smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccc(OC)cc21 ZINC000082509418 178075914 /nfs/dbraw/zinc/07/59/14/178075914.db2.gz BYDJLRRDUCFBIS-CQSZACIVSA-N 1 3 276.380 2.203 10 0 CEAEHO CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037042504 361891207 /nfs/dbraw/zinc/89/12/07/361891207.db2.gz PEYWGOMEIDOGFQ-SMDDNHRTSA-N 1 3 263.385 2.060 10 0 CEAEHO CCN(CC)[C@@H](CNC1CC[NH2+]CC1)c1ccccc1 ZINC000038040513 361984773 /nfs/dbraw/zinc/98/47/73/361984773.db2.gz QDYWHFMGXPJCDZ-KRWDZBQOSA-N 1 3 275.440 2.411 10 0 CEAEHO CC[C@]1(C)C[N@H+](CCn2ccnc2C)C(C)(C)CN1 ZINC000085496402 179082830 /nfs/dbraw/zinc/08/28/30/179082830.db2.gz NNFABEHAWBLIGG-OAHLLOKOSA-N 1 3 264.417 2.044 10 0 CEAEHO CC[C@]1(C)C[N@@H+](CCn2ccnc2C)C(C)(C)CN1 ZINC000085496402 179082831 /nfs/dbraw/zinc/08/28/31/179082831.db2.gz NNFABEHAWBLIGG-OAHLLOKOSA-N 1 3 264.417 2.044 10 0 CEAEHO CN(C)C[C@@H]1CC[N@H+](CCC(=O)OCc2ccccc2)C1 ZINC000128496932 187374651 /nfs/dbraw/zinc/37/46/51/187374651.db2.gz PZRIMJMREYLXJR-INIZCTEOSA-N 1 3 290.407 2.003 10 0 CEAEHO CN(C)C[C@@H]1CC[N@@H+](CCC(=O)OCc2ccccc2)C1 ZINC000128496932 187374652 /nfs/dbraw/zinc/37/46/52/187374652.db2.gz PZRIMJMREYLXJR-INIZCTEOSA-N 1 3 290.407 2.003 10 0 CEAEHO CC[C@@H](C)[C@@H]1C[N@H+](C[C@@H]2CCN(C)C2)[C@H](C(C)C)CN1 ZINC000086171851 179243849 /nfs/dbraw/zinc/24/38/49/179243849.db2.gz JQFLXVCVTCLRTR-NCOADZHNSA-N 1 3 281.488 2.283 10 0 CEAEHO CC[C@@H](C)[C@@H]1C[N@@H+](C[C@@H]2CCN(C)C2)[C@H](C(C)C)CN1 ZINC000086171851 179243851 /nfs/dbraw/zinc/24/38/51/179243851.db2.gz JQFLXVCVTCLRTR-NCOADZHNSA-N 1 3 281.488 2.283 10 0 CEAEHO CC(C)[C@@H]1C[N@H+]([C@@H](C)CCN(C)C)[C@H](C(C)C)CN1 ZINC000086173279 179244865 /nfs/dbraw/zinc/24/48/65/179244865.db2.gz DRXWRKFYOQSAFA-JYJNAYRXSA-N 1 3 269.477 2.281 10 0 CEAEHO CC(C)[C@@H]1C[N@@H+]([C@@H](C)CCN(C)C)[C@H](C(C)C)CN1 ZINC000086173279 179244867 /nfs/dbraw/zinc/24/48/67/179244867.db2.gz DRXWRKFYOQSAFA-JYJNAYRXSA-N 1 3 269.477 2.281 10 0 CEAEHO C1CC1N1CC[C@@H](N2CC[NH2+][C@@H](C3CCCCC3)C2)C1 ZINC000086145991 179239134 /nfs/dbraw/zinc/23/91/34/179239134.db2.gz GFYDQGPBTCNKRR-IAGOWNOFSA-N 1 3 277.456 2.077 10 0 CEAEHO CC[C@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182552 179248062 /nfs/dbraw/zinc/24/80/62/179248062.db2.gz DHIDTUDNBXPRNN-ARFHVFGLSA-N 1 3 279.472 2.179 10 0 CEAEHO CC[C@H]1CN[C@@H](C(C)(C)C)C[N@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182552 179248064 /nfs/dbraw/zinc/24/80/64/179248064.db2.gz DHIDTUDNBXPRNN-ARFHVFGLSA-N 1 3 279.472 2.179 10 0 CEAEHO C[C@@H](CC[NH+](C)C)N1C[C@H](c2ccccc2)NC[C@@H]1C ZINC000086227525 179254370 /nfs/dbraw/zinc/25/43/70/179254370.db2.gz GYVDGJGFQGKDJA-YQQAZPJKSA-N 1 3 275.440 2.362 10 0 CEAEHO C[C@H]([C@H]1CCCO1)[N@@H+]1CCCN[C@H](C(C)(C)C)C1 ZINC000086287105 179264935 /nfs/dbraw/zinc/26/49/35/179264935.db2.gz ZJVFJQJVDIADGF-MCIONIFRSA-N 1 3 254.418 2.264 10 0 CEAEHO C[C@H]([C@H]1CCCO1)[N@H+]1CCCN[C@H](C(C)(C)C)C1 ZINC000086287105 179264938 /nfs/dbraw/zinc/26/49/38/179264938.db2.gz ZJVFJQJVDIADGF-MCIONIFRSA-N 1 3 254.418 2.264 10 0 CEAEHO C[C@H]([C@H]1CCCO1)N1CCC[NH2+][C@H](C(C)(C)C)C1 ZINC000086287105 179264941 /nfs/dbraw/zinc/26/49/41/179264941.db2.gz ZJVFJQJVDIADGF-MCIONIFRSA-N 1 3 254.418 2.264 10 0 CEAEHO CCC1(CC)C[N@H+](C[C@@H]2CCCN(C)C2)[C@@H](C)CN1 ZINC000086259246 179257500 /nfs/dbraw/zinc/25/75/00/179257500.db2.gz LXLGKFONZYDIKD-LSDHHAIUSA-N 1 3 267.461 2.181 10 0 CEAEHO CCC1(CC)C[N@@H+](C[C@@H]2CCCN(C)C2)[C@@H](C)CN1 ZINC000086259246 179257501 /nfs/dbraw/zinc/25/75/01/179257501.db2.gz LXLGKFONZYDIKD-LSDHHAIUSA-N 1 3 267.461 2.181 10 0 CEAEHO CN1CCC[C@@H](C[N@@H+]2CCCN[C@H](C(C)(C)C)C2)C1 ZINC000086291609 179266866 /nfs/dbraw/zinc/26/68/66/179266866.db2.gz FGUJEBTYRXNOAC-CABCVRRESA-N 1 3 267.461 2.038 10 0 CEAEHO CN1CCC[C@@H](C[N@H+]2CCCN[C@H](C(C)(C)C)C2)C1 ZINC000086291609 179266869 /nfs/dbraw/zinc/26/68/69/179266869.db2.gz FGUJEBTYRXNOAC-CABCVRRESA-N 1 3 267.461 2.038 10 0 CEAEHO C[NH+](C)C[C@@H]1CCCN1c1nc2c(s1)CCC[C@@H]2N ZINC000086443981 179293540 /nfs/dbraw/zinc/29/35/40/179293540.db2.gz DIGZSRFXYXDEJH-QWRGUYRKSA-N 1 3 280.441 2.010 10 0 CEAEHO CCN[C@@H]1CCCc2sc(N3CC[C@H]([NH+](C)C)C3)nc21 ZINC000086444076 179293878 /nfs/dbraw/zinc/29/38/78/179293878.db2.gz YEGVHOSSEHQTKN-NWDGAFQWSA-N 1 3 294.468 2.270 10 0 CEAEHO C[C@H]1C[N@@H+](C2CCN(Cc3ccccc3)CC2)[C@@H](C)CN1 ZINC000086467135 179296800 /nfs/dbraw/zinc/29/68/00/179296800.db2.gz FASLWRLKEPSYQY-HOTGVXAUSA-N 1 3 287.451 2.333 10 0 CEAEHO C[C@H]1C[N@H+](C2CCN(Cc3ccccc3)CC2)[C@@H](C)CN1 ZINC000086467135 179296801 /nfs/dbraw/zinc/29/68/01/179296801.db2.gz FASLWRLKEPSYQY-HOTGVXAUSA-N 1 3 287.451 2.333 10 0 CEAEHO CC(C)C[NH+](CC(C)C)[C@]1(CN)CCCN(C)CC1 ZINC000086819344 179348073 /nfs/dbraw/zinc/34/80/73/179348073.db2.gz PMVJAMRQDSHAIE-MRXNPFEDSA-N 1 3 269.477 2.414 10 0 CEAEHO CN(C)C1(C[NH2+][C@H]2CCCN(C)CC2)CCCCC1 ZINC000086817203 179344624 /nfs/dbraw/zinc/34/46/24/179344624.db2.gz QKXMHQGMQZYDCW-HNNXBMFYSA-N 1 3 267.461 2.325 10 0 CEAEHO CC(C)N1CCC[C@@](CN)([N@@H+]2CCCC2(C)C)CC1 ZINC000086848642 179356804 /nfs/dbraw/zinc/35/68/04/179356804.db2.gz PCUROJWEBJUUQW-MRXNPFEDSA-N 1 3 267.461 2.453 10 0 CEAEHO CC(C)N1CCC[C@@](CN)([N@H+]2CCCC2(C)C)CC1 ZINC000086848642 179356806 /nfs/dbraw/zinc/35/68/06/179356806.db2.gz PCUROJWEBJUUQW-MRXNPFEDSA-N 1 3 267.461 2.453 10 0 CEAEHO CCN1CCC[C@@H]([NH2+]C2CCN(C(C)C)CC2)CC1 ZINC000086836806 179351062 /nfs/dbraw/zinc/35/10/62/179351062.db2.gz ZMTFEOQTFABIKN-OAHLLOKOSA-N 1 3 267.461 2.323 10 0 CEAEHO CCCN1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000086836992 179351866 /nfs/dbraw/zinc/35/18/66/179351866.db2.gz HTEVZLVYTRMVDI-KKUMJFAQSA-N 1 3 254.418 2.408 10 0 CEAEHO CCC[N@@H+]1CCC[C@H](N[C@@H](C)[C@@H]2CCCO2)CC1 ZINC000086836992 179351867 /nfs/dbraw/zinc/35/18/67/179351867.db2.gz HTEVZLVYTRMVDI-KKUMJFAQSA-N 1 3 254.418 2.408 10 0 CEAEHO CCC[N@H+]1CCC[C@H](N[C@@H](C)[C@@H]2CCCO2)CC1 ZINC000086836992 179351870 /nfs/dbraw/zinc/35/18/70/179351870.db2.gz HTEVZLVYTRMVDI-KKUMJFAQSA-N 1 3 254.418 2.408 10 0 CEAEHO CCN1CCC[C@H]([NH2+]CCCc2c[nH]nc2C)CC1 ZINC000086843819 179352931 /nfs/dbraw/zinc/35/29/31/179352931.db2.gz VECHIAPVTCUARQ-HNNXBMFYSA-N 1 3 264.417 2.115 10 0 CEAEHO CC(C)N1CCC[C@@H]([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000086842124 179353831 /nfs/dbraw/zinc/35/38/31/179353831.db2.gz FEIHAOBTFBMJCY-LSDHHAIUSA-N 1 3 254.418 2.266 10 0 CEAEHO CCN1CCC[C@](CN)([NH+]2CCCCCC2)CC1 ZINC000086846274 179354637 /nfs/dbraw/zinc/35/46/37/179354637.db2.gz MJSDICDNMCXQEN-HNNXBMFYSA-N 1 3 253.434 2.066 10 0 CEAEHO CCN1CCC[C@H]([NH2+]CC2(O)CCCCC2)CC1 ZINC000087018108 179380374 /nfs/dbraw/zinc/38/03/74/179380374.db2.gz PPWQCICHAGPNFX-AWEZNQCLSA-N 1 3 254.418 2.146 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000090566058 180005839 /nfs/dbraw/zinc/00/58/39/180005839.db2.gz WEQWSSBVHFYNRC-LXTVHRRPSA-N 1 3 254.418 2.264 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000090566058 180005842 /nfs/dbraw/zinc/00/58/42/180005842.db2.gz WEQWSSBVHFYNRC-LXTVHRRPSA-N 1 3 254.418 2.264 10 0 CEAEHO CC[NH2+]CC1CCN(C[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090893529 180055112 /nfs/dbraw/zinc/05/51/12/180055112.db2.gz AFUUHTJRMLKWSQ-INIZCTEOSA-N 1 3 292.398 2.451 10 0 CEAEHO Cc1ccc2c(c1)C[C@H](CNC[C@H]1CCC[N@@H+](C)C1)O2 ZINC000090897792 180057115 /nfs/dbraw/zinc/05/71/15/180057115.db2.gz JKFXVVHYAHRGNL-GDBMZVCRSA-N 1 3 274.408 2.230 10 0 CEAEHO Cc1ccc2c(c1)C[C@H](CNC[C@H]1CCC[N@H+](C)C1)O2 ZINC000090897792 180057117 /nfs/dbraw/zinc/05/71/17/180057117.db2.gz JKFXVVHYAHRGNL-GDBMZVCRSA-N 1 3 274.408 2.230 10 0 CEAEHO Cc1ccc2c(c1)C[C@@H](CNC[C@H]1CCC[N@@H+](C)C1)O2 ZINC000090897793 180057225 /nfs/dbraw/zinc/05/72/25/180057225.db2.gz JKFXVVHYAHRGNL-ZBFHGGJFSA-N 1 3 274.408 2.230 10 0 CEAEHO Cc1ccc2c(c1)C[C@@H](CNC[C@H]1CCC[N@H+](C)C1)O2 ZINC000090897793 180057228 /nfs/dbraw/zinc/05/72/28/180057228.db2.gz JKFXVVHYAHRGNL-ZBFHGGJFSA-N 1 3 274.408 2.230 10 0 CEAEHO CC1(NCc2csc(CC[NH3+])n2)CCCCC1 ZINC000090958431 180074774 /nfs/dbraw/zinc/07/47/74/180074774.db2.gz VULFHFUEJRTQNF-UHFFFAOYSA-N 1 3 253.415 2.457 10 0 CEAEHO c1[nH]c2ncccc2c1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000091017014 180086885 /nfs/dbraw/zinc/08/68/85/180086885.db2.gz FCHSKCOSKKLJKG-LBPRGKRZSA-N 1 3 270.380 2.137 10 0 CEAEHO c1[nH]c2ncccc2c1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000091017014 180086887 /nfs/dbraw/zinc/08/68/87/180086887.db2.gz FCHSKCOSKKLJKG-LBPRGKRZSA-N 1 3 270.380 2.137 10 0 CEAEHO c1[nH]c2ncccc2c1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000091017014 180086888 /nfs/dbraw/zinc/08/68/88/180086888.db2.gz FCHSKCOSKKLJKG-LBPRGKRZSA-N 1 3 270.380 2.137 10 0 CEAEHO [NH3+]CC[C@H]1CCCCN1Cc1c[nH]c2ncccc12 ZINC000091019708 180088296 /nfs/dbraw/zinc/08/82/96/180088296.db2.gz ZIKCNQZROGGSMR-CYBMUJFWSA-N 1 3 258.369 2.266 10 0 CEAEHO CN(CCc1ccccc1)CC[C@@H]1CSCC[NH2+]1 ZINC000091292362 180123741 /nfs/dbraw/zinc/12/37/41/180123741.db2.gz NDAKKAVIUWBLFW-OAHLLOKOSA-N 1 3 264.438 2.256 10 0 CEAEHO CCC[NH2+]CC[C@@](C)(O)[C@@H]1NCCc2ccccc21 ZINC000091467549 180164158 /nfs/dbraw/zinc/16/41/58/180164158.db2.gz FQWSWZDQIIBPKB-HZPDHXFCSA-N 1 3 262.397 2.014 10 0 CEAEHO CC(C)C[NH2+]CC[C@](C)(O)[C@@H]1NCCc2ccccc21 ZINC000091502886 180175296 /nfs/dbraw/zinc/17/52/96/180175296.db2.gz FRZQLRHBESJHID-SJORKVTESA-N 1 3 276.424 2.260 10 0 CEAEHO CC(C)C[NH2+]CC1(CN(C)CC2CC(O)C2)CCCC1 ZINC000091499232 180174195 /nfs/dbraw/zinc/17/41/95/180174195.db2.gz QWHHSMRASSPTSP-UHFFFAOYSA-N 1 3 282.472 2.495 10 0 CEAEHO CCc1ccc([C@H](CN)N2CCC[C@H]([NH+](C)C)C2)s1 ZINC000091395748 180146074 /nfs/dbraw/zinc/14/60/74/180146074.db2.gz WELKXJMOPYUNLS-JSGCOSHPSA-N 1 3 281.469 2.336 10 0 CEAEHO CC[NH2+][C@H](C)C(C)(C)CN1CCC[C@@H]1CCCO ZINC000091404606 180146871 /nfs/dbraw/zinc/14/68/71/180146871.db2.gz QHAMLCMGLLNKFM-ZIAGYGMSSA-N 1 3 256.434 2.248 10 0 CEAEHO CCN[C@H](C)C(C)(C)C[N@@H+]1CCC[C@@H]1CCCO ZINC000091404606 180146874 /nfs/dbraw/zinc/14/68/74/180146874.db2.gz QHAMLCMGLLNKFM-ZIAGYGMSSA-N 1 3 256.434 2.248 10 0 CEAEHO CCN[C@H](C)C(C)(C)C[N@H+]1CCC[C@@H]1CCCO ZINC000091404606 180146876 /nfs/dbraw/zinc/14/68/76/180146876.db2.gz QHAMLCMGLLNKFM-ZIAGYGMSSA-N 1 3 256.434 2.248 10 0 CEAEHO CCC[NH2+][C@@H](C)C(C)(C)CN1CCN(C(C)C)CC1 ZINC000091402941 180147298 /nfs/dbraw/zinc/14/72/98/180147298.db2.gz PTYATVZFWNQUPQ-HNNXBMFYSA-N 1 3 269.477 2.427 10 0 CEAEHO CCC[NH2+][C@H](C)C(C)(C)CN(C)[C@@H]1CCCN(C)C1 ZINC000091404611 180147612 /nfs/dbraw/zinc/14/76/12/180147612.db2.gz KRRZZQQVMCAAHJ-HUUCEWRRSA-N 1 3 269.477 2.427 10 0 CEAEHO CCN(CC)CC[C@@H]([NH3+])Cc1nn(C)c2ccccc12 ZINC000091715747 180232378 /nfs/dbraw/zinc/23/23/78/180232378.db2.gz LIMBDYYNSAQMOU-CYBMUJFWSA-N 1 3 274.412 2.175 10 0 CEAEHO CCn1nc(C)cc1C[C@@H](CC[NH+](CC)CC)NC ZINC000091716186 180232682 /nfs/dbraw/zinc/23/26/82/180232682.db2.gz FMMOWVJYPLLMHH-CQSZACIVSA-N 1 3 266.433 2.074 10 0 CEAEHO CCN(CC)CC[C@H](Cc1cc(C)nn1CC)[NH2+]C ZINC000091716186 180232683 /nfs/dbraw/zinc/23/26/83/180232683.db2.gz FMMOWVJYPLLMHH-CQSZACIVSA-N 1 3 266.433 2.074 10 0 CEAEHO CCN(C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)C1CCC([NH3+])CC1 ZINC000091850409 180271746 /nfs/dbraw/zinc/27/17/46/180271746.db2.gz GWMIKYRZHIGUKQ-GJROSEKXSA-N 1 3 295.471 2.366 10 0 CEAEHO CCC[NH2+]C1CCC(N(C)[C@H](C)C(=O)NCC(C)C)CC1 ZINC000091870204 180276964 /nfs/dbraw/zinc/27/69/64/180276964.db2.gz XRFZZUABRUMYIK-QQFBHYJXSA-N 1 3 297.487 2.390 10 0 CEAEHO CC[NH2+]C1CCC(N(C)[C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000091870446 180277493 /nfs/dbraw/zinc/27/74/93/180277493.db2.gz RMAUFOAYGAMGIZ-FHERZECASA-N 1 3 295.471 2.240 10 0 CEAEHO CCNCc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)o1 ZINC000092003529 180304682 /nfs/dbraw/zinc/30/46/82/180304682.db2.gz KRWWJEFCCNDPJW-CVEARBPZSA-N 1 3 291.439 2.366 10 0 CEAEHO CCNCc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)o1 ZINC000092003529 180304684 /nfs/dbraw/zinc/30/46/84/180304684.db2.gz KRWWJEFCCNDPJW-CVEARBPZSA-N 1 3 291.439 2.366 10 0 CEAEHO C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)N1C[C@H](C)[C@H](C)C1 ZINC000092082119 180319853 /nfs/dbraw/zinc/31/98/53/180319853.db2.gz MZKRDAUHQNFREG-XQQFMLRXSA-N 1 3 275.396 2.060 10 0 CEAEHO NC(=[NH2+])[C@H]1CCCN(C[C@@H]2Cc3ccccc3S2)C1 ZINC000092262360 180355168 /nfs/dbraw/zinc/35/51/68/180355168.db2.gz OVVJNPIELDDDAU-STQMWFEESA-N 1 3 275.421 2.351 10 0 CEAEHO CC[NH+](CC)C[C@H](C)NC[C@@H]1COc2ccccc21 ZINC000092300578 180358484 /nfs/dbraw/zinc/35/84/84/180358484.db2.gz LNMFXYCNZVTKFQ-UONOGXRCSA-N 1 3 262.397 2.483 10 0 CEAEHO CCN1CCC[C@@H]1CN(C)[C@@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000092623170 180416852 /nfs/dbraw/zinc/41/68/52/180416852.db2.gz IRORHINOTNDOJQ-IIAWOOMASA-N 1 3 279.428 2.392 10 0 CEAEHO CC[NH+](CC)CCOc1cc(CN)nc2ccccc21 ZINC000109590662 186264953 /nfs/dbraw/zinc/26/49/53/186264953.db2.gz IZZQHNURMOUSIP-UHFFFAOYSA-N 1 3 273.380 2.414 10 0 CEAEHO CCCc1nc(N2CC[C@@H]([NH+](CC)CC)C2)sc1CN ZINC000110275472 186289418 /nfs/dbraw/zinc/28/94/18/186289418.db2.gz FZCJSLNZSPJMSP-GFCCVEGCSA-N 1 3 296.484 2.475 10 0 CEAEHO CCCNCc1ccoc1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000110459641 186297105 /nfs/dbraw/zinc/29/71/05/186297105.db2.gz WDSLBUXCDOCOFM-CQSZACIVSA-N 1 3 279.428 2.163 10 0 CEAEHO CCCNCc1ccoc1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000110459641 186297107 /nfs/dbraw/zinc/29/71/07/186297107.db2.gz WDSLBUXCDOCOFM-CQSZACIVSA-N 1 3 279.428 2.163 10 0 CEAEHO CCOc1cc(CN2CCC([C@@H](C)[NH3+])CC2)ccc1O ZINC000110644498 186308808 /nfs/dbraw/zinc/30/88/08/186308808.db2.gz DYLWTSXPYOZVOD-GFCCVEGCSA-N 1 3 278.396 2.350 10 0 CEAEHO CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(F)c(C)c2)CCN1C ZINC000110710139 186315572 /nfs/dbraw/zinc/31/55/72/186315572.db2.gz OKSVPHYTXRWTFD-ZBFHGGJFSA-N 1 3 279.403 2.160 10 0 CEAEHO CC[C@@H]1CN(CC(CC)(CC)C[NH2+]C)CCN1C ZINC000110746648 186318451 /nfs/dbraw/zinc/31/84/51/186318451.db2.gz HGALBVYCSVUIHS-CQSZACIVSA-N 1 3 255.450 2.038 10 0 CEAEHO CCN1CCN(C[C@@H]2CCCCC[C@@H]2[NH2+]C)C[C@@H]1C ZINC000110745459 186319285 /nfs/dbraw/zinc/31/92/85/186319285.db2.gz DVYONGGJVFYURS-JYJNAYRXSA-N 1 3 267.461 2.181 10 0 CEAEHO CCC[NH2+]C[C@@H](C(C)C)N1CCN(C)C(C)(C)C1 ZINC000110755114 186321329 /nfs/dbraw/zinc/32/13/29/186321329.db2.gz GVVDLJRRMFVHLG-AWEZNQCLSA-N 1 3 255.450 2.037 10 0 CEAEHO CN(C)CCN(C)c1nc2c(s1)[C@@H]([NH3+])CC(C)(C)C2 ZINC000111151308 186360593 /nfs/dbraw/zinc/36/05/93/186360593.db2.gz MHSVHSNOMIYRJH-JTQLQIEISA-N 1 3 282.457 2.113 10 0 CEAEHO CN(C)CCN(C)[C@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000111132877 186355840 /nfs/dbraw/zinc/35/58/40/186355840.db2.gz SAWHVYBZIFLHAR-CYBMUJFWSA-N 1 3 289.345 2.199 10 0 CEAEHO C[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N(C)CCN(C)C ZINC000111130194 186356149 /nfs/dbraw/zinc/35/61/49/186356149.db2.gz ZFUBLZJLNGASBA-RISCZKNCSA-N 1 3 269.820 2.222 10 0 CEAEHO C[C@@H]1CC(C)(C)C[C@](CN)([N@H+](C)CCCN(C)C)C1 ZINC000111133342 186356431 /nfs/dbraw/zinc/35/64/31/186356431.db2.gz UBPXFSCPQRKCMU-GDBMZVCRSA-N 1 3 269.477 2.414 10 0 CEAEHO C[C@@H]1CC(C)(C)C[C@](CN)([N@@H+](C)CCCN(C)C)C1 ZINC000111133342 186356433 /nfs/dbraw/zinc/35/64/33/186356433.db2.gz UBPXFSCPQRKCMU-GDBMZVCRSA-N 1 3 269.477 2.414 10 0 CEAEHO C[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N(C)CCN(C)C ZINC000111130127 186356559 /nfs/dbraw/zinc/35/65/59/186356559.db2.gz MQIFITJKQQJXNT-BXKDBHETSA-N 1 3 275.849 2.283 10 0 CEAEHO CN[C@@H](C)c1cc(F)ccc1N(C)CCC[NH+](C)C ZINC000111138750 186356941 /nfs/dbraw/zinc/35/69/41/186356941.db2.gz VGUJTBRYQOSQNF-LBPRGKRZSA-N 1 3 267.392 2.494 10 0 CEAEHO CN[C@@H](CN(C)CCC[NH+](C)C)c1cc(C)ccc1OC ZINC000111135907 186357014 /nfs/dbraw/zinc/35/70/14/186357014.db2.gz CJCTYKUSFJAHFT-INIZCTEOSA-N 1 3 293.455 2.148 10 0 CEAEHO CCC[NH2+][C@H](CCC)[C@@H](CC)N(C)CCN(C)C ZINC000111135349 186358115 /nfs/dbraw/zinc/35/81/15/186358115.db2.gz STBXVBIPPHDZEL-HUUCEWRRSA-N 1 3 257.466 2.427 10 0 CEAEHO CCC[NH2+]C[C@](C)(CCC)CN(C)CCN(C)C ZINC000111146863 186358915 /nfs/dbraw/zinc/35/89/15/186358915.db2.gz SBORNNVKBNSBKV-HNNXBMFYSA-N 1 3 257.466 2.286 10 0 CEAEHO CC[NH2+][C@H](CCN(C)CCN(C)C)c1ccccc1 ZINC000111146916 186359543 /nfs/dbraw/zinc/35/95/43/186359543.db2.gz BDXPTJQCJAUMEX-MRXNPFEDSA-N 1 3 263.429 2.221 10 0 CEAEHO CCC[NH2+]Cc1cccc(CN(C)CCN(C)C)c1 ZINC000111149789 186360276 /nfs/dbraw/zinc/36/02/76/186360276.db2.gz RBAUOSIXWXRMRB-UHFFFAOYSA-N 1 3 263.429 2.180 10 0 CEAEHO CNC[C@@]1(C[NH+]2CCC(C)(C)CC2)CCCOC1 ZINC000111329054 186399411 /nfs/dbraw/zinc/39/94/11/186399411.db2.gz JLUFRRRUXUPECJ-OAHLLOKOSA-N 1 3 254.418 2.125 10 0 CEAEHO C[NH2+]C[C@@]1(CN2CCC(C)(C)CC2)CCCOC1 ZINC000111329054 186399412 /nfs/dbraw/zinc/39/94/12/186399412.db2.gz JLUFRRRUXUPECJ-OAHLLOKOSA-N 1 3 254.418 2.125 10 0 CEAEHO C[C@H]1C[C@@H]([NH2+][C@@H](CN(C)C)c2ccccc2)CCN1C ZINC000129854480 291084149 /nfs/dbraw/zinc/08/41/49/291084149.db2.gz IXNRRRANGGKUPG-XIRDDKMYSA-N 1 3 275.440 2.362 10 0 CEAEHO [NH3+]C1CCC(NCc2cnc(Cl)nc2Cl)CC1 ZINC000095072137 364332327 /nfs/dbraw/zinc/33/23/27/364332327.db2.gz OCQGLCWRLONXOQ-UHFFFAOYSA-N 1 3 275.183 2.143 10 0 CEAEHO CN(CCN1CCC[C@H]([NH+](C)C)C1)Cc1ccc(F)cc1 ZINC000159181317 366885538 /nfs/dbraw/zinc/88/55/38/366885538.db2.gz OKWSCTRYKFTLLR-KRWDZBQOSA-N 1 3 293.430 2.284 10 0 CEAEHO c1ccc(CN2CCCCC[C@@H](N[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000635023068 369059474 /nfs/dbraw/zinc/05/94/74/369059474.db2.gz RLMADAWTROWQGQ-QZTJIDSGSA-N 1 3 287.451 2.383 10 0 CEAEHO Cc1ccc(C)c(OCCN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261705939 371706331 /nfs/dbraw/zinc/70/63/31/371706331.db2.gz IYYWYKYXPCFQIV-ARFHVFGLSA-N 1 3 274.408 2.351 10 0 CEAEHO CCOc1ccc(OCCN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261790676 371734275 /nfs/dbraw/zinc/73/42/75/371734275.db2.gz XRYKCXUINUDMQV-JQFCIGGWSA-N 1 3 290.407 2.133 10 0 CEAEHO CCC([NH3+])(CC)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000094243942 184769207 /nfs/dbraw/zinc/76/92/07/184769207.db2.gz FQDWDCIWGKSVAH-UHFFFAOYSA-N 1 3 293.411 2.213 10 0 CEAEHO CCN(CC)CC[C@H]([NH3+])[C@H]1CCOC2(CCOCC2)C1 ZINC000094407257 184793931 /nfs/dbraw/zinc/79/39/31/184793931.db2.gz VMKDREQLIZKDDK-GJZGRUSLSA-N 1 3 284.444 2.021 10 0 CEAEHO CC[C@H](C)N1CCN([C@@]2(C[NH3+])CC(C)(C)OC2(C)C)CC1 ZINC000094425078 184795896 /nfs/dbraw/zinc/79/58/96/184795896.db2.gz SKHUSOGQFHMGTH-WMLDXEAASA-N 1 3 297.487 2.078 10 0 CEAEHO CC(C)C[C@@H](C[NH3+])CN1CCN(C(C)(C)C)CC1 ZINC000094701244 184842429 /nfs/dbraw/zinc/84/24/29/184842429.db2.gz DRLVVEADTHPIQY-AWEZNQCLSA-N 1 3 255.450 2.024 10 0 CEAEHO C[C@@H](N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400511188 533547523 /nfs/dbraw/zinc/54/75/23/533547523.db2.gz FNOAMRUZERRZRU-LMSBXDPUSA-N 1 3 287.451 2.095 10 0 CEAEHO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCCNCC1 ZINC000129099025 533661158 /nfs/dbraw/zinc/66/11/58/533661158.db2.gz IWCPYTCGGOWOOG-ZFWWWQNUSA-N 1 3 262.397 2.445 10 0 CEAEHO CC(C)NCc1cccnc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000091432347 135069887 /nfs/dbraw/zinc/06/98/87/135069887.db2.gz SABHTCKCNKXAQO-OAHLLOKOSA-N 1 3 276.428 2.110 10 0 CEAEHO C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)C1CNC1 ZINC000422820187 394810643 /nfs/dbraw/zinc/81/06/43/394810643.db2.gz PJQNPWPJDPDZCH-MFAVDMRSSA-N 1 3 250.308 2.305 10 0 CEAEHO C[C@@H](NCCc1cccc(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000415095255 394888091 /nfs/dbraw/zinc/88/80/91/394888091.db2.gz ZELHZDARFHDNBV-DGCLKSJQSA-N 1 3 252.789 2.470 10 0 CEAEHO CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000262975848 154001164 /nfs/dbraw/zinc/00/11/64/154001164.db2.gz YBYKOPDTXJKKCH-AFAVFJNCSA-N 1 3 299.418 2.329 10 0 CEAEHO CCC[C@H](N)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000168639821 162366998 /nfs/dbraw/zinc/36/69/98/162366998.db2.gz QQTDSRSFUXGIOQ-KBPBESRZSA-N 1 3 283.460 2.131 10 0 CEAEHO CCC[C@H](N)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000168639821 162367001 /nfs/dbraw/zinc/36/70/01/162367001.db2.gz QQTDSRSFUXGIOQ-KBPBESRZSA-N 1 3 283.460 2.131 10 0 CEAEHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCN1CCCCC1 ZINC000175054917 165124189 /nfs/dbraw/zinc/12/41/89/165124189.db2.gz RVVBDSTYCHGDGB-JKSUJKDBSA-N 1 3 265.445 2.031 10 0 CEAEHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CCN1CCCCC1 ZINC000175054917 165124192 /nfs/dbraw/zinc/12/41/92/165124192.db2.gz RVVBDSTYCHGDGB-JKSUJKDBSA-N 1 3 265.445 2.031 10 0 CEAEHO [NH3+]C[C@H](c1cccc(Cl)c1)N1CCN(CC2CC2)CC1 ZINC000020179642 171044521 /nfs/dbraw/zinc/04/45/21/171044521.db2.gz ATSGVSWOTMHBIJ-MRXNPFEDSA-N 1 3 293.842 2.367 10 0 CEAEHO CCCN1CCN([C@@H](C)[C@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000023069839 171410102 /nfs/dbraw/zinc/41/01/02/171410102.db2.gz SEYBDVLVHBZUKC-RDJZCZTQSA-N 1 3 275.440 2.411 10 0 CEAEHO CN1[C@@H]2CC[C@H]1CC(CN)([N@H+](C)C1CCCCC1)C2 ZINC000035221790 172064384 /nfs/dbraw/zinc/06/43/84/172064384.db2.gz SVZNHRNKBUUOCC-XYPWUTKMSA-N 1 3 265.445 2.205 10 0 CEAEHO CN1[C@@H]2CC[C@H]1CC(CN)([N@@H+](C)C1CCCCC1)C2 ZINC000035221790 172064386 /nfs/dbraw/zinc/06/43/86/172064386.db2.gz SVZNHRNKBUUOCC-XYPWUTKMSA-N 1 3 265.445 2.205 10 0 CEAEHO C[C@H](Cc1c(F)cccc1F)NC1CC[NH2+]CC1 ZINC000038041518 174042006 /nfs/dbraw/zinc/04/20/06/174042006.db2.gz JNYCCFYCUVYLSL-SNVBAGLBSA-N 1 3 254.324 2.237 10 0 CEAEHO C[C@H](Cc1c(F)cccc1F)[NH2+]C1CCNCC1 ZINC000038041518 174042008 /nfs/dbraw/zinc/04/20/08/174042008.db2.gz JNYCCFYCUVYLSL-SNVBAGLBSA-N 1 3 254.324 2.237 10 0 CEAEHO C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)[C@@H]1CCCN(C)C1 ZINC000038041946 174044240 /nfs/dbraw/zinc/04/42/40/174044240.db2.gz IOWMQIOULGGFNY-GVDBMIGSSA-N 1 3 281.488 2.428 10 0 CEAEHO NC[C@H](c1cccnc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693745 174377686 /nfs/dbraw/zinc/37/76/86/174377686.db2.gz ZDDBMHHGSPJVFZ-QGZVFWFLSA-N 1 3 288.439 2.032 10 0 CEAEHO C[C@@H]1CC[N@@H+](C2(CN)CCN(Cc3ccccc3)CC2)C1 ZINC000040717186 174384650 /nfs/dbraw/zinc/38/46/50/174384650.db2.gz XECPJMBXAAVFHM-MRXNPFEDSA-N 1 3 287.451 2.322 10 0 CEAEHO C[C@@H]1CC[N@H+](C2(CN)CCN(Cc3ccccc3)CC2)C1 ZINC000040717186 174384651 /nfs/dbraw/zinc/38/46/51/174384651.db2.gz XECPJMBXAAVFHM-MRXNPFEDSA-N 1 3 287.451 2.322 10 0 CEAEHO C[C@H]([NH3+])[C@H](c1ccccc1F)N(C)C1CCN(C)CC1 ZINC000043042525 174954194 /nfs/dbraw/zinc/95/41/94/174954194.db2.gz MVEOCEUMYPHVED-BLLLJJGKSA-N 1 3 279.403 2.240 10 0 CEAEHO CC[C@H]([NH3+])[C@@H](c1cccnc1)N(CCN(C)C)CC(C)C ZINC000043348613 175018359 /nfs/dbraw/zinc/01/83/59/175018359.db2.gz JKIAMMUQVODGAQ-DLBZAZTESA-N 1 3 292.471 2.380 10 0 CEAEHO CN1CCCN([C@@H](C[NH3+])c2ccc(Cl)c(F)c2)CC1 ZINC000043390205 175033926 /nfs/dbraw/zinc/03/39/26/175033926.db2.gz FLHYNXJEPPQMFL-AWEZNQCLSA-N 1 3 285.794 2.116 10 0 CEAEHO CCCN1CCN([C@@H]2Cc3ccccc3[C@@H]2[NH2+]CC)CC1 ZINC000043805528 175107786 /nfs/dbraw/zinc/10/77/86/175107786.db2.gz AEVRYQRPKVQRBZ-MSOLQXFVSA-N 1 3 287.451 2.290 10 0 CEAEHO CO[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000665275392 415666577 /nfs/dbraw/zinc/66/65/77/415666577.db2.gz JRZFTABWKJIGHE-AEGPPILISA-N 1 3 254.418 2.169 10 0 CEAEHO CO[C@H](C[NH2+][C@@H](C)[C@H]1CCCNC1)C1CCCC1 ZINC000665275392 415666582 /nfs/dbraw/zinc/66/65/82/415666582.db2.gz JRZFTABWKJIGHE-AEGPPILISA-N 1 3 254.418 2.169 10 0 CEAEHO c1ccc2c(c1)CCO[C@H]2C[NH2+]CCCN1CCCC1 ZINC000071091169 176031241 /nfs/dbraw/zinc/03/12/41/176031241.db2.gz IITOWJGCWNKHNP-KRWDZBQOSA-N 1 3 274.408 2.376 10 0 CEAEHO CN(C[C@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1CN ZINC000071187552 176060505 /nfs/dbraw/zinc/06/05/05/176060505.db2.gz ZHORSNIRNMAIKV-NSHDSACASA-N 1 3 267.804 2.187 10 0 CEAEHO CN(C[C@H]1CC[N@@H+](C)C1)c1ccc(Cl)cc1CN ZINC000071187552 176060506 /nfs/dbraw/zinc/06/05/06/176060506.db2.gz ZHORSNIRNMAIKV-NSHDSACASA-N 1 3 267.804 2.187 10 0 CEAEHO CC(C)CC[C@@](C)(CN)[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188550 176062715 /nfs/dbraw/zinc/06/27/15/176062715.db2.gz SJGLPAXJFNEULY-CABCVRRESA-N 1 3 255.450 2.024 10 0 CEAEHO CC(C)CC[C@@](C)(CN)[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188550 176062716 /nfs/dbraw/zinc/06/27/16/176062716.db2.gz SJGLPAXJFNEULY-CABCVRRESA-N 1 3 255.450 2.024 10 0 CEAEHO CCCC(CN)(CCC)[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188580 176063565 /nfs/dbraw/zinc/06/35/65/176063565.db2.gz VHCIWPXAYWXDNR-CQSZACIVSA-N 1 3 255.450 2.168 10 0 CEAEHO CCCC(CN)(CCC)[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188580 176063566 /nfs/dbraw/zinc/06/35/66/176063566.db2.gz VHCIWPXAYWXDNR-CQSZACIVSA-N 1 3 255.450 2.168 10 0 CEAEHO CN(C[C@H]1CC[N@H+](C)C1)c1ccccc1CNC1CC1 ZINC000071190025 176066012 /nfs/dbraw/zinc/06/60/12/176066012.db2.gz FYELVKRCJKCWKS-AWEZNQCLSA-N 1 3 273.424 2.327 10 0 CEAEHO CN(C[C@H]1CC[N@@H+](C)C1)c1ccccc1CNC1CC1 ZINC000071190025 176066013 /nfs/dbraw/zinc/06/60/13/176066013.db2.gz FYELVKRCJKCWKS-AWEZNQCLSA-N 1 3 273.424 2.327 10 0 CEAEHO Cc1ccc([C@@H](O)[C@H](C)N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071190636 176068414 /nfs/dbraw/zinc/06/84/14/176068414.db2.gz JCXQXWZLTWSLCL-UXLLHSPISA-N 1 3 276.424 2.300 10 0 CEAEHO Cc1ccc([C@@H](O)[C@H](C)N(C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071190636 176068415 /nfs/dbraw/zinc/06/84/15/176068415.db2.gz JCXQXWZLTWSLCL-UXLLHSPISA-N 1 3 276.424 2.300 10 0 CEAEHO Cc1cc(CN(C)C[C@@H]2CC[N@H+](C)C2)oc1CNC1CC1 ZINC000071192040 176072654 /nfs/dbraw/zinc/07/26/54/176072654.db2.gz RRAYATXOAMCQSH-CQSZACIVSA-N 1 3 291.439 2.224 10 0 CEAEHO Cc1cc(CN(C)C[C@@H]2CC[N@@H+](C)C2)oc1CNC1CC1 ZINC000071192040 176072655 /nfs/dbraw/zinc/07/26/55/176072655.db2.gz RRAYATXOAMCQSH-CQSZACIVSA-N 1 3 291.439 2.224 10 0 CEAEHO CCCNCc1cc(CN(C)C[C@@H]2CC[N@H+](C)C2)c(C)o1 ZINC000071192072 176073016 /nfs/dbraw/zinc/07/30/16/176073016.db2.gz DMMQHVLJFIYJAP-OAHLLOKOSA-N 1 3 293.455 2.471 10 0 CEAEHO CCCNCc1cc(CN(C)C[C@@H]2CC[N@@H+](C)C2)c(C)o1 ZINC000071192072 176073018 /nfs/dbraw/zinc/07/30/18/176073018.db2.gz DMMQHVLJFIYJAP-OAHLLOKOSA-N 1 3 293.455 2.471 10 0 CEAEHO [NH3+]Cc1cc(F)ccc1CN1CCCC[C@H]1CCO ZINC000071250002 176095116 /nfs/dbraw/zinc/09/51/16/176095116.db2.gz NRHFOYVLWOFCTB-HNNXBMFYSA-N 1 3 266.360 2.021 10 0 CEAEHO CC(C)N1CCN(CCCCCC[NH2+]C2CC2)CC1 ZINC000071288086 176110220 /nfs/dbraw/zinc/11/02/20/176110220.db2.gz HJRPNDSPYWAPOQ-UHFFFAOYSA-N 1 3 267.461 2.325 10 0 CEAEHO CCC[NH2+][C@@H]1CCC(C)(C)C[C@H]1CN(C)C[C@@H](C)O ZINC000079672138 177534831 /nfs/dbraw/zinc/53/48/31/177534831.db2.gz ANQONVNAJRUCMM-QLFBSQMISA-N 1 3 270.461 2.494 10 0 CEAEHO CC(C)[C@@H](CN(C)Cc1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000398004122 270355472 /nfs/dbraw/zinc/35/54/72/270355472.db2.gz PMLAXQPBBDPLNT-IAGOWNOFSA-N 1 3 275.440 2.095 10 0 CEAEHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H](O)C(C)(C)C ZINC000324462834 280601823 /nfs/dbraw/zinc/60/18/23/280601823.db2.gz YMPKQIHXBFLIEQ-HZSPNIEDSA-N 1 3 256.434 2.294 10 0 CEAEHO CC(C)CN1CCN(CC[NH2+]CCc2cccs2)CC1 ZINC000055075731 519726240 /nfs/dbraw/zinc/72/62/40/519726240.db2.gz NWLJANIBOIGXPX-UHFFFAOYSA-N 1 3 295.496 2.154 10 0 CEAEHO CC(C)CN1CCN([C@](C)(C[NH3+])CC(C)C)CC1 ZINC000055078519 519728641 /nfs/dbraw/zinc/72/86/41/519728641.db2.gz FKJQFNJZYYLMTA-HNNXBMFYSA-N 1 3 255.450 2.024 10 0 CEAEHO CCNCC1(C[N@H+](C)C2CCCC2)CCOCC1 ZINC000052181345 519911841 /nfs/dbraw/zinc/91/18/41/519911841.db2.gz IBYRROFJJCSFLA-UHFFFAOYSA-N 1 3 254.418 2.267 10 0 CEAEHO CCNCC1(C[N@@H+](C)C2CCCC2)CCOCC1 ZINC000052181345 519911845 /nfs/dbraw/zinc/91/18/45/519911845.db2.gz IBYRROFJJCSFLA-UHFFFAOYSA-N 1 3 254.418 2.267 10 0 CEAEHO CC[NH2+]CC1(CN(C)C2CCCC2)CCOCC1 ZINC000052181345 519911849 /nfs/dbraw/zinc/91/18/49/519911849.db2.gz IBYRROFJJCSFLA-UHFFFAOYSA-N 1 3 254.418 2.267 10 0 CEAEHO CCC[NH2+]CC[C@@H](C)N1CCN(C2CCCC2)CC1 ZINC000052573556 519918917 /nfs/dbraw/zinc/91/89/17/519918917.db2.gz LTAWMXSFTSBGFF-OAHLLOKOSA-N 1 3 267.461 2.325 10 0 CEAEHO CCC[NH2+]C[C@@H](C(C)C)N(C)C1CCN(C)CC1 ZINC000052419747 519920475 /nfs/dbraw/zinc/92/04/75/519920475.db2.gz GBAVTLNEQVOXMV-HNNXBMFYSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[NH2+][C@H](C)CCCN1CCN([C@H](C)CC)CC1 ZINC000055065139 520172176 /nfs/dbraw/zinc/17/21/76/520172176.db2.gz OTHUSOVLCCPTRX-HUUCEWRRSA-N 1 3 255.450 2.181 10 0 CEAEHO CC[NH+](CC)CCc1nc(C)cc(CNC(C)C)n1 ZINC000054831674 520712314 /nfs/dbraw/zinc/71/23/14/520712314.db2.gz NLEWSKIFYYOOPY-UHFFFAOYSA-N 1 3 264.417 2.167 10 0 CEAEHO CCCc1nc(N(C)C2CCN(C)CC2)sc1C[NH3+] ZINC000054994889 521528458 /nfs/dbraw/zinc/52/84/58/521528458.db2.gz USTOOZMETDWOKK-UHFFFAOYSA-N 1 3 282.457 2.085 10 0 CEAEHO CC(C)CN1CCN([C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000055079042 519727357 /nfs/dbraw/zinc/72/73/57/519727357.db2.gz JNDUQWXNCHKQIQ-RDJZCZTQSA-N 1 3 275.440 2.349 10 0 CEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000049560736 519775550 /nfs/dbraw/zinc/77/55/50/519775550.db2.gz OKJFDNNLTIDTRE-HNNXBMFYSA-N 1 3 292.427 2.243 10 0 CEAEHO CCCN1CCN(Cc2ccccc2C[NH2+]C2CC2)CC1 ZINC000052422084 519859293 /nfs/dbraw/zinc/85/92/93/519859293.db2.gz YFOJJKOTXUDTKT-UHFFFAOYSA-N 1 3 287.451 2.466 10 0 CEAEHO CCCN1CCN([C@H](C[NH2+]CC(C)C)C(C)C)CC1 ZINC000052421710 519859840 /nfs/dbraw/zinc/85/98/40/519859840.db2.gz IHJORKVUZHZZMQ-MRXNPFEDSA-N 1 3 269.477 2.284 10 0 CEAEHO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CCCn1ccnc1 ZINC000054601907 519909974 /nfs/dbraw/zinc/90/99/74/519909974.db2.gz AEFNFUMQBVPCAF-MQVJKMGUSA-N 1 3 276.428 2.268 10 0 CEAEHO CC[NH2+]CC1(CN2CCCC[C@@H]2C)CCOCC1 ZINC000052180688 519912734 /nfs/dbraw/zinc/91/27/34/519912734.db2.gz KHBJBDPUOFUBGE-AWEZNQCLSA-N 1 3 254.418 2.267 10 0 CEAEHO CCNCC1(C[NH+]2C[C@H](C)C[C@@H](C)C2)CCOCC1 ZINC000052180547 519913711 /nfs/dbraw/zinc/91/37/11/519913711.db2.gz MHQHFGJMSDRMLS-HUUCEWRRSA-N 1 3 268.445 2.371 10 0 CEAEHO CC[NH2+]CC1(CN2C[C@H](C)C[C@@H](C)C2)CCOCC1 ZINC000052180547 519913715 /nfs/dbraw/zinc/91/37/15/519913715.db2.gz MHQHFGJMSDRMLS-HUUCEWRRSA-N 1 3 268.445 2.371 10 0 CEAEHO CCC[NH2+]C[C@H](C(C)C)N1CCN(C(C)C)CC1 ZINC000052479955 519929719 /nfs/dbraw/zinc/92/97/19/519929719.db2.gz QPBIXCXXDXBOOI-OAHLLOKOSA-N 1 3 255.450 2.037 10 0 CEAEHO CCC[NH2+]C[C@H](CC)N1CCN(C2CCCC2)CC1 ZINC000052573464 519930949 /nfs/dbraw/zinc/93/09/49/519930949.db2.gz ITDOFRQZQBELLV-HNNXBMFYSA-N 1 3 267.461 2.325 10 0 CEAEHO CCC[NH2+]Cc1cc(N2CCN(CC(C)C)CC2)ccn1 ZINC000055082442 519948897 /nfs/dbraw/zinc/94/88/97/519948897.db2.gz JMSAPUCFKISALN-UHFFFAOYSA-N 1 3 290.455 2.359 10 0 CEAEHO CC[NH2+]C[C@@H]1CC[C@H](CN(C)Cc2cccc(F)c2)O1 ZINC000052425382 519953366 /nfs/dbraw/zinc/95/33/66/519953366.db2.gz OMNZAJZTTSXCEZ-JKSUJKDBSA-N 1 3 280.387 2.415 10 0 CEAEHO CCNC[C@@]1(C[N@H+](CC)CC2CC2)CCCOC1 ZINC000069262689 519958281 /nfs/dbraw/zinc/95/82/81/519958281.db2.gz XTVZIILEKPBVTC-OAHLLOKOSA-N 1 3 254.418 2.125 10 0 CEAEHO CCNC[C@@]1(C[N@@H+](CC)CC2CC2)CCCOC1 ZINC000069262689 519958287 /nfs/dbraw/zinc/95/82/87/519958287.db2.gz XTVZIILEKPBVTC-OAHLLOKOSA-N 1 3 254.418 2.125 10 0 CEAEHO CC[NH2+]C[C@@]1(CN(CC)CC2CC2)CCCOC1 ZINC000069262689 519958295 /nfs/dbraw/zinc/95/82/95/519958295.db2.gz XTVZIILEKPBVTC-OAHLLOKOSA-N 1 3 254.418 2.125 10 0 CEAEHO CC[NH2+]Cc1ccoc1CN1CCN(CC(C)C)CC1 ZINC000055082734 520011431 /nfs/dbraw/zinc/01/14/31/520011431.db2.gz XTJOLLAKUUOBET-UHFFFAOYSA-N 1 3 279.428 2.163 10 0 CEAEHO CCNCc1oc(CN2CCC[C@H]2C[NH+](C)C)cc1C ZINC000061654754 520028613 /nfs/dbraw/zinc/02/86/13/520028613.db2.gz VHDIBTPHOBVRPN-AWEZNQCLSA-N 1 3 279.428 2.224 10 0 CEAEHO CC[NH2+][C@H]1CCCC[C@@H]1CN(CCCOC)CCOC ZINC000053859117 520213896 /nfs/dbraw/zinc/21/38/96/520213896.db2.gz JSDLEUMBQABHDQ-CVEARBPZSA-N 1 3 286.460 2.140 10 0 CEAEHO CCC[C@@H](C)[NH2+]CCN1CCN([C@H](C)CC)CC1 ZINC000055075350 520667298 /nfs/dbraw/zinc/66/72/98/520667298.db2.gz ZIPZHKCBVWTGRB-HUUCEWRRSA-N 1 3 255.450 2.181 10 0 CEAEHO CCN(CC1CC1)[C@]1(C[NH3+])CCN(Cc2ccccc2)C1 ZINC000069237472 520970486 /nfs/dbraw/zinc/97/04/86/520970486.db2.gz DKXNNTUTDZFWDC-SFHVURJKSA-N 1 3 287.451 2.322 10 0 CEAEHO CCOC1CCN(C[C@H]2CC[C@@H](C[NH2+]C(C)C)O2)CC1 ZINC000052484090 521656122 /nfs/dbraw/zinc/65/61/22/521656122.db2.gz LANLARQSKYOCCU-JKSUJKDBSA-N 1 3 284.444 2.033 10 0 CEAEHO CCCN(CCN(C)C)[C@@H](C[NH2+]C)c1ccccc1 ZINC000052544283 521657631 /nfs/dbraw/zinc/65/76/31/521657631.db2.gz CPSRUZPDUBTLMU-INIZCTEOSA-N 1 3 263.429 2.221 10 0 CEAEHO CCCN(CCN(C)C)c1nc(C)c([C@H](C)[NH3+])s1 ZINC000054897696 521659057 /nfs/dbraw/zinc/65/90/57/521659057.db2.gz DXCYKBPECLNYAW-JTQLQIEISA-N 1 3 270.446 2.249 10 0 CEAEHO CCCN(CCN(C)C)c1ncccc1C[NH2+]C(C)C ZINC000051489767 521658960 /nfs/dbraw/zinc/65/89/60/521658960.db2.gz MEUFPADAIWAHGY-UHFFFAOYSA-N 1 3 278.444 2.358 10 0 CEAEHO CCN1CCN(Cc2ccc(C[NH2+]C3CC3)cc2)CC1 ZINC000052422471 521688254 /nfs/dbraw/zinc/68/82/54/521688254.db2.gz HDBRMFOKHMEXIG-UHFFFAOYSA-N 1 3 273.424 2.076 10 0 CEAEHO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CCCCN1C ZINC000054602504 521953265 /nfs/dbraw/zinc/95/32/65/521953265.db2.gz QDOOODOEOUAFRV-UYTSQGDYSA-N 1 3 265.445 2.076 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000055065455 522124231 /nfs/dbraw/zinc/12/42/31/522124231.db2.gz RHULKWJCLUWLLF-PBHICJAKSA-N 1 3 291.439 2.111 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@H](C)C[NH2+]CC(C)C)CC1 ZINC000055074762 522124696 /nfs/dbraw/zinc/12/46/96/522124696.db2.gz YDGCGQWATZPIKL-HZPDHXFCSA-N 1 3 269.477 2.284 10 0 CEAEHO CN(c1cc(Cl)ccc1C[NH3+])C1CCN(C)CC1 ZINC000062786739 523632491 /nfs/dbraw/zinc/63/24/91/523632491.db2.gz HIKTXMWHBRBFHL-UHFFFAOYSA-N 1 3 267.804 2.329 10 0 CEAEHO CN(c1cc(Cl)ccc1CN)C1CC[NH+](C)CC1 ZINC000062786739 523632503 /nfs/dbraw/zinc/63/25/03/523632503.db2.gz HIKTXMWHBRBFHL-UHFFFAOYSA-N 1 3 267.804 2.329 10 0 CEAEHO CN1CCC([N@@H+]2CCCN[C@@H](c3ccccc3)C2)CC1 ZINC000062667080 523768866 /nfs/dbraw/zinc/76/88/66/523768866.db2.gz NOBLZJDTNKRYMY-QGZVFWFLSA-N 1 3 273.424 2.117 10 0 CEAEHO CN1CCC([N@H+]2CCCN[C@@H](c3ccccc3)C2)CC1 ZINC000062667080 523768870 /nfs/dbraw/zinc/76/88/70/523768870.db2.gz NOBLZJDTNKRYMY-QGZVFWFLSA-N 1 3 273.424 2.117 10 0 CEAEHO CN1CCC(Oc2cc(Cl)ccc2C[NH3+])CC1 ZINC000062787204 523780457 /nfs/dbraw/zinc/78/04/57/523780457.db2.gz AZXGSDGUWMUTJL-UHFFFAOYSA-N 1 3 254.761 2.272 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@@H]([NH3+])c2ccc(OC)cc2)CC1 ZINC000055065445 523954452 /nfs/dbraw/zinc/95/44/52/523954452.db2.gz LNNXBKFBPUPNQC-WMLDXEAASA-N 1 3 291.439 2.111 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000055063889 523957772 /nfs/dbraw/zinc/95/77/72/523957772.db2.gz HEGCSDMUIRIOSP-BBRMVZONSA-N 1 3 279.403 2.242 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H]([C@@H](C)[NH3+])C(C)(C)C)CC1 ZINC000055063983 523958454 /nfs/dbraw/zinc/95/84/54/523958454.db2.gz ADYPYGYCJFHNGZ-MJBXVCDLSA-N 1 3 255.450 2.164 10 0 CEAEHO CC[C@H](C)N1CCN([C@]2(C[NH3+])CCCC[C@@H]2C)CC1 ZINC000055064716 523959053 /nfs/dbraw/zinc/95/90/53/523959053.db2.gz ICIDFFMUSHGZDW-JYJNAYRXSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C[NH3+])c2cccc(C)c2)CC1 ZINC000055063620 523959397 /nfs/dbraw/zinc/95/93/97/523959397.db2.gz NFOHRFPTDDPPQZ-DOTOQJQBSA-N 1 3 275.440 2.411 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C[NH2+]C)c2ccccc2)CC1 ZINC000055074158 523959559 /nfs/dbraw/zinc/95/95/59/523959559.db2.gz KALXNKRSWVGFHM-DOTOQJQBSA-N 1 3 275.440 2.363 10 0 CEAEHO CC[C@H](C)N1CCN([C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069267076 523959672 /nfs/dbraw/zinc/95/96/72/523959672.db2.gz NSTGGXBEHTYUFT-YOEHRIQHSA-N 1 3 273.424 2.247 10 0 CEAEHO C[C@H]([NH3+])[C@H](c1ccsc1)N(C)CCN1CCCC1 ZINC000063050879 524855883 /nfs/dbraw/zinc/85/58/83/524855883.db2.gz ISNHKXKJKSKCBA-GXTWGEPZSA-N 1 3 267.442 2.164 10 0 CEAEHO C[C@@H]([NH3+])c1cccc(NC(=O)N2CCC[C@H]2CN(C)C)c1 ZINC000061655767 525029650 /nfs/dbraw/zinc/02/96/50/525029650.db2.gz ZGSLDQKHMKKVFV-DOMZBBRYSA-N 1 3 290.411 2.264 10 0 CEAEHO Cc1oc(COCCC[NH+](C)C)cc1CNC1CC1 ZINC000052672351 526775277 /nfs/dbraw/zinc/77/52/77/526775277.db2.gz IIQFZYHHWAIEIK-UHFFFAOYSA-N 1 3 266.385 2.308 10 0 CEAEHO NC(=[NH2+])c1cc(Cl)ccc1OCCN1CCCC1 ZINC000052860378 526820540 /nfs/dbraw/zinc/82/05/40/526820540.db2.gz IMDIPJYIYCJJOT-UHFFFAOYSA-N 1 3 267.760 2.099 10 0 CEAEHO NC(=[NH2+])c1ccc(Cl)cc1N1CCN(CC2CC2)CC1 ZINC000062788889 526821568 /nfs/dbraw/zinc/82/15/68/526821568.db2.gz SSLCNCJSYMELLL-UHFFFAOYSA-N 1 3 292.814 2.156 10 0 CEAEHO CCC[NH2+]Cc1sc(CCN(C)C)nc1CC ZINC000082425747 178000343 /nfs/dbraw/zinc/00/03/43/178000343.db2.gz HIEDTFMLPLOGKS-UHFFFAOYSA-N 1 3 255.431 2.309 10 0 CEAEHO C[C@H](Cn1cncc1[C@@H]1CCC[C@@H](C)N1)[NH+](C)C ZINC000097020152 185152849 /nfs/dbraw/zinc/15/28/49/185152849.db2.gz DZANVTWYEGUILW-UPJWGTAASA-N 1 3 250.390 2.036 10 0 CEAEHO CCn1ncc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c1C ZINC000169781450 344482641 /nfs/dbraw/zinc/48/26/41/344482641.db2.gz SLHBOWJENUTBKA-INIZCTEOSA-N 1 3 290.455 2.375 10 0 CEAEHO CC[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CCn1ccnc1C ZINC000085510332 179085912 /nfs/dbraw/zinc/08/59/12/179085912.db2.gz LSTCYUHNPPGNTL-JKSUJKDBSA-N 1 3 276.428 2.044 10 0 CEAEHO CC[C@H]1CN[C@@](C)(C2CC2)C[N@H+]1CCn1ccnc1C ZINC000085510332 179085914 /nfs/dbraw/zinc/08/59/14/179085914.db2.gz LSTCYUHNPPGNTL-JKSUJKDBSA-N 1 3 276.428 2.044 10 0 CEAEHO CCC1(CC)C[N@H+](CCn2ccnc2C)[C@H](C)CN1 ZINC000085516789 179087586 /nfs/dbraw/zinc/08/75/86/179087586.db2.gz UKDYELHQVDKGNR-CYBMUJFWSA-N 1 3 264.417 2.044 10 0 CEAEHO CCC1(CC)C[N@@H+](CCn2ccnc2C)[C@H](C)CN1 ZINC000085516789 179087587 /nfs/dbraw/zinc/08/75/87/179087587.db2.gz UKDYELHQVDKGNR-CYBMUJFWSA-N 1 3 264.417 2.044 10 0 CEAEHO CCCCOCC[N@@H+]1CCCNC2(CCCC2)C1 ZINC000085612531 179103466 /nfs/dbraw/zinc/10/34/66/179103466.db2.gz JYLJLGJFTIEWRX-UHFFFAOYSA-N 1 3 254.418 2.411 10 0 CEAEHO CCCCOCC[N@H+]1CCCNC2(CCCC2)C1 ZINC000085612531 179103467 /nfs/dbraw/zinc/10/34/67/179103467.db2.gz JYLJLGJFTIEWRX-UHFFFAOYSA-N 1 3 254.418 2.411 10 0 CEAEHO C[C@@H]1CCN[C@H](C2CC2)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085626601 179106437 /nfs/dbraw/zinc/10/64/37/179106437.db2.gz RBUAJFVMVWFMNX-SNPRPXQTSA-N 1 3 252.402 2.018 10 0 CEAEHO C[C@@H]1CCN[C@H](C2CC2)C[N@H+]1C[C@@H]1CCCCO1 ZINC000085626601 179106439 /nfs/dbraw/zinc/10/64/39/179106439.db2.gz RBUAJFVMVWFMNX-SNPRPXQTSA-N 1 3 252.402 2.018 10 0 CEAEHO CCCCOCC[N@@H+]1C[C@@H](C2CC2)NCC[C@@H]1C ZINC000085626299 179106446 /nfs/dbraw/zinc/10/64/46/179106446.db2.gz INIDHKPLFATZTP-ZFWWWQNUSA-N 1 3 254.418 2.266 10 0 CEAEHO CCCCOCC[N@H+]1C[C@@H](C2CC2)NCC[C@@H]1C ZINC000085626299 179106449 /nfs/dbraw/zinc/10/64/49/179106449.db2.gz INIDHKPLFATZTP-ZFWWWQNUSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[N@@H+]1CC[C@H](CN2CCN[C@@](C)(c3ccccc3)C2)C1 ZINC000086141822 179236641 /nfs/dbraw/zinc/23/66/41/179236641.db2.gz SELLJXXBAFUDGE-FUHWJXTLSA-N 1 3 287.451 2.149 10 0 CEAEHO CC[N@H+]1CC[C@H](CN2CCN[C@@](C)(c3ccccc3)C2)C1 ZINC000086141822 179236643 /nfs/dbraw/zinc/23/66/43/179236643.db2.gz SELLJXXBAFUDGE-FUHWJXTLSA-N 1 3 287.451 2.149 10 0 CEAEHO CC(C)C[C@@H]1C[N@H+](C2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086217869 179249776 /nfs/dbraw/zinc/24/97/76/179249776.db2.gz MYKYCRSGGRAXPF-WBVHZDCISA-N 1 3 281.488 2.425 10 0 CEAEHO CC(C)C[C@@H]1C[N@@H+](C2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086217869 179249777 /nfs/dbraw/zinc/24/97/77/179249777.db2.gz MYKYCRSGGRAXPF-WBVHZDCISA-N 1 3 281.488 2.425 10 0 CEAEHO CC[C@H]1CN[C@@H](CC(C)C)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223175 179252577 /nfs/dbraw/zinc/25/25/77/179252577.db2.gz JLGOWXVRPQLKJI-PMPSAXMXSA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@H]1CN[C@@H](CC(C)C)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223175 179252582 /nfs/dbraw/zinc/25/25/82/179252582.db2.gz JLGOWXVRPQLKJI-PMPSAXMXSA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@H]1CN[C@@](C)(CC)C[N@@H+]1[C@@H]1CCCN(CC)C1 ZINC000086225411 179253564 /nfs/dbraw/zinc/25/35/64/179253564.db2.gz 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/nfs/dbraw/zinc/35/47/07/179354707.db2.gz SMDHCUUOOGWJAC-GFCCVEGCSA-N 1 3 282.350 2.418 10 0 CEAEHO CCC[C@H]1CCC[C@](CO)(N2CCC[NH2+]CC2)CC1 ZINC000086952103 179368525 /nfs/dbraw/zinc/36/85/25/179368525.db2.gz PROHLWCQSMQSRC-HOTGVXAUSA-N 1 3 268.445 2.393 10 0 CEAEHO C[N@@H+]1CCCC[C@H]1CCNCC1(O)CCCCC1 ZINC000087029184 179382359 /nfs/dbraw/zinc/38/23/59/179382359.db2.gz DHSKQJRLQSWZAG-AWEZNQCLSA-N 1 3 254.418 2.146 10 0 CEAEHO C[N@H+]1CCCC[C@H]1CCNCC1(O)CCCCC1 ZINC000087029184 179382360 /nfs/dbraw/zinc/38/23/60/179382360.db2.gz DHSKQJRLQSWZAG-AWEZNQCLSA-N 1 3 254.418 2.146 10 0 CEAEHO C[C@H](Nc1cccc(OCCN(C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000400718509 233180782 /nfs/dbraw/zinc/18/07/82/233180782.db2.gz NWABMOPULYJADO-UONOGXRCSA-N 1 3 277.412 2.037 10 0 CEAEHO CCCN[C@H]1COC[C@H]1C[NH+]1CCC(C)(C)CC1 ZINC000090566821 180006481 /nfs/dbraw/zinc/00/64/81/180006481.db2.gz YJQKZSJBQXXRKX-KGLIPLIRSA-N 1 3 254.418 2.123 10 0 CEAEHO CCC[NH2+][C@H]1COC[C@H]1CN1CCC(C)(C)CC1 ZINC000090566821 180006482 /nfs/dbraw/zinc/00/64/82/180006482.db2.gz YJQKZSJBQXXRKX-KGLIPLIRSA-N 1 3 254.418 2.123 10 0 CEAEHO C[C@H]([NH3+])[C@@H]1CCCN(C[C@@H]2Cc3ccccc3O2)C1 ZINC000090873619 180050067 /nfs/dbraw/zinc/05/00/67/180050067.db2.gz ZZEMARNDIDWPGI-CFVMTHIKSA-N 1 3 260.381 2.049 10 0 CEAEHO c1ccc2c(c1)C[C@H](C[NH2+]C[C@H]1CCN(C3CC3)C1)O2 ZINC000090874333 180050159 /nfs/dbraw/zinc/05/01/59/180050159.db2.gz MBFIDSATWZUCCB-CZUORRHYSA-N 1 3 272.392 2.064 10 0 CEAEHO c1ccc2c(c1)C[C@H](CNC[C@H]1CC[N@@H+](C3CC3)C1)O2 ZINC000090874333 180050161 /nfs/dbraw/zinc/05/01/61/180050161.db2.gz MBFIDSATWZUCCB-CZUORRHYSA-N 1 3 272.392 2.064 10 0 CEAEHO c1ccc2c(c1)C[C@H](CNC[C@H]1CC[N@H+](C3CC3)C1)O2 ZINC000090874333 180050163 /nfs/dbraw/zinc/05/01/63/180050163.db2.gz MBFIDSATWZUCCB-CZUORRHYSA-N 1 3 272.392 2.064 10 0 CEAEHO C[N@@H+]1CCC[C@@H](CNC[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090892554 180054259 /nfs/dbraw/zinc/05/42/59/180054259.db2.gz BHCDSBNGQNSXOT-WFASDCNBSA-N 1 3 278.371 2.061 10 0 CEAEHO C[N@H+]1CCC[C@@H](CNC[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090892554 180054262 /nfs/dbraw/zinc/05/42/62/180054262.db2.gz BHCDSBNGQNSXOT-WFASDCNBSA-N 1 3 278.371 2.061 10 0 CEAEHO CN(CC[C@H]1C[NH2+]CCO1)Cc1ccccc1Cl ZINC000091313758 180132971 /nfs/dbraw/zinc/13/29/71/180132971.db2.gz