000072218282 567920959 /nfs/dbraw/zinc/92/09/59/567920959.db2.gz CMWQRSIEFRGMAU-AWEZNQCLSA-N 1 1 264.438 3.862 40 0 CHABMO CCC[N@H+]1CCCC[C@H]1c1ccc(=S)[nH]c1C ZINC000072218399 567921128 /nfs/dbraw/zinc/92/11/28/567921128.db2.gz SJBJHVZIQGJWNC-ZDUSSCGKSA-N 1 1 250.411 3.616 40 0 CHABMO CCCC[N@H+]1CCC[C@H]1c1c[nH]c(=S)c(C)c1 ZINC000072218266 567921313 /nfs/dbraw/zinc/92/13/13/567921313.db2.gz VNMOGWIENVPLDT-ZDUSSCGKSA-N 1 1 250.411 3.616 40 0 CHABMO S=c1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)c[nH]1 ZINC000072216990 567921387 /nfs/dbraw/zinc/92/13/87/567921387.db2.gz ONIYTUUGSULYPD-OAHLLOKOSA-N 1 1 270.401 3.707 40 0 CHABMO CSc1ncccc1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072216964 567921417 /nfs/dbraw/zinc/92/14/17/567921417.db2.gz IKXRTGUYNPYBCK-AWEZNQCLSA-N 1 1 264.438 3.987 40 0 CHABMO CCC[N@H+]1CCCC[C@H]1c1cnc(N2CCCC2)cc1C ZINC000072218879 567921561 /nfs/dbraw/zinc/92/15/61/567921561.db2.gz HOSRDVYCYHVWGG-KRWDZBQOSA-N 1 1 287.451 3.927 40 0 CHABMO CCCC[N@H+]1CCCC[C@H]1c1cnc(N(C)C)cc1C ZINC000072218705 567921973 /nfs/dbraw/zinc/92/19/73/567921973.db2.gz FXSICGKCPXRCTN-INIZCTEOSA-N 1 1 275.440 3.783 40 0 CHABMO COc1cccc(OC)c1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072221441 567922172 /nfs/dbraw/zinc/92/21/72/567922172.db2.gz WULYAXYJAFCRGZ-AWEZNQCLSA-N 1 1 277.408 3.887 40 0 CHABMO C[C@@H]1C[N@H+](C)C[C@H](C)[C@@]1(O)CCc1ccc2ccccc2c1 ZINC000253603424 567930678 /nfs/dbraw/zinc/93/06/78/567930678.db2.gz KMNOSAADKQHMHJ-CWPLJXCYSA-N 1 1 297.442 3.721 40 0 CHABMO C[N@H+](CC(=O)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000057497496 567948347 /nfs/dbraw/zinc/94/83/47/567948347.db2.gz JRBKZWUVGVMEAX-UHFFFAOYSA-N 1 1 273.763 3.655 40 0 CHABMO C[N@@H+](CC(=O)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000057497496 567948348 /nfs/dbraw/zinc/94/83/48/567948348.db2.gz JRBKZWUVGVMEAX-UHFFFAOYSA-N 1 1 273.763 3.655 40 0 CHABMO C[C@H]1CCC[C@H](N2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC000224087230 567951205 /nfs/dbraw/zinc/95/12/05/567951205.db2.gz PRIBEPJSCZVEBS-KSZLIROESA-N 1 1 276.468 3.539 40 0 CHABMO CCCN(Cc1cccnc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000013992642 570285196 /nfs/dbraw/zinc/28/51/96/570285196.db2.gz PMKJORXNYKOQLX-UHFFFAOYSA-N 1 1 289.467 3.603 40 0 CHABMO CC[NH2+][C@@H](c1ccccc1)P(=O)(OCC)OCC ZINC000090460004 570352488 /nfs/dbraw/zinc/35/24/88/570352488.db2.gz PKVYTCDYMVCIBP-CYBMUJFWSA-N 1 1 271.297 3.561 40 0 CHABMO CC(=O)OCC[C@H](C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000001726039 570383627 /nfs/dbraw/zinc/38/36/27/570383627.db2.gz RWYJEGDSGDASIB-JTQLQIEISA-N 1 1 292.766 3.642 40 0 CHABMO Cc1nc(NC(C)C)cc(N2Cc3ccccc3C[C@H]2C)[nH+]1 ZINC000329006755 136377443 /nfs/dbraw/zinc/37/74/43/136377443.db2.gz LEGDZCPYMCIQPR-CYBMUJFWSA-N 1 1 296.418 3.557 40 0 CHABMO CCCC[C@@H](CC)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000225118482 189744225 /nfs/dbraw/zinc/74/42/25/189744225.db2.gz WJKQPYGPWQFUOP-WBVHZDCISA-N 1 1 290.451 3.622 40 0 CHABMO Cc1nc([C@]2(C)CCC[N@H+](CC(C)C)C2)c2sccn12 ZINC000257301432 190030580 /nfs/dbraw/zinc/03/05/80/190030580.db2.gz RYKNEYGQKJDPMA-MRXNPFEDSA-N 1 1 291.464 3.714 40 0 CHABMO C[N@H+]1CCC[C@H]1c1cccnc1NC1CCCCC1 ZINC000072214004 256711824 /nfs/dbraw/zinc/71/18/24/256711824.db2.gz ZWMHTWULULHERO-HNNXBMFYSA-N 1 1 259.397 3.593 40 0 CHABMO Cc1ccc2ccccc2c1NC(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000004903220 170038992 /nfs/dbraw/zinc/03/89/92/170038992.db2.gz OPROEDYFLGAFMN-AWEZNQCLSA-N 1 1 296.414 3.819 40 0 CHABMO CC[C@]1(O)C[C@H]2c3ccccc3CC[N@H+]2C[C@@H]1CC(C)C ZINC000005063195 170062598 /nfs/dbraw/zinc/06/25/98/170062598.db2.gz RYNPJUSOZNBQIE-WDSOQIARSA-N 1 1 287.447 3.793 40 0 CHABMO O[C@H](C[NH+]1CCCCC1)c1cc(Cl)cc(Cl)c1 ZINC000006524438 170209795 /nfs/dbraw/zinc/20/97/95/170209795.db2.gz NWESNANXXUZJMA-CYBMUJFWSA-N 1 1 274.191 3.513 40 0 CHABMO Clc1ccc(C[NH2+]Cc2ccncc2)c(Cl)c1 ZINC000008418060 170335643 /nfs/dbraw/zinc/33/56/43/170335643.db2.gz JOUKOVXOOYJZSX-UHFFFAOYSA-N 1 1 267.159 3.678 40 0 CHABMO COc1ccccc1-c1cccc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072348555 176373620 /nfs/dbraw/zinc/37/36/20/176373620.db2.gz VUHCJFPZTHNUJI-AWEZNQCLSA-N 1 1 282.387 3.566 40 0 CHABMO CCCNc1ncccc1[C@@H]1CCCC[N@H+]1CCC ZINC000072213152 567918089 /nfs/dbraw/zinc/91/80/89/567918089.db2.gz VCXJHTFDJVRVOF-HNNXBMFYSA-N 1 1 261.413 3.841 40 0 CHABMO C[C@H]1CCC[C@H](N2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC000019900122 566924656 /nfs/dbraw/zinc/92/46/56/566924656.db2.gz PRIBEPJSCZVEBS-BZSNNMDCSA-N 1 1 276.468 3.539 40 0 CHABMO CCC[NH2+][C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000575598454 566944409 /nfs/dbraw/zinc/94/44/09/566944409.db2.gz ALSYVNZHMWPPNW-OAHLLOKOSA-N 1 1 265.784 3.678 40 0 in-vitro CHABMO CCC[N@@H+](CC)[C@@H](CC)C(=O)Nc1c(C)cccc1C ZINC000000000276 567816587 /nfs/dbraw/zinc/81/65/87/567816587.db2.gz VTUSIVBDOCDNHS-HNNXBMFYSA-N 1 1 276.424 3.752 40 0 world CHABMO C[C@H]1C[C@@]2(C[C@H](C)[N@H+](C)C[C@@H]2C)Nc2ccccc21 ZINC000000333858 567825694 /nfs/dbraw/zinc/82/56/94/567825694.db2.gz DSXWYDFCIRWJDM-WSMBLCCSSA-N 1 1 258.409 3.705 40 0 CHABMO CC[C@H](O)C[N@@H+](C)Cc1cc2c(c3ccccc13)CCCC2 ZINC000001592052 567839084 /nfs/dbraw/zinc/83/90/84/567839084.db2.gz QDDATMKERRMHIA-KRWDZBQOSA-N 1 1 297.442 3.921 40 0 CHABMO CC[C@H]1C[C@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@H+](C2)[C@@H]31 ZINC000001619757 567839708 /nfs/dbraw/zinc/83/97/08/567839708.db2.gz LRLCVRYKAFDXKU-LKTHJCGVSA-N 1 1 280.415 3.928 40 0 biogenic,in-vitro CHABMO c1ccc(N2CC[NH+]([C@@]34CCCC[C@@H]3CC=CO4)CC2)cc1 ZINC000001706586 567842089 /nfs/dbraw/zinc/84/20/89/567842089.db2.gz CYUSZIDJYHFRGG-IEBWSBKVSA-N 1 1 298.430 3.629 40 0 CHABMO Cc1nc([C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccn12 ZINC000019240706 567877393 /nfs/dbraw/zinc/87/73/93/567877393.db2.gz CUIGKZXKLSJFLD-KRWDZBQOSA-N 1 1 291.398 3.632 40 0 CHABMO COc1cc2c(c(Oc3ccc(C)cc3)c1)C[N@H+](C)CC2 ZINC000031949314 567885662 /nfs/dbraw/zinc/88/56/62/567885662.db2.gz OLSLMBONCIOWEE-UHFFFAOYSA-N 1 1 283.371 3.784 40 0 CHABMO COc1cc2c(c(Oc3ccc(C)cc3)c1)C[N@@H+](C)CC2 ZINC000031949314 567885663 /nfs/dbraw/zinc/88/56/63/567885663.db2.gz OLSLMBONCIOWEE-UHFFFAOYSA-N 1 1 283.371 3.784 40 0 CHABMO COc1cccc(C(=O)[C@H](C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000077028766 567890526 /nfs/dbraw/zinc/89/05/26/567890526.db2.gz LPCUZXHCGXGQPJ-OAHLLOKOSA-N 1 1 297.398 3.646 40 0 CHABMO CCC[N@@H+]1CC=C(c2nc3cc(C)cc(C)c3o2)CC1 ZINC000073636278 567892980 /nfs/dbraw/zinc/89/29/80/567892980.db2.gz ZJFSLTUFSPBRTD-UHFFFAOYSA-N 1 1 270.376 3.944 40 0 CHABMO Cc1cc[nH+]c(NCc2ccccc2Br)c1 ZINC000049942923 567905784 /nfs/dbraw/zinc/90/57/84/567905784.db2.gz COYNSAOGBTWJPJ-UHFFFAOYSA-N 1 1 277.165 3.765 40 0 CHABMO CCCC[N@H+]1CCC[C@H]1c1ccc(OC(C)C)nc1 ZINC000072211905 567917877 /nfs/dbraw/zinc/91/78/77/567917877.db2.gz PXBCMBPYZHHYEH-HNNXBMFYSA-N 1 1 262.397 3.806 40 0 CHABMO CCN(CC)c1ncccc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072212917 567918535 /nfs/dbraw/zinc/91/85/35/567918535.db2.gz JUEIRAGVQPAVOU-MRXNPFEDSA-N 1 1 275.440 3.863 40 0 CHABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(NC2CCC2)nc1 ZINC000072213842 567919022 /nfs/dbraw/zinc/91/90/22/567919022.db2.gz LZIXCZIKSQVMAM-INIZCTEOSA-N 1 1 273.424 3.839 40 0 CHABMO CC[N@H+]1CCCC[C@@H]1c1ccc(NC2CCC2)nc1 ZINC000072213854 567919387 /nfs/dbraw/zinc/91/93/87/567919387.db2.gz YNSLOTZERRBIHA-OAHLLOKOSA-N 1 1 259.397 3.593 40 0 CHABMO C[N@H+]1CCCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214393 567919439 /nfs/dbraw/zinc/91/94/39/567919439.db2.gz GICYPCORBSSIND-CYBMUJFWSA-N 1 1 291.395 3.585 40 0 CHABMO C[N@H+]1CCCC[C@@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214092 567919643 /nfs/dbraw/zinc/91/96/43/567919643.db2.gz KQFYUUSNMBEMMT-MRXNPFEDSA-N 1 1 267.376 3.982 40 0 CHABMO C[N@H+]1CCCC[C@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216657 567920130 /nfs/dbraw/zinc/92/01/30/567920130.db2.gz JSZKNZWRGNWSBD-INIZCTEOSA-N 1 1 273.424 3.619 40 0 CHABMO C[N@H+]1CCCC[C@@H]1c1cccnc1N1CCCCCC1 ZINC000072216716 567920188 /nfs/dbraw/zinc/92/01/88/567920188.db2.gz NFNINGTYYYOWGT-MRXNPFEDSA-N 1 1 273.424 3.619 40 0 CHABMO CCC[N@H+]1CCC[C@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216044 567920557 /nfs/dbraw/zinc/92/05/57/567920557.db2.gz QNOUUIAADGOAQS-INIZCTEOSA-N 1 1 273.424 3.619 40 0 CHABMO CC(C)[N@H+]1CCCC[C@H]1c1cccnc1N1CCCC1 ZINC000072216003 567920762 /nfs/dbraw/zinc/92/07/62/567920762.db2.gz RWFJJKPFLDBUNH-INIZCTEOSA-N 1 1 273.424 3.617 40 0 CHABMO CCC[N@H+]1CCC[C@@H]1c1cccnc1SCC ZINC000072217182 567921336 /nfs/dbraw/zinc/92/13/36/567921336.db2.gz NRNJUOHPUWCFMS-CYBMUJFWSA-N 1 1 250.411 3.741 40 0 CHABMO Oc1cccc([C@@]23CCCC[C@@H]2C[N@@H+](CC2CC2)CC3)c1 ZINC000011678382 570220149 /nfs/dbraw/zinc/22/01/49/570220149.db2.gz KFIQKMINEHFZSM-MJGOQNOKSA-N 1 1 285.431 3.936 40 0 CHABMO Nc1c(-c2ccc(C(F)(F)F)cc2)[nH+]c2ccccn12 ZINC000035959198 570233035 /nfs/dbraw/zinc/23/30/35/570233035.db2.gz DJPWYKDDZMPEJF-UHFFFAOYSA-N 1 1 277.249 3.602 40 0 CHABMO CC[C@@H](C)Nc1nc(N2Cc3ccccc3C[C@H]2C)cc[nH+]1 ZINC000328964612 1125450666 /nfs/dbraw/zinc/45/06/66/1125450666.db2.gz BXDADZBKBBEKEK-ZIAGYGMSSA-N 1 1 296.418 3.638 40 0 CHABMO C[C@H]1CCCC[N@H+]1CCCCOc1ccccc1C=O ZINC000217796020 230396761 /nfs/dbraw/zinc/39/67/61/230396761.db2.gz WMIWTTWSWAXQPG-HNNXBMFYSA-N 1 1 275.392 3.533 40 0 CHABMO C[C@H]1CCCC[C@H]1N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000224082183 189740927 /nfs/dbraw/zinc/74/09/27/189740927.db2.gz ADQAWJJCVOTDOE-RCCFBDPRSA-N 1 1 276.468 3.539 40 0 CHABMO CC(C)[N@H+]1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257262231 190022124 /nfs/dbraw/zinc/02/21/24/190022124.db2.gz LKRCAOHABPXQBC-MRXNPFEDSA-N 1 1 288.366 3.950 40 0 CHABMO C[N@H+]1CCC[C@@H]1c1cccnc1Nc1ccccc1 ZINC000072214123 256712199 /nfs/dbraw/zinc/71/21/99/256712199.db2.gz CIIHZEFUUKFYLH-OAHLLOKOSA-N 1 1 253.349 3.592 40 0 CHABMO CCCNc1ncccc1[C@H]1CCCC[N@H+]1CCC ZINC000072213153 256712780 /nfs/dbraw/zinc/71/27/80/256712780.db2.gz VCXJHTFDJVRVOF-OAHLLOKOSA-N 1 1 261.413 3.841 40 0 CHABMO CC(C)N(c1ccc([C@H]2CCCC[N@H+]2C)cn1)C(C)C ZINC000072212971 256713830 /nfs/dbraw/zinc/71/38/30/256713830.db2.gz NSIKWAUSYNIPQK-MRXNPFEDSA-N 1 1 275.440 3.862 40 0 CHABMO CC[C@@]1(O)C[C@H]2c3ccccc3CC[N@H+]2C[C@@H]1CC(C)C ZINC000005063196 170062720 /nfs/dbraw/zinc/06/27/20/170062720.db2.gz RYNPJUSOZNBQIE-YTQUADARSA-N 1 1 287.447 3.793 40 0 CHABMO O=C(c1ccccc1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000005551458 170112264 /nfs/dbraw/zinc/11/22/64/170112264.db2.gz ZONSOLSUMGWIOY-IBGZPJMESA-N 1 1 293.410 3.824 40 0 CHABMO C[N@H+]1[C@@H](c2ccccc2)CC(O)C[C@H]1c1ccccc1 ZINC000008616952 170343113 /nfs/dbraw/zinc/34/31/13/170343113.db2.gz CVCRCZBXPUGBNK-AYHJJNSGSA-N 1 1 267.372 3.556 40 0 CHABMO Clc1ccc(CNc2[nH]c3ccccc3[nH+]2)cc1 ZINC000008701365 170347266 /nfs/dbraw/zinc/34/72/66/170347266.db2.gz GNCUDHLBPMQNEJ-UHFFFAOYSA-N 1 1 257.724 3.828 40 0 CHABMO CC[C@@H]1CCCC[N@H+]1CCCOc1ccc(C=O)cc1 ZINC000008731533 170351104 /nfs/dbraw/zinc/35/11/04/170351104.db2.gz FFJLQVVISDKCDX-MRXNPFEDSA-N 1 1 275.392 3.533 40 0 CHABMO CC(C)[N@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000031938486 171665651 /nfs/dbraw/zinc/66/56/51/171665651.db2.gz JTNBVNQXAVLMMC-SFHVURJKSA-N 1 1 269.388 3.631 40 0 CHABMO COc1ccc2[nH]c([C@H]3CC[N@H+](C4CCCCC4)C3)nc2c1 ZINC000035446751 172202696 /nfs/dbraw/zinc/20/26/96/172202696.db2.gz GCTKASVOCYIKAZ-ZDUSSCGKSA-N 1 1 299.418 3.694 40 0 biogenic,in-vitro CHABMO COc1ccc2nc([C@H]3CC[N@@H+](C4CCCCC4)C3)[nH]c2c1 ZINC000035446751 172202701 /nfs/dbraw/zinc/20/27/01/172202701.db2.gz GCTKASVOCYIKAZ-ZDUSSCGKSA-N 1 1 299.418 3.694 40 0 biogenic,in-vitro CHABMO COc1ccc2nc([C@H]3CC[N@H+](C4CCCCC4)C3)[nH]c2c1 ZINC000035446751 172202705 /nfs/dbraw/zinc/20/27/05/172202705.db2.gz GCTKASVOCYIKAZ-ZDUSSCGKSA-N 1 1 299.418 3.694 40 0 biogenic,in-vitro CHABMO C[N@@H+]1CCc2nc3ccccc3c(-c3ccccc3)c2C1 ZINC000044138615 175146429 /nfs/dbraw/zinc/14/64/29/175146429.db2.gz OVGHRQJSHRGVQB-UHFFFAOYSA-N 1 1 274.367 3.890 40 0 CHABMO