UHQJKSGJTNXXLI-ZDUSSCGKSA-N 1 3 268.788 2.150 10 0 CEAEHO CN[C@H]1CCCc2sc(N3CCC[C@H]([NH+](C)C)C3)nc21 ZINC000091429152 180152911 /nfs/dbraw/zinc/15/29/11/180152911.db2.gz XLFGOVQAWMZMQZ-RYUDHWBXSA-N 1 3 294.468 2.270 10 0 CEAEHO COc1ccc([C@H](N)[C@H](C)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091392839 180145733 /nfs/dbraw/zinc/14/57/33/180145733.db2.gz QAJJZGPPPCHWNB-JLJPHGGASA-N 1 3 291.439 2.110 10 0 CEAEHO C[NH2+][C@@H](C)C(C)(C)CN1CCN(C2CCCC2)CC1 ZINC000091404598 180147097 /nfs/dbraw/zinc/14/70/97/180147097.db2.gz YENMYFMQRNTPPD-AWEZNQCLSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[NH2+][C@H](C)C(C)(C)CN1CCN(C(C)(C)C)CC1 ZINC000091404187 180147099 /nfs/dbraw/zinc/14/70/99/180147099.db2.gz YFPIRWSHGFVZFZ-CQSZACIVSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@@](C)([C@H](Cc1cnccc1N)[NH2+]C)N1CCCC1 ZINC000091606168 180204683 /nfs/dbraw/zinc/20/46/83/180204683.db2.gz QTJUORBCXIPAEL-HOTGVXAUSA-N 1 3 276.428 2.059 10 0 CEAEHO N[C@H](Cc1ccc(F)cc1Cl)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720716 180235712 /nfs/dbraw/zinc/23/57/12/180235712.db2.gz ABOJJBXGTZELKL-BPLDGKMQSA-N 1 3 298.789 2.212 10 0 CEAEHO N[C@H](Cc1ccc(F)cc1Cl)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720716 180235715 /nfs/dbraw/zinc/23/57/15/180235715.db2.gz ABOJJBXGTZELKL-BPLDGKMQSA-N 1 3 298.789 2.212 10 0 CEAEHO CCCCOC(=O)CN(CCC)C1CCC([NH3+])CC1 ZINC000091852446 180273087 /nfs/dbraw/zinc/27/30/87/180273087.db2.gz PYBDPBJPIUHWKU-UHFFFAOYSA-N 1 3 270.417 2.312 10 0 CEAEHO CCN(C(=O)CN(C)C1CCC([NH3+])CC1)C1=CCCCC1 ZINC000091846726 180270207 /nfs/dbraw/zinc/27/02/07/180270207.db2.gz OEXSMDYHSJCLJE-UHFFFAOYSA-N 1 3 293.455 2.495 10 0 CEAEHO CCN(CC(=O)NC1CCCCC1)C1CCC([NH3+])CC1 ZINC000091850847 180271818 /nfs/dbraw/zinc/27/18/18/180271818.db2.gz LGSXEOTUFSICOF-UHFFFAOYSA-N 1 3 281.444 2.027 10 0 CEAEHO C[NH2+]C1CCC(N(C)CC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000091873253 180277964 /nfs/dbraw/zinc/27/79/64/180277964.db2.gz UPHZHUPTDGXHJQ-SLTXQBBLSA-N 1 3 295.471 2.144 10 0 CEAEHO CCCNCc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccn1 ZINC000092003381 180304542 /nfs/dbraw/zinc/30/45/42/180304542.db2.gz HJYJUPDCSUKLOV-WBVHZDCISA-N 1 3 288.439 2.254 10 0 CEAEHO CCCNCc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)ccn1 ZINC000092003381 180304543 /nfs/dbraw/zinc/30/45/43/180304543.db2.gz HJYJUPDCSUKLOV-WBVHZDCISA-N 1 3 288.439 2.254 10 0 CEAEHO CC(C)NCc1coc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000092003565 180304616 /nfs/dbraw/zinc/30/46/16/180304616.db2.gz XVGLXINREOBYMU-CVEARBPZSA-N 1 3 291.439 2.446 10 0 CEAEHO CC(C)NCc1coc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000092003565 180304619 /nfs/dbraw/zinc/30/46/19/180304619.db2.gz XVGLXINREOBYMU-CVEARBPZSA-N 1 3 291.439 2.446 10 0 CEAEHO CCCNC[C@]1(C[N@@H+]2C[C@H](C)[C@H](C)C2)CCCOC1 ZINC000092088417 180321696 /nfs/dbraw/zinc/32/16/96/180321696.db2.gz IIVNOFBCIMAVRX-XHSDSOJGSA-N 1 3 268.445 2.371 10 0 CEAEHO CCCNC[C@]1(C[N@H+]2C[C@H](C)[C@H](C)C2)CCCOC1 ZINC000092088417 180321697 /nfs/dbraw/zinc/32/16/97/180321697.db2.gz IIVNOFBCIMAVRX-XHSDSOJGSA-N 1 3 268.445 2.371 10 0 CEAEHO [NH3+][C@H]1C=C[C@H](C(=O)Nc2ccccc2CN2CCCC2)C1 ZINC000092203851 180343767 /nfs/dbraw/zinc/34/37/67/180343767.db2.gz DBCAJMXXJZDLNH-ZFWWWQNUSA-N 1 3 285.391 2.124 10 0 CEAEHO CC[NH+](CC)C[C@H](C)NC1=N[C@@H](C(C)C)CS1 ZINC000092402542 180378437 /nfs/dbraw/zinc/37/84/37/180378437.db2.gz NQQGLGBRUNYGJE-NWDGAFQWSA-N 1 3 257.447 2.434 10 0 CEAEHO Cc1cccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000092431280 180384100 /nfs/dbraw/zinc/38/41/00/180384100.db2.gz IDHHAOLELIWDSO-MRXNPFEDSA-N 1 3 259.397 2.354 10 0 CEAEHO CC[NH2+][C@@H](C)[C@@H](CC)c1nc(CCN(CC)CC)no1 ZINC000109496135 186256575 /nfs/dbraw/zinc/25/65/75/186256575.db2.gz FMXPELBKZOQTGF-QWHCGFSZSA-N 1 3 282.432 2.446 10 0 CEAEHO CCC[C@@H](C[NH3+])N1CCN(CCC(C)(C)C)CC1 ZINC000109463544 186254508 /nfs/dbraw/zinc/25/45/08/186254508.db2.gz ZKGVFBPINOXULO-AWEZNQCLSA-N 1 3 255.450 2.168 10 0 CEAEHO CC[NH+](CC)[C@@H]1CCN(C[C@@H]2Cc3ccccc3CN2)C1 ZINC000110370648 186294836 /nfs/dbraw/zinc/29/48/36/186294836.db2.gz YAZKDUNDOOOVOX-ZWKOTPCHSA-N 1 3 287.451 2.117 10 0 CEAEHO Cc1ccc([C@@H](C[NH3+])N(C)[C@@H]2CCCN(C)C2)cc1F ZINC000110977834 186338888 /nfs/dbraw/zinc/33/88/88/186338888.db2.gz VSLPBRCLWLATHH-GDBMZVCRSA-N 1 3 279.403 2.160 10 0 CEAEHO C[NH2+][C@H](CN1CCN(C)C(C)(C)C1)c1ccc(C)cc1 ZINC000110717128 186315426 /nfs/dbraw/zinc/31/54/26/186315426.db2.gz OPUWLMVDQPJKGI-MRXNPFEDSA-N 1 3 275.440 2.282 10 0 CEAEHO CCOc1ccc([C@@H]([NH3+])CN2CCN(CC)[C@@H](C)C2)cc1 ZINC000110714485 186315513 /nfs/dbraw/zinc/31/55/13/186315513.db2.gz CIPGOLBACZYAHN-YOEHRIQHSA-N 1 3 291.439 2.111 10 0 CEAEHO C[C@H](c1ccccc1)[C@H](C[NH3+])N1CCN(C)C(C)(C)C1 ZINC000110711751 186315883 /nfs/dbraw/zinc/31/58/83/186315883.db2.gz NSPSFPRERFUEAK-ZBFHGGJFSA-N 1 3 275.440 2.143 10 0 CEAEHO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CN1CCN(C)C(C)(C)C1 ZINC000110746819 186319277 /nfs/dbraw/zinc/31/92/77/186319277.db2.gz SMOUGKHKCCYQBY-ARFHVFGLSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@H](C[NH2+]C(C)(C)C)N1CCN(C)C(C)(C)C1 ZINC000110755237 186322033 /nfs/dbraw/zinc/32/20/33/186322033.db2.gz JDAAEVPJGYSKIC-CYBMUJFWSA-N 1 3 255.450 2.179 10 0 CEAEHO CC(C)CN1CCN([C@@H](C[NH3+])c2cccc(F)c2F)CC1 ZINC000111039979 186346512 /nfs/dbraw/zinc/34/65/12/186346512.db2.gz NIOXRNLPPKYJBB-HNNXBMFYSA-N 1 3 297.393 2.238 10 0 CEAEHO CC[NH+]1CCC(N(C)[C@H](CN)c2cccc(F)c2F)CC1 ZINC000111039765 186346603 /nfs/dbraw/zinc/34/66/03/186346603.db2.gz SFKMZXIWTUCJIC-OAHLLOKOSA-N 1 3 297.393 2.381 10 0 CEAEHO C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N(C)CCN(C)C ZINC000111130216 186355884 /nfs/dbraw/zinc/35/58/84/186355884.db2.gz XPBIEAFUARCZPF-SMDDNHRTSA-N 1 3 269.820 2.222 10 0 CEAEHO Cc1cc(C)c([C@@H](C[NH3+])N(C)CCN(C)C)c(C)c1 ZINC000111132968 186356397 /nfs/dbraw/zinc/35/63/97/186356397.db2.gz CGPYNDNPNOELMA-OAHLLOKOSA-N 1 3 263.429 2.105 10 0 CEAEHO CN(C)CCN(C)[C@@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000111133089 186356509 /nfs/dbraw/zinc/35/65/09/186356509.db2.gz YURVYJIIWAXRID-LBPRGKRZSA-N 1 3 290.238 2.487 10 0 CEAEHO CCC[NH2+][C@H]1c2ccccc2C[C@H]1N(C)CCN(C)C ZINC000111135528 186357360 /nfs/dbraw/zinc/35/73/60/186357360.db2.gz YDQHKVYUJZIDGU-SJORKVTESA-N 1 3 275.440 2.145 10 0 CEAEHO CN[C@@H](C)c1c(F)cccc1N(C)CC[NH+](C)C ZINC000111138383 186357508 /nfs/dbraw/zinc/35/75/08/186357508.db2.gz XINGFUBSYBUJSZ-NSHDSACASA-N 1 3 253.365 2.104 10 0 CEAEHO CN[C@H](C)c1c(F)cccc1N(C)CC[NH+](C)C ZINC000111138386 186357612 /nfs/dbraw/zinc/35/76/12/186357612.db2.gz XINGFUBSYBUJSZ-LLVKDONJSA-N 1 3 253.365 2.104 10 0 CEAEHO CCC(CC)(C[NH2+]C1CC1)CN(C)CCN(C)C ZINC000111146613 186358961 /nfs/dbraw/zinc/35/89/61/186358961.db2.gz WFUMHRXEKFJVHP-UHFFFAOYSA-N 1 3 255.450 2.038 10 0 CEAEHO CNCc1cc2ccccc2c(N(C)CCC[NH+](C)C)n1 ZINC000111149404 186359024 /nfs/dbraw/zinc/35/90/24/186359024.db2.gz DVOBQSBAABJNGK-UHFFFAOYSA-N 1 3 286.423 2.342 10 0 CEAEHO CN(CCC[NH+](C)C)c1cc(CN)nc2ccccc21 ZINC000111149240 186359236 /nfs/dbraw/zinc/35/92/36/186359236.db2.gz QKJPNOPXSVBGLV-UHFFFAOYSA-N 1 3 272.396 2.081 10 0 CEAEHO CCC[NH2+]Cc1c(C)cc(C)nc1N(C)CCN(C)C ZINC000111149000 186359242 /nfs/dbraw/zinc/35/92/42/186359242.db2.gz KDUWOXLTWSLXEL-UHFFFAOYSA-N 1 3 278.444 2.196 10 0 CEAEHO C[N@H+](C[C@H]1CCCOC1)CC(C)(C)CNC1CC1 ZINC000111171478 186365262 /nfs/dbraw/zinc/36/52/62/186365262.db2.gz RRKSDEICSHNDRD-CYBMUJFWSA-N 1 3 254.418 2.123 10 0 CEAEHO C[N@@H+](C[C@H]1CCCOC1)CC(C)(C)CNC1CC1 ZINC000111171478 186365264 /nfs/dbraw/zinc/36/52/64/186365264.db2.gz RRKSDEICSHNDRD-CYBMUJFWSA-N 1 3 254.418 2.123 10 0 CEAEHO CN(C[C@H]1CCCOC1)CC(C)(C)C[NH2+]C1CC1 ZINC000111171478 186365265 /nfs/dbraw/zinc/36/52/65/186365265.db2.gz RRKSDEICSHNDRD-CYBMUJFWSA-N 1 3 254.418 2.123 10 0 CEAEHO CCN(CC)C[C@]1(C[NH2+]CC(C)C)CCCOC1 ZINC000111323676 186396704 /nfs/dbraw/zinc/39/67/04/186396704.db2.gz QZCIVFKZKRHFNZ-OAHLLOKOSA-N 1 3 256.434 2.371 10 0 CEAEHO CC(C)[NH2+]C[C@H]1CCCN(C[C@@H]2CCCOC2)C1 ZINC000111322145 186397955 /nfs/dbraw/zinc/39/79/55/186397955.db2.gz CVTKFUTYNSQKOF-CABCVRRESA-N 1 3 254.418 2.123 10 0 CEAEHO CCC[NH2+]C[C@@]1(CN2CCC[C@@H]2CCCO)CCCOC1 ZINC000111328867 186399493 /nfs/dbraw/zinc/39/94/93/186399493.db2.gz GWGRWUUWOSJOIY-IAGOWNOFSA-N 1 3 298.471 2.020 10 0 CEAEHO CCCNC[C@@]1(C[N@@H+]2CCC[C@@H]2CCCO)CCCOC1 ZINC000111328867 186399495 /nfs/dbraw/zinc/39/94/95/186399495.db2.gz GWGRWUUWOSJOIY-IAGOWNOFSA-N 1 3 298.471 2.020 10 0 CEAEHO CCCNC[C@@]1(C[N@H+]2CCC[C@@H]2CCCO)CCCOC1 ZINC000111328867 186399496 /nfs/dbraw/zinc/39/94/96/186399496.db2.gz GWGRWUUWOSJOIY-IAGOWNOFSA-N 1 3 298.471 2.020 10 0 CEAEHO CC(C)[C@H](C)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629562380 351415511 /nfs/dbraw/zinc/41/55/11/351415511.db2.gz MOJMMNJIPIFHKS-DCAQKATOSA-N 1 3 252.324 2.490 10 0 CEAEHO Cc1cccc(OCCN[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000583487550 367056359 /nfs/dbraw/zinc/05/63/59/367056359.db2.gz FJVJHBVDYKXREQ-LSDHHAIUSA-N 1 3 262.397 2.352 10 0 CEAEHO CCC[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)N(C)C ZINC000162312400 367151746 /nfs/dbraw/zinc/15/17/46/367151746.db2.gz BSBJZSGRWDWATN-CVEARBPZSA-N 1 3 295.471 2.051 10 0 CEAEHO CN(CCc1ccc2c(c1)CCO2)[C@H]1CCC[NH2+]CC1 ZINC000231668199 370486200 /nfs/dbraw/zinc/48/62/00/370486200.db2.gz DQTASGHLQNZSIU-INIZCTEOSA-N 1 3 274.408 2.238 10 0 CEAEHO C[N@H+](CCc1ccc2c(c1)CCO2)[C@H]1CCCNCC1 ZINC000231668199 370486203 /nfs/dbraw/zinc/48/62/03/370486203.db2.gz DQTASGHLQNZSIU-INIZCTEOSA-N 1 3 274.408 2.238 10 0 CEAEHO C[N@@H+](CCc1ccc2c(c1)CCO2)[C@H]1CCCNCC1 ZINC000231668199 370486204 /nfs/dbraw/zinc/48/62/04/370486204.db2.gz DQTASGHLQNZSIU-INIZCTEOSA-N 1 3 274.408 2.238 10 0 CEAEHO C[C@@H]1C[C@H]([NH2+][C@H](CN(C)C)c2ccccc2)CCN1C ZINC000247970010 371152137 /nfs/dbraw/zinc/15/21/37/371152137.db2.gz IXNRRRANGGKUPG-DJIMGWMZSA-N 1 3 275.440 2.362 10 0 CEAEHO OC[C@@H]1CN(Cc2ccc(Cl)cc2)CC12CC[NH2+]CC2 ZINC000257183837 371604852 /nfs/dbraw/zinc/60/48/52/371604852.db2.gz SJXXRRJFVYVZSF-AWEZNQCLSA-N 1 3 294.826 2.134 10 0 CEAEHO CCC1(N(C)C)CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000640015811 371736428 /nfs/dbraw/zinc/73/64/28/371736428.db2.gz OKWQLEGVYHQVOW-CABCVRRESA-N 1 3 268.445 2.344 10 0 CEAEHO CCC[C@H](COC)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000079740712 134492985 /nfs/dbraw/zinc/49/29/85/134492985.db2.gz ZRAMYSBJUCITPB-OAHLLOKOSA-N 1 3 277.412 2.455 10 0 CEAEHO C[NH+](C)[C@H]1CCCN(c2c(CN)cnc3ccccc32)C1 ZINC000091393288 135068449 /nfs/dbraw/zinc/06/84/49/135068449.db2.gz VAVWOOAANCOEDW-AWEZNQCLSA-N 1 3 284.407 2.224 10 0 CEAEHO [NH3+][C@@H]1C=C[C@@H](CN2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000092208900 135075828 /nfs/dbraw/zinc/07/58/28/135075828.db2.gz HSCUFMJABQSVQB-UKRRQHHQSA-N 1 3 291.826 2.365 10 0 CEAEHO Cn1cc([C@@H]2CCCN2CCCC2CC[NH2+]CC2)cn1 ZINC000383291584 395184843 /nfs/dbraw/zinc/18/48/43/395184843.db2.gz LFNZOTPBWHHOGS-INIZCTEOSA-N 1 3 276.428 2.337 10 0 CEAEHO CCC(C)(C)C1CCC(NC[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263209106 154035592 /nfs/dbraw/zinc/03/55/92/154035592.db2.gz KBYJOXLVTWTSNU-VXGQWTEUSA-N 1 3 268.445 2.151 10 0 CEAEHO CCC(C)(C)C1CCC([NH2+]C[C@@H]2CNC[C@H]2O)CC1 ZINC000263209106 154035594 /nfs/dbraw/zinc/03/55/94/154035594.db2.gz KBYJOXLVTWTSNU-VXGQWTEUSA-N 1 3 268.445 2.151 10 0 CEAEHO CCCN1CCC([NH2+]C[C@H](C(C)C)N(C)C)CC1 ZINC000020145518 171030812 /nfs/dbraw/zinc/03/08/12/171030812.db2.gz WQTDDWJFOACAMV-OAHLLOKOSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[C@@H](C)C[C@](CC)(CN)[N@@H+]1CCCN(C)CC1 ZINC000020217719 171079647 /nfs/dbraw/zinc/07/96/47/171079647.db2.gz CBYXFOQSWRYYQD-HUUCEWRRSA-N 1 3 255.450 2.168 10 0 CEAEHO CC[C@@H](C)C[C@](CC)(CN)[N@H+]1CCCN(C)CC1 ZINC000020217719 171079651 /nfs/dbraw/zinc/07/96/51/171079651.db2.gz CBYXFOQSWRYYQD-HUUCEWRRSA-N 1 3 255.450 2.168 10 0 CEAEHO CCCN1CCN([C@@H](C[NH3+])c2ccc(SC)cc2)CC1 ZINC000020362599 171161604 /nfs/dbraw/zinc/16/16/04/171161604.db2.gz KDSKRFCOCUSBGB-INIZCTEOSA-N 1 3 293.480 2.436 10 0 CEAEHO CC(C)C[C@H](CN(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000037167002 173001178 /nfs/dbraw/zinc/00/11/78/173001178.db2.gz AGRSAGDYOYJRKT-VIYLOZMYSA-N 1 3 267.461 2.178 10 0 CEAEHO CCOC1CCN(CCCOc2ccc(C[NH3+])cc2)CC1 ZINC000040678463 174374600 /nfs/dbraw/zinc/37/46/00/174374600.db2.gz JDILQSAMGXAFJC-UHFFFAOYSA-N 1 3 292.423 2.415 10 0 CEAEHO CC[C@@H](CC(N)=S)[NH+]1CCC(N2CCCCC2)CC1 ZINC000040694050 174377999 /nfs/dbraw/zinc/37/79/99/174377999.db2.gz PCKUCUHZALAAPX-ZDUSSCGKSA-N 1 3 283.485 2.392 10 0 CEAEHO CC[C@@H](CC(N)=S)N1CCC([NH+]2CCCCC2)CC1 ZINC000040694050 174378000 /nfs/dbraw/zinc/37/80/00/174378000.db2.gz PCKUCUHZALAAPX-ZDUSSCGKSA-N 1 3 283.485 2.392 10 0 CEAEHO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-n2ccnc2)cc1 ZINC000040750309 174394871 /nfs/dbraw/zinc/39/48/71/174394871.db2.gz WBKXMNYIYXDUPE-ZXFUBFMLSA-N 1 3 282.391 2.326 10 0 CEAEHO COc1ccccc1[C@@H](C[NH3+])N(CCN(C)C)CC(C)C ZINC000042744903 174863946 /nfs/dbraw/zinc/86/39/46/174863946.db2.gz CJDBSABSQYVPAC-MRXNPFEDSA-N 1 3 293.455 2.215 10 0 CEAEHO C[C@H]([NH3+])[C@@H](c1ccc(F)cc1)N1CCN(CC2CC2)CC1 ZINC000042915198 174914702 /nfs/dbraw/zinc/91/47/02/174914702.db2.gz UEXGWYOPTWLTTR-GUYCJALGSA-N 1 3 291.414 2.242 10 0 CEAEHO Cc1ccccc1[C@@H]([C@@H](C)[NH3+])N1CCN(CC2CC2)CC1 ZINC000043036480 174951192 /nfs/dbraw/zinc/95/11/92/174951192.db2.gz YTCCCSJLDBDJNH-CRAIPNDOSA-N 1 3 287.451 2.411 10 0 CEAEHO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N(C)C1CCN(C)CC1 ZINC000043363796 175024148 /nfs/dbraw/zinc/02/41/48/175024148.db2.gz SWEWWNCYVCGELL-HOCLYGCPSA-N 1 3 279.428 2.392 10 0 CEAEHO CCCN1CCN([C@@H]2CCc3ccccc3[C@@H]2[NH2+]C)CC1 ZINC000043805404 175107604 /nfs/dbraw/zinc/10/76/04/175107604.db2.gz PHASOLJWIMFPIO-MSOLQXFVSA-N 1 3 287.451 2.290 10 0 CEAEHO CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CCCN(C)CC1 ZINC000043818564 175114097 /nfs/dbraw/zinc/11/40/97/175114097.db2.gz APBRFWDMSNIVBF-ZWKOTPCHSA-N 1 3 287.451 2.290 10 0 CEAEHO C[NH2+][C@H]1CCCCCC[C@H]1N1CCN(C(C)C)CC1 ZINC000043896905 175119867 /nfs/dbraw/zinc/11/98/67/175119867.db2.gz WGXHTUBNZKYTRK-JKSUJKDBSA-N 1 3 267.461 2.323 10 0 CEAEHO CCCC(C[NH3+])(CCC)C(=O)N[C@@H](C)CN1CCCC1 ZINC000044805769 175256568 /nfs/dbraw/zinc/25/65/68/175256568.db2.gz SHRZRDCPARVPTF-AWEZNQCLSA-N 1 3 283.460 2.132 10 0 CEAEHO CC[N@H+](CCC[C@@](C)(NC1CC1)C(N)=O)C1CCCC1 ZINC000045390679 175374846 /nfs/dbraw/zinc/37/48/46/175374846.db2.gz QGXHSPDXNSNMRS-MRXNPFEDSA-N 1 3 281.444 2.027 10 0 CEAEHO CC[N@@H+](CCC[C@@](C)(NC1CC1)C(N)=O)C1CCCC1 ZINC000045390679 175374848 /nfs/dbraw/zinc/37/48/48/175374848.db2.gz QGXHSPDXNSNMRS-MRXNPFEDSA-N 1 3 281.444 2.027 10 0 CEAEHO CC[C@@H]1CCCC[C@]1(CN)[N@H+](C)CCN1CCCC1 ZINC000071162230 176046510 /nfs/dbraw/zinc/04/65/10/176046510.db2.gz FOTZLLXPPYRMDP-HZPDHXFCSA-N 1 3 267.461 2.312 10 0 CEAEHO CC[C@@H]1CCCC[C@]1(CN)[N@@H+](C)CCN1CCCC1 ZINC000071162230 176046513 /nfs/dbraw/zinc/04/65/13/176046513.db2.gz FOTZLLXPPYRMDP-HZPDHXFCSA-N 1 3 267.461 2.312 10 0 CEAEHO CC(C)CN(CCN(C)C)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267930 176101911 /nfs/dbraw/zinc/10/19/11/176101911.db2.gz ASMBCGMOLGBEJQ-UHFFFAOYSA-N 1 3 294.418 2.129 10 0 CEAEHO [NH2+]=C1c2cc(F)ccc2CN1[C@@H]1CN2CCC1CC2 ZINC000071268602 176102102 /nfs/dbraw/zinc/10/21/02/176102102.db2.gz NYLHJROVSFMBKS-CQSZACIVSA-N 1 3 259.328 2.061 10 0 CEAEHO N=C1c2cc(F)ccc2CN1CC[NH+]1CCCCC1 ZINC000071269010 176102997 /nfs/dbraw/zinc/10/29/97/176102997.db2.gz XVCGOBWISGURHC-UHFFFAOYSA-N 1 3 261.344 2.453 10 0 CEAEHO Cc1nccn1CC[N@@H+]1CC2(CCCC2)NC[C@@H]1C1CC1 ZINC000071358694 176137626 /nfs/dbraw/zinc/13/76/26/176137626.db2.gz BPCRPKMEJMBOBG-MRXNPFEDSA-N 1 3 288.439 2.188 10 0 CEAEHO Cc1nccn1CC[N@H+]1CC2(CCCC2)NC[C@@H]1C1CC1 ZINC000071358694 176137628 /nfs/dbraw/zinc/13/76/28/176137628.db2.gz BPCRPKMEJMBOBG-MRXNPFEDSA-N 1 3 288.439 2.188 10 0 CEAEHO Cc1ccc(OCCN2CCCCC2)c(CC[NH3+])c1 ZINC000071411215 176157203 /nfs/dbraw/zinc/15/72/03/176157203.db2.gz OFLCDKZRUMZAFM-UHFFFAOYSA-N 1 3 262.397 2.361 10 0 CEAEHO COc1ccc(OCCN[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000667007653 419512222 /nfs/dbraw/zinc/51/22/22/419512222.db2.gz JIMAWNAPWNKOFV-ZIAGYGMSSA-N 1 3 278.396 2.052 10 0 CEAEHO CO[C@@H]1CC[C@H](N[C@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000261553666 277296457 /nfs/dbraw/zinc/29/64/57/277296457.db2.gz ALDBSGGSDAOQFU-APIJFGDWSA-N 1 3 254.418 2.454 10 0 CEAEHO CC(C)(C)C1CCC(CNC[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263130818 278301249 /nfs/dbraw/zinc/30/12/49/278301249.db2.gz BPMGJUKTUQBSNR-JYVUQVBGSA-N 1 3 268.445 2.009 10 0 CEAEHO CC(C)(C)C1CCC(C[NH2+]C[C@@H]2CNC[C@@H]2O)CC1 ZINC000263130818 278301252 /nfs/dbraw/zinc/30/12/52/278301252.db2.gz BPMGJUKTUQBSNR-JYVUQVBGSA-N 1 3 268.445 2.009 10 0 CEAEHO C[C@H](O)C[C@H]1CCCCN1CCC[NH+]1CCCC1 ZINC000123821358 290148750 /nfs/dbraw/zinc/14/87/50/290148750.db2.gz SMBYAGABOUNUMB-LSDHHAIUSA-N 1 3 254.418 2.098 10 0 CEAEHO C[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000567343980 299054612 /nfs/dbraw/zinc/05/46/12/299054612.db2.gz MPPIYNGPLNFLSP-GRYCIOLGSA-N 1 3 253.415 2.224 10 0 CEAEHO CC(C)[NH2+]CC1(CN(C)CC2CC2)CCOCC1 ZINC000052182152 519719961 /nfs/dbraw/zinc/71/99/61/519719961.db2.gz ODEXIHTZYNNQHC-UHFFFAOYSA-N 1 3 254.418 2.123 10 0 CEAEHO CC(C)CNCc1cn(CC[N@@H+](CC(C)C)C(C)C)nn1 ZINC000052572602 519748102 /nfs/dbraw/zinc/74/81/02/519748102.db2.gz HKGNSNJMCOKSGT-UHFFFAOYSA-N 1 3 295.475 2.390 10 0 CEAEHO CCCC1CC[NH+](CCC[C@@](C)(NCC)C(N)=O)CC1 ZINC000050905787 519900737 /nfs/dbraw/zinc/90/07/37/519900737.db2.gz DXLKNSKKLMCEGO-MRXNPFEDSA-N 1 3 283.460 2.132 10 0 CEAEHO CCCC1CCN([C@]2(CN)CC[N@@H+](C(C)C)C2)CC1 ZINC000050893249 519903282 /nfs/dbraw/zinc/90/32/82/519903282.db2.gz LDPNCCZGLWDUHA-INIZCTEOSA-N 1 3 267.461 2.310 10 0 CEAEHO CCCC1CCN([C@]2(CN)CC[N@H+](C(C)C)C2)CC1 ZINC000050893249 519903288 /nfs/dbraw/zinc/90/32/88/519903288.db2.gz LDPNCCZGLWDUHA-INIZCTEOSA-N 1 3 267.461 2.310 10 0 CEAEHO CCC[NH2+]C[C@H](C(C)C)N1CCN(CC(C)C)CC1 ZINC000055083083 519929389 /nfs/dbraw/zinc/92/93/89/519929389.db2.gz YMNALNFGYQITHG-MRXNPFEDSA-N 1 3 269.477 2.284 10 0 CEAEHO CCCc1nc(N2CCC([NH+](C)C)CC2)sc1CN ZINC000054997448 521531113 /nfs/dbraw/zinc/53/11/13/521531113.db2.gz QNPGJHSORIDCJR-UHFFFAOYSA-N 1 3 282.457 2.085 10 0 CEAEHO CC[C@@H](C)N(CCOC)Cc1cc(C[NH3+])c(C)o1 ZINC000052547303 522092612 /nfs/dbraw/zinc/09/26/12/522092612.db2.gz MIMTXQYDRJOPTJ-LLVKDONJSA-N 1 3 254.374 2.294 10 0 CEAEHO CC(C)(C)[NH2+]CCCCCN1CCN(C2CC2)CC1 ZINC000052371377 518755249 /nfs/dbraw/zinc/75/52/49/518755249.db2.gz UIRDPOXZFWCRCT-UHFFFAOYSA-N 1 3 267.461 2.325 10 0 CEAEHO CC(C)(C)[NH2+]C[C@]1(CN2CCC[C@@H]2CCCO)CCOC1 ZINC000052763315 518762755 /nfs/dbraw/zinc/76/27/55/518762755.db2.gz DUPCWDOCPHMLLL-WBVHZDCISA-N 1 3 298.471 2.018 10 0 CEAEHO CC(C)C[C@H](CN(C)C)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000049560737 519337874 /nfs/dbraw/zinc/33/78/74/519337874.db2.gz OKJFDNNLTIDTRE-OAHLLOKOSA-N 1 3 292.427 2.243 10 0 CEAEHO CC(C)CN1CCN([C@@H](c2ccsc2)[C@H](C)[NH3+])CC1 ZINC000055077321 519727594 /nfs/dbraw/zinc/72/75/94/519727594.db2.gz JYHDYSIWXXGGEG-DZGCQCFKSA-N 1 3 281.469 2.410 10 0 CEAEHO CC(C)CN1CCN([C@H](c2ccccc2F)[C@H](C)[NH3+])CC1 ZINC000055077403 519728054 /nfs/dbraw/zinc/72/80/54/519728054.db2.gz WIFHVSVJEVCZAG-YOEHRIQHSA-N 1 3 293.430 2.488 10 0 CEAEHO CC(C)CN1CCN([C@H]2C[C@@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000055078705 519728334 /nfs/dbraw/zinc/72/83/34/519728334.db2.gz URDBDEHJLFPFOC-ULQDDVLXSA-N 1 3 281.488 2.412 10 0 CEAEHO CC(C)C[NH2+]CC(C)(C)CN1CCC[C@@H]1CCCO ZINC000052763385 519743004 /nfs/dbraw/zinc/74/30/04/519743004.db2.gz JJEXTNUGBKRHDW-OAHLLOKOSA-N 1 3 270.461 2.495 10 0 CEAEHO CC(C)C[NH2+]CCCN(CCN(C)C)CC(C)C ZINC000052503308 519743551 /nfs/dbraw/zinc/74/35/51/519743551.db2.gz PTGZUMRHCFFIBM-UHFFFAOYSA-N 1 3 257.466 2.142 10 0 CEAEHO CC(C)C[NH2+]CCC[C@H](C)N1CCN(C(C)C)CC1 ZINC000052480100 519743539 /nfs/dbraw/zinc/74/35/39/519743539.db2.gz RSMISRDHJDCELM-INIZCTEOSA-N 1 3 269.477 2.427 10 0 CEAEHO CC(C)C[NH2+]C[C@H]1CCCN(C2CCOCC2)C1 ZINC000069311271 519746001 /nfs/dbraw/zinc/74/60/01/519746001.db2.gz GATVMERHEVJXSE-CQSZACIVSA-N 1 3 254.418 2.123 10 0 CEAEHO CC(C)CNCc1cn(CC[N@H+](CC(C)C)C(C)C)nn1 ZINC000052572602 519748100 /nfs/dbraw/zinc/74/81/00/519748100.db2.gz HKGNSNJMCOKSGT-UHFFFAOYSA-N 1 3 295.475 2.390 10 0 CEAEHO CCCN1CCC([NH2+][C@@H](CN(C)C)C(C)C)CC1 ZINC000049195267 519847042 /nfs/dbraw/zinc/84/70/42/519847042.db2.gz WTEPHXYEJKKDJW-HNNXBMFYSA-N 1 3 255.450 2.037 10 0 CEAEHO CCNCC1(C[N@H+](C)C[C@H](C)CC)CCOCC1 ZINC000052181436 519911957 /nfs/dbraw/zinc/91/19/57/519911957.db2.gz ONJNPPQPNFQOGW-CQSZACIVSA-N 1 3 256.434 2.371 10 0 CEAEHO CCNCC1(C[N@@H+](C)C[C@H](C)CC)CCOCC1 ZINC000052181436 519911959 /nfs/dbraw/zinc/91/19/59/519911959.db2.gz ONJNPPQPNFQOGW-CQSZACIVSA-N 1 3 256.434 2.371 10 0 CEAEHO CC[NH2+]CC1(CN(C)C[C@H](C)CC)CCOCC1 ZINC000052181436 519911961 /nfs/dbraw/zinc/91/19/61/519911961.db2.gz ONJNPPQPNFQOGW-CQSZACIVSA-N 1 3 256.434 2.371 10 0 CEAEHO CCC[NH2+]C[C@@H]1CC[C@H](CN(C)CCc2ccncc2)O1 ZINC000052483148 519925563 /nfs/dbraw/zinc/92/55/63/519925563.db2.gz ZIMLLTGVLDHPGN-DLBZAZTESA-N 1 3 291.439 2.103 10 0 CEAEHO CC[NH2+]C[C@H]1CC[C@H](CN(CC)Cc2ccncc2)O1 ZINC000052515070 519979726 /nfs/dbraw/zinc/97/97/26/519979726.db2.gz ZZASOWSJBWCSAO-HZPDHXFCSA-N 1 3 277.412 2.061 10 0 CEAEHO CC[NH2+]Cc1ccc(CN(CCOC)[C@H](C)COC)cc1 ZINC000052572426 519995373 /nfs/dbraw/zinc/99/53/73/519995373.db2.gz SEDBFOAGSPLCSP-OAHLLOKOSA-N 1 3 294.439 2.279 10 0 CEAEHO CC[NH2+]Cc1ccc(CN(C)[C@@H](C)COC)cc1 ZINC000052511847 519995397 /nfs/dbraw/zinc/99/53/97/519995397.db2.gz KBSWDXKOUGAPAV-ZDUSSCGKSA-N 1 3 250.386 2.263 10 0 CEAEHO CC[NH2+]Cc1cccc(CN(C)[C@H](C)COC)c1 ZINC000052511405 520003262 /nfs/dbraw/zinc/00/32/62/520003262.db2.gz DTFUQKRDHRUPIB-CYBMUJFWSA-N 1 3 250.386 2.263 10 0 CEAEHO CCC[NH2+][C@@H](CN1CCN(C(C)(C)C)CC1)C1CC1 ZINC000069074201 520009778 /nfs/dbraw/zinc/00/97/78/520009778.db2.gz WCORFJXDLDTGSC-HNNXBMFYSA-N 1 3 267.461 2.181 10 0 CEAEHO CCC[NH2+][C@H](C)CCN1CCN([C@@H](C)CC)CC1 ZINC000055066137 520061401 /nfs/dbraw/zinc/06/14/01/520061401.db2.gz ALKONKZKALZNQY-CABCVRRESA-N 1 3 255.450 2.181 10 0 CEAEHO CCC[NH2+][C@H](CC)CN1CCN([C@H](C)CC)CC1 ZINC000055065064 520067292 /nfs/dbraw/zinc/06/72/92/520067292.db2.gz ATKIASZSESJOOI-HUUCEWRRSA-N 1 3 255.450 2.181 10 0 CEAEHO CCC[NH2+][C@H]1CCC[C@H]1N1CCN([C@@H](C)CC)CC1 ZINC000055066070 520094465 /nfs/dbraw/zinc/09/44/65/520094465.db2.gz AFVGASNFJIYJMV-HRCADAONSA-N 1 3 267.461 2.323 10 0 CEAEHO CCN[C@H](CC[N@@H+]1CC[C@H](O)C1)c1ccccc1C ZINC000061711878 520189443 /nfs/dbraw/zinc/18/94/43/520189443.db2.gz BQGAYBILRLYXRO-GOEBONIOSA-N 1 3 262.397 2.102 10 0 CEAEHO CCN[C@H](CC[N@H+]1CC[C@H](O)C1)c1ccccc1C ZINC000061711878 520189451 /nfs/dbraw/zinc/18/94/51/520189451.db2.gz BQGAYBILRLYXRO-GOEBONIOSA-N 1 3 262.397 2.102 10 0 CEAEHO CC[NH2+][C@H]1CCCc2nc(N3CCCN(C)CC3)sc21 ZINC000054899118 520216088 /nfs/dbraw/zinc/21/60/88/520216088.db2.gz DNPXSBPBTRETPK-LBPRGKRZSA-N 1 3 294.468 2.272 10 0 CEAEHO CCCCC[C@H](C[NH3+])N1CCN([C@H](C)CC)CC1 ZINC000055064799 520311875 /nfs/dbraw/zinc/31/18/75/520311875.db2.gz USVWQZGPLUFCAK-HUUCEWRRSA-N 1 3 255.450 2.310 10 0 CEAEHO CCCOc1ccc([C@@H](C[NH3+])N2CCCN(C)CC2)cc1 ZINC000052919928 520417959 /nfs/dbraw/zinc/41/79/59/520417959.db2.gz CDGFPXSQRAUPSI-QGZVFWFLSA-N 1 3 291.439 2.113 10 0 CEAEHO CCC[C@@](C)(CNC)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052763309 520908887 /nfs/dbraw/zinc/90/88/87/520908887.db2.gz MRVUCFNKLCWGLA-CABCVRRESA-N 1 3 256.434 2.249 10 0 CEAEHO CCC[C@@](C)(CNC)C[N@H+]1CCC[C@@H]1CCCO ZINC000052763309 520908894 /nfs/dbraw/zinc/90/88/94/520908894.db2.gz MRVUCFNKLCWGLA-CABCVRRESA-N 1 3 256.434 2.249 10 0 CEAEHO CCC[C@H](C)[NH2+]C[C@@H](C)N1CCN(CC(C)C)CC1 ZINC000055075948 521060126 /nfs/dbraw/zinc/06/01/26/521060126.db2.gz WIRWXPSIZIEATE-JKSUJKDBSA-N 1 3 269.477 2.427 10 0 CEAEHO CCCC[C@](CC)(CN)[N@@H+](C)[C@@H]1CCCN(C)C1 ZINC000069380857 521253184 /nfs/dbraw/zinc/25/31/84/521253184.db2.gz RLADSAXDBBFTQW-HUUCEWRRSA-N 1 3 255.450 2.310 10 0 CEAEHO CCCC[C@](CC)(CN)[N@H+](C)[C@@H]1CCCN(C)C1 ZINC000069380857 521253178 /nfs/dbraw/zinc/25/31/78/521253178.db2.gz RLADSAXDBBFTQW-HUUCEWRRSA-N 1 3 255.450 2.310 10 0 CEAEHO CCCN(CCN(C)C)C[C@@](C)([NH3+])c1ccccc1 ZINC000052883651 521656511 /nfs/dbraw/zinc/65/65/11/521656511.db2.gz BFRHNCGZPGSYSR-MRXNPFEDSA-N 1 3 263.429 2.134 10 0 CEAEHO C[NH2+]CCCCCN1CCN(c2ccccc2)CC1 ZINC000052417338 521991525 /nfs/dbraw/zinc/99/15/25/521991525.db2.gz URCJKORWHSFRNH-UHFFFAOYSA-N 1 3 261.413 2.198 10 0 CEAEHO C[NH2+]C[C@H](c1ccccc1)N1CCN(CC(C)C)CC1 ZINC000055075690 522078711 /nfs/dbraw/zinc/07/87/11/522078711.db2.gz WUHADERRWURAOB-QGZVFWFLSA-N 1 3 275.440 2.221 10 0 CEAEHO C[NH2+]Cc1c2ccccc2oc1CN1CCCN(C)CC1 ZINC000052424321 522101648 /nfs/dbraw/zinc/10/16/48/522101648.db2.gz YQWCGWUGHIYJAS-UHFFFAOYSA-N 1 3 287.407 2.290 10 0 CEAEHO CC[C@@H](C)N1CCN(CC[C@H]([NH3+])C(C)(C)C)CC1 ZINC000055072424 522120237 /nfs/dbraw/zinc/12/02/37/522120237.db2.gz YWOVBCBHZKTBKE-KGLIPLIRSA-N 1 3 255.450 2.166 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@@](C)(CC)C[NH2+]C)CC1 ZINC000055071823 522123742 /nfs/dbraw/zinc/12/37/42/522123742.db2.gz JQEBBDYRKQWXAV-CABCVRRESA-N 1 3 255.450 2.038 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@H]([NH2+]C)c2ccccc2)CC1 ZINC000055065324 522123849 /nfs/dbraw/zinc/12/38/49/522123849.db2.gz FKSPYTBBGXVPAS-WBVHZDCISA-N 1 3 275.440 2.363 10 0 CEAEHO CC[C@H](C[NH2+]C(C)(C)C)N1CCC[C@@H]1CN(C)C ZINC000061654706 522188920 /nfs/dbraw/zinc/18/89/20/522188920.db2.gz NQWXBMXYFYZKJO-ZIAGYGMSSA-N 1 3 255.450 2.179 10 0 CEAEHO CN(Cc1ccc(Cl)cc1)C[C@H]1CC[C@H](C[NH3+])O1 ZINC000052346360 523227171 /nfs/dbraw/zinc/22/71/71/523227171.db2.gz QBEVSVZHWVIKQR-ZIAGYGMSSA-N 1 3 268.788 2.278 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000055072510 523955457 /nfs/dbraw/zinc/95/54/57/523955457.db2.gz YSQOFTTZKANLOX-XHSDSOJGSA-N 1 3 267.461 2.310 10 0 CEAEHO CCc1ccc([C@@H](C[NH3+])N2CCN([C@H](C)CC)CC2)o1 ZINC000055064343 524028810 /nfs/dbraw/zinc/02/88/10/524028810.db2.gz YFAGYFKYJUKQLV-UKRRQHHQSA-N 1 3 279.428 2.258 10 0 CEAEHO Cc1cc(CN2CCC[C@H]2C[NH+](C)C)oc1CNC1CC1 ZINC000061654760 524689088 /nfs/dbraw/zinc/68/90/88/524689088.db2.gz SMOYBDPSIANXLH-HNNXBMFYSA-N 1 3 291.439 2.366 10 0 CEAEHO C[C@@H]([NH3+])c1ccc(F)cc1OCCN1CCCC1 ZINC000062745339 525026372 /nfs/dbraw/zinc/02/63/72/525026372.db2.gz ZFTGFDMFTOBQSP-LLVKDONJSA-N 1 3 252.333 2.320 10 0 CEAEHO C[C@@H]1C[NH2+]C[C@@H](C)CN(C[C@@H]2Cc3ccccc3O2)C1 ZINC000051087222 525095930 /nfs/dbraw/zinc/09/59/30/525095930.db2.gz XYPVQOAPDNITGI-FMKPAKJESA-N 1 3 274.408 2.168 10 0 CEAEHO C[C@H]([C@@H](N)c1ccccc1)[N@H+](C)C1CCN(C)CC1 ZINC000052684817 526020281 /nfs/dbraw/zinc/02/02/81/526020281.db2.gz RHVNETGXFISIEE-CZUORRHYSA-N 1 3 261.413 2.101 10 0 CEAEHO C[C@H]([C@@H](N)c1ccccc1)[N@@H+](C)C1CCN(C)CC1 ZINC000052684817 526020289 /nfs/dbraw/zinc/02/02/89/526020289.db2.gz RHVNETGXFISIEE-CZUORRHYSA-N 1 3 261.413 2.101 10 0 CEAEHO Cc1oc(CN)cc1CN(CC[NH+](C)C)CC(C)C ZINC000052503347 526768423 /nfs/dbraw/zinc/76/84/23/526768423.db2.gz YWJRVQHRQRMEKU-UHFFFAOYSA-N 1 3 267.417 2.066 10 0 CEAEHO Cc1ncc(CNC[C@]2([NH+](C)C)CCC[C@H](C)C2)[nH]1 ZINC000054822434 526888864 /nfs/dbraw/zinc/88/88/64/526888864.db2.gz AAMVFKHRCWEBCH-WFASDCNBSA-N 1 3 264.417 2.318 10 0 CEAEHO NCCC[N@H+](CCOCC(F)(F)F)C1CCCC1 ZINC000049310708 527178933 /nfs/dbraw/zinc/17/89/33/527178933.db2.gz AKFUQGDFVHEIMG-UHFFFAOYSA-N 1 3 268.323 2.159 10 0 CEAEHO NCCC[N@@H+](CCOCC(F)(F)F)C1CCCC1 ZINC000049310708 527178938 /nfs/dbraw/zinc/17/89/38/527178938.db2.gz AKFUQGDFVHEIMG-UHFFFAOYSA-N 1 3 268.323 2.159 10 0 CEAEHO [NH3+]CCCN(CCOCC(F)(F)F)C1CCCC1 ZINC000049310708 527178942 /nfs/dbraw/zinc/17/89/42/527178942.db2.gz AKFUQGDFVHEIMG-UHFFFAOYSA-N 1 3 268.323 2.159 10 0 CEAEHO NCc1ccccc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062976934 527260175 /nfs/dbraw/zinc/26/01/75/527260175.db2.gz MZRBLKJUPGENBK-OAHLLOKOSA-N 1 3 259.397 2.210 10 0 CEAEHO Cc1nccn1CC[N@H+]1C[C@@H](C(C)C)NCC12CCCC2 ZINC000068704654 527425952 /nfs/dbraw/zinc/42/59/52/527425952.db2.gz VPVJEPQESRRMAY-INIZCTEOSA-N 1 3 290.455 2.434 10 0 CEAEHO Cc1nccn1CC[N@@H+]1C[C@@H](C(C)C)NCC12CCCC2 ZINC000068704654 527425958 /nfs/dbraw/zinc/42/59/58/527425958.db2.gz VPVJEPQESRRMAY-INIZCTEOSA-N 1 3 290.455 2.434 10 0 CEAEHO Cc1nccn1CC[N@H+]1C[C@H](C(C)C)NCC12CCCC2 ZINC000068704652 527426768 /nfs/dbraw/zinc/42/67/68/527426768.db2.gz VPVJEPQESRRMAY-MRXNPFEDSA-N 1 3 290.455 2.434 10 0 CEAEHO Cc1nccn1CC[N@@H+]1C[C@H](C(C)C)NCC12CCCC2 ZINC000068704652 527426774 /nfs/dbraw/zinc/42/67/74/527426774.db2.gz VPVJEPQESRRMAY-MRXNPFEDSA-N 1 3 290.455 2.434 10 0 CEAEHO CCN1CCC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000040502606 361995887 /nfs/dbraw/zinc/99/58/87/361995887.db2.gz IMXXKKMAMHGHFX-MRXNPFEDSA-N 1 3 288.439 2.124 10 0 CEAEHO CC[C@H]1C[N@H+](CCn2ccnc2C)[C@@](C)(CC)CN1 ZINC000085474483 179078598 /nfs/dbraw/zinc/07/85/98/179078598.db2.gz PZAMFHXWJALXEM-GJZGRUSLSA-N 1 3 264.417 2.044 10 0 CEAEHO CC[C@H]1C[N@@H+](CCn2ccnc2C)[C@@](C)(CC)CN1 ZINC000085474483 179078602 /nfs/dbraw/zinc/07/86/02/179078602.db2.gz PZAMFHXWJALXEM-GJZGRUSLSA-N 1 3 264.417 2.044 10 0 CEAEHO C[C@@H](C(=O)Nc1ccccc1C[NH3+])N1[C@H](C)CC[C@@H]1C ZINC000085810298 179177360 /nfs/dbraw/zinc/17/73/60/179177360.db2.gz NOWVNCFNVKVNKQ-XQQFMLRXSA-N 1 3 275.396 2.345 10 0 CEAEHO CC(C)[C@@H]1C[N@H+](C[C@@H]2CCCN(C)C2)[C@@H](C(C)C)CN1 ZINC000086173728 179244763 /nfs/dbraw/zinc/24/47/63/179244763.db2.gz AFLHUGRBBIJFPQ-IXDOHACOSA-N 1 3 281.488 2.283 10 0 CEAEHO CC(C)[C@@H]1C[N@@H+](C[C@@H]2CCCN(C)C2)[C@@H](C(C)C)CN1 ZINC000086173728 179244764 /nfs/dbraw/zinc/24/47/64/179244764.db2.gz AFLHUGRBBIJFPQ-IXDOHACOSA-N 1 3 281.488 2.283 10 0 CEAEHO CC[C@@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223102 179251194 /nfs/dbraw/zinc/25/11/94/179251194.db2.gz OKKXXQPCBDAVJH-RBSFLKMASA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@@H]1CN[C@@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223102 179251196 /nfs/dbraw/zinc/25/11/96/179251196.db2.gz OKKXXQPCBDAVJH-RBSFLKMASA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@@]1(C)C[N@H+](C[C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086259210 179257669 /nfs/dbraw/zinc/25/76/69/179257669.db2.gz BBDKCWVJMMOAJQ-IKGGRYGDSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@@]1(C)C[N@@H+](C[C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086259210 179257671 /nfs/dbraw/zinc/25/76/71/179257671.db2.gz BBDKCWVJMMOAJQ-IKGGRYGDSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@@H+]([C@@H](C)[C@@H]2CCCO2)CCCN1 ZINC000086287085 179264364 /nfs/dbraw/zinc/26/43/64/179264364.db2.gz GFMRCZKLCPPUPS-AJNGGQMLSA-N 1 3 254.418 2.264 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@H+]([C@@H](C)[C@@H]2CCCO2)CCCN1 ZINC000086287085 179264365 /nfs/dbraw/zinc/26/43/65/179264365.db2.gz GFMRCZKLCPPUPS-AJNGGQMLSA-N 1 3 254.418 2.264 10 0 CEAEHO CC(C)C[C@@H]1C[N@@H+]([C@@H](C)[C@@H]2CCCO2)CCCN1 ZINC000086287088 179264836 /nfs/dbraw/zinc/26/48/36/179264836.db2.gz YFWWJWLWBDMBJF-ZNMIVQPWSA-N 1 3 254.418 2.264 10 0 CEAEHO CC(C)C[C@@H]1C[N@H+]([C@@H](C)[C@@H]2CCCO2)CCCN1 ZINC000086287088 179264838 /nfs/dbraw/zinc/26/48/38/179264838.db2.gz YFWWJWLWBDMBJF-ZNMIVQPWSA-N 1 3 254.418 2.264 10 0 CEAEHO CC[C@@]1(C)C[N@H+](CC2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086258995 179256545 /nfs/dbraw/zinc/25/65/45/179256545.db2.gz LPDYRJAWIIYSAG-IRXDYDNUSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@@]1(C)C[N@@H+](CC2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086258995 179256548 /nfs/dbraw/zinc/25/65/48/179256548.db2.gz LPDYRJAWIIYSAG-IRXDYDNUSA-N 1 3 281.488 2.427 10 0 CEAEHO C[C@H]1CNC2(CCCCC2)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259228 179257590 /nfs/dbraw/zinc/25/75/90/179257590.db2.gz ZPMGSGHRVSPUFL-JKSUJKDBSA-N 1 3 279.472 2.325 10 0 CEAEHO C[C@H]1CNC2(CCCCC2)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259228 179257593 /nfs/dbraw/zinc/25/75/93/179257593.db2.gz ZPMGSGHRVSPUFL-JKSUJKDBSA-N 1 3 279.472 2.325 10 0 CEAEHO CN1CCC(C[N@@H+]2CCCN[C@@H](c3ccccc3)C2)CC1 ZINC000086291474 179266942 /nfs/dbraw/zinc/26/69/42/179266942.db2.gz DLNQFVHYSHCBRC-GOSISDBHSA-N 1 3 287.451 2.365 10 0 CEAEHO CN1CCC(C[N@H+]2CCCN[C@@H](c3ccccc3)C2)CC1 ZINC000086291474 179266945 /nfs/dbraw/zinc/26/69/45/179266945.db2.gz DLNQFVHYSHCBRC-GOSISDBHSA-N 1 3 287.451 2.365 10 0 CEAEHO [NH3+][C@H]1CC[C@@H](NCc2ccc(Br)cc2)C1 ZINC000086397611 179285034 /nfs/dbraw/zinc/28/50/34/179285034.db2.gz OCYGAOSEJBBAER-NWDGAFQWSA-N 1 3 269.186 2.419 10 0 CEAEHO CCN1CCC[C@H]([NH2+]CCCOC[C@@H]2CCCO2)CC1 ZINC000086836702 179351029 /nfs/dbraw/zinc/35/10/29/179351029.db2.gz GGWIIWWGSYUUET-HOTGVXAUSA-N 1 3 284.444 2.036 10 0 CEAEHO CCCN1CCC[C@@H]([NH2+][C@@H](C)Cn2cccn2)CC1 ZINC000086840484 179353652 /nfs/dbraw/zinc/35/36/52/179353652.db2.gz UNZPMYASGDISJK-LSDHHAIUSA-N 1 3 264.417 2.126 10 0 CEAEHO CCC[N@@H+]1CCC[C@@H](N[C@@H](C)Cn2cccn2)CC1 ZINC000086840484 179353654 /nfs/dbraw/zinc/35/36/54/179353654.db2.gz UNZPMYASGDISJK-LSDHHAIUSA-N 1 3 264.417 2.126 10 0 CEAEHO CCC[N@H+]1CCC[C@@H](N[C@@H](C)Cn2cccn2)CC1 ZINC000086840484 179353655 /nfs/dbraw/zinc/35/36/55/179353655.db2.gz UNZPMYASGDISJK-LSDHHAIUSA-N 1 3 264.417 2.126 10 0 CEAEHO CC[N@@H+]1CCC[C@](NC2CCCCCC2)(C(N)=O)CC1 ZINC000086849654 179358496 /nfs/dbraw/zinc/35/84/96/179358496.db2.gz ZIGBMEURGPHNBJ-MRXNPFEDSA-N 1 3 281.444 2.029 10 0 CEAEHO CC[N@H+]1CCC[C@](NC2CCCCCC2)(C(N)=O)CC1 ZINC000086849654 179358498 /nfs/dbraw/zinc/35/84/98/179358498.db2.gz ZIGBMEURGPHNBJ-MRXNPFEDSA-N 1 3 281.444 2.029 10 0 CEAEHO C1C[NH2+][C@H]([C@@H]2CCCN([C@@H]3CCCOCC3)C2)C1 ZINC000086876800 179365494 /nfs/dbraw/zinc/36/54/94/179365494.db2.gz RZEWNOUJWJJPTC-KFWWJZLASA-N 1 3 252.402 2.020 10 0 CEAEHO CC(C)N1CCN([C@@]2(C[NH3+])CCC[C@H](C)CC2)CC1 ZINC000086890709 179366229 /nfs/dbraw/zinc/36/62/29/179366229.db2.gz XNUVWRVDFYMQAB-HOTGVXAUSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@@H]1CCC[C@](CN)([N@@H+]2CCCN(C)CC2)CC1 ZINC000086910563 179366862 /nfs/dbraw/zinc/36/68/62/179366862.db2.gz UFVSHQNKMRSUEL-CVEARBPZSA-N 1 3 267.461 2.312 10 0 CEAEHO CC[C@@H]1CCC[C@](CN)([N@H+]2CCCN(C)CC2)CC1 ZINC000086910563 179366865 /nfs/dbraw/zinc/36/68/65/179366865.db2.gz UFVSHQNKMRSUEL-CVEARBPZSA-N 1 3 267.461 2.312 10 0 CEAEHO CCC(O)(CC)C[NH2+][C@H]1CCCN(C(C)C)CC1 ZINC000087015076 179380189 /nfs/dbraw/zinc/38/01/89/179380189.db2.gz HLIXJTHETJOICW-AWEZNQCLSA-N 1 3 256.434 2.390 10 0 CEAEHO CCC(O)(CC)CN[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000087015076 179380191 /nfs/dbraw/zinc/38/01/91/179380191.db2.gz HLIXJTHETJOICW-AWEZNQCLSA-N 1 3 256.434 2.390 10 0 CEAEHO CCC(O)(CC)CN[C@H]1CCC[N@H+](C(C)C)CC1 ZINC000087015076 179380193 /nfs/dbraw/zinc/38/01/93/179380193.db2.gz HLIXJTHETJOICW-AWEZNQCLSA-N 1 3 256.434 2.390 10 0 CEAEHO CCCN(CCN(C)C)[C@@H](C[NH3+])c1ccc(OC)c(F)c1 ZINC000086992004 179375546 /nfs/dbraw/zinc/37/55/46/179375546.db2.gz NBGJPGWWZBAGSY-HNNXBMFYSA-N 1 3 297.418 2.108 10 0 CEAEHO C[NH2+]C1(CCN[C@H]2CCC[C@H]2OC)CCCCC1 ZINC000087578559 179450021 /nfs/dbraw/zinc/45/00/21/179450021.db2.gz DILGEUDXNWQRFP-UONOGXRCSA-N 1 3 254.418 2.456 10 0 CEAEHO C[C@H](N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400342605 233176798 /nfs/dbraw/zinc/17/67/98/233176798.db2.gz JDXFSBWLHGIFLG-RYQLBKOJSA-N 1 3 287.451 2.239 10 0 CEAEHO CCCN[C@H]1COC[C@@H]1C[NH+]1CCCCCCC1 ZINC000090566081 180005202 /nfs/dbraw/zinc/00/52/02/180005202.db2.gz NTPVGRFCZRLWAX-GJZGRUSLSA-N 1 3 254.418 2.267 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[NH2+]CC(C1CC1)C1CC1 ZINC000090567259 180006710 /nfs/dbraw/zinc/00/67/10/180006710.db2.gz SJYIHHKVLPGNBV-GDBMZVCRSA-N 1 3 266.429 2.027 10 0 CEAEHO CC(C)N(Cc1ccccc1)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606318 180011506 /nfs/dbraw/zinc/01/15/06/180011506.db2.gz NKRYCWAGBOULFQ-JKSUJKDBSA-N 1 3 262.397 2.261 10 0 CEAEHO C[C@H](C(=O)N1CCCCCC1)N(C)CCC1CC[NH2+]CC1 ZINC000090694209 180026264 /nfs/dbraw/zinc/02/62/64/180026264.db2.gz SAPQWOCOVGVSBJ-OAHLLOKOSA-N 1 3 295.471 2.099 10 0 CEAEHO [NH3+][C@H](CCNCCc1cscn1)c1ccccc1 ZINC000104445026 186005422 /nfs/dbraw/zinc/00/54/22/186005422.db2.gz AQHQMFVDKGEYGJ-CQSZACIVSA-N 1 3 261.394 2.365 10 0 CEAEHO CC[N@H+](C[C@H]1Cc2cc(F)ccc2O1)C1CCNCC1 ZINC000090894266 180056324 /nfs/dbraw/zinc/05/63/24/180056324.db2.gz ACQHMYQYXLZFFZ-OAHLLOKOSA-N 1 3 278.371 2.203 10 0 CEAEHO CC[N@@H+](C[C@H]1Cc2cc(F)ccc2O1)C1CCNCC1 ZINC000090894266 180056325 /nfs/dbraw/zinc/05/63/25/180056325.db2.gz ACQHMYQYXLZFFZ-OAHLLOKOSA-N 1 3 278.371 2.203 10 0 CEAEHO CC[N@H+](C[C@@H]1Cc2cc(C)ccc2O1)C1CCNCC1 ZINC000090900039 180058791 /nfs/dbraw/zinc/05/87/91/180058791.db2.gz SBEHAPYMBZNSSL-INIZCTEOSA-N 1 3 274.408 2.372 10 0 CEAEHO CC[N@@H+](C[C@@H]1Cc2cc(C)ccc2O1)C1CCNCC1 ZINC000090900039 180058794 /nfs/dbraw/zinc/05/87/94/180058794.db2.gz SBEHAPYMBZNSSL-INIZCTEOSA-N 1 3 274.408 2.372 10 0 CEAEHO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090900385 180058824 /nfs/dbraw/zinc/05/88/24/180058824.db2.gz KDCNIAFZFINWMM-YYIAUSFCSA-N 1 3 286.419 2.228 10 0 CEAEHO CC(C)C[NH2+]CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090907812 180061949 /nfs/dbraw/zinc/06/19/49/180061949.db2.gz BAGHYOSXSXIFOM-SOUVJXGZSA-N 1 3 254.418 2.264 10 0 CEAEHO CC(C)N1CCO[C@@H](Cn2cc(C[NH3+])c3ccccc32)C1 ZINC000090994992 180082708 /nfs/dbraw/zinc/08/27/08/180082708.db2.gz GECZJQQSYGLDQJ-OAHLLOKOSA-N 1 3 287.407 2.209 10 0 CEAEHO C(C[N@@H+]1CCC[C@H]2CCCC[C@H]21)[C@@H]1CNCCO1 ZINC000091313709 180132512 /nfs/dbraw/zinc/13/25/12/180132512.db2.gz UVOLOQKWPMZGDW-RBSFLKMASA-N 1 3 252.402 2.020 10 0 CEAEHO C(C[N@H+]1CCC[C@H]2CCCC[C@H]21)[C@@H]1CNCCO1 ZINC000091313709 180132515 /nfs/dbraw/zinc/13/25/15/180132515.db2.gz UVOLOQKWPMZGDW-RBSFLKMASA-N 1 3 252.402 2.020 10 0 CEAEHO C[C@H]([NH3+])c1ccc(NC(=O)N2CCC[C@@H](N(C)C)C2)cc1 ZINC000091450418 180158018 /nfs/dbraw/zinc/15/80/18/180158018.db2.gz ZDRHNSHCQJHHAO-SWLSCSKDSA-N 1 3 290.411 2.264 10 0 CEAEHO CCC[NH2+]C[C@](C)(CCC)CN(C)CC1CC(O)C1 ZINC000091498658 180173787 /nfs/dbraw/zinc/17/37/87/180173787.db2.gz VOPYQZOAAOZDDB-GPANFISMSA-N 1 3 270.461 2.495 10 0 CEAEHO CC[NH2+][C@H]1CCC(C)(C)C[C@@H]1CN(C)CC1CC(O)C1 ZINC000091498834 180174116 /nfs/dbraw/zinc/17/41/16/180174116.db2.gz CGNFCXIMUYEBBZ-KNIAUWFNSA-N 1 3 282.472 2.494 10 0 CEAEHO CC[NH2+][C@H]1CCC(C)(C)C[C@H]1CN(C)CC1CC(O)C1 ZINC000091498836 180174128 /nfs/dbraw/zinc/17/41/28/180174128.db2.gz CGNFCXIMUYEBBZ-GRAKBVBRSA-N 1 3 282.472 2.494 10 0 CEAEHO CCCC(CN)(CCC)[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091394665 180145997 /nfs/dbraw/zinc/14/59/97/180145997.db2.gz UBGBHIWWSUFYEQ-AWEZNQCLSA-N 1 3 255.450 2.310 10 0 CEAEHO CCCC(CN)(CCC)[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091394665 180145999 /nfs/dbraw/zinc/14/59/99/180145999.db2.gz UBGBHIWWSUFYEQ-AWEZNQCLSA-N 1 3 255.450 2.310 10 0 CEAEHO CC[NH2+][C@@H](C)C(C)(C)CN1CCC[C@@H]1CCCO ZINC000091404605 180147512 /nfs/dbraw/zinc/14/75/12/180147512.db2.gz QHAMLCMGLLNKFM-UONOGXRCSA-N 1 3 256.434 2.248 10 0 CEAEHO CCN[C@@H](C)C(C)(C)C[N@@H+]1CCC[C@@H]1CCCO ZINC000091404605 180147514 /nfs/dbraw/zinc/14/75/14/180147514.db2.gz QHAMLCMGLLNKFM-UONOGXRCSA-N 1 3 256.434 2.248 10 0 CEAEHO CCN[C@@H](C)C(C)(C)C[N@H+]1CCC[C@@H]1CCCO ZINC000091404605 180147515 /nfs/dbraw/zinc/14/75/15/180147515.db2.gz QHAMLCMGLLNKFM-UONOGXRCSA-N 1 3 256.434 2.248 10 0 CEAEHO CC[C@@](C)([C@H](Cc1ccccn1)NC)[NH+]1CCCC1 ZINC000091606060 180203811 /nfs/dbraw/zinc/20/38/11/180203811.db2.gz LXNADALMEJNUMT-HOTGVXAUSA-N 1 3 261.413 2.477 10 0 CEAEHO CCC(CC)([C@@H]([NH2+]C)[C@@H]1CCOC1)N1CCCC1 ZINC000091635071 180211651 /nfs/dbraw/zinc/21/16/51/180211651.db2.gz ZJPDSAWEYIUWRM-KGLIPLIRSA-N 1 3 254.418 2.266 10 0 CEAEHO CCC(CC)([C@@H](N)Cc1cnccc1N)[NH+]1CCCC1 ZINC000091634759 180211684 /nfs/dbraw/zinc/21/16/84/180211684.db2.gz JGPRPMJRPNZZFH-HNNXBMFYSA-N 1 3 276.428 2.188 10 0 CEAEHO CCc1cc(C[C@H]([NH3+])C2(N3CCCC3)CCCC2)n(C)n1 ZINC000091640676 180213439 /nfs/dbraw/zinc/21/34/39/180213439.db2.gz ZJCOBOSIMGTKMJ-INIZCTEOSA-N 1 3 290.455 2.261 10 0 CEAEHO CC[NH+](CC)CC[C@@H](Cc1nn(C)c2ccccc12)NC ZINC000091716052 180231976 /nfs/dbraw/zinc/23/19/76/180231976.db2.gz AGPMETQBHONQIJ-AWEZNQCLSA-N 1 3 288.439 2.436 10 0 CEAEHO CCN(CC)CC[C@@H](Cc1nn(C)c2ccccc12)[NH2+]C ZINC000091716052 180231979 /nfs/dbraw/zinc/23/19/79/180231979.db2.gz AGPMETQBHONQIJ-AWEZNQCLSA-N 1 3 288.439 2.436 10 0 CEAEHO CCC[NH2+]C1CCC(N(C)Cc2cc(C)nn2C)CC1 ZINC000091870199 180277460 /nfs/dbraw/zinc/27/74/60/180277460.db2.gz UTNBCBHNRSCSOW-UHFFFAOYSA-N 1 3 278.444 2.471 10 0 CEAEHO CCC[NH2+]Cc1cnc(N2CC[C@H]3CC[C@@H](C2)N3C)s1 ZINC000092004694 180305828 /nfs/dbraw/zinc/30/58/28/180305828.db2.gz ORKBPGDYOYATOQ-OLZOCXBDSA-N 1 3 294.468 2.316 10 0 CEAEHO C[C@H]1C[N@H+](CC2(CNC3CC3)CCOCC2)C[C@H]1C ZINC000092088348 180321155 /nfs/dbraw/zinc/32/11/55/180321155.db2.gz VYXXIAPWQPJECQ-OKILXGFUSA-N 1 3 266.429 2.123 10 0 CEAEHO C[C@H]1C[N@@H+](CC2(CNC3CC3)CCOCC2)C[C@H]1C ZINC000092088348 180321156 /nfs/dbraw/zinc/32/11/56/180321156.db2.gz VYXXIAPWQPJECQ-OKILXGFUSA-N 1 3 266.429 2.123 10 0 CEAEHO CC[NH+]1CCC(CNC2=N[C@@H](C(C)C)CS2)CC1 ZINC000092402483 180377516 /nfs/dbraw/zinc/37/75/16/180377516.db2.gz VBEWIWCZCQUUSI-CYBMUJFWSA-N 1 3 269.458 2.435 10 0 CEAEHO CNc1cc[nH+]c(CN2CCN(C3CCCC3)CC2)c1 ZINC000092418988 180382320 /nfs/dbraw/zinc/38/23/20/180382320.db2.gz XUHLZGHPXYPDLY-UHFFFAOYSA-N 1 3 274.412 2.184 10 0 CEAEHO CC[C@@H]1CN([C@@H](C[NH3+])c2cccc(Cl)c2)CCN1C ZINC000107899640 186196168 /nfs/dbraw/zinc/19/61/68/186196168.db2.gz RLCDJJIBZCCTIX-CABCVRRESA-N 1 3 281.831 2.366 10 0 CEAEHO CC[C@H]1CN([C@@H](C[NH3+])c2cccc(Cl)c2)CCN1C ZINC000107899643 186196441 /nfs/dbraw/zinc/19/64/41/186196441.db2.gz RLCDJJIBZCCTIX-GJZGRUSLSA-N 1 3 281.831 2.366 10 0 CEAEHO CCC[C@@H](Cc1nc(CCN(CC)CC)no1)[NH2+]CC ZINC000109496159 186256493 /nfs/dbraw/zinc/25/64/93/186256493.db2.gz BPTZCTPHNWBEDX-ZDUSSCGKSA-N 1 3 282.432 2.275 10 0 CEAEHO CN(c1cc(CN)nc2ccccc21)C1CC[NH+](C)CC1 ZINC000109587509 186264065 /nfs/dbraw/zinc/26/40/65/186264065.db2.gz