C[N@H+]1CCc2nc3ccccc3c(-c3ccccc3)c2C1 ZINC000044138615 175146430 /nfs/dbraw/zinc/14/64/30/175146430.db2.gz OVGHRQJSHRGVQB-UHFFFAOYSA-N 1 1 274.367 3.890 40 0 CHABMO Cc1nccc([C@H]2CCCC[N@@H+]2Cc2ccccc2F)n1 ZINC000072384965 176388698 /nfs/dbraw/zinc/38/86/98/176388698.db2.gz YVBIWWMAEVBZFF-QGZVFWFLSA-N 1 1 285.366 3.651 40 0 CHABMO Cc1nccc([C@H]2CCCC[N@H+]2Cc2ccccc2F)n1 ZINC000072384965 176388700 /nfs/dbraw/zinc/38/87/00/176388700.db2.gz YVBIWWMAEVBZFF-QGZVFWFLSA-N 1 1 285.366 3.651 40 0 CHABMO C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000031961902 567885515 /nfs/dbraw/zinc/88/55/15/567885515.db2.gz WWYMRAQFSAKRMQ-MRXNPFEDSA-N 1 1 275.779 3.505 40 0 CHABMO CC[N@@H+]1CC=C(c2nc3cc(C)cc(C)c3o2)CC1 ZINC000073636004 567893067 /nfs/dbraw/zinc/89/30/67/567893067.db2.gz QPJORPPBUVEDTH-UHFFFAOYSA-N 1 1 256.349 3.554 40 0 CHABMO CCC[N@@H+]1CC=C(c2nc3ccc(F)cc3s2)CC1 ZINC000073638885 567893673 /nfs/dbraw/zinc/89/36/73/567893673.db2.gz ZJKBXDFWQHSHPW-UHFFFAOYSA-N 1 1 276.380 3.935 40 0 CHABMO CC(C)C[N@H+]1CCC[C@]2(CCN(Cc3cccs3)C2)C1 ZINC000096215257 567910182 /nfs/dbraw/zinc/91/01/82/567910182.db2.gz WKNRVMJQSOEODR-KRWDZBQOSA-N 1 1 292.492 3.692 40 0 CHABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(Br)nc1 ZINC000072211557 567917608 /nfs/dbraw/zinc/91/76/08/567917608.db2.gz YHHIFXGMOKGGGP-LBPRGKRZSA-N 1 1 283.213 3.637 40 0 CHABMO CC(C)[N@H+]1CCCC[C@@H]1c1cccnc1NC1CCC1 ZINC000072213918 567918852 /nfs/dbraw/zinc/91/88/52/567918852.db2.gz JEQSLBQJRUUSGE-MRXNPFEDSA-N 1 1 273.424 3.981 40 0 CHABMO CCCC[N@H+]1CCC[C@H]1c1ccc(NC2CC2)nc1 ZINC000072213784 567918999 /nfs/dbraw/zinc/91/89/99/567918999.db2.gz XTDVAMJHZSCTJI-HNNXBMFYSA-N 1 1 259.397 3.593 40 0 CHABMO CC(C)[N@H+]1CCCC[C@@H]1c1cccnc1NC1CC1 ZINC000072213738 567919381 /nfs/dbraw/zinc/91/93/81/567919381.db2.gz AZXVVTDPPRIPGL-OAHLLOKOSA-N 1 1 259.397 3.591 40 0 CHABMO C[N@H+]1CCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217406 567919471 /nfs/dbraw/zinc/91/94/71/567919471.db2.gz FKHNWBAOQJNUMU-LBPRGKRZSA-N 1 1 250.411 3.739 40 0 CHABMO CC[N@H+]1CCC[C@H]1c1ccc(SC(C)C)nc1 ZINC000072217473 567919701 /nfs/dbraw/zinc/91/97/01/567919701.db2.gz XRFJEEBWVLLLOV-ZDUSSCGKSA-N 1 1 250.411 3.739 40 0 CHABMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)c(C)n1 ZINC000072218066 567920080 /nfs/dbraw/zinc/92/00/80/567920080.db2.gz SKESOOXQXBALIN-QGZVFWFLSA-N 1 1 282.387 3.736 40 0 CHABMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216058 567920447 /nfs/dbraw/zinc/92/04/47/567920447.db2.gz XUJVSWOCXJNOSD-MRXNPFEDSA-N 1 1 273.424 3.619 40 0 CHABMO COc1ncc([C@@H]2CCC[N@H+]2Cc2ccccc2)cc1C ZINC000072217710 567920643 /nfs/dbraw/zinc/92/06/43/567920643.db2.gz VKFCCANMAIBERQ-KRWDZBQOSA-N 1 1 282.387 3.736 40 0 CHABMO CCSc1ncccc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072217184 567920962 /nfs/dbraw/zinc/92/09/62/567920962.db2.gz GAHLGKNYILYNJE-AWEZNQCLSA-N 1 1 264.438 3.987 40 0 CHABMO CCC[N@H+]1CCCC[C@H]1c1c[nH]c(=S)cc1C ZINC000072218339 567921110 /nfs/dbraw/zinc/92/11/10/567921110.db2.gz SNRKKRXCMHQFNR-ZDUSSCGKSA-N 1 1 250.411 3.616 40 0 CHABMO CNc1cc(C)c([C@@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072219062 567921970 /nfs/dbraw/zinc/92/19/70/567921970.db2.gz CIQFVEIMCYQJQD-HNNXBMFYSA-N 1 1 261.413 3.615 40 0 CHABMO Cc1cc(N2CCCCCC2)[nH+]cc1[C@H](O)c1ccccc1 ZINC000072223528 567922525 /nfs/dbraw/zinc/92/25/25/567922525.db2.gz SZBDFTNEKINXTN-LJQANCHMSA-N 1 1 296.414 3.852 40 0 CHABMO CC[C@H](C)Oc1c(C)cc(-c2noc([C@@H](C)[NH3+])n2)cc1C ZINC000095095353 567940792 /nfs/dbraw/zinc/94/07/92/567940792.db2.gz HIWLJFGIBQNAPU-NWDGAFQWSA-N 1 1 289.379 3.550 40 0 CHABMO CC(C)CC[N@H+]1C[C@@H](C)[C@](O)(c2ccccc2)C[C@H]1C ZINC000003901497 567945783 /nfs/dbraw/zinc/94/57/83/567945783.db2.gz NRNKPUIJZXENIG-NUJGCVRESA-N 1 1 275.436 3.651 40 0 CHABMO CCOP(=O)(CC=[NH+]C1CCCCC1)OCC ZINC000016998166 570226372 /nfs/dbraw/zinc/22/63/72/570226372.db2.gz GCOCYGLSBKOTBU-KHPPLWFESA-N 1 1 261.302 3.646 40 0 CHABMO Cc1cc(Cl)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000146930385 570274062 /nfs/dbraw/zinc/27/40/62/570274062.db2.gz NOWBMLIYMVDCEN-UHFFFAOYSA-N 1 1 272.779 3.602 40 0 CHABMO Cc1cc(Cl)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000146930385 570274064 /nfs/dbraw/zinc/27/40/64/570274064.db2.gz NOWBMLIYMVDCEN-UHFFFAOYSA-N 1 1 272.779 3.602 40 0 CHABMO CC[C@@]12CCC[N@@H+]3CCc4c5ccccc5n(c4[C@@H]31)[C@@H](O)C2 ZINC000004214628 1125387321 /nfs/dbraw/zinc/38/73/21/1125387321.db2.gz HONLKDDLTAZVQV-UHOSZYNNSA-N 1 1 296.414 3.625 40 0 in-man CHABMO CC[C@@]12CCC[N@H+]3CCc4c5ccccc5n(c4[C@@H]31)[C@@H](O)C2 ZINC000004214628 1125387323 /nfs/dbraw/zinc/38/73/23/1125387323.db2.gz HONLKDDLTAZVQV-UHOSZYNNSA-N 1 1 296.414 3.625 40 0 in-man CHABMO CC(C)Nc1nc(N2Cc3ccccc3CC2(C)C)cc[nH+]1 ZINC000329006263 136377136 /nfs/dbraw/zinc/37/71/36/136377136.db2.gz LBKUQWLSSXSBON-UHFFFAOYSA-N 1 1 296.418 3.638 40 0 CHABMO CC(C)[N@H+]1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257262230 190022754 /nfs/dbraw/zinc/02/27/54/190022754.db2.gz LKRCAOHABPXQBC-INIZCTEOSA-N 1 1 288.366 3.950 40 0 CHABMO Cc1ccc(C[N@H+]2CCC[C@H](c3ccnc(C)n3)C2)s1 ZINC000257307193 190031553 /nfs/dbraw/zinc/03/15/53/190031553.db2.gz SXPAADJENOAHFO-AWEZNQCLSA-N 1 1 287.432 3.535 40 0 CHABMO Cc1ccc(C[N@H+]2CCC[C@@H](c3ccnc(C)n3)C2)s1 ZINC000257307194 190031182 /nfs/dbraw/zinc/03/11/82/190031182.db2.gz SXPAADJENOAHFO-CQSZACIVSA-N 1 1 287.432 3.535 40 0 CHABMO CCc1ccc([C@H](O)CC[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)cc1 ZINC000004934802 170042335 /nfs/dbraw/zinc/04/23/35/170042335.db2.gz VMSXDIVIIRJUEP-JENIJYKNSA-N 1 1 287.447 3.795 40 0 CHABMO CCCCCCO[C@H](C[NH+](C)C)C(Cl)(Cl)Cl ZINC000005524043 170108215 /nfs/dbraw/zinc/10/82/15/170108215.db2.gz NDFVUXIYNXJRED-SNVBAGLBSA-N 1 1 290.662 3.884 40 0 CHABMO C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000009996357 170393422 /nfs/dbraw/zinc/39/34/22/170393422.db2.gz HLUVGDBTIZIQQH-NSHDSACASA-N 1 1 268.198 3.681 40 0 CHABMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1)CCC2 ZINC000022050690 171350828 /nfs/dbraw/zinc/35/08/28/171350828.db2.gz FRXHWVJZKYQAJG-UHFFFAOYSA-N 1 1 297.398 3.652 40 0 in-vitro CHABMO C(=C/c1ccccc1)\C[NH2+]CCNC/C=C\c1ccccc1 ZINC000022795564 171399453 /nfs/dbraw/zinc/39/94/53/171399453.db2.gz OCPXRFLUCJRFJO-MFUUIURDSA-N 1 1 292.426 3.592 40 0 CHABMO COc1ccccc1-c1cccc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072348556 176373627 /nfs/dbraw/zinc/37/36/27/176373627.db2.gz VUHCJFPZTHNUJI-CQSZACIVSA-N 1 1 282.387 3.566 40 0 CHABMO C[N@H+]1CCC[C@@H](c2cnc(-c3ccccc3Cl)cn2)C1 ZINC000072382919 176388343 /nfs/dbraw/zinc/38/83/43/176388343.db2.gz HGACKBMYPPLRHE-GFCCVEGCSA-N 1 1 287.794 3.606 40 0 CHABMO C[C@@H]1C[C@H](C)C[N@H+](Cc2c3cccnc3[nH]c2C2CC2)C1 ZINC000072393358 176394317 /nfs/dbraw/zinc/39/43/17/176394317.db2.gz XDHNHUSEJYPHFQ-BETUJISGSA-N 1 1 283.419 3.918 40 0 CHABMO Cc1cc[nH+]c(NCc2cccc(Br)c2)c1 ZINC000042244017 260299002 /nfs/dbraw/zinc/29/90/02/260299002.db2.gz IXCYTINQJPTKIG-UHFFFAOYSA-N 1 1 277.165 3.765 40 0 CHABMO Cc1cc2sc(C3=CC[N@@H+](C)CC3)nc2c(C)c1 ZINC000073638453 567893500 /nfs/dbraw/zinc/89/35/00/567893500.db2.gz KLROZOHFJALWMT-UHFFFAOYSA-N 1 1 258.390 3.632 40 0 CHABMO Clc1ccc2oc([C@H]3CC[N@H+](C4CCC4)C3)nc2c1 ZINC000049168820 560084812 /nfs/dbraw/zinc/08/48/12/560084812.db2.gz KUXBOIPOYGXCLQ-JTQLQIEISA-N 1 1 276.767 3.823 40 0 biogenic,in-vitro CHABMO COc1ccc2ccccc2c1[C@H](CN)[N@H+]1CCC[C@@H](C)C1 ZINC000032073455 567043494 /nfs/dbraw/zinc/04/34/94/567043494.db2.gz IYHLFVKGPZPWHN-PBHICJAKSA-N 1 1 298.430 3.580 40 0 CHABMO COc1ccc2ccccc2c1[C@H](C[NH3+])N1CCC[C@@H](C)C1 ZINC000032073455 567043498 /nfs/dbraw/zinc/04/34/98/567043498.db2.gz IYHLFVKGPZPWHN-PBHICJAKSA-N 1 1 298.430 3.580 40 0 CHABMO OC[C@@H](c1ccc(Cl)cc1Cl)[NH+]1CCCCC1 ZINC000070452970 567115738 /nfs/dbraw/zinc/11/57/38/567115738.db2.gz QVAVWXHBHQQTOB-ZDUSSCGKSA-N 1 1 274.191 3.513 40 0 CHABMO Cc1cccc(C[NH2+]Cc2csc(C3CC3)n2)c1 ZINC000069876365 567116349 /nfs/dbraw/zinc/11/63/49/567116349.db2.gz FKRXHBLTIBYERV-UHFFFAOYSA-N 1 1 258.390 3.619 40 0 CHABMO C[C@H]1CCCC[C@H]1N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000019900115 567123505 /nfs/dbraw/zinc/12/35/05/567123505.db2.gz ADQAWJJCVOTDOE-OKZBNKHCSA-N 1 1 276.468 3.539 40 0 CHABMO CC[N@@H+](CCN(C)c1ccccc1)Cc1ccccc1 ZINC000001563639 567838209 /nfs/dbraw/zinc/83/82/09/567838209.db2.gz JZFQOQCPWNUNRX-UHFFFAOYSA-N 1 1 268.404 3.645 40 0 CHABMO CC(C)C1CCC2(CC1)CC[NH+](CCCN(C)C)CC2 ZINC000001667787 567840863 /nfs/dbraw/zinc/84/08/63/567840863.db2.gz FMRAXIRZCYGJPT-UHFFFAOYSA-N 1 1 280.500 3.867 40 0 CHABMO O[C@H](/C=C/c1ccccc1)CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1 ZINC000017378386 567875741 /nfs/dbraw/zinc/87/57/41/567875741.db2.gz JYGDXORVNYESLN-PEEKWUTASA-N 1 1 285.431 3.573 40 0 CHABMO CC[C@@H]1N2CCc3c4ccccc4[nH]c3[C@@H]2[C@H]2CCCC[N@H+]12 ZINC000019329919 567877473 /nfs/dbraw/zinc/87/74/73/567877473.db2.gz WETNQTVELGGQDM-AOIWGVFYSA-N 1 1 295.430 3.671 40 0 CHABMO CC[C@@H]1N2CCc3c4ccccc4[nH]c3[C@@H]2[C@H]2CCCC[N@@H+]12 ZINC000019329919 567877474 /nfs/dbraw/zinc/87/74/74/567877474.db2.gz WETNQTVELGGQDM-AOIWGVFYSA-N 1 1 295.430 3.671 40 0 CHABMO CCCn1c2ccccc2nc1C[N@H+]1CCCC[C@@H]1C ZINC000028515307 567883761 /nfs/dbraw/zinc/88/37/61/567883761.db2.gz LQFWBPPVGCCXKA-AWEZNQCLSA-N 1 1 271.408 3.821 40 0 CHABMO CCC[N@@H+]1CCCC[C@H]1c1ccc(Br)nc1 ZINC000072211572 567917751 /nfs/dbraw/zinc/91/77/51/567917751.db2.gz HKGCSDXWVBYDLC-LBPRGKRZSA-N 1 1 283.213 3.781 40 0 CHABMO CCC[N@H+]1CCCC[C@H]1c1ccc(Br)nc1 ZINC000072211572 567917752 /nfs/dbraw/zinc/91/77/52/567917752.db2.gz HKGCSDXWVBYDLC-LBPRGKRZSA-N 1 1 283.213 3.781 40 0 CHABMO CNc1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072212563 567918194 /nfs/dbraw/zinc/91/81/94/567918194.db2.gz GQXHOCPFAXPEFT-QGZVFWFLSA-N 1 1 281.403 3.851 40 0 CHABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1OC(C)C ZINC000072211965 567918578 /nfs/dbraw/zinc/91/85/78/567918578.db2.gz YLMJFHWUEORBEY-HNNXBMFYSA-N 1 1 262.397 3.806 40 0 CHABMO CCC[N@H+]1CCC[C@H]1c1cccnc1NC1CCC1 ZINC000072213900 567919175 /nfs/dbraw/zinc/91/91/75/567919175.db2.gz JNEGTBDEUGWAEC-HNNXBMFYSA-N 1 1 259.397 3.593 40 0 CHABMO CSc1ccc([C@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072216884 567921130 /nfs/dbraw/zinc/92/11/30/567921130.db2.gz GUVOPQBEKLDFGV-CYBMUJFWSA-N 1 1 250.411 3.596 40 0 CHABMO Cc1nc(N2CCCC2)ccc1[C@H]1CCCC[N@@H+]1C(C)C ZINC000072218941 567921570 /nfs/dbraw/zinc/92/15/70/567921570.db2.gz WVJUIJABVPSNLQ-QGZVFWFLSA-N 1 1 287.451 3.926 40 0 CHABMO Cc1cc(N)ncc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072218526 567921878 /nfs/dbraw/zinc/92/18/78/567921878.db2.gz LXFACAOXDJECOJ-KRWDZBQOSA-N 1 1 281.403 3.699 40 0 CHABMO Cc1cc([C@@H]2CCC[N@@H+]2CC(C)C)cnc1N1CCCC1 ZINC000072218803 567921891 /nfs/dbraw/zinc/92/18/91/567921891.db2.gz UQXLOXOAIHYHLY-KRWDZBQOSA-N 1 1 287.451 3.783 40 0 CHABMO Cc1nc(N(C)C)ccc1[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000072218762 567921948 /nfs/dbraw/zinc/92/19/48/567921948.db2.gz LEHNCYWRCSOTHX-INIZCTEOSA-N 1 1 275.440 3.639 40 0 CHABMO COc1cc2c(cc1OCc1ccccc1)[C@@H](C)[N@@H+](C)CC2 ZINC000003847231 567938129 /nfs/dbraw/zinc/93/81/29/567938129.db2.gz MNDZGPSZJCVZEO-CQSZACIVSA-N 1 1 297.398 3.823 40 0 CHABMO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000017009339 1120392725 /nfs/dbraw/zinc/39/27/25/1120392725.db2.gz MOAYJGSEGKYGEV-BETUJISGSA-N 1 1 284.403 3.922 40 0 CHABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(SC)nc1 ZINC000072216899 256710736 /nfs/dbraw/zinc/71/07/36/256710736.db2.gz FARFSKADGKVFGN-CYBMUJFWSA-N 1 1 250.411 3.741 40 0 CHABMO Cc1ccc(Cc2cccc([C@H]3CCC[N@@H+]3C)n2)cc1 ZINC000072357510 176376049 /nfs/dbraw/zinc/37/60/49/176376049.db2.gz NTRRQRSESHIGMA-GOSISDBHSA-N 1 1 266.388 3.748 40 0 CHABMO CC(C)[N@H+]1CCC[C@@H]1c1cccc(NCc2ccncc2)n1 ZINC000072364980 176380009 /nfs/dbraw/zinc/38/00/09/176380009.db2.gz VYIFJYDUAXLIML-QGZVFWFLSA-N 1 1 296.418 3.634 40 0 CHABMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCCOc1cccc(C=O)c1 ZINC000217795021 533827780 /nfs/dbraw/zinc/82/77/80/533827780.db2.gz DMMOKWRPHDEISO-IYBDPMFKSA-N 1 1 289.419 3.921 40 