HNINFDRRDKQKMN-UHFFFAOYSA-N 1 3 284.407 2.224 10 0 CEAEHO CC[N@@H+]1CC[C@@H](Cn2c(N)nc3cc(F)c(OC)cc32)C1 ZINC000110629659 186307691 /nfs/dbraw/zinc/30/76/91/186307691.db2.gz SYDFNHBPXXBVCX-SNVBAGLBSA-N 1 3 292.358 2.108 10 0 CEAEHO CC[N@H+]1CC[C@@H](Cn2c(N)nc3cc(F)c(OC)cc32)C1 ZINC000110629659 186307693 /nfs/dbraw/zinc/30/76/93/186307693.db2.gz SYDFNHBPXXBVCX-SNVBAGLBSA-N 1 3 292.358 2.108 10 0 CEAEHO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CCN(C)C(C)(C)C1 ZINC000110716912 186315601 /nfs/dbraw/zinc/31/56/01/186315601.db2.gz WWRUKEHXXASRDA-ILXRZTDVSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[NH2+][C@H]1c2ccccc2C[C@@H]1N1CCN(C)C(C)(C)C1 ZINC000110716615 186316016 /nfs/dbraw/zinc/31/60/16/186316016.db2.gz GIUHMODRFGMGJH-IRXDYDNUSA-N 1 3 287.451 2.288 10 0 CEAEHO Cc1cc([C@@H](C[NH3+])N2CCN(C)C(C)(C)C2)ccc1F ZINC000110711668 186316284 /nfs/dbraw/zinc/31/62/84/186316284.db2.gz UNIOWTUPNOEMDN-OAHLLOKOSA-N 1 3 279.403 2.160 10 0 CEAEHO Cc1ccc([C@@H]([NH3+])[C@H](C)N2CCN(C)C(C)(C)C2)cc1 ZINC000110716413 186316775 /nfs/dbraw/zinc/31/67/75/186316775.db2.gz ITWLNTWQYGAOBM-HOCLYGCPSA-N 1 3 275.440 2.409 10 0 CEAEHO CC[C@@H]1CN(CC[NH2+][C@@H]2CCCC[C@@H]2C)CCN1C ZINC000110757571 186320210 /nfs/dbraw/zinc/32/02/10/186320210.db2.gz XVJNWPAKUYRJKC-ARFHVFGLSA-N 1 3 267.461 2.181 10 0 CEAEHO C[C@@H](CC[NH2+]C(C)(C)C)N1CCN(C)C(C)(C)C1 ZINC000110755303 186320537 /nfs/dbraw/zinc/32/05/37/186320537.db2.gz LRWAVEBEYQBXCQ-ZDUSSCGKSA-N 1 3 255.450 2.179 10 0 CEAEHO CCC[C@@H](C)[NH2+]C[C@@H](C)N1CCN(C)C(C)(C)C1 ZINC000110757969 186322038 /nfs/dbraw/zinc/32/20/38/186322038.db2.gz VEYBTLFNJSWPOB-ZIAGYGMSSA-N 1 3 255.450 2.179 10 0 CEAEHO CCC[NH2+]C[C@@](C)(CC)CN1CCN(C)C(C)(C)C1 ZINC000110747261 186322127 /nfs/dbraw/zinc/32/21/27/186322127.db2.gz XXDZXIZSKKTLJP-MRXNPFEDSA-N 1 3 269.477 2.428 10 0 CEAEHO CCCN(CCN(C)C)[C@H](C[NH3+])c1cccc(F)c1F ZINC000111039848 186347159 /nfs/dbraw/zinc/34/71/59/186347159.db2.gz MQEASUUVKXAFKC-CQSZACIVSA-N 1 3 285.382 2.238 10 0 CEAEHO CCCC1CCC(C[NH3+])(N(C)CCN(C)C)CC1 ZINC000111132852 186356041 /nfs/dbraw/zinc/35/60/41/186356041.db2.gz YZQDQVHTSAYZPC-UHFFFAOYSA-N 1 3 255.450 2.168 10 0 CEAEHO C[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N(C)CCN(C)C ZINC000111129940 186356524 /nfs/dbraw/zinc/35/65/24/186356524.db2.gz IFFKVGGDCKFPPW-RISCZKNCSA-N 1 3 269.820 2.222 10 0 CEAEHO CC[NH2+][C@@H](CN(C)CCN(C)C)c1ccc(CC)cc1 ZINC000111134971 186357446 /nfs/dbraw/zinc/35/74/46/186357446.db2.gz NYVMTCUIOJRIKH-KRWDZBQOSA-N 1 3 277.456 2.393 10 0 CEAEHO CCC[NH2+][C@H](CN(C)CCN(C)C)c1ccccc1OC ZINC000111134521 186357785 /nfs/dbraw/zinc/35/77/85/186357785.db2.gz HZHNJBMFZRQPQP-MRXNPFEDSA-N 1 3 293.455 2.229 10 0 CEAEHO CCC[NH2+][C@H]1CCCC[C@@H]1CN(C)CCN(C)C ZINC000111147384 186358287 /nfs/dbraw/zinc/35/82/87/186358287.db2.gz ZWBHOZSRHJAJJS-CABCVRRESA-N 1 3 255.450 2.038 10 0 CEAEHO CN(CCC[NH2+]C1CCCC1)C[C@@H]1CCCOC1 ZINC000111176473 186364717 /nfs/dbraw/zinc/36/47/17/186364717.db2.gz POOAYKFIFWHDEE-AWEZNQCLSA-N 1 3 254.418 2.267 10 0 CEAEHO CCC[NH2+]CC1(CN(C)C[C@@H]2CCCOC2)CCOCC1 ZINC000111172019 186364870 /nfs/dbraw/zinc/36/48/70/186364870.db2.gz AOFOFVRYXVYBKU-INIZCTEOSA-N 1 3 298.471 2.141 10 0 CEAEHO C[N@@H+](Cc1occc1CNC1CC1)CC1CCOCC1 ZINC000111175599 186364946 /nfs/dbraw/zinc/36/49/46/186364946.db2.gz SFLNOUGENSSEFW-UHFFFAOYSA-N 1 3 278.396 2.390 10 0 CEAEHO C[N@H+](Cc1occc1CNC1CC1)CC1CCOCC1 ZINC000111175599 186364947 /nfs/dbraw/zinc/36/49/47/186364947.db2.gz SFLNOUGENSSEFW-UHFFFAOYSA-N 1 3 278.396 2.390 10 0 CEAEHO CC[NH2+][C@H]1CCC[C@H]1CN(C)C[C@@H]1CCCOC1 ZINC000111171742 186366022 /nfs/dbraw/zinc/36/60/22/186366022.db2.gz BNQBTMKJYYITSY-KKUMJFAQSA-N 1 3 254.418 2.123 10 0 CEAEHO CC(C)C[NH2+]C[C@@]1(CN2CCCC2)CCCOC1 ZINC000111323639 186397338 /nfs/dbraw/zinc/39/73/38/186397338.db2.gz SCMNPKHIGKCXFC-OAHLLOKOSA-N 1 3 254.418 2.125 10 0 CEAEHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000111266780 186383476 /nfs/dbraw/zinc/38/34/76/186383476.db2.gz UXXVGHPWXSQZIY-CZUORRHYSA-N 1 3 289.423 2.322 10 0 CEAEHO CC[C@H](C)NC(=O)[C@@H](C)N1CCC(C[NH2+]CC(C)C)CC1 ZINC000111697328 186446526 /nfs/dbraw/zinc/44/65/26/186446526.db2.gz UUDJFMPLSWUCIM-LSDHHAIUSA-N 1 3 297.487 2.247 10 0 CEAEHO CC(C)[C@H](C)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629562381 351415402 /nfs/dbraw/zinc/41/54/02/351415402.db2.gz MOJMMNJIPIFHKS-GARJFASQSA-N 1 3 252.324 2.490 10 0 CEAEHO C[C@H]([NH2+]CCCOc1ccccc1)[C@@H]1CCCNC1 ZINC000578004990 366428993 /nfs/dbraw/zinc/42/89/93/366428993.db2.gz ZCGRRXCNDLBPHP-LSDHHAIUSA-N 1 3 262.397 2.433 10 0 CEAEHO C[C@H](NCCCOc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000578004990 366428997 /nfs/dbraw/zinc/42/89/97/366428997.db2.gz ZCGRRXCNDLBPHP-LSDHHAIUSA-N 1 3 262.397 2.433 10 0 CEAEHO CC(C)C[C@H](CO)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093515971 364195824 /nfs/dbraw/zinc/19/58/24/364195824.db2.gz MWMDYRPADANDEL-QLFBSQMISA-N 1 3 256.434 2.294 10 0 CEAEHO Cc1cc(C)cc(OCCN2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631843663 367585557 /nfs/dbraw/zinc/58/55/57/367585557.db2.gz RIOZBCJQKNCGAH-CABCVRRESA-N 1 3 262.397 2.209 10 0 CEAEHO C[C@@H](O)C[N@@H+]1CCN(c2ccnc3ccccc32)C[C@H]1C ZINC000174732440 368061151 /nfs/dbraw/zinc/06/11/51/368061151.db2.gz SJHZBMAITTVDSP-ZIAGYGMSSA-N 1 3 285.391 2.126 10 0 CEAEHO C[C@@H](O)C[N@H+]1CCN(c2ccnc3ccccc32)C[C@H]1C ZINC000174732440 368061155 /nfs/dbraw/zinc/06/11/55/368061155.db2.gz SJHZBMAITTVDSP-ZIAGYGMSSA-N 1 3 285.391 2.126 10 0 CEAEHO C[C@H](N[C@@H]1CCC[C@H]1C[NH3+])c1ccc2c(c1)OCO2 ZINC000251552061 299381845 /nfs/dbraw/zinc/38/18/45/299381845.db2.gz QQPODJZSHIQFDY-WCFLWFBJSA-N 1 3 262.353 2.193 10 0 CEAEHO CC(C)CN1CCC[C@@H]1C[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000181655715 368479932 /nfs/dbraw/zinc/47/99/32/368479932.db2.gz ZRAXFRVIMSXOKE-OWCLPIDISA-N 1 3 267.461 2.179 10 0 CEAEHO CN(C[C@H]1CCC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000220360745 370231941 /nfs/dbraw/zinc/23/19/41/370231941.db2.gz AGXLLQHNNQSFJH-ZWKOTPCHSA-N 1 3 287.451 2.192 10 0 CEAEHO Cc1cnn(CCN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000235113862 370556354 /nfs/dbraw/zinc/55/63/54/370556354.db2.gz SPCHNZMMKRYBJC-GJZGRUSLSA-N 1 3 264.417 2.092 10 0 CEAEHO CCN1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250239448 371381077 /nfs/dbraw/zinc/38/10/77/371381077.db2.gz HCXWHWKMMJJCEV-YLFCFFPRSA-N 1 3 279.472 2.371 10 0 CEAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc4c(c3)CCC4)C[C@@H]12 ZINC000261607311 371675139 /nfs/dbraw/zinc/67/51/39/371675139.db2.gz RRCBDNXCLZXDLL-GVDBMIGSSA-N 1 3 256.393 2.344 10 0 CEAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cnc4ccccc4c3)C[C@H]12 ZINC000261789393 371732074 /nfs/dbraw/zinc/73/20/74/371732074.db2.gz QHXPBIVYRXKXIJ-HRCADAONSA-N 1 3 267.376 2.404 10 0 CEAEHO NC[C@@H]1C[N@H+](C[C@@H]2CCSC2)C[C@H]1c1ccccc1 ZINC000261822987 371743560 /nfs/dbraw/zinc/74/35/60/371743560.db2.gz ILSWYHPKGUPKSV-IMJJTQAJSA-N 1 3 276.449 2.414 10 0 CEAEHO NC[C@@H]1C[N@@H+](C[C@@H]2CCSC2)C[C@H]1c1ccccc1 ZINC000261822987 371743569 /nfs/dbraw/zinc/74/35/69/371743569.db2.gz ILSWYHPKGUPKSV-IMJJTQAJSA-N 1 3 276.449 2.414 10 0 CEAEHO Cc1cccc(C)c1OCCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262083954 371821792 /nfs/dbraw/zinc/82/17/92/371821792.db2.gz FRWBSQMJWAAHFE-HRCADAONSA-N 1 3 274.408 2.351 10 0 CEAEHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000263316752 371933909 /nfs/dbraw/zinc/93/39/09/371933909.db2.gz ZOXFZWWNZQIPLG-WXYCVUISSA-N 1 3 294.826 2.146 10 0 CEAEHO CCC1(CC)[C@H](NC[C@H](O)C[NH+]2CCCCC2)C[C@H]1OC ZINC000181560647 542273742 /nfs/dbraw/zinc/27/37/42/542273742.db2.gz JDUQZKIGTCEBOC-ARFHVFGLSA-N 1 3 298.471 2.017 10 0 CEAEHO CC[C@@](C)(C[NH2+]C(C)(C)C)CN(C)CC(C)(C)O ZINC000092983164 184640969 /nfs/dbraw/zinc/64/09/69/184640969.db2.gz CQNOYEJPLJWXBJ-HNNXBMFYSA-N 1 3 258.450 2.494 10 0 CEAEHO C[NH2+][C@H]1[C@H](N2CCN(C(C)(C)C)CC2)CCC1(C)C ZINC000094304621 184778154 /nfs/dbraw/zinc/77/81/54/184778154.db2.gz NIXVJWNCTVCGDJ-KGLIPLIRSA-N 1 3 267.461 2.179 10 0 CEAEHO O[C@H]1CCCC[C@@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000305139246 285362879 /nfs/dbraw/zinc/36/28/79/285362879.db2.gz PNYZOGUFDSWFBA-HOTGVXAUSA-N 1 3 266.429 2.287 10 0 CEAEHO OC[C@@H]1CCC[C@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000089495843 135059314 /nfs/dbraw/zinc/05/93/14/135059314.db2.gz LYTJXPYFSLOKJY-GJZGRUSLSA-N 1 3 289.423 2.049 10 0 CEAEHO CC(C)C[C@@](C)(O)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000090270705 135063034 /nfs/dbraw/zinc/06/30/34/135063034.db2.gz GXFMOTLXXXIFII-QGZVFWFLSA-N 1 3 291.439 2.437 10 0 CEAEHO C[NH+](C)[C@@H]1CCCN(c2cccc(Cl)c2CN)C1 ZINC000091393821 135069062 /nfs/dbraw/zinc/06/90/62/135069062.db2.gz AUXJPXVEASCDSN-LLVKDONJSA-N 1 3 267.804 2.329 10 0 CEAEHO CC(C)NCc1cc(N2CCC[C@@H]([NH+](C)C)C2)ccn1 ZINC000091432351 135069967 /nfs/dbraw/zinc/06/99/67/135069967.db2.gz VMVNJEMRAWMZHZ-MRXNPFEDSA-N 1 3 276.428 2.110 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H](CN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000091545238 135071827 /nfs/dbraw/zinc/07/18/27/135071827.db2.gz AZNFSSIDXRMIQX-UKRRQHHQSA-N 1 3 277.387 2.075 10 0 CEAEHO FC1(F)CCCC[C@@H]1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000381719050 395176475 /nfs/dbraw/zinc/17/64/75/395176475.db2.gz RHXFGIHSIBUOPW-CHWSQXEVSA-N 1 3 258.356 2.497 10 0 CEAEHO C[C@@H]1C[C@@H](C)C[NH+](CCC(=O)Nc2cccc(CN)c2)C1 ZINC000022162608 171364496 /nfs/dbraw/zinc/36/44/96/171364496.db2.gz FWILDUDCYXJPBV-ZIAGYGMSSA-N 1 3 289.423 2.452 10 0 CEAEHO C[C@@H]1C[C@@H](C)C[NH+](CCC(=O)Nc2ccccc2CN)C1 ZINC000022221315 171378279 /nfs/dbraw/zinc/37/82/79/171378279.db2.gz IGTOSVCDNFRIRF-ZIAGYGMSSA-N 1 3 289.423 2.452 10 0 CEAEHO CCC[NH2+]Cc1ccc(OCCN(C)C)c(OC)c1 ZINC000032114717 171708360 /nfs/dbraw/zinc/70/83/60/171708360.db2.gz JXJNALVPXKLMMU-UHFFFAOYSA-N 1 3 266.385 2.135 10 0 CEAEHO CCN1CCC[C@H]([C@@H](C)[NH2+]CC[C@@H]2CCCO2)C1 ZINC000038096061 174110152 /nfs/dbraw/zinc/11/01/52/174110152.db2.gz FNDXPXKJFUFAFQ-ILXRZTDVSA-N 1 3 254.418 2.266 10 0 CEAEHO Cc1cc(C)c(CN)c(OCC[C@H]2CCC[N@H+]2C)n1 ZINC000040509814 174303893 /nfs/dbraw/zinc/30/38/93/174303893.db2.gz DPIVPUTXYAVXMA-CYBMUJFWSA-N 1 3 263.385 2.020 10 0 CEAEHO Cc1cc(C)c(CN)c(OCC[C@H]2CCC[N@@H+]2C)n1 ZINC000040509814 174303895 /nfs/dbraw/zinc/30/38/95/174303895.db2.gz DPIVPUTXYAVXMA-CYBMUJFWSA-N 1 3 263.385 2.020 10 0 CEAEHO Cc1ccc([C@H]([C@@H](C)N)N2CCC([NH+](C)C)CC2)o1 ZINC000043364373 175024842 /nfs/dbraw/zinc/02/48/42/175024842.db2.gz PNIGWRCDUFUCMQ-DOMZBBRYSA-N 1 3 265.401 2.002 10 0 CEAEHO CCCN1CCN([C@H]2CCCCCC[C@@H]2[NH2+]C)CC1 ZINC000043805269 175107579 /nfs/dbraw/zinc/10/75/79/175107579.db2.gz REDYTRDVNYKNBM-HOTGVXAUSA-N 1 3 267.461 2.325 10 0 CEAEHO CCC[NH2+][C@H](C)CCN1CCN(C(C)(C)C)CC1 ZINC000043965722 175126900 /nfs/dbraw/zinc/12/69/00/175126900.db2.gz JHURVPXZRWKQJX-CQSZACIVSA-N 1 3 255.450 2.181 10 0 CEAEHO CC[C@@H](CC[NH3+])N1CCN([C@@H](C)c2ccccc2)CC1 ZINC000070988413 176018444 /nfs/dbraw/zinc/01/84/44/176018444.db2.gz HXOPOMRYCVBNAN-RDJZCZTQSA-N 1 3 275.440 2.493 10 0 CEAEHO CC[C@@H]1CCC[C@](C[NH3+])(N2CCN(CC3CC3)CC2)C1 ZINC000071123897 176035187 /nfs/dbraw/zinc/03/51/87/176035187.db2.gz KHWSCCJYFKKDGO-WBVHZDCISA-N 1 3 279.472 2.312 10 0 CEAEHO CCc1ccc([C@@H](C)N(C)CCN2CC[NH2+]CC2)cc1 ZINC000071148926 176044394 /nfs/dbraw/zinc/04/43/94/176044394.db2.gz QHEAELSEUCQKEN-OAHLLOKOSA-N 1 3 275.440 2.147 10 0 CEAEHO CN(C[C@H]1CC[N@H+](C)C1)c1c(CN)cnc2ccccc21 ZINC000071187564 176061017 /nfs/dbraw/zinc/06/10/17/176061017.db2.gz HQIRLIAFEOCGSW-ZDUSSCGKSA-N 1 3 284.407 2.081 10 0 CEAEHO CN(C[C@H]1CC[N@@H+](C)C1)c1c(CN)cnc2ccccc21 ZINC000071187564 176061018 /nfs/dbraw/zinc/06/10/18/176061018.db2.gz HQIRLIAFEOCGSW-ZDUSSCGKSA-N 1 3 284.407 2.081 10 0 CEAEHO CNCc1c(Cl)cccc1N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071190004 176065725 /nfs/dbraw/zinc/06/57/25/176065725.db2.gz ZHNBSDQNDRWCFP-LBPRGKRZSA-N 1 3 281.831 2.447 10 0 CEAEHO CNCc1c(Cl)cccc1N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071190004 176065726 /nfs/dbraw/zinc/06/57/26/176065726.db2.gz ZHNBSDQNDRWCFP-LBPRGKRZSA-N 1 3 281.831 2.447 10 0 CEAEHO CC[C@@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1CCn1ccnc1C ZINC000071346524 176131849 /nfs/dbraw/zinc/13/18/49/176131849.db2.gz CEZQDYNXXHJGTI-HUUCEWRRSA-N 1 3 278.444 2.290 10 0 CEAEHO CC[C@@H]1CN[C@@H](C(C)(C)C)C[N@H+]1CCn1ccnc1C ZINC000071346524 176131850 /nfs/dbraw/zinc/13/18/50/176131850.db2.gz CEZQDYNXXHJGTI-HUUCEWRRSA-N 1 3 278.444 2.290 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@H+](CCn2ccnc2C)[C@H](C2CC2)CN1 ZINC000071355313 176136553 /nfs/dbraw/zinc/13/65/53/176136553.db2.gz ZWHBQPWNOAUGRB-JQFCIGGWSA-N 1 3 290.455 2.290 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@@H+](CCn2ccnc2C)[C@H](C2CC2)CN1 ZINC000071355313 176136555 /nfs/dbraw/zinc/13/65/55/176136555.db2.gz ZWHBQPWNOAUGRB-JQFCIGGWSA-N 1 3 290.455 2.290 10 0 CEAEHO COc1ccc(OCCN[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000667007651 419512208 /nfs/dbraw/zinc/51/22/08/419512208.db2.gz JIMAWNAPWNKOFV-KGLIPLIRSA-N 1 3 278.396 2.052 10 0 CEAEHO CC[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105862880 276068924 /nfs/dbraw/zinc/06/89/24/276068924.db2.gz YUQDCRSMFWBYQA-QGZVFWFLSA-N 1 3 276.424 2.384 10 0 CEAEHO CC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105862880 276068925 /nfs/dbraw/zinc/06/89/25/276068925.db2.gz YUQDCRSMFWBYQA-QGZVFWFLSA-N 1 3 276.424 2.384 10 0 CEAEHO CCN(CC)CCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085629478 279100903 /nfs/dbraw/zinc/10/09/03/279100903.db2.gz KKJRLLUSZRQLTQ-IHRRRGAJSA-N 1 3 254.418 2.121 10 0 CEAEHO CCC[C@@H](C(=O)NCCC[N@H+](C)C1CCCCC1)N(C)C ZINC000134961066 280033843 /nfs/dbraw/zinc/03/38/43/280033843.db2.gz LESZEEYYOSRWGN-INIZCTEOSA-N 1 3 297.487 2.488 10 0 CEAEHO CCC[C@@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)N(C)C ZINC000134961066 280033844 /nfs/dbraw/zinc/03/38/44/280033844.db2.gz LESZEEYYOSRWGN-INIZCTEOSA-N 1 3 297.487 2.488 10 0 CEAEHO CCC[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)N(C)C ZINC000245659587 280255393 /nfs/dbraw/zinc/25/53/93/280255393.db2.gz HDUWSIGUTKKUEE-INMHGKMJSA-N 1 3 297.487 2.343 10 0 CEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)C1 ZINC000246505832 280297917 /nfs/dbraw/zinc/29/79/17/280297917.db2.gz SIXCDIGAVJWVGN-YXMSTPNBSA-N 1 3 295.471 2.093 10 0 CEAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)C1 ZINC000246505832 280297922 /nfs/dbraw/zinc/29/79/22/280297922.db2.gz SIXCDIGAVJWVGN-YXMSTPNBSA-N 1 3 295.471 2.093 10 0 CEAEHO COc1cccc([C@@H](CN[C@H]2CCC[NH2+]CC2)N(C)C)c1 ZINC000133526275 295314676 /nfs/dbraw/zinc/31/46/76/295314676.db2.gz KIJGKXHYORIQLE-DOTOQJQBSA-N 1 3 291.439 2.030 10 0 CEAEHO CC(C)[NH2+]Cc1ccc(COCCN(C)C)cc1 ZINC000052669822 519726757 /nfs/dbraw/zinc/72/67/57/519726757.db2.gz NNVLQMBBXKRNSF-UHFFFAOYSA-N 1 3 250.386 2.263 10 0 CEAEHO CC[NH2+]Cc1ccoc1CN1CCCSCC1 ZINC000052371028 520009640 /nfs/dbraw/zinc/00/96/40/520009640.db2.gz ITBDPZYQZBLSLB-UHFFFAOYSA-N 1 3 254.399 2.328 10 0 CEAEHO CCC[NH2+][C@H](CN1CCN(C(C)(C)C)CC1)C1CC1 ZINC000069074203 520082928 /nfs/dbraw/zinc/08/29/28/520082928.db2.gz WCORFJXDLDTGSC-OAHLLOKOSA-N 1 3 267.461 2.181 10 0 CEAEHO C[NH2+]Cc1oc(CN(C)[C@@H]2CCSC2)cc1C ZINC000052453722 522160434 /nfs/dbraw/zinc/16/04/34/522160434.db2.gz WILHUPBKHCIUNB-LLVKDONJSA-N 1 3 254.399 2.245 10 0 CEAEHO CC(C)C[C@H](CN(C)C)NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050943335 519335655 /nfs/dbraw/zinc/33/56/55/519335655.db2.gz WZEWCSBCJOAWQJ-HUUCEWRRSA-N 1 3 283.460 2.001 10 0 CEAEHO CC(C)C[NH+](Cc1cccnc1C(=N)N)CC(C)C ZINC000061658091 519718463 /nfs/dbraw/zinc/71/84/63/519718463.db2.gz QLZXJPZNNYWVJQ-UHFFFAOYSA-N 1 3 262.401 2.480 10 0 CEAEHO CC(C)[NH2+]CCC[C@H](C)N1CCN(C(C)C)CC1 ZINC000052480094 519721344 /nfs/dbraw/zinc/72/13/44/519721344.db2.gz CAEMJIQVIWFJHZ-HNNXBMFYSA-N 1 3 255.450 2.179 10 0 CEAEHO CCC[NH2+]C[C@@H](C(C)C)N1CCN([C@H](C)CC)CC1 ZINC000055074831 519920689 /nfs/dbraw/zinc/92/06/89/519920689.db2.gz RKVMGVQJAKGBPO-CVEARBPZSA-N 1 3 269.477 2.427 10 0 CEAEHO CCC[NH2+]Cc1cccc(CN(CCOC)CCOC)c1 ZINC000052571380 519954478 /nfs/dbraw/zinc/95/44/78/519954478.db2.gz WMPOJRLCJSKPNL-UHFFFAOYSA-N 1 3 294.439 2.281 10 0 CEAEHO CCC[NH2+]Cc1ccccc1COCCN(C)C ZINC000052669907 519956518 /nfs/dbraw/zinc/95/65/18/519956518.db2.gz XFRCKCSYMFLZCS-UHFFFAOYSA-N 1 3 250.386 2.264 10 0 CEAEHO CCCNCc1nc(CN2CCC[C@@H]2C[NH+](C)C)cs1 ZINC000061654727 519968388 /nfs/dbraw/zinc/96/83/88/519968388.db2.gz ZIFNCLOGAXGYJS-CQSZACIVSA-N 1 3 296.484 2.169 10 0 CEAEHO CCNCc1c(C)cc(C)nc1N1CCC[C@@H]1C[NH+](C)C ZINC000061654189 519982980 /nfs/dbraw/zinc/98/29/80/519982980.db2.gz GFROWTPCXMTHOO-OAHLLOKOSA-N 1 3 290.455 2.338 10 0 CEAEHO CCC[NH2+][C@@H](C)C1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000068875179 519983917 /nfs/dbraw/zinc/98/39/17/519983917.db2.gz ZCJAJADOFKDJRC-CMPLNLGQSA-N 1 3 282.350 2.010 10 0 CEAEHO CC[NH2+]Cc1cc(CN(CCCOC)CCOC)c(C)o1 ZINC000052543316 519988754 /nfs/dbraw/zinc/98/87/54/519988754.db2.gz YKYVUXROUKPLGV-UHFFFAOYSA-N 1 3 298.427 2.182 10 0 CEAEHO CC[NH2+]Cc1cccc(CN2CCC(OC)CC2)c1 ZINC000052455171 520004986 /nfs/dbraw/zinc/00/49/86/520004986.db2.gz FYWIOZWNKUWYNW-UHFFFAOYSA-N 1 3 262.397 2.407 10 0 CEAEHO CC[NH2+]Cc1sc(N(C)[C@H]2CCCN(C)C2)nc1CC ZINC000054998302 520033438 /nfs/dbraw/zinc/03/34/38/520033438.db2.gz WBXPTFYPZFDTTA-LBPRGKRZSA-N 1 3 296.484 2.345 10 0 CEAEHO CCO[C@@H](CN)C[N@H+](Cc1cccs1)C(C)C ZINC000062739734 520309439 /nfs/dbraw/zinc/30/94/39/520309439.db2.gz AEFYOCPGKRWJJF-LBPRGKRZSA-N 1 3 256.415 2.322 10 0 CEAEHO CCO[C@@H](CN)C[N@@H+](Cc1cccs1)C(C)C ZINC000062739734 520309443 /nfs/dbraw/zinc/30/94/43/520309443.db2.gz AEFYOCPGKRWJJF-LBPRGKRZSA-N 1 3 256.415 2.322 10 0 CEAEHO CCO[C@H]1CCCN(Cc2cc(C[NH2+]C)oc2C)C1 ZINC000052372314 520528375 /nfs/dbraw/zinc/52/83/75/520528375.db2.gz VESKINPBPNDMLD-AWEZNQCLSA-N 1 3 266.385 2.308 10 0 CEAEHO CC[NH+](CC)[C@H]1CCN([C@@H](CN)c2ccccc2OC)C1 ZINC000062977078 520874617 /nfs/dbraw/zinc/87/46/17/520874617.db2.gz DZTHNNWDAJUUTO-HOCLYGCPSA-N 1 3 291.439 2.111 10 0 CEAEHO CCN(CC1CC1)[C@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000069237276 520968463 /nfs/dbraw/zinc/96/84/63/520968463.db2.gz JHMGIJFVGAGHJG-GFCCVEGCSA-N 1 3 275.396 2.204 10 0 CEAEHO CCN(CCCOCC(F)(F)F)C1CC[NH2+]CC1 ZINC000049313062 521036967 /nfs/dbraw/zinc/03/69/67/521036967.db2.gz CBDWWVIZCGXUCW-UHFFFAOYSA-N 1 3 268.323 2.029 10 0 CEAEHO CCC[C@H](C)[C@H](C[NH3+])N1CCN([C@@H](C)CC)CC1 ZINC000055064430 521065858 /nfs/dbraw/zinc/06/58/58/521065858.db2.gz RADMAKODUYFGFX-KKUMJFAQSA-N 1 3 255.450 2.166 10 0 CEAEHO CCN(Cc1ccc(C[NH2+]C)cc1)C[C@@H]1CCCO1 ZINC000052511008 521306179 /nfs/dbraw/zinc/30/61/79/521306179.db2.gz XEMOFJBZIFFDRM-INIZCTEOSA-N 1 3 262.397 2.407 10 0 CEAEHO CCN(Cc1ccccc1C[NH2+]C)C[C@@H]1CCCO1 ZINC000052511102 521380784 /nfs/dbraw/zinc/38/07/84/521380784.db2.gz CSXMYOZDZKVKID-INIZCTEOSA-N 1 3 262.397 2.407 10 0 CEAEHO CCCc1nc(N2CCC[C@H]2C[NH+](C)C)sc1CN ZINC000061655584 521533190 /nfs/dbraw/zinc/53/31/90/521533190.db2.gz FVYCHUBTSSLFRV-NSHDSACASA-N 1 3 282.457 2.085 10 0 CEAEHO C[NH+](C)C[C@@H]1CCCN1Cc1ccoc1CNC1CC1 ZINC000061654416 521840403 /nfs/dbraw/zinc/84/04/03/521840403.db2.gz GWTORLAVAKWSLD-HNNXBMFYSA-N 1 3 277.412 2.058 10 0 CEAEHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCc1ccc(O)cc1 ZINC000054628691 521955725 /nfs/dbraw/zinc/95/57/25/521955725.db2.gz VGKMVDDYGHKAMF-GOOCMWNKSA-N 1 3 260.381 2.150 10 0 CEAEHO C[NH2+]CCCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000052418223 521991680 /nfs/dbraw/zinc/99/16/80/521991680.db2.gz JLNJIMHYCQWXKA-UHFFFAOYSA-N 1 3 279.403 2.337 10 0 CEAEHO CNC[C@@](C)(C[N@@H+]1CCC[C@@H]1CCCO)c1ccccc1 ZINC000052763411 522064151 /nfs/dbraw/zinc/06/41/51/522064151.db2.gz RSGUUWNNKVQXPX-MSOLQXFVSA-N 1 3 290.451 2.401 10 0 CEAEHO CNC[C@@](C)(C[N@H+]1CCC[C@@H]1CCCO)c1ccccc1 ZINC000052763411 522064159 /nfs/dbraw/zinc/06/41/59/522064159.db2.gz RSGUUWNNKVQXPX-MSOLQXFVSA-N 1 3 290.451 2.401 10 0 CEAEHO C[NH2+]C[C@@](C)(CN1CCC[C@@H]1CCCO)c1ccccc1 ZINC000052763411 522064166 /nfs/dbraw/zinc/06/41/66/522064166.db2.gz RSGUUWNNKVQXPX-MSOLQXFVSA-N 1 3 290.451 2.401 10 0 CEAEHO CC[C@@H](C)[N@H+](CCOC)CC1(CNC2CC2)CCOCC1 ZINC000052183561 522093300 /nfs/dbraw/zinc/09/33/00/522093300.db2.gz LXMOCCPMNQMHLU-OAHLLOKOSA-N 1 3 298.471 2.282 10 0 CEAEHO CC[C@@H](C)[N@@H+](CCOC)CC1(CNC2CC2)CCOCC1 ZINC000052183561 522093307 /nfs/dbraw/zinc/09/33/07/522093307.db2.gz LXMOCCPMNQMHLU-OAHLLOKOSA-N 1 3 298.471 2.282 10 0 CEAEHO CC[C@@H](C)N(CCOC)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052183561 522093320 /nfs/dbraw/zinc/09/33/20/522093320.db2.gz LXMOCCPMNQMHLU-OAHLLOKOSA-N 1 3 298.471 2.282 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000055072507 522123948 /nfs/dbraw/zinc/12/39/48/522123948.db2.gz YSQOFTTZKANLOX-OAGGEKHMSA-N 1 3 267.461 2.310 10 0 CEAEHO C[NH2+]Cc1cccc(CN2CCN(C(C)(C)C)CC2)c1 ZINC000052571611 522127898 /nfs/dbraw/zinc/12/78/98/522127898.db2.gz PJPKXYURAKWVOP-UHFFFAOYSA-N 1 3 275.440 2.322 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000055063925 522132799 /nfs/dbraw/zinc/13/27/99/522132799.db2.gz AAMOBEWGGMIZCM-RHSMWYFYSA-N 1 3 291.439 2.111 10 0 CEAEHO C[NH2+]Cc1ccccc1CN(C)C[C@H]1CCCCO1 ZINC000052507705 522134220 /nfs/dbraw/zinc/13/42/20/522134220.db2.gz ACHZZLWDUUQVSL-MRXNPFEDSA-N 1 3 262.397 2.407 10 0 CEAEHO CC[C@H](N)[C@H]([N@@H+]1CCC[C@@H]1CN(C)C)C(C)(C)C ZINC000061642080 522341262 /nfs/dbraw/zinc/34/12/62/522341262.db2.gz KELVUULDMLVHRU-RDBSUJKOSA-N 1 3 255.450 2.164 10 0 CEAEHO CC[C@H](N)[C@H]([N@H+]1CCC[C@@H]1CN(C)C)C(C)(C)C ZINC000061642080 522341271 /nfs/dbraw/zinc/34/12/71/522341271.db2.gz KELVUULDMLVHRU-RDBSUJKOSA-N 1 3 255.450 2.164 10 0 CEAEHO CC[C@@H](C[NH2+]C1CC1)N(CCN(C)C)CC(C)C ZINC000052503281 522545089 /nfs/dbraw/zinc/54/50/89/522545089.db2.gz SNRWTCIZMUODPF-HNNXBMFYSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[C@@H]([NH3+])[C@H](c1cccnc1)N1CCN(CC(C)C)CC1 ZINC000055077484 522653736 /nfs/dbraw/zinc/65/37/36/522653736.db2.gz VOFPGAJBAHIICS-SJORKVTESA-N 1 3 290.455 2.134 10 0 CEAEHO C[N@H+](Cc1occc1CNC1CC1)C1CCOCC1 ZINC000052481151 523616346 /nfs/dbraw/zinc/61/63/46/523616346.db2.gz DPBZGVIJZQZXJB-UHFFFAOYSA-N 1 3 264.369 2.142 10 0 CEAEHO C[N@@H+](Cc1occc1CNC1CC1)C1CCOCC1 ZINC000052481151 523616357 /nfs/dbraw/zinc/61/63/57/523616357.db2.gz DPBZGVIJZQZXJB-UHFFFAOYSA-N 1 3 264.369 2.142 10 0 CEAEHO CN([C@@H](CC(N)=[NH2+])c1ccccc1)C1CCN(C)CC1 ZINC000055022488 523623357 /nfs/dbraw/zinc/62/33/57/523623357.db2.gz QLCHRXKXHKXBAF-HNNXBMFYSA-N 1 3 274.412 2.080 10 0 CEAEHO CN(c1ccc(Cl)cc1C(N)=[NH2+])C1CCN(C)CC1 ZINC000052859996 523637413 /nfs/dbraw/zinc/63/74/13/523637413.db2.gz VFNGPNXOJWAGGD-UHFFFAOYSA-N 1 3 280.803 2.154 10 0 CEAEHO COCCN(C[C@H](C)C[NH2+]C(C)C)[C@@H](C)C1CC1 ZINC000052545309 523733241 /nfs/dbraw/zinc/73/32/41/523733241.db2.gz MPBJGBGGWSNTHN-KGLIPLIRSA-N 1 3 256.434 2.367 10 0 CEAEHO CN1CCC[N@H+](Cc2c3ccccc3oc2CN)CC1 ZINC000052424207 523808009 /nfs/dbraw/zinc/80/80/09/523808009.db2.gz LZUDYLYLNJJKRE-UHFFFAOYSA-N 1 3 273.380 2.029 10 0 CEAEHO CN1CCC[N@@H+](Cc2c3ccccc3oc2CN)CC1 ZINC000052424207 523808016 /nfs/dbraw/zinc/80/80/16/523808016.db2.gz LZUDYLYLNJJKRE-UHFFFAOYSA-N 1 3 273.380 2.029 10 0 CEAEHO C[N@@H+]1CCCN(Cc2c3ccccc3oc2CN)CC1 ZINC000052424207 523808020 /nfs/dbraw/zinc/80/80/20/523808020.db2.gz LZUDYLYLNJJKRE-UHFFFAOYSA-N 1 3 273.380 2.029 10 0 CEAEHO C[N@H+]1CCCN(Cc2c3ccccc3oc2CN)CC1 ZINC000052424207 523808025 /nfs/dbraw/zinc/80/80/25/523808025.db2.gz LZUDYLYLNJJKRE-UHFFFAOYSA-N 1 3 273.380 2.029 10 0 CEAEHO CN1CCN(Cc2ccc(C[NH2+]C(C)(C)C)cc2)CC1 ZINC000052379507 523911732 /nfs/dbraw/zinc/91/17/32/523911732.db2.gz XBDRMFXLMWTIMZ-UHFFFAOYSA-N 1 3 275.440 2.322 10 0 CEAEHO CC[C@H](C)N1CCN(CCC[NH2+]C2CCCC2)CC1 ZINC000055075002 523952541 /nfs/dbraw/zinc/95/25/41/523952541.db2.gz SHXZPIGAWYBECI-HNNXBMFYSA-N 1 3 267.461 2.325 10 0 CEAEHO CC[C@H](C)N1CCN(C2(C[NH3+])CCCCC2)CC1 ZINC000055064607 523952916 /nfs/dbraw/zinc/95/29/16/523952916.db2.gz DHIXQJJUYPKQDZ-AWEZNQCLSA-N 1 3 253.434 2.064 10 0 CEAEHO CC[C@H](C)N1CCN(CC[NH2+]C2CCCCC2)CC1 ZINC000055075146 523953265 /nfs/dbraw/zinc/95/32/65/523953265.db2.gz WCNHHDJLVLMJIK-HNNXBMFYSA-N 1 3 267.461 2.325 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H]2C[C@@H](CC)CC[C@@H]2[NH3+])CC1 ZINC000055065374 523958057 /nfs/dbraw/zinc/95/80/57/523958057.db2.gz OKFHCURZXQRSCA-YHUYYLMFSA-N 1 3 267.461 2.309 10 0 CEAEHO CCc1ccc([C@H](CN)N2CCC([NH+](C)C)CC2)s1 ZINC000051719095 524048111 /nfs/dbraw/zinc/04/81/11/524048111.db2.gz FADLTQFELCOKGF-AWEZNQCLSA-N 1 3 281.469 2.336 10 0 CEAEHO C[C@]([NH3+])(CN1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000052883705 525150055 /nfs/dbraw/zinc/15/00/55/525150055.db2.gz SXUQUBNCRNHJMI-SFHVURJKSA-N 1 3 287.451 2.421 10 0 CEAEHO Cc1cc([C@@H](C[NH3+])N2CCN(CC(C)C)CC2)ccc1F ZINC000055077954 525482107 /nfs/dbraw/zinc/48/21/07/525482107.db2.gz RQOUJLQDBZWRAX-QGZVFWFLSA-N 1 3 293.430 2.408 10 0 CEAEHO C[C@@](CO)(CCCN1Cc2ccccc2C1)[NH2+]C1CC1 ZINC000070334531 525741234 /nfs/dbraw/zinc/74/12/34/525741234.db2.gz OGNSJMWGVYTJIC-KRWDZBQOSA-N 1 3 274.408 2.285 10 0 CEAEHO NC(=[NH2+])c1c(Cl)cccc1OCCN1CCCC1 ZINC000052907587 526819615 /nfs/dbraw/zinc/81/96/15/526819615.db2.gz IXWLOGWHCJFNFM-UHFFFAOYSA-N 1 3 267.760 2.099 10 0 CEAEHO N=C(N)c1ncccc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000061658389 526825017 /nfs/dbraw/zinc/82/50/17/526825017.db2.gz NKXYQJMINMZZHQ-CQSZACIVSA-N 1 3 280.375 2.355 10 0 CEAEHO N=C(N)c1ncccc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000061658389 526825025 /nfs/dbraw/zinc/82/50/25/526825025.db2.gz NKXYQJMINMZZHQ-CQSZACIVSA-N 1 3 280.375 2.355 10 0 CEAEHO FC(F)(F)COCCCN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000049564876 527669760 /nfs/dbraw/zinc/66/97/60/527669760.db2.gz KNEOVGOKDHNALW-RYUDHWBXSA-N 1 3 280.334 2.172 10 0 CEAEHO FC(F)(F)COCCCN[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000049564876 527669761 /nfs/dbraw/zinc/66/97/61/527669761.db2.gz KNEOVGOKDHNALW-RYUDHWBXSA-N 1 3 280.334 2.172 10 0 CEAEHO CC(C)(CCN1CCN(c2ccc(F)cc2)CC1)C(N)=[NH2+] ZINC000087593364 535027699 /nfs/dbraw/zinc/02/76/99/535027699.db2.gz OHNPMDGYEYYPKW-UHFFFAOYSA-N 1 3 292.402 2.300 10 0 CEAEHO COc1cccc(N2CCN(CCC(C)(C)C[NH3+])CC2)c1 ZINC000087590426 537122638 /nfs/dbraw/zinc/12/26/38/537122638.db2.gz OSVXZMXNEVMJHT-UHFFFAOYSA-N 1 3 291.439 2.192 10 0 CEAEHO CCC(CC)[C@@H](CNC(=O)CNCC1CC1)[NH+]1CCCC1 ZINC000164392046 282235669 /nfs/dbraw/zinc/23/56/69/282235669.db2.gz BYNDVYHSEBQZKP-MRXNPFEDSA-N 1 3 295.471 2.003 10 0 CEAEHO CCC[C@H]1CNC(C)(C)C[N@@H+]1CCn1ccnc1C ZINC000085469566 179074886 /nfs/dbraw/zinc/07/48/86/179074886.db2.gz PCTTUXRLJPLZNQ-AWEZNQCLSA-N 1 3 264.417 2.044 10 0 CEAEHO CCC[C@H]1CNC(C)(C)C[N@H+]1CCn1ccnc1C ZINC000085469566 179074888 /nfs/dbraw/zinc/07/48/88/179074888.db2.gz PCTTUXRLJPLZNQ-AWEZNQCLSA-N 1 3 264.417 2.044 10 0 CEAEHO c1ccc(C[C@@H]2CN(CC3CCOCC3)CCC[NH2+]2)cc1 ZINC000085608786 179101690 /nfs/dbraw/zinc/10/16/90/179101690.db2.gz UKQNCSQOMPESKX-GOSISDBHSA-N 1 3 288.435 2.320 10 0 CEAEHO Cc1nccn1CC[N@@H+]1CCCN[C@@H](c2ccccc2)C1 ZINC000085610813 179103530 /nfs/dbraw/zinc/10/35/30/179103530.db2.gz BANCAYLEOUCFOH-QGZVFWFLSA-N 1 3 284.407 2.228 10 0 CEAEHO Cc1nccn1CC[N@H+]1CCCN[C@@H](c2ccccc2)C1 ZINC000085610813 179103533 /nfs/dbraw/zinc/10/35/33/179103533.db2.gz BANCAYLEOUCFOH-QGZVFWFLSA-N 1 3 284.407 2.228 10 0 CEAEHO C[C@H]1CC[NH2+]C2(CCCC2)CN1C[C@@H]1CCCO1 ZINC000085623238 179105074 /nfs/dbraw/zinc/10/50/74/179105074.db2.gz CWACPWVOOMSQJW-KBPBESRZSA-N 1 3 252.402 2.162 10 0 CEAEHO C[C@H]1CCNC2(CCCC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085623238 179105076 /nfs/dbraw/zinc/10/50/76/179105076.db2.gz CWACPWVOOMSQJW-KBPBESRZSA-N 1 3 252.402 2.162 10 0 CEAEHO C[C@H]1CCNC2(CCCC2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085623238 179105078 /nfs/dbraw/zinc/10/50/78/179105078.db2.gz CWACPWVOOMSQJW-KBPBESRZSA-N 1 3 252.402 2.162 10 0 CEAEHO Cc1nccn1CCN1CC2(CCCC2)[NH2+]CC[C@@H]1C ZINC000085623229 179106068 /nfs/dbraw/zinc/10/60/68/179106068.db2.gz XCFDSGGPGNPPOM-AWEZNQCLSA-N 1 3 276.428 2.188 10 0 CEAEHO Cc1nccn1CC[N@H+]1CC2(CCCC2)NCC[C@@H]1C ZINC000085623229 179106070 /nfs/dbraw/zinc/10/60/70/179106070.db2.gz XCFDSGGPGNPPOM-AWEZNQCLSA-N 1 3 276.428 2.188 10 0 CEAEHO Cc1nccn1CC[N@@H+]1CC2(CCCC2)NCC[C@@H]1C ZINC000085623229 179106072 /nfs/dbraw/zinc/10/60/72/179106072.db2.gz XCFDSGGPGNPPOM-AWEZNQCLSA-N 1 3 276.428 2.188 10 0 CEAEHO CN1CCCC[C@H]1CN1CC[NH2+]C2(CCCCC2)C1 ZINC000086145820 179238595 /nfs/dbraw/zinc/23/85/95/179238595.db2.gz WYSKYIXBHULPOW-HNNXBMFYSA-N 1 3 265.445 2.079 10 0 CEAEHO C[C@H]1CN([C@@H]2CCN(C3CC3)C2)[C@H](c2ccccc2)C[NH2+]1 ZINC000086173832 179244298 /nfs/dbraw/zinc/24/42/98/179244298.db2.gz NAUXHTDBOATSHJ-QGTPRVQTSA-N 1 3 285.435 2.258 10 0 CEAEHO C[C@@H]1CN[C@H](c2ccccc2)C[N@@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182480 179247594 /nfs/dbraw/zinc/24/75/94/179247594.db2.gz VSARDBRBUXOYIJ-FHLIZLRMSA-N 1 3 285.435 2.116 10 0 CEAEHO C[C@@H]1CN[C@H](c2ccccc2)C[N@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182480 179247596 /nfs/dbraw/zinc/24/75/96/179247596.db2.gz VSARDBRBUXOYIJ-FHLIZLRMSA-N 1 3 285.435 2.116 10 0 CEAEHO CC[C@H]1C[N@H+](C[C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086259256 179258090 /nfs/dbraw/zinc/25/80/90/179258090.db2.gz LHOSADJYZMMTKL-PMPSAXMXSA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@H]1C[N@@H+](C[C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086259256 179258091 /nfs/dbraw/zinc/25/80/91/179258091.db2.gz LHOSADJYZMMTKL-PMPSAXMXSA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259604 179258277 /nfs/dbraw/zinc/25/82/77/179258277.db2.gz AFYUEYGOKHSYPI-IMJJTQAJSA-N 1 3 279.472 2.322 10 0 CEAEHO CC[C@H]1CN[C@H](C(C)(C)C)C[N@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259604 179258279 /nfs/dbraw/zinc/25/82/79/179258279.db2.gz AFYUEYGOKHSYPI-IMJJTQAJSA-N 1 3 279.472 2.322 10 0 CEAEHO CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259604 179258280 /nfs/dbraw/zinc/25/82/80/179258280.db2.gz AFYUEYGOKHSYPI-IMJJTQAJSA-N 1 3 279.472 2.322 10 0 CEAEHO CC(C)[C@@H]1CN[C@@H](C2CC2)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259225 179258603 /nfs/dbraw/zinc/25/86/03/179258603.db2.gz OLRRCYQUADKSIX-OIISXLGYSA-N 1 3 279.472 2.037 10 0 CEAEHO CC(C)[C@@H]1CN[C@@H](C2CC2)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259225 179258604 /nfs/dbraw/zinc/25/86/04/179258604.db2.gz OLRRCYQUADKSIX-OIISXLGYSA-N 1 3 279.472 2.037 10 0 CEAEHO CC[C@@H]1C[N@H+](CCc2ccc(OC)cc2)CCCN1 ZINC000086269445 179262262 /nfs/dbraw/zinc/26/22/62/179262262.db2.gz AIIJNTHNQMZTCZ-OAHLLOKOSA-N 1 3 262.397 2.312 10 0 CEAEHO CC[C@@H]1C[N@@H+](CCc2ccc(OC)cc2)CCCN1 ZINC000086269445 179262265 /nfs/dbraw/zinc/26/22/65/179262265.db2.gz AIIJNTHNQMZTCZ-OAHLLOKOSA-N 1 3 262.397 2.312 10 0 CEAEHO CCN1CCC[C@@H]([N@@H+]2CCCNC3(CCCC3)C2)C1 ZINC000086289424 179264918 /nfs/dbraw/zinc/26/49/18/179264918.db2.gz UDQVSOHCKHEPTN-OAHLLOKOSA-N 1 3 265.445 2.079 10 0 CEAEHO CCN1CCC[C@@H]([N@H+]2CCCNC3(CCCC3)C2)C1 ZINC000086289424 179264919 /nfs/dbraw/zinc/26/49/19/179264919.db2.gz UDQVSOHCKHEPTN-OAHLLOKOSA-N 1 3 265.445 2.079 10 0 CEAEHO CC(C)[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1CC1CCN(C)CC1 ZINC000086258991 179256612 /nfs/dbraw/zinc/25/66/12/179256612.db2.gz KIDSLTRTDYUILB-MSOLQXFVSA-N 1 3 293.499 2.427 10 0 CEAEHO CC(C)[C@H]1CN[C@](C)(C2CC2)C[N@H+]1CC1CCN(C)CC1 ZINC000086258991 179256614 /nfs/dbraw/zinc/25/66/14/179256614.db2.gz KIDSLTRTDYUILB-MSOLQXFVSA-N 1 3 293.499 2.427 10 0 CEAEHO CN[C@H]1CCCc2sc(N3CCC([NH+](C)C)CC3)nc21 ZINC000086442781 179293870 /nfs/dbraw/zinc/29/38/70/179293870.db2.gz WIOOZIOLFWHTGL-LBPRGKRZSA-N 1 3 294.468 2.270 10 0 CEAEHO CCN1CCC[C@@](CN)([N@H+](CC(C)C)C2CC2)CC1 ZINC000086848076 179356782 /nfs/dbraw/zinc/35/67/82/179356782.db2.gz DYIZYSRXZGWDAZ-MRXNPFEDSA-N 1 3 267.461 2.310 10 0 CEAEHO CCN1CCC[C@@](CN)([N@@H+](CC(C)C)C2CC2)CC1 ZINC000086848076 179356784 /nfs/dbraw/zinc/35/67/84/179356784.db2.gz DYIZYSRXZGWDAZ-MRXNPFEDSA-N 1 3 267.461 2.310 10 0 CEAEHO C[N@@H+]1CCC[C@H](N2CCNCc3ccccc32)CC1 ZINC000086833509 179349833 /nfs/dbraw/zinc/34/98/33/179349833.db2.gz JHLUUDIQEWEIIA-HNNXBMFYSA-N 1 3 259.397 2.081 10 0 CEAEHO C[N@H+]1CCC[C@H](N2CCNCc3ccccc32)CC1 ZINC000086833509 179349836 /nfs/dbraw/zinc/34/98/36/179349836.db2.gz JHLUUDIQEWEIIA-HNNXBMFYSA-N 1 3 259.397 2.081 10 0 CEAEHO CCN1CCC[C@@H]([NH2+]C2CCN(C(=O)C(C)C)CC2)CC1 ZINC000086840389 179351284 /nfs/dbraw/zinc/35/12/84/179351284.db2.gz HZDXCMZGWILONL-OAHLLOKOSA-N 1 3 295.471 2.097 10 0 CEAEHO CC(C)N1CCC[C@@H]([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000086840335 179351356 /nfs/dbraw/zinc/35/13/56/179351356.db2.gz AHVJIPSJLXYKBQ-OAHLLOKOSA-N 1 3 279.472 2.466 10 0 CEAEHO CCCN1CCC[C@@H]([NH2+]CCc2cccnc2)CC1 ZINC000086840928 179352784 /nfs/dbraw/zinc/35/27/84/179352784.db2.gz NUDNULNALDYOEY-MRXNPFEDSA-N 1 3 261.413 2.478 10 0 CEAEHO CCC[N@@H+]1CCC[C@@H](NCCc2cccnc2)CC1 ZINC000086840928 179352786 /nfs/dbraw/zinc/35/27/86/179352786.db2.gz NUDNULNALDYOEY-MRXNPFEDSA-N 1 3 261.413 2.478 10 0 CEAEHO CCC[N@H+]1CCC[C@@H](NCCc2cccnc2)CC1 ZINC000086840928 179352788 /nfs/dbraw/zinc/35/27/88/179352788.db2.gz NUDNULNALDYOEY-MRXNPFEDSA-N 1 3 261.413 2.478 10 0 CEAEHO CCC[N@@H+]1CCC[C@H](NCCCC(=O)OCC)CC1 ZINC000086845745 179355448 /nfs/dbraw/zinc/35/54/48/179355448.db2.gz PJHKRZOVWRMSON-AWEZNQCLSA-N 1 3 270.417 2.184 10 0 CEAEHO CCC[N@H+]1CCC[C@H](NCCCC(=O)OCC)CC1 ZINC000086845745 179355449 /nfs/dbraw/zinc/35/54/49/179355449.db2.gz PJHKRZOVWRMSON-AWEZNQCLSA-N 1 3 270.417 2.184 10 0 CEAEHO CCCN1CCC[C@H]([NH2+]CCCC(=O)OCC)CC1 ZINC000086845745 179355451 /nfs/dbraw/zinc/35/54/51/179355451.db2.gz PJHKRZOVWRMSON-AWEZNQCLSA-N 1 3 270.417 2.184 10 0 CEAEHO CCN1CCC[C@@H]([NH2+]CCc2cscn2)CC1 ZINC000086845131 179355479 /nfs/dbraw/zinc/35/54/79/179355479.db2.gz NVRRTJDBBBVHTF-GFCCVEGCSA-N 1 3 253.415 2.150 10 0 CEAEHO CC[N@@H+]1CCC[C@@H](NCCc2cscn2)CC1 ZINC000086845131 179355480 /nfs/dbraw/zinc/35/54/80/179355480.db2.gz NVRRTJDBBBVHTF-GFCCVEGCSA-N 1 3 253.415 2.150 10 0 CEAEHO CC[N@H+]1CCC[C@@H](NCCc2cscn2)CC1 ZINC000086845131 179355481 /nfs/dbraw/zinc/35/54/81/179355481.db2.gz NVRRTJDBBBVHTF-GFCCVEGCSA-N 1 3 253.415 2.150 10 0 CEAEHO C[C@@H]1CCC[C@@](CN)([N@H+](C)C[C@@H]2CCN(C)C2)CC1 ZINC000086891418 179366021 /nfs/dbraw/zinc/36/60/21/179366021.db2.gz PPJKADDOCRUZCF-BZUAXINKSA-N 1 3 267.461 2.168 10 0 CEAEHO C[C@@H]1CCC[C@@](CN)([N@@H+](C)C[C@@H]2CCN(C)C2)CC1 ZINC000086891418 179366022 /nfs/dbraw/zinc/36/60/22/179366022.db2.gz PPJKADDOCRUZCF-BZUAXINKSA-N 1 3 267.461 2.168 10 0 CEAEHO C[C@@H]1CCC[C@@](CN)([N@@H+]2CCC[C@@H]2CN(C)C)CC1 ZINC000086891309 179366272 /nfs/dbraw/zinc/36/62/72/179366272.db2.gz OCXUTLUPSKDHCL-BZUAXINKSA-N 1 3 267.461 2.310 10 0 CEAEHO C[C@@H]1CCC[C@@](CN)([N@H+]2CCC[C@@H]2CN(C)C)CC1 ZINC000086891309 179366274 /nfs/dbraw/zinc/36/62/74/179366274.db2.gz OCXUTLUPSKDHCL-BZUAXINKSA-N 1 3 267.461 2.310 10 0 CEAEHO C[C@H](CCC[C@H](C)[NH3+])C(=O)NCCN1CCCCCC1 ZINC000087698846 179472660 /nfs/dbraw/zinc/47/26/60/179472660.db2.gz QKTWDTBCIFIHNG-CABCVRRESA-N 1 3 283.460 2.132 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[NH2+]Cc1cc(C)c(C)s1 ZINC000090567190 180006266 /nfs/dbraw/zinc/00/62/66/180006266.db2.gz CLNFNXBAMHNIKI-DZGCQCFKSA-N 1 3 282.453 2.469 10 0 CEAEHO C[C@@H]1CC[C@@H](C[NH3+])CN1C[C@@H]1Cc2ccccc2O1 ZINC000090875336 180050633 /nfs/dbraw/zinc/05/06/33/180050633.db2.gz JRJMFLKFDWVOHM-IPYPFGDCSA-N 1 3 260.381 2.049 10 0 CEAEHO C[NH2+][C@H](C)C1CCN(C[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090878937 180053260 /nfs/dbraw/zinc/05/32/60/180053260.db2.gz XFAGXBIRFXFDNF-MLGOLLRUSA-N 1 3 292.398 2.449 10 0 CEAEHO C[NH+](C)CC(C)(C)CNC[C@@H]1Cc2cc(F)ccc2O1 ZINC000090891897 180053523 /nfs/dbraw/zinc/05/35/23/180053523.db2.gz YQJMFRIQPMUDRI-AWEZNQCLSA-N 1 3 280.387 2.307 10 0 CEAEHO C[N@@H+]1CCC[C@H](CNC[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090892553 180054079 /nfs/dbraw/zinc/05/40/79/180054079.db2.gz BHCDSBNGQNSXOT-DOMZBBRYSA-N 1 3 278.371 2.061 10 0 CEAEHO C[N@H+]1CCC[C@H](CNC[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090892553 180054080 /nfs/dbraw/zinc/05/40/80/180054080.db2.gz BHCDSBNGQNSXOT-DOMZBBRYSA-N 1 3 278.371 2.061 10 0 CEAEHO C[N@@H+]1CC[C@H](CNC[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000090903685 180060287 /nfs/dbraw/zinc/06/02/87/180060287.db2.gz NRIHCBQEPNRKOO-RISCZKNCSA-N 1 3 280.799 2.185 10 0 CEAEHO C[N@H+]1CC[C@H](CNC[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000090903685 180060290 /nfs/dbraw/zinc/06/02/90/180060290.db2.gz NRIHCBQEPNRKOO-RISCZKNCSA-N 1 3 280.799 2.185 10 0 CEAEHO CC(C)N1CC[C@H](C[NH2+]Cc2sccc2N)C1 ZINC000090960381 180075422 /nfs/dbraw/zinc/07/54/22/180075422.db2.gz AXBZZJDWWLNVRB-LLVKDONJSA-N 1 3 253.415 2.150 10 0 CEAEHO CC(=O)Nc1ccccc1C[NH2+]CC(C)(C)CN(C)C ZINC000090960991 180076496 /nfs/dbraw/zinc/07/64/96/180076496.db2.gz STSGBDCXZUKCSZ-UHFFFAOYSA-N 1 3 277.412 2.322 10 0 CEAEHO CC(C)CNCc1nccn1CC[NH+]1CCCCC1 ZINC000091002736 180084216 /nfs/dbraw/zinc/08/42/16/180084216.db2.gz HKVQTILKLLBIPB-UHFFFAOYSA-N 1 3 264.417 2.115 10 0 CEAEHO COc1ccc(CN2CCC(C[NH3+])(SC)CC2)cc1 ZINC000091472988 180165558 /nfs/dbraw/zinc/16/55/58/180165558.db2.gz XTOGDLLZOTXSQY-UHFFFAOYSA-N 1 3 280.437 2.352 10 0 CEAEHO CC[NH2+]CC1(CN(C)CC2CC(O)C2)CCCCC1 ZINC000091490749 180169557 /nfs/dbraw/zinc/16/95/57/180169557.db2.gz PETVHMBUOQEQKN-UHFFFAOYSA-N 1 3 268.445 2.249 10 0 CEAEHO CCNCC1(C[N@H+](C)CC2CC(O)C2)CCCCC1 ZINC000091490749 180169559 /nfs/dbraw/zinc/16/95/59/180169559.db2.gz PETVHMBUOQEQKN-UHFFFAOYSA-N 1 3 268.445 2.249 10 0 CEAEHO CCNCC1(C[N@@H+](C)CC2CC(O)C2)CCCCC1 ZINC000091490749 180169560 /nfs/dbraw/zinc/16/95/60/180169560.db2.gz PETVHMBUOQEQKN-UHFFFAOYSA-N 1 3 268.445 2.249 10 0 CEAEHO CCC(CC)(C[NH2+]C(C)C)CN(C)CC1CC(O)C1 ZINC000091499467 180173935 /nfs/dbraw/zinc/17/39/35/180173935.db2.gz VHBWKUWRGDIIIZ-UHFFFAOYSA-N 1 3 270.461 2.494 10 0 CEAEHO C[NH+](C)[C@@H]1CCCN([C@@H](CN)c2ccc(Cl)s2)C1 ZINC000091394402 180146396 /nfs/dbraw/zinc/14/63/96/180146396.db2.gz SLECYVZKBGWSRI-MNOVXSKESA-N 1 3 287.860 2.427 10 0 CEAEHO CC[NH+](CC)[C@@](C)(CC)[C@@H](Cc1ccnc(N)c1)NC ZINC000091599124 180202718 /nfs/dbraw/zinc/20/27/18/180202718.db2.gz ATAHKMMZECLDBV-ZBFHGGJFSA-N 1 3 278.444 2.305 10 0 CEAEHO CC[C@](C)([C@H](N)Cc1cnccc1N)[NH+]1CCCCC1 ZINC000091609046 180205029 /nfs/dbraw/zinc/20/50/29/180205029.db2.gz LSSQHKXFLOOOAX-HZPDHXFCSA-N 1 3 276.428 2.188 10 0 CEAEHO CC[C@](C)([C@H]([NH3+])Cc1cnccc1N)N1CCCCC1 ZINC000091609046 180205031 /nfs/dbraw/zinc/20/50/31/180205031.db2.gz LSSQHKXFLOOOAX-HZPDHXFCSA-N 1 3 276.428 2.188 10 0 CEAEHO C[NH2+][C@@H]([C@@H]1CCOC1)C1(N2CCCC2)CCCC1 ZINC000091640856 180213382 /nfs/dbraw/zinc/21/33/82/180213382.db2.gz ZABQPVOOKBPTSG-KGLIPLIRSA-N 1 3 252.402 2.020 10 0 CEAEHO CCN[C@H](CC[NH+](CC)CC)Cc1ncnn1CC(C)C ZINC000091716359 180232108 /nfs/dbraw/zinc/23/21/08/180232108.db2.gz CROJKIOOLRARNG-OAHLLOKOSA-N 1 3 295.475 2.187 10 0 CEAEHO CC[NH2+][C@H](CCN(CC)CC)Cc1ncnn1CC(C)C ZINC000091716359 180232109 /nfs/dbraw/zinc/23/21/09/180232109.db2.gz CROJKIOOLRARNG-OAHLLOKOSA-N 1 3 295.475 2.187 10 0 CEAEHO CN([C@H]1COc2cc(O)ccc21)C1CCC([NH3+])CC1 ZINC000091843754 180269168 /nfs/dbraw/zinc/26/91/68/180269168.db2.gz HOFHJGYEYRFIAK-MGULZYLOSA-N 1 3 262.353 2.027 10 0 CEAEHO C[NH2+]C1CCC(N(C)[C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000091870563 180276884 /nfs/dbraw/zinc/27/68/84/180276884.db2.gz GMXULRMLHLCJPK-QQFBHYJXSA-N 1 3 295.471 2.240 10 0 CEAEHO Cc1ccc(O)c(CN(C)[C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000091996217 180301758 /nfs/dbraw/zinc/30/17/58/180301758.db2.gz ZOZGXGWBIPMCGJ-TZMCWYRMSA-N 1 3 263.385 2.045 10 0 CEAEHO c1ccc(CN2CCC(NC3=[NH+]CCC3)CC2)cc1 ZINC000105690690 186069120 /nfs/dbraw/zinc/06/91/20/186069120.db2.gz DUDDAPYXJMSJTO-UHFFFAOYSA-N 1 3 257.381 2.433 10 0 CEAEHO C[C@H]1C[NH+](CCC(=O)Nc2ccccc2CN)C[C@@H]1C ZINC000092082139 180319895 /nfs/dbraw/zinc/31/98/95/180319895.db2.gz LCFCJPOCONEKMJ-STQMWFEESA-N 1 3 275.396 2.062 10 0 CEAEHO C[C@H]1C[N@H+](CCCC(=O)Nc2ccccc2CN)C[C@H]1C ZINC000092082048 180319942 /nfs/dbraw/zinc/31/99/42/180319942.db2.gz JMNXXPZEOATMSG-OKILXGFUSA-N 1 3 289.423 2.452 10 0 CEAEHO C[C@H]1C[N@@H+](CCCC(=O)Nc2ccccc2CN)C[C@H]1C ZINC000092082048 180319944 /nfs/dbraw/zinc/31/99/44/180319944.db2.gz JMNXXPZEOATMSG-OKILXGFUSA-N 1 3 289.423 2.452 10 0 CEAEHO CCCCC[C@](C)(C[NH3+])N1CCN(CCC)CC1 ZINC000106025511 186098363 /nfs/dbraw/zinc/09/83/63/186098363.db2.gz NSAIOWDHSHIKRJ-OAHLLOKOSA-N 1 3 255.450 2.312 10 0 CEAEHO CC(C)[C@H]1CSC(NC[C@@H](C)C[NH+]2CCCC2)=N1 ZINC000092402664 180378009 /nfs/dbraw/zinc/37/80/09/180378009.db2.gz BOGISNPXHNDSHJ-CHWSQXEVSA-N 1 3 269.458 2.435 10 0 CEAEHO CCCNc1ccnc(CN(C)CCC[NH+](C)C)c1 ZINC000092419248 180382676 /nfs/dbraw/zinc/38/26/76/180382676.db2.gz DDZNAQWQRLFVHA-UHFFFAOYSA-N 1 3 264.417 2.287 10 0 CEAEHO CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(C)cc2)CCN1C ZINC000107906984 186197241 /nfs/dbraw/zinc/19/72/41/186197241.db2.gz YXYRBVBYUXMPCO-CVEARBPZSA-N 1 3 261.413 2.021 10 0 CEAEHO CCOC(=O)C1CCN([C@@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000109603637 186267098 /nfs/dbraw/zinc/26/70/98/186267098.db2.gz SJPGBTGEOKZXQE-HUUCEWRRSA-N 1 3 282.428 2.169 10 0 CEAEHO CCOC(=O)C1CC[NH+]([C@@H]2CCCCC[C@@H]2CN)CC1 ZINC000109603637 186267099 /nfs/dbraw/zinc/26/70/99/186267099.db2.gz SJPGBTGEOKZXQE-HUUCEWRRSA-N 1 3 282.428 2.169 10 0 CEAEHO CN([C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000110926424 186334045 /nfs/dbraw/zinc/33/40/45/186334045.db2.gz YYNBQKSWHOOWKA-ZWKOTPCHSA-N 1 3 287.451 2.335 10 0 CEAEHO CCN([C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000110936615 186334963 /nfs/dbraw/zinc/33/49/63/186334963.db2.gz VMNQQSFZQQCBFM-QZTJIDSGSA-N 1 3 287.451 2.335 10 0 CEAEHO COc1ccc([C@H]([C@H](C)[NH3+])N2CCN(C)C(C)(C)C2)cc1 ZINC000110704701 186314673 /nfs/dbraw/zinc/31/46/73/186314673.db2.gz VDKHMLKETKHVBN-BBRMVZONSA-N 1 3 291.439 2.110 10 0 CEAEHO Cc1cc([C@@H](C[NH3+])N2CCN(C)C(C)(C)C2)c(C)s1 ZINC000110711424 186315382 /nfs/dbraw/zinc/31/53/82/186315382.db2.gz SUJWYNGZGAAXHF-CQSZACIVSA-N 