0 CHABMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCOc1cccc(C=O)c1 ZINC000217790612 533828255 /nfs/dbraw/zinc/82/82/55/533828255.db2.gz WYOIWKKKCRPOMC-GASCZTMLSA-N 1 1 275.392 3.531 40 0 CHABMO CCC[N@H+]1CCC[C@@H]1c1ccc(SCC)nc1 ZINC000072217122 567920978 /nfs/dbraw/zinc/92/09/78/567920978.db2.gz HTKYFDSUNVNCOG-CYBMUJFWSA-N 1 1 250.411 3.741 40 0 CHABMO CCCCNc1ncccc1[C@@H]1CCCC[N@H+]1CC ZINC000072213614 567918765 /nfs/dbraw/zinc/91/87/65/567918765.db2.gz GTQNORYTBPQAAV-HNNXBMFYSA-N 1 1 261.413 3.841 40 0 CHABMO C[N@H+]1CCCO[C@@H](c2ccccc2)c2ccsc2CC1 ZINC000001607890 567839431 /nfs/dbraw/zinc/83/94/31/567839431.db2.gz CAGUNSQDJUXDGK-KRWDZBQOSA-N 1 1 287.428 3.732 40 0 CHABMO C[NH+](C)Cc1ccc2ccccc2c1Br ZINC000001662343 567840224 /nfs/dbraw/zinc/84/02/24/567840224.db2.gz PEDWKJDEKRRSCX-UHFFFAOYSA-N 1 1 264.166 3.664 40 0 CHABMO C[NH+](C)Cc1ccc(C(C)(C)C)cc1Br ZINC000001765945 567843541 /nfs/dbraw/zinc/84/35/41/567843541.db2.gz ROINMEMOKUZLIU-UHFFFAOYSA-N 1 1 270.214 3.808 40 0 CHABMO C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[N@H+]2Cc1ccoc1 ZINC000005492540 567859358 /nfs/dbraw/zinc/85/93/58/567859358.db2.gz MSBGXQSDBDHIGV-UPRAQXHNSA-N 1 1 297.398 3.710 40 0 CHABMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2ccn(C)n2)cc1 ZINC000012154145 567862151 /nfs/dbraw/zinc/86/21/51/567862151.db2.gz YPBUIPGXXNOZAN-GOSISDBHSA-N 1 1 299.418 3.546 40 0 CHABMO Cc1ccsc1C[N@@H+]1CCCCC[C@H]1c1ccn(C)n1 ZINC000019238645 567877275 /nfs/dbraw/zinc/87/72/75/567877275.db2.gz QRVHYVNIZUYJHE-HNNXBMFYSA-N 1 1 289.448 3.907 40 0 CHABMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccn12 ZINC000019240705 567877306 /nfs/dbraw/zinc/87/73/06/567877306.db2.gz CUIGKZXKLSJFLD-QGZVFWFLSA-N 1 1 291.398 3.632 40 0 CHABMO Cn1ccc([C@H]2CCCCC[N@@H+]2Cc2cccc(F)c2)n1 ZINC000019291083 567877480 /nfs/dbraw/zinc/87/74/80/567877480.db2.gz DOEWEXJFCIZZGY-QGZVFWFLSA-N 1 1 287.382 3.677 40 0 CHABMO Cn1ccc([C@H]2CCCCC[N@H+]2Cc2cccc(F)c2)n1 ZINC000019291083 567877481 /nfs/dbraw/zinc/87/74/81/567877481.db2.gz DOEWEXJFCIZZGY-QGZVFWFLSA-N 1 1 287.382 3.677 40 0 CHABMO C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH+]1CCN(C2CCCCCC2)CC1 ZINC000019790112 567879350 /nfs/dbraw/zinc/87/93/50/567879350.db2.gz XCBFRNWRTZBQAU-FGTMMUONSA-N 1 1 288.479 3.539 40 0 CHABMO CN(C)c1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072212683 567918061 /nfs/dbraw/zinc/91/80/61/567918061.db2.gz DCUQEPYYYKKNMG-GOSISDBHSA-N 1 1 295.430 3.875 40 0 CHABMO CNc1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072212502 567918122 /nfs/dbraw/zinc/91/81/22/567918122.db2.gz GULMEQUYLBFWMK-KRWDZBQOSA-N 1 1 281.403 3.851 40 0 CHABMO CC[N@H+]1CCC[C@H]1c1cccnc1OCc1ccccc1 ZINC000072212071 567918519 /nfs/dbraw/zinc/91/85/19/567918519.db2.gz FIQUTTFKMAYIAA-KRWDZBQOSA-N 1 1 282.387 3.817 40 0 CHABMO C[N@H+]1CCCC[C@H]1c1cccnc1OCc1ccccc1 ZINC000072212094 567918655 /nfs/dbraw/zinc/91/86/55/567918655.db2.gz PQMLSXFSNYYQLW-KRWDZBQOSA-N 1 1 282.387 3.817 40 0 CHABMO CC[C@H](C)Nc1ncccc1[C@@H]1CCC[N@H+]1C(C)C ZINC000072213392 567918818 /nfs/dbraw/zinc/91/88/18/567918818.db2.gz KLGIBIMDMHAGNL-ZFWWWQNUSA-N 1 1 261.413 3.837 40 0 CHABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1NC1CCC1 ZINC000072213916 567919058 /nfs/dbraw/zinc/91/90/58/567919058.db2.gz WIIPSPUJVRHJEB-MRXNPFEDSA-N 1 1 273.424 3.983 40 0 CHABMO CCCC[N@H+]1CCCC[C@@H]1c1cnc(OC)cc1C ZINC000072218040 567919491 /nfs/dbraw/zinc/91/94/91/567919491.db2.gz YNOFBPFVXZURAW-OAHLLOKOSA-N 1 1 262.397 3.726 40 0 CHABMO C[N@H+]1CCC[C@@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214063 567919653 /nfs/dbraw/zinc/91/96/53/567919653.db2.gz XIIKQNIHMBFIOB-OAHLLOKOSA-N 1 1 253.349 3.592 40 0 CHABMO CCC[N@H+]1CCC[C@H]1c1cccnc1N1CCCCC1 ZINC000072216104 567920255 /nfs/dbraw/zinc/92/02/55/567920255.db2.gz IGGSKFWJCFUHCB-INIZCTEOSA-N 1 1 273.424 3.619 40 0 CHABMO CC[N@H+]1CCC[C@@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216633 567920475 /nfs/dbraw/zinc/92/04/75/567920475.db2.gz NDGBCULDKIDPPN-MRXNPFEDSA-N 1 1 273.424 3.619 40 0 CHABMO CC(C)[N@H+]1CCC[C@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216042 567920624 /nfs/dbraw/zinc/92/06/24/567920624.db2.gz KPLKULCAKVVYMX-INIZCTEOSA-N 1 1 273.424 3.617 40 0 CHABMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216059 567920750 /nfs/dbraw/zinc/92/07/50/567920750.db2.gz XUJVSWOCXJNOSD-INIZCTEOSA-N 1 1 273.424 3.619 40 0 CHABMO CSc1ncccc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072216944 567921021 /nfs/dbraw/zinc/92/10/21/567921021.db2.gz OFXOYTSIHFBOAY-CYBMUJFWSA-N 1 1 250.411 3.596 40 0 CHABMO CCSc1ccc([C@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072217121 567921046 /nfs/dbraw/zinc/92/10/46/567921046.db2.gz RGVJOHMSTSIWDR-CYBMUJFWSA-N 1 1 250.411 3.739 40 0 CHABMO Cc1nc(N2CCCC2)ccc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072218920 567921477 /nfs/dbraw/zinc/92/14/77/567921477.db2.gz COUDHZRZDCYUGA-MRXNPFEDSA-N 1 1 273.424 3.536 40 0 CHABMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCC2)nc1C ZINC000072218936 567921498 /nfs/dbraw/zinc/92/14/98/567921498.db2.gz BOCUKFDXSLRECS-MRXNPFEDSA-N 1 1 273.424 3.537 40 0 CHABMO Cc1cc(N(C)C)ncc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072218670 567921545 /nfs/dbraw/zinc/92/15/45/567921545.db2.gz XKSDZYINVYPGIZ-GOSISDBHSA-N 1 1 295.430 3.793 40 0 CHABMO Cc1nc(N)ccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072218587 567921624 /nfs/dbraw/zinc/92/16/24/567921624.db2.gz YHXULAKSYBDOCC-QGZVFWFLSA-N 1 1 281.403 3.699 40 0 CHABMO Cc1cc([C@@H]2CCCC[N@@H+]2CC(C)C)cnc1N(C)C ZINC000072218642 567921876 /nfs/dbraw/zinc/92/18/76/567921876.db2.gz RACIHGSSNZCVDY-INIZCTEOSA-N 1 1 275.440 3.639 40 0 CHABMO Cc1cc(N)ncc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072218527 567921897 /nfs/dbraw/zinc/92/18/97/567921897.db2.gz LXFACAOXDJECOJ-QGZVFWFLSA-N 1 1 281.403 3.699 40 0 CHABMO CCCC[N@H+]1CCCC[C@@H]1c1cnc(NC)cc1C ZINC000072219064 567921951 /nfs/dbraw/zinc/92/19/51/567921951.db2.gz XAEVGDKYKWGDEW-OAHLLOKOSA-N 1 1 261.413 3.759 40 0 CHABMO CCC[N@H+]1CCCC[C@H]1c1cc(OC)ccc1OC ZINC000072221884 567922148 /nfs/dbraw/zinc/92/21/48/567922148.db2.gz NRXFBSZHTWEPNJ-HNNXBMFYSA-N 1 1 263.381 3.641 40 0 CHABMO Cc1[nH+]c(NC(C)(C)C)ccc1[C@H](O)c1ccccc1 ZINC000072225016 567922766 /nfs/dbraw/zinc/92/27/66/567922766.db2.gz DFBQHKQEZPNTBC-MRXNPFEDSA-N 1 1 270.376 3.682 40 0 CHABMO COc1ccc2[nH]c3c(c2c1)CC[N@H+]1C[C@H]2CCCC[C@@H]2[C@@H]31 ZINC000004026530 567932545 /nfs/dbraw/zinc/93/25/45/567932545.db2.gz HKCFIODYAGNXJQ-UHYGZKCKSA-N 1 1 296.414 3.896 40 0 CHABMO CC[C@@H](C)Oc1c(C)cc(-c2noc([C@H](C)[NH3+])n2)cc1C ZINC000095095354 184942764 /nfs/dbraw/zinc/94/27/64/184942764.db2.gz HIWLJFGIBQNAPU-NEPJUHHUSA-N 1 1 289.379 3.550 40 0 CHABMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(N)cc1Br ZINC000037515910 173247612 /nfs/dbraw/zinc/24/76/12/173247612.db2.gz FPVDVIKKPOYZMN-PHIMTYICSA-N 1 1 297.240 3.794 40 0 CHABMO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccncc1 ZINC000072350996 176373688 /nfs/dbraw/zinc/37/36/88/176373688.db2.gz UYATWASYAAIBPJ-CQSZACIVSA-N 1 1 258.390 3.653 40 0 CHABMO c1ccc(-c2nccc([C@@H]3CCC[N@@H+]3C3CCCC3)n2)nc1 ZINC000072355770 176375174 /nfs/dbraw/zinc/37/51/74/176375174.db2.gz XMFFXODOEACNGB-KRWDZBQOSA-N 1 1 294.402 3.618 40 0 CHABMO Clc1ccccc1C[N@@H+]1CCCC[C@H]1c1ccncn1 ZINC000072384977 176388819 /nfs/dbraw/zinc/38/88/19/176388819.db2.gz BAKLKTNEDOFFLA-INIZCTEOSA-N 1 1 287.794 3.857 40 0 CHABMO Clc1ccccc1C[N@H+]1CCCC[C@H]1c1ccncn1 ZINC000072384977 176388820 /nfs/dbraw/zinc/38/88/20/176388820.db2.gz BAKLKTNEDOFFLA-INIZCTEOSA-N 1 1 287.794 3.857 40 0 CHABMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCOc1ccccc1C=O ZINC000217790895 533826531 /nfs/dbraw/zinc/82/65/31/533826531.db2.gz OVHLIKDHAZFMQB-GASCZTMLSA-N 1 1 275.392 3.531 40 0 CHABMO Cc1ccc(C[N@@H+](Cc2sccc2C)C[C@@H](C)O)s1 ZINC000013991515 567912305 /nfs/dbraw/zinc/91/23/05/567912305.db2.gz GZLALKNPGIAFGK-GFCCVEGCSA-N 1 1 295.473 3.809 40 0 CHABMO CCSc1ccc([C@@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072217124 567921049 /nfs/dbraw/zinc/92/10/49/567921049.db2.gz XIGWRLFXWBMVER-AWEZNQCLSA-N 1 1 264.438 3.987 40 0 CHABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1SC ZINC000072216960 567921102 /nfs/dbraw/zinc/92/11/02/567921102.db2.gz NQOCQQMVFUAUAX-ZDUSSCGKSA-N 1 1 250.411 3.741 40 0 CHABMO COc1ccc2ccccc2c1[C@@H](CN)[N@H+]1CCC[C@@H](C)C1 ZINC000032073453 567044931 /nfs/dbraw/zinc/04/49/31/567044931.db2.gz IYHLFVKGPZPWHN-RHSMWYFYSA-N 1 1 298.430 3.580 40 0 CHABMO COc1ccc2ccccc2c1[C@@H](C[NH3+])N1CCC[C@@H](C)C1 ZINC000032073453 567044936 /nfs/dbraw/zinc/04/49/36/567044936.db2.gz IYHLFVKGPZPWHN-RHSMWYFYSA-N 1 1 298.430 3.580 40 0 CHABMO C[C@@H]1CC[C@H](C)[N@H+]1c1ccc(N2CCCCC2)c(N)c1 ZINC000017957899 567080552 /nfs/dbraw/zinc/08/05/52/567080552.db2.gz ZPGCBYCQHPDAGN-OKILXGFUSA-N 1 1 273.424 3.636 40 0 CHABMO C[C@@H]1CC[C@H](C)[N@@H+]1c1ccc(N2CCCCC2)c(N)c1 ZINC000017957899 567080555 /nfs/dbraw/zinc/08/05/55/567080555.db2.gz ZPGCBYCQHPDAGN-OKILXGFUSA-N 1 1 273.424 3.636 40 0 CHABMO C[C@@H]1[C@@H](O)C[C@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1 ZINC000004375818 567857058 /nfs/dbraw/zinc/85/70/58/567857058.db2.gz FAHFBUDMUKEFDS-OAOYMFHYSA-N 1 1 281.399 3.802 40 0 CHABMO Cc1cn(Cc2ccc(Cl)cc2Cl)c(C)[nH+]1 ZINC000013281794 567865699 /nfs/dbraw/zinc/86/56/99/567865699.db2.gz WJZWIBZRLKKIEZ-UHFFFAOYSA-N 1 1 255.148 3.855 40 0 CHABMO Cc1cc([C@@H]2CCCCC[N@H+]2Cc2cccc(O)c2)on1 ZINC000019120297 567877259 /nfs/dbraw/zinc/87/72/59/567877259.db2.gz OHKURPHHXFBYEC-INIZCTEOSA-N 1 1 286.375 3.806 40 0 CHABMO COc1cccc(C[N@H+]2CCCCC[C@@H]2c2ccn(C)n2)c1 ZINC000019291084 567877279 /nfs/dbraw/zinc/87/72/79/567877279.db2.gz JURGOJFFOBXUHM-GOSISDBHSA-N 1 1 299.418 3.546 40 0 CHABMO CC[N@@H+]1CC=C(c2nc3cc(Cl)c(C)cc3[nH]2)CC1 ZINC000073636247 567893012 /nfs/dbraw/zinc/89/30/12/567893012.db2.gz IARQSPNWZJVMMM-UHFFFAOYSA-N 1 1 275.783 3.634 40 0 CHABMO CC[N@H+]1CC=C(c2nc3cc(C)c(Cl)cc3[nH]2)CC1 ZINC000073636247 567893013 /nfs/dbraw/zinc/89/30/13/567893013.db2.gz IARQSPNWZJVMMM-UHFFFAOYSA-N 1 1 275.783 3.634 40 0 CHABMO CC[N@@H+]1CC=C(c2nc3cc(C)c(Cl)cc3[nH]2)CC1 ZINC000073636247 567893014 /nfs/dbraw/zinc/89/30/14/567893014.db2.gz IARQSPNWZJVMMM-UHFFFAOYSA-N 1 1 275.783 3.634 40 0 CHABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1Br ZINC000072211627 567917921 /nfs/dbraw/zinc/91/79/21/567917921.db2.gz QNCXWXVXXWABRY-GFCCVEGCSA-N 1 1 283.213 3.781 40 0 CHABMO CC(C)CNc1ncccc1[C@@H]1CCC[N@H+]1C(C)C ZINC000072213253 567917984 /nfs/dbraw/zinc/91/79/84/567917984.db2.gz UAWUNIWKMNGZSC-HNNXBMFYSA-N 1 1 261.413 3.695 40 0 CHABMO CCN(C)c1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072212766 567918313 /nfs/dbraw/zinc/91/83/13/567918313.db2.gz TXDISWLOLSHQDY-GOSISDBHSA-N 1 1 295.430 3.875 40 0 CHABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1N(CC)CC ZINC000072212902 567918368 /nfs/dbraw/zinc/91/83/68/567918368.db2.gz ILACHNVAPFDVAQ-INIZCTEOSA-N 1 1 275.440 3.865 40 0 CHABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(N(C)CC)nc1 ZINC000072212740 567918374 /nfs/dbraw/zinc/91/83/74/567918374.db2.gz LAYBPLYXAQKWOF-MRXNPFEDSA-N 1 1 275.440 3.865 40 0 CHABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1NC1CC1 ZINC000072213737 567918737 /nfs/dbraw/zinc/91/87/37/567918737.db2.gz WXOVPOGHKWDDNV-HNNXBMFYSA-N 1 1 259.397 3.593 40 0 CHABMO CC[C@@H](C)Nc1ccc([C@@H]2CCCC[N@H+]2CC)cn1 ZINC000072213533 567919009 /nfs/dbraw/zinc/91/90/09/567919009.db2.gz ZRONWPSXWANAID-HIFRSBDPSA-N 1 1 261.413 3.839 40 0 CHABMO C[N@H+]1CCCC[C@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214093 567919828 /nfs/dbraw/zinc/91/98/28/567919828.db2.gz KQFYUUSNMBEMMT-INIZCTEOSA-N 1 1 267.376 3.982 40 0 CHABMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)c(C)n1 ZINC000072218065 567919944 /nfs/dbraw/zinc/91/99/44/567919944.db2.gz SKESOOXQXBALIN-KRWDZBQOSA-N 1 1 282.387 3.736 40 0 CHABMO CN(c1ccccc1)c1ncccc1[C@@H]1CCC[N@H+]1C ZINC000072214244 567919968 /nfs/dbraw/zinc/91/99/68/567919968.db2.gz VXEMHZBBJRHJPE-INIZCTEOSA-N 1 1 267.376 3.616 40 0 CHABMO CSc1ccc([C@@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072216902 