1 3 281.469 2.391 10 0 CEAEHO CCN1CCN([C@@H](C[NH3+])c2ccc(F)c(C)c2)C[C@@H]1C ZINC000110708697 186316682 /nfs/dbraw/zinc/31/66/82/186316682.db2.gz HUHXECVPSYMULR-BBRMVZONSA-N 1 3 279.403 2.160 10 0 CEAEHO C[NH+](C)CC1CCN([C@H](CN)c2cccc(F)c2F)CC1 ZINC000111039672 186347182 /nfs/dbraw/zinc/34/71/82/186347182.db2.gz DCAWAZKCMLPOMX-OAHLLOKOSA-N 1 3 297.393 2.238 10 0 CEAEHO CCNCc1cc(CN(C)CCC[NH+](C)C)c(C)o1 ZINC000111150153 186360863 /nfs/dbraw/zinc/36/08/63/186360863.db2.gz UGUGZWLQAWLANY-UHFFFAOYSA-N 1 3 267.417 2.081 10 0 CEAEHO Cc1oc(CN(C)CCN(C)C)cc1C[NH2+]CC(C)C ZINC000111149865 186361027 /nfs/dbraw/zinc/36/10/27/186361027.db2.gz IPHNZSBSYOPLKN-UHFFFAOYSA-N 1 3 281.444 2.327 10 0 CEAEHO CCOCCN(CC)CCOc1ccc(C[NH2+]C)cc1 ZINC000111124047 186355077 /nfs/dbraw/zinc/35/50/77/186355077.db2.gz IAKLTACBJGCDDA-UHFFFAOYSA-N 1 3 280.412 2.143 10 0 CEAEHO CC[C@@H]([NH3+])[C@@H](c1cccc(F)c1)N(C)CCN(C)C ZINC000111129996 186355922 /nfs/dbraw/zinc/35/59/22/186355922.db2.gz XKOQBFSEBYUZBG-HUUCEWRRSA-N 1 3 267.392 2.098 10 0 CEAEHO C[C@@H](C[C@H](C[NH3+])N(C)CCN(C)C)c1ccccc1 ZINC000111132945 186355946 /nfs/dbraw/zinc/35/59/46/186355946.db2.gz VLGJJNFLIHZGHL-GOEBONIOSA-N 1 3 263.429 2.001 10 0 CEAEHO CN(CC[NH+](C)C)c1ccc(C(F)(F)F)cc1CN ZINC000111129250 186356647 /nfs/dbraw/zinc/35/66/47/186356647.db2.gz VVVCIYSIMKIQTQ-UHFFFAOYSA-N 1 3 275.318 2.162 10 0 CEAEHO CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N(C)CCN(C)C ZINC000111134626 186357684 /nfs/dbraw/zinc/35/76/84/186357684.db2.gz JBARFBNHAHLFNR-ILXRZTDVSA-N 1 3 255.450 2.037 10 0 CEAEHO C[NH2+][C@@H](CCN(C)CCN(C)C)c1ccccc1C ZINC000111146966 186358713 /nfs/dbraw/zinc/35/87/13/186358713.db2.gz SBRPGUUBRCVPIS-INIZCTEOSA-N 1 3 263.429 2.139 10 0 CEAEHO CCC[NH2+][C@@H](CCN(C)CCN(C)C)C(C)(C)C ZINC000111146789 186358902 /nfs/dbraw/zinc/35/89/02/186358902.db2.gz KHOITNLTHGXSPZ-AWEZNQCLSA-N 1 3 257.466 2.284 10 0 CEAEHO CN(CCC[NH+](C)C)Cc1c2ccccc2oc1CN ZINC000111150140 186360252 /nfs/dbraw/zinc/36/02/52/186360252.db2.gz LUFNMCZDSIGDLZ-UHFFFAOYSA-N 1 3 275.396 2.275 10 0 CEAEHO Cc1cccc(C[N@@H+](C)C[C@@]2(CN)CCCOC2)c1 ZINC000111328775 186399919 /nfs/dbraw/zinc/39/99/19/186399919.db2.gz WZBVZAINFVMZFZ-INIZCTEOSA-N 1 3 262.397 2.182 10 0 CEAEHO Cc1cccc(C[N@H+](C)C[C@@]2(CN)CCCOC2)c1 ZINC000111328775 186399921 /nfs/dbraw/zinc/39/99/21/186399921.db2.gz WZBVZAINFVMZFZ-INIZCTEOSA-N 1 3 262.397 2.182 10 0 CEAEHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCC[C@H](O)C1 ZINC000093515576 539851493 /nfs/dbraw/zinc/85/14/93/539851493.db2.gz UWTPUWTWEDSHBP-BARDWOONSA-N 1 3 254.418 2.190 10 0 CEAEHO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)C1 ZINC000250808533 539968851 /nfs/dbraw/zinc/96/88/51/539968851.db2.gz CWOZNEXTFRSPGE-XFIYOXNOSA-N 1 3 266.429 2.190 10 0 CEAEHO O[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000250808533 539968853 /nfs/dbraw/zinc/96/88/53/539968853.db2.gz CWOZNEXTFRSPGE-XFIYOXNOSA-N 1 3 266.429 2.190 10 0 CEAEHO CCO[C@@H]1CN(C[C@H]2CCCCC2(F)F)C[C@H]1C[NH3+] ZINC000405316047 540134343 /nfs/dbraw/zinc/13/43/43/540134343.db2.gz WUFYWTKKLIJVBG-JHJVBQTASA-N 1 3 276.371 2.108 10 0 CEAEHO C[C@H](COCc1ccccc1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000390517799 540390618 /nfs/dbraw/zinc/39/06/18/540390618.db2.gz DOKJSBAJAKZJOK-VNQPRFMTSA-N 1 3 262.397 2.451 10 0 CEAEHO C[C@H]1C[N@H+](CCCOCc2ccccc2)C[C@H]1CN ZINC000631838849 367579334 /nfs/dbraw/zinc/57/93/34/367579334.db2.gz WDJCWRDVLLRQJD-GOEBONIOSA-N 1 3 262.397 2.120 10 0 CEAEHO C[C@H]1C[N@@H+](CCCOCc2ccccc2)C[C@H]1CN ZINC000631838849 367579337 /nfs/dbraw/zinc/57/93/37/367579337.db2.gz WDJCWRDVLLRQJD-GOEBONIOSA-N 1 3 262.397 2.120 10 0 CEAEHO CCOc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261588178 371665444 /nfs/dbraw/zinc/66/54/44/371665444.db2.gz KAWQKENHNMRJPA-CWRNSKLLSA-N 1 3 260.381 2.254 10 0 CEAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(-n4ccnc4)cc3)C[C@H]12 ZINC000261601286 371672219 /nfs/dbraw/zinc/67/22/19/371672219.db2.gz BTJFFPKXIZKUDZ-BHYGNILZSA-N 1 3 282.391 2.041 10 0 CEAEHO C[C@@H]1[C@H](N[C@@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000261549254 371643995 /nfs/dbraw/zinc/64/39/95/371643995.db2.gz OKYAYGMRFVEIPI-KBAYOESNSA-N 1 3 287.451 2.381 10 0 CEAEHO CCOCCN1CCN(c2cc[nH+]c(C)c2)C[C@@H]1CC ZINC000274320572 373878088 /nfs/dbraw/zinc/87/80/88/373878088.db2.gz CQJFMKNLZIDOGC-HNNXBMFYSA-N 1 3 277.412 2.327 10 0 CEAEHO FC(F)(F)C1CCC(C[NH2+][C@@H]2CCNC2)CC1 ZINC000414882967 376011042 /nfs/dbraw/zinc/01/10/42/376011042.db2.gz NDGDRECCLGJVDP-VQXHTEKXSA-N 1 3 250.308 2.307 10 0 CEAEHO C1CCC2(C1)[C@H]([NH2+][C@@H]1CCCNCC1)[C@@H]1CCO[C@H]12 ZINC000423021596 376936769 /nfs/dbraw/zinc/93/67/69/376936769.db2.gz CLIQTDUMWUUKPR-LXTVHRRPSA-N 1 3 264.413 2.066 10 0 CEAEHO C[C@H](NCCN(C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000520793838 379503995 /nfs/dbraw/zinc/50/39/95/379503995.db2.gz LMRGSNMODHOYFS-DOTOQJQBSA-N 1 3 275.440 2.096 10 0 CEAEHO [NH3+][C@@H]1CCC[C@@H]1CCN1CCN(c2ccccc2)CC1 ZINC000093551576 135081833 /nfs/dbraw/zinc/08/18/33/135081833.db2.gz SUJFKORTSBVGFC-NVXWUHKLSA-N 1 3 273.424 2.326 10 0 CEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC000247337529 394529495 /nfs/dbraw/zinc/52/94/95/394529495.db2.gz NIOYDKZMOLYKFX-PMPSAXMXSA-N 1 3 295.471 2.096 10 0 CEAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC000247337529 394529499 /nfs/dbraw/zinc/52/94/99/394529499.db2.gz NIOYDKZMOLYKFX-PMPSAXMXSA-N 1 3 295.471 2.096 10 0 CEAEHO [NH3+]C[C@@H]1CN(C[C@H]2CCCCO2)C[C@H]1c1ccccc1 ZINC000328347150 394552231 /nfs/dbraw/zinc/55/22/31/394552231.db2.gz MGKJZAWSOGTLJX-ZACQAIPSSA-N 1 3 274.408 2.230 10 0 CEAEHO CC(C)O[C@@H]1C[C@H](NC[C@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000185204510 395278429 /nfs/dbraw/zinc/27/84/29/395278429.db2.gz KJZAXTYXQYOLTI-HRCADAONSA-N 1 3 298.471 2.015 10 0 CEAEHO CC(C)C[C@@H](C[NH2+][C@H](C)[C@@H]1CCCN(C)C1)N(C)C ZINC000037221707 173041923 /nfs/dbraw/zinc/04/19/23/173041923.db2.gz XAWYRTURERWXRS-OAGGEKHMSA-N 1 3 269.477 2.283 10 0 CEAEHO CC(C)Oc1cccc([C@H](C[NH3+])N2CCCN(C)CC2)c1 ZINC000040640965 174364487 /nfs/dbraw/zinc/36/44/87/174364487.db2.gz KADQUTRUBBJRDB-KRWDZBQOSA-N 1 3 291.439 2.111 10 0 CEAEHO CC[C@@H](N)[C@@H](c1ccco1)N1CCC([NH+](C)C)CC1 ZINC000043335169 175011163 /nfs/dbraw/zinc/01/11/63/175011163.db2.gz PKEXNEJEJOWQTP-HIFRSBDPSA-N 1 3 265.401 2.084 10 0 CEAEHO CC[C@@H](N)[C@H](c1ccco1)N1CCC([NH+](C)C)CC1 ZINC000043335173 175011300 /nfs/dbraw/zinc/01/13/00/175011300.db2.gz PKEXNEJEJOWQTP-UKRRQHHQSA-N 1 3 265.401 2.084 10 0 CEAEHO Cc1ccc([C@H]([C@H](C)N)N2CCC([NH+](C)C)CC2)o1 ZINC000043364375 175024773 /nfs/dbraw/zinc/02/47/73/175024773.db2.gz PNIGWRCDUFUCMQ-WFASDCNBSA-N 1 3 265.401 2.002 10 0 CEAEHO CCCN1CCN([C@@H]2CCCCCC[C@@H]2[NH2+]C)CC1 ZINC000043805266 175107615 /nfs/dbraw/zinc/10/76/15/175107615.db2.gz REDYTRDVNYKNBM-JKSUJKDBSA-N 1 3 267.461 2.325 10 0 CEAEHO CCC[NH2+][C@H]1c2ccccc2C[C@@H]1N1CCCN(C)CC1 ZINC000043818566 175114152 /nfs/dbraw/zinc/11/41/52/175114152.db2.gz APBRFWDMSNIVBF-ROUUACIJSA-N 1 3 287.451 2.290 10 0 CEAEHO CCC[NH2+][C@@H]1CCCC[C@@H]1N1CCN(C(C)C)CC1 ZINC000043897207 175120093 /nfs/dbraw/zinc/12/00/93/175120093.db2.gz WYRKVOVEBFGDFA-CVEARBPZSA-N 1 3 267.461 2.323 10 0 CEAEHO C[C@H](CNC1=[NH+]C[C@H](c2ccccc2)S1)N(C)C ZINC000045108732 175308777 /nfs/dbraw/zinc/30/87/77/175308777.db2.gz DJOGOWISPFTNJH-DGCLKSJQSA-N 1 3 263.410 2.370 10 0 CEAEHO CCN[C@](C)(CCCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379620 175368671 /nfs/dbraw/zinc/36/86/71/175368671.db2.gz IBLIUIHYCZUBQN-OFQRWUPVSA-N 1 3 283.460 2.273 10 0 CEAEHO CCN[C@@](C)(CCCC[N@@H+]1CCCC[C@@H]1CC)C(N)=O ZINC000045384159 175370645 /nfs/dbraw/zinc/37/06/45/175370645.db2.gz WYEIHFLHMHJENA-HOCLYGCPSA-N 1 3 283.460 2.275 10 0 CEAEHO CCN[C@@](C)(CCCC[N@H+]1CCCC[C@@H]1CC)C(N)=O ZINC000045384159 175370647 /nfs/dbraw/zinc/37/06/47/175370647.db2.gz WYEIHFLHMHJENA-HOCLYGCPSA-N 1 3 283.460 2.275 10 0 CEAEHO c1ccc2c(c1)CCO[C@H]2CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000071090729 176031616 /nfs/dbraw/zinc/03/16/16/176031616.db2.gz NXFSQECFJVEKRN-KSSFIOAISA-N 1 3 286.419 2.374 10 0 CEAEHO c1ccc2c(c1)CCO[C@H]2CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000071090729 176031617 /nfs/dbraw/zinc/03/16/17/176031617.db2.gz NXFSQECFJVEKRN-KSSFIOAISA-N 1 3 286.419 2.374 10 0 CEAEHO c1ccc2c(c1)CCO[C@H]2C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000071090729 176031619 /nfs/dbraw/zinc/03/16/19/176031619.db2.gz NXFSQECFJVEKRN-KSSFIOAISA-N 1 3 286.419 2.374 10 0 CEAEHO CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](CN)c1c(F)cccc1Cl ZINC000071188493 176062668 /nfs/dbraw/zinc/06/26/68/176062668.db2.gz MQPXXONSEYCVPG-RISCZKNCSA-N 1 3 299.821 2.362 10 0 CEAEHO CN(C[C@@H]1CC[N@@H+](C)C1)[C@@H](CN)c1c(F)cccc1Cl ZINC000071188493 176062669 /nfs/dbraw/zinc/06/26/69/176062669.db2.gz MQPXXONSEYCVPG-RISCZKNCSA-N 1 3 299.821 2.362 10 0 CEAEHO C[NH2+][C@H](C)c1sc(N(C)C[C@@H]2CCN(C)C2)nc1C ZINC000071192494 176074567 /nfs/dbraw/zinc/07/45/67/176074567.db2.gz DHTQTFLPWFRAFL-ZYHUDNBSSA-N 1 3 282.457 2.120 10 0 CEAEHO C[N@H+](CCNC1=NC(C)(C)CS1)C1CCCC1 ZINC000071377723 176143004 /nfs/dbraw/zinc/14/30/04/176143004.db2.gz VFHWVJADVQAIIU-UHFFFAOYSA-N 1 3 255.431 2.332 10 0 CEAEHO C[N@@H+](CCNC1=NC(C)(C)CS1)C1CCCC1 ZINC000071377723 176143006 /nfs/dbraw/zinc/14/30/06/176143006.db2.gz VFHWVJADVQAIIU-UHFFFAOYSA-N 1 3 255.431 2.332 10 0 CEAEHO CC(C)NC(=[NH2+])NC(=N)Nc1cccc(Cl)c1 ZINC000077285791 177248702 /nfs/dbraw/zinc/24/87/02/177248702.db2.gz BFYUUFXHCWYHFE-UHFFFAOYSA-N 1 3 253.737 2.209 10 0 in-vitro CEAEHO O[C@@H]1CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000424335017 271047389 /nfs/dbraw/zinc/04/73/89/271047389.db2.gz WGDMJXCMZQWAJA-PYWTVGQWSA-N 1 3 286.419 2.295 10 0 CEAEHO O[C@@H]1CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000424335017 271047391 /nfs/dbraw/zinc/04/73/91/271047391.db2.gz WGDMJXCMZQWAJA-PYWTVGQWSA-N 1 3 286.419 2.295 10 0 CEAEHO COCC[N@@H+]1CCN(c2ccnc3ccccc32)C[C@H]1C ZINC000174735325 274031162 /nfs/dbraw/zinc/03/11/62/274031162.db2.gz RXYFWVLPQIJLLS-CQSZACIVSA-N 1 3 285.391 2.392 10 0 CEAEHO COCC[N@H+]1CCN(c2ccnc3ccccc32)C[C@H]1C ZINC000174735325 274031164 /nfs/dbraw/zinc/03/11/64/274031164.db2.gz RXYFWVLPQIJLLS-CQSZACIVSA-N 1 3 285.391 2.392 10 0 CEAEHO COCCN1CCN(c2cc[nH+]c3ccccc32)C[C@H]1C ZINC000174735325 274031165 /nfs/dbraw/zinc/03/11/65/274031165.db2.gz RXYFWVLPQIJLLS-CQSZACIVSA-N 1 3 285.391 2.392 10 0 CEAEHO C[C@@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000400767030 278284196 /nfs/dbraw/zinc/28/41/96/278284196.db2.gz ZIFSOCWJOPTZAH-YQQAZPJKSA-N 1 3 275.440 2.095 10 0 CEAEHO Cc1ccc2nccc(N3CCO[C@@H](C[NH+](C)C)C3)c2c1 ZINC000185655223 281169572 /nfs/dbraw/zinc/16/95/72/281169572.db2.gz NLWGMSUFPCMIGF-AWEZNQCLSA-N 1 3 285.391 2.310 10 0 CEAEHO CC(C)C[NH2+]CC1(CN2CC[C@@H](C)C2)CCOCC1 ZINC000052182199 519742715 /nfs/dbraw/zinc/74/27/15/519742715.db2.gz CGHVENYWUJIVPX-OAHLLOKOSA-N 1 3 268.445 2.371 10 0 CEAEHO CC[NH2+][C@@H](CN1CCN(CC(C)C)CC1)C(C)(C)C ZINC000055079318 520100434 /nfs/dbraw/zinc/10/04/34/520100434.db2.gz MTTKYKDINHJYEL-HNNXBMFYSA-N 1 3 269.477 2.284 10 0 CEAEHO C([NH2+]C1CC1)C1(CN2CCCCC2)CCOCC1 ZINC000052180894 518396976 /nfs/dbraw/zinc/39/69/76/518396976.db2.gz JIIJJISMYVGLLH-UHFFFAOYSA-N 1 3 252.402 2.021 10 0 CEAEHO C(NC1CC1)C1(C[NH+]2CCCCC2)CCOCC1 ZINC000052180894 518396980 /nfs/dbraw/zinc/39/69/80/518396980.db2.gz JIIJJISMYVGLLH-UHFFFAOYSA-N 1 3 252.402 2.021 10 0 CEAEHO C1C[NH2+][C@@H]([C@H]2CCCN([C@@H]3CCCSC3)C2)C1 ZINC000061590657 518580334 /nfs/dbraw/zinc/58/03/34/518580334.db2.gz KVAOPPYOWDZIGK-BFHYXJOUSA-N 1 3 254.443 2.346 10 0 CEAEHO CC(C)(C)N1CCN([C@H](C[NH3+])CCc2ccccc2)CC1 ZINC000061624886 518714047 /nfs/dbraw/zinc/71/40/47/518714047.db2.gz DQKTXVHFEBLQNA-KRWDZBQOSA-N 1 3 289.467 2.363 10 0 CEAEHO CC(C)CN(CC[NH+](C)C)Cc1nc(NN)ccc1Cl ZINC000061631207 519716637 /nfs/dbraw/zinc/71/66/37/519716637.db2.gz PWXMELSPTFSRIW-UHFFFAOYSA-N 1 3 299.850 2.040 10 0 CEAEHO CC(C)CN1CCN(CC[NH2+][C@@H]2CCCC[C@@H]2C)CC1 ZINC000055076105 519726275 /nfs/dbraw/zinc/72/62/75/519726275.db2.gz MYLRSZHHZJSVND-DLBZAZTESA-N 1 3 281.488 2.428 10 0 CEAEHO CC(C)CN1CCN([C@H](C[NH3+])[C@H](C)c2ccccc2)CC1 ZINC000055078041 519727804 /nfs/dbraw/zinc/72/78/04/519727804.db2.gz RIQFCSWFXOTMAD-SJLPKXTDSA-N 1 3 289.467 2.391 10 0 CEAEHO CC(C)CN1CCN([C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000055079106 519728583 /nfs/dbraw/zinc/72/85/83/519728583.db2.gz DPHPCODUNLNUMY-HOTGVXAUSA-N 1 3 267.461 2.310 10 0 CEAEHO CC(C)CN1CCN(c2cc(Cl)ccc2C(N)=[NH2+])CC1 ZINC000062788998 519728598 /nfs/dbraw/zinc/72/85/98/519728598.db2.gz ZKDRSVUMLIDZCE-UHFFFAOYSA-N 1 3 294.830 2.402 10 0 CEAEHO CCCN1CCN([C@@H](CC)C[NH2+]C(C)(C)C)CC1 ZINC000052421779 519859406 /nfs/dbraw/zinc/85/94/06/519859406.db2.gz SMCJJNYMTDKRDA-AWEZNQCLSA-N 1 3 255.450 2.181 10 0 CEAEHO CCCN1CCN([C@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055022552 519859527 /nfs/dbraw/zinc/85/95/27/519859527.db2.gz ZQCBDBZRVPFBRT-OAHLLOKOSA-N 1 3 274.412 2.081 10 0 CEAEHO CCC[NH2+]Cc1ccc(OCCN(C)CCOC)cc1 ZINC000052572859 519952482 /nfs/dbraw/zinc/95/24/82/519952482.db2.gz PMVBTPBMTQRUOR-UHFFFAOYSA-N 1 3 280.412 2.143 10 0 CEAEHO CCNCc1ccccc1OCCOCCC[NH+](C)C ZINC000052672450 520010890 /nfs/dbraw/zinc/01/08/90/520010890.db2.gz SUQRKEDWHHKCTH-UHFFFAOYSA-N 1 3 280.412 2.143 10 0 CEAEHO CCNCc1occc1COCC[C@@H]1CCC[N@@H+]1C ZINC000052673279 520029371 /nfs/dbraw/zinc/02/93/71/520029371.db2.gz JRSCXZNMURDGBE-AWEZNQCLSA-N 1 3 266.385 2.390 10 0 CEAEHO CCNCc1occc1COCC[C@@H]1CCC[N@H+]1C ZINC000052673279 520029377 /nfs/dbraw/zinc/02/93/77/520029377.db2.gz JRSCXZNMURDGBE-AWEZNQCLSA-N 1 3 266.385 2.390 10 0 CEAEHO CCC[NH2+][C@H](CC)CN1CCN([C@@H](C)CC)CC1 ZINC000055065060 520067862 /nfs/dbraw/zinc/06/78/62/520067862.db2.gz ATKIASZSESJOOI-LSDHHAIUSA-N 1 3 255.450 2.181 10 0 CEAEHO CC[NH2+][C@@H]1CCC[C@@H]1CN1CCN(CC(C)C)CC1 ZINC000055081857 520118453 /nfs/dbraw/zinc/11/84/53/520118453.db2.gz GNTBBKYIAGSTPL-HZPDHXFCSA-N 1 3 267.461 2.038 10 0 CEAEHO CC[NH2+][C@H](C)CCCN1CCN(CC(C)C)CC1 ZINC000055078747 520172744 /nfs/dbraw/zinc/17/27/44/520172744.db2.gz JVSNFUSXQRAIOE-OAHLLOKOSA-N 1 3 255.450 2.038 10 0 CEAEHO CCC[C@@]1(C(=O)N[C@H](CC(C)C)CN(C)C)CCC[NH2+]C1 ZINC000062854557 520942702 /nfs/dbraw/zinc/94/27/02/520942702.db2.gz BRXCSDDYKRTCQK-NVXWUHKLSA-N 1 3 297.487 2.249 10 0 CEAEHO CCN(CC1CC1)[C@@]1(C[NH3+])CCN(Cc2ccccc2)C1 ZINC000069237473 520966061 /nfs/dbraw/zinc/96/60/61/520966061.db2.gz DKXNNTUTDZFWDC-GOSISDBHSA-N 1 3 287.451 2.322 10 0 CEAEHO CCC(C)(C)[NH2+]C[C@H](C)N1CCC[C@@H]1CN(C)C ZINC000061655138 521352821 /nfs/dbraw/zinc/35/28/21/521352821.db2.gz BDMSAPWBHKXCBK-UONOGXRCSA-N 1 3 255.450 2.179 10 0 CEAEHO CCC(CC)(C[NH2+]CC(C)C)CN1CC[C@@H](O)C1 ZINC000061711754 521439884 /nfs/dbraw/zinc/43/98/84/521439884.db2.gz YFBYLZJTXNIAHM-CQSZACIVSA-N 1 3 256.434 2.105 10 0 CEAEHO CCCN(CC[NH+](C)C)c1nc2c(cc1CN)CCCC2 ZINC000045661404 521658557 /nfs/dbraw/zinc/65/85/57/521658557.db2.gz RXHSIJHCQWVCHP-UHFFFAOYSA-N 1 3 290.455 2.197 10 0 CEAEHO C[NH+](C)CCOCc1csc(CNC(C)(C)C)n1 ZINC000052669400 521795121 /nfs/dbraw/zinc/79/51/21/521795121.db2.gz BNUIZXVLFCIGRU-UHFFFAOYSA-N 1 3 271.430 2.109 10 0 CEAEHO CNCC1(C[N@H+](C)C2CCCCC2)CCOCC1 ZINC000052181035 521966488 /nfs/dbraw/zinc/96/64/88/521966488.db2.gz ORRCMYJFAVMHQF-UHFFFAOYSA-N 1 3 254.418 2.267 10 0 CEAEHO CNCC1(C[N@@H+](C)C2CCCCC2)CCOCC1 ZINC000052181035 521966493 /nfs/dbraw/zinc/96/64/93/521966493.db2.gz ORRCMYJFAVMHQF-UHFFFAOYSA-N 1 3 254.418 2.267 10 0 CEAEHO C[NH2+]Cc1cc(CN2CCCSCC2)oc1C ZINC000052371034 522107927 /nfs/dbraw/zinc/10/79/27/522107927.db2.gz JFWXDNIAXPXXJB-UHFFFAOYSA-N 1 3 254.399 2.246 10 0 CEAEHO CC[C@@H](C)N1CCN(CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000055072407 522121715 /nfs/dbraw/zinc/12/17/15/522121715.db2.gz IFLQDAKJZHDISP-WBVHZDCISA-N 1 3 275.440 2.493 10 0 CEAEHO CC[C@@H](C)N1CCN(c2cc(C)ccc2C(N)=[NH2+])CC1 ZINC000055067189 522134860 /nfs/dbraw/zinc/13/48/60/522134860.db2.gz YZRZLSFAFGAATH-CYBMUJFWSA-N 1 3 274.412 2.200 10 0 CEAEHO CC[C@@H](C[NH2+]C1CC1)N1CCN(C2CCCC2)CC1 ZINC000052573467 522545667 /nfs/dbraw/zinc/54/56/67/522545667.db2.gz SJOYYSDLBSLBRU-HNNXBMFYSA-N 1 3 265.445 2.077 10 0 CEAEHO CC[C@H](C)N1CCN(CCC[C@H]2CCC[NH2+]C2)CC1 ZINC000055083448 523953418 /nfs/dbraw/zinc/95/34/18/523953418.db2.gz XOYRHOMWNZZQSV-JKSUJKDBSA-N 1 3 267.461 2.182 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000055083468 523954076 /nfs/dbraw/zinc/95/40/76/523954076.db2.gz TXOHDUHOHARMAB-QAETUUGQSA-N 1 3 279.472 2.323 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000055083435 523955930 /nfs/dbraw/zinc/95/59/30/523955930.db2.gz BXAYSRFOZCFKGA-MAUKXSAKSA-N 1 3 287.451 2.290 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C)C[NH2+]CC(C)C)CC1 ZINC000055074121 523957991 /nfs/dbraw/zinc/95/79/91/523957991.db2.gz BFKQCUJEGPXBNM-GJZGRUSLSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C[NH2+]C2CC2)C(C)C)CC1 ZINC000055074474 523958461 /nfs/dbraw/zinc/95/84/61/523958461.db2.gz AQJKLJUBYVRJJV-HOCLYGCPSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H](C)N1CCN([C@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000055064175 523959762 /nfs/dbraw/zinc/95/97/62/523959762.db2.gz ABWNVHQQXNHJNM-XHSDSOJGSA-N 1 3 267.461 2.310 10 0 CEAEHO C[C@H]1CCC[C@H]([NH2+]CCN2CCC[C@@H]2CN(C)C)C1 ZINC000061655197 524207794 /nfs/dbraw/zinc/20/77/94/524207794.db2.gz ZXKDMKYONVGOPO-HRCADAONSA-N 1 3 267.461 2.181 10 0 CEAEHO C[C@@H](CCC[NH2+]C(C)(C)C)N1CCN(C2CC2)CC1 ZINC000052371368 524457056 /nfs/dbraw/zinc/45/70/56/524457056.db2.gz MCMZAMLWVZWQSG-AWEZNQCLSA-N 1 3 267.461 2.323 10 0 CEAEHO C[C@H]1CCCC[N@@H+]1CC1(CNC2CC2)CCOCC1 ZINC000052180701 526244955 /nfs/dbraw/zinc/24/49/55/526244955.db2.gz AUGKCSHAXLVDBX-AWEZNQCLSA-N 1 3 266.429 2.410 10 0 CEAEHO C[C@H]1CCCC[N@H+]1CC1(CNC2CC2)CCOCC1 ZINC000052180701 526244957 /nfs/dbraw/zinc/24/49/57/526244957.db2.gz AUGKCSHAXLVDBX-AWEZNQCLSA-N 1 3 266.429 2.410 10 0 CEAEHO C[C@H]1CCCCN1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052180701 526244960 /nfs/dbraw/zinc/24/49/60/526244960.db2.gz AUGKCSHAXLVDBX-AWEZNQCLSA-N 1 3 266.429 2.410 10 0 CEAEHO c1ccc(N2CCN(CCC[C@@H]3CCCC[NH2+]3)CC2)nc1 ZINC000050952373 526481437 /nfs/dbraw/zinc/48/14/37/526481437.db2.gz IGWUNPKXAYJTJA-INIZCTEOSA-N 1 3 288.439 2.126 10 0 CEAEHO Cc1oc(CNC2CC2)cc1CN1CCC[C@H]1C[NH+](C)C ZINC000061654536 526774428 /nfs/dbraw/zinc/77/44/28/526774428.db2.gz RTSAWAKUOQWUJE-INIZCTEOSA-N 1 3 291.439 2.366 10 0 CEAEHO Cc1nc(N2CCC[C@@H]2C[NH+](C)C)sc1CNC1CC1 ZINC000061655593 526965509 /nfs/dbraw/zinc/96/55/09/526965509.db2.gz PBTXLKPJDOGFQK-CYBMUJFWSA-N 1 3 294.468 2.234 10 0 CEAEHO [NH3+]Cc1ccnc(O[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000061702136 527261832 /nfs/dbraw/zinc/26/18/32/527261832.db2.gz VBKLMPPGRAPACZ-INIZCTEOSA-N 1 3 283.375 2.194 10 0 CEAEHO C[C@H](O)[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000309822833 627905964 /nfs/dbraw/zinc/90/59/64/627905964.db2.gz AMPWUNSJLMZQHD-VGAPYMQISA-N 1 3 288.435 2.256 10 0 CEAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cncc4ccccc43)C[C@@H]12 ZINC000312652275 628360511 /nfs/dbraw/zinc/36/05/11/628360511.db2.gz FXGZAMIRLUZIPB-IAOVAPTHSA-N 1 3 267.376 2.404 10 0 CEAEHO C[C@H](Cc1ccc(O)cc1)N(C)C[C@H]1CCC[NH2+]C1 ZINC000261564032 628939111 /nfs/dbraw/zinc/93/91/11/628939111.db2.gz CEUMRPKTQCSROY-HIFRSBDPSA-N 1 3 262.397 2.255 10 0 CEAEHO C[C@H](CSC(C)(C)C)NC[C@H](O)C[NH+]1CCCCC1 ZINC000151292786 639255047 /nfs/dbraw/zinc/25/50/47/639255047.db2.gz HMRABIBORWYMTE-KGLIPLIRSA-N 1 3 288.501 2.343 10 0 CEAEHO CC(C)C[C@H](CN(C)C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127947853 365769941 /nfs/dbraw/zinc/76/99/41/365769941.db2.gz SCRXJASFXNLERZ-ARFHVFGLSA-N 1 3 267.461 2.179 10 0 CEAEHO CC(C)C[C@H](CN(C)C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127947853 365769946 /nfs/dbraw/zinc/76/99/46/365769946.db2.gz SCRXJASFXNLERZ-ARFHVFGLSA-N 1 3 267.461 2.179 10 0 CEAEHO C([C@@H]1CCOC1)[N@@H+]1CCCNC2(CCCCC2)C1 ZINC000085610592 179101019 /nfs/dbraw/zinc/10/10/19/179101019.db2.gz SZOIZTXTTPCGFX-AWEZNQCLSA-N 1 3 252.402 2.021 10 0 CEAEHO C([C@@H]1CCOC1)[N@H+]1CCCNC2(CCCCC2)C1 ZINC000085610592 179101021 /nfs/dbraw/zinc/10/10/21/179101021.db2.gz SZOIZTXTTPCGFX-AWEZNQCLSA-N 1 3 252.402 2.021 10 0 CEAEHO CC(C)[C@H]1C[N@H+](CCCOCC(F)(F)F)CCCN1 ZINC000085608431 179101924 /nfs/dbraw/zinc/10/19/24/179101924.db2.gz ULBRYAHZIQYDKS-GFCCVEGCSA-N 1 3 282.350 2.275 10 0 CEAEHO CC(C)[C@H]1C[N@@H+](CCCOCC(F)(F)F)CCCN1 ZINC000085608431 179101926 /nfs/dbraw/zinc/10/19/26/179101926.db2.gz ULBRYAHZIQYDKS-GFCCVEGCSA-N 1 3 282.350 2.275 10 0 CEAEHO C[C@@H]1CCNC2(CCCCC2)C[N@@H+]1[C@@H]1CCOC1 ZINC000085621002 179105197 /nfs/dbraw/zinc/10/51/97/179105197.db2.gz UVKLIGOQNKZWPG-ZIAGYGMSSA-N 1 3 252.402 2.162 10 0 CEAEHO C[C@@H]1CCNC2(CCCCC2)C[N@H+]1[C@@H]1CCOC1 ZINC000085621002 179105199 /nfs/dbraw/zinc/10/51/99/179105199.db2.gz UVKLIGOQNKZWPG-ZIAGYGMSSA-N 1 3 252.402 2.162 10 0 CEAEHO COCCC[N@@H+]1CC2(CCCCC2)NCC[C@@H]1C ZINC000085620801 179105399 /nfs/dbraw/zinc/10/53/99/179105399.db2.gz NASAVQJDTVRVKR-AWEZNQCLSA-N 1 3 254.418 2.410 10 0 CEAEHO COCCC[N@H+]1CC2(CCCCC2)NCC[C@@H]1C ZINC000085620801 179105400 /nfs/dbraw/zinc/10/54/00/179105400.db2.gz NASAVQJDTVRVKR-AWEZNQCLSA-N 1 3 254.418 2.410 10 0 CEAEHO COCCCN1CC2(CCCCC2)[NH2+]CC[C@@H]1C ZINC000085620801 179105403 /nfs/dbraw/zinc/10/54/03/179105403.db2.gz NASAVQJDTVRVKR-AWEZNQCLSA-N 1 3 254.418 2.410 10 0 CEAEHO COCCOCC[N@@H+]1CC2(CCCCC2)NCC[C@H]1C ZINC000085621077 179106175 /nfs/dbraw/zinc/10/61/75/179106175.db2.gz YBOMFIRHFHUUBL-OAHLLOKOSA-N 1 3 284.444 2.036 10 0 CEAEHO COCCOCC[N@H+]1CC2(CCCCC2)NCC[C@H]1C ZINC000085621077 179106176 /nfs/dbraw/zinc/10/61/76/179106176.db2.gz YBOMFIRHFHUUBL-OAHLLOKOSA-N 1 3 284.444 2.036 10 0 CEAEHO CC[C@H]1CNC(CC)(CC)C[N@@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182522 179247395 /nfs/dbraw/zinc/24/73/95/179247395.db2.gz BHPNCCUMZRGGKG-JKSUJKDBSA-N 1 3 279.472 2.323 10 0 CEAEHO CC[C@H]1CNC(CC)(CC)C[N@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182522 179247397 /nfs/dbraw/zinc/24/73/97/179247397.db2.gz BHPNCCUMZRGGKG-JKSUJKDBSA-N 1 3 279.472 2.323 10 0 CEAEHO C[C@@H]1CN[C@H](c2ccccc2)C[N@@H+]1C1CCN(C)CC1 ZINC000086217787 179249282 /nfs/dbraw/zinc/24/92/82/179249282.db2.gz UPWHDWVSAKXAKM-PBHICJAKSA-N 1 3 273.424 2.116 10 0 CEAEHO C[C@@H]1CN[C@H](c2ccccc2)C[N@H+]1C1CCN(C)CC1 ZINC000086217787 179249285 /nfs/dbraw/zinc/24/92/85/179249285.db2.gz UPWHDWVSAKXAKM-PBHICJAKSA-N 1 3 273.424 2.116 10 0 CEAEHO CC[C@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1C1CCN(C)CC1 ZINC000086217810 179249692 /nfs/dbraw/zinc/24/96/92/179249692.db2.gz FIRBVJXROBTDMH-DZGCQCFKSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1CN[C@@H](C(C)(C)C)C[N@H+]1C1CCN(C)CC1 ZINC000086217810 179249693 /nfs/dbraw/zinc/24/96/93/179249693.db2.gz FIRBVJXROBTDMH-DZGCQCFKSA-N 1 3 267.461 2.179 10 0 CEAEHO CCN1CCC[C@@H]([N@@H+]2CC3(CCCC3)NC[C@@H]2C)C1 ZINC000086225427 179253034 /nfs/dbraw/zinc/25/30/34/179253034.db2.gz OLQHGCGNAQBOII-LSDHHAIUSA-N 1 3 265.445 2.077 10 0 CEAEHO CCN1CCC[C@@H]([N@H+]2CC3(CCCC3)NC[C@@H]2C)C1 ZINC000086225427 179253035 /nfs/dbraw/zinc/25/30/35/179253035.db2.gz OLQHGCGNAQBOII-LSDHHAIUSA-N 1 3 265.445 2.077 10 0 CEAEHO CCN1CCC[C@@H](N2CC3(CCCC3)[NH2+]C[C@@H]2C)C1 ZINC000086225427 179253036 /nfs/dbraw/zinc/25/30/36/179253036.db2.gz OLQHGCGNAQBOII-LSDHHAIUSA-N 1 3 265.445 2.077 10 0 CEAEHO CCN1CCC[C@H]([N@@H+]2CC3(CCCC3)NC[C@@H]2C)C1 ZINC000086225426 179253705 /nfs/dbraw/zinc/25/37/05/179253705.db2.gz OLQHGCGNAQBOII-GJZGRUSLSA-N 1 3 265.445 2.077 10 0 CEAEHO CCN1CCC[C@H]([N@H+]2CC3(CCCC3)NC[C@@H]2C)C1 ZINC000086225426 179253707 /nfs/dbraw/zinc/25/37/07/179253707.db2.gz OLQHGCGNAQBOII-GJZGRUSLSA-N 1 3 265.445 2.077 10 0 CEAEHO CCN1CCC[C@H](N2CC3(CCCC3)[NH2+]C[C@@H]2C)C1 ZINC000086225426 179253708 /nfs/dbraw/zinc/25/37/08/179253708.db2.gz OLQHGCGNAQBOII-GJZGRUSLSA-N 1 3 265.445 2.077 10 0 CEAEHO CC[C@H]1CNC(CC)(CC)C[N@@H+]1[C@@H]1CCCN(C)C1 ZINC000086223933 179253767 /nfs/dbraw/zinc/25/37/67/179253767.db2.gz KZPNNPRXHGHIEK-LSDHHAIUSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@H]1CNC(CC)(CC)C[N@H+]1[C@@H]1CCCN(C)C1 ZINC000086223933 179253770 /nfs/dbraw/zinc/25/37/70/179253770.db2.gz KZPNNPRXHGHIEK-LSDHHAIUSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@H]1C[NH2+]C(CC)(CC)CN1[C@@H]1CCCN(C)C1 ZINC000086223933 179253772 /nfs/dbraw/zinc/25/37/72/179253772.db2.gz KZPNNPRXHGHIEK-LSDHHAIUSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1[C@@H](C)CCN(C)C ZINC000086227528 179254720 /nfs/dbraw/zinc/25/47/20/179254720.db2.gz FNQOMLCQGUKKOC-NUEKZKHPSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(C2CC2)C[N@H+]1[C@@H](C)CCN(C)C ZINC000086227528 179254722 /nfs/dbraw/zinc/25/47/22/179254722.db2.gz FNQOMLCQGUKKOC-NUEKZKHPSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCCN1C ZINC000086259300 179257977 /nfs/dbraw/zinc/25/79/77/179257977.db2.gz CZUCADLXLOOXHZ-YESZJQIVSA-N 1 3 279.472 2.323 10 0 CEAEHO CC[C@H]1CN[C@@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCCN1C ZINC000086259300 179257980 /nfs/dbraw/zinc/25/79/80/179257980.db2.gz CZUCADLXLOOXHZ-YESZJQIVSA-N 1 3 279.472 2.323 10 0 CEAEHO CC[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259603 179258085 /nfs/dbraw/zinc/25/80/85/179258085.db2.gz AFYUEYGOKHSYPI-BMFZPTHFSA-N 1 3 279.472 2.322 10 0 CEAEHO CC[C@@H]1CN[C@H](C(C)(C)C)C[N@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259603 179258086 /nfs/dbraw/zinc/25/80/86/179258086.db2.gz AFYUEYGOKHSYPI-BMFZPTHFSA-N 1 3 279.472 2.322 10 0 CEAEHO CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259603 179258087 /nfs/dbraw/zinc/25/80/87/179258087.db2.gz AFYUEYGOKHSYPI-BMFZPTHFSA-N 1 3 279.472 2.322 10 0 CEAEHO CC[C@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259220 179258325 /nfs/dbraw/zinc/25/83/25/179258325.db2.gz MYPFLPHGAWYLNW-OWCLPIDISA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@H]1CN[C@@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259220 179258326 /nfs/dbraw/zinc/25/83/26/179258326.db2.gz MYPFLPHGAWYLNW-OWCLPIDISA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259203 179258634 /nfs/dbraw/zinc/25/86/34/179258634.db2.gz YMFFJVNNIPVYDS-OIISXLGYSA-N 1 3 279.472 2.181 10 0 CEAEHO CC[C@@H]1CN[C@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259203 179258637 /nfs/dbraw/zinc/25/86/37/179258637.db2.gz YMFFJVNNIPVYDS-OIISXLGYSA-N 1 3 279.472 2.181 10 0 CEAEHO CCC[C@H]1CN([C@@H]2CCN(C3CC3)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086259672 179259078 /nfs/dbraw/zinc/25/90/78/179259078.db2.gz SSNWKCDGMDBQNV-UAGQMJEPSA-N 1 3 279.472 2.322 10 0 CEAEHO CCC[C@H]1C[N@H+]([C@@H]2CCN(C3CC3)C2)[C@H](C(C)C)CN1 ZINC000086259672 179259079 /nfs/dbraw/zinc/25/90/79/179259079.db2.gz SSNWKCDGMDBQNV-UAGQMJEPSA-N 1 3 279.472 2.322 10 0 CEAEHO CCC[C@H]1C[N@@H+]([C@@H]2CCN(C3CC3)C2)[C@H](C(C)C)CN1 ZINC000086259672 179259080 /nfs/dbraw/zinc/25/90/80/179259080.db2.gz SSNWKCDGMDBQNV-UAGQMJEPSA-N 1 3 279.472 2.322 10 0 CEAEHO Fc1ccc(CC[N@@H+]2CCCN[C@H](C3CC3)C2)cc1 ZINC000086285662 179263332 /nfs/dbraw/zinc/26/33/32/179263332.db2.gz VFJVQUJCXQQTGY-INIZCTEOSA-N 1 3 262.372 2.442 10 0 CEAEHO Fc1ccc(CC[N@H+]2CCCN[C@H](C3CC3)C2)cc1 ZINC000086285662 179263333 /nfs/dbraw/zinc/26/33/33/179263333.db2.gz VFJVQUJCXQQTGY-INIZCTEOSA-N 1 3 262.372 2.442 10 0 CEAEHO CC[C@H](C)[C@H]1CN([C@@H]2CCCN(CC)C2)CCC[NH2+]1 ZINC000086289414 179264186 /nfs/dbraw/zinc/26/41/86/179264186.db2.gz JZKGDSOYSJTQFV-ARFHVFGLSA-N 1 3 267.461 2.181 10 0 CEAEHO CC(C)C[C@H]1C[N@@H+]([C@@H](C)[C@@H]2CCCO2)CCCN1 ZINC000086287089 179264385 /nfs/dbraw/zinc/26/43/85/179264385.db2.gz YFWWJWLWBDMBJF-KKUMJFAQSA-N 1 3 254.418 2.264 10 0 CEAEHO CC(C)C[C@H]1C[N@H+]([C@@H](C)[C@@H]2CCCO2)CCCN1 ZINC000086287089 179264387 /nfs/dbraw/zinc/26/43/87/179264387.db2.gz YFWWJWLWBDMBJF-KKUMJFAQSA-N 1 3 254.418 2.264 10 0 CEAEHO CC(C)[C@H]1CN[C@H](C2CC2)C[N@@H+]1CC1CCN(C)CC1 ZINC000086259019 179256559 /nfs/dbraw/zinc/25/65/59/179256559.db2.gz IYEQVBQQYLOIAR-DLBZAZTESA-N 1 3 279.472 2.037 10 0 CEAEHO CC(C)[C@H]1CN[C@H](C2CC2)C[N@H+]1CC1CCN(C)CC1 ZINC000086259019 179256561 /nfs/dbraw/zinc/25/65/61/179256561.db2.gz IYEQVBQQYLOIAR-DLBZAZTESA-N 1 3 279.472 2.037 10 0 CEAEHO CN1CCC[C@@H](C[N@@H+]2CCCNC3(CCCCC3)C2)C1 ZINC000086291556 179266327 /nfs/dbraw/zinc/26/63/27/179266327.db2.gz BJUQTRHGIHPMHH-MRXNPFEDSA-N 1 3 279.472 2.326 10 0 CEAEHO CN1CCC[C@@H](C[N@H+]2CCCNC3(CCCCC3)C2)C1 ZINC000086291556 179266329 /nfs/dbraw/zinc/26/63/29/179266329.db2.gz BJUQTRHGIHPMHH-MRXNPFEDSA-N 1 3 279.472 2.326 10 0 CEAEHO CCC[C@@H](COC)[N@@H+]1CCCN[C@@](C)(C2CC2)C1 ZINC000086299574 179268938 /nfs/dbraw/zinc/26/89/38/179268938.db2.gz XJANCCZWQRFXND-LSDHHAIUSA-N 1 3 254.418 2.266 10 0 CEAEHO CCC[C@@H](COC)[N@H+]1CCCN[C@@](C)(C2CC2)C1 ZINC000086299574 179268940 /nfs/dbraw/zinc/26/89/40/179268940.db2.gz XJANCCZWQRFXND-LSDHHAIUSA-N 1 3 254.418 2.266 10 0 CEAEHO CCC[C@@H](COC)N1CCC[NH2+][C@@](C)(C2CC2)C1 ZINC000086299574 179268943 /nfs/dbraw/zinc/26/89/43/179268943.db2.gz XJANCCZWQRFXND-LSDHHAIUSA-N 1 3 254.418 2.266 10 0 CEAEHO CN[C@H]1CCCc2sc(N(C)[C@@H]3CCC[N@H+](C)C3)nc21 ZINC000086443087 179293474 /nfs/dbraw/zinc/29/34/74/179293474.db2.gz ZEPFILAZKXIPHG-NEPJUHHUSA-N 1 3 294.468 2.270 10 0 CEAEHO CN[C@H]1CCCc2sc(N(C)[C@@H]3CCC[N@@H+](C)C3)nc21 ZINC000086443087 179293476 /nfs/dbraw/zinc/29/34/76/179293476.db2.gz ZEPFILAZKXIPHG-NEPJUHHUSA-N 1 3 294.468 2.270 10 0 CEAEHO CN(C)CCOC1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000086713624 179322731 /nfs/dbraw/zinc/32/27/31/179322731.db2.gz LEVOHCKQZJKQEE-UHFFFAOYSA-N 1 3 256.434 2.498 10 0 CEAEHO C[C@@H](C[NH2+][C@H]1CCCN(C)CC1)CN1CCCCC1 ZINC000086818835 179347981 /nfs/dbraw/zinc/34/79/81/179347981.db2.gz NEKOTMUPEZYDDP-HOTGVXAUSA-N 1 3 267.461 2.182 10 0 CEAEHO CCC1(C)CC[NH+]([C@@]2(CN)CCCN(C)CC2)CC1 ZINC000086819593 179348655 /nfs/dbraw/zinc/34/86/55/179348655.db2.gz QUIIKUVEWMENRP-INIZCTEOSA-N 1 3 267.461 2.312 10 0 CEAEHO C[N@@H+]1CCC[C@@H](N2CCNCc3ccccc32)CC1 ZINC000086833511 179349219 /nfs/dbraw/zinc/34/92/19/179349219.db2.gz JHLUUDIQEWEIIA-OAHLLOKOSA-N 1 3 259.397 2.081 10 0 CEAEHO C[N@H+]1CCC[C@@H](N2CCNCc3ccccc32)CC1 ZINC000086833511 179349221 /nfs/dbraw/zinc/34/92/21/179349221.db2.gz JHLUUDIQEWEIIA-OAHLLOKOSA-N 1 3 259.397 2.081 10 0 CEAEHO CCC[N@@H+]1CCC[C@H](NCCN(CC)CC)CC1 ZINC000086835491 179350344 /nfs/dbraw/zinc/35/03/44/179350344.db2.gz SBUWSRCMFBRLNO-HNNXBMFYSA-N 1 3 255.450 2.182 10 0 CEAEHO CCC[N@H+]1CCC[C@H](NCCN(CC)CC)CC1 ZINC000086835491 179350348 /nfs/dbraw/zinc/35/03/48/179350348.db2.gz SBUWSRCMFBRLNO-HNNXBMFYSA-N 1 3 255.450 2.182 10 0 CEAEHO CC(C)N1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000086836984 179351687 /nfs/dbraw/zinc/35/16/87/179351687.db2.gz AEXAANOFRNLABO-KKUMJFAQSA-N 1 3 254.418 2.406 10 0 CEAEHO CC(C)[N@@H+]1CCC[C@H](N[C@@H](C)[C@@H]2CCCO2)CC1 ZINC000086836984 179351688 /nfs/dbraw/zinc/35/16/88/179351688.db2.gz AEXAANOFRNLABO-KKUMJFAQSA-N 1 3 254.418 2.406 10 0 CEAEHO CC(C)[N@H+]1CCC[C@H](N[C@@H](C)[C@@H]2CCCO2)CC1 ZINC000086836984 179351689 /nfs/dbraw/zinc/35/16/89/179351689.db2.gz AEXAANOFRNLABO-KKUMJFAQSA-N 1 3 254.418 2.406 10 0 CEAEHO CC(C)N1CCC[C@@H]([NH2+][C@@H](C)Cn2cccn2)CC1 ZINC000086840471 179353496 /nfs/dbraw/zinc/35/34/96/179353496.db2.gz OZFLDHDCMMMJCJ-LSDHHAIUSA-N 1 3 264.417 2.124 10 0 CEAEHO CC(C)[N@@H+]1CCC[C@@H](N[C@@H](C)Cn2cccn2)CC1 ZINC000086840471 179353498 /nfs/dbraw/zinc/35/34/98/179353498.db2.gz OZFLDHDCMMMJCJ-LSDHHAIUSA-N 1 3 264.417 2.124 10 0 CEAEHO CC(C)[N@H+]1CCC[C@@H](N[C@@H](C)Cn2cccn2)CC1 ZINC000086840471 179353499 /nfs/dbraw/zinc/35/34/99/179353499.db2.gz OZFLDHDCMMMJCJ-LSDHHAIUSA-N 1 3 264.417 2.124 10 0 CEAEHO CC(C)[C@@H]1CCC[C@@](C[NH3+])(N(C)CCN(C)C)CC1 ZINC000086948968 179368464 /nfs/dbraw/zinc/36/84/64/179368464.db2.gz CMCSRRUWEWISIO-HZPDHXFCSA-N 1 3 269.477 2.414 10 0 CEAEHO CC(C)[C@@H]1CCC[C@@](CN)([N@H+](C)CCN(C)C)CC1 ZINC000086948968 179368467 /nfs/dbraw/zinc/36/84/67/179368467.db2.gz CMCSRRUWEWISIO-HZPDHXFCSA-N 1 3 269.477 2.414 10 0 CEAEHO CC(C)[C@@H]1CCC[C@@](CN)([N@@H+](C)CCN(C)C)CC1 ZINC000086948968 179368469 /nfs/dbraw/zinc/36/84/69/179368469.db2.gz CMCSRRUWEWISIO-HZPDHXFCSA-N 1 3 269.477 2.414 10 0 CEAEHO C[C@H](NC[C@H]1CCCN1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400753360 233180906 /nfs/dbraw/zinc/18/09/06/233180906.db2.gz WGVJDUNCFSRJLO-CGTJXYLNSA-N 1 3 287.451 2.239 10 0 CEAEHO CCCC[N@H+](C[C@H]1COC[C@@H]1NCCC)C1CC1 ZINC000090566429 180005398 /nfs/dbraw/zinc/00/53/98/180005398.db2.gz WBXLSOAEWYEGLK-ZFWWWQNUSA-N 1 3 254.418 2.266 10 0 CEAEHO CCCC[N@@H+](C[C@H]1COC[C@@H]1NCCC)C1CC1 ZINC000090566429 180005399 /nfs/dbraw/zinc/00/53/99/180005399.db2.gz WBXLSOAEWYEGLK-ZFWWWQNUSA-N 1 3 254.418 2.266 10 0 CEAEHO CCCCN(C[C@H]1COC[C@@H]1[NH2+]CCC)C1CC1 ZINC000090566429 180005400 /nfs/dbraw/zinc/00/54/00/180005400.db2.gz WBXLSOAEWYEGLK-ZFWWWQNUSA-N 1 3 254.418 2.266 10 0 CEAEHO C[C@H](CC[NH+](C)C)NC[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892502 180053515 /nfs/dbraw/zinc/05/35/15/180053515.db2.gz FMXZVSIQAVNOIJ-RISCZKNCSA-N 1 3 266.360 2.059 10 0 CEAEHO CC(C)N1CCO[C@H](Cn2ccc(C[NH2+]C(C)(C)C)c2)C1 ZINC000091004115 180084008 /nfs/dbraw/zinc/08/40/08/180084008.db2.gz TWFRVFWKHBQQGR-MRXNPFEDSA-N 1 3 293.455 2.485 10 0 CEAEHO CC(C)[C@H]1CCC[N@H+](CC[C@@H]2CNCCO2)CC1 ZINC000091314290 180133740 /nfs/dbraw/zinc/13/37/40/180133740.db2.gz MKHAYGXJIZIFHW-LSDHHAIUSA-N 1 3 254.418 2.123 10 0 CEAEHO CC(C)[C@H]1CCC[N@@H+](CC[C@@H]2CNCCO2)CC1 ZINC000091314290 180133742 /nfs/dbraw/zinc/13/37/42/180133742.db2.gz MKHAYGXJIZIFHW-LSDHHAIUSA-N 1 3 254.418 2.123 10 0 CEAEHO C[NH2+][C@H]1CCC(C)(C)C[C@@H]1CN(C)CC1CC(O)C1 ZINC000091490576 180170079 /nfs/dbraw/zinc/17/00/79/180170079.db2.gz KTDKLRVGNSNMMB-JYVUQVBGSA-N 1 3 268.445 2.103 10 0 CEAEHO Cc1ccc([C@@H]([NH3+])CCN(C)CC2CC(O)C2)cc1 ZINC000091499029 180174152 /nfs/dbraw/zinc/17/41/52/180174152.db2.gz ZPOQSUAERJLEGO-BCLQGDPASA-N 1 3 262.397 2.088 10 0 CEAEHO CC[NH2+][C@@H](C)C(C)(C)CN1CCN(CC(C)C)CC1 ZINC000091404676 180147046 /nfs/dbraw/zinc/14/70/46/180147046.db2.gz DQZHLLYHTNONDP-HNNXBMFYSA-N 1 3 269.477 2.284 10 0 CEAEHO CC[NH2+][C@@H](C)C(C)(C)CN1CCN(CC2CC2)CC1 ZINC000091404507 180147192 /nfs/dbraw/zinc/14/71/92/180147192.db2.gz IQHGOACCDBNUBP-AWEZNQCLSA-N 1 3 267.461 2.038 10 0 CEAEHO CC[NH+](CC)[C@](C)(CC)[C@@H](Cc1ccnc(N)c1)NC ZINC000091599126 180202523 /nfs/dbraw/zinc/20/25/23/180202523.db2.gz ATAHKMMZECLDBV-GDBMZVCRSA-N 1 3 278.444 2.305 10 0 CEAEHO C[NH2+][C@H](C1CCOCC1)C1(N2CCCC2)CCCC1 ZINC000091640841 180213291 /nfs/dbraw/zinc/21/32/91/180213291.db2.gz STWVDPKVWGBOBO-OAHLLOKOSA-N 1 3 266.429 2.410 10 0 CEAEHO CN(C)C1(C(=O)Cc2c[nH+]ccc2N)CCCCCC1 ZINC000091653631 180217150 /nfs/dbraw/zinc/21/71/50/180217150.db2.gz ORGOCOHLNNVHDR-UHFFFAOYSA-N 1 3 275.396 2.430 10 0 CEAEHO CC[NH+](CC)CC[C@H](Cc1ccn(C(C)C)n1)NC ZINC000091716269 180232017 /nfs/dbraw/zinc/23/20/17/180232017.db2.gz QCVNYYNVKQCXNY-CQSZACIVSA-N 1 3 266.433 2.326 10 0 CEAEHO CCN(CC)CC[C@H](Cc1ccn(C(C)C)n1)[NH2+]C ZINC000091716269 180232020 /nfs/dbraw/zinc/23/20/20/180232020.db2.gz QCVNYYNVKQCXNY-CQSZACIVSA-N 1 3 266.433 2.326 10 0 CEAEHO N[C@H](Cc1ccccc1Cl)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720640 180235217 /nfs/dbraw/zinc/23/52/17/180235217.db2.gz HLVNLKODHUAOMH-BPLDGKMQSA-N 1 3 280.799 2.073 10 0 CEAEHO N[C@H](Cc1ccccc1Cl)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720640 180235219 /nfs/dbraw/zinc/23/52/19/180235219.db2.gz HLVNLKODHUAOMH-BPLDGKMQSA-N 1 3 280.799 2.073 10 0 CEAEHO CCCCNC(=O)[C@H](C)N(C)C1CCC([NH2+]CC)CC1 ZINC000091870349 180277253 /nfs/dbraw/zinc/27/72/53/180277253.db2.gz BKUWPWHMRPWAOJ-NFOMZHRRSA-N 1 3 283.460 2.144 10 0 CEAEHO C[NH2+]C1CCC(N(C)CC(=O)N(C)c2ccccc2)CC1 ZINC000091873076 180278279 /nfs/dbraw/zinc/27/82/79/180278279.db2.gz WNXUTSMGUSBFKJ-UHFFFAOYSA-N 1 3 289.423 2.112 10 0 CEAEHO C[C@H]1C[N@H+](C[C@]2(CNC3CC3)CCCOC2)C[C@H]1C ZINC000092088414 180321478 /nfs/dbraw/zinc/32/14/78/180321478.db2.gz JZDVTFBWRPEQPA-IJEWVQPXSA-N 1 3 266.429 2.123 10 0 CEAEHO C[C@H]1C[N@@H+](C[C@]2(CNC3CC3)CCCOC2)C[C@H]1C ZINC000092088414 180321479 /nfs/dbraw/zinc/32/14/79/180321479.db2.gz JZDVTFBWRPEQPA-IJEWVQPXSA-N 1 3 266.429 2.123 10 0 CEAEHO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2ccccc2CN2CCCC2)C1 ZINC000092203849 180343924 /nfs/dbraw/zinc/34/39/24/180343924.db2.gz DBCAJMXXJZDLNH-DZGCQCFKSA-N 1 3 285.391 2.124 10 0 CEAEHO CCNc1ccnc(CN2CCC([NH+](C)C)CC2)c1 ZINC000092418171 180381573 /nfs/dbraw/zinc/38/15/73/180381573.db2.gz UTQYBTYCBFROBP-UHFFFAOYSA-N 1 3 262.401 2.039 10 0 CEAEHO CC[NH+](CC)[C@@H]1CCN(Cc2cc(NC)ccn2)C1 ZINC000092419136 180382252 /nfs/dbraw/zinc/38/22/52/180382252.db2.gz ITDFIELJJVZKLM-OAHLLOKOSA-N 1 3 262.401 2.039 10 0 CEAEHO CC[C@@H](CC[NH3+])N1CCCN(Cc2cccc(C)n2)CC1 ZINC000092427842 180383001 /nfs/dbraw/zinc/38/30/01/180383001.db2.gz USBGUUFIGALCNS-KRWDZBQOSA-N 1 3 290.455 2.025 10 0 CEAEHO CCC[NH2+][C@@H](CC)Cc1nc(CCN(CC)CC)no1 ZINC000109496187 186256814 /nfs/dbraw/zinc/25/68/14/186256814.db2.gz JZVNOWJHSFEBDO-ZDUSSCGKSA-N 1 3 282.432 2.275 10 0 CEAEHO CCc1nc(N2CC[C@@H]([NH+](C)C)C2)sc1CNC1CC1 ZINC000110275395 186289275 /nfs/dbraw/zinc/28/92/75/186289275.db2.gz FWKPDVYBDMMBLX-GFCCVEGCSA-N 1 3 294.468 2.098 10 0 CEAEHO CC[NH2+][C@@H](CC)[C@H](C)c1nc(CCN(CC)CC)no1 ZINC000110478302 186299614 /nfs/dbraw/zinc/29/96/14/186299614.db2.gz QYRNMAWZGKMQDT-STQMWFEESA-N 1 3 282.432 2.446 10 0 CEAEHO COc1cc2c(cc1F)nc(N)n2[C@H]1C[NH+]2CCC1CC2 ZINC000110629274 186307494 /nfs/dbraw/zinc/30/74/94/186307494.db2.gz CMHCRUBJJZUHPK-ZDUSSCGKSA-N 1 3 290.342 2.033 10 0 CEAEHO Cc1ccc([C@@H](C[NH3+])N2CCN(C)C(C)(C)C2)cc1 ZINC000110704891 186314104 /nfs/dbraw/zinc/31/41/04/186314104.db2.gz AAGLLTQWMCKJQV-OAHLLOKOSA-N 1 3 261.413 2.021 10 0 CEAEHO CN1CCN([C@@H]2CCc3ccccc3[C@@H]2[NH3+])CC1(C)C ZINC000110716298 186315503 /nfs/dbraw/zinc/31/55/03/186315503.db2.gz YCDMOZKYADAVFD-CVEARBPZSA-N 1 3 273.424 2.027 10 0 CEAEHO CCN1CCN([C@@H](C[NH3+])c2ccc(C)cc2C)C[C@@H]1C ZINC000110709641 186315811 /nfs/dbraw/zinc/31/58/11/186315811.db2.gz NYQJLOIRMUKPRC-RDJZCZTQSA-N 1 3 275.440 2.329 10 0 CEAEHO CCOc1ccc([C@H](C[NH3+])N2CCN(C)C(C)(C)C2)cc1 ZINC000110712186 186316435 /nfs/dbraw/zinc/31/64/35/186316435.db2.gz QOLBPZZCDPMWCX-INIZCTEOSA-N 1 3 291.439 2.111 10 0 CEAEHO C[C@@H]1CN(Cc2oc3ccccc3c2C[NH3+])CCN1C ZINC000110751068 186320794 /nfs/dbraw/zinc/32/07/94/186320794.db2.gz BOLPNUCQPKGUOZ-GFCCVEGCSA-N 1 3 273.380 2.027 10 0 CEAEHO CC[C@@H]1CN(CC[NH2+]CCC(C)(C)C)CCN1C ZINC000110757511 186320934 /nfs/dbraw/zinc/32/09/34/186320934.db2.gz GIFOHONEDZZHHE-CQSZACIVSA-N 1 3 255.450 2.038 10 0 CEAEHO CC[NH2+][C@@H]1CCCC[C@@H]1CN1CCN(C)C(C)(C)C1 ZINC000110747001 186321728 /nfs/dbraw/zinc/32/17/28/186321728.db2.gz JBEMBINIQDSQCH-HUUCEWRRSA-N 1 3 267.461 2.181 10 0 CEAEHO CCC[C@]1(CN2CCN(C)C(C)(C)C2)CCC[NH2+]C1 ZINC000110763025 186323296 /nfs/dbraw/zinc/32/32/96/186323296.db2.gz CLWXMBSBLDRPJB-INIZCTEOSA-N 1 3 267.461 2.182 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C[NH3+])c2cccc(F)c2F)CC1 ZINC000111039974 186346899 /nfs/dbraw/zinc/34/68/99/186346899.db2.gz OMMXUDOOJDPPSY-IUODEOHRSA-N 1 3 297.393 2.381 10 0 CEAEHO CC[C@H]([NH3+])[C@H](N(C)C[C@@H]1CCCOC1)C(C)(C)C ZINC000111154053 186360985 /nfs/dbraw/zinc/36/09/85/186360985.db2.gz CWNSYMLHTVKMGI-IHRRRGAJSA-N 1 3 256.434 2.497 10 0 CEAEHO CCc1ccc([C@H](CN)N(C)CCC[NH+](C)C)s1 ZINC000111133418 186356056 /nfs/dbraw/zinc/35/60/56/186356056.db2.gz PSCRWAWXNSWIPX-ZDUSSCGKSA-N 1 3 269.458 2.194 10 0 CEAEHO CCC[NH2+][C@@H](CCC)[C@H](CC)N(C)CCN(C)C ZINC000111135352 186357356 /nfs/dbraw/zinc/35/73/56/186357356.db2.gz STBXVBIPPHDZEL-GJZGRUSLSA-N 1 3 257.466 2.427 10 0 CEAEHO C[C@@H](N)c1cc(F)ccc1N(C)CCC[NH+](C)C ZINC000111138573 186358013 /nfs/dbraw/zinc/35/80/13/186358013.db2.gz JYQIQLGSIPQSJV-LLVKDONJSA-N 1 3 253.365 2.233 10 0 CEAEHO CCC[NH2+]CC1(CN(C)CCN(C)C)CCCCC1 ZINC000111146939 186358281 /nfs/dbraw/zinc/35/82/81/186358281.db2.gz OZDNYZPJOZNDEU-UHFFFAOYSA-N 1 3 269.477 2.430 10 0 CEAEHO CCC[NH2+]C[C@@](C)(CN(C)CCN(C)C)c1ccccc1 ZINC000111147331 186358518 /nfs/dbraw/zinc/35/85/18/186358518.db2.gz YTVGGYSCEAXBEQ-SFHVURJKSA-N 1 3 291.483 2.437 10 0 CEAEHO CC[C@](C)(C[NH2+]CC(C)C)CN(C)CCN(C)C ZINC000111147224 186359660 /nfs/dbraw/zinc/35/96/60/186359660.db2.gz SBATVQWCMNXIEY-OAHLLOKOSA-N 1 3 257.466 2.142 10 0 CEAEHO Cc1nccn1C[C@H]1CCCN1CC[NH+]1CCC(C)CC1 ZINC000154146088 366759239 /nfs/dbraw/zinc/75/92/39/366759239.db2.gz XEOZZTMSSDNCCC-QGZVFWFLSA-N 1 3 290.455 2.388 10 0 CEAEHO COc1ccc(CC[NH2+][C@H](C)[C@H]2CCCNC2)cc1 ZINC000580289940 366776282 /nfs/dbraw/zinc/77/62/82/366776282.db2.gz NVLAMCCPLILZKJ-HIFRSBDPSA-N 1 3 262.397 2.215 10 0 CEAEHO COc1ccc(CCN[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000580289940 366776286 /nfs/dbraw/zinc/77/62/86/366776286.db2.gz NVLAMCCPLILZKJ-HIFRSBDPSA-N 1 3 262.397 2.215 10 0 CEAEHO CCN1CC[C@H]([NH2+]C[C@H]2CCCN2CC(C)C)[C@@H](C)C1 ZINC000246594119 370982199 /nfs/dbraw/zinc/98/21/99/370982199.db2.gz ZOURISGOAMDNJI-BBWFWOEESA-N 1 3 281.488 2.427 10 0 CEAEHO CN1CCC[C@@H]1CC[N@@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249570535 371338672 /nfs/dbraw/zinc/33/86/72/371338672.db2.gz OEAPCVKAMAFOJO-ARFHVFGLSA-N 1 3 294.464 2.240 10 0 CEAEHO CN1CCC[C@@H]1CC[N@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249570535 371338678 /nfs/dbraw/zinc/33/86/78/371338678.db2.gz OEAPCVKAMAFOJO-ARFHVFGLSA-N 1 3 294.464 2.240 10 0 CEAEHO C[C@@H]1CN(C[C@H]2CCC3(CCCC3)O2)C[C@@H]1C[NH3+] ZINC000641818043 372764453 /nfs/dbraw/zinc/76/44/53/372764453.db2.gz CEWVLRWYLLQUJM-HZSPNIEDSA-N 1 3 252.402 2.005 10 0 CEAEHO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCNCC2)CCO1 ZINC000423021437 376935663 /nfs/dbraw/zinc/93/56/63/376935663.db2.gz FBWUBVFOSSZQTN-MJBXVCDLSA-N 1 3 254.418 2.312 10 0 CEAEHO CCN(CC(=O)Nc1cccc(F)c1)CC1CC[NH2+]CC1 ZINC000094025088 184750754 /nfs/dbraw/zinc/75/07/54/184750754.db2.gz IHIRQLWABCWQOH-UHFFFAOYSA-N 1 3 293.386 2.086 10 0 CEAEHO C[C@@H]([NH3+])c1ccccc1N1CCN2CCCC[C@@H]2C1 ZINC000094439684 135088001 /nfs/dbraw/zinc/08/80/01/135088001.db2.gz UBQRHBAILNJCCB-ZIAGYGMSSA-N 1 3 259.397 2.381 10 0 CEAEHO C[NH+](C)CC(C)(C)CN[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000130102916 394881384 /nfs/dbraw/zinc/88/13/84/394881384.db2.gz JQAINLFEVROKFP-ZDUSSCGKSA-N 1 3 299.459 2.173 10 0 CEAEHO CC(C)[NH2+]CCC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000381047267 395171260 /nfs/dbraw/zinc/17/12/60/395171260.db2.gz FZSJEQROZTYOSV-HNNXBMFYSA-N 1 3 291.439 2.011 10 0 CEAEHO C[C@H](N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400414588 395251843 /nfs/dbraw/zinc/25/18/43/395251843.db2.gz VADMUNJMIUQYEA-MXSMSXNCSA-N 1 3 287.451 2.237 10 0 CEAEHO COc1ccc(CC[C@@](C)(C[NH3+])N2CCCC2)cc1 ZINC000037497414 173236359 /nfs/dbraw/zinc/23/63/59/173236359.db2.gz JYVQHAMSZSBVFC-INIZCTEOSA-N 1 3 262.397 2.441 10 0 CEAEHO CCOC1CC[NH+]([C@H]2C[C@H](C)CC[C@@H]2CN)CC1 ZINC000040678505 174374854 /nfs/dbraw/zinc/37/48/54/174374854.db2.gz PBGPIEAJBFVPHK-NFAWXSAZSA-N 1 3 254.418 2.251 10 0 CEAEHO c1ccc(CN2CCC[C@H](C[NH2+]C3CCNCC3)C2)cc1 ZINC000309743092 414855524 /nfs/dbraw/zinc/85/55/24/414855524.db2.gz SPWOPCYVMWSNLU-QGZVFWFLSA-N 1 3 287.451 2.240 10 0 CEAEHO Cc1cc(NCC23CC(C2)C[NH2+]3)c2ccccc2n1 ZINC000663274806 414900488 /nfs/dbraw/zinc/90/04/88/414900488.db2.gz WEHYLBOLNJNDOB-UHFFFAOYSA-N 1 3 253.349 2.129 10 0 CEAEHO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CCN(C(C)C)CC1 ZINC000043897055 175119789 /nfs/dbraw/zinc/11/97/89/175119789.db2.gz UUDREJYXVLVRRE-JYJNAYRXSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[NH2+][C@H]1c2ccccc2C[C@@H]1N1CCN(C(C)C)CC1 ZINC000043897097 175119862 /nfs/dbraw/zinc/11/98/62/175119862.db2.gz BUPOFDHILCMXER-ROUUACIJSA-N 1 3 287.451 2.288 10 0 CEAEHO CCCC(C[NH3+])(CCC)C(=O)N(C)C1CCN(CC)CC1 ZINC000044807921 175256894 /nfs/dbraw/zinc/25/68/94/175256894.db2.gz GZHZFBDETYRYIJ-UHFFFAOYSA-N 1 3 297.487 2.474 10 0 CEAEHO CCCC(C[NH3+])(CCC)C(=O)NC[C@H]1CCCCN1C ZINC000044808429 175257203 /nfs/dbraw/zinc/25/72/03/175257203.db2.gz AGSUPGFOOBWJBA-CQSZACIVSA-N 1 3 283.460 2.132 10 0 CEAEHO CC[C@H]1CSC(NC[C@H]2CC[N@@H+](C(C)C)C2)=N1 ZINC000045136107 175313351 /nfs/dbraw/zinc/31/33/51/175313351.db2.gz FSDHSVFNMKMBTR-NEPJUHHUSA-N 1 3 255.431 2.188 10 0 CEAEHO CC[C@H]1CSC(NC[C@H]2CC[N@H+](C(C)C)C2)=N1 ZINC000045136107 175313352 /nfs/dbraw/zinc/31/33/52/175313352.db2.gz FSDHSVFNMKMBTR-NEPJUHHUSA-N 1 3 255.431 2.188 10 0 CEAEHO CC[C@@H](C)N1CCN(Cc2ccc(CC[NH3+])cc2)CC1 ZINC000070553364 175982100 /nfs/dbraw/zinc/98/21/00/175982100.db2.gz WPJKEAHEVQEUCL-OAHLLOKOSA-N 1 3 275.440 2.104 10 0 CEAEHO CC(C)(C)N1CCN(Cc2ccccc2CC[NH3+])CC1 ZINC000070553272 175982431 /nfs/dbraw/zinc/98/24/31/175982431.db2.gz VJSKSOMKOWVZKW-UHFFFAOYSA-N 1 3 275.440 2.104 10 0 CEAEHO CC[C@H]1CCC[C@@](C[NH3+])(N(CCCOC)CCOC)C1 ZINC000071124063 176034968 /nfs/dbraw/zinc/03/49/68/176034968.db2.gz TUXQLLNNEBOSBD-JKSUJKDBSA-N 1 3 286.460 2.269 10 0 CEAEHO CC[C@@H]1CCC[C@H](N(CCOC)CCC(N)=[NH2+])C1 ZINC000071149874 176045003 /nfs/dbraw/zinc/04/50/03/176045003.db2.gz KCLXJUHSDJZLQS-OLZOCXBDSA-N 1 3 255.406 2.230 10 0 CEAEHO CC[C@H](N)[C@@H]([N@H+](C)C[C@@H]1CCN(C)C1)C(C)(C)C ZINC000071187976 176061929 /nfs/dbraw/zinc/06/19/29/176061929.db2.gz AQSSEPRIXDAHRB-HZSPNIEDSA-N 1 3 255.450 2.022 10 0 CEAEHO CC[C@H](N)[C@@H]([N@@H+](C)C[C@@H]1CCN(C)C1)C(C)(C)C ZINC000071187976 176061931 /nfs/dbraw/zinc/06/19/31/176061931.db2.gz AQSSEPRIXDAHRB-HZSPNIEDSA-N 1 3 255.450 2.022 10 0 CEAEHO CN(C[C@H]1CC[N@H+](C)C1)c1cccc(CNC(C)(C)C)n1 ZINC000071191783 176071584 /nfs/dbraw/zinc/07/15/84/176071584.db2.gz VMXLTDKMZCUQPE-AWEZNQCLSA-N 1 3 290.455 2.358 10 0 CEAEHO CN(C[C@H]1CC[N@@H+](C)C1)c1cccc(CNC(C)(C)C)n1 ZINC000071191783 176071585 /nfs/dbraw/zinc/07/15/85/176071585.db2.gz VMXLTDKMZCUQPE-AWEZNQCLSA-N 1 3 290.455 2.358 10 0 CEAEHO CCCNCc1coc(CN(C)C[C@H]2CC[N@H+](C)C2)c1 ZINC000071191827 176072876 /nfs/dbraw/zinc/07/28/76/176072876.db2.gz XMIZGZACXJZMHT-AWEZNQCLSA-N 1 3 279.428 2.163 10 0 CEAEHO CCCNCc1coc(CN(C)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000071191827 176072878 /nfs/dbraw/zinc/07/28/78/176072878.db2.gz XMIZGZACXJZMHT-AWEZNQCLSA-N 1 3 279.428 2.163 10 0 CEAEHO CCC[NH2+][C@@H]1CCCN([C@@H](CC(C)C)CN(C)C)C1 ZINC000071200585 176077457 /nfs/dbraw/zinc/07/74/57/176077457.db2.gz VSRSGKUVGCEYQS-CVEARBPZSA-N 1 3 269.477 2.427 10 0 CEAEHO N=C1c2cc(F)ccc2CN1[C@H]1CC[N@@H+](C2CC2)C1 ZINC000071269059 176102855 /nfs/dbraw/zinc/10/28/55/176102855.db2.gz USVHJYDSJBBNMA-ZDUSSCGKSA-N 1 3 259.328 2.203 10 0 CEAEHO N=C1c2cc(F)ccc2CN1[C@H]1CC[N@H+](C2CC2)C1 ZINC000071269059 176102856 /nfs/dbraw/zinc/10/28/56/176102856.db2.gz USVHJYDSJBBNMA-ZDUSSCGKSA-N 1 3 259.328 2.203 10 0 CEAEHO CC[NH+](CC)CCOc1ccc(C)cc1CNC ZINC000071403734 176155521 /nfs/dbraw/zinc/15/55/21/176155521.db2.gz XVZCHVZPDQNQLD-UHFFFAOYSA-N 1 3 250.386 2.435 10 0 CEAEHO CO[C@@H]1CC[C@H](N[C@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000261553667 277296512 /nfs/dbraw/zinc/29/65/12/277296512.db2.gz ALDBSGGSDAOQFU-CBBWQLFWSA-N 1 3 254.418 2.454 10 0 CEAEHO CC[C@H]1CCCC[C@@H]1NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333466416 281066073 /nfs/dbraw/zinc/06/60/73/281066073.db2.gz HMTILSQFKZKWTD-JSGCOSHPSA-N 1 3 291.443 2.330 10 0 CEAEHO C[C@@H](NC1CC(OCc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000573952776 314187012 /nfs/dbraw/zinc/18/70/12/314187012.db2.gz VTLOHGLIBJQOJZ-PMRDFSHISA-N 1 3 274.408 2.322 10 0 CEAEHO CCC[NH2+]CC1(CN(C)CC2CC2)CCOCC1 ZINC000052182150 519909554 /nfs/dbraw/zinc/90/95/54/519909554.db2.gz UDMQIVNNFJCOGH-UHFFFAOYSA-N 1 3 254.418 2.125 10 0 CEAEHO CC[NH2+][C@H]1CCC[C@H]1CN1CCCC[C@@H]1CCO ZINC000053863729 520215333 /nfs/dbraw/zinc/21/53/33/520215333.db2.gz XOFHIBSPCOVRRT-ZNMIVQPWSA-N 1 3 254.418 2.002 10 0 CEAEHO CCO[C@@H](C[NH3+])CCN(Cc1cccs1)C1CC1 ZINC000062741069 520307737 /nfs/dbraw/zinc/30/77/37/520307737.db2.gz JSFMBLNQGDMWFS-CYBMUJFWSA-N 1 3 268.426 2.466 10 0 CEAEHO CCC(CC)(C[NH3+])CN1CCN(C2CCCC2)CC1 ZINC000052063734 521426694 /nfs/dbraw/zinc/42/66/94/521426694.db2.gz JPDAVXVNZXSRBD-UHFFFAOYSA-N 1 3 267.461 2.312 10 0 CEAEHO CCC(CC)[N@H+](CCOC)Cc1cccnc1CN ZINC000061656836 521559986 /nfs/dbraw/zinc/55/99/86/521559986.db2.gz ODCDCCIBNPQZQH-UHFFFAOYSA-N 1 3 265.401 2.177 10 0 CEAEHO CCC(CC)[N@@H+](CCOC)Cc1cccnc1CN ZINC000061656836 521559994 /nfs/dbraw/zinc/55/99/94/521559994.db2.gz ODCDCCIBNPQZQH-UHFFFAOYSA-N 1 3 265.401 2.177 10 0 CEAEHO C[NH+](C)CCOCc1ccc(CNC(C)(C)C)o1 ZINC000052669569 521793793 /nfs/dbraw/zinc/79/37/93/521793793.db2.gz UYOQBSNLLMSCJF-UHFFFAOYSA-N 1 3 254.374 2.246 10 0 CEAEHO CC[C@H](C[NH2+]C1CC1)N1CCN(C2CCCC2)CC1 ZINC000052573468 522192404 /nfs/dbraw/zinc/19/24/04/522192404.db2.gz SJOYYSDLBSLBRU-OAHLLOKOSA-N 1 3 265.445 2.077 10 0 CEAEHO CC[C@@H](C[NH2+]C(C)(C)C)N1CCN(CC2CC2)CC1 ZINC000052372417 522543337 /nfs/dbraw/zinc/54/33/37/522543337.db2.gz LRKFAAKFMHMREB-HNNXBMFYSA-N 1 3 267.461 2.181 10 0 CEAEHO CC(C)=CCN1CCC([NH2+][C@H](C)CCN(C)C)CC1 ZINC000049554235 519427317 /nfs/dbraw/zinc/42/73/17/519427317.db2.gz AOZNTAHYOAKSDY-OAHLLOKOSA-N 1 3 267.461 2.347 10 0 CEAEHO CC(C)[NH2+]CC1(CN2CCC[C@H]2CCCO)CCOCC1 ZINC000052763425 519719750 /nfs/dbraw/zinc/71/97/50/519719750.db2.gz DPTRAKUBEYEVNK-INIZCTEOSA-N 1 3 298.471 2.018 10 0 CEAEHO CC(C)[NH2+]C[C@H](C(C)C)N1CCN(C(C)C)CC1 ZINC000052479956 519724433 /nfs/dbraw/zinc/72/44/33/519724433.db2.gz LLAGUPBTKWGAEC-OAHLLOKOSA-N 1 3 255.450 2.035 10 0 CEAEHO CC(C)[NH2+]C[C@H](c1ccccc1)N1CCCN(C)CC1 ZINC000052424436 519724666 /nfs/dbraw/zinc/72/46/66/519724666.db2.gz WEKZYJLHAOCEJS-QGZVFWFLSA-N 1 3 275.440 2.363 10 0 CEAEHO CC(C)CN1CCN([C@H](C[NH2+]C2CC2)C(C)C)CC1 ZINC000055082982 519727952 /nfs/dbraw/zinc/72/79/52/519727952.db2.gz PHHYZGCMGCQYNY-MRXNPFEDSA-N 1 3 267.461 2.037 10 0 CEAEHO CC(C)[NH2+]Cc1cnc(N(C)[C@@H]2CCCN(C)C2)s1 ZINC000054905572 519728702 /nfs/dbraw/zinc/72/87/02/519728702.db2.gz DULWJPLHPKNVJR-GFCCVEGCSA-N 1 3 282.457 2.172 10 0 CEAEHO CCCC1CC[NH+](CCC[C@](C)(NCC)C(N)=O)CC1 ZINC000050905785 519900774 /nfs/dbraw/zinc/90/07/74/519900774.db2.gz DXLKNSKKLMCEGO-INIZCTEOSA-N 1 3 283.460 2.132 10 0 CEAEHO CCCNCc1ccc(CN2CCC[C@H]2C[NH+](C)C)o1 ZINC000061654490 519948362 /nfs/dbraw/zinc/94/83/62/519948362.db2.gz FWHSGXBVUJGYBR-AWEZNQCLSA-N 1 3 279.428 2.305 10 0 CEAEHO CCC[NH2+]Cc1ccc(N2CCN(CC(C)C)CC2)nc1 ZINC000055082484 519949990 /nfs/dbraw/zinc/94/99/90/519949990.db2.gz ADQFNEDFAVPLIA-UHFFFAOYSA-N 1 3 290.455 2.359 10 0 CEAEHO CC[NH2+]Cc1ccc(CN2CCN(C(C)C)CC2)cc1 ZINC000052480109 519994608 /nfs/dbraw/zinc/99/46/08/519994608.db2.gz RMYHPTINPVDXPT-UHFFFAOYSA-N 1 3 275.440 2.322 10 0 CEAEHO CC[NH2+]Cc1ccccc1CN1CCN(C2CC2)CC1 ZINC000052371418 520008190 /nfs/dbraw/zinc/00/81/90/520008190.db2.gz IVILCFYWXBLPJJ-UHFFFAOYSA-N 1 3 273.424 2.076 10 0 CEAEHO CCC[NH2+][C@H](CN1CCN([C@@H](C)CC)CC1)C1CC1 ZINC000069075025 520082784 /nfs/dbraw/zinc/08/27/84/520082784.db2.gz OAQLYSLJHJSICI-GOEBONIOSA-N 1 3 267.461 2.181 10 0 CEAEHO CCCN[C@H]1COc2cc(OCC[NH+](C)C)ccc21 ZINC000062805212 520097323 /nfs/dbraw/zinc/09/73/23/520097323.db2.gz NYAWLGSJZKBEFD-AWEZNQCLSA-N 1 3 264.369 2.060 10 0 CEAEHO CC[NH2+][C@@H]1CCCC[C@@H]1CN1CCN(CC(C)C)CC1 ZINC000055082090 520117383 /nfs/dbraw/zinc/11/73/83/520117383.db2.gz UFIZGRBEULWXLN-IAGOWNOFSA-N 1 3 281.488 2.428 10 0 CEAEHO CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1CN1CCC[C@@H]1CO ZINC000054560320 520219212 /nfs/dbraw/zinc/21/92/12/520219212.db2.gz LYLZDKCRXVEJHH-HZMVEIRTSA-N 1 3 282.472 2.494 10 0 CEAEHO CCCCN(CCO)[C@H](CC[NH3+])c1ccccc1 ZINC000055016761 520525647 /nfs/dbraw/zinc/52/56/47/520525647.db2.gz BEBBGRKNOAOXSW-OAHLLOKOSA-N 1 3 250.386 2.171 10 0 CEAEHO CC[NH+](CC)CCOc1cccc(CNCCOC)c1 ZINC000062731605 520699451 /nfs/dbraw/zinc/69/94/51/520699451.db2.gz HBKGOHMJRWUHNN-UHFFFAOYSA-N 1 3 280.412 2.143 10 0 CEAEHO CC[NH+]1CCC(N(C)Cc2cc(CNC)oc2C)CC1 ZINC000052544067 521564969 /nfs/dbraw/zinc/56/49/69/521564969.db2.gz UAGODYMSEMGTFM-UHFFFAOYSA-N 1 3 279.428 2.224 10 0 CEAEHO CCCN(CCN(C)C)c1ncc([C@@H](C)[NH2+]C)s1 ZINC000054908152 521659041 /nfs/dbraw/zinc/65/90/41/521659041.db2.gz JWIVUGSERYQRTC-LLVKDONJSA-N 1 3 270.446 2.202 10 0 CEAEHO CCN1CCN(Cc2ccccc2C[NH2+]C2CC2)CC1 ZINC000052422540 521689241 /nfs/dbraw/zinc/68/92/41/521689241.db2.gz CAQMTJVPPSQOCH-UHFFFAOYSA-N 1 3 273.424 2.076 10 0 CEAEHO C[NH+](C)CCOCc1c2ccccc2sc1CN ZINC000052669716 521795700 /nfs/dbraw/zinc/79/57/00/521795700.db2.gz KTUUVNHFTHGQSZ-UHFFFAOYSA-N 1 3 264.394 2.438 10 0 CEAEHO CC[C@@H](C)[N@H+](CC)CCn1cc(CNCC(C)C)nn1 ZINC000052451268 522086620 /nfs/dbraw/zinc/08/66/20/522086620.db2.gz HVCBZRVCTDOCDE-CQSZACIVSA-N 1 3 281.448 2.144 10 0 CEAEHO CC[C@@H](C)[N@@H+](CC)CCn1cc(CNCC(C)C)nn1 ZINC000052451268 522086627 /nfs/dbraw/zinc/08/66/27/522086627.db2.gz HVCBZRVCTDOCDE-CQSZACIVSA-N 1 3 281.448 2.144 10 0 CEAEHO C[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2cccc(F)c2)O1 ZINC000052425381 522094419 /nfs/dbraw/zinc/09/44/19/522094419.db2.gz GXITTYJDEJBNGY-CABCVRRESA-N 1 3 266.360 2.025 10 0 CEAEHO C[NH2+]Cc1c(C)cc(C)nc1N1CCN(CC(C)C)CC1 ZINC000055082448 522098985 /nfs/dbraw/zinc/09/89/85/522098985.db2.gz XLSUAQHFSLXJPL-UHFFFAOYSA-N 1 3 290.455 2.196 10 0 CEAEHO C[NH2+]Cc1oc(CN2CCN(C(C)(C)C)CC2)cc1C ZINC000052571725 522159528 /nfs/dbraw/zinc/15/95/28/522159528.db2.gz BGBKDZDWGUDXQU-UHFFFAOYSA-N 1 3 279.428 2.224 10 0 CEAEHO C[NH2+]Cc1sc(N2CCN(C3CCCC3)CC2)nc1C ZINC000054998314 522166528 /nfs/dbraw/zinc/16/65/28/522166528.db2.gz PRILJUPWNUSDLP-UHFFFAOYSA-N 1 3 294.468 2.236 10 0 CEAEHO C[NH2+][C@H]1CCc2c1cccc2OCCN1CCCC1 ZINC000062799045 522506101 /nfs/dbraw/zinc/50/61/01/522506101.db2.gz SROWEFZTUAFNRY-HNNXBMFYSA-N 1 3 260.381 2.368 10 0 CEAEHO C[NH2+][C@H]1c2ccccc2C[C@@H]1N1CCN(CC(C)C)CC1 ZINC000055078857 522509719 /nfs/dbraw/zinc/50/97/19/522509719.db2.gz GNVLYRGHKDJUMH-ROUUACIJSA-N 1 3 287.451 2.145 10 0 CEAEHO CC[C@@H]([NH3+])[C@@H](c1ccncc1)N1CCN(CC(C)C)CC1 ZINC000055077045 522649638 /nfs/dbraw/zinc/64/96/38/522649638.db2.gz NCSIWUINCAFIKB-IAGOWNOFSA-N 1 3 290.455 2.134 10 0 CEAEHO COC1CCN([C@@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055022782 522707938 /nfs/dbraw/zinc/70/79/38/522707938.db2.gz YISNEKQWJHMGTM-AWEZNQCLSA-N 1 3 261.369 2.165 10 0 CEAEHO CC[C@@H]1CCCC[N@@H+]1CC1(CNC)CCOCC1 ZINC000052181311 523167533 /nfs/dbraw/zinc/16/75/33/523167533.db2.gz RXJLNZOXCMOZHB-CQSZACIVSA-N 1 3 254.418 2.267 10 0 CEAEHO CC[C@@H]1CCCC[N@H+]1CC1(CNC)CCOCC1 ZINC000052181311 523167540 /nfs/dbraw/zinc/16/75/40/523167540.db2.gz RXJLNZOXCMOZHB-CQSZACIVSA-N 1 3 254.418 2.267 10 0 CEAEHO COCCN(C[C@@H](C)C[NH2+]C(C)C)[C@@H](C)C1CC1 ZINC000052545310 523730647 /nfs/dbraw/zinc/73/06/47/523730647.db2.gz MPBJGBGGWSNTHN-KBPBESRZSA-N 1 3 256.434 2.367 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000055074744 523954870 /nfs/dbraw/zinc/95/48/70/523954870.db2.gz QSEFDWGEVFLTDC-GJZGRUSLSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C[NH3+])c2ccc(C)s2)CC1 ZINC000055063805 523959311 /nfs/dbraw/zinc/95/93/11/523959311.db2.gz HEJACUXUUVTISX-GXTWGEPZSA-N 1 3 281.469 2.472 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C[NH3+])c2c(F)cccc2F)CC1 ZINC000055064855 523959694 /nfs/dbraw/zinc/95/96/94/523959694.db2.gz DPMUELFPSOFLGP-SWLSCSKDSA-N 1 3 297.393 2.381 10 0 CEAEHO C[C@H](CCC[NH3+])O[C@H]1CCN(Cc2ccccc2)C1 ZINC000061702321 524140339 /nfs/dbraw/zinc/14/03/39/524140339.db2.gz VFBMAOARNFMFBO-ZBFHGGJFSA-N 1 3 262.397 2.405 10 0 CEAEHO NC(=[NH2+])C[C@@H](c1ccccc1)N1CCC[C@@H]1CCCO ZINC000055023435 526816627 /nfs/dbraw/zinc/81/66/27/526816627.db2.gz FMAZOJZVQXMZJE-CABCVRRESA-N 1 3 275.396 2.291 10 0 CEAEHO Cc1nc(N2CCC([NH+]3CCCCC3)CC2)sc1CN ZINC000054998388 526962445 /nfs/dbraw/zinc/96/24/45/526962445.db2.gz VDSVWXRIDVZXJD-UHFFFAOYSA-N 1 3 294.468 2.365 10 0 CEAEHO NCC[C@H](c1ccccc1)[N@@H+]1CCCC[C@@H]1CCO ZINC000055015178 527192768 /nfs/dbraw/zinc/19/27/68/527192768.db2.gz VIXORDFLZPMNGK-HZPDHXFCSA-N 1 3 262.397 2.313 10 0 CEAEHO NCC[C@H](c1ccccc1)[N@H+]1CCCC[C@@H]1CCO ZINC000055015178 527192775 /nfs/dbraw/zinc/19/27/75/527192775.db2.gz VIXORDFLZPMNGK-HZPDHXFCSA-N 1 3 262.397 2.313 10 0 CEAEHO [NH3+]CC[C@H](c1ccccc1)N1CCCC[C@@H]1CCO ZINC000055015178 527192781 /nfs/dbraw/zinc/19/27/81/527192781.db2.gz VIXORDFLZPMNGK-HZPDHXFCSA-N 1 3 262.397 2.313 10 0 CEAEHO [NH3+][C@H]1CCc2c1cccc2OCCN1CCCCC1 ZINC000062798438 527416058 /nfs/dbraw/zinc/41/60/58/527416058.db2.gz PWIDXLWZYOVMRQ-HNNXBMFYSA-N 1 3 260.381 2.497 10 0 CEAEHO CC(C)[C@H]1N[C@]2(CCC[N@H+](C)CC2)OCC1(C)C ZINC000757142702 574510239 /nfs/dbraw/zinc/51/02/39/574510239.db2.gz DGASPWYKVFWDAY-UKRRQHHQSA-N 1 3 254.418 2.469 10 0 CEAEHO CC(C)[C@H]1N[C@]2(CCC[N@@H+](C)CC2)OCC1(C)C ZINC000757142702 574510240 /nfs/dbraw/zinc/51/02/40/574510240.db2.gz DGASPWYKVFWDAY-UKRRQHHQSA-N 1 3 254.418 2.469 10 0 CEAEHO CC(C)[C@H]1[NH2+][C@]2(CCCN(C)CC2)OCC1(C)C ZINC000757142702 574510241 /nfs/dbraw/zinc/51/02/41/574510241.db2.gz DGASPWYKVFWDAY-UKRRQHHQSA-N 1 3 254.418 2.469 10 0 CEAEHO Cc1cc(C)cc([C@H](O)C[N@@H+](C)C[C@@H]2CCN(C)C2)c1 ZINC000133474313 652630915 /nfs/dbraw/zinc/63/09/15/652630915.db2.gz DNNNZGSERCMJKH-NVXWUHKLSA-N 1 3 276.424 2.220 10 0 CEAEHO Cc1cc(C)cc([C@H](O)C[N@H+](C)C[C@@H]2CCN(C)C2)c1 ZINC000133474313 652630917 /nfs/dbraw/zinc/63/09/17/652630917.db2.gz DNNNZGSERCMJKH-NVXWUHKLSA-N 1 3 276.424 2.220 10 0 CEAEHO CC(C)CC[N@H+](C1CC1)[C@@]1(CN)CCCN(C)CC1 ZINC000096889381 185123777 /nfs/dbraw/zinc/12/37/77/185123777.db2.gz IABAVGNKDHOCFA-INIZCTEOSA-N 1 3 267.461 2.310 10 0 CEAEHO CC(C)CC[N@@H+](C1CC1)[C@@]1(CN)CCCN(C)CC1 ZINC000096889381 185123778 /nfs/dbraw/zinc/12/37/78/185123778.db2.gz IABAVGNKDHOCFA-INIZCTEOSA-N 1 3 267.461 2.310 10 0 CEAEHO [NH3+]C[C@@H]1CCO[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000096949611 185139303 /nfs/dbraw/zinc/13/93/03/185139303.db2.gz OESZXCWZYXXBBP-CVEARBPZSA-N 1 3 260.381 2.016 10 0 CEAEHO CN(C)Cc1ccc(NC(=O)C2CCC([NH3+])CC2)cc1 ZINC000037629938 343430181 /nfs/dbraw/zinc/43/01/81/343430181.db2.gz FSZXRDLSXZMFIW-UHFFFAOYSA-N 1 3 275.396 2.204 10 0 CEAEHO COc1cccc([C@@]23CCN(C)[C@@H](C[C@H]([NH3+])C2)C3)c1 ZINC000584624858 344968342 /nfs/dbraw/zinc/96/83/42/344968342.db2.gz FSEJGVIGKUJPSS-DZKIICNBSA-N 1 3 260.381 2.148 10 0 CEAEHO CCO[C@H]1C[C@@H]([NH2+]C[C@@H]2CCN(CC)C2)C1(C)C ZINC000085385124 179046353 /nfs/dbraw/zinc/04/63/53/179046353.db2.gz NPVVDROYLMREOO-MJBXVCDLSA-N 1 3 254.418 2.121 10 0 CEAEHO Cc1nccn1CC[N@@H+]1C[C@@H](C2CC2)NC[C@@]1(C)C1CC1 ZINC000085529401 179091510 /nfs/dbraw/zinc/09/15/10/179091510.db2.gz QDWNIWPZFLYPTC-IRXDYDNUSA-N 1 3 288.439 2.044 10 0 CEAEHO Cc1nccn1CC[N@H+]1C[C@@H](C2CC2)NC[C@@]1(C)C1CC1 ZINC000085529401 179091512 /nfs/dbraw/zinc/09/15/12/179091512.db2.gz QDWNIWPZFLYPTC-IRXDYDNUSA-N 1 3 288.439 2.044 10 0 CEAEHO C[C@H]1CCN[C@@H](C2CC2)C[N@@H+]1CCCOCC(F)(F)F ZINC000085626733 179106726 /nfs/dbraw/zinc/10/67/26/179106726.db2.gz ONYIYUGTBSCRGM-WCQYABFASA-N 1 3 294.361 2.418 10 0 CEAEHO C[C@H]1CCN[C@@H](C2CC2)C[N@H+]1CCCOCC(F)(F)F ZINC000085626733 179106728 /nfs/dbraw/zinc/10/67/28/179106728.db2.gz ONYIYUGTBSCRGM-WCQYABFASA-N 1 3 294.361 2.418 10 0 CEAEHO C[C@H]1CC[NH2+][C@@H](C2CC2)CN1CCCOCC(F)(F)F ZINC000085626733 179106729 /nfs/dbraw/zinc/10/67/29/179106729.db2.gz ONYIYUGTBSCRGM-WCQYABFASA-N 1 3 294.361 2.418 10 0 CEAEHO C[C@H]1CCN[C@@H](C2CC2)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085626610 179106945 /nfs/dbraw/zinc/10/69/45/179106945.db2.gz RBUAJFVMVWFMNX-AEGPPILISA-N 1 3 252.402 2.018 10 0 CEAEHO C[C@H]1CCN[C@@H](C2CC2)C[N@H+]1C[C@@H]1CCCCO1 ZINC000085626610 179106946 /nfs/dbraw/zinc/10/69/46/179106946.db2.gz RBUAJFVMVWFMNX-AEGPPILISA-N 1 3 252.402 2.018 10 0 CEAEHO C([C@H]1CCCO1)[N@@H+]1CCCNC2(CCCCC2)C1 ZINC000085610452 179101892 /nfs/dbraw/zinc/10/18/92/179101892.db2.gz OFLVFTFIFHUWTJ-CQSZACIVSA-N 1 3 252.402 2.164 10 0 CEAEHO C([C@H]1CCCO1)[N@H+]1CCCNC2(CCCCC2)C1 ZINC000085610452 179101894 /nfs/dbraw/zinc/10/18/94/179101894.db2.gz OFLVFTFIFHUWTJ-CQSZACIVSA-N 1 3 252.402 2.164 10 0 CEAEHO C[C@H](CC[NH+](C)C)N1CCN[C@@](C)(c2ccccc2)C1 ZINC000086144719 179237693 /nfs/dbraw/zinc/23/76/93/179237693.db2.gz FMVWOWPXUGIGFD-NVXWUHKLSA-N 1 3 275.440 2.147 10 0 CEAEHO CCN1CC[C@H](C[N@@H+]2C[C@H](C(C)C)NC[C@@H]2C(C)C)C1 ZINC000086171837 179243741 /nfs/dbraw/zinc/24/37/41/179243741.db2.gz ZWDJAZIYFMYXLL-GVDBMIGSSA-N 1 3 281.488 2.283 10 0 CEAEHO CCN1CC[C@H](C[N@H+]2C[C@H](C(C)C)NC[C@@H]2C(C)C)C1 ZINC000086171837 179243743 /nfs/dbraw/zinc/24/37/43/179243743.db2.gz ZWDJAZIYFMYXLL-GVDBMIGSSA-N 1 3 281.488 2.283 10 0 CEAEHO CC[C@@H]1CN[C@H](C(C)C)C[N@@H+]1C[C@@H]1CCCCN1C ZINC000086173733 179245106 /nfs/dbraw/zinc/24/51/06/179245106.db2.gz SNJHGDNDPGEULX-PMPSAXMXSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1CN[C@H](C(C)C)C[N@H+]1C[C@@H]1CCCCN1C ZINC000086173733 179245107 /nfs/dbraw/zinc/24/51/07/179245107.db2.gz SNJHGDNDPGEULX-PMPSAXMXSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1C[C@@H]1CCCCN1C ZINC000086173733 179245108 /nfs/dbraw/zinc/24/51/08/179245108.db2.gz SNJHGDNDPGEULX-PMPSAXMXSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1CN[C@H](CC(C)C)C[N@@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182729 179247995 /nfs/dbraw/zinc/24/79/95/179247995.db2.gz WDEUUCCBASSKTH-IXDOHACOSA-N 1 3 279.472 2.179 10 0 CEAEHO CC[C@H]1CN[C@H](CC(C)C)C[N@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182729 179247997 /nfs/dbraw/zinc/24/79/97/179247997.db2.gz WDEUUCCBASSKTH-IXDOHACOSA-N 1 3 279.472 2.179 10 0 CEAEHO CC[C@@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182543 179248202 /nfs/dbraw/zinc/24/82/02/179248202.db2.gz DHIDTUDNBXPRNN-BZUAXINKSA-N 1 3 279.472 2.179 10 0 CEAEHO CC[C@@H]1CN[C@@H](C(C)(C)C)C[N@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182543 179248204 /nfs/dbraw/zinc/24/82/04/179248204.db2.gz DHIDTUDNBXPRNN-BZUAXINKSA-N 1 3 279.472 2.179 10 0 CEAEHO CCC[C@@H]1C[N@H+](C[C@@H]2CCN(CC)C2)[C@H](C(C)C)CN1 ZINC000086223070 179251055 /nfs/dbraw/zinc/25/10/55/179251055.db2.gz DDUXYZJLJWAJPA-ZACQAIPSSA-N 1 3 281.488 2.427 10 0 CEAEHO CCC[C@@H]1C[N@@H+](C[C@@H]2CCN(CC)C2)[C@H](C(C)C)CN1 ZINC000086223070 179251057 /nfs/dbraw/zinc/25/10/57/179251057.db2.gz DDUXYZJLJWAJPA-ZACQAIPSSA-N 1 3 281.488 2.427 10 0 CEAEHO CC(C)C[C@H]1C[N@H+](C[C@@H]2CCN(C)C2)[C@H](C(C)C)CN1 ZINC000086223171 179252027 /nfs/dbraw/zinc/25/20/27/179252027.db2.gz HZQHXSJMIQOMLJ-IKGGRYGDSA-N 1 3 281.488 2.283 10 0 CEAEHO CC(C)C[C@H]1C[N@@H+](C[C@@H]2CCN(C)C2)[C@H](C(C)C)CN1 ZINC000086223171 179252030 /nfs/dbraw/zinc/25/20/30/179252030.db2.gz HZQHXSJMIQOMLJ-IKGGRYGDSA-N 1 3 281.488 2.283 10 0 CEAEHO CC[C@H]1CN[C@@H](CC(C)C)C[N@@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182736 179247827 /nfs/dbraw/zinc/24/78/27/179247827.db2.gz WDEUUCCBASSKTH-YESZJQIVSA-N 1 3 279.472 2.179 10 0 CEAEHO CC[C@H]1CN[C@@H](CC(C)C)C[N@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182736 179247828 /nfs/dbraw/zinc/24/78/28/179247828.db2.gz WDEUUCCBASSKTH-YESZJQIVSA-N 1 3 279.472 2.179 10 0 CEAEHO CC(C)[C@H]1CNC(C)(C)C[N@@H+]1C[C@@H]1CCCCN1C ZINC000086259328 179258712 /nfs/dbraw/zinc/25/87/12/179258712.db2.gz LYEBKUSILAMSFB-LSDHHAIUSA-N 1 3 267.461 2.179 10 0 CEAEHO CC(C)[C@H]1CNC(C)(C)C[N@H+]1C[C@@H]1CCCCN1C ZINC000086259328 179258714 /nfs/dbraw/zinc/25/87/14/179258714.db2.gz LYEBKUSILAMSFB-LSDHHAIUSA-N 1 3 267.461 2.179 10 0 CEAEHO CC(C)[C@H]1CN[C@H](C2CC2)C[N@@H+]1[C@@H](C)CCN(C)C ZINC000086255776 179256740 /nfs/dbraw/zinc/25/67/40/179256740.db2.gz QWYFREUKQFVZKV-CWRNSKLLSA-N 1 3 267.461 2.035 10 0 CEAEHO CC(C)[C@H]1CN[C@H](C2CC2)C[N@H+]1[C@@H](C)CCN(C)C ZINC000086255776 179256742 /nfs/dbraw/zinc/25/67/42/179256742.db2.gz QWYFREUKQFVZKV-CWRNSKLLSA-N 1 3 267.461 2.035 10 0 CEAEHO C(C[N@@H+]1CCCNC2(CCCC2)C1)[C@H]1CCCO1 ZINC000086291390 179265724 /nfs/dbraw/zinc/26/57/24/179265724.db2.gz OAGYJDZZHQFJNF-CQSZACIVSA-N 1 3 252.402 2.164 10 0 CEAEHO C(C[N@H+]1CCCNC2(CCCC2)C1)[C@H]1CCCO1 ZINC000086291390 179265725 /nfs/dbraw/zinc/26/57/25/179265725.db2.gz OAGYJDZZHQFJNF-CQSZACIVSA-N 1 3 252.402 2.164 10 0 CEAEHO C(CN1CCC[NH2+]C2(CCCC2)C1)[C@H]1CCCO1 ZINC000086291390 179265726 /nfs/dbraw/zinc/26/57/26/179265726.db2.gz OAGYJDZZHQFJNF-CQSZACIVSA-N 1 3 252.402 2.164 10 0 CEAEHO CO[C@@H]1CCC[C@H]1[N@@H+]1CCCNC2(CCCC2)C1 ZINC000086293538 179267298 /nfs/dbraw/zinc/26/72/98/179267298.db2.gz GDVFXJXNYGERHL-ZIAGYGMSSA-N 1 3 252.402 2.162 10 0 CEAEHO CO[C@@H]1CCC[C@H]1[N@H+]1CCCNC2(CCCC2)C1 ZINC000086293538 179267300 /nfs/dbraw/zinc/26/73/00/179267300.db2.gz GDVFXJXNYGERHL-ZIAGYGMSSA-N 1 3 252.402 2.162 10 0 CEAEHO CO[C@@H]1CCC[C@H]1N1CCC[NH2+]C2(CCCC2)C1 ZINC000086293538 179267303 /nfs/dbraw/zinc/26/73/03/179267303.db2.gz GDVFXJXNYGERHL-ZIAGYGMSSA-N 1 3 252.402 2.162 10 0 CEAEHO CCC1(CC)C[N@@H+]([C@H]2CCC[C@@H]2OC)CCCN1 ZINC000086293600 179268350 /nfs/dbraw/zinc/26/83/50/179268350.db2.gz PHDBOCQQZVTNPJ-KBPBESRZSA-N 1 3 254.418 2.408 10 0 CEAEHO CCC1(CC)C[N@H+]([C@H]2CCC[C@@H]2OC)CCCN1 ZINC000086293600 179268351 /nfs/dbraw/zinc/26/83/51/179268351.db2.gz PHDBOCQQZVTNPJ-KBPBESRZSA-N 1 3 254.418 2.408 10 0 CEAEHO CCC1(CC)CN([C@H]2CCC[C@@H]2OC)CCC[NH2+]1 ZINC000086293600 179268353 /nfs/dbraw/zinc/26/83/53/179268353.db2.gz PHDBOCQQZVTNPJ-KBPBESRZSA-N 1 3 254.418 2.408 10 0 CEAEHO CN1CCC[C@@](CN)([N@H+](C)C2CCCCC2)CC1 ZINC000086819219 179348078 /nfs/dbraw/zinc/34/80/78/179348078.db2.gz LDSOKWDZEOAZQV-OAHLLOKOSA-N 1 3 253.434 2.064 10 0 CEAEHO CN1CCC[C@@](CN)([N@@H+](C)C2CCCCC2)CC1 ZINC000086819219 179348079 /nfs/dbraw/zinc/34/80/79/179348079.db2.gz LDSOKWDZEOAZQV-OAHLLOKOSA-N 1 3 253.434 2.064 10 0 CEAEHO CN1CCC[C@@](CN)([N@@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000086819500 179348449 /nfs/dbraw/zinc/34/84/49/179348449.db2.gz RYWRGDIYJGXHCG-IAGOWNOFSA-N 1 3 279.472 2.454 10 0 CEAEHO CN1CCC[C@@](CN)([N@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000086819500 179348450 /nfs/dbraw/zinc/34/84/50/179348450.db2.gz RYWRGDIYJGXHCG-IAGOWNOFSA-N 1 3 279.472 2.454 10 0 CEAEHO CCCC[N@H+](C1CC1)[C@]1(CN)CCCN(C)CC1 ZINC000086819414 179348671 /nfs/dbraw/zinc/34/86/71/179348671.db2.gz HKFCCGQBRHQORZ-OAHLLOKOSA-N 1 3 253.434 2.064 10 0 CEAEHO CCCC[N@@H+](C1CC1)[C@]1(CN)CCCN(C)CC1 ZINC000086819414 179348672 /nfs/dbraw/zinc/34/86/72/179348672.db2.gz HKFCCGQBRHQORZ-OAHLLOKOSA-N 1 3 253.434 2.064 10 0 CEAEHO C[N@@H+]1CCC[C@H](NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000086818815 179346900 /nfs/dbraw/zinc/34/69/00/179346900.db2.gz PPFQJQYCHDGICC-GJZGRUSLSA-N 1 3 260.381 2.064 10 0 CEAEHO C[N@H+]1CCC[C@H](NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000086818815 179346901 /nfs/dbraw/zinc/34/69/01/179346901.db2.gz PPFQJQYCHDGICC-GJZGRUSLSA-N 1 3 260.381 2.064 10 0 CEAEHO CCN1CCC[C@](CN)([N@H+](CC2CC2)C(C)C)CC1 ZINC000086848123 179357155 /nfs/dbraw/zinc/35/71/55/179357155.db2.gz GBZZSRJFZOWZOW-INIZCTEOSA-N 1 3 267.461 2.310 10 0 CEAEHO CCN1CCC[C@](CN)([N@@H+](CC2CC2)C(C)C)CC1 ZINC000086848123 179357157 /nfs/dbraw/zinc/35/71/57/179357157.db2.gz GBZZSRJFZOWZOW-INIZCTEOSA-N 1 3 267.461 2.310 10 0 CEAEHO CCN1CCC[C@H]([NH2+]CCCCn2ccnc2)CC1 ZINC000086843672 179352514 /nfs/dbraw/zinc/35/25/14/179352514.db2.gz RPRUEDGXKOCLKR-HNNXBMFYSA-N 1 3 264.417 2.127 10 0 CEAEHO CCN1CCC[C@](CN)([N@H+](CC2CC2)C2CC2)CC1 ZINC000086848958 179357795 /nfs/dbraw/zinc/35/77/95/179357795.db2.gz NVFSTXXYLBCYTH-INIZCTEOSA-N 1 3 265.445 2.064 10 0 CEAEHO CCN1CCC[C@](CN)([N@@H+](CC2CC2)C2CC2)CC1 ZINC000086848958 179357796 /nfs/dbraw/zinc/35/77/96/179357796.db2.gz NVFSTXXYLBCYTH-INIZCTEOSA-N 1 3 265.445 2.064 10 0 CEAEHO CC(C)N1CCC[C@H]([NH2+]CC2CCOCC2)CC1 ZINC000086845052 179354930 /nfs/dbraw/zinc/35/49/30/179354930.db2.gz WCDHYLKIGRVDGJ-HNNXBMFYSA-N 1 3 254.418 2.266 10 0 CEAEHO CCC[N@H+](C(C)C)[C@@]1(CN)CCCN(CC)CC1 ZINC000086846776 179355661 /nfs/dbraw/zinc/35/56/61/179355661.db2.gz JRWWSQGMEQGFEQ-HNNXBMFYSA-N 1 3 255.450 2.310 10 0 CEAEHO CCC[N@@H+](C(C)C)[C@@]1(CN)CCCN(CC)CC1 ZINC000086846776 179355662 /nfs/dbraw/zinc/35/56/62/179355662.db2.gz JRWWSQGMEQGFEQ-HNNXBMFYSA-N 1 3 255.450 2.310 10 0 CEAEHO CC[C@@H]1C[N@@H+]([C@@H]2CCCN(CC)CC2)[C@@H](CC)CN1 ZINC000086851262 179359246 /nfs/dbraw/zinc/35/92/46/179359246.db2.gz GXDFPIOHEXNJNR-OWCLPIDISA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@@H]1C[N@H+]([C@@H]2CCCN(CC)CC2)[C@@H](CC)CN1 ZINC000086851262 179359247 /nfs/dbraw/zinc/35/92/47/179359247.db2.gz GXDFPIOHEXNJNR-OWCLPIDISA-N 1 3 267.461 2.323 10 0 CEAEHO CC(C)N1CCN([C@]2(C[NH3+])CCC[C@@H](C)CC2)CC1 ZINC000086890704 179366337 /nfs/dbraw/zinc/36/63/37/179366337.db2.gz XNUVWRVDFYMQAB-HZPDHXFCSA-N 1 3 267.461 2.310 10 0 CEAEHO CCCN[C@H]1COC[C@H]1C[N@H+](CCOC)C(CC)CC ZINC000090566573 180006279 /nfs/dbraw/zinc/00/62/79/180006279.db2.gz OHLXFIMDKJQNKN-ZBFHGGJFSA-N 1 3 286.460 2.138 10 0 CEAEHO CCCN[C@H]1COC[C@H]1C[N@@H+](CCOC)C(CC)CC ZINC000090566573 180006280 /nfs/dbraw/zinc/00/62/80/180006280.db2.gz OHLXFIMDKJQNKN-ZBFHGGJFSA-N 1 3 286.460 2.138 10 0 CEAEHO CCC[NH2+][C@H]1COC[C@@H]1CN1CCCc2ccccc2C1 ZINC000090566871 180006398 /nfs/dbraw/zinc/00/63/98/180006398.db2.gz JIPPIQXTLXRTNW-ROUUACIJSA-N 1 3 288.435 2.449 10 0 CEAEHO CCCN[C@H]1COC[C@@H]1C[N@@H+]1CCCc2ccccc2C1 ZINC000090566871 180006400 /nfs/dbraw/zinc/00/64/00/180006400.db2.gz JIPPIQXTLXRTNW-ROUUACIJSA-N 1 3 288.435 2.449 10 0 CEAEHO CCCN[C@H]1COC[C@@H]1C[N@H+]1CCCc2ccccc2C1 ZINC000090566871 180006401 /nfs/dbraw/zinc/00/64/01/180006401.db2.gz JIPPIQXTLXRTNW-ROUUACIJSA-N 1 3 288.435 2.449 10 0 CEAEHO C([C@H]1CCCCO1)[N@@H+]1CCC[C@@H]1[C@@H]1CCCNC1 ZINC000090693654 180026282 /nfs/dbraw/zinc/02/62/82/180026282.db2.gz VNQPXUFMYZIESF-RBSFLKMASA-N 1 3 252.402 2.020 10 0 CEAEHO C([C@H]1CCCCO1)[N@H+]1CCC[C@@H]1[C@@H]1CCCNC1 ZINC000090693654 180026285 /nfs/dbraw/zinc/02/62/85/180026285.db2.gz VNQPXUFMYZIESF-RBSFLKMASA-N 1 3 252.402 2.020 10 0 CEAEHO C([C@H]1CCCCO1)N1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693654 180026287 /nfs/dbraw/zinc/02/62/87/180026287.db2.gz VNQPXUFMYZIESF-RBSFLKMASA-N 1 3 252.402 2.020 10 0 CEAEHO CCC[C@@H](CC[NH3+])CCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000090908691 180062159 /nfs/dbraw/zinc/06/21/59/180062159.db2.gz LXSHMIPONXBFFD-KFWWJZLASA-N 1 3 254.418 2.395 10 0 CEAEHO CC[NH+]1CCC(NCc2c[nH]c3ncccc23)CC1 ZINC000091017508 180086949 /nfs/dbraw/zinc/08/69/49/180086949.db2.gz PLKSSJKVWUUEGB-UHFFFAOYSA-N 1 3 258.369 2.137 10 0 CEAEHO CCCc1nc(N2CCC[C@@H]([NH+](C)C)C2)sc1CN ZINC000091428554 180152960 /nfs/dbraw/zinc/15/29/60/180152960.db2.gz RVWGQDAKNACXLZ-LLVKDONJSA-N 1 3 282.457 2.085 10 0 CEAEHO CCC[NH2+]C[C@](C)(CC)CN(C)CC1CC(O)C1 ZINC000091490739 180169846 /nfs/dbraw/zinc/16/98/46/180169846.db2.gz ZFFOQCHWUBQDJM-NRXISQOPSA-N 1 3 256.434 2.105 10 0 CEAEHO Cc1ccc([C@H]([NH3+])CCN(C)CC2CC(O)C2)cc1 ZINC000091499028 180173967 /nfs/dbraw/zinc/17/39/67/180173967.db2.gz ZPOQSUAERJLEGO-AVVWSFFYSA-N 1 3 262.397 2.088 10 0 CEAEHO Cc1ccc([C@H](CN)N2CCC[C@H]([NH+](C)C)C2)s1 ZINC000091393575 180145818 /nfs/dbraw/zinc/14/58/18/180145818.db2.gz SBQRLBVTBKYMFW-STQMWFEESA-N 1 3 267.442 2.082 10 0 CEAEHO CC(C)([C@@H]([NH3+])Cc1cnccc1N)N1CCCCCC1 ZINC000091568002 180194569 /nfs/dbraw/zinc/19/45/69/180194569.db2.gz QOICDHSIIDSHQL-HNNXBMFYSA-N 1 3 276.428 2.188 10 0 CEAEHO Cc1ccc(C)c(C[C@H](N)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091720587 180236288 /nfs/dbraw/zinc/23/62/88/180236288.db2.gz JILSWROLSNWTIM-IXDOHACOSA-N 1 3 274.408 2.036 10 0 CEAEHO Cc1ccc(C)c(C[C@H](N)[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000091720587 180236289 /nfs/dbraw/zinc/23/62/89/180236289.db2.gz JILSWROLSNWTIM-IXDOHACOSA-N 1 3 274.408 2.036 10 0 CEAEHO CCc1cc(CN(CC)C2CCC([NH3+])CC2)n(C)n1 ZINC000091850791 180272440 /nfs/dbraw/zinc/27/24/40/180272440.db2.gz JGYWDRHQIJXKCL-UHFFFAOYSA-N 1 3 264.417 2.074 10 0 CEAEHO CCN(CC(=O)N1[C@H](C)CCC[C@@H]1C)C1CCC([NH3+])CC1 ZINC000091850827 180272555 /nfs/dbraw/zinc/27/25/55/180272555.db2.gz AYUJUUOHWRQQNR-PJPHBNEVSA-N 1 3 295.471 2.368 10 0 CEAEHO CCN(Cc1ccc(C(=O)OC)o1)C1CCC([NH3+])CC1 ZINC000091850930 180271715 /nfs/dbraw/zinc/27/17/15/180271715.db2.gz RAXFFPLDQFTUGL-UHFFFAOYSA-N 1 3 280.368 2.158 10 0 CEAEHO CC[NH2+]C1CCC(N(C)Cc2cccc(OC)n2)CC1 ZINC000091870268 180277168 /nfs/dbraw/zinc/27/71/68/180277168.db2.gz SZRGKLNNNOTKEI-UHFFFAOYSA-N 1 3 277.412 2.443 10 0 CEAEHO CCNCc1occc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003571 180304300 /nfs/dbraw/zinc/30/43/00/180304300.db2.gz OWPPMGAZHZEWSE-CABCVRRESA-N 1 3 277.412 2.058 10 0 CEAEHO CCNCc1occc1CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003571 180304301 /nfs/dbraw/zinc/30/43/01/180304301.db2.gz OWPPMGAZHZEWSE-CABCVRRESA-N 1 3 277.412 2.058 10 0 CEAEHO C[NH+](C)CCCNC[C@@H]1Cc2ccccc2S1 ZINC000092242246 180351447 /nfs/dbraw/zinc/35/14/47/180351447.db2.gz DNFDUIFBQCWVNV-ZDUSSCGKSA-N 1 3 250.411 2.245 10 0 CEAEHO CC[NH2+][C@@H](C)[C@H](C)c1nc(CCN(CC)CC)no1 ZINC000109496294 186256738 /nfs/dbraw/zinc/25/67/38/186256738.db2.gz VEMBHGHCXWWDBP-RYUDHWBXSA-N 1 3 268.405 2.055 10 0 CEAEHO CC[NH2+][C@H]1CCC[C@@H]1c1nc(CCN(CC)CC)no1 ZINC000109496089 186256944 /nfs/dbraw/zinc/25/69/44/186256944.db2.gz CVYBPTWUANEQKE-STQMWFEESA-N 1 3 280.416 2.200 10 0 CEAEHO CC[C@H]1CN([C@@H](C[NH3+])c2ccc(C)c(F)c2)CCN1C ZINC000110977983 186338642 /nfs/dbraw/zinc/33/86/42/186338642.db2.gz HLFXULZMTMKNTM-HOCLYGCPSA-N 1 3 279.403 2.160 10 0 CEAEHO Cc1ccc([C@@H](C[NH3+])N2CCN(CC(C)C)CC2)cc1F ZINC000110977850 186338720 /nfs/dbraw/zinc/33/87/20/186338720.db2.gz DTFWKCSOHZUSNP-QGZVFWFLSA-N 1 3 293.430 2.408 10 0 CEAEHO COc1ccc([C@@H](C[NH3+])N2CCN(C)C(C)(C)C2)cc1C ZINC000110711642 186315282 /nfs/dbraw/zinc/31/52/82/186315282.db2.gz AVQFIQNSARUIET-OAHLLOKOSA-N 1 3 291.439 2.029 10 0 CEAEHO CCC[NH2+][C@@H](CC)[C@H](C)N1CCN(C)C(C)(C)C1 ZINC000110717316 186315376 /nfs/dbraw/zinc/31/53/76/186315376.db2.gz LOPSNTGOPZMZNJ-KBPBESRZSA-N 1 3 255.450 2.179 10 0 CEAEHO CC[C@H]1CN(CC(C)(C)C[NH2+]C(C)C)CCN1C ZINC000110746627 186319229 /nfs/dbraw/zinc/31/92/29/186319229.db2.gz NHIPKCVYWSBELY-AWEZNQCLSA-N 1 3 255.450 2.037 10 0 CEAEHO CCC(C)(C)[NH2+]C[C@@H](C)N1CCN(C)C(C)(C)C1 ZINC000110757911 186319661 /nfs/dbraw/zinc/31/96/61/186319661.db2.gz MHKMCSAHSQSDBY-CYBMUJFWSA-N 1 3 255.450 2.179 10 0 CEAEHO CC(C)C[NH2+]CC[C@H](C)N1CCN(C)C(C)(C)C1 ZINC000110755314 186320032 /nfs/dbraw/zinc/32/00/32/186320032.db2.gz MPDWEBPQKNGCJV-AWEZNQCLSA-N 1 3 255.450 2.037 10 0 CEAEHO CC(C)C[NH2+]CC[C@@H](C)N1CCN(C)C(C)(C)C1 ZINC000110755313 186320071 /nfs/dbraw/zinc/32/00/71/186320071.db2.gz MPDWEBPQKNGCJV-CQSZACIVSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[NH2+][C@H]1CCCC[C@@H]1CN1CCN(C)C(C)(C)C1 ZINC000110747003 186321084 /nfs/dbraw/zinc/32/10/84/186321084.db2.gz JBEMBINIQDSQCH-CABCVRRESA-N 1 3 267.461 2.181 10 0 CEAEHO CN(Cc1cc(C[NH3+])ccc1F)CC1CCOCC1 ZINC000111157339 186362984 /nfs/dbraw/zinc/36/29/84/186362984.db2.gz BVFQMVWNFRVGPO-UHFFFAOYSA-N 1 3 266.360 2.143 10 0 CEAEHO CN(CCC[NH+](C)C)[C@@H](CN)c1cccc(Cl)c1 ZINC000111131551 186356536 /nfs/dbraw/zinc/35/65/36/186356536.db2.gz WFMWQXNWJGKVJB-AWEZNQCLSA-N 1 3 269.820 2.223 10 0 CEAEHO CC[C@@H]([NH3+])[C@@H](c1cccs1)N(C)CCN(C)C ZINC000111129480 186356624 /nfs/dbraw/zinc/35/66/24/186356624.db2.gz MVRHGQIVDRWRCQ-YPMHNXCESA-N 1 3 255.431 2.020 10 0 CEAEHO CN(C)CCN(C)C[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000111134661 186357052 /nfs/dbraw/zinc/35/70/52/186357052.db2.gz FPKCGOVFRWIIEB-KLZNEWFBSA-N 1 3 279.472 2.024 10 0 CEAEHO CCNCc1cc(F)ccc1N(C)CCC[NH+](C)C ZINC000111140784 186357719 /nfs/dbraw/zinc/35/77/19/186357719.db2.gz FAHYGHWDDFTJGH-UHFFFAOYSA-N 1 3 267.392 2.323 10 0 CEAEHO C[NH2+][C@H](c1ccccc1)[C@H](C)CN(C)CCN(C)C ZINC000111147269 186359087 /nfs/dbraw/zinc/35/90/87/186359087.db2.gz UIIBEQWVGRNZCQ-ZBFHGGJFSA-N 1 3 263.429 2.077 10 0 CEAEHO CC(C)[NH2+]C[C@@H]1CCCN(C[C@@H]2CCCOC2)C1 ZINC000111322143 186396895 /nfs/dbraw/zinc/39/68/95/186396895.db2.gz CVTKFUTYNSQKOF-GJZGRUSLSA-N 1 3 254.418 2.123 10 0 CEAEHO CNC[C@@]1(C[N@H+](C)C2CCCCC2)CCCOC1 ZINC000111324312 186397786 /nfs/dbraw/zinc/39/77/86/186397786.db2.gz ABEWWWVGWIPUHI-OAHLLOKOSA-N 1 3 254.418 2.267 10 0 CEAEHO CNC[C@@]1(C[N@@H+](C)C2CCCCC2)CCCOC1 ZINC000111324312 186397789 /nfs/dbraw/zinc/39/77/89/186397789.db2.gz ABEWWWVGWIPUHI-OAHLLOKOSA-N 1 3 254.418 2.267 10 0 CEAEHO C[NH2+]C[C@@]1(CN(C)C2CCCCC2)CCCOC1 ZINC000111324312 186397791 /nfs/dbraw/zinc/39/77/91/186397791.db2.gz ABEWWWVGWIPUHI-OAHLLOKOSA-N 1 3 254.418 2.267 10 0 CEAEHO CC[C@H]1CN([C@@H](C[NH3+])c2ccccc2C)CCN1C ZINC000111237355 186373142 /nfs/dbraw/zinc/37/31/42/186373142.db2.gz ZNVDKBYNSNNWRB-HOCLYGCPSA-N 1 3 261.413 2.021 10 0 CEAEHO CC(C)[C@H](C)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562382 351416190 /nfs/dbraw/zinc/41/61/90/351416190.db2.gz MOJMMNJIPIFHKS-HBNTYKKESA-N 1 3 252.324 2.490 10 0 CEAEHO C[C@H](CN[C@H](C)[C@H]1CCC[NH2+]C1)Oc1ccccc1 ZINC000569957914 299229740 /nfs/dbraw/zinc/22/97/40/299229740.db2.gz WOYRABXRSHQOGJ-KFWWJZLASA-N 1 3 262.397 2.432 10 0 CEAEHO C[C@H](C[NH2+][C@H](C)[C@H]1CCCNC1)Oc1ccccc1 ZINC000569957914 299229744 /nfs/dbraw/zinc/22/97/44/299229744.db2.gz WOYRABXRSHQOGJ-KFWWJZLASA-N 1 3 262.397 2.432 10 0 CEAEHO c1ccc2c(c1)CCN2CCC[NH2+][C@@H]1CCCNCC1 ZINC000133599484 366239426 /nfs/dbraw/zinc/23/94/26/366239426.db2.gz RXLPKYNFYTUPDR-MRXNPFEDSA-N 1 3 273.424 2.171 10 0 CEAEHO c1ccc2c(c1)CCN2CCCN[C@@H]1CCC[NH2+]CC1 ZINC000133599484 366239434 /nfs/dbraw/zinc/23/94/34/366239434.db2.gz RXLPKYNFYTUPDR-MRXNPFEDSA-N 1 3 273.424 2.171 10 0 CEAEHO C[C@@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)CN1CCCC1 ZINC000085638261 295973339 /nfs/dbraw/zinc/97/33/39/295973339.db2.gz NEELHVFIBRPXRD-XQLPTFJDSA-N 1 3 266.429 2.121 10 0 CEAEHO c1cnc2c(c1)cccc2CC[NH2+]C1CCNCC1 ZINC000159261929 366894184 /nfs/dbraw/zinc/89/41/84/366894184.db2.gz OFWQPTKLMIYECC-UHFFFAOYSA-N 1 3 255.365 2.119 10 0 CEAEHO c1cnc2c(c1)cccc2CCNC1CC[NH2+]CC1 ZINC000159261929 366894190 /nfs/dbraw/zinc/89/41/90/366894190.db2.gz OFWQPTKLMIYECC-UHFFFAOYSA-N 1 3 255.365 2.119 10 0 CEAEHO C[C@@H](O)C[N@@H+]1CCN(c2ccnc3ccccc32)C[C@@H]1C ZINC000174732449 368061942 /nfs/dbraw/zinc/06/19/42/368061942.db2.gz SJHZBMAITTVDSP-UONOGXRCSA-N 1 3 285.391 2.126 10 0 CEAEHO C[C@@H](O)C[N@H+]1CCN(c2ccnc3ccccc32)C[C@@H]1C ZINC000174732449 368061947 /nfs/dbraw/zinc/06/19/47/368061947.db2.gz SJHZBMAITTVDSP-UONOGXRCSA-N 1 3 285.391 2.126 10 0 CEAEHO C[C@H](N[C@@H]1CCC[C@H]1C[NH3+])c1ccc2c(c1)OCCO2 ZINC000251509338 299381783 /nfs/dbraw/zinc/38/17/83/299381783.db2.gz HTWGSHWRVNZUMN-FPMFFAJLSA-N 1 3 276.380 2.236 10 0 CEAEHO CCO[C@H]1C[C@H]([NH2+]CCCN(CC)CC)C12CCOCC2 ZINC000186193692 368934577 /nfs/dbraw/zinc/93/45/77/368934577.db2.gz MGJYMRWKBPCMKH-HOTGVXAUSA-N 1 3 298.471 2.282 10 0 CEAEHO CCO[C@H]1C[C@H](NCCC[NH+](CC)CC)C12CCOCC2 ZINC000186193692 368934581 /nfs/dbraw/zinc/93/45/81/368934581.db2.gz MGJYMRWKBPCMKH-HOTGVXAUSA-N 1 3 298.471 2.282 10 0 CEAEHO CN(CCC(=O)Nc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000231668370 370485972 /nfs/dbraw/zinc/48/59/72/370485972.db2.gz SUXJFKBLJKIOHZ-OAHLLOKOSA-N 1 3 275.396 2.089 10 0 CEAEHO CN(CCc1ccc2c(c1)CCO2)[C@@H]1CCC[NH2+]CC1 ZINC000231668195 370486295 /nfs/dbraw/zinc/48/62/95/370486295.db2.gz DQTASGHLQNZSIU-MRXNPFEDSA-N 1 3 274.408 2.238 10 0 CEAEHO C[N@H+](CCc1ccc2c(c1)CCO2)[C@@H]1CCCNCC1 ZINC000231668195 370486298 /nfs/dbraw/zinc/48/62/98/370486298.db2.gz DQTASGHLQNZSIU-MRXNPFEDSA-N 1 3 274.408 2.238 10 0 CEAEHO C[N@@H+](CCc1ccc2c(c1)CCO2)[C@@H]1CCCNCC1 ZINC000231668195 370486299 /nfs/dbraw/zinc/48/62/99/370486299.db2.gz DQTASGHLQNZSIU-MRXNPFEDSA-N 1 3 274.408 2.238 10 0 CEAEHO COc1ccc([C@@H](C)CN2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000262044576 371811099 /nfs/dbraw/zinc/81/10/99/371811099.db2.gz PNWHHDZNPQQOIH-YOEHRIQHSA-N 1 3 274.408 2.484 10 0 CEAEHO CCN1CCC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000132037467 285268813 /nfs/dbraw/zinc/26/88/13/285268813.db2.gz JYYMZFJPKPVCIS-VBNZEHGJSA-N 1 3 259.397 2.205 10 0 CEAEHO CC(C)(C)C1CC[NH+]([C@@H]2CCC[C@](N)(CO)C2)CC1 ZINC000093780926 184720402 /nfs/dbraw/zinc/72/04/02/184720402.db2.gz MKVPYBFWCKBJSZ-GDBMZVCRSA-N 1 3 268.445 2.377 10 0 CEAEHO CC(C)(C)C1CCN([C@@H]2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000093780926 184720403 /nfs/dbraw/zinc/72/04/03/184720403.db2.gz MKVPYBFWCKBJSZ-GDBMZVCRSA-N 1 3 268.445 2.377 10 0 CEAEHO CCC[NH2+][C@@H]1CC[C@@H](N2CCN3CCCC[C@@H]3C2)C1 ZINC000094439380 184799706 /nfs/dbraw/zinc/79/97/06/184799706.db2.gz YZZBFUOIZMKGNY-BZUAXINKSA-N 1 3 265.445 2.077 10 0 CEAEHO [NH3+]CCCOC1CCN([C@@H]2CCOc3ccccc32)CC1 ZINC000094070557 184753594 /nfs/dbraw/zinc/75/35/94/184753594.db2.gz NRRYBBGITGLKOS-MRXNPFEDSA-N 1 3 290.407 2.340 10 0 CEAEHO C[C@H](N)c1cc(F)ccc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000091393431 135068420 /nfs/dbraw/zinc/06/84/20/135068420.db2.gz BDSZXBYGUQENAK-WCQYABFASA-N 1 3 265.376 2.376 10 0 CEAEHO [NH3+][C@H]1C=C[C@H](CN2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000092208962 135076246 /nfs/dbraw/zinc/07/62/46/135076246.db2.gz ICNRQDPZXQLCJF-ZFWWWQNUSA-N 1 3 291.826 2.365 10 0 CEAEHO c1ccc2c(c1)nccc2NCCC1CC[NH2+]CC1 ZINC000650311776 400868324 /nfs/dbraw/zinc/86/83/24/400868324.db2.gz ADSOSBGUPWPXBX-UHFFFAOYSA-N 1 3 255.365 2.458 10 0 CEAEHO CC1(c2ccccc2)CCC(NC[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263263054 154044524 /nfs/dbraw/zinc/04/45/24/154044524.db2.gz REXYOWYEQXLPJA-VNCIIQTRSA-N 1 3 288.435 2.057 10 0 CEAEHO CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CNC[C@@H]2O)CC1 ZINC000263263054 154044528 /nfs/dbraw/zinc/04/45/28/154044528.db2.gz REXYOWYEQXLPJA-VNCIIQTRSA-N 1 3 288.435 2.057 10 0 CEAEHO CCC(CC)[C@@H](CNC(=O)C1(N)CCCC1)[NH+]1CCCC1 ZINC000178683894 165252627 /nfs/dbraw/zinc/25/26/27/165252627.db2.gz OQVJFWFAABGGRW-OAHLLOKOSA-N 1 3 295.471 2.275 10 0 CEAEHO [NH3+]CC[C@@H](COc1cccc(F)c1)N1CCCC1 ZINC000020401975 171182096 /nfs/dbraw/zinc/18/20/96/171182096.db2.gz CKVPTHOJKHSSET-ZDUSSCGKSA-N 1 3 252.333 2.018 10 0 CEAEHO CN1[C@@H]2CC[C@H]1CC(CN)([NH+]1CCCCCCC1)C2 ZINC000020524109 171237282 /nfs/dbraw/zinc/23/72/82/171237282.db2.gz MJLCHIXIXMUGAZ-XYPWUTKMSA-N 1 3 265.445 2.207 10 0 CEAEHO c1cn(CCC[NH2+]C2CCNCC2)c2ccccc12 ZINC000038040758 174041071 /nfs/dbraw/zinc/04/10/71/174041071.db2.gz JLAZNLINJRYFJO-UHFFFAOYSA-N 1 3 257.381 2.373 10 0 CEAEHO C[NH2+]C[C@H]1CCCN([C@@H]2CCc3ccccc3C2)C1 ZINC000040593371 174347630 /nfs/dbraw/zinc/34/76/30/174347630.db2.gz DEYUVOUQGMRMBN-RHSMWYFYSA-N 1 3 258.409 2.475 10 0 CEAEHO NC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCOc2ccccc21 ZINC000040749362 174393836 /nfs/dbraw/zinc/39/38/36/174393836.db2.gz KAQCICTZKBNYLD-VYHDIPPYSA-N 1 3 258.365 2.464 10 0 CEAEHO NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCOc2ccccc21 ZINC000040749362 174393837 /nfs/dbraw/zinc/39/38/37/174393837.db2.gz KAQCICTZKBNYLD-VYHDIPPYSA-N 1 3 258.365 2.464 10 0 CEAEHO CC[C@@H]([NH3+])[C@H](c1ccco1)N(C)C1CCN(C)CC1 ZINC000043334455 175010289 /nfs/dbraw/zinc/01/02/89/175010289.db2.gz JZPXRGMXFKWWLM-UKRRQHHQSA-N 1 3 265.401 2.084 10 0 CEAEHO CCC[NH2+][C@H](CC)[C@@H](C)N1CCN(C(C)C)CC1 ZINC000043897191 175119855 /nfs/dbraw/zinc/11/98/55/175119855.db2.gz IJNPSYUXCVISCI-HUUCEWRRSA-N 1 3 255.450 2.179 10 0 CEAEHO CC[NH2+][C@@H]1CCCCC[C@@H]1N1CCN(C(C)C)CC1 ZINC000043897062 175119982 /nfs/dbraw/zinc/11/99/82/175119982.db2.gz SQQQYMDFPPJUKM-CVEARBPZSA-N 1 3 267.461 2.323 10 0 CEAEHO C[NH2+][C@@H]1c2ccccc2CC[C@@H]1N1CCN(C(C)C)CC1 ZINC000043897010 175119999 /nfs/dbraw/zinc/11/99/99/175119999.db2.gz FIHKGXYIQWPHAI-ZWKOTPCHSA-N 1 3 287.451 2.288 10 0 CEAEHO CCC[NH2+][C@H](C)[C@H](C)N1CCN(C(C)(C)C)CC1 ZINC000043965737 175127070 /nfs/dbraw/zinc/12/70/70/175127070.db2.gz RWGKJIYOAAQADZ-KGLIPLIRSA-N 1 3 255.450 2.179 10 0 CEAEHO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CCN(CC2CC2)CC1 ZINC000043967922 175128880 /nfs/dbraw/zinc/12/88/80/175128880.db2.gz CSULSQHHWBWVLF-PVAVHDDUSA-N 1 3 279.472 2.181 10 0 CEAEHO CC[C@@H]1CSC(NC[C@H](C)N2CCCCC2)=[NH+]1 ZINC000045005853 175288089 /nfs/dbraw/zinc/28/80/89/175288089.db2.gz DSIZFWPIHCXGPR-NWDGAFQWSA-N 1 3 255.431 2.332 10 0 CEAEHO CN[C@H]1CCOC[C@@H]1[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073294 175302831 /nfs/dbraw/zinc/30/28/31/175302831.db2.gz MBYNEDQKLHTXTI-ZNMIVQPWSA-N 1 3 252.402 2.018 10 0 CEAEHO CN[C@H]1CCOC[C@@H]1[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073294 175302832 /nfs/dbraw/zinc/30/28/32/175302832.db2.gz MBYNEDQKLHTXTI-ZNMIVQPWSA-N 1 3 252.402 2.018 10 0 CEAEHO CCn1nc(C)c([C@@H](C)[NH2+]CCCN(C)C)c1C ZINC000045167685 175319183 /nfs/dbraw/zinc/31/91/83/175319183.db2.gz XLDRCJVDEHMOSO-LLVKDONJSA-N 1 3 252.406 2.122 10 0 CEAEHO [NH3+]CCC1CCN(C[C@@H]2OCCc3ccccc32)CC1 ZINC000071091561 176031876 /nfs/dbraw/zinc/03/18/76/176031876.db2.gz AAYAHVCXUIUNBZ-KRWDZBQOSA-N 1 3 274.408 2.361 10 0 CEAEHO CCc1ccc([C@@H](CN)N(C)C[C@@H]2CC[N@H+](C)C2)s1 ZINC000071188364 176062707 /nfs/dbraw/zinc/06/27/07/176062707.db2.gz UCPMWAWXWQIMKD-TZMCWYRMSA-N 1 3 281.469 2.194 10 0 CEAEHO CCc1ccc([C@@H](CN)N(C)C[C@@H]2CC[N@@H+](C)C2)s1 ZINC000071188364 176062708 /nfs/dbraw/zinc/06/27/08/176062708.db2.gz UCPMWAWXWQIMKD-TZMCWYRMSA-N 1 3 281.469 2.194 10 0 CEAEHO Cc1ccc([C@H](N)CN(C)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC000071188696 176063982 /nfs/dbraw/zinc/06/39/82/176063982.db2.gz UKPQMUWWKCLIGK-NVXWUHKLSA-N 1 3 275.440 2.187 10 0 CEAEHO Cc1ccc([C@H](N)CN(C)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC000071188696 176063983 /nfs/dbraw/zinc/06/39/83/176063983.db2.gz UKPQMUWWKCLIGK-NVXWUHKLSA-N 1 3 275.440 2.187 10 0 CEAEHO CCCC[C@H](CC)CN(CCOC)CCC(N)=[NH2+] ZINC000071229036 176091373 /nfs/dbraw/zinc/09/13/73/176091373.db2.gz KUHQGWZRETZIFH-ZDUSSCGKSA-N 1 3 257.422 2.477 10 0 CEAEHO CCN(Cc1ccc(F)cc1C[NH3+])[C@H](C)COC ZINC000071263532 176096713 /nfs/dbraw/zinc/09/67/13/176096713.db2.gz YEUNFPXOTJVILG-LLVKDONJSA-N 1 3 254.349 2.141 10 0 CEAEHO C[NH2+]CCCCCCN1CCN(C(C)(C)C)CC1 ZINC000071289707 176110204 /nfs/dbraw/zinc/11/02/04/176110204.db2.gz QKBPWEZFMKGCGP-UHFFFAOYSA-N 1 3 255.450 2.182 10 0 CEAEHO CC[C@H](C)N1CCN(CCCCCC[NH2+]C)CC1 ZINC000071289793 176110464 /nfs/dbraw/zinc/11/04/64/176110464.db2.gz JBERNBRDPODAHH-HNNXBMFYSA-N 1 3 255.450 2.182 10 0 CEAEHO CC[C@H]1CNC2(CCCC2)C[N@@H+]1CCn1ccnc1C ZINC000071358319 176138027 /nfs/dbraw/zinc/13/80/27/176138027.db2.gz BHVZGVJCTDUZJE-HNNXBMFYSA-N 1 3 276.428 2.188 10 0 CEAEHO CC[C@H]1CNC2(CCCC2)C[N@H+]1CCn1ccnc1C ZINC000071358319 176138028 /nfs/dbraw/zinc/13/80/28/176138028.db2.gz BHVZGVJCTDUZJE-HNNXBMFYSA-N 1 3 276.428 2.188 10 0 CEAEHO C[C@@H](CN(C)Cc1ccccc1)N[C@@H]1CCC[NH2+]CC1 ZINC000261557573 278242278 /nfs/dbraw/zinc/24/22/78/278242278.db2.gz XMCRTDJXMPLETH-DOTOQJQBSA-N 1 3 275.440 2.239 10 0 CEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)C1 ZINC000246505820 280297832 /nfs/dbraw/zinc/29/78/32/280297832.db2.gz SIXCDIGAVJWVGN-SUJAAXHWSA-N 1 3 295.471 2.093 10 0 CEAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)C1 ZINC000246505820 280297834 /nfs/dbraw/zinc/29/78/34/280297834.db2.gz SIXCDIGAVJWVGN-SUJAAXHWSA-N 1 3 295.471 2.093 10 0 CEAEHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCCC[C@@H]1CO ZINC000261569613 298877970 /nfs/dbraw/zinc/87/79/70/298877970.db2.gz NBGFGIVRPXWZMQ-WCVJEAGWSA-N 1 3 268.445 2.438 10 0 CEAEHO CC(C)[NH2+]CCCCCN1CCO[C@H]2CCC[C@@H]21 ZINC000052540313 519720711 /nfs/dbraw/zinc/72/07/11/519720711.db2.gz RUPKBFZZPBALFU-GJZGRUSLSA-N 1 3 254.418 2.408 10 0 CEAEHO CC(C)NCc1occc1CN1CCC[C@@H]1C[NH+](C)C ZINC000061654414 519730141 /nfs/dbraw/zinc/73/01/41/519730141.db2.gz HSYVPZUFHHYPQX-OAHLLOKOSA-N 1 3 279.428 2.304 10 0 CEAEHO CCC[NH2+]C[C@@H]1CC[C@H](CN(CC)C[C@@H]2CCCO2)O1 ZINC000052511045 519927225 /nfs/dbraw/zinc/92/72/25/519927225.db2.gz UXHSDDSQMQUECK-HRCADAONSA-N 1 3 284.444 2.035 10 0 CEAEHO CCC[NH2+]C[C@H](C(C)C)N1CCN([C@@H](C)CC)CC1 ZINC000055074828 519929202 /nfs/dbraw/zinc/92/92/02/519929202.db2.gz RKVMGVQJAKGBPO-JKSUJKDBSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[NH2+]C[C@@H]1CC[C@@H](CN(C)Cc2cccs2)O1 ZINC000052456351 519950354 /nfs/dbraw/zinc/95/03/54/519950354.db2.gz BVKVGVLMPYIJGR-STQMWFEESA-N 1 3 268.426 2.337 10 0 CEAEHO CC[NH2+]Cc1coc(CN2CCN(CC(C)C)CC2)c1 ZINC000055082900 520016856 /nfs/dbraw/zinc/01/68/56/520016856.db2.gz PEHGLCPMAGPFOB-UHFFFAOYSA-N 1 3 279.428 2.163 10 0 CEAEHO CC[NH2+]Cc1sc(N(C)[C@@H]2CCCN(C)C2)nc1CC ZINC000054998301 520032966 /nfs/dbraw/zinc/03/29/66/520032966.db2.gz WBXPTFYPZFDTTA-GFCCVEGCSA-N 1 3 296.484 2.345 10 0 CEAEHO CNCC1(C[N@@H+]2CCC[C@@H]2CCCO)CCCCC1 ZINC000052763401 521969112 /nfs/dbraw/zinc/96/91/12/521969112.db2.gz IYNCUDKUNFENBA-OAHLLOKOSA-N 1 3 268.445 2.393 10 0 CEAEHO CNCC1(C[N@H+]2CCC[C@@H]2CCCO)CCCCC1 ZINC000052763401 521969120 /nfs/dbraw/zinc/96/91/20/521969120.db2.gz IYNCUDKUNFENBA-OAHLLOKOSA-N 1 3 268.445 2.393 10 0 CEAEHO CC(C)N1CCN(CC[NH2+]C2CCCCCC2)CC1 ZINC000053341925 519682484 /nfs/dbraw/zinc/68/24/84/519682484.db2.gz UGLLWGBBCBGDHE-UHFFFAOYSA-N 1 3 267.461 2.325 10 0 CEAEHO CC(C)C[NH2+]Cc1cnc(N(C)[C@@H]2CCCN(C)C2)s1 ZINC000054905586 519748413 /nfs/dbraw/zinc/74/84/13/519748413.db2.gz BWGAGBYEGYBZTN-CYBMUJFWSA-N 1 3 296.484 2.419 10 0 CEAEHO CC(C)CNCc1occc1COCCC[NH+](C)C ZINC000052672698 519749415 /nfs/dbraw/zinc/74/94/15/519749415.db2.gz CQVRVDQMODRYEQ-UHFFFAOYSA-N 1 3 268.401 2.494 10 0 CEAEHO CC(C)[C@H](CN(C)C)[NH2+]CC[C@@H]1CCCCN1C ZINC000052205965 519814504 /nfs/dbraw/zinc/81/45/04/519814504.db2.gz RIQSVBVMTPUGLX-GJZGRUSLSA-N 1 3 255.450 2.037 10 0 CEAEHO CCCN1CCN([C@H](C)CC[NH2+]CC(C)C)CC1 ZINC000052422130 519859485 /nfs/dbraw/zinc/85/94/85/519859485.db2.gz LKFYWNBWEDTDEM-OAHLLOKOSA-N 1 3 255.450 2.038 10 0 CEAEHO CC[NH2+]C(C)(C)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000061291149 519906030 /nfs/dbraw/zinc/90/60/30/519906030.db2.gz NNNZNJRMUGSOST-UHFFFAOYSA-N 1 3 293.411 2.083 10 0 CEAEHO CCC[NH2+]CC1(CN2CCC[C@@H]2CCCO)CCOCC1 ZINC000052763422 519910926 /nfs/dbraw/zinc/91/09/26/519910926.db2.gz JCGTYNNPWPYLOG-MRXNPFEDSA-N 1 3 298.471 2.020 10 0 CEAEHO CC[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2cccc(OC)c2)O1 ZINC000052372966 519976897 /nfs/dbraw/zinc/97/68/97/519976897.db2.gz IAXSECKVRLTCER-SJORKVTESA-N 1 3 292.423 2.284 10 0 CEAEHO CC[NH2+]Cc1cccc(CN(CCOC)[C@@H](C)COC)c1 ZINC000052572308 520003374 /nfs/dbraw/zinc/00/33/74/520003374.db2.gz IDSAREJBJLDUCG-HNNXBMFYSA-N 1 3 294.439 2.279 10 0 CEAEHO CCC[NH2+][C@H](CC)CN1CCN(CC(C)C)CC1 ZINC000055078685 520066832 /nfs/dbraw/zinc/06/68/32/520066832.db2.gz KKIRGXMFUGRFOH-OAHLLOKOSA-N 1 3 255.450 2.038 10 0 CEAEHO CCC[NH2+][C@H]1CCCC[C@@H]1N1CCC[C@@H]1CN(C)C ZINC000061643761 520092050 /nfs/dbraw/zinc/09/20/50/520092050.db2.gz CUUCVROYUXTJIQ-PMPSAXMXSA-N 1 3 267.461 2.323 10 0 CEAEHO CCN[C@@H]1COc2cc(OCC[NH+](CC)CC)ccc21 ZINC000062804937 520124255 /nfs/dbraw/zinc/12/42/55/520124255.db2.gz PVHITPUQCFVQJE-OAHLLOKOSA-N 1 3 278.396 2.450 10 0 CEAEHO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CCN(CC(C)C)CC1 ZINC000055079315 520217783 /nfs/dbraw/zinc/21/77/83/520217783.db2.gz RJGARSXDVFQNEP-IKGGRYGDSA-N 1 3 281.488 2.427 10 0 CEAEHO CCC[C@@H](C)[NH2+]C[C@H](C)N1CCC[C@@H]1CN(C)C ZINC000061655159 520666133 /nfs/dbraw/zinc/66/61/33/520666133.db2.gz ZUEPIQNCQRGCLG-QLFBSQMISA-N 1 3 255.450 2.179 10 0 CEAEHO CC[NH+](CC)[C@@H]1CCN([C@@H]2CCc3ccccc3[C@@H]2N)C1 ZINC000062978858 520848045 /nfs/dbraw/zinc/84/80/45/520848045.db2.gz SEZFWOUGDFVHNS-NXHRZFHOSA-N 1 3 287.451 2.417 10 0 CEAEHO CC[NH+](CC)[C@@H]1CCN(c2nc(C3CC3)c(CN)s2)C1 ZINC000069182599 520849233 /nfs/dbraw/zinc/84/92/33/520849233.db2.gz NADFXZBRIGXEBF-GFCCVEGCSA-N 1 3 294.468 2.400 10 0 CEAEHO CCCC[C@@](CC)(CN)[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000069381076 521121739 /nfs/dbraw/zinc/12/17/39/521121739.db2.gz PHUNAONJWLGZEF-HOTGVXAUSA-N 1 3 267.461 2.454 10 0 CEAEHO CCCC[C@@](CC)(CN)[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000069381076 521121745 /nfs/dbraw/zinc/12/17/45/521121745.db2.gz PHUNAONJWLGZEF-HOTGVXAUSA-N 1 3 267.461 2.454 10 0 CEAEHO CCN1CCC([N@H+](C)[C@@H](CN)CCc2ccccc2)CC1 ZINC000061625051 521567374 /nfs/dbraw/zinc/56/73/74/521567374.db2.gz JODDSCMEMACKAW-GOSISDBHSA-N 1 3 289.467 2.363 10 0 CEAEHO CCN1CCC([N@@H+](C)[C@@H](CN)CCc2ccccc2)CC1 ZINC000061625051 521567377 /nfs/dbraw/zinc/56/73/77/521567377.db2.gz JODDSCMEMACKAW-GOSISDBHSA-N 1 3 289.467 2.363 10 0 CEAEHO CCOC1CCN(C[C@H]2CC[C@@H](C[NH2+]CC(C)C)O2)CC1 ZINC000052484102 521655998 /nfs/dbraw/zinc/65/59/98/521655998.db2.gz SKUSPLCDQPEEAY-DLBZAZTESA-N 1 3 298.471 2.281 10 0 CEAEHO CCCN(CCN(C)C)c1cccc(Cl)c1C(N)=[NH2+] ZINC000052906033 521658591 /nfs/dbraw/zinc/65/85/91/521658591.db2.gz JRGSFGCRGCFABL-UHFFFAOYSA-N 1 3 282.819 2.402 10 0 CEAEHO CCN1CCN(Cc2cccc(C[NH2+]C(C)C)c2)CC1 ZINC000052422289 521689136 /nfs/dbraw/zinc/68/91/36/521689136.db2.gz IJHLHBMQYRYRPR-UHFFFAOYSA-N 1 3 275.440 2.322 10 0 CEAEHO COCC[C@@H](N)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000052810636 521831389 /nfs/dbraw/zinc/83/13/89/521831389.db2.gz SJUWBPJBKBLTOB-QGZVFWFLSA-N 1 3 276.424 2.305 10 0 CEAEHO C[NH+](C)C[C@H]1CCCN1Cc1ccc(CNC2CC2)o1 ZINC000061654494 521872282 /nfs/dbraw/zinc/87/22/82/521872282.db2.gz ZYNAAXBREIVOFF-CQSZACIVSA-N 1 3 277.412 2.058 10 0 CEAEHO C[NH2+]CCC[C@@H](C)N1CCN(c2ccccc2OC)CC1 ZINC000052422933 521999133 /nfs/dbraw/zinc/99/91/33/521999133.db2.gz FTBCCCYQIPYZRF-OAHLLOKOSA-N 1 3 291.439 2.205 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000055064241 522128666 /nfs/dbraw/zinc/12/86/66/522128666.db2.gz SINFHTCOKHQQDG-WBVHZDCISA-N 1 3 275.440 2.493 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](C[NH3+])c2ccsc2)CC1 ZINC000055063648 522128925 /nfs/dbraw/zinc/12/89/25/522128925.db2.gz CLZQVZCDGXNQEP-OCCSQVGLSA-N 1 3 267.442 2.164 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000055063755 522131631 /nfs/dbraw/zinc/13/16/31/522131631.db2.gz DIHCMEBMRBONJG-INMHGKMJSA-N 1 3 275.440 2.491 10 0 CEAEHO CC[C@@H](C[NH2+]CC(C)C)N1CCN(CC(C)C)CC1 ZINC000055083017 522548501 /nfs/dbraw/zinc/54/85/01/522548501.db2.gz CJEFJRWEFKEZTC-INIZCTEOSA-N 1 3 269.477 2.284 10 0 CEAEHO CC[C@@H]1CCC[N@H+](CC2(CNC)CCOCC2)C1 ZINC000052181845 523249964 /nfs/dbraw/zinc/24/99/64/523249964.db2.gz DHSWTLPKJHWXDD-CQSZACIVSA-N 1 3 254.418 2.125 10 0 CEAEHO CC[C@@H]1CCC[N@@H+](CC2(CNC)CCOCC2)C1 ZINC000052181845 523249973 /nfs/dbraw/zinc/24/99/73/523249973.db2.gz DHSWTLPKJHWXDD-CQSZACIVSA-N 1 3 254.418 2.125 10 0 CEAEHO CN(c1nc(C2CC2)c(C[NH3+])s1)C1CCN(C)CC1 ZINC000069146573 523664774 /nfs/dbraw/zinc/66/47/74/523664774.db2.gz YLCDCSBAZOQLRK-UHFFFAOYSA-N 1 3 280.441 2.010 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@](C)(CC)C[NH2+]C)CC1 ZINC000055071834 523955271 /nfs/dbraw/zinc/95/52/71/523955271.db2.gz JQEBBDYRKQWXAV-LSDHHAIUSA-N 1 3 255.450 2.038 10 0 CEAEHO C[NH+](C)C1CCN(Cc2ccoc2CNC2CC2)CC1 ZINC000052477661 524040291 /nfs/dbraw/zinc/04/02/91/524040291.db2.gz LBTZXNFREVYPON-UHFFFAOYSA-N 1 3 277.412 2.058 10 0 CEAEHO C[C@@H]1CCC[C@H]([N@H+](C)Cc2ccnc(C(=N)N)c2)C1 ZINC000068761440 524389610 /nfs/dbraw/zinc/38/96/10/524389610.db2.gz RXXXFFUJXYWPSB-YPMHNXCESA-N 1 3 260.385 2.376 10 0 CEAEHO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccnc(C(=N)N)c2)C1 ZINC000068761440 524389614 /nfs/dbraw/zinc/38/96/14/524389614.db2.gz RXXXFFUJXYWPSB-YPMHNXCESA-N 1 3 260.385 2.376 10 0 CEAEHO C[C@H]([NH3+])c1ccc(NC(=O)N[C@@H](C)CN2CCCC2)cc1 ZINC000049189693 524866159 /nfs/dbraw/zinc/86/61/59/524866159.db2.gz WOSSZXIXGWROND-STQMWFEESA-N 1 3 290.411 2.312 10 0 CEAEHO C[C@H](N)c1cnc(N2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000062037741 524869045 /nfs/dbraw/zinc/86/90/45/524869045.db2.gz RAKYPMHGNFDTJH-LBPRGKRZSA-N 1 3 294.468 2.475 10 0 CEAEHO Cc1ccc([C@@H]([C@@H](C)[NH3+])N(C)CCN2CCCC2)o1 ZINC000063050745 525785818 /nfs/dbraw/zinc/78/58/18/525785818.db2.gz QYLKSNYZDFTMKG-UKRRQHHQSA-N 1 3 265.401 2.004 10 0 CEAEHO Cc1ccc([C@H](N)[C@H](C)[N@H+](C)C2CCN(C)CC2)cc1 ZINC000052684848 525961534 /nfs/dbraw/zinc/96/15/34/525961534.db2.gz FFYVNILILIJHOV-WMLDXEAASA-N 1 3 275.440 2.409 10 0 CEAEHO Cc1ccc([C@H](N)[C@H](C)[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000052684848 525961540 /nfs/dbraw/zinc/96/15/40/525961540.db2.gz FFYVNILILIJHOV-WMLDXEAASA-N 1 3 275.440 2.409 10 0 CEAEHO Cc1oc(COCCN(C)C)cc1C[NH2+]CC(C)C ZINC000052669557 526775392 /nfs/dbraw/zinc/77/53/92/526775392.db2.gz UZIJMGIQXRVXKS-UHFFFAOYSA-N 1 3 268.401 2.412 10 0 CEAEHO Cc1nc(N2CCC[C@@H]2C[NH+](C)C)sc1[C@@H](C)N ZINC000061655473 526966243 /nfs/dbraw/zinc/96/62/43/526966243.db2.gz OOLWNUYCXRKNGX-MWLCHTKSSA-N 1 3 268.430 2.002 10 0 CEAEHO [NH3+]Cc1ccccc1CN(CCO)Cc1ccccc1 ZINC000050514201 527260626 /nfs/dbraw/zinc/26/06/26/527260626.db2.gz ZSBRBDQJTWZMQI-UHFFFAOYSA-N 1 3 270.376 2.140 10 0 CEAEHO Cc1nccn1CC[N@H+]1C[C@@H](C(C)C)NC[C@@H]1C(C)C ZINC000068702799 527427412 /nfs/dbraw/zinc/42/74/12/527427412.db2.gz MLHRQIZVAFTHEB-JKSUJKDBSA-N 1 3 278.444 2.146 10 0 CEAEHO Cc1nccn1CC[N@@H+]1C[C@@H](C(C)C)NC[C@@H]1C(C)C ZINC000068702799 527427414 /nfs/dbraw/zinc/42/74/14/527427414.db2.gz MLHRQIZVAFTHEB-JKSUJKDBSA-N 1 3 278.444 2.146 10 0 CEAEHO COc1ccccc1N1CCN(C2CCC([NH3+])CC2)CC1 ZINC000034400825 361789194 /nfs/dbraw/zinc/78/91/94/361789194.db2.gz ACPZQKHHFKJDSA-UHFFFAOYSA-N 1 3 289.423 2.087 10 0 CEAEHO COc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1C ZINC000261595553 539185556 /nfs/dbraw/zinc/18/55/56/539185556.db2.gz OGWXFPJXXIFMDJ-RRFJBIMHSA-N 1 3 260.381 2.173 10 0 CEAEHO [NH3+]C1(CC(=O)N2CCN(C3CCCC3)CC2)CCCCC1 ZINC000084186011 178819522 /nfs/dbraw/zinc/81/95/22/178819522.db2.gz BBWSCSCZWPIVDM-UHFFFAOYSA-N 1 3 293.455 2.125 10 0 CEAEHO Cc1csc(CCNC[C@@H]2CCCC[C@H]2[NH3+])n1 ZINC000085376868 179044474 /nfs/dbraw/zinc/04/44/74/179044474.db2.gz CYBLPMBIYUNXIH-NWDGAFQWSA-N 1 3 253.415 2.101 10 0 CEAEHO CCC[C@@H]1CN[C@@H](C2CC2)C[N@@H+]1CCn1ccnc1C ZINC000085523437 179088962 /nfs/dbraw/zinc/08/89/62/179088962.db2.gz XWTZZHQBEYXSOP-HZPDHXFCSA-N 1 3 276.428 2.044 10 0 CEAEHO CCC[C@@H]1CN[C@@H](C2CC2)C[N@H+]1CCn1ccnc1C ZINC000085523437 179088963 /nfs/dbraw/zinc/08/89/63/179088963.db2.gz XWTZZHQBEYXSOP-HZPDHXFCSA-N 1 3 276.428 2.044 10 0 CEAEHO Cc1nccn1CCN1C[C@](C)(C2CC2)[NH2+]CC[C@@H]1C ZINC000085623652 179105260 /nfs/dbraw/zinc/10/52/60/179105260.db2.gz QXZNDYIPUPRXBK-XJKSGUPXSA-N 1 3 276.428 2.044 10 0 CEAEHO Cc1nccn1CC[N@H+]1C[C@](C)(C2CC2)NCC[C@@H]1C ZINC000085623652 179105261 /nfs/dbraw/zinc/10/52/61/179105261.db2.gz QXZNDYIPUPRXBK-XJKSGUPXSA-N 1 3 276.428 2.044 10 0 CEAEHO Cc1nccn1CC[N@@H+]1C[C@](C)(C2CC2)NCC[C@@H]1C ZINC000085623652 179105262 /nfs/dbraw/zinc/10/52/62/179105262.db2.gz QXZNDYIPUPRXBK-XJKSGUPXSA-N 1 3 276.428 2.044 10 0 CEAEHO C[C@@H]1CCNC2(CCCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085621146 179106200 /nfs/dbraw/zinc/10/62/00/179106200.db2.gz LTNPMOWCLMKRGI-CABCVRRESA-N 1 3 266.429 2.410 10 0 CEAEHO C[C@@H]1CCNC2(CCCCC2)C[N@H+]1C[C@@H]1CCOC1 ZINC000085621146 179106203 /nfs/dbraw/zinc/10/62/03/179106203.db2.gz LTNPMOWCLMKRGI-CABCVRRESA-N 1 3 266.429 2.410 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@@H+]([C@@H]2CN3CCC2CC3)[C@@H](CC)CN1 ZINC000086152527 179240534 /nfs/dbraw/zinc/24/05/34/179240534.db2.gz FFUDOIQCPHCQCP-QSPRXWTASA-N 1 3 279.472 2.179 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@H+]([C@@H]2CN3CCC2CC3)[C@@H](CC)CN1 ZINC000086152527 179240536 /nfs/dbraw/zinc/24/05/36/179240536.db2.gz FFUDOIQCPHCQCP-QSPRXWTASA-N 1 3 279.472 2.179 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@H+](C[C@@H]2CCN(C)C2)[C@@H](CC)CN1 ZINC000086171858 179243510 /nfs/dbraw/zinc/24/35/10/179243510.db2.gz LWLOSSPDDDOWHS-XUWVNRHRSA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@@H+](C[C@@H]2CCN(C)C2)[C@@H](CC)CN1 ZINC000086171858 179243511 /nfs/dbraw/zinc/24/35/11/179243511.db2.gz LWLOSSPDDDOWHS-XUWVNRHRSA-N 1 3 267.461 2.037 10 0 CEAEHO CC(C)[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1[C@@H]1CCCN(C)C1 ZINC000086172121 179244967 /nfs/dbraw/zinc/24/49/67/179244967.db2.gz BPWNBHVDIQHWJK-OAGGEKHMSA-N 1 3 267.461 2.035 10 0 CEAEHO CC(C)[C@@H]1CN[C@@H](C(C)C)C[N@H+]1[C@@H]1CCCN(C)C1 ZINC000086172121 179244968 /nfs/dbraw/zinc/24/49/68/179244968.db2.gz BPWNBHVDIQHWJK-OAGGEKHMSA-N 1 3 267.461 2.035 10 0 CEAEHO CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)CN1[C@@H]1CCCN(C)C1 ZINC000086172121 179244969 /nfs/dbraw/zinc/24/49/69/179244969.db2.gz BPWNBHVDIQHWJK-OAGGEKHMSA-N 1 3 267.461 2.035 10 0 CEAEHO C[C@@H]1CN[C@@H](c2ccccc2)C[N@@H+]1C1CCN(C)CC1 ZINC000086217789 179249462 /nfs/dbraw/zinc/24/94/62/179249462.db2.gz UPWHDWVSAKXAKM-RHSMWYFYSA-N 1 3 273.424 2.116 10 0 CEAEHO C[C@@H]1CN[C@@H](c2ccccc2)C[N@H+]1C1CCN(C)CC1 ZINC000086217789 179249463 /nfs/dbraw/zinc/24/94/63/179249463.db2.gz UPWHDWVSAKXAKM-RHSMWYFYSA-N 1 3 273.424 2.116 10 0 CEAEHO CC(C)[C@H]1CNC2(CCCC2)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223181 179251908 /nfs/dbraw/zinc/25/19/08/179251908.db2.gz ACMYABMKFUEBPO-HZPDHXFCSA-N 1 3 279.472 2.181 10 0 CEAEHO CC(C)[C@H]1CNC2(CCCC2)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223181 179251910 /nfs/dbraw/zinc/25/19/10/179251910.db2.gz ACMYABMKFUEBPO-HZPDHXFCSA-N 1 3 279.472 2.181 10 0 CEAEHO CC(C)[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1[C@@H](C)CCN(C)C ZINC000086227532 179254725 /nfs/dbraw/zinc/25/47/25/179254725.db2.gz GXHDLPUHTOOTLL-BHYGNILZSA-N 1 3 281.488 2.425 10 0 CEAEHO CC(C)[C@@H]1CN[C@@](C)(C2CC2)C[N@H+]1[C@@H](C)CCN(C)C ZINC000086227532 179254726 /nfs/dbraw/zinc/25/47/26/179254726.db2.gz GXHDLPUHTOOTLL-BHYGNILZSA-N 1 3 281.488 2.425 10 0 CEAEHO C[C@H]1C[NH2+][C@H](C2CCCCC2)CN1[C@@H]1CN2CCC1CC2 ZINC000086182590 179247860 /nfs/dbraw/zinc/24/78/60/179247860.db2.gz ODYSDKZAQFTGOT-JCGIZDLHSA-N 1 3 291.483 2.323 10 0 CEAEHO CC(C)[C@@H]1CNC(C)(C)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259229 179258118 /nfs/dbraw/zinc/25/81/18/179258118.db2.gz SOYSJAVPAJWXBN-CABCVRRESA-N 1 3 267.461 2.037 10 0 CEAEHO CC(C)[C@@H]1CNC(C)(C)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259229 179258119 /nfs/dbraw/zinc/25/81/19/179258119.db2.gz SOYSJAVPAJWXBN-CABCVRRESA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259217 179258455 /nfs/dbraw/zinc/25/84/55/179258455.db2.gz MYPFLPHGAWYLNW-OAGGEKHMSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@@H]1CN[C@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259217 179258457 /nfs/dbraw/zinc/25/84/57/179258457.db2.gz MYPFLPHGAWYLNW-OAGGEKHMSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@@H]1CN[C@](C)(CC)C[N@@H+]1C[C@@H]1CCCCN1C ZINC000086259341 179258482 /nfs/dbraw/zinc/25/84/82/179258482.db2.gz RZVUWVANHKMODE-OWCLPIDISA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@@H]1CN[C@](C)(CC)C[N@H+]1C[C@@H]1CCCCN1C ZINC000086259341 179258483 /nfs/dbraw/zinc/25/84/83/179258483.db2.gz RZVUWVANHKMODE-OWCLPIDISA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@@H](C)[C@@H]1C[N@@H+]([C@@H](C)[C@@H]2CCCO2)CCCN1 ZINC000086287084 179264730 /nfs/dbraw/zinc/26/47/30/179264730.db2.gz GFMRCZKLCPPUPS-QPSCCSFWSA-N 1 3 254.418 2.264 10 0 CEAEHO CC[C@@H](C)[C@@H]1C[N@H+]([C@@H](C)[C@@H]2CCCO2)CCCN1 ZINC000086287084 179264731 /nfs/dbraw/zinc/26/47/31/179264731.db2.gz GFMRCZKLCPPUPS-QPSCCSFWSA-N 1 3 254.418 2.264 10 0 CEAEHO C[C@@]1(C2CC2)C[N@H+](CCc2ccncc2)CCCN1 ZINC000086288765 179264817 /nfs/dbraw/zinc/26/48/17/179264817.db2.gz OZQFRHJIOZDSNF-INIZCTEOSA-N 1 3 259.397 2.088 10 0 CEAEHO C[C@@]1(C2CC2)C[N@@H+](CCc2ccncc2)CCCN1 ZINC000086288765 179264818 /nfs/dbraw/zinc/26/48/18/179264818.db2.gz OZQFRHJIOZDSNF-INIZCTEOSA-N 1 3 259.397 2.088 10 0 CEAEHO CCC1(CC)C[N@H+](CCc2cccnc2)CCCN1 ZINC000086288748 179265021 /nfs/dbraw/zinc/26/50/21/179265021.db2.gz HIPQJNMNERTPNO-UHFFFAOYSA-N 1 3 261.413 2.478 10 0 CEAEHO CCC1(CC)C[N@@H+](CCc2cccnc2)CCCN1 ZINC000086288748 179265022 /nfs/dbraw/zinc/26/50/22/179265022.db2.gz HIPQJNMNERTPNO-UHFFFAOYSA-N 1 3 261.413 2.478 10 0 CEAEHO CC[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1CC1CCN(C)CC1 ZINC000086259009 179256428 /nfs/dbraw/zinc/25/64/28/179256428.db2.gz JDZGONGKYRXWRD-HOTGVXAUSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@H]1CN[C@H](C(C)(C)C)C[N@H+]1CC1CCN(C)CC1 ZINC000086259009 179256430 /nfs/dbraw/zinc/25/64/30/179256430.db2.gz JDZGONGKYRXWRD-HOTGVXAUSA-N 1 3 281.488 2.427 10 0 CEAEHO CO[C@H]1CCC[C@H]1[N@@H+]1CCCN[C@@H](CC(C)C)C1 ZINC000086293517 179267966 /nfs/dbraw/zinc/26/79/66/179267966.db2.gz YSVDFYUKRGOZQL-ZNMIVQPWSA-N 1 3 254.418 2.264 10 0 CEAEHO CO[C@H]1CCC[C@H]1[N@H+]1CCCN[C@@H](CC(C)C)C1 ZINC000086293517 179267967 /nfs/dbraw/zinc/26/79/67/179267967.db2.gz YSVDFYUKRGOZQL-ZNMIVQPWSA-N 1 3 254.418 2.264 10 0 CEAEHO CO[C@H]1CCC[C@H]1N1CCC[NH2+][C@@H](CC(C)C)C1 ZINC000086293517 179267968 /nfs/dbraw/zinc/26/79/68/179267968.db2.gz YSVDFYUKRGOZQL-ZNMIVQPWSA-N 1 3 254.418 2.264 10 0 CEAEHO CCC[NH2+][C@@H]1CCN([C@@H](COC)C(C)C)C[C@@H]1C ZINC000086701583 179321644 /nfs/dbraw/zinc/32/16/44/179321644.db2.gz HMJZIHROSKUAQX-ZNMIVQPWSA-N 1 3 256.434 2.367 10 0 CEAEHO CCCN1CCC[C@@](CN)([N@@H+]2CCC[C@@H]2C)CC1 ZINC000086847373 179356061 /nfs/dbraw/zinc/35/60/61/179356061.db2.gz HQOGJTHPXVTGKG-LSDHHAIUSA-N 1 3 253.434 2.064 10 0 CEAEHO CCCN1CCC[C@@](CN)([N@H+]2CCC[C@@H]2C)CC1 ZINC000086847373 179356063 /nfs/dbraw/zinc/35/60/63/179356063.db2.gz HQOGJTHPXVTGKG-LSDHHAIUSA-N 1 3 253.434 2.064 10 0 CEAEHO CCCN1CCC[C@](CN)([N@H+](CC2CC2)C2CC2)CC1 ZINC000086848963 179357849 /nfs/dbraw/zinc/35/78/49/179357849.db2.gz LGKBTLYMWVPZSW-KRWDZBQOSA-N 1 3 279.472 2.454 10 0 CEAEHO CCCN1CCC[C@](CN)([N@@H+](CC2CC2)C2CC2)CC1 ZINC000086848963 179357850 /nfs/dbraw/zinc/35/78/50/179357850.db2.gz LGKBTLYMWVPZSW-KRWDZBQOSA-N 1 3 279.472 2.454 10 0 CEAEHO CC[N@H+](C(C)C)[C@]1(CN)CCCN(C(C)C)CC1 ZINC000086846702 179354343 /nfs/dbraw/zinc/35/43/43/179354343.db2.gz WRFQBZLZIQNIGL-OAHLLOKOSA-N 1 3 255.450 2.309 10 0 CEAEHO CC[N@@H+](C(C)C)[C@]1(CN)CCCN(C(C)C)CC1 ZINC000086846702 179354344 /nfs/dbraw/zinc/35/43/44/179354344.db2.gz WRFQBZLZIQNIGL-OAHLLOKOSA-N 1 3 255.450 2.309 10 0 CEAEHO CCCN1CCC[C@@](CN)([N@H+](CC)CC2CC2)CC1 ZINC000086848839 179358365 /nfs/dbraw/zinc/35/83/65/179358365.db2.gz ONIHANUPQONEKL-MRXNPFEDSA-N 1 3 267.461 2.312 10 0 CEAEHO CCCN1CCC[C@@](CN)([N@@H+](CC)CC2CC2)CC1 ZINC000086848839 179358367 /nfs/dbraw/zinc/35/83/67/179358367.db2.gz ONIHANUPQONEKL-MRXNPFEDSA-N 1 3 267.461 2.312 10 0 CEAEHO CC[C@@H]1CCC[C@](CN)([N@@H+]2CC[C@H](N(C)C)C2)CC1 ZINC000086913420 179367374 /nfs/dbraw/zinc/36/73/74/179367374.db2.gz WUBWHLMJNBIEHF-PMPSAXMXSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@@H]1CCC[C@](CN)([N@H+]2CC[C@H](N(C)C)C2)CC1 ZINC000086913420 179367375 /nfs/dbraw/zinc/36/73/75/179367375.db2.gz WUBWHLMJNBIEHF-PMPSAXMXSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@H]1CCC[C@](CO)(N2CCC[NH2+]CC2)CC1 ZINC000086920919 179367964 /nfs/dbraw/zinc/36/79/64/179367964.db2.gz IUMIFPZCPYTOBG-GJZGRUSLSA-N 1 3 254.418 2.003 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[NH+]1CCc2ccccc2CC1 ZINC000090567115 180006669 /nfs/dbraw/zinc/00/66/69/180006669.db2.gz HWNPDSOPLSWZMX-QZTJIDSGSA-N 1 3 288.435 2.102 10 0 CEAEHO CCC[NH2+][C@@H]1COC[C@H]1CN1CCc2ccccc2CC1 ZINC000090567115 180006672 /nfs/dbraw/zinc/00/66/72/180006672.db2.gz HWNPDSOPLSWZMX-QZTJIDSGSA-N 1 3 288.435 2.102 10 0 CEAEHO C[NH+](C)CC(C)(C)CNC[C@H]1Cc2ccccc2O1 ZINC000090874134 180049656 /nfs/dbraw/zinc/04/96/56/180049656.db2.gz VGLULTWFQLOLTQ-CQSZACIVSA-N 1 3 262.397 2.168 10 0 CEAEHO C[C@@H]1CC[C@H](C[NH3+])CN1Cc1c[nH]c2ncccc12 ZINC000091019754 180088194 /nfs/dbraw/zinc/08/81/94/180088194.db2.gz AIXBXWJPZJSOMR-VXGBXAGGSA-N 1 3 258.369 2.122 10 0 CEAEHO CN(Cc1c[nH]c2ncccc12)[C@H]1CCC[C@@H]1C[NH3+] ZINC000091019879 180088243 /nfs/dbraw/zinc/08/82/43/180088243.db2.gz SGAQWIKMCNZDRF-RISCZKNCSA-N 1 3 258.369 2.122 10 0 CEAEHO C[N@H+](Cc1c[nH]c2ncccc12)[C@H]1CCC[C@@H]1CN ZINC000091019879 180088245 /nfs/dbraw/zinc/08/82/45/180088245.db2.gz SGAQWIKMCNZDRF-RISCZKNCSA-N 1 3 258.369 2.122 10 0 CEAEHO C[N@@H+](Cc1c[nH]c2ncccc12)[C@H]1CCC[C@@H]1CN ZINC000091019879 180088246 /nfs/dbraw/zinc/08/82/46/180088246.db2.gz SGAQWIKMCNZDRF-RISCZKNCSA-N 1 3 258.369 2.122 10 0 CEAEHO COc1cccc(CN2CCC(C[NH3+])(SC)CC2)c1 ZINC000091470814 180165002 /nfs/dbraw/zinc/16/50/02/180165002.db2.gz RQSNOUWWUGAZAR-UHFFFAOYSA-N 1 3 280.437 2.352 10 0 CEAEHO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CN(C)CC1CC(O)C1 ZINC000091489420 180169273 /nfs/dbraw/zinc/16/92/73/180169273.db2.gz ANYGYRIZINNXOM-PVNJOJHASA-N 1 3 268.445 2.103 10 0 CEAEHO CC(C)C[NH2+]CC[C@](C)(O)[C@@H]1NCc2ccccc21 ZINC000091521036 180178309 /nfs/dbraw/zinc/17/83/09/180178309.db2.gz GHIQCMGRJCZTQF-CVEARBPZSA-N 1 3 262.397 2.218 10 0 CEAEHO CCC[NH2+][C@@H](CCN(CC)CC)Cc1ccnc(N)c1 ZINC000091716752 180232297 /nfs/dbraw/zinc/23/22/97/180232297.db2.gz VHPQSDZHJKEVGF-HNNXBMFYSA-N 1 3 278.444 2.306 10 0 CEAEHO CC[C@@H](C)n1ccc(C[C@@H]([NH3+])CCN(CC)CC)n1 ZINC000091715734 180232667 /nfs/dbraw/zinc/23/26/67/180232667.db2.gz UUQMKSAIEAAAIF-KGLIPLIRSA-N 1 3 266.433 2.456 10 0 CEAEHO Cc1cc(C)n2cc(CN(C)C3CCC([NH3+])CC3)nc2n1 ZINC000091846615 180270251 /nfs/dbraw/zinc/27/02/51/180270251.db2.gz WAILMBISTCCOCT-UHFFFAOYSA-N 1 3 287.411 2.048 10 0 CEAEHO CCN(CC(=O)Nc1ccc(F)cc1)C1CCC([NH3+])CC1 ZINC000091850926 180272252 /nfs/dbraw/zinc/27/22/52/180272252.db2.gz HDTVUGVSRRNCDJ-UHFFFAOYSA-N 1 3 293.386 2.356 10 0 CEAEHO CCC[NH2+]C1CCC(N(C)[C@@H](C)C(=O)N2CCCC2)CC1 ZINC000091870156 180277143 /nfs/dbraw/zinc/27/71/43/180277143.db2.gz YVBRRDZUWZYNBZ-FHERZECASA-N 1 3 295.471 2.240 10 0 CEAEHO CCCNC(=O)[C@@H](C)N(C)C1CCC([NH2+]CCC)CC1 ZINC000091870162 180277563 /nfs/dbraw/zinc/27/75/63/180277563.db2.gz QUEQLLPADVXQOG-WLYUNCDWSA-N 1 3 283.460 2.144 10 0 CEAEHO CCNCc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)oc1C ZINC000092003663 180304256 /nfs/dbraw/zinc/30/42/56/180304256.db2.gz MTXIRBRPRVIHTB-CVEARBPZSA-N 1 3 291.439 2.366 10 0 CEAEHO CCNCc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)oc1C ZINC000092003663 180304258 /nfs/dbraw/zinc/30/42/58/180304258.db2.gz MTXIRBRPRVIHTB-CVEARBPZSA-N 1 3 291.439 2.366 10 0 CEAEHO CN(c1cc(CN)nc2ccccc21)[C@H]1CCC[N@H+](C)C1 ZINC000109589457 186265243 /nfs/dbraw/zinc/26/52/43/186265243.db2.gz JWOASJGSOYDHMG-AWEZNQCLSA-N 1 3 284.407 2.224 10 0 CEAEHO CN(c1cc(CN)nc2ccccc21)[C@H]1CCC[N@@H+](C)C1 ZINC000109589457 186265245 /nfs/dbraw/zinc/26/52/45/186265245.db2.gz JWOASJGSOYDHMG-AWEZNQCLSA-N 1 3 284.407 2.224 10 0 CEAEHO COC(=O)C[C@@H]1CCCCN1Cc1cccc(C[NH3+])c1 ZINC000109604108 186267964 /nfs/dbraw/zinc/26/79/64/186267964.db2.gz IQFWQAKTEMMGDY-HNNXBMFYSA-N 1 3 276.380 2.063 10 0 CEAEHO CC[NH2+][C@H](CC)[C@H](C)c1nc(CCN(CC)CC)no1 ZINC000110478304 186298864 /nfs/dbraw/zinc/29/88/64/186298864.db2.gz QYRNMAWZGKMQDT-QWHCGFSZSA-N 1 3 282.432 2.446 10 0 CEAEHO CCC[NH2+][C@H](CC)[C@H](C)N1CCN(C)C(C)(C)C1 ZINC000110717319 186315366 /nfs/dbraw/zinc/31/53/66/186315366.db2.gz LOPSNTGOPZMZNJ-UONOGXRCSA-N 1 3 255.450 2.179 10 0 CEAEHO CC[C@@H]1CN(Cc2cc([C@@H](C)[NH3+])ccc2OC)CCN1C ZINC000110715892 186315758 /nfs/dbraw/zinc/31/57/58/186315758.db2.gz POBOHOGLWODHEK-CZUORRHYSA-N 1 3 291.439 2.241 10 0 CEAEHO Cc1cc(C)cc([C@H](C[NH3+])N2CCN(C)C(C)(C)C2)c1 ZINC000110711452 186315870 /nfs/dbraw/zinc/31/58/70/186315870.db2.gz VZJAKANWMPFZMD-INIZCTEOSA-N 1 3 275.440 2.329 10 0 CEAEHO Cc1ccc(C)c([C@H](C[NH3+])N2CCN(C)C(C)(C)C2)c1 ZINC000110711442 186316032 /nfs/dbraw/zinc/31/60/32/186316032.db2.gz WCESVDOIHQBCRX-INIZCTEOSA-N 1 3 275.440 2.329 10 0 CEAEHO C[NH2+][C@@H](c1ccccc1)[C@H](C)N1CCN(C)C(C)(C)C1 ZINC000110717144 186316107 /nfs/dbraw/zinc/31/61/07/186316107.db2.gz IMFONBICKLPSAG-GOEBONIOSA-N 1 3 275.440 2.362 10 0 CEAEHO CC[C@@H]1CN([C@@H]2CCCCCC[C@@H]2[NH3+])CCN1C ZINC000110715472 186316402 /nfs/dbraw/zinc/31/64/02/186316402.db2.gz SDTRWNKZAFAXIY-QLFBSQMISA-N 1 3 253.434 2.063 10 0 CEAEHO CC[C@H]1CN(CCC[NH2+]C2CCCCC2)CCN1C ZINC000110757046 186319932 /nfs/dbraw/zinc/31/99/32/186319932.db2.gz JWGNYCBBUVYOCB-INIZCTEOSA-N 1 3 267.461 2.325 10 0 CEAEHO CC[C@H]1CN([C@@H](C)C[NH2+]C2CCCCC2)CCN1C ZINC000110757037 186320530 /nfs/dbraw/zinc/32/05/30/186320530.db2.gz PEGPSTCALHIYCP-HOCLYGCPSA-N 1 3 267.461 2.323 10 0 CEAEHO C[NH2+]C[C@@]1(CN(CCC(C)C)C2CC2)CCOC1 ZINC000111022621 186345243 /nfs/dbraw/zinc/34/52/43/186345243.db2.gz KKVYMNUIYIUOEB-OAHLLOKOSA-N 1 3 254.418 2.123 10 0 CEAEHO CNC[C@@]1(C[N@H+](CCC(C)C)C2CC2)CCOC1 ZINC000111022621 186345244 /nfs/dbraw/zinc/34/52/44/186345244.db2.gz KKVYMNUIYIUOEB-OAHLLOKOSA-N 1 3 254.418 2.123 10 0 CEAEHO CNC[C@@]1(C[N@@H+](CCC(C)C)C2CC2)CCOC1 ZINC000111022621 186345246 /nfs/dbraw/zinc/34/52/46/186345246.db2.gz KKVYMNUIYIUOEB-OAHLLOKOSA-N 1 3 254.418 2.123 10 0 CEAEHO Cc1cc(CN(C)CCN(C)C)oc1C[NH2+]CC(C)C ZINC000111149921 186360964 /nfs/dbraw/zinc/36/09/64/186360964.db2.gz TVZAOWOBTNJFKU-UHFFFAOYSA-N 1 3 281.444 2.327 10 0 CEAEHO Cc1nc(N(C)CCC[NH+](C)C)sc1CNC1CC1 ZINC000111152103 186361088 /nfs/dbraw/zinc/36/10/88/186361088.db2.gz POWFSHRJOLQRBY-UHFFFAOYSA-N 1 3 282.457 2.091 10 0 CEAEHO C[C@@H](C[C@@H](C[NH3+])N(C)CCN(C)C)c1ccccc1 ZINC000111132939 186355813 /nfs/dbraw/zinc/35/58/13/186355813.db2.gz VLGJJNFLIHZGHL-HOCLYGCPSA-N 1 3 263.429 2.001 10 0 CEAEHO CC[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)N(C)CCN(C)C ZINC000111134961 186356956 /nfs/dbraw/zinc/35/69/56/186356956.db2.gz ZXLJLINZGCNVPX-PBHICJAKSA-N 1 3 293.455 2.228 10 0 CEAEHO CC[NH2+][C@@H]1c2ccccc2CC[C@H]1N(C)CCN(C)C ZINC000111134506 186357962 /nfs/dbraw/zinc/35/79/62/186357962.db2.gz RNGJPBLVQMJOPI-IAGOWNOFSA-N 1 3 275.440 2.145 10 0 CEAEHO CCC[C@@H]1CC[C@H]([NH2+]C)[C@H](N(C)CCN(C)C)C1 ZINC000111134447 186358068 /nfs/dbraw/zinc/35/80/68/186358068.db2.gz YXRZLGHEWSXWHU-QLFBSQMISA-N 1 3 255.450 2.037 10 0 CEAEHO C[NH2+][C@H](CCN(C)CCN(C)C)c1cccc(Cl)c1 ZINC000111146934 186358418 /nfs/dbraw/zinc/35/84/18/186358418.db2.gz NIQSIPUCBIHCGZ-OAHLLOKOSA-N 1 3 283.847 2.484 10 0 CEAEHO CCNCc1c(C)cc(C)nc1N(C)CCC[NH+](C)C ZINC000111149258 186359080 /nfs/dbraw/zinc/35/90/80/186359080.db2.gz FOLRCWWJSDTVFP-UHFFFAOYSA-N 1 3 278.444 2.196 10 0 CEAEHO CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1CN(C)CCN(C)C ZINC000111147117 186359084 /nfs/dbraw/zinc/35/90/84/186359084.db2.gz UDMPNUNFSJONOF-OAGGEKHMSA-N 1 3 269.477 2.284 10 0 CEAEHO CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CN(C)CCN(C)C ZINC000111147114 186359278 /nfs/dbraw/zinc/35/92/78/186359278.db2.gz UDMPNUNFSJONOF-BZUAXINKSA-N 1 3 269.477 2.284 10 0 CEAEHO CCC[C@](C)(C[NH2+]C)CN(C)C[C@@H]1CCCOC1 ZINC000111171585 186364745 /nfs/dbraw/zinc/36/47/45/186364745.db2.gz KSSULESNWYZSJI-LSDHHAIUSA-N 1 3 256.434 2.371 10 0 CEAEHO CCC[C@](C)(CNC)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111171585 186364747 /nfs/dbraw/zinc/36/47/47/186364747.db2.gz KSSULESNWYZSJI-LSDHHAIUSA-N 1 3 256.434 2.371 10 0 CEAEHO CCC[C@](C)(CNC)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111171585 186364749 /nfs/dbraw/zinc/36/47/49/186364749.db2.gz KSSULESNWYZSJI-LSDHHAIUSA-N 1 3 256.434 2.371 10 0 CEAEHO C[NH2+][C@@H]1CCCC[C@H]1CN(C)C[C@@H]1CCCOC1 ZINC000111171870 186364874 /nfs/dbraw/zinc/36/48/74/186364874.db2.gz IHVGWLXUHXQWEY-SOUVJXGZSA-N 1 3 254.418 2.123 10 0 CEAEHO CCC[NH2+]C[C@@]1(CN(C)CC2CC2)CCCOC1 ZINC000111326077 186398781 /nfs/dbraw/zinc/39/87/81/186398781.db2.gz FQDKUUPGGAELOK-OAHLLOKOSA-N 1 3 254.418 2.125 10 0 CEAEHO CCN(CC)Cc1ccccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111266850 186382699 /nfs/dbraw/zinc/38/26/99/186382699.db2.gz RUCCXQQZFGYBTP-ZFWWWQNUSA-N 1 3 289.423 2.322 10 0 CEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]CC(C)(C)O ZINC000634576585 368726082 /nfs/dbraw/zinc/72/60/82/368726082.db2.gz VIDMNOYCLXHQAW-ZBFHGGJFSA-N 1 3 276.424 2.115 10 0 CEAEHO CN(CCC(=O)Nc1cccc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000231668626 370485946 /nfs/dbraw/zinc/48/59/46/370485946.db2.gz MHGRXQUQKFMQFC-HNNXBMFYSA-N 1 3 293.386 2.228 10 0 CEAEHO CCOc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261588177 371664459 /nfs/dbraw/zinc/66/44/59/371664459.db2.gz KAWQKENHNMRJPA-BPUTZDHNSA-N 1 3 260.381 2.254 10 0 CEAEHO COc1ccc(C)cc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261591167 371667160 /nfs/dbraw/zinc/66/71/60/371667160.db2.gz LSJRUEXVVVLBGM-QEJZJMRPSA-N 1 3 260.381 2.173 10 0 CEAEHO O[C@H]1C[C@H](c2ccc(F)c(F)c2)N(CC2CC[NH2+]CC2)C1 ZINC000262025076 371804104 /nfs/dbraw/zinc/80/41/04/371804104.db2.gz WOCWNZYLNNRQDS-XJKSGUPXSA-N 1 3 296.361 2.072 10 0 CEAEHO OCC[C@H]([NH2+][C@@H]1CCCNCC1)C1CCCCC1 ZINC000423007351 376927277 /nfs/dbraw/zinc/92/72/77/376927277.db2.gz QKOYJDDGNVPYMV-CABCVRRESA-N 1 3 254.418 2.049 10 0 CEAEHO [NH3+]C1CCN(CCN(Cc2cccs2)C2CC2)CC1 ZINC000092721346 184623196 /nfs/dbraw/zinc/62/31/96/184623196.db2.gz WVXHIALUSBZLGZ-UHFFFAOYSA-N 1 3 279.453 2.136 10 0 CEAEHO CCN[C@H]1[C@H](C[NH+]2CCCC2)C(C)(C)OC1(C)C ZINC000094427353 184796100 /nfs/dbraw/zinc/79/61/00/184796100.db2.gz VCLAKSVUROQBNJ-STQMWFEESA-N 1 3 254.418 2.264 10 0 CEAEHO CN[C@@H](CCN(C)CCC[NH+](C)C)c1cc(F)cc(F)c1 ZINC000094830680 184876650 /nfs/dbraw/zinc/87/66/50/184876650.db2.gz ATWZKGPMIBNUGM-INIZCTEOSA-N 1 3 299.409 2.499 10 0 CEAEHO C[C@@H](NCCc1c[nH]c2ccccc12)[C@@H]1CC[NH2+]C1 ZINC000400530511 533404620 /nfs/dbraw/zinc/40/46/20/533404620.db2.gz RNQISJDNSICKLT-CHWSQXEVSA-N 1 3 257.381 2.298 10 0 CEAEHO [NH3+]CCC1(CN2CCN(c3ccccc3F)CC2)CC1 ZINC000088249271 135053666 /nfs/dbraw/zinc/05/36/66/135053666.db2.gz YYOBDTLKEXCMMI-UHFFFAOYSA-N 1 3 277.387 2.077 10 0 CEAEHO OC[C@@H]1CCC[C@@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000089495844 135059322 /nfs/dbraw/zinc/05/93/22/135059322.db2.gz LYTJXPYFSLOKJY-CABCVRRESA-N 1 3 289.423 2.049 10 0 CEAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@H](C)CC(=O)OC(C)(C)C)C1 ZINC000246135008 394509431 /nfs/dbraw/zinc/50/94/31/394509431.db2.gz AGYHKWFBOPPCNZ-MCIONIFRSA-N 1 3 284.444 2.425 10 0 CEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@H](C)CC(=O)OC(C)(C)C)C1 ZINC000246135008 394509432 /nfs/dbraw/zinc/50/94/32/394509432.db2.gz AGYHKWFBOPPCNZ-MCIONIFRSA-N 1 3 284.444 2.425 10 0 CEAEHO COc1ccc(F)cc1CNC1CCC([NH3+])CC1 ZINC000258908290 394599094 /nfs/dbraw/zinc/59/90/94/394599094.db2.gz WYRFQWXBWCKZOO-UHFFFAOYSA-N 1 3 252.333 2.194 10 0 CEAEHO C[C@@H]1CC[C@H](CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)O1 ZINC000381292400 395174371 /nfs/dbraw/zinc/17/43/71/395174371.db2.gz JZAQESWTZLKLBK-DZUCGIPZSA-N 1 3 274.408 2.228 10 0 CEAEHO CC(C)C[C@H](CN(C)C)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000165345160 162344109 /nfs/dbraw/zinc/34/41/09/162344109.db2.gz SVQJTKQBTGIWME-GOEBONIOSA-N 1 3 297.487 2.105 10 0 CEAEHO CN(C)Cc1ccccc1C[NH2+][C@H]1CCSC1 ZINC000020128570 171015420 /nfs/dbraw/zinc/01/54/20/171015420.db2.gz URHYWNSPTNWCCP-AWEZNQCLSA-N 1 3 250.411 2.343 10 0 CEAEHO NCc1ccccc1NC(=O)CCC[NH+]1CCCCC1 ZINC000022169088 171367301 /nfs/dbraw/zinc/36/73/01/171367301.db2.gz RNCLGTRVHNAEON-UHFFFAOYSA-N 1 3 275.396 2.350 10 0 CEAEHO CCOc1ccccc1[C@H](C[NH3+])N(C)C1CCN(C)CC1 ZINC000022213087 171374300 /nfs/dbraw/zinc/37/43/00/171374300.db2.gz GTFKNARQJXQJER-INIZCTEOSA-N 1 3 291.439 2.111 10 0 CEAEHO CC[C@@H]1CO[C@H](C)CN1[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000036128007 172448797 /nfs/dbraw/zinc/44/87/97/172448797.db2.gz MOLJSXNUMFBSPD-KBUPBQIOSA-N 1 3 254.418 2.393 10 0 CEAEHO CC[C@@H](C)C[N@H+](C)C1(CN)CCN(C(C)C)CC1 ZINC000037172720 173006653 /nfs/dbraw/zinc/00/66/53/173006653.db2.gz IYMBVJFEEUSMNK-CQSZACIVSA-N 1 3 255.450 2.166 10 0 CEAEHO CC[C@@H](C)C[N@@H+](C)C1(CN)CCN(C(C)C)CC1 ZINC000037172720 173006656 /nfs/dbraw/zinc/00/66/56/173006656.db2.gz IYMBVJFEEUSMNK-CQSZACIVSA-N 1 3 255.450 2.166 10 0 CEAEHO Cc1cccc([C@H](C[NH3+])N2CCN(CC3CC3)CC2)c1C ZINC000043314886 175004875 /nfs/dbraw/zinc/00/48/75/175004875.db2.gz KUJZZCBCJXDSML-SFHVURJKSA-N 1 3 287.451 2.331 10 0 CEAEHO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N(C)C1CCN(C)CC1 ZINC000043363798 175024732 /nfs/dbraw/zinc/02/47/32/175024732.db2.gz SWEWWNCYVCGELL-GOEBONIOSA-N 1 3 279.428 2.392 10 0 CEAEHO CC[C@H]([NH3+])[C@H](N(CCN(C)C)CC(C)C)C(F)(F)F ZINC000043379257 175030904 /nfs/dbraw/zinc/03/09/04/175030904.db2.gz NRPICWKTJXFOQX-RYUDHWBXSA-N 1 3 283.382 2.174 10 0 CEAEHO CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CCCN(C)CC1 ZINC000043818519 175113075 /nfs/dbraw/zinc/11/30/75/175113075.db2.gz VNROVPZVNPUKOT-OAGGEKHMSA-N 1 3 267.461 2.181 10 0 CEAEHO C[NH2+][C@H](CN1CCCN(C)CC1)c1ccc(C)c(C)c1 ZINC000043818215 175113360 /nfs/dbraw/zinc/11/33/60/175113360.db2.gz AEZCAXPCLFETHD-QGZVFWFLSA-N 1 3 275.440 2.201 10 0 CEAEHO CCC[NH2+][C@@H](CN1CCN(C(C)C)CC1)C(C)(C)C ZINC000043897159 175119745 /nfs/dbraw/zinc/11/97/45/175119745.db2.gz YLDZAMIUMQMTAA-HNNXBMFYSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[NH2+][C@H]1CCCCC[C@H]1N1CCN(C(C)C)CC1 ZINC000043897066 175120039 /nfs/dbraw/zinc/12/00/39/175120039.db2.gz SQQQYMDFPPJUKM-JKSUJKDBSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@H](C[NH3+])C(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000044798075 175255143 /nfs/dbraw/zinc/25/51/43/175255143.db2.gz GVGKBUMWKQYCSG-GDBMZVCRSA-N 1 3 291.439 2.171 10 0 CEAEHO CCCC(C[NH3+])(CCC)C(=O)N[C@H](CN(C)C)C(C)C ZINC000044806021 175256474 /nfs/dbraw/zinc/25/64/74/175256474.db2.gz JLQIXXRXWKDTDV-CQSZACIVSA-N 1 3 285.476 2.234 10 0 CEAEHO CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCN(C)C2)c1C ZINC000045171418 175321329 /nfs/dbraw/zinc/32/13/29/175321329.db2.gz HDNZNXUBUOVSEB-RISCZKNCSA-N 1 3 264.417 2.122 10 0 CEAEHO CC[N@H+](CCC[C@](C)(NC1CC1)C(N)=O)C1CCCCC1 ZINC000045372473 175364917 /nfs/dbraw/zinc/36/49/17/175364917.db2.gz NUOBZJBIGVWEOU-KRWDZBQOSA-N 1 3 295.471 2.417 10 0 CEAEHO CC[N@@H+](CCC[C@](C)(NC1CC1)C(N)=O)C1CCCCC1 ZINC000045372473 175364918 /nfs/dbraw/zinc/36/49/18/175364918.db2.gz NUOBZJBIGVWEOU-KRWDZBQOSA-N 1 3 295.471 2.417 10 0 CEAEHO CC(C)N[C@@](C)(CCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379757 175369084 /nfs/dbraw/zinc/36/90/84/175369084.db2.gz JEQMJRIWEDMLLU-DZKIICNBSA-N 1 3 283.460 2.272 10 0 CEAEHO CC[N@H+](CCCC[C@](C)(NC1CC1)C(N)=O)C1CCCC1 ZINC000045390522 175374418 /nfs/dbraw/zinc/37/44/18/175374418.db2.gz TUSGQWBDBDBPNU-KRWDZBQOSA-N 1 3 295.471 2.417 10 0 CEAEHO CC[N@@H+](CCCC[C@](C)(NC1CC1)C(N)=O)C1CCCC1 ZINC000045390522 175374420 /nfs/dbraw/zinc/37/44/20/175374420.db2.gz TUSGQWBDBDBPNU-KRWDZBQOSA-N 1 3 295.471 2.417 10 0 CEAEHO CC[C@H]1C[C@H]([NH2+]C[C@@H]2CCN(C(C)C)C2)CCO1 ZINC000070359415 175889081 /nfs/dbraw/zinc/88/90/81/175889081.db2.gz SFASATPXHGOJJT-ZNMIVQPWSA-N 1 3 254.418 2.264 10 0 CEAEHO Cc1cnc(CCN[C@@H](C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000656200064 415635181 /nfs/dbraw/zinc/63/51/81/415635181.db2.gz IXGBQESELCTUNX-LSDHHAIUSA-N 1 3 261.413 2.219 10 0 CEAEHO CCCN1CCC(CN)([NH+](CC2CC2)CC2CC2)CC1 ZINC000070504624 175958630 /nfs/dbraw/zinc/95/86/30/175958630.db2.gz YBSWZHYEJPMYBR-UHFFFAOYSA-N 1 3 279.472 2.312 10 0 CEAEHO CO[C@H](CN[C@H](C)[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000665283061 415673945 /nfs/dbraw/zinc/67/39/45/415673945.db2.gz HAXBHGLRRXPVIA-BPLDGKMQSA-N 1 3 254.418 2.169 10 0 CEAEHO CC[C@@H]1CCC[C@](C[NH3+])(N(CCCOC)CCOC)C1 ZINC000071124067 176035131 /nfs/dbraw/zinc/03/51/31/176035131.db2.gz TUXQLLNNEBOSBD-CVEARBPZSA-N 1 3 286.460 2.269 10 0 CEAEHO CC[C@@H]1CCC[C@@](CN)([N@H+](C)[C@@H]2CCCN(C)C2)C1 ZINC000071124573 176035143 /nfs/dbraw/zinc/03/51/43/176035143.db2.gz QIHSMIDZQGRVHL-BZUAXINKSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@@H]1CCC[C@@](CN)([N@@H+](C)[C@@H]2CCCN(C)C2)C1 ZINC000071124573 176035144 /nfs/dbraw/zinc/03/51/44/176035144.db2.gz QIHSMIDZQGRVHL-BZUAXINKSA-N 1 3 267.461 2.310 10 0 CEAEHO CCC1CCC(CN)([N@H+](C)C[C@H]2CCN(C)C2)CC1 ZINC000071188563 176062539 /nfs/dbraw/zinc/06/25/39/176062539.db2.gz IEYPIJMLPHYKOZ-PCKAHOCUSA-N 1 3 267.461 2.168 10 0 CEAEHO CCC1CCC(CN)([N@@H+](C)C[C@H]2CCN(C)C2)CC1 ZINC000071188563 176062540 /nfs/dbraw/zinc/06/25/40/176062540.db2.gz IEYPIJMLPHYKOZ-PCKAHOCUSA-N 1 3 267.461 2.168 10 0 CEAEHO CN[C@@H](CC[N@H+](C)C[C@@H]1CCN(C)C1)c1ccc(F)cc1 ZINC000071191266 176069812 /nfs/dbraw/zinc/06/98/12/176069812.db2.gz INOHCUKSGJPTSG-PBHICJAKSA-N 1 3 293.430 2.360 10 0 CEAEHO CN[C@@H](CC[N@@H+](C)C[C@@H]1CCN(C)C1)c1ccc(F)cc1 ZINC000071191266 176069814 /nfs/dbraw/zinc/06/98/14/176069814.db2.gz INOHCUKSGJPTSG-PBHICJAKSA-N 1 3 293.430 2.360 10 0 CEAEHO CCNCc1c(C)cc(C)nc1N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071191643 176070031 /nfs/dbraw/zinc/07/00/31/176070031.db2.gz VUQGPMKBXRVUSZ-HNNXBMFYSA-N 1 3 290.455 2.196 10 0 CEAEHO CCNCc1c(C)cc(C)nc1N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071191643 176070032 /nfs/dbraw/zinc/07/00/32/176070032.db2.gz VUQGPMKBXRVUSZ-HNNXBMFYSA-N 1 3 290.455 2.196 10 0 CEAEHO CCNCc1oc(CN(C)C[C@H]2CC[N@H+](C)C2)cc1C ZINC000071192035 176072566 /nfs/dbraw/zinc/07/25/66/176072566.db2.gz MCAGSHZQMGKSKK-AWEZNQCLSA-N 1 3 279.428 2.081 10 0 CEAEHO CCNCc1oc(CN(C)C[C@H]2CC[N@@H+](C)C2)cc1C ZINC000071192035 176072567 /nfs/dbraw/zinc/07/25/67/176072567.db2.gz MCAGSHZQMGKSKK-AWEZNQCLSA-N 1 3 279.428 2.081 10 0 CEAEHO CN(C[C@@H]1CC[N@H+](C)C1)c1nc(C(C)(C)C)c(CN)s1 ZINC000071192593 176074823 /nfs/dbraw/zinc/07/48/23/176074823.db2.gz PFGUZSUEAURECF-LLVKDONJSA-N 1 3 296.484 2.287 10 0 CEAEHO CN(C[C@@H]1CC[N@@H+](C)C1)c1nc(C(C)(C)C)c(CN)s1 ZINC000071192593 176074824 /nfs/dbraw/zinc/07/48/24/176074824.db2.gz PFGUZSUEAURECF-LLVKDONJSA-N 1 3 296.484 2.287 10 0 CEAEHO CCC[NH+]1CCC([C@@H](C)NCc2ccnn2C)CC1 ZINC000071333317 176126137 /nfs/dbraw/zinc/12/61/37/176126137.db2.gz YQBOHWIDULSRQY-CYBMUJFWSA-N 1 3 264.417 2.020 10 0 CEAEHO c1ccc(COCCCC[NH2+]C2CCNCC2)cc1 ZINC000390568782 262220216 /nfs/dbraw/zinc/22/02/16/262220216.db2.gz ACYDWEFQZABWKI-UHFFFAOYSA-N 1 3 262.397 2.325 10 0 CEAEHO C[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000567343983 299054792 /nfs/dbraw/zinc/05/47/92/299054792.db2.gz MPPIYNGPLNFLSP-WOPDTQHZSA-N 1 3 253.415 2.224 10 0 CEAEHO CC(C)[C@@H](CN(C)C)[NH2+]CC[C@@H]1CCCCN1C ZINC000052205963 519793605 /nfs/dbraw/zinc/79/36/05/519793605.db2.gz RIQSVBVMTPUGLX-LSDHHAIUSA-N 1 3 255.450 2.037 10 0 CEAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCOC1 ZINC000054629103 519908945 /nfs/dbraw/zinc/90/89/45/519908945.db2.gz NLLHRGXZVVRGCV-HNSVSWJLSA-N 1 3 266.429 2.408 10 0 CEAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCOC1 ZINC000054629103 519908949 /nfs/dbraw/zinc/90/89/49/519908949.db2.gz NLLHRGXZVVRGCV-HNSVSWJLSA-N 1 3 266.429 2.408 10 0 CEAEHO CC[NH2+]CCC[C@H](C)N1CCN(C2CCCC2)CC1 ZINC000052573523 519919821 /nfs/dbraw/zinc/91/98/21/519919821.db2.gz VHCXBAURUFDMKJ-HNNXBMFYSA-N 1 3 267.461 2.325 10 0 CEAEHO CCO[C@H](C[NH3+])CCN(C)Cc1ccccc1F ZINC000062740900 520515934 /nfs/dbraw/zinc/51/59/34/520515934.db2.gz DNMWJEMPKSAJGT-ZDUSSCGKSA-N 1 3 254.349 2.011 10 0 CEAEHO CCOC1CCN(C[C@@H]2CCCC[C@@H]2[NH2+]C)CC1 ZINC000053858550 521655544 /nfs/dbraw/zinc/65/55/44/521655544.db2.gz VDUDDOFKPIQFHR-ZFWWWQNUSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@@H](C)C[NH2+]CC(C)C)CC1 ZINC000055074755 522121693 /nfs/dbraw/zinc/12/16/93/522121693.db2.gz YDGCGQWATZPIKL-JKSUJKDBSA-N 1 3 269.477 2.284 10 0 CEAEHO C[NH2+][C@H]1CCCCCC[C@@H]1N1CCC[C@@H]1CN(C)C ZINC000061643425 522491450 /nfs/dbraw/zinc/49/14/50/522491450.db2.gz RGUMEGHYCAHOFJ-PMPSAXMXSA-N 1 3 267.461 2.323 10 0 CEAEHO CC(C)(C)N1CCN(Cc2cc(F)ccc2C[NH3+])CC1 ZINC000069401314 518710461 /nfs/dbraw/zinc/71/04/61/518710461.db2.gz IINMZKWJHKQOCP-UHFFFAOYSA-N 1 3 279.403 2.201 10 0 CEAEHO CC(C)N1CCN(CCCC[NH2+]C(C)(C)C)CC1 ZINC000052479967 519681560 /nfs/dbraw/zinc/68/15/60/519681560.db2.gz NLUHYIWYABYRKS-UHFFFAOYSA-N 1 3 255.450 2.181 10 0 CEAEHO CC(C)N1CCN([C@@H](C)CC[NH2+]C(C)(C)C)CC1 ZINC000052480171 519682932 /nfs/dbraw/zinc/68/29/32/519682932.db2.gz HNBQPMDDYMJMDL-AWEZNQCLSA-N 1 3 255.450 2.179 10 0 CEAEHO CC(C)CN1CCN(CC[C@H]([NH3+])c2cccc(F)c2)CC1 ZINC000055082185 519726117 /nfs/dbraw/zinc/72/61/17/519726117.db2.gz IRYMQADAIYTJPM-KRWDZBQOSA-N 1 3 293.430 2.489 10 0 CEAEHO CC(C)CN1CCN(C[C@](C)([NH3+])c2ccccc2)CC1 ZINC000055083737 519726728 /nfs/dbraw/zinc/72/67/28/519726728.db2.gz UJOOBIIEOZBPES-KRWDZBQOSA-N 1 3 275.440 2.134 10 0 CEAEHO CC(C)CN1CCN([C@H](c2cccc(F)c2)[C@H](C)[NH3+])CC1 ZINC000055077459 519727785 /nfs/dbraw/zinc/72/77/85/519727785.db2.gz FDKDVAVUUFTICK-YOEHRIQHSA-N 1 3 293.430 2.488 10 0 CEAEHO CC(C)CN1CCN([C@H](C[NH3+])C2CCCCC2)CC1 ZINC000055078268 519727886 /nfs/dbraw/zinc/72/78/86/519727886.db2.gz KVTYBBMMKSGGRG-MRXNPFEDSA-N 1 3 267.461 2.168 10 0 CEAEHO CC(C)CN1CCN([C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000055079049 519727926 /nfs/dbraw/zinc/72/79/26/519727926.db2.gz JNDUQWXNCHKQIQ-NVXWUHKLSA-N 1 3 275.440 2.349 10 0 CEAEHO CC(C)CN1CCN([C@H]([C@@H](C)[NH3+])C(C)(C)C)CC1 ZINC000055077363 519727964 /nfs/dbraw/zinc/72/79/64/519727964.db2.gz VQRCSBSUJDJPHR-ZIAGYGMSSA-N 1 3 255.450 2.022 10 0 CEAEHO CC(C)CN1CCN([C@H](C[NH3+])c2c(F)cccc2F)CC1 ZINC000055078565 519728004 /nfs/dbraw/zinc/72/80/04/519728004.db2.gz ZYWMIKJLSUDAKR-OAHLLOKOSA-N 1 3 297.393 2.238 10 0 CEAEHO CC(C)C[NH2+]C[C@@H]1CC[C@H](CN(C)C[C@@H]2CCCCO2)O1 ZINC000052507661 519745328 /nfs/dbraw/zinc/74/53/28/519745328.db2.gz DJFNAIBBOZQNMP-YESZJQIVSA-N 1 3 298.471 2.281 10 0 CEAEHO CC(C)C[NH2+]C[C@H](C)CN(CCN(C)C)CC(C)C ZINC000052503304 519745669 /nfs/dbraw/zinc/74/56/69/519745669.db2.gz JGBNNJZLZYIAJZ-INIZCTEOSA-N 1 3 271.493 2.388 10 0 CEAEHO CC(C)[C@@H](CN(C)C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000049197488 519793609 /nfs/dbraw/zinc/79/36/09/519793609.db2.gz YMSBPTYCASRPDW-QGZVFWFLSA-N 1 3 290.455 2.226 10 0 CEAEHO CCCN1CCN(CCCCC[NH2+]CC(C)C)CC1 ZINC000052421998 519857267 /nfs/dbraw/zinc/85/72/67/519857267.db2.gz CIRDYMQUXBVQGP-UHFFFAOYSA-N 1 3 269.477 2.430 10 0 CEAEHO CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCCOC1 ZINC000054629103 519908941 /nfs/dbraw/zinc/90/89/41/519908941.db2.gz NLLHRGXZVVRGCV-HNSVSWJLSA-N 1 3 266.429 2.408 10 0 CEAEHO CCC[NH2+]CC1(CN2C[C@H]3CC[C@@H]2C3)CCOCC1 ZINC000052183016 519910756 /nfs/dbraw/zinc/91/07/56/519910756.db2.gz ZPTGNHDTCWARAM-LSDHHAIUSA-N 1 3 266.429 2.267 10 0 CEAEHO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)[C@@H]1CCCO1 ZINC000054628108 519911164 /nfs/dbraw/zinc/91/11/64/519911164.db2.gz NGKFLKSPHXWDGT-MNFFZHCASA-N 1 3 252.402 2.159 10 0 CEAEHO CC[NH2+]CCCCN1CCc2cc(OC)c(OC)cc2C1 ZINC000052417220 519919148 /nfs/dbraw/zinc/91/91/48/519919148.db2.gz CVVMFMJGBVOKNM-UHFFFAOYSA-N 1 3 292.423 2.452 10 0 CEAEHO CCC[NH2+]Cc1cccc(CN(C)CCOC)c1 ZINC000052572792 519954866 /nfs/dbraw/zinc/95/48/66/519954866.db2.gz OOKLLZGMPNFONA-UHFFFAOYSA-N 1 3 250.386 2.264 10 0 CEAEHO CC[NH2+]C[C@H](c1ccccc1)N1CCN(C(C)C)CC1 ZINC000052480156 519975157 /nfs/dbraw/zinc/97/51/57/519975157.db2.gz YOQYPFFJQBSKRC-QGZVFWFLSA-N 1 3 275.440 2.363 10 0 CEAEHO CCNCc1cc(COCCC[NH+](C)C)c(C)o1 ZINC000052672674 519991752 /nfs/dbraw/zinc/99/17/52/519991752.db2.gz GVDDLVDZJCOMAZ-UHFFFAOYSA-N 1 3 254.374 2.166 10 0 CEAEHO CC[NH2+]Cc1ccc(N2CCN([C@H](C)CC)CC2)nc1 ZINC000055073388 519998152 /nfs/dbraw/zinc/99/81/52/519998152.db2.gz NLPVUZVXXPEBKV-CQSZACIVSA-N 1 3 276.428 2.112 10 0 CEAEHO CC[NH2+]Cc1ccc(N2CCN([C@@H](C)CC)CC2)nc1 ZINC000055073392 519998216 /nfs/dbraw/zinc/99/82/16/519998216.db2.gz NLPVUZVXXPEBKV-AWEZNQCLSA-N 1 3 276.428 2.112 10 0 CEAEHO CC[NH+](CC)[C@H]1CCN([C@@H]2Cc3ccccc3[C@@H]2N)C1 ZINC000062978891 520874443 /nfs/dbraw/zinc/87/44/43/520874443.db2.gz JYPDJCCOELGORX-UAGQMJEPSA-N 1 3 273.424 2.027 10 0 CEAEHO CCC(CC)(CNC)C[N@@H+]1CCC[C@H]1CCCO ZINC000052763388 521439536 /nfs/dbraw/zinc/43/95/36/521439536.db2.gz KSLQULLVRDEPIO-AWEZNQCLSA-N 1 3 256.434 2.249 10 0 CEAEHO CCC(CC)(CNC)C[N@H+]1CCC[C@H]1CCCO ZINC000052763388 521439542 /nfs/dbraw/zinc/43/95/42/521439542.db2.gz KSLQULLVRDEPIO-AWEZNQCLSA-N 1 3 256.434 2.249 10 0 CEAEHO CCOC1CCN(C[C@@H]2CC[C@H](C[NH2+]CC(C)C)O2)CC1 ZINC000052484099 521655864 /nfs/dbraw/zinc/65/58/64/521655864.db2.gz SKUSPLCDQPEEAY-SJORKVTESA-N 1 3 298.471 2.281 10 0 CEAEHO C[NH2+]C[C@@H]1CCN(CCCN(C)c2ccccc2)C1 ZINC000053011978 522055421 /nfs/dbraw/zinc/05/54/21/522055421.db2.gz IJSLMBZXVLOVKO-HNNXBMFYSA-N 1 3 261.413 2.054 10 0 CEAEHO CC[C@@H](C)N1CCN(CCCCCCC[NH3+])CC1 ZINC000055083475 522118345 /nfs/dbraw/zinc/11/83/45/522118345.db2.gz GKQVBHPQHPUQQT-OAHLLOKOSA-N 1 3 255.450 2.312 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000055065460 522122501 /nfs/dbraw/zinc/12/25/01/522122501.db2.gz RHULKWJCLUWLLF-RHSMWYFYSA-N 1 3 291.439 2.111 10 0 CEAEHO CN1CCC([N@H+](C)[C@@H]2CCCCCC[C@@H]2N)CC1 ZINC000052684826 522414996 /nfs/dbraw/zinc/41/49/96/522414996.db2.gz BDFRGOAAHYFSJJ-LSDHHAIUSA-N 1 3 253.434 2.063 10 0 CEAEHO CN1CCC([N@@H+](C)[C@@H]2CCCCCC[C@@H]2N)CC1 ZINC000052684826 522415005 /nfs/dbraw/zinc/41/50/05/522415005.db2.gz BDFRGOAAHYFSJJ-LSDHHAIUSA-N 1 3 253.434 2.063 10 0 CEAEHO CC[C@@H](C[NH2+]CC(C)C)N(C)C1CCN(C)CC1 ZINC000052419790 522545177 /nfs/dbraw/zinc/54/51/77/522545177.db2.gz PTNYCMURMPTRGB-AWEZNQCLSA-N 1 3 255.450 2.037 10 0 CEAEHO COC[C@H](C)N(C)C1(C[NH3+])CCC(C(C)C)CC1 ZINC000054557117 522593331 /nfs/dbraw/zinc/59/33/31/522593331.db2.gz YNJSIYJJGYOIJD-NFOMZHRRSA-N 1 3 256.434 2.497 10 0 CEAEHO COC1CCN(CC2(C[NH2+]CC(C)C)CCOCC2)CC1 ZINC000052181524 522703133 /nfs/dbraw/zinc/70/31/33/522703133.db2.gz DVKUQONVINYROL-UHFFFAOYSA-N 1 3 298.471 2.140 10 0 CEAEHO COC(=O)C[C@@H]1CCCCN1Cc1cc(F)ccc1C[NH3+] ZINC000069401736 523285575 /nfs/dbraw/zinc/28/55/75/523285575.db2.gz HPMKCPZTHYFORT-HNNXBMFYSA-N 1 3 294.370 2.202 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000055064171 523957696 /nfs/dbraw/zinc/95/76/96/523957696.db2.gz ABWNVHQQXNHJNM-ARFHVFGLSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@H](C)[NH+]1CCN(c2ccc(Cl)c(CN)n2)CC1 ZINC000055073562 523960689 /nfs/dbraw/zinc/96/06/89/523960689.db2.gz PPAISBFWPPQEON-NSHDSACASA-N 1 3 282.819 2.114 10 0 CEAEHO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccnc(C(=N)N)c1 ZINC000068761621 524131374 /nfs/dbraw/zinc/13/13/74/524131374.db2.gz OJJPPJXEIFUEHY-RISCZKNCSA-N 1 3 260.385 2.376 10 0 CEAEHO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccnc(C(=N)N)c1 ZINC000068761621 524131378 /nfs/dbraw/zinc/13/13/78/524131378.db2.gz OJJPPJXEIFUEHY-RISCZKNCSA-N 1 3 260.385 2.376 10 0 CEAEHO C[C@@H]1CCC[C@@](C[NH3+])(N2CCN(CC3CC3)CC2)[C@@H]1C ZINC000068628177 524336219 /nfs/dbraw/zinc/33/62/19/524336219.db2.gz AYGCGLVDEONFFY-INMHGKMJSA-N 1 3 279.472 2.168 10 0 CEAEHO C[C@H]1C[N@H+](C2CCN(C)CC2)[C@H](c2ccccc2)CN1 ZINC000062667051 524574703 /nfs/dbraw/zinc/57/47/03/524574703.db2.gz ZWBYSLOBTZMJSU-YOEHRIQHSA-N 1 3 273.424 2.116 10 0 CEAEHO C[C@H]1C[N@@H+](C2CCN(C)CC2)[C@H](c2ccccc2)CN1 ZINC000062667051 524574713 /nfs/dbraw/zinc/57/47/13/524574713.db2.gz ZWBYSLOBTZMJSU-YOEHRIQHSA-N 1 3 273.424 2.116 10 0 CEAEHO Cc1ccc([C@H](N)CC[N@H+]2CCC[C@@H]2CN(C)C)cc1 ZINC000061653674 525960194 /nfs/dbraw/zinc/96/01/94/525960194.db2.gz FCKJNTKUPXYKJC-IAGOWNOFSA-N 1 3 275.440 2.411 10 0 CEAEHO Cc1ccc([C@H](N)CC[N@@H+]2CCC[C@@H]2CN(C)C)cc1 ZINC000061653674 525960208 /nfs/dbraw/zinc/96/02/08/525960208.db2.gz FCKJNTKUPXYKJC-IAGOWNOFSA-N 1 3 275.440 2.411 10 0 CEAEHO c1cc(CN2CCSCC2)ccc1C[NH2+]C1CC1 ZINC000052443268 526425349 /nfs/dbraw/zinc/42/53/49/526425349.db2.gz XMRWVHDJVAPQKY-UHFFFAOYSA-N 1 3 262.422 2.487 10 0 CEAEHO Cc1oc(CN2CCN(C3CCCC3)CC2)cc1C[NH3+] ZINC000052573498 526771574 /nfs/dbraw/zinc/77/15/74/526771574.db2.gz LTQHMNQNYRGFCJ-UHFFFAOYSA-N 1 3 277.412 2.107 10 0 CEAEHO Cc1oc(CN2CCCN(C)CC2)cc1C[NH2+]C(C)C ZINC000052424185 526772327 /nfs/dbraw/zinc/77/23/27/526772327.db2.gz WEXQYUJYTBXOGU-UHFFFAOYSA-N 1 3 279.428 2.224 10 0 CEAEHO Cc1nc(N2CCC[C@H]2C[NH+](C)C)sc1[C@@H](C)N ZINC000061655474 526966059 /nfs/dbraw/zinc/96/60/59/526966059.db2.gz OOLWNUYCXRKNGX-KOLCDFICSA-N 1 3 268.430 2.002 10 0 CEAEHO [NH3+]Cc1cnc(N2CC[C@H](N3CCCCC3)C2)c(Cl)c1 ZINC000062971483 527264071 /nfs/dbraw/zinc/26/40/71/527264071.db2.gz AWHVICHKVWOJGZ-ZDUSSCGKSA-N 1 3 294.830 2.258 10 0 CEAEHO CC(C)CN1CCC2(CC1)[NH2+]C[C@H](C1CC1)CO2 ZINC000757153618 574511120 /nfs/dbraw/zinc/51/11/20/574511120.db2.gz YHBUVGDXXDPCQK-AWEZNQCLSA-N 1 3 252.402 2.081 10 0 CEAEHO Cc1ccccc1OCCN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000311831381 627702934 /nfs/dbraw/zinc/70/29/34/627702934.db2.gz PDHODLBDSJMHMH-ZNMIVQPWSA-N 1 3 260.381 2.043 10 0 CEAEHO Cc1nn(C)c(C)c1CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261628919 628952543 /nfs/dbraw/zinc/95/25/43/628952543.db2.gz FEMLKCQLKCXTLA-AEFFLSMTSA-N 1 3 298.434 2.211 10 0 CEAEHO CC[C@@H](C)[C@@H](N)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000237004870 629148473 /nfs/dbraw/zinc/14/84/73/629148473.db2.gz BVKLIALFLPULFP-IAQYHMDHSA-N 1 3 277.412 2.369 10 0 CEAEHO C[NH+](C)C[C@@H]1OC[C@@H]2CN(Cc3ccc(F)cc3)CC[C@H]12 ZINC000503717829 230429244 /nfs/dbraw/zinc/42/92/44/230429244.db2.gz PMMKSRXZXJDXCO-XIRDDKMYSA-N 1 3 292.398 2.224 10 0 CEAEHO O[C@H]1CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000336481067 365583740 /nfs/dbraw/zinc/58/37/40/365583740.db2.gz JGJVFUXVWMPDFA-SAZUREKKSA-N 1 3 266.429 2.287 10 0 CEAEHO CC[NH2+][C@@](C)(CO)CCCN1Cc2ccccc2C1 ZINC000085210859 178973863 /nfs/dbraw/zinc/97/38/63/178973863.db2.gz ZHQHUJSEGCYEGF-MRXNPFEDSA-N 1 3 262.397 2.143 10 0 CEAEHO CCC[C@H]1CN[C@@H](CC)C[N@@H+]1CCn1ccnc1C ZINC000085472664 179077160 /nfs/dbraw/zinc/07/71/60/179077160.db2.gz ZZKZQVDRYQARBI-GJZGRUSLSA-N 1 3 264.417 2.044 10 0 CEAEHO CCC[C@H]1CN[C@@H](CC)C[N@H+]1CCn1ccnc1C ZINC000085472664 179077163 /nfs/dbraw/zinc/07/71/63/179077163.db2.gz ZZKZQVDRYQARBI-GJZGRUSLSA-N 1 3 264.417 2.044 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@H+](C2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086153956 179241472 /nfs/dbraw/zinc/24/14/72/179241472.db2.gz WBIJVSRNDJOKFP-XIRDDKMYSA-N 1 3 281.488 2.425 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@@H+](C2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086153956 179241474 /nfs/dbraw/zinc/24/14/74/179241474.db2.gz WBIJVSRNDJOKFP-XIRDDKMYSA-N 1 3 281.488 2.425 10 0 CEAEHO CC[N@@H+]1CC[C@@H](CN2C[C@H](c3ccccc3)NC[C@@H]2C)C1 ZINC000086222999 179251175 /nfs/dbraw/zinc/25/11/75/179251175.db2.gz DOKCNJDIGNYMKW-LZLYRXPVSA-N 1 3 287.451 2.363 10 0 CEAEHO CC[N@H+]1CC[C@@H](CN2C[C@H](c3ccccc3)NC[C@@H]2C)C1 ZINC000086222999 179251177 /nfs/dbraw/zinc/25/11/77/179251177.db2.gz DOKCNJDIGNYMKW-LZLYRXPVSA-N 1 3 287.451 2.363 10 0 CEAEHO CC[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1[C@@H]1CCCN(CC)C1 ZINC000086225381 179253013 /nfs/dbraw/zinc/25/30/13/179253013.db2.gz RAQJKXGKLWTJRC-BBWFWOEESA-N 1 3 279.472 2.323 10 0 CEAEHO CC[C@H]1CN[C@](C)(C2CC2)C[N@H+]1[C@@H]1CCCN(CC)C1 ZINC000086225381 179253014 /nfs/dbraw/zinc/25/30/14/179253014.db2.gz RAQJKXGKLWTJRC-BBWFWOEESA-N 1 3 279.472 2.323 10 0 CEAEHO CCCN1CCC([N@@H+]2CC(C)(C)NC[C@H]2CC)CC1 ZINC000086227327 179254134 /nfs/dbraw/zinc/25/41/34/179254134.db2.gz JRYLPLAKOCKINF-CQSZACIVSA-N 1 3 267.461 2.323 10 0 CEAEHO CCCN1CCC([N@H+]2CC(C)(C)NC[C@H]2CC)CC1 ZINC000086227327 179254137 /nfs/dbraw/zinc/25/41/37/179254137.db2.gz JRYLPLAKOCKINF-CQSZACIVSA-N 1 3 267.461 2.323 10 0 CEAEHO CC(C)[C@@H]1CN[C@H](C2CC2)C[N@@H+]1C[C@@H]1CCCCN1C ZINC000086259321 179258127 /nfs/dbraw/zinc/25/81/27/179258127.db2.gz QRDHGLOZGBZUOS-ULQDDVLXSA-N 1 3 279.472 2.179 10 0 CEAEHO CC(C)[C@@H]1CN[C@H](C2CC2)C[N@H+]1C[C@@H]1CCCCN1C ZINC000086259321 179258128 /nfs/dbraw/zinc/25/81/28/179258128.db2.gz QRDHGLOZGBZUOS-ULQDDVLXSA-N 1 3 279.472 2.179 10 0 CEAEHO C[C@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CCCCN1C ZINC000086259358 179258332 /nfs/dbraw/zinc/25/83/32/179258332.db2.gz FNJLZPVCPZPIQI-GJZGRUSLSA-N 1 3 265.445 2.077 10 0 CEAEHO CN1CCC([N@@H+]2CCCNC3(CCCCC3)C2)CC1 ZINC000086286972 179264591 /nfs/dbraw/zinc/26/45/91/179264591.db2.gz SGRGPIBLEROGFL-UHFFFAOYSA-N 1 3 265.445 2.079 10 0 CEAEHO CN1CCC([N@H+]2CCCNC3(CCCCC3)C2)CC1 ZINC000086286972 179264593 /nfs/dbraw/zinc/26/45/93/179264593.db2.gz SGRGPIBLEROGFL-UHFFFAOYSA-N 1 3 265.445 2.079 10 0 CEAEHO CC(C)C[C@@H]1CN(C[C@@H]2CCCCN2C)CCC[NH2+]1 ZINC000086291671 179266406 /nfs/dbraw/zinc/26/64/06/179266406.db2.gz FCVJYIHWMMXMEM-CVEARBPZSA-N 1 3 267.461 2.181 10 0 CEAEHO CN1CCCC[C@H]1C[N@@H+]1CCCN[C@H](C(C)(C)C)C1 ZINC000086291705 179266621 /nfs/dbraw/zinc/26/66/21/179266621.db2.gz RBIKWVHGKAXETO-GJZGRUSLSA-N 1 3 267.461 2.181 10 0 CEAEHO CN1CCCC[C@H]1C[N@H+]1CCCN[C@H](C(C)(C)C)C1 ZINC000086291705 179266623 /nfs/dbraw/zinc/26/66/23/179266623.db2.gz RBIKWVHGKAXETO-GJZGRUSLSA-N 1 3 267.461 2.181 10 0 CEAEHO CN1CCCC[C@H]1CN1CCC[NH2+][C@H](C(C)(C)C)C1 ZINC000086291705 179266625 /nfs/dbraw/zinc/26/66/25/179266625.db2.gz RBIKWVHGKAXETO-GJZGRUSLSA-N 1 3 267.461 2.181 10 0 CEAEHO CC(C)CN1CCN(c2nc3c(s2)CCC[C@@H]3[NH3+])CC1 ZINC000086443967 179293753 /nfs/dbraw/zinc/29/37/53/179293753.db2.gz RWVJCGAVMVLVQM-LBPRGKRZSA-N 1 3 294.468 2.257 10 0 CEAEHO C[C@H]1CCC[C@]1(C[NH3+])N1CCN(C2CCCC2)CC1 ZINC000086677106 179319452 /nfs/dbraw/zinc/31/94/52/179319452.db2.gz XCGIHNXESYOSDT-GOEBONIOSA-N 1 3 265.445 2.064 10 0 CEAEHO CCCN1CCC[C@@H]([NH2+]C2CCC(O)CC2)CC1 ZINC000086835481 179349677 /nfs/dbraw/zinc/34/96/77/179349677.db2.gz OSMAPIUUFDZKTO-WLYUNCDWSA-N 1 3 254.418 2.144 10 0 CEAEHO C[C@H](N[C@@H]1CCC[N@H+](C)CC1)c1ccc(NC(N)=O)cc1 ZINC000086818559 179347104 /nfs/dbraw/zinc/34/71/04/179347104.db2.gz JMAAWMPIOYBSJO-GXTWGEPZSA-N 1 3 290.411 2.312 10 0 CEAEHO C[C@H](N[C@@H]1CCC[N@@H+](C)CC1)c1ccc(NC(N)=O)cc1 ZINC000086818559 179347108 /nfs/dbraw/zinc/34/71/08/179347108.db2.gz JMAAWMPIOYBSJO-GXTWGEPZSA-N 1 3 290.411 2.312 10 0 CEAEHO CCN1CCC[C@](CN)([N@H+](C)CCC(C)C)CC1 ZINC000086847657 179356183 /nfs/dbraw/zinc/35/61/83/179356183.db2.gz GLPKTWSPBVSRMJ-HNNXBMFYSA-N 1 3 255.450 2.168 10 0 CEAEHO CCN1CCC[C@](CN)([N@@H+](C)CCC(C)C)CC1 ZINC000086847657 179356185 /nfs/dbraw/zinc/35/61/85/179356185.db2.gz GLPKTWSPBVSRMJ-HNNXBMFYSA-N 1 3 255.450 2.168 10 0 CEAEHO CCCN1CCC([NH2+][C@H]2CCCN(CC)CC2)CC1 ZINC000086836816 179351830 /nfs/dbraw/zinc/35/18/30/179351830.db2.gz QDOAMDAWERVTIW-HNNXBMFYSA-N 1 3 267.461 2.325 10 0 CEAEHO CCCN1CCC[C@H]([NH2+]C2CCN(CC)CC2)CC1 ZINC000086842257 179353667 /nfs/dbraw/zinc/35/36/67/179353667.db2.gz SJAKQFLXSMEDLD-HNNXBMFYSA-N 1 3 267.461 2.325 10 0 CEAEHO CCC[N@@H+]1CCC[C@H](NCCN2CCCCC2)CC1 ZINC000086843123 179353799 /nfs/dbraw/zinc/35/37/99/179353799.db2.gz LVIGMCHZKATPPX-INIZCTEOSA-N 1 3 267.461 2.326 10 0 CEAEHO CCC[N@H+]1CCC[C@H](NCCN2CCCCC2)CC1 ZINC000086843123 179353801 /nfs/dbraw/zinc/35/38/01/179353801.db2.gz LVIGMCHZKATPPX-INIZCTEOSA-N 1 3 267.461 2.326 10 0 CEAEHO COCCN(C1CC1)[C@@]1(C[NH3+])CCC[C@@H](C)CC1 ZINC000086891075 179366017 /nfs/dbraw/zinc/36/60/17/179366017.db2.gz JSEJGLDQLUYMCY-HIFRSBDPSA-N 1 3 254.418 2.395 10 0 CEAEHO CN(CCC[NH2+][C@@H]1CCCNCC1)c1ccccc1 ZINC000128845452 187394466 /nfs/dbraw/zinc/39/44/66/187394466.db2.gz PJVJTUGMAJFDGA-OAHLLOKOSA-N 1 3 261.413 2.245 10 0 CEAEHO CN(CCCN[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000128845452 187394468 /nfs/dbraw/zinc/39/44/68/187394468.db2.gz PJVJTUGMAJFDGA-OAHLLOKOSA-N 1 3 261.413 2.245 10 0 CEAEHO CCN(CC)CCN[C@@H](C[NH3+])c1ccc(SC)cc1 ZINC000087912755 179520403 /nfs/dbraw/zinc/52/04/03/179520403.db2.gz GGWKXRDSTASBBY-HNNXBMFYSA-N 1 3 281.469 2.340 10 0 CEAEHO Cc1cc(F)ccc1CCN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400335279 233176248 /nfs/dbraw/zinc/17/62/48/233176248.db2.gz DARCQEMPPFRNIQ-TZMCWYRMSA-N 1 3 250.361 2.264 10 0 CEAEHO C[C@@H](NCCc1cccc2cccnc21)[C@H]1CC[NH2+]C1 ZINC000400331542 233176324 /nfs/dbraw/zinc/17/63/24/233176324.db2.gz BZYXDPXNTBCDDZ-CJNGLKHVSA-N 1 3 269.392 2.365 10 0 CEAEHO Cc1csc([C@H](C)NC[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000089483536 179801402 /nfs/dbraw/zinc/80/14/02/179801402.db2.gz HJZBJXGMXDZTQC-TUAOUCFPSA-N 1 3 253.415 2.477 10 0 CEAEHO CCCN[C@H]1COC[C@H]1C[NH2+]Cc1ccc(C)s1 ZINC000090566745 180006241 /nfs/dbraw/zinc/00/62/41/180006241.db2.gz PETLMKQMJORPTI-OCCSQVGLSA-N 1 3 268.426 2.161 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[NH2+]C1(C)CCCCC1 ZINC000090566664 180006284 /nfs/dbraw/zinc/00/62/84/180006284.db2.gz MSOYEZYYJSNWCO-ZIAGYGMSSA-N 1 3 254.418 2.313 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[NH2+]Cc1ccc(C)s1 ZINC000090566744 180006563 /nfs/dbraw/zinc/00/65/63/180006563.db2.gz PETLMKQMJORPTI-TZMCWYRMSA-N 1 3 268.426 2.161 10 0 CEAEHO CC(C)N(CCC[NH3+])C[C@H]1Cc2cc(F)ccc2O1 ZINC000090879151 180052977 /nfs/dbraw/zinc/05/29/77/180052977.db2.gz DDXBHFKXUXFSQP-CQSZACIVSA-N 1 3 266.360 2.188 10 0 CEAEHO [NH3+]CC1CCN(C[C@@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000090900064 180058851 /nfs/dbraw/zinc/05/88/51/180058851.db2.gz VMJJWWONDWUZJW-AWEZNQCLSA-N 1 3 280.799 2.314 10 0 CEAEHO CC(C)n1cncc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000091273006 180117646 /nfs/dbraw/zinc/11/76/46/180117646.db2.gz JNCBCRKGKDKMCS-MRXNPFEDSA-N 1 3 276.428 2.428 10 0 CEAEHO CC(C)[NH2+]CC[C@](C)(O)[C@H]1NCCc2ccccc21 ZINC000091467970 180164208 /nfs/dbraw/zinc/16/42/08/180164208.db2.gz FQIGHIILSXUQNU-HOTGVXAUSA-N 1 3 262.397 2.013 10 0 CEAEHO COc1ccccc1CN1CCC(C[NH3+])(SC)CC1 ZINC000091470816 180164959 /nfs/dbraw/zinc/16/49/59/180164959.db2.gz VHEGQDKSDXNCPF-UHFFFAOYSA-N 1 3 280.437 2.352 10 0 CEAEHO C[C@H]([C@@H](N)c1ccccc1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091393129 180145379 /nfs/dbraw/zinc/14/53/79/180145379.db2.gz BQTRMKFDPQVPKI-VNQPRFMTSA-N 1 3 261.413 2.101 10 0 CEAEHO CCc1ccc([C@@H](N)CN2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091393934 180145467 /nfs/dbraw/zinc/14/54/67/180145467.db2.gz MXASCUYCAFSSBH-IRXDYDNUSA-N 1 3 275.440 2.275 10 0 CEAEHO CCCN(CC[NH+](C)C)c1cncc(CNCC(C)C)n1 ZINC000091420447 180150811 /nfs/dbraw/zinc/15/08/11/180150811.db2.gz BVMKJXBLSVMTKQ-UHFFFAOYSA-N 1 3 293.459 2.000 10 0 CEAEHO CC(C)([C@H](O)Cc1cnccc1N)[NH+]1CCCCCC1 ZINC000091567570 180194895 /nfs/dbraw/zinc/19/48/95/180194895.db2.gz UOKBFMOEDMYCQI-OAHLLOKOSA-N 1 3 277.412 2.222 10 0 CEAEHO CC[C@@](C)([C@@H](O)Cc1cnccc1N)[NH+]1CCCCC1 ZINC000091608559 180205205 /nfs/dbraw/zinc/20/52/05/180205205.db2.gz CGTKBMWBUZIQIS-HOTGVXAUSA-N 1 3 277.412 2.222 10 0 CEAEHO CC(C)C[NH2+]CC[C@@](C)(O)[C@@H]1NCc2ccccc21 ZINC000091521037 180178061 /nfs/dbraw/zinc/17/80/61/180178061.db2.gz GHIQCMGRJCZTQF-HZPDHXFCSA-N 1 3 262.397 2.218 10 0 CEAEHO CCn1nc(C)cc1C[C@H]([NH3+])C1(N2CCCC2)CCCC1 ZINC000091640674 180213254 /nfs/dbraw/zinc/21/32/54/180213254.db2.gz YWOFSMPAFXZTDR-INIZCTEOSA-N 1 3 290.455 2.490 10 0 CEAEHO C[NH2+][C@@H](Cc1cnccc1N)C1(N2CCCC2)CCCC1 ZINC000091640885 180213481 /nfs/dbraw/zinc/21/34/81/180213481.db2.gz BZWKMKFRACBTTQ-INIZCTEOSA-N 1 3 288.439 2.203 10 0 CEAEHO CC[NH2+][C@H](Cc1cnccc1N)C1(N(C)C)CCCCC1 ZINC000091647773 180215300 /nfs/dbraw/zinc/21/53/00/180215300.db2.gz KINFUBMSOLUHJY-MRXNPFEDSA-N 1 3 290.455 2.449 10 0 CEAEHO CC[C@H]1CCCCN1C(=O)CN(CC)C1CCC([NH3+])CC1 ZINC000091850806 180272245 /nfs/dbraw/zinc/27/22/45/180272245.db2.gz OLBGJQWELQKOJS-PCKAHOCUSA-N 1 3 295.471 2.369 10 0 CEAEHO CCC[NH2+]C1CCC(N(C)[C@H](C)C(=O)N(CC)CC)CC1 ZINC000091870123 180276970 /nfs/dbraw/zinc/27/69/70/180276970.db2.gz QDDINPRPUFAQDD-QQFBHYJXSA-N 1 3 297.487 2.486 10 0 CEAEHO C[C@@H](CNC[C@H]1COc2ccccc21)C[NH+]1CCCC1 ZINC000092300896 180358420 /nfs/dbraw/zinc/35/84/20/180358420.db2.gz WFOOHCSVNCRPHA-GJZGRUSLSA-N 1 3 274.408 2.484 10 0 CEAEHO C[C@@H](C[NH2+]C[C@H]1COc2ccccc21)CN1CCCC1 ZINC000092300896 180358421 /nfs/dbraw/zinc/35/84/21/180358421.db2.gz WFOOHCSVNCRPHA-GJZGRUSLSA-N 1 3 274.408 2.484 10 0 CEAEHO C[C@@H]1CC[C@@H](CN)C[N@@H+]1C[C@@H]1COc2ccccc21 ZINC000092302585 180359598 /nfs/dbraw/zinc/35/95/98/180359598.db2.gz XTYRNXDYCSAFDK-HZSPNIEDSA-N 1 3 260.381 2.222 10 0 CEAEHO C[C@@H]1CC[C@@H](CN)C[N@H+]1C[C@@H]1COc2ccccc21 ZINC000092302585 180359599 /nfs/dbraw/zinc/35/95/99/180359599.db2.gz XTYRNXDYCSAFDK-HZSPNIEDSA-N 1 3 260.381 2.222 10 0 CEAEHO CC(C)CN(CCC(N)=[NH2+])C[C@@H]1COc2ccccc21 ZINC000092302327 180359737 /nfs/dbraw/zinc/35/97/37/180359737.db2.gz PGRUJVUPMBKNJE-CYBMUJFWSA-N 1 3 275.396 2.447 10 0 CEAEHO CCc1nc(CCN(CC)CC)nc(CC)c1CC[NH2+]C ZINC000092318442 180361661 /nfs/dbraw/zinc/36/16/61/180361661.db2.gz WDFLWBCIVNWTTN-UHFFFAOYSA-N 1 3 292.471 2.248 10 0 CEAEHO CCNc1cc[nH+]c(CN2CCN(CC(C)C)CC2)c1 ZINC000092419013 180382047 /nfs/dbraw/zinc/38/20/47/180382047.db2.gz XXWDVXYCWGACHB-UHFFFAOYSA-N 1 3 276.428 2.287 10 0 CEAEHO CCNc1ccnc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000092419482 180382622 /nfs/dbraw/zinc/38/26/22/180382622.db2.gz NDUCNQHIXLRBFS-CVEARBPZSA-N 1 3 274.412 2.182 10 0 CEAEHO CCNc1ccnc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000092419482 180382625 /nfs/dbraw/zinc/38/26/25/180382625.db2.gz NDUCNQHIXLRBFS-CVEARBPZSA-N 1 3 274.412 2.182 10 0 CEAEHO Cc1cc(C)c(CN2CCN([C@H](C)C[NH3+])CC2)c(C)c1 ZINC000109458402 186254526 /nfs/dbraw/zinc/25/45/26/186254526.db2.gz PEBHVWKSBWHRAC-MRXNPFEDSA-N 1 3 275.440 2.077 10 0 CEAEHO CC(C)CC[C@](C)(C[NH3+])N1CCN(C)C(C)(C)C1 ZINC000110711976 186315463 /nfs/dbraw/zinc/31/54/63/186315463.db2.gz WQQLLVVPASEGCT-OAHLLOKOSA-N 1 3 255.450 2.166 10 0 CEAEHO CC[C@H]1CN(C2(C[NH3+])CCCCCCC2)CCN1C ZINC000110710827 186316020 /nfs/dbraw/zinc/31/60/20/186316020.db2.gz KHYAWJSDIKJCRK-HNNXBMFYSA-N 1 3 267.461 2.454 10 0 CEAEHO CC[C@H]1C[N@@H+](C2(CN)CCCCCCC2)CCN1C ZINC000110710827 186316022 /nfs/dbraw/zinc/31/60/22/186316022.db2.gz KHYAWJSDIKJCRK-HNNXBMFYSA-N 1 3 267.461 2.454 10 0 CEAEHO CC[C@H]1C[N@H+](C2(CN)CCCCCCC2)CCN1C ZINC000110710827 186316024 /nfs/dbraw/zinc/31/60/24/186316024.db2.gz KHYAWJSDIKJCRK-HNNXBMFYSA-N 1 3 267.461 2.454 10 0 CEAEHO CC[C@@H]1CN([C@@H]2CCc3ccccc3[C@@H]2[NH2+]C)CCN1C ZINC000110715781 186316251 /nfs/dbraw/zinc/31/62/51/186316251.db2.gz XPKYFOBHMHZREP-NXHRZFHOSA-N 1 3 287.451 2.288 10 0 CEAEHO CN1CCN([C@@H](CC(N)=[NH2+])c2ccccc2)CC1(C)C ZINC000110722424 186317998 /nfs/dbraw/zinc/31/79/98/186317998.db2.gz DZAUBQPZCJPLQK-AWEZNQCLSA-N 1 3 274.412 2.080 10 0 CEAEHO Cc1oc(CN(C)CCN(C)C)cc1C[NH2+]C(C)C ZINC000111149818 186360589 /nfs/dbraw/zinc/36/05/89/186360589.db2.gz YMIYKNAYQYAWPK-UHFFFAOYSA-N 1 3 267.417 2.079 10 0 CEAEHO C[C@@H]1CC[C@@H](CN)[C@H]([N@H+](C)CC2CCOCC2)C1 ZINC000111157495 186361778 /nfs/dbraw/zinc/36/17/78/186361778.db2.gz KRZBTKLBNJQNDQ-VHDGCEQUSA-N 1 3 254.418 2.108 10 0 CEAEHO C[C@@H]1CC[C@@H](CN)[C@H]([N@@H+](C)CC2CCOCC2)C1 ZINC000111157495 186361780 /nfs/dbraw/zinc/36/17/80/186361780.db2.gz KRZBTKLBNJQNDQ-VHDGCEQUSA-N 1 3 254.418 2.108 10 0 CEAEHO CC[C@@H](C)C[C@](CC)(CN)[N@H+](C)CCCN(C)C ZINC000111133865 186355898 /nfs/dbraw/zinc/35/58/98/186355898.db2.gz GGVMGNGDTXBJNP-HUUCEWRRSA-N 1 3 257.466 2.414 10 0 CEAEHO CC[C@@H](C)C[C@](CC)(CN)[N@@H+](C)CCCN(C)C ZINC000111133865 186355900 /nfs/dbraw/zinc/35/59/00/186355900.db2.gz GGVMGNGDTXBJNP-HUUCEWRRSA-N 1 3 257.466 2.414 10 0 CEAEHO CC[C@@H]([NH3+])[C@@H](c1cccc(C)c1)N(C)CCN(C)C ZINC000111129635 186356230 /nfs/dbraw/zinc/35/62/30/186356230.db2.gz CVAQNIWYKYUNPK-HZPDHXFCSA-N 1 3 263.429 2.267 10 0 CEAEHO CC[NH2+][C@@H](CN(C)CCN(C)C)c1ccc(C)cc1C ZINC000111134605 186357028 /nfs/dbraw/zinc/35/70/28/186357028.db2.gz QATSWPXJJKWZRG-KRWDZBQOSA-N 1 3 277.456 2.447 10 0 CEAEHO CN(C[C@@H]1CCCOC1)C[C@@]1(C[NH2+]C(C)(C)C)CCOC1 ZINC000111172167 186365830 /nfs/dbraw/zinc/36/58/30/186365830.db2.gz PXZKBOADNOZMEH-RDJZCZTQSA-N 1 3 298.471 2.140 10 0 CEAEHO CCOC1CC[NH+](C[C@]2(CNC3CC3)CCCOC2)CC1 ZINC000111326106 186398675 /nfs/dbraw/zinc/39/86/75/186398675.db2.gz XYGWORYEEQLBHI-QGZVFWFLSA-N 1 3 296.455 2.036 10 0 CEAEHO CC[N@H+](C[C@@]1(CNC2CC2)CCCOC1)C(C)C ZINC000111324780 186399038 /nfs/dbraw/zinc/39/90/38/186399038.db2.gz QQERPWURCPDVMY-HNNXBMFYSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[N@@H+](C[C@@]1(CNC2CC2)CCCOC1)C(C)C ZINC000111324780 186399039 /nfs/dbraw/zinc/39/90/39/186399039.db2.gz QQERPWURCPDVMY-HNNXBMFYSA-N 1 3 254.418 2.266 10 0 CEAEHO CCN(C[C@@]1(C[NH2+]C2CC2)CCCOC1)C(C)C ZINC000111324780 186399040 /nfs/dbraw/zinc/39/90/40/186399040.db2.gz QQERPWURCPDVMY-HNNXBMFYSA-N 1 3 254.418 2.266 10 0 CEAEHO CNC[C@]1(C[NH+]2CCCCCCC2)CCCOC1 ZINC000111324477 186399234 /nfs/dbraw/zinc/39/92/34/186399234.db2.gz CAVUKCVQASQPKF-HNNXBMFYSA-N 1 3 254.418 2.269 10 0 CEAEHO CNC[C@]1(C[NH+]2CCC(C)(C)CC2)CCCOC1 ZINC000111329055 186399711 /nfs/dbraw/zinc/39/97/11/186399711.db2.gz JLUFRRRUXUPECJ-HNNXBMFYSA-N 1 3 254.418 2.125 10 0 CEAEHO C[NH2+]C[C@]1(CN2CCC(C)(C)CC2)CCCOC1 ZINC000111329055 186399712 /nfs/dbraw/zinc/39/97/12/186399712.db2.gz JLUFRRRUXUPECJ-HNNXBMFYSA-N 1 3 254.418 2.125 10 0 CEAEHO CC[C@@H]1CN([C@@H](C[NH3+])c2ccccc2C)CCN1C ZINC000111237354 186373575 /nfs/dbraw/zinc/37/35/75/186373575.db2.gz ZNVDKBYNSNNWRB-ZBFHGGJFSA-N 1 3 261.413 2.021 10 0 CEAEHO CCC[N@H+](CC)C[C@@H](O)c1ccc2c(c1)CNCC2 ZINC000675059218 540079440 /nfs/dbraw/zinc/07/94/40/540079440.db2.gz MEKLRAFCKAIIHF-MRXNPFEDSA-N 1 3 262.397 2.098 10 0 CEAEHO CCC[N@@H+](CC)C[C@@H](O)c1ccc2c(c1)CNCC2 ZINC000675059218 540079443 /nfs/dbraw/zinc/07/94/43/540079443.db2.gz MEKLRAFCKAIIHF-MRXNPFEDSA-N 1 3 262.397 2.098 10 0 CEAEHO C[C@@H]1CN(CCSc2ccccc2)C[C@@H]1C[NH3+] ZINC000631840212 367581134 /nfs/dbraw/zinc/58/11/34/367581134.db2.gz ASJAQVGCMHGQES-OLZOCXBDSA-N 1 3 250.411 2.305 10 0 CEAEHO C[C@@H]1CN(Cc2cccc3cccnc32)C[C@@H]1C[NH3+] ZINC000631841223 367583520 /nfs/dbraw/zinc/58/35/20/367583520.db2.gz ZVQNJLZWQDDZII-DOMZBBRYSA-N 1 3 255.365 2.261 10 0 CEAEHO C[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@@H]1CN ZINC000631841223 367583528 /nfs/dbraw/zinc/58/35/28/367583528.db2.gz ZVQNJLZWQDDZII-DOMZBBRYSA-N 1 3 255.365 2.261 10 0 CEAEHO C[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@@H]1CN ZINC000631841223 367583534 /nfs/dbraw/zinc/58/35/34/367583534.db2.gz ZVQNJLZWQDDZII-DOMZBBRYSA-N 1 3 255.365 2.261 10 0 CEAEHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]CC(C)(C)O ZINC000634576584 368725899 /nfs/dbraw/zinc/72/58/99/368725899.db2.gz VIDMNOYCLXHQAW-HOCLYGCPSA-N 1 3 276.424 2.115 10 0 CEAEHO CN(Cc1ccc(-n2cccn2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000231453839 370479304 /nfs/dbraw/zinc/47/93/04/370479304.db2.gz ZKOLCYYIDAENNV-INIZCTEOSA-N 1 3 284.407 2.446 10 0 CEAEHO C[C@H]1CCN(C2CCN(Cc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000251636454 371409799 /nfs/dbraw/zinc/40/97/99/371409799.db2.gz ITENVVWXTWJWCX-MAUKXSAKSA-N 1 3 287.451 2.320 10 0 CEAEHO C[C@H](C[NH2+]C1CCNCC1)COCc1ccccc1 ZINC000389931497 375309450 /nfs/dbraw/zinc/30/94/50/375309450.db2.gz DXYCSHJAVSJQDN-CQSZACIVSA-N 1 3 262.397 2.181 10 0 CEAEHO FC(F)(F)CSCCN[C@@H]1CCC[NH2+]CC1 ZINC000423017866 376933858 /nfs/dbraw/zinc/93/38/58/376933858.db2.gz PRFHYKYGWDYLOP-SECBINFHSA-N 1 3 256.337 2.014 10 0 CEAEHO C[C@@H](NCCSCC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000564825542 377466520 /nfs/dbraw/zinc/46/65/20/377466520.db2.gz OQVWLLBBINBHIF-ZJUUUORDSA-N 1 3 270.364 2.260 10 0 CEAEHO C[C@@H]([NH2+]CCSCC(F)(F)F)[C@H]1CCCNC1 ZINC000564825542 377466527 /nfs/dbraw/zinc/46/65/27/377466527.db2.gz OQVWLLBBINBHIF-ZJUUUORDSA-N 1 3 270.364 2.260 10 0 CEAEHO C[NH2+][C@H]1[C@@H](CN2CCN(CC3CC3)CC2)CCC1(C)C ZINC000094318147 184779952 /nfs/dbraw/zinc/77/99/52/184779952.db2.gz GJNLBHIPBBAABK-CVEARBPZSA-N 1 3 279.472 2.038 10 0 CEAEHO C[C@H]([NH3+])Cc1ccccc1N1CCN2CCCC[C@@H]2C1 ZINC000094444574 135089115 /nfs/dbraw/zinc/08/91/15/135089115.db2.gz HISYOXXVTXEVLG-GOEBONIOSA-N 1 3 273.424 2.251 10 0 CEAEHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H](O)C(C)(C)C ZINC000324462837 394549429 /nfs/dbraw/zinc/54/94/29/394549429.db2.gz YMPKQIHXBFLIEQ-MCIONIFRSA-N 1 3 256.434 2.294 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(c3ccnc4ccccc43)C[C@@H]12 ZINC000261629288 394604876 /nfs/dbraw/zinc/60/48/76/394604876.db2.gz VRYBZPCZSAEOJO-MRVWCRGKSA-N 1 3 253.349 2.408 10 0 CEAEHO CN(C)Cc1ccc(NC(=O)CC[C@H]2CCC[NH2+]2)cc1 ZINC000380304654 395167935 /nfs/dbraw/zinc/16/79/35/395167935.db2.gz IRBYMDOHNBYHQE-CQSZACIVSA-N 1 3 275.396 2.219 10 0 CEAEHO C[C@H]1CC[C@@H](CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)O1 ZINC000381292401 395173348 /nfs/dbraw/zinc/17/33/48/395173348.db2.gz JZAQESWTZLKLBK-ORQFMDKSSA-N 1 3 274.408 2.228 10 0 CEAEHO CCCN1CCN([C@@H](C[NH3+])c2ccc(OCC)cc2)CC1 ZINC000020179715 171043986 /nfs/dbraw/zinc/04/39/86/171043986.db2.gz DAPXFOAHVAZWAO-KRWDZBQOSA-N 1 3 291.439 2.113 10 0 CEAEHO Cc1cccc([C@@H](C[NH3+])N2CCN(CC3CC3)CC2)c1 ZINC000020179469 171044492 /nfs/dbraw/zinc/04/44/92/171044492.db2.gz HXSMEPPIXYFEEN-QGZVFWFLSA-N 1 3 273.424 2.022 10 0 CEAEHO CC(C)N1CCC(CN)([N@H+](C)C2CCCCC2)CC1 ZINC000035176681 172029320 /nfs/dbraw/zinc/02/93/20/172029320.db2.gz JLWZJARHICSCFD-UHFFFAOYSA-N 1 3 267.461 2.453 10 0 CEAEHO CC(C)N1CCC(CN)([N@@H+](C)C2CCCCC2)CC1 ZINC000035176681 172029323 /nfs/dbraw/zinc/02/93/23/172029323.db2.gz JLWZJARHICSCFD-UHFFFAOYSA-N 1 3 267.461 2.453 10 0 CEAEHO CCN1CCC([NH2+][C@@H](C)[C@@H]2CCCN(CC)C2)CC1 ZINC000038098046 174112939 /nfs/dbraw/zinc/11/29/39/174112939.db2.gz RKFMIEFCFBFHFB-LSDHHAIUSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@H]([NH3+])[C@H](c1ccncc1)N(CCN(C)C)CC(C)C ZINC000043354821 175022699 /nfs/dbraw/zinc/02/26/99/175022699.db2.gz NPDOSACJLVIANA-IRXDYDNUSA-N 1 3 292.471 2.380 10 0 CEAEHO Cc1cc(C)cc([C@H](C[NH3+])N2CCN(C(C)C)CC2)c1 ZINC000043394174 175034994 /nfs/dbraw/zinc/03/49/94/175034994.db2.gz CLTQIZLDEGKDDK-KRWDZBQOSA-N 1 3 275.440 2.329 10 0 CEAEHO C[NH2+][C@H]1c2ccccc2CC[C@@H]1N(C)C1CCN(C)CC1 ZINC000043815262 175111636 /nfs/dbraw/zinc/11/16/36/175111636.db2.gz YLQUCCQMXWAAPQ-ROUUACIJSA-N 1 3 287.451 2.288 10 0 CEAEHO CC[C@H]([C@H]([NH2+]C)c1ccccc1)N1CCCN(C)CC1 ZINC000043818237 175113394 /nfs/dbraw/zinc/11/33/94/175113394.db2.gz CRUHXEXWLMSRTL-IAGOWNOFSA-N 1 3 275.440 2.363 10 0 CEAEHO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CCN(C(C)C)CC1 ZINC000043897057 175120017 /nfs/dbraw/zinc/12/00/17/175120017.db2.gz UUDREJYXVLVRRE-PMPSAXMXSA-N 1 3 267.461 2.179 10 0 CEAEHO C[NH2+][C@@H](CN1CCN(C(C)C)CC1)c1ccccc1C ZINC000043896949 175120105 /nfs/dbraw/zinc/12/01/05/175120105.db2.gz HNRJQIJXXRIALQ-KRWDZBQOSA-N 1 3 275.440 2.282 10 0 CEAEHO C[C@@H](CN1CCCCC1)NC(=O)C1(C[NH3+])CCCCCC1 ZINC000044763730 175247942 /nfs/dbraw/zinc/24/79/42/175247942.db2.gz TVVVMYHYXOKCSG-HNNXBMFYSA-N 1 3 295.471 2.276 10 0 CEAEHO CC(C)N1CC[C@H](C[NH2+]CCCOCC(F)(F)F)C1 ZINC000045134752 175313064 /nfs/dbraw/zinc/31/30/64/175313064.db2.gz MQJKMYQEVSYSDE-GFCCVEGCSA-N 1 3 282.350 2.275 10 0 CEAEHO C[C@@](CCC[NH+]1CCCCCCC1)(NC1CC1)C(N)=O ZINC000045371673 175364157 /nfs/dbraw/zinc/36/41/57/175364157.db2.gz LAMKUGGTNVLWQN-INIZCTEOSA-N 1 3 281.444 2.029 10 0 CEAEHO CC[N@H+](CCC[C@@](C)(NC1CC1)C(N)=O)C1CCCCC1 ZINC000045372478 175364800 /nfs/dbraw/zinc/36/48/00/175364800.db2.gz NUOBZJBIGVWEOU-QGZVFWFLSA-N 1 3 295.471 2.417 10 0 CEAEHO CC[N@@H+](CCC[C@@](C)(NC1CC1)C(N)=O)C1CCCCC1 ZINC000045372478 175364801 /nfs/dbraw/zinc/36/48/01/175364801.db2.gz NUOBZJBIGVWEOU-QGZVFWFLSA-N 1 3 295.471 2.417 10 0 CEAEHO CC[N@H+](CCCC[C@](C)(NC1CC1)C(N)=O)CC(C)C ZINC000045381746 175370264 /nfs/dbraw/zinc/37/02/64/175370264.db2.gz BDLKOYKTFRXQRP-INIZCTEOSA-N 1 3 283.460 2.131 10 0 CEAEHO CC[N@@H+](CCCC[C@](C)(NC1CC1)C(N)=O)CC(C)C ZINC000045381746 175370266 /nfs/dbraw/zinc/37/02/66/175370266.db2.gz BDLKOYKTFRXQRP-INIZCTEOSA-N 1 3 283.460 2.131 10 0 CEAEHO CC[N@H+](CCCC[C@@](C)(NC1CC1)C(N)=O)C1CCCC1 ZINC000045390526 175375145 /nfs/dbraw/zinc/37/51/45/175375145.db2.gz TUSGQWBDBDBPNU-QGZVFWFLSA-N 1 3 295.471 2.417 10 0 CEAEHO CC[N@@H+](CCCC[C@@](C)(NC1CC1)C(N)=O)C1CCCC1 ZINC000045390526 175375147 /nfs/dbraw/zinc/37/51/47/175375147.db2.gz TUSGQWBDBDBPNU-QGZVFWFLSA-N 1 3 295.471 2.417 10 0 CEAEHO CC(C)C[NH+](CCC[C@@](C)(NC1CC1)C(N)=O)CC(C)C ZINC000045420430 175378803 /nfs/dbraw/zinc/37/88/03/175378803.db2.gz DUFBEBRRXSBWNL-QGZVFWFLSA-N 1 3 297.487 2.377 10 0 CEAEHO CO[C@@H](CN[C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000665284052 415672840 /nfs/dbraw/zinc/67/28/40/415672840.db2.gz ZMXAJIXHXNLYFL-GJZGRUSLSA-N 1 3 254.418 2.313 10 0 CEAEHO c1ccc2c(c1)CCO[C@@H]2CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000071090728 176031162 /nfs/dbraw/zinc/03/11/62/176031162.db2.gz NXFSQECFJVEKRN-KBXCAEBGSA-N 1 3 286.419 2.374 10 0 CEAEHO c1ccc2c(c1)CCO[C@@H]2CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000071090728 176031164 /nfs/dbraw/zinc/03/11/64/176031164.db2.gz NXFSQECFJVEKRN-KBXCAEBGSA-N 1 3 286.419 2.374 10 0 CEAEHO c1ccc2c(c1)CCO[C@@H]2C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000071090728 176031166 /nfs/dbraw/zinc/03/11/66/176031166.db2.gz NXFSQECFJVEKRN-KBXCAEBGSA-N 1 3 286.419 2.374 10 0 CEAEHO CC[C@H]1CCC[C@@](CN)([N@H+](C)[C@@H]2CCCN(C)C2)C1 ZINC000071124576 176035217 /nfs/dbraw/zinc/03/52/17/176035217.db2.gz QIHSMIDZQGRVHL-ARFHVFGLSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@H]1CCC[C@@](CN)([N@@H+](C)[C@@H]2CCCN(C)C2)C1 ZINC000071124576 176035218 /nfs/dbraw/zinc/03/52/18/176035218.db2.gz QIHSMIDZQGRVHL-ARFHVFGLSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@H]1CCC[C@](CN)([N@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071124905 176035505 /nfs/dbraw/zinc/03/55/05/176035505.db2.gz VPJWFKMYOKBSKO-XHSDSOJGSA-N 1 3 267.461 2.168 10 0 CEAEHO CC[C@H]1CCC[C@](CN)([N@@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071124905 176035507 /nfs/dbraw/zinc/03/55/07/176035507.db2.gz VPJWFKMYOKBSKO-XHSDSOJGSA-N 1 3 267.461 2.168 10 0 CEAEHO C[NH2+]C[C@@H]1CCN(CCCC(=O)Nc2cccc(C)c2)C1 ZINC000071145447 176041755 /nfs/dbraw/zinc/04/17/55/176041755.db2.gz XPDFTRCKVFBRBZ-HNNXBMFYSA-N 1 3 289.423 2.255 10 0 CEAEHO CC[C@@H]1CN([C@@]2(C[NH3+])CCCC[C@@H]2CC)CCN1C ZINC000071162258 176046658 /nfs/dbraw/zinc/04/66/58/176046658.db2.gz GLWCIBGMMPEZRL-ARFHVFGLSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@H]1CCCC[C@]1(CN)[N@H+](C)CCCN(C)C ZINC000071162282 176046831 /nfs/dbraw/zinc/04/68/31/176046831.db2.gz CWRIEGUQTZMPAG-LSDHHAIUSA-N 1 3 255.450 2.168 10 0 CEAEHO CC[C@H]1CCCC[C@]1(CN)[N@@H+](C)CCCN(C)C ZINC000071162282 176046833 /nfs/dbraw/zinc/04/68/33/176046833.db2.gz CWRIEGUQTZMPAG-LSDHHAIUSA-N 1 3 255.450 2.168 10 0 CEAEHO CCc1ccc([C@H](N)CN(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071188680 176063840 /nfs/dbraw/zinc/06/38/40/176063840.db2.gz ITXQLCSCSSFLNE-NVXWUHKLSA-N 1 3 275.440 2.132 10 0 CEAEHO CCc1ccc([C@H](N)CN(C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071188680 176063841 /nfs/dbraw/zinc/06/38/41/176063841.db2.gz ITXQLCSCSSFLNE-NVXWUHKLSA-N 1 3 275.440 2.132 10 0 CEAEHO Cc1cc(CN(C)C[C@@H]2CC[N@H+](C)C2)oc1CNC(C)C ZINC000071192038 176072398 /nfs/dbraw/zinc/07/23/98/176072398.db2.gz YLIRQFIAYMTOEI-OAHLLOKOSA-N 1 3 293.455 2.470 10 0 CEAEHO Cc1cc(CN(C)C[C@@H]2CC[N@@H+](C)C2)oc1CNC(C)C ZINC000071192038 176072399 /nfs/dbraw/zinc/07/23/99/176072399.db2.gz YLIRQFIAYMTOEI-OAHLLOKOSA-N 1 3 293.455 2.470 10 0 CEAEHO CC[C@H](C)N1CCN(Cc2ccc(F)cc2C(N)=[NH2+])CC1 ZINC000071268011 176101906 /nfs/dbraw/zinc/10/19/06/176101906.db2.gz YWQYEJLZMHECGA-LBPRGKRZSA-N 1 3 292.402 2.026 10 0 CEAEHO CCN1CCN(CCC[C@H]([NH3+])c2ccccc2)CC1 ZINC000071401633 176153765 /nfs/dbraw/zinc/15/37/65/176153765.db2.gz AZRMOUULKCFJST-INIZCTEOSA-N 1 3 261.413 2.104 10 0 CEAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](N)CC1CCCCC1 ZINC000261813009 276180877 /nfs/dbraw/zinc/18/08/77/276180877.db2.gz ZWPBYVSNTKWFAS-HOTGVXAUSA-N 1 3 295.471 2.227 10 0 CEAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](N)CC1CCCCC1 ZINC000261813009 276180878 /nfs/dbraw/zinc/18/08/78/276180878.db2.gz ZWPBYVSNTKWFAS-HOTGVXAUSA-N 1 3 295.471 2.227 10 0 CEAEHO CC(C)C[C@@H]1CSC(N[C@@H](C)CC[NH+](C)C)=N1 ZINC000049559264 519275425 /nfs/dbraw/zinc/27/54/25/519275425.db2.gz SCIWQYGRWOUEAR-NWDGAFQWSA-N 1 3 257.447 2.434 10 0 CEAEHO CC(C)CN(C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181364 519709123 /nfs/dbraw/zinc/70/91/23/519709123.db2.gz YMGQPJSMIJNYSG-UHFFFAOYSA-N 1 3 256.434 2.369 10 0 CEAEHO CC(C)C[N@H+](C)CC1(CNC(C)C)CCOCC1 ZINC000052181364 519709124 /nfs/dbraw/zinc/70/91/24/519709124.db2.gz YMGQPJSMIJNYSG-UHFFFAOYSA-N 1 3 256.434 2.369 10 0 CEAEHO CC(C)C[N@@H+](C)CC1(CNC(C)C)CCOCC1 ZINC000052181364 519709125 /nfs/dbraw/zinc/70/91/25/519709125.db2.gz YMGQPJSMIJNYSG-UHFFFAOYSA-N 1 3 256.434 2.369 10 0 CEAEHO CC(C)[NH2+]CC1(CN2CCCSCC2)CCOCC1 ZINC000052197949 519719694 /nfs/dbraw/zinc/71/96/94/519719694.db2.gz FJAVLPLDWXKIRD-UHFFFAOYSA-N 1 3 286.485 2.220 10 0 CEAEHO CCC[NH2+]CC1(CN2CCC[C@@H]2C)CCOCC1 ZINC000052180439 519910839 /nfs/dbraw/zinc/91/08/39/519910839.db2.gz YOAOXFNURSPEJX-AWEZNQCLSA-N 1 3 254.418 2.267 10 0 CEAEHO CC[NH2+]CC1(CN2CCC[C@@H](C)C2)CCOCC1 ZINC000052180792 519912635 /nfs/dbraw/zinc/91/26/35/519912635.db2.gz WDCACHYJPCOZBK-CQSZACIVSA-N 1 3 254.418 2.125 10 0 CEAEHO CC[N@H+](CCOc1ccccc1CNC)[C@H](C)COC ZINC000052504856 521153260 /nfs/dbraw/zinc/15/32/60/521153260.db2.gz NYVYYQGEHYQZDS-CQSZACIVSA-N 1 3 280.412 2.142 10 0 CEAEHO CC[N@@H+](CCOc1ccccc1CNC)[C@H](C)COC ZINC000052504856 521153267 /nfs/dbraw/zinc/15/32/67/521153267.db2.gz NYVYYQGEHYQZDS-CQSZACIVSA-N 1 3 280.412 2.142 10 0 CEAEHO C[NH2+]Cc1oc(CN2CCN(CC(C)C)CC2)cc1C ZINC000055083117 522161106 /nfs/dbraw/zinc/16/11/06/522161106.db2.gz QQZXCFPRDHFATM-UHFFFAOYSA-N 1 3 279.428 2.081 10 0 CEAEHO C[NH2+][C@@H]1CCCCC[C@H]1CN1CCC(OC)CC1 ZINC000053866153 522376748 /nfs/dbraw/zinc/37/67/48/522376748.db2.gz LRHCUIXJDNZOIT-DZGCQCFKSA-N 1 3 254.418 2.266 10 0 CEAEHO CC(C)CN(CC[NH+](C)C)c1nc([C@H](C)N)cs1 ZINC000080805286 517420534 /nfs/dbraw/zinc/42/05/34/517420534.db2.gz YBHRHDDYVZQRLF-NSHDSACASA-N 1 3 270.446 2.187 10 0 CEAEHO C(CC1CC[NH2+]CC1)CN1CCO[C@H]2CCC[C@@H]21 ZINC000050953907 518383901 /nfs/dbraw/zinc/38/39/01/518383901.db2.gz VMLFPPYCSHIOCV-GJZGRUSLSA-N 1 3 252.402 2.020 10 0 CEAEHO CC(C)(C)N1CCN(C[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000052883467 518711378 /nfs/dbraw/zinc/71/13/78/518711378.db2.gz FMRMHVANYJCPHB-QGZVFWFLSA-N 1 3 275.440 2.277 10 0 CEAEHO CC(C)(C)N1CCN([C@@H](C[NH3+])CCc2ccccc2)CC1 ZINC000061624887 518714170 /nfs/dbraw/zinc/71/41/70/518714170.db2.gz DQKTXVHFEBLQNA-QGZVFWFLSA-N 1 3 289.467 2.363 10 0 CEAEHO CC(C)N1CCN([C@@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055022903 519682927 /nfs/dbraw/zinc/68/29/27/519682927.db2.gz PXLRDPFZPUQETG-HNNXBMFYSA-N 1 3 274.412 2.080 10 0 CEAEHO CC(C)CN1CCN(C[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000055083673 519726469 /nfs/dbraw/zinc/72/64/69/519726469.db2.gz WVTDQTYECKMPNO-ULQDDVLXSA-N 1 3 279.472 2.181 10 0 CEAEHO CC(C)CN1CCN(c2cc(C[NH2+]C(C)C)ccn2)CC1 ZINC000055082564 519728389 /nfs/dbraw/zinc/72/83/89/519728389.db2.gz OQFGWFXDKKZCFS-UHFFFAOYSA-N 1 3 290.455 2.358 10 0 CEAEHO CC(C)C[NH2+]C[C@@H](C)N1CCN(C(C)(C)C)CC1 ZINC000052571580 519744467 /nfs/dbraw/zinc/74/44/67/519744467.db2.gz ZNJCHPFNSCLVGT-CQSZACIVSA-N 1 3 255.450 2.037 10 0 CEAEHO CC(C)C[NH2+]C[C@H]1CC[C@H](CN(C)C[C@@H]2CCCCO2)O1 ZINC000052507665 519746553 /nfs/dbraw/zinc/74/65/53/519746553.db2.gz DJFNAIBBOZQNMP-IXDOHACOSA-N 1 3 298.471 2.281 10 0 CEAEHO CCC[NH2+]C[C@@H](C)CN(CCN(C)C)CC(C)C ZINC000052503295 519920428 /nfs/dbraw/zinc/92/04/28/519920428.db2.gz VIBQGCSTOHONMT-OAHLLOKOSA-N 1 3 257.466 2.142 10 0 CEAEHO CCC[NH2+]Cc1ccc(CN(C)CCOC)cc1 ZINC000052572917 519948125 /nfs/dbraw/zinc/94/81/25/519948125.db2.gz IXEWIQKCEGAJOF-UHFFFAOYSA-N 1 3 250.386 2.264 10 0 CEAEHO CC[NH2+]C[C@H]1CC[C@H](CN2CCc3ccccc3C2)O1 ZINC000052419165 519981043 /nfs/dbraw/zinc/98/10/43/519981043.db2.gz LTSVUODGFRJQGT-IAGOWNOFSA-N 1 3 274.408 2.202 10 0 CEAEHO CCNCc1cc(F)ccc1N1CCC[C@H]1C[NH+](C)C ZINC000061646071 519992924 /nfs/dbraw/zinc/99/29/24/519992924.db2.gz AJXDYSUGKQIARO-HNNXBMFYSA-N 1 3 279.403 2.466 10 0 CEAEHO CC[NH2+]Cc1ccoc1CN(CCOC)CC(C)C ZINC000052508492 520011257 /nfs/dbraw/zinc/01/12/57/520011257.db2.gz JLOBKECBGPCOCJ-UHFFFAOYSA-N 1 3 268.401 2.494 10 0 CEAEHO CCNCc1oc(COCC[NH+]2CCCC2)cc1C ZINC000052670589 520028675 /nfs/dbraw/zinc/02/86/75/520028675.db2.gz FYDDEWNFFHLEMI-UHFFFAOYSA-N 1 3 266.385 2.310 10 0 CEAEHO CC[NH2+]Cc1occc1CN(C)[C@@H]1CCSC1 ZINC000052453272 520031762 /nfs/dbraw/zinc/03/17/62/520031762.db2.gz AGVDTSVCLWALTP-GFCCVEGCSA-N 1 3 254.399 2.326 10 0 CEAEHO CC[NH2+][C@@H]1CCCC[C@H]1CN1CCN(CC(C)C)CC1 ZINC000055082097 520116813 /nfs/dbraw/zinc/11/68/13/520116813.db2.gz UFIZGRBEULWXLN-DLBZAZTESA-N 1 3 281.488 2.428 10 0 CEAEHO CCCC[NH2+]C[C@H](C)N1CCN(CC(C)C)CC1 ZINC000055075931 520692346 /nfs/dbraw/zinc/69/23/46/520692346.db2.gz YLIVAMNIYKKACS-HNNXBMFYSA-N 1 3 255.450 2.038 10 0 CEAEHO CCN1CCC(N(C)C(=O)[C@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055147774 521555841 /nfs/dbraw/zinc/55/58/41/521555841.db2.gz VEGZXWNGDCPNCD-CABCVRRESA-N 1 3 295.471 2.084 10 0 CEAEHO CCc1ccccc1[C@H](C[NH3+])N1CCN(C(C)C)CC1 ZINC000052203565 521954044 /nfs/dbraw/zinc/95/40/44/521954044.db2.gz XPBRBFTYDCFKNM-KRWDZBQOSA-N 1 3 275.440 2.275 10 0 CEAEHO C[NH2+]CCC[C@H](C)N1CCc2cc(OC)c(OC)cc2C1 ZINC000052417244 522000138 /nfs/dbraw/zinc/00/01/38/522000138.db2.gz FATLSQNFRRBMCZ-ZDUSSCGKSA-N 1 3 292.423 2.450 10 0 CEAEHO C[NH2+]CCC[C@H](C)N1CCN(c2ccccc2F)CC1 ZINC000052374730 522000972 /nfs/dbraw/zinc/00/09/72/522000972.db2.gz GRTIJVYNUJSLSI-AWEZNQCLSA-N 1 3 279.403 2.336 10 0 CEAEHO CC[C@@H](C)N1CCN(CCCC[C@@H](C)[NH2+]C)CC1 ZINC000055065103 522118572 /nfs/dbraw/zinc/11/85/72/522118572.db2.gz GZHUZHILKFJLOS-HUUCEWRRSA-N 1 3 255.450 2.181 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](C[NH3+])c2ccc(C)o2)CC1 ZINC000055064066 522129940 /nfs/dbraw/zinc/12/99/40/522129940.db2.gz PQQYXDSCBQZTQE-OCCSQVGLSA-N 