567921164 /nfs/dbraw/zinc/92/11/64/567921164.db2.gz QKXLLSQVJCQSRY-ZDUSSCGKSA-N 1 1 250.411 3.739 40 0 CHABMO Cc1nc(N(C)C)ccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072218729 567921630 /nfs/dbraw/zinc/92/16/30/567921630.db2.gz ZXLPGXHOXOAMHD-SFHVURJKSA-N 1 1 295.430 3.793 40 0 CHABMO Cc1cc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cnc1N ZINC000072218466 567921637 /nfs/dbraw/zinc/92/16/37/567921637.db2.gz RJGYWBIHTYKHIT-KRWDZBQOSA-N 1 1 281.403 3.699 40 0 CHABMO Cc1nc(N2CCCC2)ccc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072218919 567921771 /nfs/dbraw/zinc/92/17/71/567921771.db2.gz COUDHZRZDCYUGA-INIZCTEOSA-N 1 1 273.424 3.536 40 0 CHABMO CC[N@H+]1CCCC[C@H]1c1cnc(N2CCCCC2)c(C)c1 ZINC000072219177 567921893 /nfs/dbraw/zinc/92/18/93/567921893.db2.gz GNGLWESGCAOIIN-KRWDZBQOSA-N 1 1 287.451 3.927 40 0 CHABMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccccc2)cnc1N(C)C ZINC000072218610 567921965 /nfs/dbraw/zinc/92/19/65/567921965.db2.gz PNMZGNULPKHLST-GOSISDBHSA-N 1 1 295.430 3.793 40 0 CHABMO COc1ccc(OC)c([C@@H]2CCCC[N@H+]2CC(C)C)c1 ZINC000072221888 567922027 /nfs/dbraw/zinc/92/20/27/567922027.db2.gz TVEOYQPSTBZMKH-INIZCTEOSA-N 1 1 277.408 3.887 40 0 CHABMO CCC[n+]1cccc(-c2nc3cc(C)c(Cl)cc3[nH]2)c1 ZINC000226774506 567929217 /nfs/dbraw/zinc/92/92/17/567929217.db2.gz IGUSWSZDYQLGQK-UHFFFAOYSA-N 1 1 286.786 3.889 40 0 CHABMO C[C@H]1CCCC[C@@H]1N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000224082084 567951213 /nfs/dbraw/zinc/95/12/13/567951213.db2.gz ADQAWJJCVOTDOE-KSZLIROESA-N 1 1 276.468 3.539 40 0 CHABMO COC(C[C@@H](C)Nc1cc[nH+]c2cc(Cl)ccc12)OC ZINC000016954957 570234834 /nfs/dbraw/zinc/23/48/34/570234834.db2.gz ABOUSTDQNQDYKK-SNVBAGLBSA-N 1 1 294.782 3.698 40 0 CHABMO Clc1ccc2c(NCc3ccncc3)cc[nH+]c2c1 ZINC000001726043 570384084 /nfs/dbraw/zinc/38/40/84/570384084.db2.gz FTMVLKQKKMLZDB-UHFFFAOYSA-N 1 1 269.735 3.895 40 0 CHABMO Cc1cc(NCCC[NH3+])c2c(Cl)cc(Cl)cc2n1 ZINC000222689583 230398482 /nfs/dbraw/zinc/39/84/82/230398482.db2.gz PVBXQXKKIRJZJQ-UHFFFAOYSA-N 1 1 284.190 3.611 40 0 CHABMO Cc1c[nH]nc1[C@@H]1CCC[N@H+]1Cc1cccc2ncccc12 ZINC000257230853 190015983 /nfs/dbraw/zinc/01/59/83/190015983.db2.gz GEEIKOFVCLWOKP-KRWDZBQOSA-N 1 1 292.386 3.603 40 0 CHABMO Cc1cn[nH]c1[C@@H]1CCC[N@@H+]1Cc1cccc2ncccc12 ZINC000257230853 190015984 /nfs/dbraw/zinc/01/59/84/190015984.db2.gz GEEIKOFVCLWOKP-KRWDZBQOSA-N 1 1 292.386 3.603 40 0 CHABMO Cc1cn[nH]c1[C@@H]1CCC[N@H+]1Cc1cccc2ncccc12 ZINC000257230853 190015985 /nfs/dbraw/zinc/01/59/85/190015985.db2.gz GEEIKOFVCLWOKP-KRWDZBQOSA-N 1 1 292.386 3.603 40 0 CHABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(=S)[nH]c1 ZINC000072217025 256710342 /nfs/dbraw/zinc/71/03/42/256710342.db2.gz QRHUSMKDWZNPFM-CYBMUJFWSA-N 1 1 250.411 3.697 40 0 CHABMO Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c(C)c1 ZINC000005697534 170130515 /nfs/dbraw/zinc/13/05/15/170130515.db2.gz SHQXUKQYDKBFSW-INIZCTEOSA-N 1 1 288.435 3.671 40 0 CHABMO CS[C@H]1[NH+]=C(c2ccccc2)NC2=C1CCCC2 ZINC000005919110 170155450 /nfs/dbraw/zinc/15/54/50/170155450.db2.gz DKWPIOCXAMJVOY-OAHLLOKOSA-N 1 1 258.390 3.554 40 0 CHABMO Clc1cccc(C[NH2+]Cc2ccncc2)c1Cl ZINC000008418003 170335843 /nfs/dbraw/zinc/33/58/43/170335843.db2.gz NKLCEFJATQARQX-UHFFFAOYSA-N 1 1 267.159 3.678 40 0 CHABMO CC[C@H]1CCCC[N@H+]1CCCOc1ccccc1C=O ZINC000008731536 170351173 /nfs/dbraw/zinc/35/11/73/170351173.db2.gz CUDYOZDLNBETNG-INIZCTEOSA-N 1 1 275.392 3.533 40 0 CHABMO Cc1cccc(-c2cccc([C@@H]3CCC[N@H+](C)C3)n2)c1 ZINC000072348547 176373487 /nfs/dbraw/zinc/37/34/87/176373487.db2.gz QTJOGVGUNQJIRW-MRXNPFEDSA-N 1 1 266.388 3.866 40 0 CHABMO C[C@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2C2CC2)C1 ZINC000072393355 176394489 /nfs/dbraw/zinc/39/44/89/176394489.db2.gz KOACDBZYQWAWEP-LBPRGKRZSA-N 1 1 269.392 3.672 40 0 CHABMO CCCCO[C@@H]1OC[N@H+](C2CCCCC2)CC1(C)C ZINC000061916437 567897179 /nfs/dbraw/zinc/89/71/79/567897179.db2.gz QTUOZAGXZXTNCK-OAHLLOKOSA-N 1 1 269.429 3.778 40 0 CHABMO c1ccc(-c2nnc([C@H]3CC[N@H+](C4CCCCC4)C3)o2)cc1 ZINC000049169307 560085034 /nfs/dbraw/zinc/08/50/34/560085034.db2.gz CTHYXFFTAJWTJS-HNNXBMFYSA-N 1 1 297.402 3.859 40 0 biogenic,in-vitro CHABMO CC1=C[C@@H](C)[C@H](C[N@@H+]2CCO[C@@H]2C(C)C)[C@H](C)C1 ZINC000061854986 566822164 /nfs/dbraw/zinc/82/21/64/566822164.db2.gz ZINAYKAEPVIUEM-LVQVYYBASA-N 1 1 251.414 3.539 40 0 CHABMO Cc1cccc2c(Nc3cccc(O)c3)cc[nH+]c12 ZINC000028313663 566962812 /nfs/dbraw/zinc/96/28/12/566962812.db2.gz RIZXXBRSIFCPHF-UHFFFAOYSA-N 1 1 250.301 3.992 40 0 CHABMO CCOP(=O)(CC=[NH+]C1CCCCC1)OCC ZINC000031319837 567044851 /nfs/dbraw/zinc/04/48/51/567044851.db2.gz GCOCYGLSBKOTBU-ZHACJKMWSA-N 1 1 261.302 3.646 40 0 CHABMO CCCCOc1ccc(Cl)cc1-c1noc([C@H](C)[NH3+])n1 ZINC000256049839 567112536 /nfs/dbraw/zinc/11/25/36/567112536.db2.gz BRHZSUGNWOXSKF-VIFPVBQESA-N 1 1 295.770 3.589 40 0 CHABMO C[N@H+]1CC[C@H](C(c2ccccc2)c2ccccc2)C1 ZINC000001569005 567838162 /nfs/dbraw/zinc/83/81/62/567838162.db2.gz RAMVHYAPKXXGBL-KRWDZBQOSA-N 1 1 251.373 3.770 40 0 CHABMO COc1ccc(C[C@@H]2C3=C(CCCC3)CC[N@@H+]2C)cc1 ZINC000001611834 567839205 /nfs/dbraw/zinc/83/92/05/567839205.db2.gz CRXXSGLBECOUQH-GOSISDBHSA-N 1 1 271.404 3.812 40 0 CHABMO C[C@H]1[C@@H](O)C[C@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1 ZINC000004375821 567856869 /nfs/dbraw/zinc/85/68/69/567856869.db2.gz FAHFBUDMUKEFDS-VLQPXKRTSA-N 1 1 281.399 3.802 40 0 CHABMO Cc1cccc2c(Nc3ccc(O)cc3)cc[nH+]c12 ZINC000028296492 567883653 /nfs/dbraw/zinc/88/36/53/567883653.db2.gz HNURBPRQAMOZNK-UHFFFAOYSA-N 1 1 250.301 3.992 40 0 CHABMO CCCn1c2ccccc2nc1C[N@H+]1CCCC[C@H]1C ZINC000028515309 567884089 /nfs/dbraw/zinc/88/40/89/567884089.db2.gz LQFWBPPVGCCXKA-CQSZACIVSA-N 1 1 271.408 3.821 40 0 CHABMO CCC[N@@H+]1CC=C(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000073636290 567893002 /nfs/dbraw/zinc/89/30/02/567893002.db2.gz DAUPLRYHKUGQOT-UHFFFAOYSA-N 1 1 275.783 3.715 40 0 CHABMO CCC[N@H+]1CC=C(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000073636290 567893003 /nfs/dbraw/zinc/89/30/03/567893003.db2.gz DAUPLRYHKUGQOT-UHFFFAOYSA-N 1 1 275.783 3.715 40 0 CHABMO CCC[N@@H+]1CC=C(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000073636290 567893004 /nfs/dbraw/zinc/89/30/04/567893004.db2.gz DAUPLRYHKUGQOT-UHFFFAOYSA-N 1 1 275.783 3.715 40 0 CHABMO CC[N@@H+]1CC=C(c2nc3ccc(F)cc3s2)CC1 ZINC000073638886 567893460 /nfs/dbraw/zinc/89/34/60/567893460.db2.gz UWDSGAFYZBKMTM-UHFFFAOYSA-N 1 1 262.353 3.544 40 0 CHABMO CC(C)C[N@H+]1CCC[C@@]2(CCN(Cc3cccs3)C2)C1 ZINC000096215260 567910029 /nfs/dbraw/zinc/91/00/29/567910029.db2.gz WKNRVMJQSOEODR-QGZVFWFLSA-N 1 1 292.492 3.692 40 0 CHABMO Cc1cncc([C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000072211332 567917615 /nfs/dbraw/zinc/91/76/15/567917615.db2.gz WGQOXVXOBQPHQV-KRWDZBQOSA-N 1 1 252.361 3.727 40 0 CHABMO CC(C)Oc1ccc([C@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072211919 567917629 /nfs/dbraw/zinc/91/76/29/567917629.db2.gz QIFGOQMSGVUKPP-OAHLLOKOSA-N 1 1 262.397 3.804 40 0 CHABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1Br ZINC000072211614 567917711 /nfs/dbraw/zinc/91/77/11/567917711.db2.gz JXWLYYIGNWYILH-GFCCVEGCSA-N 1 1 283.213 3.637 40 0 CHABMO CCCNc1ncccc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072213154 567917974 /nfs/dbraw/zinc/91/79/74/567917974.db2.gz MMOCIWKHBDAZJF-HNNXBMFYSA-N 1 1 261.413 3.839 40 0 CHABMO CC[N@H+]1CCC[C@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212948 567918169 /nfs/dbraw/zinc/91/81/69/567918169.db2.gz FXQSJNVYRPNRIR-INIZCTEOSA-N 1 1 275.440 3.862 40 0 CHABMO CCN(C)c1ccc([C@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072212739 567918641 /nfs/dbraw/zinc/91/86/41/567918641.db2.gz OGMORFPQSNTMLI-MRXNPFEDSA-N 1 1 275.440 3.721 40 0 CHABMO CC[N@H+]1CCCC[C@@H]1c1ccc(NCC(C)C)nc1 ZINC000072213330 567919348 /nfs/dbraw/zinc/91/93/48/567919348.db2.gz VSZXZKKBEVPYOD-OAHLLOKOSA-N 1 1 261.413 3.696 40 0 CHABMO CN(c1ccccc1)c1ccc([C@@H]2CCC[N@H+]2C)cn1 ZINC000072214184 567920068 /nfs/dbraw/zinc/92/00/68/567920068.db2.gz NZTASPBDOPFPFL-INIZCTEOSA-N 1 1 267.376 3.616 40 0 CHABMO COc1ncc([C@H]2CCC[N@H+]2Cc2ccccc2)cc1C ZINC000072217711 567920194 /nfs/dbraw/zinc/92/01/94/567920194.db2.gz VKFCCANMAIBERQ-QGZVFWFLSA-N 1 1 282.387 3.736 40 0 CHABMO Cc1cc([C@@H]2CCC[N@@H+]2CC(C)C)cnc1Cl ZINC000072217783 567920233 /nfs/dbraw/zinc/92/02/33/567920233.db2.gz MFIYDXZLLXPSHG-ZDUSSCGKSA-N 1 1 252.789 3.836 40 0 CHABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(N2CCCC2)nc1 ZINC000072215944 567920765 /nfs/dbraw/zinc/92/07/65/567920765.db2.gz PJJYMBMZBDOSSN-QGZVFWFLSA-N 1 1 287.451 3.865 40 0 CHABMO CCCC[N@H+]1CCC[C@H]1c1c[nH]c(=S)cc1C ZINC000072218326 567920987 /nfs/dbraw/zinc/92/09/87/567920987.db2.gz BACFDWQOOLTLLS-ZDUSSCGKSA-N 1 1 250.411 3.616 40 0 CHABMO CSc1ccc([C@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072216901 567921002 /nfs/dbraw/zinc/92/10/02/567921002.db2.gz QKXLLSQVJCQSRY-CYBMUJFWSA-N 1 1 250.411 3.739 40 0 CHABMO Cc1[nH]c(=O)ccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072218227 567921087 /nfs/dbraw/zinc/92/10/87/567921087.db2.gz NMOCIPNDBINPRR-QGZVFWFLSA-N 1 1 282.387 3.823 40 0 CHABMO Cc1cc([C@@H]2CCCC[N@@H+]2C(C)C)c[nH]c1=S ZINC000072218280 567921396 /nfs/dbraw/zinc/92/13/96/567921396.db2.gz PFBKRGPFROJBQN-ZDUSSCGKSA-N 1 1 250.411 3.614 40 0 CHABMO CCC[N@H+]1CCC[C@@H]1c1ccc(N2CCCCC2)nc1C ZINC000072219281 567921858 /nfs/dbraw/zinc/92/18/58/567921858.db2.gz IOJSXICHYZJXEK-QGZVFWFLSA-N 1 1 287.451 3.927 40 0 CHABMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCCC2)nc1C ZINC000072218937 567921900 /nfs/dbraw/zinc/92/19/00/567921900.db2.gz BOCUKFDXSLRECS-INIZCTEOSA-N 1 1 273.424 3.537 40 0 CHABMO C=Cc1ccc(N2CCc3ccccc3C2)[nH+]c1C ZINC000072224943 567922640 /nfs/dbraw/zinc/92/26/40/567922640.db2.gz DJFDKTYEGGWAIJ-UHFFFAOYSA-N 1 1 250.345 3.596 40 0 CHABMO CCCC[C@H](CC)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000225118447 567952346 /nfs/dbraw/zinc/95/23/46/567952346.db2.gz WJKQPYGPWQFUOP-DOTOQJQBSA-N 1 1 290.451 3.622 40 0 CHABMO CN(CC[N@@H+](C)C1CCCCC1)C1CCCCC1 ZINC000066189055 570245069 /nfs/dbraw/zinc/24/50/69/570245069.db2.gz WRPQIQFDQDMHMU-UHFFFAOYSA-N 1 1 252.446 3.515 40 0 CHABMO Oc1cccc([C@]23CCCC[C@H]2C[N@@H+](CC2CC2)CC3)c1 ZINC000011678389 570220142 /nfs/dbraw/zinc/22/01/42/570220142.db2.gz KFIQKMINEHFZSM-PKOBYXMFSA-N 1 1 285.431 3.936 40 0 CHABMO CC[C@@H](C)Nc1nc(N[C@@H](C)CC)nc(N[C@H](C)CC)[nH+]1 ZINC000255189172 1121696921 /nfs/dbraw/zinc/69/69/21/1121696921.db2.gz OEPDXZREYVLSAP-UTUOFQBUSA-N 1 1 294.447 3.503 40 0 CHABMO c1cc(CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)cs1 ZINC000096049294 185073372 /nfs/dbraw/zinc/07/33/72/185073372.db2.gz UQKVOKVVVSHLBA-UHFFFAOYSA-N 1 1 290.476 3.589 40 0 CHABMO CN(C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]21 ZINC000096058309 185078469 /nfs/dbraw/zinc/07/84/69/185078469.db2.gz PGRQITFCFUKSNX-BZSNNMDCSA-N 1 1 298.455 3.580 40 0 CHABMO C[NH+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3ccsc3)C[C@@H]21 ZINC000096058309 185078474 /nfs/dbraw/zinc/07/84/74/185078474.db2.gz PGRQITFCFUKSNX-BZSNNMDCSA-N 1 1 298.455 3.580 40 0 CHABMO CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21 ZINC000096058333 185079005 /nfs/dbraw/zinc/07/90/05/185079005.db2.gz YUNIKDZJGSHJDL-FHWLQOOXSA-N 1 1 284.447 3.507 40 0 CHABMO CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@H+](CC3CC3)C[C@@H]21 ZINC000096058333 185079008 /nfs/dbraw/zinc/07/90/08/185079008.db2.gz YUNIKDZJGSHJDL-FHWLQOOXSA-N 1 1 284.447 3.507 40 0 CHABMO CCOc1ccccc1C[N@@H+]1CCCC[C@H]1c1ccncn1 ZINC000257228698 190016179 /nfs/dbraw/zinc/01/61/79/190016179.db2.gz FUWWBZMDVOTHKM-KRWDZBQOSA-N 1 1 297.402 3.603 40 0 CHABMO CCOc1ccccc1C[N@H+]1CCCC[C@H]1c1ccncn1 ZINC000257228698 190016180 /nfs/dbraw/zinc/01/61/80/190016180.db2.gz FUWWBZMDVOTHKM-KRWDZBQOSA-N 1 1 297.402 3.603 40 0 CHABMO Cc1nccn1-c1cccc([C@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000257235474 190017071 /nfs/dbraw/zinc/01/70/71/190017071.db2.gz GXZUALRXYWUIBX-QGZVFWFLSA-N 1 1 296.418 3.655 40 0 CHABMO Cc1ccsc1C[N@H+]1CCCC[C@@H]1c1ccncn1 ZINC000257253036 190020619 /nfs/dbraw/zinc/02/06/19/190020619.db2.gz JXIOJOIJGYNWRD-CQSZACIVSA-N 1 1 273.405 3.574 40 0 CHABMO Fc1ccccc1C[N@H+]1CCC[C@H]1c1cccc2nccn21 ZINC000257319028 190033573 /nfs/dbraw/zinc/03/35/73/190033573.db2.gz VQJVMXJZACXGAF-INIZCTEOSA-N 1 1 295.361 3.811 40 0 CHABMO O[C@@H](CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(Cl)cc1 ZINC000004934843 170042185 /nfs/dbraw/zinc/04/21/85/170042185.db2.gz KHKONORVTCGPCB-ZQIUZPCESA-N 1 1 293.838 3.886 40 0 CHABMO c1ccc(C[N@H+]2CCCC[C@H]2c2ccncc2)cc1 ZINC000072211050 176342780 /nfs/dbraw/zinc/34/27/80/176342780.db2.gz XAEJVXZQIVOGMD-KRWDZBQOSA-N 1 1 252.361 3.809 40 0 CHABMO Clc1cccc(C[N@@H+]2CCCC[C@H]2c2ccncn2)c1 ZINC000072385350 176389674 /nfs/dbraw/zinc/38/96/74/176389674.db2.gz AUELQCJDFPNPQM-INIZCTEOSA-N 1 1 287.794 3.857 40 0 CHABMO Clc1cccc(C[N@H+]2CCCC[C@H]2c2ccncn2)c1 ZINC000072385350 176389675 /nfs/dbraw/zinc/38/96/75/176389675.db2.gz AUELQCJDFPNPQM-INIZCTEOSA-N 1 1 287.794 3.857 40 0 CHABMO Clc1cc2c(ncn2C[NH+]2CCCCC2)c(Cl)c1 ZINC000073634259 176479598 /nfs/dbraw/zinc/47/95/98/176479598.db2.gz UISIBXZOLUEJIM-UHFFFAOYSA-N 1 1 284.190 3.787 40 0 CHABMO CCCNc1ncccc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072213155 567918134 /nfs/dbraw/zinc/91/81/34/567918134.db2.gz MMOCIWKHBDAZJF-OAHLLOKOSA-N 1 1 261.413 3.839 40 0 CHABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1NC1CC1 ZINC000072213723 567919392 /nfs/dbraw/zinc/91/93/92/567919392.db2.gz RDIAZRXASJIBCR-OAHLLOKOSA-N 1 1 259.397 3.593 40 0 CHABMO c1ccc2sc([C@H]3CC[N@H+](Cc4cccnc4)C3)nc2c1 ZINC000049168953 560084943 /nfs/dbraw/zinc/08/49/43/560084943.db2.gz ZIQSDGOMSCHWKF-AWEZNQCLSA-N 1 1 295.411 3.681 40 0 biogenic,in-vitro CHABMO Cc1ccc(C2=C3C(=[NH+]CC(C)C)NC=N[C@H]3SC2)cc1 ZINC000057369756 567155312 /nfs/dbraw/zinc/15/53/12/567155312.db2.gz UYLWGJKSAUBLDY-RDJZCZTQSA-N 1 1 299.443 3.711 40 0 CHABMO Cc1ccn2c(c1)[nH+]c(-c1ccc(O)cc1)c2NC(C)C ZINC000000413699 567829657 /nfs/dbraw/zinc/82/96/57/567829657.db2.gz KELLJZHBTPISEC-UHFFFAOYSA-N 1 1 281.359 3.836 40 0 CHABMO CC[C@]1(O)C[C@@H]2c3ccccc3CC[N@H+]2C[C@@H]1CC(C)C ZINC000001678590 567841251 /nfs/dbraw/zinc/84/12/51/567841251.db2.gz RYNPJUSOZNBQIE-UHOSZYNNSA-N 1 1 287.447 3.793 40 0 CHABMO CC[N@@H+](Cc1sccc1Br)C(C)C ZINC000043560086 567860671 /nfs/dbraw/zinc/86/06/71/567860671.db2.gz VWVGMPAQUWKQCI-UHFFFAOYSA-N 1 1 262.216 3.741 40 0 CHABMO Cc1cc(/C=C/C2=CC[N@@H+](C)CC2)c(C)n1C1CC1 ZINC000012154303 567862331 /nfs/dbraw/zinc/86/23/31/567862331.db2.gz OLLFHPJVCGGLMI-SNAWJCMRSA-N 1 1 256.393 3.715 40 0 CHABMO Cc1ccc(C[N@H+](C)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019210124 567877315 /nfs/dbraw/zinc/87/73/15/567877315.db2.gz UZMXGIYKFYCYJU-RBUKOAKNSA-N 1 1 299.389 3.749 40 0 CHABMO CC[N@@H+]1CC=C(c2nc3cc(C)c(C)cc3o2)CC1 ZINC000073636008 567892971 /nfs/dbraw/zinc/89/29/71/567892971.db2.gz GJMMIKAHFWPIHI-UHFFFAOYSA-N 1 1 256.349 3.554 40 0 CHABMO CCC[N@@H+]1CC=C(c2nc3ccccc3s2)CC1 ZINC000073636251 567892998 /nfs/dbraw/zinc/89/29/98/567892998.db2.gz QNRPDEXZTUQSNG-UHFFFAOYSA-N 1 1 258.390 3.795 40 0 CHABMO Fc1cccc(Cl)c1C[NH2+]Cc1cccs1 ZINC000057364357 567895216 /nfs/dbraw/zinc/89/52/16/567895216.db2.gz WDZXRCICLGHWMX-UHFFFAOYSA-N 1 1 255.745 3.830 40 0 CHABMO Clc1cc(C[NH+]2CCCC2)ccc1Br ZINC000090411229 567907992 /nfs/dbraw/zinc/90/79/92/567907992.db2.gz ZDWVKCIIWFUASO-UHFFFAOYSA-N 1 1 274.589 3.698 40 0 CHABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1OCC ZINC000072211863 567917620 /nfs/dbraw/zinc/91/76/20/567917620.db2.gz JIZSCYOCYBZTCG-OAHLLOKOSA-N 1 1 262.397 3.807 40 0 CHABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1Cl ZINC000072211519 567917815 /nfs/dbraw/zinc/91/78/15/567917815.db2.gz JKMUYIKSQWZHRV-CYBMUJFWSA-N 1 1 252.789 3.918 40 0 CHABMO Cc1ccncc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072211388 567917907 /nfs/dbraw/zinc/91/79/07/567917907.db2.gz SLWSFWBQMBDCQU-QGZVFWFLSA-N 1 1 252.361 3.727 40 0 CHABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1NCCC ZINC000072213140 567918174 /nfs/dbraw/zinc/91/81/74/567918174.db2.gz QMZAOKKRICTAQZ-HNNXBMFYSA-N 1 1 261.413 3.841 40 0 CHABMO O=c1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)c[nH]1 ZINC000072212274 567918382 /nfs/dbraw/zinc/91/83/82/567918382.db2.gz QQZUJZSQCHLLLV-MRXNPFEDSA-N 1 1 268.360 3.514 40 0 CHABMO CCN(CC)c1ccc([C@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072212840 567918598 /nfs/dbraw/zinc/91/85/98/567918598.db2.gz LEULWFVPQUYQBN-MRXNPFEDSA-N 1 1 275.440 3.721 40 0 CHABMO CC[C@H](C)Nc1ccc([C@@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072213504 567918801 /nfs/dbraw/zinc/91/88/01/567918801.db2.gz OBRGPSBTKPREKR-ZFWWWQNUSA-N 1 1 261.413 3.837 40 0 CHABMO CCCCNc1ccc([C@@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072213657 567918839 /nfs/dbraw/zinc/91/88/39/567918839.db2.gz VWWTUUMLHAYQKR-HNNXBMFYSA-N 1 1 261.413 3.839 40 0 CHABMO CCC[N@H+]1CCC[C@@H]1c1ccc(NC2CCC2)nc1 ZINC000072213839 567918847 /nfs/dbraw/zinc/91/88/47/567918847.db2.gz XBHBAWNZMYOTPJ-OAHLLOKOSA-N 1 1 259.397 3.593 40 0 CHABMO C[N@H+]1CCCC[C@@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213972 567919212 /nfs/dbraw/zinc/91/92/12/567919212.db2.gz VXPHLIDMTIWLBX-OAHLLOKOSA-N 1 1 259.397 3.593 40 0 CHABMO C[N@H+]1CCCC[C@@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216656 567920453 /nfs/dbraw/zinc/92/04/53/567920453.db2.gz JSZKNZWRGNWSBD-MRXNPFEDSA-N 1 1 273.424 3.619 40 0 CHABMO Cc1cc(Cl)ncc1[C@H]1CCC[N@@H+]1CC(C)C ZINC000072217844 567920481 /nfs/dbraw/zinc/92/04/81/567920481.db2.gz QAXQVDCTZOAMSO-CYBMUJFWSA-N 1 1 252.789 3.836 40 0 CHABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216046 567920767 /nfs/dbraw/zinc/92/07/67/567920767.db2.gz NEDNRMHCNBMXJV-KRWDZBQOSA-N 1 1 287.451 3.865 40 0 CHABMO Cc1cc(=O)[nH]cc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072218167 567921008 /nfs/dbraw/zinc/92/10/08/567921008.db2.gz YXVBGJNEEKPYSG-QGZVFWFLSA-N 1 1 282.387 3.823 40 0 CHABMO CNc1cc(C)c([C@@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072219037 567921484 /nfs/dbraw/zinc/92/14/84/567921484.db2.gz ZMQJGEHXEZQRGT-ZDUSSCGKSA-N 1 1 291.395 3.504 40 0 CHABMO CNc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)c(C)n1 ZINC000072219089 567921602 /nfs/dbraw/zinc/92/16/02/567921602.db2.gz BFVRLGVVVMKXLJ-KRWDZBQOSA-N 1 1 281.403 3.769 40 0 CHABMO CC[N@H+]1CCCC[C@H]1c1cnc(N2CCCCC2)cc1C ZINC000072219237 567921700 /nfs/dbraw/zinc/92/17/00/567921700.db2.gz PVIZCTHGELKOQT-KRWDZBQOSA-N 1 1 287.451 3.927 40 0 CHABMO CCCC[N@H+]1CCC[C@H]1c1c(OC)cccc1OC ZINC000072221426 567921751 /nfs/dbraw/zinc/92/17/51/567921751.db2.gz CPPIRHUPMGLVJS-ZDUSSCGKSA-N 1 1 263.381 3.641 40 0 CHABMO CC[N@H+]1CCC[C@H]1c1ccc(N2CCCCC2)nc1C ZINC000072219272 567921777 /nfs/dbraw/zinc/92/17/77/567921777.db2.gz BHIYMWBYGQCWBN-INIZCTEOSA-N 1 1 273.424 3.537 40 0 CHABMO CC[N@H+]1CCC[C@H]1c1cnc(N2CCCCC2)cc1C ZINC000072219212 567921872 /nfs/dbraw/zinc/92/18/72/567921872.db2.gz UCHFJJKMYARSRW-INIZCTEOSA-N 1 1 273.424 3.537 40 0 CHABMO CC[N@H+]1CCC[C@@H]1c1cnc(N2CCCCC2)cc1C ZINC000072219211 567921903 /nfs/dbraw/zinc/92/19/03/567921903.db2.gz UCHFJJKMYARSRW-MRXNPFEDSA-N 1 1 273.424 3.537 40 0 CHABMO CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1ccc(-c2ccccc2)cc1 ZINC000085650611 179110128 /nfs/dbraw/zinc/11/01/28/179110128.db2.gz RCZZTUBQVGHILS-KRWDZBQOSA-N 1 1 297.398 3.565 40 0 CHABMO CCCn1nc(C2CC2)cc1C[NH2+]Cc1ccc(F)s1 ZINC000256053146 190004434 /nfs/dbraw/zinc/00/44/34/190004434.db2.gz QFKTYFWTWYAEHJ-UHFFFAOYSA-N 1 1 293.411 3.661 40 0 CHABMO Cc1c[nH]c([C@@H]2CCC[N@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000257334213 190035360 /nfs/dbraw/zinc/03/53/60/190035360.db2.gz YFAQFNGYWUUQPA-INIZCTEOSA-N 1 1 280.375 3.537 40 0 CHABMO CCCC[N@H+]1CCC[C@@H]1c1c[nH]c(=S)cc1C ZINC000072218325 256708340 /nfs/dbraw/zinc/70/83/40/256708340.db2.gz BACFDWQOOLTLLS-CYBMUJFWSA-N 1 1 250.411 3.616 40 0 CHABMO O=C(CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccccc1F ZINC000004934830 170042328 /nfs/dbraw/zinc/04/23/28/170042328.db2.gz HJBRVVDCPXNIPI-KBPBESRZSA-N 1 1 275.367 3.521 40 0 CHABMO CC[C@H]1C[C@H]2C[C@H]3c4[nH]c5ccc(O)cc5c4CC[N@H+](C2)[C@@H]31 ZINC000006424653 170200215 /nfs/dbraw/zinc/20/02/15/170200215.db2.gz RAUCDOKTMDOIPF-PUVSGCPBSA-N 1 1 296.414 3.634 40 0 CHABMO Cc1cccc(-c2cccc([C@H]3CCC[N@H+](C)C3)n2)c1 ZINC000072348548 176373873 /nfs/dbraw/zinc/37/38/73/176373873.db2.gz QTJOGVGUNQJIRW-INIZCTEOSA-N 1 1 266.388 3.866 40 0 CHABMO C[N@H+]1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072358368 176376457 /nfs/dbraw/zinc/37/64/57/176376457.db2.gz WUGBIZSYOULTQC-ZDUSSCGKSA-N 1 1 287.794 3.606 40 0 CHABMO CC(C)[N@H+]1CCC[C@H]1c1cccc(NCc2ccncc2)n1 ZINC000072364981 176379924 /nfs/dbraw/zinc/37/99/24/176379924.db2.gz VYIFJYDUAXLIML-KRWDZBQOSA-N 1 1 296.418 3.634 40 0 CHABMO Cc1ccsc1C[N@H+](Cc1cccs1)C[C@H](C)O ZINC000013991349 567912249 /nfs/dbraw/zinc/91/22/49/567912249.db2.gz LAEMBVJICWTPIR-LBPRGKRZSA-N 1 1 281.446 3.501 40 0 CHABMO c1csc(C[N@H+]2CC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000049168889 560084808 /nfs/dbraw/zinc/08/48/08/560084808.db2.gz PXFNZPCQUHNHLH-LBPRGKRZSA-N 1 1 284.384 3.879 40 0 biogenic,in-vitro CHABMO COC(=O)c1ccc(Nc2cc[nH+]c3ccccc23)cc1 ZINC000026507703 566945370 /nfs/dbraw/zinc/94/53/70/566945370.db2.gz GUEFUBLATXMZHZ-UHFFFAOYSA-N 1 1 278.311 3.765 40 0 CHABMO CCC[N@H+]1CCC[C@@H]1c1cccnc1N[C@H](C)CC ZINC000108368492 567104214 /nfs/dbraw/zinc/10/42/14/567104214.db2.gz NORPIJXUDNAOFT-UKRRQHHQSA-N 1 1 261.413 3.839 40 0 CHABMO Cc1ccc(C(=O)CC[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)cc1 ZINC000001615810 567839355 /nfs/dbraw/zinc/83/93/55/567839355.db2.gz MMBCFNSKTNXEJX-HOTGVXAUSA-N 1 1 271.404 3.690 40 0 CHABMO C[C@H]1[C@H](O)C[C@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1 ZINC000004375815 567856987 /nfs/dbraw/zinc/85/69/87/567856987.db2.gz FAHFBUDMUKEFDS-PIKADFDJSA-N 1 1 281.399 3.802 40 0 CHABMO C[C@@H]1CCC[N@@H+](Cc2ccccc2Br)C1 ZINC000042205912 567891181 /nfs/dbraw/zinc/89/11/81/567891181.db2.gz WPQXIRYYMZJHNN-LLVKDONJSA-N 1 1 268.198 3.681 40 0 CHABMO C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1Cl ZINC000031912055 567885676 /nfs/dbraw/zinc/88/56/76/567885676.db2.gz YZHZTOJXJQQTES-MRXNPFEDSA-N 1 1 275.779 3.505 40 0 CHABMO C[N@H+]1CCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217347 567919617 /nfs/dbraw/zinc/91/96/17/567919617.db2.gz CJOBJSYONVQAGN-GFCCVEGCSA-N 1 1 250.411 3.739 40 0 CHABMO Cc1cccnc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072211121 567917593 /nfs/dbraw/zinc/91/75/93/567917593.db2.gz ASHBIZXTLZJOPU-INIZCTEOSA-N 1 1 252.361 3.727 40 0 CHABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1Br ZINC000072211617 567917696 /nfs/dbraw/zinc/91/76/96/567917696.db2.gz ZHLXFBDEFRXDAR-LBPRGKRZSA-N 1 1 283.213 3.781 40 0 CHABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1OC(C)C ZINC000072211964 567917991 /nfs/dbraw/zinc/91/79/91/567917991.db2.gz YLMJFHWUEORBEY-OAHLLOKOSA-N 1 1 262.397 3.806 40 0 CHABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1N(CC)CC ZINC000072212915 567918225 /nfs/dbraw/zinc/91/82/25/567918225.db2.gz SXSUIIVLJSQHCG-INIZCTEOSA-N 1 1 275.440 3.865 40 0 CHABMO CCC[N@H+]1CCC[C@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213960 567919078 /nfs/dbraw/zinc/91/90/78/567919078.db2.gz MUZGPACWTJGUJA-INIZCTEOSA-N 1 1 273.424 3.983 40 0 CHABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(NC2CCC2)nc1 ZINC000072213856 567919188 /nfs/dbraw/zinc/91/91/88/567919188.db2.gz ZICVQQHMNWOSBL-MRXNPFEDSA-N 1 1 273.424 3.983 40 0 CHABMO C[N@H+]1CCC[C@@H]1c1cccnc1NC1CCCCC1 ZINC000072214003 567919207 /nfs/dbraw/zinc/91/92/07/567919207.db2.gz ZWMHTWULULHERO-OAHLLOKOSA-N 1 1 259.397 3.593 40 0 CHABMO CCC[N@H+]1CCCC[C@H]1c1ccc(NC2CCC2)nc1 ZINC000072213857 567919286 /nfs/dbraw/zinc/91/92/86/567919286.db2.gz ZICVQQHMNWOSBL-INIZCTEOSA-N 1 1 273.424 3.983 40 0 CHABMO CC(C)[N@H+]1CCCC[C@@H]1c1ccc(NC2CC2)nc1 ZINC000072213798 567919307 /nfs/dbraw/zinc/91/93/07/567919307.db2.gz PTTNMSQWJDHPPA-OAHLLOKOSA-N 1 1 259.397 3.591 40 0 CHABMO CC[C@H](C)Nc1ccc([C@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072213506 567919322 /nfs/dbraw/zinc/91/93/22/567919322.db2.gz OBRGPSBTKPREKR-DZGCQCFKSA-N 1 1 261.413 3.837 40 0 CHABMO C[N@H+]1CCCC[C@H]1c1cccnc1Nc1ccccc1 ZINC000072214153 567919555 /nfs/dbraw/zinc/91/95/55/567919555.db2.gz QFGZUVMZLOAUSK-INIZCTEOSA-N 1 1 267.376 3.982 40 0 CHABMO CCC[N@H+]1C[C@@H](C)[C@](OC(C)=O)(c2ccccc2)C[C@@H]1C ZINC000004188676 1120678027 /nfs/dbraw/zinc/67/80/27/1120678027.db2.gz KOICPRXXJBUEBL-VKJFTORMSA-N 1 1 289.419 3.585 40 0 CHABMO CC(C)n1nc(C2CC2)cc1C[NH2+]Cc1ccc(F)s1 ZINC000256049552 190002724 /nfs/dbraw/zinc/00/27/24/190002724.db2.gz AKHPBQVWBSXIIT-UHFFFAOYSA-N 1 1 293.411 3.832 40 0 CHABMO CCn1nccc1-c1cccc([C@H]2CCC[N@H+]2C(C)C)n1 ZINC000257322166 190033470 /nfs/dbraw/zinc/03/34/70/190033470.db2.gz WEVDAJZBOIQPKK-MRXNPFEDSA-N 1 1 284.407 3.510 40 0 CHABMO Cc1c[nH]c([C@H]2CCC[N@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000257334214 190035334 /nfs/dbraw/zinc/03/53/34/190035334.db2.gz YFAQFNGYWUUQPA-MRXNPFEDSA-N 1 1 280.375 3.537 40 0 CHABMO COc1cccc(C[NH2+]Cc2ccccc2Cl)c1OC ZINC000008495196 170337949 /nfs/dbraw/zinc/33/79/49/170337949.db2.gz XUIFGHJTWLEOMW-UHFFFAOYSA-N 1 1 291.778 3.647 40 0 CHABMO C[N@H+]1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000072348572 176373470 /nfs/dbraw/zinc/37/34/70/176373470.db2.gz JWUFYHSVNWVEOZ-HNNXBMFYSA-N 1 1 284.378 3.621 40 0 CHABMO C[N@H+]1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000072348553 176373705 /nfs/dbraw/zinc/37/37/05/176373705.db2.gz QQFZQZVZFZVBAY-AWEZNQCLSA-N 1 1 270.351 3.697 40 0 CHABMO Cc1nccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2F)n1 ZINC000072384964 176388783 /nfs/dbraw/zinc/38/87/83/176388783.db2.gz YVBIWWMAEVBZFF-KRWDZBQOSA-N 1 1 285.366 3.651 40 0 CHABMO Cc1nccc([C@@H]2CCCC[N@H+]2Cc2ccccc2F)n1 ZINC000072384964 176388785 /nfs/dbraw/zinc/38/87/85/176388785.db2.gz YVBIWWMAEVBZFF-KRWDZBQOSA-N 1 1 285.366 3.651 40 0 CHABMO COc1cccc(C[N@H+]2CCCC[C@@H]2c2ccnc(C)n2)c1 ZINC000072385063 176389444 /nfs/dbraw/zinc/38/94/44/176389444.db2.gz PLBPCXYIYHYZNY-GOSISDBHSA-N 1 1 297.402 3.521 40 0 CHABMO C[C@@H]1C[C@H](C)C[N@H+](CCCCOc2cccc(C=O)c2)C1 ZINC000217795345 533797006 /nfs/dbraw/zinc/79/70/06/533797006.db2.gz PGVUUDCCVVLVQM-IYBDPMFKSA-N 1 1 289.419 3.636 40 0 CHABMO CCSc1ccc([C@@H]2CCCC[N@H+]2CC)cn1 ZINC000072217138 567921224 /nfs/dbraw/zinc/92/12/24/567921224.db2.gz ASXFAWIRLBQIDB-ZDUSSCGKSA-N 1 1 250.411 3.741 40 0 CHABMO CCCC[N@H+]1CCCC[C@H]1c1cnc(OC)c(C)c1 ZINC000072217746 567920663 /nfs/dbraw/zinc/92/06/63/567920663.db2.gz WLRPOAYLXWZBFG-HNNXBMFYSA-N 1 1 262.397 3.726 40 0 CHABMO Cc1ccc2[nH]c([C@H]3CC[N@H+](C4CCCCC4)C3)nc2c1 ZINC000049168987 560084936 /nfs/dbraw/zinc/08/49/36/560084936.db2.gz ISYMAFVDMFWSTA-AWEZNQCLSA-N 1 1 283.419 3.993 40 0 biogenic,in-vitro CHABMO Cc1ccc2nc([C@H]3CC[N@@H+](C4CCCCC4)C3)[nH]c2c1 ZINC000049168987 560084938 /nfs/dbraw/zinc/08/49/38/560084938.db2.gz ISYMAFVDMFWSTA-AWEZNQCLSA-N 1 1 283.419 3.993 40 0 biogenic,in-vitro CHABMO Cc1ccc2nc([C@H]3CC[N@H+](C4CCCCC4)C3)[nH]c2c1 ZINC000049168987 560084939 /nfs/dbraw/zinc/08/49/39/560084939.db2.gz ISYMAFVDMFWSTA-AWEZNQCLSA-N 1 1 283.419 3.993 40 0 biogenic,in-vitro CHABMO Cc1ccc(C(=O)CC[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)cc1C ZINC000001615823 567839490 /nfs/dbraw/zinc/83/94/90/567839490.db2.gz MFAHKSHUHHQIIO-IRXDYDNUSA-N 1 1 285.431 3.998 40 0 CHABMO C[C@H]1CC(c2ccccc2)(c2ccccc2)C[N@H+]1C ZINC000001769047 567843405 /nfs/dbraw/zinc/84/34/05/567843405.db2.gz VWXFASZGGRDJAU-HNNXBMFYSA-N 1 1 251.373 3.697 40 0 CHABMO CCOc1cc2c(cc1OC)CC[N@@H+](C)[C@@H]2CC(C)C ZINC000003847397 567854037 /nfs/dbraw/zinc/85/40/37/567854037.db2.gz SVKASDAOKTXBIR-OAHLLOKOSA-N 1 1 277.408 3.669 40 0 CHABMO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2cccc(O)c2)no1 ZINC000019119426 567877235 /nfs/dbraw/zinc/87/72/35/567877235.db2.gz HPBOQKLELFYTQU-QGZVFWFLSA-N 1 1 286.375 3.806 40 0 CHABMO Cc1cc([C@H]2CCCCC[N@H+]2Cc2cccc(O)c2)no1 ZINC000019119426 567877236 /nfs/dbraw/zinc/87/72/36/567877236.db2.gz HPBOQKLELFYTQU-QGZVFWFLSA-N 1 1 286.375 3.806 40 0 CHABMO CC[C@H]1N2CCc3c4ccccc4[nH]c3[C@@H]2[C@H]2CCCC[N@@H+]21 ZINC000019339321 567877347 /nfs/dbraw/zinc/87/73/47/567877347.db2.gz WETNQTVELGGQDM-LMMKCTJWSA-N 1 1 295.430 3.671 40 0 CHABMO CC[C@H]1N2CCc3c4ccccc4[nH]c3[C@@H]2[C@H]2CCCC[N@H+]21 ZINC000019339321 567877348 /nfs/dbraw/zinc/87/73/48/567877348.db2.gz WETNQTVELGGQDM-LMMKCTJWSA-N 1 1 295.430 3.671 40 0 CHABMO Nc1cc[nH+]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000036533606 567889390 /nfs/dbraw/zinc/88/93/90/567889390.db2.gz HYBGMYPZHMAZOG-UHFFFAOYSA-N 1 1 280.171 3.855 40 0 CHABMO C[N@H+]1CCC[C@H]1c1cccnc1Oc1ccccc1 ZINC000072212185 567918316 /nfs/dbraw/zinc/91/83/16/567918316.db2.gz XTYQFACUIFRVSP-HNNXBMFYSA-N 1 1 254.333 3.641 40 0 CHABMO CC(C)CNc1ncccc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072213258 567918357 /nfs/dbraw/zinc/91/83/57/567918357.db2.gz LCZCELLFRAPVLK-MRXNPFEDSA-N 1 1 275.440 3.942 40 0 CHABMO CC(C)Oc1ncccc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072211980 567918421 /nfs/dbraw/zinc/91/84/21/567918421.db2.gz BEMMMKCMKCGQSW-HNNXBMFYSA-N 1 1 262.397 3.804 40 0 CHABMO CC(C)[N@H+]1CCCC[C@H]1c1ccc(NC2CC2)nc1 ZINC000072213799 567918771 /nfs/dbraw/zinc/91/87/71/567918771.db2.gz PTTNMSQWJDHPPA-HNNXBMFYSA-N 1 1 259.397 3.591 40 0 CHABMO CCCCNc1ccc([C@H]2CCCC[N@H+]2CC)cn1 ZINC000072213675 567918986 /nfs/dbraw/zinc/91/89/86/567918986.db2.gz MBMDAUZLYVOHAX-OAHLLOKOSA-N 1 1 261.413 3.841 40 0 CHABMO CC[N@H+]1CCC[C@H]1c1cccnc1Nc1ccccc1 ZINC000072214130 567919695 /nfs/dbraw/zinc/91/96/95/567919695.db2.gz JLGZLQINNHAURH-INIZCTEOSA-N 1 1 267.376 3.982 40 0 CHABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(OC)nc1C ZINC000072218101 567919780 /nfs/dbraw/zinc/91/97/80/567919780.db2.gz PGEDJJHDWPCGSS-HNNXBMFYSA-N 1 1 262.397 3.726 40 0 CHABMO C[N@H+]1CCC[C@H]1c1cccnc1Nc1ccccc1 ZINC000072214124 567920035 /nfs/dbraw/zinc/92/00/35/567920035.db2.gz CIIHZEFUUKFYLH-HNNXBMFYSA-N 1 1 253.349 3.592 40 0 CHABMO CCCC[N@H+]1CCCC[C@@H]1c1cnc(OC)c(C)c1 ZINC000072217745 567920120 /nfs/dbraw/zinc/92/01/20/567920120.db2.gz WLRPOAYLXWZBFG-OAHLLOKOSA-N 1 1 262.397 3.726 40 0 CHABMO C[N@H+]1CCC[C@H]1c1cccnc1Sc1ccccc1 ZINC000072217647 567920439 /nfs/dbraw/zinc/92/04/39/567920439.db2.gz VVNMLPSOUFGIAW-HNNXBMFYSA-N 1 1 270.401 4.000 40 0 CHABMO CSc1ncccc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072216962 567921041 /nfs/dbraw/zinc/92/10/41/567921041.db2.gz ZSXAXJUGCFLXHX-ZDUSSCGKSA-N 1 1 250.411 3.739 40 0 CHABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc[nH]c1=S ZINC000072217083 567921365 /nfs/dbraw/zinc/92/13/65/567921365.db2.gz PHCRMJZSMGPPHB-CYBMUJFWSA-N 1 1 250.411 3.553 40 0 CHABMO Cc1cc([C@H]2CCCC[N@@H+]2C(C)C)cnc1N1CCCC1 ZINC000072218821 567921592 /nfs/dbraw/zinc/92/15/92/567921592.db2.gz UEMCCGXZFJMUHD-QGZVFWFLSA-N 1 1 287.451 3.926 40 0 CHABMO CCCC[N@H+]1CCCC[C@H]1c1cnc(NC)cc1C ZINC000072219065 567921611 /nfs/dbraw/zinc/92/16/11/567921611.db2.gz XAEVGDKYKWGDEW-HNNXBMFYSA-N 1 1 261.413 3.759 40 0 CHABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(N(C)C)nc1C ZINC000072218764 567921720 /nfs/dbraw/zinc/92/17/20/567921720.db2.gz CZBAUVHJUSIXJW-MRXNPFEDSA-N 1 1 275.440 3.783 40 0 CHABMO CCC[N@H+]1CCCC[C@H]1c1c(OC)cccc1OC ZINC000072221437 567921759 /nfs/dbraw/zinc/92/17/59/567921759.db2.gz YFXGOEPGTDXKKS-ZDUSSCGKSA-N 1 1 263.381 3.641 40 0 CHABMO Cc1nc(N2CCCCC2)ccc1[C@@H]1CCCC[N@@H+]1C ZINC000072219294 567921841 /nfs/dbraw/zinc/92/18/41/567921841.db2.gz UYHMXXMEPCPVBC-INIZCTEOSA-N 1 1 273.424 3.537 40 0 CHABMO Cc1[nH+]c(NC(C)(C)C)ccc1CNC(=O)OC(C)(C)C ZINC000072225009 567922537 /nfs/dbraw/zinc/92/25/37/567922537.db2.gz BMXMRNTXCRYUNR-UHFFFAOYSA-N 1 1 293.411 3.625 40 0 CHABMO Cc1cc(NC(C)(C)C)[nH+]cc1CNC(=O)OC(C)(C)C ZINC000072223967 567922609 /nfs/dbraw/zinc/92/26/09/567922609.db2.gz MCKHMYHXXJWZBO-UHFFFAOYSA-N 1 1 293.411 3.625 40 0 CHABMO CCCCOc1c(C)cc(-c2noc([C@H](C)[NH3+])n2)cc1C ZINC000095095351 567940870 /nfs/dbraw/zinc/94/08/70/567940870.db2.gz IRDFZGHQTHDGIK-LBPRGKRZSA-N 1 1 289.379 3.552 40 0 CHABMO CC[NH2+][C@H](c1ccccc1)P(=O)(OCC)OCC ZINC000090460007 570352481 /nfs/dbraw/zinc/35/24/81/570352481.db2.gz PKVYTCDYMVCIBP-ZDUSSCGKSA-N 1 1 271.297 3.561 40 0 CHABMO C[C@@H]1CCCC[N@H+]1CCCCOc1ccccc1C=O ZINC000217795941 230396739 /nfs/dbraw/zinc/39/67/39/230396739.db2.gz WMIWTTWSWAXQPG-OAHLLOKOSA-N 1 1 275.392 3.533 40 0 CHABMO CC[C@H](C)Nc1cc(N2CCc3ccccc3C2)[nH+]c(C)n1 ZINC000244420075 136386402 /nfs/dbraw/zinc/38/64/02/136386402.db2.gz YTAZBEXXALZAIB-ZDUSSCGKSA-N 1 1 296.418 3.558 40 0 CHABMO Cc1nccc([C@@H]2CCCC[N@H+]2Cc2cccs2)n1 ZINC000257229965 190016121 /nfs/dbraw/zinc/01/61/21/190016121.db2.gz GAECQUOEVIAMTA-HNNXBMFYSA-N 1 1 273.405 3.574 40 0 CHABMO CCCn1nccc1-c1cccc([C@@H]2CCC[N@H+]2C(C)C)n1 ZINC000257333897 190035540 /nfs/dbraw/zinc/03/55/40/190035540.db2.gz YDOXMKLIDPCZCG-KRWDZBQOSA-N 1 1 298.434 3.900 40 0 CHABMO CS[C@@H]1[NH+]=C(c2ccccc2)NC2=C1CCCC2 ZINC000005919118 170155548 /nfs/dbraw/zinc/15/55/48/170155548.db2.gz DKWPIOCXAMJVOY-HNNXBMFYSA-N 1 1 258.390 3.554 40 0 CHABMO CC(=O)OCC[C@@H](C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000008628629 170343680 /nfs/dbraw/zinc/34/36/80/170343680.db2.gz RWYJEGDSGDASIB-SNVBAGLBSA-N 1 1 292.766 3.642 40 0 CHABMO C[NH+](C)[C@H](Cc1ccccc1)C(=O)c1cc2ccccc2o1 ZINC000009514984 170380083 /nfs/dbraw/zinc/38/00/83/170380083.db2.gz MKROPNILIRXSKL-MRXNPFEDSA-N 1 1 293.366 3.788 40 0 CHABMO C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000009996356 170393463 /nfs/dbraw/zinc/39/34/63/170393463.db2.gz HLUVGDBTIZIQQH-LLVKDONJSA-N 1 1 268.198 3.681 40 0 CHABMO COc1ccc(-c2cccc([C@H]3CCC[N@@H+](C)C3)n2)cc1 ZINC000072348559 176373453 /nfs/dbraw/zinc/37/34/53/176373453.db2.gz AWEYGYLEOJNSNG-HNNXBMFYSA-N 1 1 282.387 3.566 40 0 CHABMO C[N@H+]1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072348576 176373743 /nfs/dbraw/zinc/37/37/43/176373743.db2.gz FYVKJQSHEDNGSG-OAHLLOKOSA-N 1 1 284.378 3.621 40 0 CHABMO CCCC[N@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000057621210 566842328 /nfs/dbraw/zinc/84/23/28/566842328.db2.gz YUEUWBBCKUTPEO-HNNXBMFYSA-N 1 1 263.381 3.641 40 0 CHABMO CC(C)C(=O)OC1(C[C@H]2CCCC[N@H+]2C)CCCCC1 ZINC000001666112 567840644 /nfs/dbraw/zinc/84/06/44/567840644.db2.gz CKEBQOGILHINAE-OAHLLOKOSA-N 1 1 281.440 3.763 40 0 CHABMO C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[N@H+]2Cc1ccoc1 ZINC000005492541 567859537 /nfs/dbraw/zinc/85/95/37/567859537.db2.gz MSBGXQSDBDHIGV-MJXNMMHHSA-N 1 1 297.398 3.710 40 0 CHABMO CSC(=[NH2+])c1cccc(OCCOc2ccccc2)c1 ZINC000017039897 567874630 /nfs/dbraw/zinc/87/46/30/567874630.db2.gz AXODZZWFGQXYOW-UHFFFAOYSA-N 1 1 287.384 3.833 40 0 CHABMO Cc1cc([C@H]2CCCCC[N@H+]2Cc2ccc(O)cc2)on1 ZINC000019120270 567877454 /nfs/dbraw/zinc/87/74/54/567877454.db2.gz VHROQJNJJAILJG-MRXNPFEDSA-N 1 1 286.375 3.806 40 0 CHABMO CC[NH+](CC)c1ccc(-n2cnc3ccccc32)cc1 ZINC000073740205 567890197 /nfs/dbraw/zinc/89/01/97/567890197.db2.gz VEULRQFCYPZXEA-UHFFFAOYSA-N 1 1 265.360 3.872 40 0 CHABMO COc1cccc(C(=O)[C@@H](C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000077028761 567890545 /nfs/dbraw/zinc/89/05/45/567890545.db2.gz LPCUZXHCGXGQPJ-HNNXBMFYSA-N 1 1 297.398 3.646 40 0 CHABMO C[NH+](C)Cc1cc(C(F)(F)F)ccc1Br ZINC000090411269 567907963 /nfs/dbraw/zinc/90/79/63/567907963.db2.gz JSEUXQGFCPBRIF-UHFFFAOYSA-N 1 1 282.103 3.530 40 0 CHABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(OCC)nc1 ZINC000072211804 567917414 /nfs/dbraw/zinc/91/74/14/567917414.db2.gz YDCHWPGNUJLEBB-HNNXBMFYSA-N 1 1 262.397 3.807 40 0 CHABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1OCC ZINC000072211864 567917739 /nfs/dbraw/zinc/91/77/39/567917739.db2.gz JIZSCYOCYBZTCG-HNNXBMFYSA-N 1 1 262.397 3.807 40 0 CHABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(N(C)CC)nc1 ZINC000072212741 567918448 /nfs/dbraw/zinc/91/84/48/567918448.db2.gz LAYBPLYXAQKWOF-INIZCTEOSA-N 1 1 275.440 3.865 40 0 CHABMO CC(C)N(c1ccc([C@@H]2CCCC[N@H+]2C)cn1)C(C)C ZINC000072212970 567918603 /nfs/dbraw/zinc/91/86/03/567918603.db2.gz NSIKWAUSYNIPQK-INIZCTEOSA-N 1 1 275.440 3.862 40 0 CHABMO CC(C)[N@H+]1CCC[C@H]1c1ccc(NC2CCC2)nc1 ZINC000072213838 567918810 /nfs/dbraw/zinc/91/88/10/567918810.db2.gz DJGPUCFARRPBDB-HNNXBMFYSA-N 1 1 259.397 3.591 40 0 CHABMO CC[N@H+]1CCCC[C@H]1c1cccnc1NCC(C)C ZINC000072213271 567918821 /nfs/dbraw/zinc/91/88/21/567918821.db2.gz BVJKSJNEVTYBPE-HNNXBMFYSA-N 1 1 261.413 3.696 40 0 CHABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(NC2CCC2)nc1 ZINC000072213843 567918835 /nfs/dbraw/zinc/91/88/35/567918835.db2.gz DVKVXMFBYQGCNK-MRXNPFEDSA-N 1 1 273.424 3.983 40 0 CHABMO CC[N@H+]1CCCC[C@H]1c1cccnc1NC1CCC1 ZINC000072213915 567919053 /nfs/dbraw/zinc/91/90/53/567919053.db2.gz QIQPXMKILYEWBF-HNNXBMFYSA-N 1 1 259.397 3.593 40 0 CHABMO CC[N@H+]1CCC[C@@H]1c1ccc(SC(C)C)nc1 ZINC000072217472 567919442 /nfs/dbraw/zinc/91/94/42/567919442.db2.gz XRFJEEBWVLLLOV-CYBMUJFWSA-N 1 1 250.411 3.739 40 0 CHABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(Cl)nc1C ZINC000072217918 567920339 /nfs/dbraw/zinc/92/03/39/567920339.db2.gz LHNPETNSBCQQIC-CYBMUJFWSA-N 1 1 252.789 3.980 40 0 CHABMO CC[N@H+]1CCC[C@@H]1c1cccnc1SC(C)C ZINC000072217532 567920530 /nfs/dbraw/zinc/92/05/30/567920530.db2.gz KUJSNLZMMNYOPE-CYBMUJFWSA-N 1 1 250.411 3.739 40 0 CHABMO CCC[N@H+]1CCCC[C@@H]1c1cnc(Cl)cc1C ZINC000072217858 567920779 /nfs/dbraw/zinc/92/07/79/567920779.db2.gz LKYVPOPVNWGHPE-CYBMUJFWSA-N 1 1 252.789 3.980 40 0 CHABMO CSc1ncccc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072216961 567921159 /nfs/dbraw/zinc/92/11/59/567921159.db2.gz ZSXAXJUGCFLXHX-CYBMUJFWSA-N 1 1 250.411 3.739 40 0 CHABMO CCSc1ccc([C@@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072217120 567921169 /nfs/dbraw/zinc/92/11/69/567921169.db2.gz RGVJOHMSTSIWDR-ZDUSSCGKSA-N 1 1 250.411 3.739 40 0 CHABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc[nH]c1=S ZINC000072217085 567921390 /nfs/dbraw/zinc/92/13/90/567921390.db2.gz KHYHNSPPXWBHPO-CYBMUJFWSA-N 1 1 250.411 3.697 40 0 CHABMO Cc1cc(N2CCCC2)ncc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072218880 567921671 /nfs/dbraw/zinc/92/16/71/567921671.db2.gz ZOEBPJDOMHNBPW-KRWDZBQOSA-N 1 1 287.451 3.926 40 0 CHABMO Cc1cc(NC(C)(C)C)[nH+]cc1[C@@H](O)c1ccccc1 ZINC000072223975 567922799 /nfs/dbraw/zinc/92/27/99/567922799.db2.gz DHILGEVGYFVLSZ-INIZCTEOSA-N 1 1 270.376 3.682 40 0 CHABMO C[C@H]1CCC[C@@H](N2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC000224087134 567951386 /nfs/dbraw/zinc/95/13/86/567951386.db2.gz PRIBEPJSCZVEBS-RCCFBDPRSA-N 1 1 276.468 3.539 40 0 CHABMO CCCN(Cc1ccccn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000013992614 570285182 /nfs/dbraw/zinc/28/51/82/570285182.db2.gz BWEUCAXTFZFMEE-UHFFFAOYSA-N 1 1 289.467 3.603 40 0 CHABMO Cc1cn2c(nc(Cl)c2C[NH2+]Cc2ccccc2)s1 ZINC000256053647 570393445 /nfs/dbraw/zinc/39/34/45/570393445.db2.gz SGNQEYIYHAWLRY-UHFFFAOYSA-N 1 1 291.807 3.647 40 0 CHABMO CCC[N@@H+](CC)[C@H](CC)C(=O)Nc1c(C)cccc1C ZINC000000896998 1129778025 /nfs/dbraw/zinc/77/80/25/1129778025.db2.gz VTUSIVBDOCDNHS-OAHLLOKOSA-N 1 1 276.424 3.752 40 0 world CHABMO CSc1ncccc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072216945 256710661 /nfs/dbraw/zinc/71/06/61/256710661.db2.gz OFXOYTSIHFBOAY-ZDUSSCGKSA-N 1 1 250.411 3.596 40 0 CHABMO c1ccc(C[N@H+]2CCC[C@H]2c2cccnc2NC2CC2)cc1 ZINC000072213708 256712518 /nfs/dbraw/zinc/71/25/18/256712518.db2.gz FWJCJBGEVSBMHG-SFHVURJKSA-N 1 1 293.414 3.993 40 0 CHABMO COc1ccc(C[C@H]2C3=C(CCCC3)CC[N@@H+]2C)cc1 ZINC000005766173 170138591 /nfs/dbraw/zinc/13/85/91/170138591.db2.gz CRXXSGLBECOUQH-SFHVURJKSA-N 1 1 271.404 3.812 40 0 CHABMO c1ccc2c(c1)[nH]c1c2CC[N@H+]2C[C@@H]3CC=CC[C@@H]3[C@@H]12 ZINC000006000107 170166334 /nfs/dbraw/zinc/16/63/34/170166334.db2.gz OUQFYCOJMMHQMV-LXIYXOSZSA-N 1 1 264.372 3.663 40 0 CHABMO CC[N@@H+](Cc1ccncc1)Cc1ccc(SC)cc1 ZINC000006026433 170169910 /nfs/dbraw/zinc/16/99/10/170169910.db2.gz AFACLIYIKSHPAI-UHFFFAOYSA-N 1 1 272.417 3.826 40 0 CHABMO c1csc(C[N@H+]2CC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000035446654 172202833 /nfs/dbraw/zinc/20/28/33/172202833.db2.gz XSZKDPJCSLEGDE-LBPRGKRZSA-N 1 1 283.400 3.614 40 0 biogenic,in-vitro CHABMO C[N@H+]1CCC[C@H]1c1cccc(Cc2ccc(F)cc2)n1 ZINC000072357514 176376066 /nfs/dbraw/zinc/37/60/66/176376066.db2.gz YTACZXAEFUUTDZ-KRWDZBQOSA-N 1 1 270.351 3.578 40 0 CHABMO C[N@@H+](Cc1cc(Br)ccc1N)C1CCCCC1 ZINC000077270997 177247523 /nfs/dbraw/zinc/24/75/23/177247523.db2.gz ZYLPFXIGTPKCAO-UHFFFAOYSA-N 1 1 297.240 3.796 40 0 in-vitro CHABMO Nc1ccc2nc(-c3cccc(Br)c3)[nH]c2c1 ZINC000019484508 567877862 /nfs/dbraw/zinc/87/78/62/567877862.db2.gz HMTPLEHTPIUWGF-UHFFFAOYSA-N 1 1 288.148 3.575 40 0 CHABMO CC[N@H+]1CCCC[C@H]1c1ccc(NCC(C)C)nc1 ZINC000072213331 567919229 /nfs/dbraw/zinc/91/92/29/567919229.db2.gz VSZXZKKBEVPYOD-HNNXBMFYSA-N 1 1 261.413 3.696 40 0 CHABMO CC1=C[C@@H](C)[C@H](C[N@@H+]2CCO[C@@H]2C(C)C)[C@@H](C)C1 ZINC000061854987 566821683 /nfs/dbraw/zinc/82/16/83/566821683.db2.gz ZINAYKAEPVIUEM-FXUDXRNXSA-N 1 1 251.414 3.539 40 0 CHABMO CC[N@H+](CCOC)[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000001594047 567838880 /nfs/dbraw/zinc/83/88/80/567838880.db2.gz BHIVVVJYEAFBIB-GOSISDBHSA-N 1 1 297.398 3.579 40 0 CHABMO CC[N@@H+](CCOC)[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000001594047 567838881 /nfs/dbraw/zinc/83/88/81/567838881.db2.gz BHIVVVJYEAFBIB-GOSISDBHSA-N 1 1 297.398 3.579 40 0 CHABMO Cc1ccsc1C[N@@H+]1CCCCC[C@@H]1c1ccn(C)n1 ZINC000019238643 567877295 /nfs/dbraw/zinc/87/72/95/567877295.db2.gz QRVHYVNIZUYJHE-OAHLLOKOSA-N 1 1 289.448 3.907 40 0 CHABMO C[C@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)C1 ZINC000019496567 567877853 /nfs/dbraw/zinc/87/78/53/567877853.db2.gz VDPLXOGYOJQZNK-BBRMVZONSA-N 1 1 299.418 3.646 40 0 CHABMO C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccc(Cl)c1 ZINC000031912050 567885381 /nfs/dbraw/zinc/88/53/81/567885381.db2.gz GPPOVAQIFWICMY-MRXNPFEDSA-N 1 1 275.779 3.505 40 0 CHABMO Clc1ccc(Cl)c2c1ncn2C[NH+]1CCCCC1 ZINC000073634261 567890343 /nfs/dbraw/zinc/89/03/43/567890343.db2.gz PSYNXRLIXZCSDF-UHFFFAOYSA-N 1 1 284.190 3.787 40 0 CHABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1SC ZINC000072216946 567890949 /nfs/dbraw/zinc/89/09/49/567890949.db2.gz YQWDNOXRJQFJGA-CYBMUJFWSA-N 1 1 250.411 3.741 40 0 CHABMO C[N@@H+]1CC=C(c2nc3ccc(Cl)cc3s2)CC1 ZINC000073638873 567893629 /nfs/dbraw/zinc/89/36/29/567893629.db2.gz WUXSDSXVOMZXLV-UHFFFAOYSA-N 1 1 264.781 3.669 40 0 CHABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(OC(C)C)nc1 ZINC000072211902 567917808 /nfs/dbraw/zinc/91/78/08/567917808.db2.gz POQNGYIIPFTQAI-OAHLLOKOSA-N 1 1 262.397 3.662 40 0 CHABMO CCC[N@H+]1CCC[C@H]1c1cccnc1NCC(C)C ZINC000072213256 567918105 /nfs/dbraw/zinc/91/81/05/567918105.db2.gz RQCYYUSWBMBGSB-HNNXBMFYSA-N 1 1 261.413 3.696 40 0 CHABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1N(CC)CC ZINC000072212914 567918111 /nfs/dbraw/zinc/91/81/11/567918111.db2.gz SXSUIIVLJSQHCG-MRXNPFEDSA-N 1 1 275.440 3.865 40 0 CHABMO CC(C)[N@H+]1CCC[C@@H]1c1cccnc1NC1CCC1 ZINC000072213897 567918886 /nfs/dbraw/zinc/91/88/86/567918886.db2.gz OVOWSUNNUJYNQK-OAHLLOKOSA-N 1 1 259.397 3.591 40 0 CHABMO CCCCNc1ccc([C@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072213658 567919007 /nfs/dbraw/zinc/91/90/07/567919007.db2.gz VWWTUUMLHAYQKR-OAHLLOKOSA-N 1 1 261.413 3.839 40 0 CHABMO COc1ncc([C@H]2CCCC[N@H+]2CC(C)C)cc1C ZINC000072217744 567920469 /nfs/dbraw/zinc/92/04/69/567920469.db2.gz RJJOSEROBQVSAB-OAHLLOKOSA-N 1 1 262.397 3.582 40 0 CHABMO Cc1cc(=S)[nH]cc1[C@H]1CCCC[N@@H+]1CC(C)C ZINC000072218343 567920952 /nfs/dbraw/zinc/92/09/52/567920952.db2.gz QOXLYJZNVFTJGE-CQSZACIVSA-N 1 1 264.438 3.862 40 0 CHABMO CNc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)c(C)n1 ZINC000072219090 567921486 /nfs/dbraw/zinc/92/14/86/567921486.db2.gz BFVRLGVVVMKXLJ-QGZVFWFLSA-N 1 1 281.403 3.769 40 0 CHABMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccccc2)ccn1 ZINC000072219448 567921514 /nfs/dbraw/zinc/92/15/14/567921514.db2.gz XLRWYEXAQQCLGG-QGZVFWFLSA-N 1 1 252.361 3.727 40 0 CHABMO CNc1ncc([C@@H]2CCC[N@H+]2Cc2ccccc2)cc1C ZINC000072218969 567921539 /nfs/dbraw/zinc/92/15/39/567921539.db2.gz WDQOWOMHHOMROT-KRWDZBQOSA-N 1 1 281.403 3.769 40 0 CHABMO CCC[N@H+]1CCC[C@@H]1c1cnc(N2CCCC2)c(C)c1 ZINC000072218801 567921598 /nfs/dbraw/zinc/92/15/98/567921598.db2.gz MZCXUCMLZYRULS-MRXNPFEDSA-N 1 1 273.424 3.537 40 0 CHABMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccccc2)cnc1N(C)C ZINC000072218609 567921734 /nfs/dbraw/zinc/92/17/34/567921734.db2.gz PNMZGNULPKHLST-SFHVURJKSA-N 1 1 295.430 3.793 40 0 CHABMO CC[N@H+]1CCCC[C@@H]1c1cnc(N2CCCCC2)cc1C ZINC000072219236 567921809 /nfs/dbraw/zinc/92/18/09/567921809.db2.gz PVIZCTHGELKOQT-QGZVFWFLSA-N 1 1 287.451 3.927 40 0 CHABMO Cc1cc([C@H]2CCC[N@@H+]2C(C)C)cnc1N1CCCC1 ZINC000072218800 567921886 /nfs/dbraw/zinc/92/18/86/567921886.db2.gz ZXJPFXXINSJVBZ-MRXNPFEDSA-N 1 1 273.424 3.536 40 0 CHABMO Cc1cc(N(C)C)ncc1[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000072218702 567921930 /nfs/dbraw/zinc/92/19/30/567921930.db2.gz DUNXLKNOYOBJTA-INIZCTEOSA-N 1 1 275.440 3.639 40 0 CHABMO Cc1nc([C@@]2(C)CCC[N@H+](CC(C)C)C2)c2sccn12 ZINC000257301431 190030426 /nfs/dbraw/zinc/03/04/26/190030426.db2.gz RYKNEYGQKJDPMA-INIZCTEOSA-N 1 1 291.464 3.714 40 0 CHABMO C[C@@H]1CC(c2ccccc2)(c2ccccc2)C[N@H+]1C ZINC000002043893 169771648 /nfs/dbraw/zinc/77/16/48/169771648.db2.gz VWXFASZGGRDJAU-OAHLLOKOSA-N 1 1 251.373 3.697 40 0 CHABMO CCCC(CCC)[N@@H+](CC)CCOC(=O)N(CC)CC ZINC000004743516 170009732 /nfs/dbraw/zinc/00/97/32/170009732.db2.gz ZHVMVBZJHFHZJG-UHFFFAOYSA-N 1 1 286.460 3.756 40 0 CHABMO CC(C)=CC[N@H+]1CC[C@]2(C)c3cc(O)ccc3CC[C@@H]2C1 ZINC000005158796 170072154 /nfs/dbraw/zinc/07/21/54/170072154.db2.gz UBKGPRKTCCVVBP-APWZRJJASA-N 1 1 285.431 3.884 40 0 CHABMO c1[nH]c2ccccc2c1CCNc1[nH]c2ccccc2[nH+]1 ZINC000022126816 171354674 /nfs/dbraw/zinc/35/46/74/171354674.db2.gz UOMGFKZTWBUWJF-UHFFFAOYSA-N 1 1 276.343 3.699 40 0 CHABMO Cc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccccc4)C3)nc2c1 ZINC000035446543 172202359 /nfs/dbraw/zinc/20/23/59/172202359.db2.gz JZROFTRSWFZTLB-INIZCTEOSA-N 1 1 291.398 3.861 40 0 biogenic,in-vitro CHABMO Cc1ccc2nc([C@H]3CC[N@H+](Cc4ccccc4)C3)[nH]c2c1 ZINC000035446543 172202361 /nfs/dbraw/zinc/20/23/61/172202361.db2.gz JZROFTRSWFZTLB-INIZCTEOSA-N 1 1 291.398 3.861 40 0 biogenic,in-vitro CHABMO Cc1ccc2nc([C@H]3CC[N@@H+](Cc4ccccc4)C3)[nH]c2c1 ZINC000035446543 172202363 /nfs/dbraw/zinc/20/23/63/172202363.db2.gz JZROFTRSWFZTLB-INIZCTEOSA-N 1 1 291.398 3.861 40 0 biogenic,in-vitro CHABMO Cc1ccc2oc([C@H]3CC[N@@H+](Cc4ccccn4)C3)nc2c1 ZINC000035446506 172202922 /nfs/dbraw/zinc/20/29/22/172202922.db2.gz BGFBBIFLCWTHAB-AWEZNQCLSA-N 1 1 293.370 3.521 40 0 biogenic,in-vitro CHABMO COc1ccc([C@H]2CCCC[N@H+]2CC(C)C)c(C)n1 ZINC000072218099 567919474 /nfs/dbraw/zinc/91/94/74/567919474.db2.gz KNAMMSCLYHKFRE-OAHLLOKOSA-N 1 1 262.397 3.582 40 0 CHABMO Cc1cc[nH+]c(NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000199720116 567048984 /nfs/dbraw/zinc/04/89/84/567048984.db2.gz DXQXZIXSFRLADJ-UHFFFAOYSA-N 1 1 282.265 3.901 40 0 CHABMO COc1ccc2[nH+]ccc(Nc3cccc(N)c3)c2c1 ZINC000064875369 567111106 /nfs/dbraw/zinc/11/11/06/567111106.db2.gz XZRSNIXCXNHUSN-UHFFFAOYSA-N 1 1 265.316 3.569 40 0 CHABMO Clc1cccc(C[NH2+]Cc2csc(C3CC3)n2)c1 ZINC000069877377 567116935 /nfs/dbraw/zinc/11/69/35/567116935.db2.gz QOHUPJKUMLTSKY-UHFFFAOYSA-N 1 1 278.808 3.964 40 0 CHABMO C[N@H+]1CC[C@H](C[C@@](O)(c2ccccc2)C2CCCCC2)C1 ZINC000004537366 567858193 /nfs/dbraw/zinc/85/81/93/567858193.db2.gz NZBBMMXOZYOFPC-VQIMIIECSA-N 1 1 287.447 3.796 40 0 CHABMO CSC(=[NH2+])c1cccc(OCc2ccccc2)c1 ZINC000017039894 567874666 /nfs/dbraw/zinc/87/46/66/567874666.db2.gz QUQVZMGSZIPBRH-UHFFFAOYSA-N 1 1 257.358 3.954 40 0 CHABMO Cn1cc([C@H]2CCCCC[N@H+]2Cc2ccc(F)cc2)cn1 ZINC000019290611 567877458 /nfs/dbraw/zinc/87/74/58/567877458.db2.gz BGTJHTQBINLWMA-QGZVFWFLSA-N 1 1 287.382 3.677 40 0 CHABMO C[C@H]1CCC[N@@H+](Cc2ccccc2Br)C1 ZINC000042205914 567891299 /nfs/dbraw/zinc/89/12/99/567891299.db2.gz WPQXIRYYMZJHNN-NSHDSACASA-N 1 1 268.198 3.681 40 0 CHABMO CC[N@@H+]1CC=C(c2nc3cc(Cl)ccc3o2)CC1 ZINC000073636021 567893203 /nfs/dbraw/zinc/89/32/03/567893203.db2.gz KCBWEDSXKIJTRA-UHFFFAOYSA-N 1 1 262.740 3.590 40 0 CHABMO CC[N@@H+]1CC=C(c2nc3c(cccc3C)s2)CC1 ZINC000073638863 567893469 /nfs/dbraw/zinc/89/34/69/567893469.db2.gz VCHPLODSWPPVRY-UHFFFAOYSA-N 1 1 258.390 3.714 40 0 CHABMO OCC[N@@H+](Cc1cccs1)Cc1cccc2ccccc21 ZINC000013997427 567912561 /nfs/dbraw/zinc/91/25/61/567912561.db2.gz DVASXNQUZFXSIJ-UHFFFAOYSA-N 1 1 297.423 3.896 40 0 CHABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1OC(C)C ZINC000072211963 567918083 /nfs/dbraw/zinc/91/80/83/567918083.db2.gz FRCYRFSDMRZTJJ-HNNXBMFYSA-N 1 1 262.397 3.662 40 0 CHABMO CCN(CC)c1ccc([C@@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072212839 567918297 /nfs/dbraw/zinc/91/82/97/567918297.db2.gz LEULWFVPQUYQBN-INIZCTEOSA-N 1 1 275.440 3.721 40 0 CHABMO CCN(CC)c1ncccc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072212900 567918429 /nfs/dbraw/zinc/91/84/29/567918429.db2.gz OEWXVBAERRMTRZ-MRXNPFEDSA-N 1 1 275.440 3.721 40 0 CHABMO CN(C)c1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072212682 567918606 /nfs/dbraw/zinc/91/86/06/567918606.db2.gz DCUQEPYYYKKNMG-SFHVURJKSA-N 1 1 295.430 3.875 40 0 CHABMO CC[N@H+]1CCCC[C@@H]1c1cccnc1NCC(C)C ZINC000072213270 567918841 /nfs/dbraw/zinc/91/88/41/567918841.db2.gz BVJKSJNEVTYBPE-OAHLLOKOSA-N 1 1 261.413 3.696 40 0 CHABMO CC(C)[N@H+]1CCC[C@H]1c1cccnc1NC1CCC1 ZINC000072213898 567919064 /nfs/dbraw/zinc/91/90/64/567919064.db2.gz OVOWSUNNUJYNQK-HNNXBMFYSA-N 1 1 259.397 3.591 40 0 CHABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(NC2CCC2)nc1 ZINC000072213841 567919161 /nfs/dbraw/zinc/91/91/61/567919161.db2.gz LZIXCZIKSQVMAM-MRXNPFEDSA-N 1 1 273.424 3.839 40 0 CHABMO CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1NC1CC1 ZINC000072213741 567919289 /nfs/dbraw/zinc/91/92/89/567919289.db2.gz GXWHTQNJNZIEAW-INIZCTEOSA-N 1 1 273.424 3.839 40 0 CHABMO Cc1cc([C@H]2CCC[N@@H+]2CC(C)C)cnc1Cl ZINC000072217784 567920504 /nfs/dbraw/zinc/92/05/04/567920504.db2.gz MFIYDXZLLXPSHG-CYBMUJFWSA-N 1 1 252.789 3.836 40 0 CHABMO CCCC[N@H+]1CCC[C@@H]1c1cnc(Cl)c(C)c1 ZINC000072217785 567920804 /nfs/dbraw/zinc/92/08/04/567920804.db2.gz VPFQJANWZRRKAB-CYBMUJFWSA-N 1 1 252.789 3.980 40 0 CHABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(SC)nc1 ZINC000072216886 567921405 /nfs/dbraw/zinc/92/14/05/567921405.db2.gz OHYXVVNRQYZVNA-CYBMUJFWSA-N 1 1 250.411 3.741 40 0 CHABMO CNc1cc(C)c([C@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072219063 567921536 /nfs/dbraw/zinc/92/15/36/567921536.db2.gz CIQFVEIMCYQJQD-OAHLLOKOSA-N 1 1 261.413 3.615 40 0 CHABMO Cc1cc([C@@H]2CCC[N@@H+]2C(C)C)cnc1N1CCCCC1 ZINC000072219159 567921633 /nfs/dbraw/zinc/92/16/33/567921633.db2.gz CATOTQZNNYHYRF-KRWDZBQOSA-N 1 1 287.451 3.926 40 0 CHABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(N2CCCC2)nc1C ZINC000072218925 567921658 /nfs/dbraw/zinc/92/16/58/567921658.db2.gz YDVNFHVQAPIRFL-QGZVFWFLSA-N 1 1 287.451 3.927 40 0 CHABMO CCC[N@H+]1CCC[C@@H]1c1cnc(N2CCCC2)cc1C ZINC000072218861 567921665 /nfs/dbraw/zinc/92/16/65/567921665.db2.gz ZPQXPZZXYQWKDM-MRXNPFEDSA-N 1 1 273.424 3.537 40 0 CHABMO Cc1cnccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072219503 567921821 /nfs/dbraw/zinc/92/18/21/567921821.db2.gz VKZHVDUEJBFGRM-KRWDZBQOSA-N 1 1 252.361 3.727 40 0 CHABMO Cc1cc([C@@H]2CCCC[N@@H+]2C)cnc1N1CCCCC1 ZINC000072219174 567921927 /nfs/dbraw/zinc/92/19/27/567921927.db2.gz NCUPKNJPVVDCFO-INIZCTEOSA-N 1 1 273.424 3.537 40 0 CHABMO Cc1nc(N2CCCC2)ccc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072218923 567921976 /nfs/dbraw/zinc/92/19/76/567921976.db2.gz VPIRXTBPXRRIAY-KRWDZBQOSA-N 1 1 287.451 3.783 40 0 CHABMO CC(C)CC[N@H+]1C[C@@H](C)[C@@](O)(c2ccccc2)C[C@@H]1C ZINC000003901496 567945790 /nfs/dbraw/zinc/94/57/90/567945790.db2.gz NRNKPUIJZXENIG-SOLBZPMBSA-N 1 1 275.436 3.651 40 0 CHABMO C[C@@H]1CCCC[N@H+]1CCCCOc1ccc(C=O)cc1 ZINC000206991457 567946527 /nfs/dbraw/zinc/94/65/27/567946527.db2.gz CPBFCBUKTPVXSC-OAHLLOKOSA-N 1 1 275.392 3.533 40 0 CHABMO CC[C@H](C)Nc1nc(N2CCc3ccccc3[C@H]2C)cc[nH+]1 ZINC000328969075 136377204 /nfs/dbraw/zinc/37/72/04/136377204.db2.gz DCNSYIQKYSBIEW-UONOGXRCSA-N 1 1 296.418 3.811 40 0 CHABMO CC[C@H](C)Nc1nc(N2Cc3ccccc3C[C@@H]2C)cc[nH+]1 ZINC000328964609 136377266 /nfs/dbraw/zinc/37/72/66/136377266.db2.gz BXDADZBKBBEKEK-KBPBESRZSA-N 1 1 296.418 3.638 40 0 CHABMO CCOc1ccccc1C[N@@H+]1CCCC[C@@H]1c1ccncn1 ZINC000257228699 190016467 /nfs/dbraw/zinc/01/64/67/190016467.db2.gz FUWWBZMDVOTHKM-QGZVFWFLSA-N 1 1 297.402 3.603 40 0 CHABMO CCOc1ccccc1C[N@H+]1CCCC[C@@H]1c1ccncn1 ZINC000257228699 190016468 /nfs/dbraw/zinc/01/64/68/190016468.db2.gz FUWWBZMDVOTHKM-QGZVFWFLSA-N 1 1 297.402 3.603 40 0 CHABMO CC[C@@H]1CCCC[N@H+]1CCCOc1ccccc1C=O ZINC000008731535 170351218 /nfs/dbraw/zinc/35/12/18/170351218.db2.gz CUDYOZDLNBETNG-MRXNPFEDSA-N 1 1 275.392 3.533 40 0 CHABMO Fc1ccccc1C[N@H+]1CC[C@H](c2nc3ccccc3o2)C1 ZINC000035446531 172202624 /nfs/dbraw/zinc/20/26/24/172202624.db2.gz YAHYYWBITCKKAW-AWEZNQCLSA-N 1 1 296.345 3.956 40 0 biogenic,in-vitro CHABMO c1ccc(C[N@H+]2CCCC[C@@H]2c2ccncc2)cc1 ZINC000072211049 176342676 /nfs/dbraw/zinc/34/26/76/176342676.db2.gz XAEJVXZQIVOGMD-QGZVFWFLSA-N 1 1 252.361 3.809 40 0 CHABMO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1ccncc1 ZINC000072350997 176373831 /nfs/dbraw/zinc/37/38/31/176373831.db2.gz UYATWASYAAIBPJ-AWEZNQCLSA-N 1 1 258.390 3.653 40 0 CHABMO C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1 ZINC000072357513 176375933 /nfs/dbraw/zinc/37/59/33/176375933.db2.gz YTACZXAEFUUTDZ-QGZVFWFLSA-N 1 1 270.351 3.578 40 0 CHABMO C[N@H+]1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072358369 176376424 /nfs/dbraw/zinc/37/64/24/176376424.db2.gz WUGBIZSYOULTQC-CYBMUJFWSA-N 1 1 287.794 3.606 40 0 CHABMO Cc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](C)C2)c1C ZINC000072365358 176380458 /nfs/dbraw/zinc/38/04/58/176380458.db2.gz HQGXDNFKGUCECR-OAHLLOKOSA-N 1 1 281.403 3.570 40 0 CHABMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCCOc1ccccc1C=O ZINC000217796195 533827363 /nfs/dbraw/zinc/82/73/63/533827363.db2.gz YUHRPNBHESYHBU-IYBDPMFKSA-N 1 1 289.419 3.921 40 0 CHABMO CCC[N@H+]1CCCC[C@H]1c1ccc(SC)nc1 ZINC000072216900 567920880 /nfs/dbraw/zinc/92/08/80/567920880.db2.gz FARFSKADGKVFGN-ZDUSSCGKSA-N 1 1 250.411 3.741 40 0 CHABMO Cc1[nH]c(=S)ccc1[C@H]1CCCC[N@@H+]1C(C)C ZINC000072218401 567921054 /nfs/dbraw/zinc/92/10/54/567921054.db2.gz IVKXZLREVGYWDR-CYBMUJFWSA-N 1 1 250.411 3.614 40 0 CHABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1OC(C)C ZINC000072211977 567918086 /nfs/dbraw/zinc/91/80/86/567918086.db2.gz XBPAHAWJYVGVIN-OAHLLOKOSA-N 1 1 262.397 3.806 40 0 CHABMO c1ccc([C@H]2C[N@H+](C[C@H]3CCOC3)CC23CCCC3)cc1 ZINC000019370000 567082039 /nfs/dbraw/zinc/08/20/39/567082039.db2.gz UDZOJCHIZIODME-SJLPKXTDSA-N 1 1 285.431 3.683 40 0 CHABMO Clc1ccc(C[NH2+]Cc2csc(C3CC3)n2)cc1 ZINC000069876349 567115390 /nfs/dbraw/zinc/11/53/90/567115390.db2.gz IYKPGLZWOMLWOC-UHFFFAOYSA-N 1 1 278.808 3.964 40 0 CHABMO O=C1CCC[C@H]1[C@H]1CCCCC[N@H+]1Cc1ccccc1 ZINC000217464640 567170064 /nfs/dbraw/zinc/17/00/64/567170064.db2.gz OMWBVERYXPTJQI-DLBZAZTESA-N 1 1 271.404 3.800 40 0 CHABMO O=C(C[NH+]1CCCCCC1)c1ccc(Br)cc1 ZINC000034981358 567835135 /nfs/dbraw/zinc/83/51/35/567835135.db2.gz PGPVFHQZIDSFKX-UHFFFAOYSA-N 1 1 296.208 3.508 40 0 CHABMO Cc1cc([C@@H]2CCCCC[N@H+]2Cc2cccc(C)n2)on1 ZINC000019236252 567877400 /nfs/dbraw/zinc/87/74/00/567877400.db2.gz VVLSVDXCHOUFTC-INIZCTEOSA-N 1 1 285.391 3.804 40 0 CHABMO CC(C)(O)[C@]1(C)c2ccccc2CC[N@@H+]1Cc1ccccc1 ZINC000019848037 567879103 /nfs/dbraw/zinc/87/91/03/567879103.db2.gz UOGRJJMJWDCFCP-FQEVSTJZSA-N 1 1 295.426 3.731 40 0 CHABMO Cc1ccc(C2=C3C(=[NH+]CC(C)C)NC=N[C@@H]3SC2)cc1 ZINC000057369759 567894867 /nfs/dbraw/zinc/89/48/67/567894867.db2.gz UYLWGJKSAUBLDY-NVXWUHKLSA-N 1 1 299.443 3.711 40 0 CHABMO C[C@@H]1CCC[C@H](C)N1CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000114718899 567910261 /nfs/dbraw/zinc/91/02/61/567910261.db2.gz RVIVTMWGPRUAIG-GEEKYZPCSA-N 1 1 252.446 3.512 40 0 CHABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(Br)nc1 ZINC000072211558 567917762 /nfs/dbraw/zinc/91/77/62/567917762.db2.gz RORVVFQIAPPTPP-GFCCVEGCSA-N 1 1 283.213 3.781 40 0 CHABMO CC(C)CNc1ncccc1[C@H]1CCC[N@H+]1C(C)C ZINC000072213254 567918097 /nfs/dbraw/zinc/91/80/97/567918097.db2.gz UAWUNIWKMNGZSC-OAHLLOKOSA-N 1 1 261.413 3.695 40 0 CHABMO C[N@H+]1CCCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212034 567918336 /nfs/dbraw/zinc/91/83/36/567918336.db2.gz VHHASBILFTZSES-KRWDZBQOSA-N 1 1 282.387 3.817 40 0 CHABMO CC(C)N(c1ncccc1[C@H]1CCCC[N@H+]1C)C(C)C ZINC000072213031 567918345 /nfs/dbraw/zinc/91/83/45/567918345.db2.gz YMWDGNHZDNMBEL-MRXNPFEDSA-N 1 1 275.440 3.862 40 0 CHABMO CCCNc1ccc([C@H]2CCCC[N@H+]2CCC)cn1 ZINC000072213213 567918467 /nfs/dbraw/zinc/91/84/67/567918467.db2.gz QJWLBMOLIOFMST-OAHLLOKOSA-N 1 1 261.413 3.841 40 0 CHABMO CNc1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072212562 567918649 /nfs/dbraw/zinc/91/86/49/567918649.db2.gz GQXHOCPFAXPEFT-KRWDZBQOSA-N 1 1 281.403 3.851 40 0 CHABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(NC2CC2)nc1 ZINC000072213796 567918777 /nfs/dbraw/zinc/91/87/77/567918777.db2.gz IIJCTIFSMHHDPY-OAHLLOKOSA-N 1 1 259.397 3.593 40 0 CHABMO CC(C)[N@H+]1CCCC[C@H]1c1cccnc1NC1CC1 ZINC000072213739 567918900 /nfs/dbraw/zinc/91/89/00/567918900.db2.gz AZXVVTDPPRIPGL-HNNXBMFYSA-N 1 1 259.397 3.591 40 0 CHABMO CC(C)CNc1ccc([C@@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072213313 567919282 /nfs/dbraw/zinc/91/92/82/567919282.db2.gz DWVMLWIUNZSFFZ-HNNXBMFYSA-N 1 1 261.413 3.695 40 0 CHABMO CCC[N@H+]1CCCC[C@H]1c1cnc(Cl)cc1C ZINC000072217859 567920396 /nfs/dbraw/zinc/92/03/96/567920396.db2.gz LKYVPOPVNWGHPE-ZDUSSCGKSA-N 1 1 252.789 3.980 40 0 CHABMO Cc1nc(Cl)ccc1[C@H]1CCCC[N@@H+]1C(C)C ZINC000072217921 567920590 /nfs/dbraw/zinc/92/05/90/567920590.db2.gz BNUMWGABLJBQDM-CYBMUJFWSA-N 1 1 252.789 3.979 40 0 CHABMO CCCC[N@H+]1CCC[C@H]1c1cnc(Cl)c(C)c1 ZINC000072217786 567920756 /nfs/dbraw/zinc/92/07/56/567920756.db2.gz VPFQJANWZRRKAB-ZDUSSCGKSA-N 1 1 252.789 3.980 40 0 CHABMO Cc1cc(Cl)ncc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072217860 567920817 /nfs/dbraw/zinc/92/08/17/567920817.db2.gz UXNLOLANLPYEGF-ZDUSSCGKSA-N 1 1 252.789 3.979 40 0 CHABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1N1CCCCC1 ZINC000072216105 567920824 /nfs/dbraw/zinc/92/08/24/567920824.db2.gz ZUVOQWPMFPTQOJ-QGZVFWFLSA-N 1 1 287.451 3.865 40 0 CHABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(=S)[nH]c1 ZINC000072217026 567921015 /nfs/dbraw/zinc/92/10/15/567921015.db2.gz QRHUSMKDWZNPFM-ZDUSSCGKSA-N 1 1 250.411 3.697 40 0 CHABMO Cc1cc(N2CCCCC2)ncc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072219220 567921619 /nfs/dbraw/zinc/92/16/19/567921619.db2.gz HIDUAEMOURONMU-QGZVFWFLSA-N 1 1 287.451 3.926 40 0 CHABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(NC)nc1C ZINC000072219124 567921765 /nfs/dbraw/zinc/92/17/65/567921765.db2.gz YMKFQLWRSKTWRP-OAHLLOKOSA-N 1 1 261.413 3.759 40 0 CHABMO Cc1cc([C@H]2CCC[N@@H+]2C(C)C)cnc1N1CCCCC1 ZINC000072219160 567921856 /nfs/dbraw/zinc/92/18/56/567921856.db2.gz CATOTQZNNYHYRF-QGZVFWFLSA-N 1 1 287.451 3.926 40 0 CHABMO CC[N@H+]1CCCC[C@@H]1c1cnc(N2CCCC2)cc1C ZINC000072218876 567921909 /nfs/dbraw/zinc/92/19/09/567921909.db2.gz YZSNRHOBRDSALU-MRXNPFEDSA-N 1 1 273.424 3.537 40 0 CHABMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCCCC2)nc1C ZINC000072219297 567921954 /nfs/dbraw/zinc/92/19/54/567921954.db2.gz XSABRXPCJBXZLH-KRWDZBQOSA-N 1 1 287.451 3.927 40 0 CHABMO COc1cccc(OC)c1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072221439 567922255 /nfs/dbraw/zinc/92/22/55/567922255.db2.gz ONHLCMCKRGYGHY-ZDUSSCGKSA-N 1 1 263.381 3.639 40 0 CHABMO Cc1cc(NC(C)(C)C)[nH+]cc1[C@H](O)c1ccccc1 ZINC000072223974 567922651 /nfs/dbraw/zinc/92/26/51/567922651.db2.gz DHILGEVGYFVLSZ-MRXNPFEDSA-N 1 1 270.376 3.682 40 0 CHABMO CC[C@H](C)Oc1c(C)cc(-c2noc([C@H](C)[NH3+])n2)cc1C ZINC000095095355 567940765 /nfs/dbraw/zinc/94/07/65/567940765.db2.gz HIWLJFGIBQNAPU-RYUDHWBXSA-N 1 1 289.379 3.550 40 0 CHABMO