1 3 265.401 2.004 10 0 CEAEHO C[NH2+][C@@H](C)c1sc(N(C)CCN2CCCC2)nc1C ZINC000063054451 522339373 /nfs/dbraw/zinc/33/93/73/522339373.db2.gz UIEXHYSBGLVEDX-NSHDSACASA-N 1 3 282.457 2.264 10 0 CEAEHO C[NH2+][C@H](CCN1CCN(CC(C)C)CC1)C(C)(C)C ZINC000055082000 522460195 /nfs/dbraw/zinc/46/01/95/522460195.db2.gz FIIVWFGGPSNPMO-OAHLLOKOSA-N 1 3 269.477 2.284 10 0 CEAEHO CC[C@H]1CC[C@@H](CN)[C@H]([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061642541 523186456 /nfs/dbraw/zinc/18/64/56/523186456.db2.gz USWSIGFDDOHJFA-CAOSSQGBSA-N 1 3 267.461 2.166 10 0 CEAEHO CC[C@H]1CC[C@@H](CN)[C@H]([N@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061642541 523186461 /nfs/dbraw/zinc/18/64/61/523186461.db2.gz USWSIGFDDOHJFA-CAOSSQGBSA-N 1 3 267.461 2.166 10 0 CEAEHO COCC[N@H+](C[C@H](C)CNC1CC1)[C@@H](C)C1CC1 ZINC000052545312 523733560 /nfs/dbraw/zinc/73/35/60/523733560.db2.gz KFCHDDWMYMOWCX-OLZOCXBDSA-N 1 3 254.418 2.121 10 0 CEAEHO COCC[N@@H+](C[C@H](C)CNC1CC1)[C@@H](C)C1CC1 ZINC000052545312 523733566 /nfs/dbraw/zinc/73/35/66/523733566.db2.gz KFCHDDWMYMOWCX-OLZOCXBDSA-N 1 3 254.418 2.121 10 0 CEAEHO C[N@@H+]1CCCN(Cc2csc(CNC(C)(C)C)n2)CC1 ZINC000052424067 523810449 /nfs/dbraw/zinc/81/04/49/523810449.db2.gz JGQAZPCCVNNYML-UHFFFAOYSA-N 1 3 296.484 2.169 10 0 CEAEHO C[N@H+]1CCCN(Cc2csc(CNC(C)(C)C)n2)CC1 ZINC000052424067 523810454 /nfs/dbraw/zinc/81/04/54/523810454.db2.gz JGQAZPCCVNNYML-UHFFFAOYSA-N 1 3 296.484 2.169 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C)C[NH2+]CCC(C)C)CC1 ZINC000055075300 523958084 /nfs/dbraw/zinc/95/80/84/523958084.db2.gz WPSJMOMMQRZBHS-HOTGVXAUSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H]2Cc3ccccc3[C@@H]2[NH2+]C)CC1 ZINC000055065268 523958484 /nfs/dbraw/zinc/95/84/84/523958484.db2.gz WNXKOJJANRFCSA-QGTPRVQTSA-N 1 3 287.451 2.288 10 0 CEAEHO C[NH+](C)C1CCN(c2nc3c(s2)[C@@H](N)CCC3)CC1 ZINC000054895684 524040706 /nfs/dbraw/zinc/04/07/06/524040706.db2.gz ZZEJSSPRPXNQDD-NSHDSACASA-N 1 3 280.441 2.010 10 0 CEAEHO C[C@H](CCC[NH2+]C(C)(C)C)N1CCN(C2CC2)CC1 ZINC000052371369 524141993 /nfs/dbraw/zinc/14/19/93/524141993.db2.gz MCMZAMLWVZWQSG-CQSZACIVSA-N 1 3 267.461 2.323 10 0 CEAEHO C[C@H](CN1CCCCC1)[NH2+]CC[C@@H]1CCCCN1C ZINC000052206002 524333992 /nfs/dbraw/zinc/33/39/92/524333992.db2.gz QBWFBTIETZPQRR-CVEARBPZSA-N 1 3 267.461 2.325 10 0 CEAEHO C[C@@H](CN1CCCCC1)[NH2+]CC[C@H]1CCCCN1C ZINC000052206003 524604742 /nfs/dbraw/zinc/60/47/42/524604742.db2.gz QBWFBTIETZPQRR-JKSUJKDBSA-N 1 3 267.461 2.325 10 0 CEAEHO Cc1ccccc1[C@@H]([C@@H](C)N)[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061642045 525377296 /nfs/dbraw/zinc/37/72/96/525377296.db2.gz IYGAXUXKUSPRHZ-BFYDXBDKSA-N 1 3 275.440 2.409 10 0 CEAEHO Cc1ccccc1[C@@H]([C@@H](C)N)[N@H+]1CCC[C@@H]1CN(C)C ZINC000061642045 525377300 /nfs/dbraw/zinc/37/73/00/525377300.db2.gz IYGAXUXKUSPRHZ-BFYDXBDKSA-N 1 3 275.440 2.409 10 0 CEAEHO Cc1cc([C@H](C[NH3+])N2CCN(C(C)C)CC2)ccc1F ZINC000050546103 525536080 /nfs/dbraw/zinc/53/60/80/525536080.db2.gz GIQRYPCPOLPIPI-INIZCTEOSA-N 1 3 279.403 2.160 10 0 CEAEHO c1ccc(C[C@H]2C[N@H+](C[C@@H]3CCCO3)CCCN2)cc1 ZINC000062668031 526476430 /nfs/dbraw/zinc/47/64/30/526476430.db2.gz RQGHYZWCHOMHNH-IRXDYDNUSA-N 1 3 274.408 2.072 10 0 CEAEHO c1ccc(C[C@H]2C[N@@H+](C[C@@H]3CCCO3)CCCN2)cc1 ZINC000062668031 526476433 /nfs/dbraw/zinc/47/64/33/526476433.db2.gz RQGHYZWCHOMHNH-IRXDYDNUSA-N 1 3 274.408 2.072 10 0 CEAEHO Cc1nc(CNCCC[C@H]2CCCC[NH2+]2)cs1 ZINC000050953553 526888162 /nfs/dbraw/zinc/88/81/62/526888162.db2.gz YEFWGFVLLWUKSM-GFCCVEGCSA-N 1 3 253.415 2.463 10 0 CEAEHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000309932778 628230852 /nfs/dbraw/zinc/23/08/52/628230852.db2.gz WZLAKURBYHXWJM-FJIDUMEYSA-N 1 3 286.419 2.276 10 0 CEAEHO [NH3+]CCN1CCN([C@@H]2CCCCc3ccccc32)CC1 ZINC000038956320 343434645 /nfs/dbraw/zinc/43/46/45/343434645.db2.gz WEXZUXZCSUGEFO-QGZVFWFLSA-N 1 3 273.424 2.030 10 0 CEAEHO Cc1nccn1CCN1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000085615127 179104510 /nfs/dbraw/zinc/10/45/10/179104510.db2.gz GGNIBEFODAFTRA-KRWDZBQOSA-N 1 3 290.455 2.436 10 0 CEAEHO C[C@H]1CCNC2(CCCCC2)C[N@@H+]1[C@@H]1CCOC1 ZINC000085621005 179105457 /nfs/dbraw/zinc/10/54/57/179105457.db2.gz UVKLIGOQNKZWPG-UONOGXRCSA-N 1 3 252.402 2.162 10 0 CEAEHO C[C@H]1CCNC2(CCCCC2)C[N@H+]1[C@@H]1CCOC1 ZINC000085621005 179105458 /nfs/dbraw/zinc/10/54/58/179105458.db2.gz UVKLIGOQNKZWPG-UONOGXRCSA-N 1 3 252.402 2.162 10 0 CEAEHO CCC[C@H]1C[N@@H+]([C@@H]2CN3CCC2CC3)[C@H](C(C)C)CN1 ZINC000086182755 179247453 /nfs/dbraw/zinc/24/74/53/179247453.db2.gz KCSFAWFDOWGAGL-YESZJQIVSA-N 1 3 279.472 2.179 10 0 CEAEHO CCC[C@H]1C[N@H+]([C@@H]2CN3CCC2CC3)[C@H](C(C)C)CN1 ZINC000086182755 179247456 /nfs/dbraw/zinc/24/74/56/179247456.db2.gz KCSFAWFDOWGAGL-YESZJQIVSA-N 1 3 279.472 2.179 10 0 CEAEHO CC[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCN(CC)C1 ZINC000086223002 179250443 /nfs/dbraw/zinc/25/04/43/179250443.db2.gz MFKFJXXQPKMTJK-OIISXLGYSA-N 1 3 279.472 2.181 10 0 CEAEHO CC[C@@H]1CN[C@](C)(C2CC2)C[N@H+]1C[C@@H]1CCN(CC)C1 ZINC000086223002 179250446 /nfs/dbraw/zinc/25/04/46/179250446.db2.gz MFKFJXXQPKMTJK-OIISXLGYSA-N 1 3 279.472 2.181 10 0 CEAEHO CC[C@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259606 179257692 /nfs/dbraw/zinc/25/76/92/179257692.db2.gz AFYUEYGOKHSYPI-NUEKZKHPSA-N 1 3 279.472 2.322 10 0 CEAEHO CC[C@H]1CN[C@@H](C(C)(C)C)C[N@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259606 179257694 /nfs/dbraw/zinc/25/76/94/179257694.db2.gz AFYUEYGOKHSYPI-NUEKZKHPSA-N 1 3 279.472 2.322 10 0 CEAEHO CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259606 179257696 /nfs/dbraw/zinc/25/76/96/179257696.db2.gz AFYUEYGOKHSYPI-NUEKZKHPSA-N 1 3 279.472 2.322 10 0 CEAEHO CC[C@@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259605 179258726 /nfs/dbraw/zinc/25/87/26/179258726.db2.gz AFYUEYGOKHSYPI-FVQBIDKESA-N 1 3 279.472 2.322 10 0 CEAEHO CC[C@@H]1CN[C@@H](C(C)(C)C)C[N@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259605 179258728 /nfs/dbraw/zinc/25/87/28/179258728.db2.gz AFYUEYGOKHSYPI-FVQBIDKESA-N 1 3 279.472 2.322 10 0 CEAEHO CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259605 179258730 /nfs/dbraw/zinc/25/87/30/179258730.db2.gz AFYUEYGOKHSYPI-FVQBIDKESA-N 1 3 279.472 2.322 10 0 CEAEHO CN(C)CCC[N@@H+]1CCCN[C@](C)(c2ccccc2)C1 ZINC000086286968 179264171 /nfs/dbraw/zinc/26/41/71/179264171.db2.gz DHYQSNPIZBXGGH-KRWDZBQOSA-N 1 3 275.440 2.149 10 0 CEAEHO CN(C)CCC[N@H+]1CCCN[C@](C)(c2ccccc2)C1 ZINC000086286968 179264173 /nfs/dbraw/zinc/26/41/73/179264173.db2.gz DHYQSNPIZBXGGH-KRWDZBQOSA-N 1 3 275.440 2.149 10 0 CEAEHO CN1CCC[C@@H]([N@@H+]2CCCN[C@H](c3ccccc3)C2)C1 ZINC000086288943 179264417 /nfs/dbraw/zinc/26/44/17/179264417.db2.gz XJXCSLWXIISUNK-SJORKVTESA-N 1 3 273.424 2.117 10 0 CEAEHO CN1CCC[C@@H]([N@H+]2CCCN[C@H](c3ccccc3)C2)C1 ZINC000086288943 179264419 /nfs/dbraw/zinc/26/44/19/179264419.db2.gz XJXCSLWXIISUNK-SJORKVTESA-N 1 3 273.424 2.117 10 0 CEAEHO CCN1CCC[C@H]([N@@H+]2CCCN[C@H](C(C)(C)C)C2)C1 ZINC000086289427 179264547 /nfs/dbraw/zinc/26/45/47/179264547.db2.gz XVIAUSSJDHVKEP-GJZGRUSLSA-N 1 3 267.461 2.181 10 0 CEAEHO CCN1CCC[C@H]([N@H+]2CCCN[C@H](C(C)(C)C)C2)C1 ZINC000086289427 179264551 /nfs/dbraw/zinc/26/45/51/179264551.db2.gz XVIAUSSJDHVKEP-GJZGRUSLSA-N 1 3 267.461 2.181 10 0 CEAEHO CCN1CCC[C@H](N2CCC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC000086289427 179264552 /nfs/dbraw/zinc/26/45/52/179264552.db2.gz XVIAUSSJDHVKEP-GJZGRUSLSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@H]1CN[C@](C)(CC)C[N@@H+]1[C@@H](C)CCN(C)C ZINC000086255834 179257250 /nfs/dbraw/zinc/25/72/50/179257250.db2.gz WNZGAMPJJVHHOC-SOUVJXGZSA-N 1 3 255.450 2.179 10 0 CEAEHO CC[C@H]1CN[C@](C)(CC)C[N@H+]1[C@@H](C)CCN(C)C ZINC000086255834 179257251 /nfs/dbraw/zinc/25/72/51/179257251.db2.gz WNZGAMPJJVHHOC-SOUVJXGZSA-N 1 3 255.450 2.179 10 0 CEAEHO CC(C)C[C@H]1CN(C[C@@H]2CCCCN2C)CCC[NH2+]1 ZINC000086291674 179266604 /nfs/dbraw/zinc/26/66/04/179266604.db2.gz FCVJYIHWMMXMEM-HOTGVXAUSA-N 1 3 267.461 2.181 10 0 CEAEHO C1CC1N1CC[C@@H](N2CCC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086291989 179266661 /nfs/dbraw/zinc/26/66/61/179266661.db2.gz GYIOFNBQBWRLTL-MSOLQXFVSA-N 1 3 291.483 2.467 10 0 CEAEHO CO[C@@H]1CCC[C@@H]1[N@@H+]1CCCNC2(CCCC2)C1 ZINC000086293532 179267436 /nfs/dbraw/zinc/26/74/36/179267436.db2.gz GDVFXJXNYGERHL-UONOGXRCSA-N 1 3 252.402 2.162 10 0 CEAEHO CO[C@@H]1CCC[C@@H]1[N@H+]1CCCNC2(CCCC2)C1 ZINC000086293532 179267438 /nfs/dbraw/zinc/26/74/38/179267438.db2.gz GDVFXJXNYGERHL-UONOGXRCSA-N 1 3 252.402 2.162 10 0 CEAEHO CO[C@@H]1CCC[C@@H]1N1CCC[NH2+]C2(CCCC2)C1 ZINC000086293532 179267439 /nfs/dbraw/zinc/26/74/39/179267439.db2.gz GDVFXJXNYGERHL-UONOGXRCSA-N 1 3 252.402 2.162 10 0 CEAEHO C[C@H]1CN(CC2CC[NH+](C3CCC3)CC2)C[C@H](C)O1 ZINC000178989459 290839392 /nfs/dbraw/zinc/83/93/92/290839392.db2.gz WTNIKCNSYRMUBN-KBPBESRZSA-N 1 3 266.429 2.360 10 0 CEAEHO CCC(CC)[C@H](C[NH2+][C@H]1CCCN(C)CC1)N(C)C ZINC000086817436 179344959 /nfs/dbraw/zinc/34/49/59/179344959.db2.gz AAABTIGNWLUIFL-HOTGVXAUSA-N 1 3 269.477 2.427 10 0 CEAEHO CCCN1CCC[C@H]([NH2+][C@@H](C)Cn2cccn2)CC1 ZINC000086840480 179353342 /nfs/dbraw/zinc/35/33/42/179353342.db2.gz UNZPMYASGDISJK-GJZGRUSLSA-N 1 3 264.417 2.126 10 0 CEAEHO CCC[N@@H+]1CCC[C@H](N[C@@H](C)Cn2cccn2)CC1 ZINC000086840480 179353344 /nfs/dbraw/zinc/35/33/44/179353344.db2.gz UNZPMYASGDISJK-GJZGRUSLSA-N 1 3 264.417 2.126 10 0 CEAEHO CCC[N@H+]1CCC[C@H](N[C@@H](C)Cn2cccn2)CC1 ZINC000086840480 179353345 /nfs/dbraw/zinc/35/33/45/179353345.db2.gz UNZPMYASGDISJK-GJZGRUSLSA-N 1 3 264.417 2.126 10 0 CEAEHO CC(C)N1CCC[C@H]([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000086842121 179353867 /nfs/dbraw/zinc/35/38/67/179353867.db2.gz FEIHAOBTFBMJCY-GJZGRUSLSA-N 1 3 254.418 2.266 10 0 CEAEHO C[C@H]1CCC[C@@](C[NH3+])(N2CCN(CC3CC3)CC2)CC1 ZINC000086891020 179366166 /nfs/dbraw/zinc/36/61/66/179366166.db2.gz CIWGJSGYWVMRLM-DOTOQJQBSA-N 1 3 279.472 2.312 10 0 CEAEHO CN(C)[C@H]1CC[N@@H+]([C@@]2(CN)CCCC(C)(C)CC2)C1 ZINC000086913430 179367150 /nfs/dbraw/zinc/36/71/50/179367150.db2.gz AIXQBPPSYQMXRI-HOCLYGCPSA-N 1 3 267.461 2.310 10 0 CEAEHO CN(C)[C@H]1CC[N@H+]([C@@]2(CN)CCCC(C)(C)CC2)C1 ZINC000086913430 179367151 /nfs/dbraw/zinc/36/71/51/179367151.db2.gz AIXQBPPSYQMXRI-HOCLYGCPSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@@H]1CCC[C@](C[NH3+])(N(C)CCN(C)C)CC1 ZINC000086913664 179367304 /nfs/dbraw/zinc/36/73/04/179367304.db2.gz DUNMDIWITASUQK-CABCVRRESA-N 1 3 255.450 2.168 10 0 CEAEHO CC[C@@H]1CCC[C@](CN)([N@H+](C)CCN(C)C)CC1 ZINC000086913664 179367305 /nfs/dbraw/zinc/36/73/05/179367305.db2.gz DUNMDIWITASUQK-CABCVRRESA-N 1 3 255.450 2.168 10 0 CEAEHO CC[C@@H]1CCC[C@](CN)([N@@H+](C)CCN(C)C)CC1 ZINC000086913664 179367306 /nfs/dbraw/zinc/36/73/06/179367306.db2.gz DUNMDIWITASUQK-CABCVRRESA-N 1 3 255.450 2.168 10 0 CEAEHO C[NH2+]C1(CC(=O)N[C@H](CN(C)C)C(C)C)CCCCC1 ZINC000087577560 179449190 /nfs/dbraw/zinc/44/91/90/179449190.db2.gz WMMZOLFQBGSDNR-CQSZACIVSA-N 1 3 283.460 2.001 10 0 CEAEHO CCO[C@@H]1CCCN(Cc2ccc(OC)c(C[NH3+])c2)C1 ZINC000087825786 179494792 /nfs/dbraw/zinc/49/47/92/179494792.db2.gz ZJERAQNGWSSZDJ-OAHLLOKOSA-N 1 3 278.396 2.155 10 0 CEAEHO CC[NH+](CC)CCSc1nc2ccccn2c1CNC ZINC000088735428 179661403 /nfs/dbraw/zinc/66/14/03/179661403.db2.gz CRZCCJOKYCZLHJ-UHFFFAOYSA-N 1 3 292.452 2.488 10 0 CEAEHO C[C@H](NCCCOC1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400429682 233178170 /nfs/dbraw/zinc/17/81/70/233178170.db2.gz ZRPJLWHHCIQWHD-UONOGXRCSA-N 1 3 254.418 2.313 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[NH+]1CCCCCCC1 ZINC000090566080 180006093 /nfs/dbraw/zinc/00/60/93/180006093.db2.gz NTPVGRFCZRLWAX-LSDHHAIUSA-N 1 3 254.418 2.267 10 0 CEAEHO CCCN[C@H]1COC[C@H]1C[NH2+]CC1(C)CCCC1 ZINC000090567001 180006432 /nfs/dbraw/zinc/00/64/32/180006432.db2.gz RZZORHQQTBMXJB-KGLIPLIRSA-N 1 3 254.418 2.171 10 0 CEAEHO C[C@@H](CC[NH+](C)C)NC[C@H]1Cc2cc(F)ccc2O1 ZINC000090892503 180054159 /nfs/dbraw/zinc/05/41/59/180054159.db2.gz FMXZVSIQAVNOIJ-SMDDNHRTSA-N 1 3 266.360 2.059 10 0 CEAEHO c1ccc2c(c1)C[C@H]2CN1CC[C@H](C[NH2+]C2CC2)C1 ZINC000090992961 180082491 /nfs/dbraw/zinc/08/24/91/180082491.db2.gz XRUURNKWCMUICQ-HIFRSBDPSA-N 1 3 256.393 2.400 10 0 CEAEHO c1ccc2c(c1)C[C@H]2C[N@H+]1CC[C@H](CNC2CC2)C1 ZINC000090992961 180082493 /nfs/dbraw/zinc/08/24/93/180082493.db2.gz XRUURNKWCMUICQ-HIFRSBDPSA-N 1 3 256.393 2.400 10 0 CEAEHO c1ccc2c(c1)C[C@H]2C[N@@H+]1CC[C@H](CNC2CC2)C1 ZINC000090992961 180082494 /nfs/dbraw/zinc/08/24/94/180082494.db2.gz XRUURNKWCMUICQ-HIFRSBDPSA-N 1 3 256.393 2.400 10 0 CEAEHO CC(C)N1CCO[C@@H](Cn2ccc(C[NH2+]C(C)(C)C)c2)C1 ZINC000091004116 180084299 /nfs/dbraw/zinc/08/42/99/180084299.db2.gz TWFRVFWKHBQQGR-INIZCTEOSA-N 1 3 293.455 2.485 10 0 CEAEHO CC[C@](C)(C[NH3+])C1(O)CCN(Cc2ccccc2)CC1 ZINC000669377180 539758473 /nfs/dbraw/zinc/75/84/73/539758473.db2.gz ISTLKHUXYVGBJT-MRXNPFEDSA-N 1 3 276.424 2.389 10 0 CEAEHO C(C1CC1)N1CCN(C[C@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000091362504 180141698 /nfs/dbraw/zinc/14/16/98/180141698.db2.gz OPSMCMCJSXYMTB-KSZLIROESA-N 1 3 291.483 2.325 10 0 CEAEHO CC[C@@H]1CN(C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CCN1C ZINC000091362846 180142147 /nfs/dbraw/zinc/14/21/47/180142147.db2.gz DRBMGDQTYQBGLP-NXOAAHMSSA-N 1 3 279.472 2.323 10 0 CEAEHO CC(C)C[NH2+]Cc1cncc(OC[C@H]2CCCCN2C)n1 ZINC000091435566 180154471 /nfs/dbraw/zinc/15/44/71/180154471.db2.gz CWCXFQRZEKHXMW-OAHLLOKOSA-N 1 3 292.427 2.085 10 0 CEAEHO C[NH2+]CC1(CN(C)CC2CC(O)C2)CCC(C)CC1 ZINC000091491152 180169572 /nfs/dbraw/zinc/16/95/72/180169572.db2.gz QBXFGAWDXHCVLO-UHFFFAOYSA-N 1 3 268.445 2.105 10 0 CEAEHO CNCC1(C[N@H+](C)CC2CC(O)C2)CCC(C)CC1 ZINC000091491152 180169574 /nfs/dbraw/zinc/16/95/74/180169574.db2.gz QBXFGAWDXHCVLO-UHFFFAOYSA-N 1 3 268.445 2.105 10 0 CEAEHO CNCC1(C[N@@H+](C)CC2CC(O)C2)CCC(C)CC1 ZINC000091491152 180169575 /nfs/dbraw/zinc/16/95/75/180169575.db2.gz QBXFGAWDXHCVLO-UHFFFAOYSA-N 1 3 268.445 2.105 10 0 CEAEHO CCC[NH2+][C@@H]1CCCC[C@H]1CN(C)CC1CC(O)C1 ZINC000091490559 180169675 /nfs/dbraw/zinc/16/96/75/180169675.db2.gz UXSNZQSQGADDKF-BHDPWAOGSA-N 1 3 268.445 2.248 10 0 CEAEHO C[NH+](C)[C@H]1CCCN([C@@H](CN)c2ccc(Cl)s2)C1 ZINC000091394403 180146654 /nfs/dbraw/zinc/14/66/54/180146654.db2.gz SLECYVZKBGWSRI-QWRGUYRKSA-N 1 3 287.860 2.427 10 0 CEAEHO CCC[NH2+][C@H](C)C(C)(C)CN1CCN(C(C)C)CC1 ZINC000091402942 180147172 /nfs/dbraw/zinc/14/71/72/180147172.db2.gz PTYATVZFWNQUPQ-OAHLLOKOSA-N 1 3 269.477 2.427 10 0 CEAEHO CCC[NH2+][C@H](C)C(C)(C)CN(CCCO)C(C)C ZINC000091404451 180147442 /nfs/dbraw/zinc/14/74/42/180147442.db2.gz JBRGBKDXEUXVNL-CQSZACIVSA-N 1 3 258.450 2.494 10 0 CEAEHO CC[NH2+][C@@H](C)C(C)(C)CN1CCN(C(C)C)CC1 ZINC000091402944 180147521 /nfs/dbraw/zinc/14/75/21/180147521.db2.gz VURSJKAYJREGEC-AWEZNQCLSA-N 1 3 255.450 2.037 10 0 CEAEHO CCn1cc(C[C@@H]([NH3+])[C@](C)(CC)N2CCCC2)cn1 ZINC000091605031 180204551 /nfs/dbraw/zinc/20/45/51/180204551.db2.gz CZDYLQNQVZCHMR-CABCVRRESA-N 1 3 264.417 2.037 10 0 CEAEHO CC(C)NCc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000092003620 180304234 /nfs/dbraw/zinc/30/42/34/180304234.db2.gz YQKAHUQTJCTYLA-CABCVRRESA-N 1 3 291.439 2.446 10 0 CEAEHO CC(C)NCc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000092003620 180304236 /nfs/dbraw/zinc/30/42/36/180304236.db2.gz YQKAHUQTJCTYLA-CABCVRRESA-N 1 3 291.439 2.446 10 0 CEAEHO CCCN[C@](C)(CO)C[C@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092090268 180322298 /nfs/dbraw/zinc/32/22/98/180322298.db2.gz UBGRKYFYKITKBL-XGUBFFRZSA-N 1 3 256.434 2.103 10 0 CEAEHO CCCN[C@](C)(CO)C[C@H](C)[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092090268 180322301 /nfs/dbraw/zinc/32/23/01/180322301.db2.gz UBGRKYFYKITKBL-XGUBFFRZSA-N 1 3 256.434 2.103 10 0 CEAEHO CCN(CC)Cc1ccccc1NC(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092203743 180343424 /nfs/dbraw/zinc/34/34/24/180343424.db2.gz AOTCVCJMZFVAII-ZFWWWQNUSA-N 1 3 287.407 2.370 10 0 CEAEHO COc1ccc2c(c1)[C@H](N1C[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000092387318 180374410 /nfs/dbraw/zinc/37/44/10/180374410.db2.gz YPTIBYLRSCGBHN-JKIFEVAISA-N 1 3 272.392 2.224 10 0 CEAEHO CC(C)[C@H]1CSC(NCC2CC[NH+](C)CC2)=N1 ZINC000092402479 180377407 /nfs/dbraw/zinc/37/74/07/180377407.db2.gz OVGQAIORTZXYBT-GFCCVEGCSA-N 1 3 255.431 2.045 10 0 CEAEHO CCC[NH+](CCC)CCCC(=O)N[C@H]1CCCN(CC)C1 ZINC000107347644 186170175 /nfs/dbraw/zinc/17/01/75/186170175.db2.gz HVPBJHHUCMEGDG-INIZCTEOSA-N 1 3 297.487 2.489 10 0 CEAEHO CCC[NH+](CCC)CCCC(=O)N1CC[C@@H](N(C)C)C1 ZINC000107352834 186171179 /nfs/dbraw/zinc/17/11/79/186171179.db2.gz LCZCBQMIIMFCGG-OAHLLOKOSA-N 1 3 283.460 2.051 10 0 CEAEHO CNCc1cc(OCCC[NH+](C)C)c2ccccc2n1 ZINC000109590670 186265267 /nfs/dbraw/zinc/26/52/67/186265267.db2.gz RHDVMRKSNKZRLF-UHFFFAOYSA-N 1 3 273.380 2.285 10 0 CEAEHO COC(=O)C[C@@H]1CCCCN1Cc1ccc(F)cc1C[NH3+] ZINC000109604171 186267289 /nfs/dbraw/zinc/26/72/89/186267289.db2.gz XLHQZHYGXRHRDL-HNNXBMFYSA-N 1 3 294.370 2.202 10 0 CEAEHO COc1ccc([C@H]([C@@H](C)[NH3+])N2CCN(C)C(C)(C)C2)cc1 ZINC000110704705 186314421 /nfs/dbraw/zinc/31/44/21/186314421.db2.gz VDKHMLKETKHVBN-CJNGLKHVSA-N 1 3 291.439 2.110 10 0 CEAEHO CCOc1cccc([C@H](C[NH3+])N2CCN(C)[C@@H](CC)C2)c1 ZINC000110710079 186315908 /nfs/dbraw/zinc/31/59/08/186315908.db2.gz WDBCVWYUVVYEDQ-RDJZCZTQSA-N 1 3 291.439 2.111 10 0 CEAEHO C[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CCN(C)C(C)(C)C1 ZINC000110717148 186316554 /nfs/dbraw/zinc/31/65/54/186316554.db2.gz IMFONBICKLPSAG-GDBMZVCRSA-N 1 3 275.440 2.362 10 0 CEAEHO CC[C@H]1CN([C@@H](C[NH3+])c2cc(C)ccc2C)CCN1C ZINC000110709871 186316597 /nfs/dbraw/zinc/31/65/97/186316597.db2.gz IJYUJRQINISYNR-RDJZCZTQSA-N 1 3 275.440 2.329 10 0 CEAEHO CCC[NH2+]Cc1cc(CN(C)CCN(C)C)oc1C ZINC000111149734 186361279 /nfs/dbraw/zinc/36/12/79/186361279.db2.gz JNRXTGOWARSOTG-UHFFFAOYSA-N 1 3 267.417 2.081 10 0 CEAEHO CCOCCN(CC)CC[C@H]([NH3+])c1ccccc1 ZINC000111122879 186354689 /nfs/dbraw/zinc/35/46/89/186354689.db2.gz IKLHEHMDCSIVEE-HNNXBMFYSA-N 1 3 250.386 2.435 10 0 CEAEHO CCOCC[N@H+](CC)CC[C@H](N)c1ccccc1 ZINC000111122879 186354691 /nfs/dbraw/zinc/35/46/91/186354691.db2.gz IKLHEHMDCSIVEE-HNNXBMFYSA-N 1 3 250.386 2.435 10 0 CEAEHO CCOCC[N@@H+](CC)CC[C@H](N)c1ccccc1 ZINC000111122879 186354693 /nfs/dbraw/zinc/35/46/93/186354693.db2.gz IKLHEHMDCSIVEE-HNNXBMFYSA-N 1 3 250.386 2.435 10 0 CEAEHO CC[C@H](C)C[C@@](CC)(CN)[N@H+](C)CCCN(C)C ZINC000111133861 186355949 /nfs/dbraw/zinc/35/59/49/186355949.db2.gz GGVMGNGDTXBJNP-GJZGRUSLSA-N 1 3 257.466 2.414 10 0 CEAEHO CC[C@H](C)C[C@@](CC)(CN)[N@@H+](C)CCCN(C)C ZINC000111133861 186355951 /nfs/dbraw/zinc/35/59/51/186355951.db2.gz GGVMGNGDTXBJNP-GJZGRUSLSA-N 1 3 257.466 2.414 10 0 CEAEHO CCC[C@@H]1CC[C@@H]([NH2+]C)[C@H](N(C)CCN(C)C)C1 ZINC000111134451 186357251 /nfs/dbraw/zinc/35/72/51/186357251.db2.gz YXRZLGHEWSXWHU-RBSFLKMASA-N 1 3 255.450 2.037 10 0 CEAEHO CCC[NH2+][C@@H]1CCCCC[C@H]1N(C)CCN(C)C ZINC000111135514 186357673 /nfs/dbraw/zinc/35/76/73/186357673.db2.gz ALEFNYWLQSJRSB-HUUCEWRRSA-N 1 3 255.450 2.181 10 0 CEAEHO CCCNCc1nc(C(C)C)ncc1N(C)CC[NH+](C)C ZINC000111149051 186359366 /nfs/dbraw/zinc/35/93/66/186359366.db2.gz YLURVRONAWQOCG-UHFFFAOYSA-N 1 3 293.459 2.097 10 0 CEAEHO C[C@@H](C[NH2+]C(C)(C)C)CN(C)C[C@@H]1CCCOC1 ZINC000111174818 186364980 /nfs/dbraw/zinc/36/49/80/186364980.db2.gz FZRXDYQDNYCOGY-KBPBESRZSA-N 1 3 256.434 2.369 10 0 CEAEHO C(C[C@@H]1CCCO1)N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250646153 539967188 /nfs/dbraw/zinc/96/71/88/539967188.db2.gz JXLGATKKFURHDF-GBJTYRQASA-N 1 3 252.402 2.066 10 0 CEAEHO C(C[C@@H]1CCCO1)N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250646150 539967222 /nfs/dbraw/zinc/96/72/22/539967222.db2.gz JXLGATKKFURHDF-BYNSBNAKSA-N 1 3 252.402 2.066 10 0 CEAEHO COc1cccc([C@@H](CN[C@@H]2CCC[NH2+]CC2)N(C)C)c1 ZINC000133525878 366232292 /nfs/dbraw/zinc/23/22/92/366232292.db2.gz KIJGKXHYORIQLE-NVXWUHKLSA-N 1 3 291.439 2.030 10 0 CEAEHO C[C@H](COCc1ccccc1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000390517795 540390768 /nfs/dbraw/zinc/39/07/68/540390768.db2.gz DOKJSBAJAKZJOK-BMFZPTHFSA-N 1 3 262.397 2.451 10 0 CEAEHO CCC[C@H](C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)N(C)C ZINC000162616918 367173556 /nfs/dbraw/zinc/17/35/56/367173556.db2.gz PRYDOPYTDAMHAJ-HZPDHXFCSA-N 1 3 297.487 2.201 10 0 CEAEHO CCC[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)N(C)C ZINC000162616918 367173562 /nfs/dbraw/zinc/17/35/62/367173562.db2.gz PRYDOPYTDAMHAJ-HZPDHXFCSA-N 1 3 297.487 2.201 10 0 CEAEHO CCC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)N(C)C ZINC000162616505 367173645 /nfs/dbraw/zinc/17/36/45/367173645.db2.gz PRYDOPYTDAMHAJ-HOTGVXAUSA-N 1 3 297.487 2.201 10 0 CEAEHO CCC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)N(C)C ZINC000162616505 367173649 /nfs/dbraw/zinc/17/36/49/367173649.db2.gz PRYDOPYTDAMHAJ-HOTGVXAUSA-N 1 3 297.487 2.201 10 0 CEAEHO C[C@@H]1CC(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)C[C@@H](C)O1 ZINC000343585566 367900465 /nfs/dbraw/zinc/90/04/65/367900465.db2.gz BVOQBXMWBOMXRS-XOUADPBQSA-N 1 3 266.429 2.406 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCSc3ccccc3)C[C@H]12 ZINC000261558242 371645702 /nfs/dbraw/zinc/64/57/02/371645702.db2.gz DBNBYFAWUNPPNB-VHDGCEQUSA-N 1 3 262.422 2.448 10 0 CEAEHO Cc1ccc(C)c(OCCN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261705950 371707108 /nfs/dbraw/zinc/70/71/08/371707108.db2.gz IYYWYKYXPCFQIV-XHSDSOJGSA-N 1 3 274.408 2.351 10 0 CEAEHO CCC[C@](C)(N)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000262718188 371901693 /nfs/dbraw/zinc/90/16/93/371901693.db2.gz XGYFRFAOGGLHAX-INIZCTEOSA-N 1 3 283.460 2.084 10 0 CEAEHO CCC[C@H](N)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000262905051 371920683 /nfs/dbraw/zinc/92/06/83/371920683.db2.gz BWUIZQCFAPFWAO-NSHDSACASA-N 1 3 289.301 2.230 10 0 CEAEHO CCc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)s1 ZINC000380177747 375160052 /nfs/dbraw/zinc/16/00/52/375160052.db2.gz ODQYIZCGMBJVNX-BPNCWPANSA-N 1 3 250.411 2.480 10 0 CEAEHO FC(F)(F)C1CCC(C[NH2+][C@H]2CCNC2)CC1 ZINC000414882966 376011763 /nfs/dbraw/zinc/01/17/63/376011763.db2.gz NDGDRECCLGJVDP-ILDUYXDCSA-N 1 3 250.308 2.307 10 0 CEAEHO CC(C)[NH+](CCNC(=O)[C@@]1(N)CCC[C@H](C)C1)C(C)C ZINC000080903411 177725610 /nfs/dbraw/zinc/72/56/10/177725610.db2.gz PVJIBRMMQGLSCZ-GOEBONIOSA-N 1 3 283.460 2.129 10 0 CEAEHO CC[NH2+][C@H]1[C@H](N(C)CCN(C)C)CCCC1(C)C ZINC000094275752 184774342 /nfs/dbraw/zinc/77/43/42/184774342.db2.gz IOAMOBGYVHSSNQ-KGLIPLIRSA-N 1 3 255.450 2.037 10 0 CEAEHO C[NH+](C)[C@@H]1CCCN(c2ccccc2CNC2CC2)C1 ZINC000091394564 135069085 /nfs/dbraw/zinc/06/90/85/135069085.db2.gz QGJOKHADIJWDSK-MRXNPFEDSA-N 1 3 273.424 2.469 10 0 CEAEHO CCCNCc1cccc(N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000091433210 135069970 /nfs/dbraw/zinc/06/99/70/135069970.db2.gz BSWLBXJLBSPDFZ-OAHLLOKOSA-N 1 3 276.428 2.112 10 0 CEAEHO C[NH+](C)[C@@H]1CCCN(c2cc(CN)nc3ccccc32)C1 ZINC000091449195 135070505 /nfs/dbraw/zinc/07/05/05/135070505.db2.gz XWLDXZFIEQRPMR-CQSZACIVSA-N 1 3 284.407 2.224 10 0 CEAEHO CCNCc1c(C)cc(C)nc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000091449211 135070515 /nfs/dbraw/zinc/07/05/15/135070515.db2.gz VJOAYDCFACKBQV-OAHLLOKOSA-N 1 3 290.455 2.338 10 0 CEAEHO [NH3+][C@@H]1C=C[C@H](CN2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000092208899 135075642 /nfs/dbraw/zinc/07/56/42/135075642.db2.gz HSCUFMJABQSVQB-DZGCQCFKSA-N 1 3 291.826 2.365 10 0 CEAEHO [NH3+][C@@H]1C=C[C@H](CN2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000092208959 135076237 /nfs/dbraw/zinc/07/62/37/135076237.db2.gz ICNRQDPZXQLCJF-DZGCQCFKSA-N 1 3 291.826 2.365 10 0 CEAEHO CCC[C@](C)([NH3+])C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000262590667 394620375 /nfs/dbraw/zinc/62/03/75/394620375.db2.gz UTLACDMGIJSFLR-VYDXJSESSA-N 1 3 289.423 2.066 10 0 CEAEHO CCCN1CCN([C@@H](C[NH3+])c2cccc(Cl)c2)CC1 ZINC000020179634 171044005 /nfs/dbraw/zinc/04/40/05/171044005.db2.gz PPMIXQCQEOUWRM-HNNXBMFYSA-N 1 3 281.831 2.367 10 0 CEAEHO CCCN1CCN([C@@H](C[NH3+])c2ccc(Cl)cc2)CC1 ZINC000020179654 171044580 /nfs/dbraw/zinc/04/45/80/171044580.db2.gz RXVZHTJYIWHISY-HNNXBMFYSA-N 1 3 281.831 2.367 10 0 CEAEHO C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)N1C[C@H](C)C[C@@H](C)C1 ZINC000022211702 171373992 /nfs/dbraw/zinc/37/39/92/171373992.db2.gz UPNZHPTZVINGTP-MCIONIFRSA-N 1 3 289.423 2.450 10 0 CEAEHO COc1ccc(C)cc1[C@H](N)CN(C)C1CC[NH+](C)CC1 ZINC000023067810 171408880 /nfs/dbraw/zinc/40/88/80/171408880.db2.gz MTGAOXKQIVRYNT-MRXNPFEDSA-N 1 3 291.439 2.029 10 0 CEAEHO CN(CCOc1ccc(CC[NH3+])cc1)[C@@H]1CCSC1 ZINC000035725172 172379761 /nfs/dbraw/zinc/37/97/61/172379761.db2.gz HFFTXZSVNSTNOK-CQSZACIVSA-N 1 3 280.437 2.004 10 0 CEAEHO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N1CCCN(C)CC1 ZINC000043363934 175024995 /nfs/dbraw/zinc/02/49/95/175024995.db2.gz FKODOIFEQZKTHS-DZGCQCFKSA-N 1 3 265.401 2.004 10 0 CEAEHO CC[C@@H]([NH3+])[C@H](N(CCN(C)C)CC(C)C)C(F)(F)F ZINC000043379259 175031035 /nfs/dbraw/zinc/03/10/35/175031035.db2.gz NRPICWKTJXFOQX-NEPJUHHUSA-N 1 3 283.382 2.174 10 0 CEAEHO Cc1cc(C)cc([C@@H](CN)[N@@H+](C)C2CCN(C)CC2)c1 ZINC000043393840 175034693 /nfs/dbraw/zinc/03/46/93/175034693.db2.gz AYSSVXAOHOVZFS-QGZVFWFLSA-N 1 3 275.440 2.329 10 0 CEAEHO Cc1cc(C)cc([C@@H](CN)[N@H+](C)C2CCN(C)CC2)c1 ZINC000043393840 175034694 /nfs/dbraw/zinc/03/46/94/175034694.db2.gz AYSSVXAOHOVZFS-QGZVFWFLSA-N 1 3 275.440 2.329 10 0 CEAEHO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000045171444 175321315 /nfs/dbraw/zinc/32/13/15/175321315.db2.gz RQRRCUOPBLFXED-BXUZGUMPSA-N 1 3 276.428 2.172 10 0 CEAEHO CCCC[NH+](CCCC)CCCC[C@@](C)(N)C(N)=O ZINC000045380574 175368912 /nfs/dbraw/zinc/36/89/12/175368912.db2.gz GTCOOOORKFWYEY-OAHLLOKOSA-N 1 3 271.449 2.262 10 0 CEAEHO CCC(CC)[N@H+](C)CCCC[C@@](C)(NC1CC1)C(N)=O ZINC000045391506 175374359 /nfs/dbraw/zinc/37/43/59/175374359.db2.gz LPUNCTINQIHMAK-MRXNPFEDSA-N 1 3 283.460 2.273 10 0 CEAEHO CCC(CC)[N@@H+](C)CCCC[C@@](C)(NC1CC1)C(N)=O ZINC000045391506 175374360 /nfs/dbraw/zinc/37/43/60/175374360.db2.gz LPUNCTINQIHMAK-MRXNPFEDSA-N 1 3 283.460 2.273 10 0 CEAEHO CCC(CC)[N@H+](C)CCCC[C@](C)(NC1CC1)C(N)=O ZINC000045391502 175374995 /nfs/dbraw/zinc/37/49/95/175374995.db2.gz LPUNCTINQIHMAK-INIZCTEOSA-N 1 3 283.460 2.273 10 0 CEAEHO CCC(CC)[N@@H+](C)CCCC[C@](C)(NC1CC1)C(N)=O ZINC000045391502 175374997 /nfs/dbraw/zinc/37/49/97/175374997.db2.gz LPUNCTINQIHMAK-INIZCTEOSA-N 1 3 283.460 2.273 10 0 CEAEHO CC[C@@H]1CCC[C@](CN)([N@H+](C)[C@@H]2CCCN(C)C2)C1 ZINC000071124577 176035193 /nfs/dbraw/zinc/03/51/93/176035193.db2.gz QIHSMIDZQGRVHL-OAGGEKHMSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@@H]1CCC[C@](CN)([N@@H+](C)[C@@H]2CCCN(C)C2)C1 ZINC000071124577 176035194 /nfs/dbraw/zinc/03/51/94/176035194.db2.gz QIHSMIDZQGRVHL-OAGGEKHMSA-N 1 3 267.461 2.310 10 0 CEAEHO C[NH2+]C[C@H]1CCN(CC(C)(C)C(=O)Nc2ccccc2)C1 ZINC000071146119 176042827 /nfs/dbraw/zinc/04/28/27/176042827.db2.gz ZEHQLJFEPDIIOC-CQSZACIVSA-N 1 3 289.423 2.193 10 0 CEAEHO CNC[C@H]1CC[N@H+](CC(C)(C)C(=O)Nc2ccccc2)C1 ZINC000071146119 176042829 /nfs/dbraw/zinc/04/28/29/176042829.db2.gz ZEHQLJFEPDIIOC-CQSZACIVSA-N 1 3 289.423 2.193 10 0 CEAEHO CNC[C@H]1CC[N@@H+](CC(C)(C)C(=O)Nc2ccccc2)C1 ZINC000071146119 176042830 /nfs/dbraw/zinc/04/28/30/176042830.db2.gz ZEHQLJFEPDIIOC-CQSZACIVSA-N 1 3 289.423 2.193 10 0 CEAEHO CC[C@@H]1CCCC[C@]1(CN)[NH+]1CCN(C2CC2)CC1 ZINC000071161858 176046354 /nfs/dbraw/zinc/04/63/54/176046354.db2.gz UBYOOEPWPAMBJI-GDBMZVCRSA-N 1 3 265.445 2.064 10 0 CEAEHO CN(C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000071190662 176068736 /nfs/dbraw/zinc/06/87/36/176068736.db2.gz YIUMTOGMBGPMHH-OLMNPRSZSA-N 1 3 288.435 2.308 10 0 CEAEHO CN(C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000071190662 176068737 /nfs/dbraw/zinc/06/87/37/176068737.db2.gz YIUMTOGMBGPMHH-OLMNPRSZSA-N 1 3 288.435 2.308 10 0 CEAEHO CCCNCc1oc(CN(C)C[C@H]2CC[N@H+](C)C2)cc1C ZINC000071192037 176072832 /nfs/dbraw/zinc/07/28/32/176072832.db2.gz YHMDVJWDYNPZRG-HNNXBMFYSA-N 1 3 293.455 2.471 10 0 CEAEHO CCCNCc1oc(CN(C)C[C@H]2CC[N@@H+](C)C2)cc1C ZINC000071192037 176072834 /nfs/dbraw/zinc/07/28/34/176072834.db2.gz YHMDVJWDYNPZRG-HNNXBMFYSA-N 1 3 293.455 2.471 10 0 CEAEHO CCC[NH2+][C@H]1CCCN([C@@H](CC(C)C)CN(C)C)C1 ZINC000071200586 176077616 /nfs/dbraw/zinc/07/76/16/176077616.db2.gz VSRSGKUVGCEYQS-HOTGVXAUSA-N 1 3 269.477 2.427 10 0 CEAEHO CCC[NH2+][C@@H]1CCN([C@@H](CC(C)C)CN(C)C)C1 ZINC000071200587 176077925 /nfs/dbraw/zinc/07/79/25/176077925.db2.gz YURUTTQXJSXBLW-CABCVRRESA-N 1 3 255.450 2.037 10 0 CEAEHO Cc1nccn1CC[N@@H+]1CC(C)(C)NC[C@@H]1C(C)(C)C ZINC000071342878 176130281 /nfs/dbraw/zinc/13/02/81/176130281.db2.gz QDRFFMGCURGJTJ-CQSZACIVSA-N 1 3 278.444 2.290 10 0 CEAEHO Cc1nccn1CC[N@H+]1CC(C)(C)NC[C@@H]1C(C)(C)C ZINC000071342878 176130283 /nfs/dbraw/zinc/13/02/83/176130283.db2.gz QDRFFMGCURGJTJ-CQSZACIVSA-N 1 3 278.444 2.290 10 0 CEAEHO CC(C)C[C@@H]1C[NH2+]C(C)(C)CN1CCCn1ccnc1 ZINC000071342688 176130310 /nfs/dbraw/zinc/13/03/10/176130310.db2.gz NJYVVWBNYCSRDK-OAHLLOKOSA-N 1 3 278.444 2.372 10 0 CEAEHO COc1ccc(OCCN[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000667007650 419510707 /nfs/dbraw/zinc/51/07/07/419510707.db2.gz JIMAWNAPWNKOFV-KBPBESRZSA-N 1 3 278.396 2.052 10 0 CEAEHO C[C@H](NC[C@@H](c1ccccc1)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000577204741 314351922 /nfs/dbraw/zinc/35/19/22/314351922.db2.gz DDAUDCZHAZPHQC-XIRDDKMYSA-N 1 3 275.440 2.267 10 0 CEAEHO [NH3+]CC[C@H](Nc1ccnc2ccccc21)C(F)F ZINC000383433093 321847812 /nfs/dbraw/zinc/84/78/12/321847812.db2.gz ICWATPOWLFNXOH-LBPRGKRZSA-N 1 3 251.280 2.051 10 0 CEAEHO CC(C)C[NH2+]C[C@@H](C)N1CCN(C2CCCC2)CC1 ZINC000052573457 519744308 /nfs/dbraw/zinc/74/43/08/519744308.db2.gz DEIQFDAXLYIREJ-OAHLLOKOSA-N 1 3 267.461 2.181 10 0 CEAEHO CCC[NH2+]Cc1sc(N2CCC[C@H]2CN(C)C)nc1C ZINC000061655590 519975923 /nfs/dbraw/zinc/97/59/23/519975923.db2.gz VJUIOCMKEZCZNR-ZDUSSCGKSA-N 1 3 296.484 2.482 10 0 CEAEHO CCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCOCC2)C1 ZINC000069288288 519986523 /nfs/dbraw/zinc/98/65/23/519986523.db2.gz IREFTHCVDMTSSN-UONOGXRCSA-N 1 3 254.418 2.266 10 0 CEAEHO CCO[C@@H](CN)C[N@H+](CC)Cc1ccccc1C ZINC000062739591 520309572 /nfs/dbraw/zinc/30/95/72/520309572.db2.gz DWGNQDHLFGMYGO-HNNXBMFYSA-N 1 3 250.386 2.181 10 0 CEAEHO CCO[C@@H](CN)C[N@@H+](CC)Cc1ccccc1C ZINC000062739591 520309577 /nfs/dbraw/zinc/30/95/77/520309577.db2.gz DWGNQDHLFGMYGO-HNNXBMFYSA-N 1 3 250.386 2.181 10 0 CEAEHO CC(C)(C)[NH2+]C[C@@]1(CN2CCC[C@@H]2CCCO)CCOC1 ZINC000052763316 518760233 /nfs/dbraw/zinc/76/02/33/518760233.db2.gz DUPCWDOCPHMLLL-NVXWUHKLSA-N 1 3 298.471 2.018 10 0 CEAEHO CC(C)CC[C@@H](C)[NH2+]CCN1CCC[C@@H]1CN(C)C ZINC000061655088 519682301 /nfs/dbraw/zinc/68/23/01/519682301.db2.gz WCPIWBYWUADLIH-HZPDHXFCSA-N 1 3 269.477 2.427 10 0 CEAEHO CC(C)[NH2+]C[C@H]1CC[C@H](CN(C)CCc2ccccn2)O1 ZINC000052423976 519725595 /nfs/dbraw/zinc/72/55/95/519725595.db2.gz AZTUILDTVROBRO-IAGOWNOFSA-N 1 3 291.439 2.102 10 0 CEAEHO CC(C)CN1CCN([C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000055079103 519727309 /nfs/dbraw/zinc/72/73/09/519727309.db2.gz DPHPCODUNLNUMY-JKSUJKDBSA-N 1 3 267.461 2.310 10 0 CEAEHO CC(C)CN1CCN([C@@H]([C@H](C)[NH3+])C(C)(C)C)CC1 ZINC000055101271 519727363 /nfs/dbraw/zinc/72/73/63/519727363.db2.gz VQRCSBSUJDJPHR-KBPBESRZSA-N 1 3 255.450 2.022 10 0 CEAEHO CC(C)CN1CCN([C@]2(C[NH3+])CCC[C@@H](C)C2)CC1 ZINC000055078400 519728429 /nfs/dbraw/zinc/72/84/29/519728429.db2.gz SONIWCVVCDRQQN-HZPDHXFCSA-N 1 3 267.461 2.168 10 0 CEAEHO CC(C)NCc1occc1CN1CCC[C@H]1C[NH+](C)C ZINC000061654415 519730139 /nfs/dbraw/zinc/73/01/39/519730139.db2.gz HSYVPZUFHHYPQX-HNNXBMFYSA-N 1 3 279.428 2.304 10 0 CEAEHO CC(C)C[NH2+]CC[C@@H](C)N1CCN(CC(C)C)CC1 ZINC000055083112 519744198 /nfs/dbraw/zinc/74/41/98/519744198.db2.gz DVMQLEJSLYJYKB-MRXNPFEDSA-N 1 3 269.477 2.284 10 0 CEAEHO CC(C)C[NH2+]C[C@H](OCCN1CCCC1)C(C)C ZINC000052670024 519746192 /nfs/dbraw/zinc/74/61/92/519746192.db2.gz DEYNSGDVCQTHFE-HNNXBMFYSA-N 1 3 256.434 2.369 10 0 CEAEHO CC(C)C[NH2+]Cc1cc2c(cc1OCCN(C)C)OCO2 ZINC000062733920 519747263 /nfs/dbraw/zinc/74/72/63/519747263.db2.gz KVYXVLHFWFYURF-UHFFFAOYSA-N 1 3 294.395 2.101 10 0 CEAEHO CCCN1CCN([C@@H](C[NH3+])c2ccc(F)c(C)c2)CC1 ZINC000050545866 519859477 /nfs/dbraw/zinc/85/94/77/519859477.db2.gz VJANZLNAADLGRH-INIZCTEOSA-N 1 3 279.403 2.162 10 0 CEAEHO CCC[NH2+]C[C@@H](C(C)C)N(CCC)CCN(C)C ZINC000052544098 519919943 /nfs/dbraw/zinc/91/99/43/519919943.db2.gz HRJVWLRABVHCGB-HNNXBMFYSA-N 1 3 257.466 2.284 10 0 CEAEHO CCC[NH2+]C[C@@H](C(C)C)N1CCN([C@@H](C)CC)CC1 ZINC000055074826 519920388 /nfs/dbraw/zinc/92/03/88/519920388.db2.gz RKVMGVQJAKGBPO-HOTGVXAUSA-N 1 3 269.477 2.427 10 0 CEAEHO CCC[NH2+]C[C@@H]1CC[C@@H](CN(C)CCc2ccncc2)O1 ZINC000052483150 519923737 /nfs/dbraw/zinc/92/37/37/519923737.db2.gz ZIMLLTGVLDHPGN-IRXDYDNUSA-N 1 3 291.439 2.103 10 0 CEAEHO CC[NH2+]C[C@@H](c1ccccc1)N(C)C1CCN(C)CC1 ZINC000052419944 519949758 /nfs/dbraw/zinc/94/97/58/519949758.db2.gz VJHCPROVBKIMQE-KRWDZBQOSA-N 1 3 275.440 2.363 10 0 CEAEHO CC[NH2+]C[C@@H]1CC[C@H](CN(CC)Cc2ccncc2)O1 ZINC000052515068 519954261 /nfs/dbraw/zinc/95/42/61/519954261.db2.gz ZZASOWSJBWCSAO-JKSUJKDBSA-N 1 3 277.412 2.061 10 0 CEAEHO CCC[NH2+]Cc1cccc(N2CCN(CC(C)C)CC2)n1 ZINC000055082602 519954458 /nfs/dbraw/zinc/95/44/58/519954458.db2.gz QRCWBXDTTVCVTE-UHFFFAOYSA-N 1 3 290.455 2.359 10 0 CEAEHO CCC[NH2+]Cc1sc(N2CCCN(C)CC2)nc1CC ZINC000054968959 519974742 /nfs/dbraw/zinc/97/47/42/519974742.db2.gz NTFNCCGYHFXNRI-UHFFFAOYSA-N 1 3 296.484 2.347 10 0 CEAEHO CC[NH2+][C@@H](C)c1ccc(F)cc1OCCN(C)C ZINC000062747080 520076159 /nfs/dbraw/zinc/07/61/59/520076159.db2.gz VENBWLUTGHLLGA-NSHDSACASA-N 1 3 254.349 2.437 10 0 CEAEHO CCN[C@](C)(CCCC[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000069516481 520226658 /nfs/dbraw/zinc/22/66/58/520226658.db2.gz QBSFDDKUXGAPGP-MRXNPFEDSA-N 1 3 283.460 2.132 10 0 CEAEHO CCN[C@](C)(CCCC[N@H+]1CCCC(C)(C)C1)C(N)=O ZINC000069516481 520226670 /nfs/dbraw/zinc/22/66/70/520226670.db2.gz QBSFDDKUXGAPGP-MRXNPFEDSA-N 1 3 283.460 2.132 10 0 CEAEHO CCCCC[C@H](C[NH3+])N1CCN([C@@H](C)CC)CC1 ZINC000055064792 520311297 /nfs/dbraw/zinc/31/12/97/520311297.db2.gz USVWQZGPLUFCAK-LSDHHAIUSA-N 1 3 255.450 2.310 10 0 CEAEHO CCCC[NH2+]C[C@H](C)N1CCN([C@@H](C)CC)CC1 ZINC000055075276 520691709 /nfs/dbraw/zinc/69/17/09/520691709.db2.gz LOKFHOISOTZNRC-GJZGRUSLSA-N 1 3 255.450 2.181 10 0 CEAEHO CC[NH+](CC)CCc1nc(C)cc(CNCC(C)C)n1 ZINC000054832389 520712015 /nfs/dbraw/zinc/71/20/15/520712015.db2.gz XFEPVYREKQYTPN-UHFFFAOYSA-N 1 3 278.444 2.415 10 0 CEAEHO CCC[C@H]1C[N@H+](CCn2ccnc2C)[C@@](C)(CC)CN1 ZINC000068701929 521221222 /nfs/dbraw/zinc/22/12/22/521221222.db2.gz PMKJKVXASFLTDU-HOTGVXAUSA-N 1 3 278.444 2.434 10 0 CEAEHO CCC[C@H]1C[N@@H+](CCn2ccnc2C)[C@@](C)(CC)CN1 ZINC000068701929 521221224 /nfs/dbraw/zinc/22/12/24/521221224.db2.gz PMKJKVXASFLTDU-HOTGVXAUSA-N 1 3 278.444 2.434 10 0 CEAEHO CCCN(CCN(C)C)[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000050579217 521657912 /nfs/dbraw/zinc/65/79/12/521657912.db2.gz PZPHESCCCYHPSC-INIZCTEOSA-N 1 3 281.419 2.408 10 0 CEAEHO CCN1CCN(CCCCC[NH2+]CC(C)C)CC1 ZINC000052422461 521679120 /nfs/dbraw/zinc/67/91/20/521679120.db2.gz AVRHRBUQYPLTKR-UHFFFAOYSA-N 1 3 255.450 2.040 10 0 CEAEHO CN(C)C[C@@H]1CCC[N@@H+]1Cc1c2ccccc2oc1CN ZINC000061654397 521837562 /nfs/dbraw/zinc/83/75/62/521837562.db2.gz LRFDXNGSPOWXGF-ZDUSSCGKSA-N 1 3 287.407 2.418 10 0 CEAEHO CN(C)C[C@@H]1CCC[N@H+]1Cc1c2ccccc2oc1CN ZINC000061654397 521837566 /nfs/dbraw/zinc/83/75/66/521837566.db2.gz LRFDXNGSPOWXGF-ZDUSSCGKSA-N 1 3 287.407 2.418 10 0 CEAEHO C[NH+](C)C[C@@H]1CCCN1Cc1c2ccccc2oc1CN ZINC000061654397 521837573 /nfs/dbraw/zinc/83/75/73/521837573.db2.gz LRFDXNGSPOWXGF-ZDUSSCGKSA-N 1 3 287.407 2.418 10 0 CEAEHO C[NH+](C)C[C@@H]1CCCN1c1cc(Cl)ccc1CN ZINC000062787051 521844184 /nfs/dbraw/zinc/84/41/84/521844184.db2.gz XBDZXKFTBJNYHX-ZDUSSCGKSA-N 1 3 267.804 2.329 10 0 CEAEHO C[NH+](C)C[C@H]1CCCN1[C@@H](CN)c1cc2ccccc2o1 ZINC000068811946 521870934 /nfs/dbraw/zinc/87/09/34/521870934.db2.gz RSADQGSJYVXFIO-CABCVRRESA-N 1 3 287.407 2.459 10 0 CEAEHO C[NH2+]C[C@@H]1CC[C@@H](CN(C)Cc2ccc(F)cc2)O1 ZINC000052346220 522058556 /nfs/dbraw/zinc/05/85/56/522058556.db2.gz YILZUWGIVYZMAW-GJZGRUSLSA-N 1 3 266.360 2.025 10 0 CEAEHO C[NH2+]C[C@@H]1CC[C@@H](CN(C)Cc2cccc(F)c2)O1 ZINC000052425380 522059509 /nfs/dbraw/zinc/05/95/09/522059509.db2.gz GXITTYJDEJBNGY-GJZGRUSLSA-N 1 3 266.360 2.025 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@H]([NH3+])c2ccccc2C)CC1 ZINC000055065407 522124402 /nfs/dbraw/zinc/12/44/02/522124402.db2.gz BBJVGCHAVCQMHQ-WBVHZDCISA-N 1 3 275.440 2.411 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000055083433 522124983 /nfs/dbraw/zinc/12/49/83/522124983.db2.gz BXAYSRFOZCFKGA-CRAIPNDOSA-N 1 3 287.451 2.290 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C[NH3+])c2ccccc2)CC1 ZINC000055063874 522132557 /nfs/dbraw/zinc/13/25/57/522132557.db2.gz YFMAHRMSCHNOMP-GDBMZVCRSA-N 1 3 261.413 2.103 10 0 CEAEHO COC[C@H](C)N(C)C[C@@H]1C[C@@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054560173 522594041 /nfs/dbraw/zinc/59/40/41/522594041.db2.gz BDHDKCREBPYYNF-AJNGGQMLSA-N 1 3 256.434 2.353 10 0 CEAEHO CN(CC[NH+]1CCCC1)[C@H]1CCCc2ccccc2[C@@H]1N ZINC000063051473 522832476 /nfs/dbraw/zinc/83/24/76/522832476.db2.gz ZXCLERQHFKSTFS-ROUUACIJSA-N 1 3 287.451 2.419 10 0 CEAEHO CN(CC[NH2+]CC1CCCCC1)C1CCN(C)CC1 ZINC000053344226 522862958 /nfs/dbraw/zinc/86/29/58/522862958.db2.gz BFMDOONILIRLEP-UHFFFAOYSA-N 1 3 267.461 2.182 10 0 CEAEHO CC[C@H]1CCCC[N@@H+]1CC1(CNC)CCOCC1 ZINC000052181312 523020933 /nfs/dbraw/zinc/02/09/33/523020933.db2.gz RXJLNZOXCMOZHB-AWEZNQCLSA-N 1 3 254.418 2.267 10 0 CEAEHO CC[C@H]1CCCC[N@H+]1CC1(CNC)CCOCC1 ZINC000052181312 523020937 /nfs/dbraw/zinc/02/09/37/523020937.db2.gz RXJLNZOXCMOZHB-AWEZNQCLSA-N 1 3 254.418 2.267 10 0 CEAEHO C[C@H](CN1CCCCC1)[NH2+]CC[C@H]1CCCCN1C ZINC000052206006 524333143 /nfs/dbraw/zinc/33/31/43/524333143.db2.gz QBWFBTIETZPQRR-HZPDHXFCSA-N 1 3 267.461 2.325 10 0 CEAEHO Cc1cccc(N2CCN([C@H](C)CCC[NH3+])CC2)c1 ZINC000052418946 524561179 /nfs/dbraw/zinc/56/11/79/524561179.db2.gz QPWSEVLMBIJSMZ-OAHLLOKOSA-N 1 3 261.413 2.244 10 0 CEAEHO Cc1cc(COCCC[NH+](C)C)oc1CNC1CC1 ZINC000052672763 524805036 /nfs/dbraw/zinc/80/50/36/524805036.db2.gz RLWRPYMKVFOTQL-UHFFFAOYSA-N 1 3 266.385 2.308 10 0 CEAEHO Cc1ccc([C@@H](C[NH3+])N2CCN(CC(C)C)CC2)s1 ZINC000055077176 525755869 /nfs/dbraw/zinc/75/58/69/525755869.db2.gz XZYHLSGOYMSRKV-CQSZACIVSA-N 1 3 281.469 2.330 10 0 CEAEHO Cc1ccc([C@H](N)[C@@H](C)[N@@H+]2CCC[C@@H]2CN(C)C)cc1 ZINC000061643502 525960464 /nfs/dbraw/zinc/96/04/64/525960464.db2.gz PASNUHYIPKSXGP-DJIMGWMZSA-N 1 3 275.440 2.409 10 0 CEAEHO Cc1ccc([C@H](N)[C@@H](C)[N@H+]2CCC[C@@H]2CN(C)C)cc1 ZINC000061643502 525960478 /nfs/dbraw/zinc/96/04/78/525960478.db2.gz PASNUHYIPKSXGP-DJIMGWMZSA-N 1 3 275.440 2.409 10 0 CEAEHO c1cc(N2CCC([NH2+]CCN3CCCCC3)CC2)ccn1 ZINC000049574758 526431567 /nfs/dbraw/zinc/43/15/67/526431567.db2.gz PQPSMLRGODPXAP-UHFFFAOYSA-N 1 3 288.439 2.126 10 0 CEAEHO NC(=[NH2+])C[C@H](c1ccccc1)N1CCC[C@@H]1CCCO ZINC000055023434 526817967 /nfs/dbraw/zinc/81/79/67/526817967.db2.gz FMAZOJZVQXMZJE-HUUCEWRRSA-N 1 3 275.396 2.291 10 0 CEAEHO NC(=[NH2+])c1ccc(Cl)cc1OCCN1CCCCC1 ZINC000062789176 526822766 /nfs/dbraw/zinc/82/27/66/526822766.db2.gz WWQFZAQVWHHGPK-UHFFFAOYSA-N 1 3 281.787 2.489 10 0 CEAEHO Cc1ncc(CNCC2([NH+](C)C)CCCCC2)[nH]1 ZINC000054798187 526887167 /nfs/dbraw/zinc/88/71/67/526887167.db2.gz XQQBZQVLAPRLIW-UHFFFAOYSA-N 1 3 250.390 2.072 10 0 CEAEHO [NH3+]Cc1ccc(Cl)cc1N1CCN(CC2CC2)CC1 ZINC000062786916 527252914 /nfs/dbraw/zinc/25/29/14/527252914.db2.gz MSSVFBGEJPWOJA-UHFFFAOYSA-N 1 3 279.815 2.331 10 0 CEAEHO COCC(C)(C)C[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261928314 623662180 /nfs/dbraw/zinc/66/21/80/623662180.db2.gz LEHJSYWRGMSBGI-CVEARBPZSA-N 1 3 276.424 2.333 10 0 CEAEHO COCC(C)(C)C[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261928314 623662183 /nfs/dbraw/zinc/66/21/83/623662183.db2.gz LEHJSYWRGMSBGI-CVEARBPZSA-N 1 3 276.424 2.333 10 0 CEAEHO [NH3+]CCN1CCN([C@H]2CCCCc3ccccc32)CC1 ZINC000038956319 343434857 /nfs/dbraw/zinc/43/48/57/343434857.db2.gz WEXZUXZCSUGEFO-KRWDZBQOSA-N 1 3 273.424 2.030 10 0 CEAEHO CO[C@@H]1CCC[C@@H](N2CC[NH2+]C3(CCCC3)C2)C1 ZINC000085435349 179061785 /nfs/dbraw/zinc/06/17/85/179061785.db2.gz BVIDTPBDVVRLBR-ZIAGYGMSSA-N 1 3 252.402 2.162 10 0 CEAEHO CCC1(CC)CN[C@@H](C)C[N@@H+]1CCn1ccnc1C ZINC000085454309 179066776 /nfs/dbraw/zinc/06/67/76/179066776.db2.gz WLBZIWZTAMGULA-ZDUSSCGKSA-N 1 3 264.417 2.044 10 0 CEAEHO CCC1(CC)CN[C@@H](C)C[N@H+]1CCn1ccnc1C ZINC000085454309 179066777 /nfs/dbraw/zinc/06/67/77/179066777.db2.gz WLBZIWZTAMGULA-ZDUSSCGKSA-N 1 3 264.417 2.044 10 0 CEAEHO Cc1nccn1CC[N@@H+]1C[C@@](C)(C2CC2)NCC1(C)C ZINC000085514529 179086356 /nfs/dbraw/zinc/08/63/56/179086356.db2.gz QOUXLSYCZAUTQJ-INIZCTEOSA-N 1 3 276.428 2.044 10 0 CEAEHO Cc1nccn1CC[N@H+]1C[C@@](C)(C2CC2)NCC1(C)C ZINC000085514529 179086357 /nfs/dbraw/zinc/08/63/57/179086357.db2.gz QOUXLSYCZAUTQJ-INIZCTEOSA-N 1 3 276.428 2.044 10 0 CEAEHO CC[C@]1(C)CN[C@@H](C2CC2)C[N@@H+]1CCn1ccnc1C ZINC000085528384 179090847 /nfs/dbraw/zinc/09/08/47/179090847.db2.gz LLNIPHUWXVEOOW-HZPDHXFCSA-N 1 3 276.428 2.044 10 0 CEAEHO CC[C@]1(C)CN[C@@H](C2CC2)C[N@H+]1CCn1ccnc1C ZINC000085528384 179090851 /nfs/dbraw/zinc/09/08/51/179090851.db2.gz LLNIPHUWXVEOOW-HZPDHXFCSA-N 1 3 276.428 2.044 10 0 CEAEHO CCC1(CC)C[N@H+](CCn2cccn2)[C@@H](C)CCN1 ZINC000085627958 179106987 /nfs/dbraw/zinc/10/69/87/179106987.db2.gz NFDILIRLWGLVHR-AWEZNQCLSA-N 1 3 264.417 2.126 10 0 CEAEHO CCC1(CC)C[N@@H+](CCn2cccn2)[C@@H](C)CCN1 ZINC000085627958 179106988 /nfs/dbraw/zinc/10/69/88/179106988.db2.gz NFDILIRLWGLVHR-AWEZNQCLSA-N 1 3 264.417 2.126 10 0 CEAEHO C[C@]1(C2CC2)C[N@H+](C[C@@H]2CCCCO2)CCCN1 ZINC000085613133 179102463 /nfs/dbraw/zinc/10/24/63/179102463.db2.gz OTZUDEVHLRTAPW-LSDHHAIUSA-N 1 3 252.402 2.020 10 0 CEAEHO C[C@]1(C2CC2)C[N@@H+](C[C@@H]2CCCCO2)CCCN1 ZINC000085613133 179102465 /nfs/dbraw/zinc/10/24/65/179102465.db2.gz OTZUDEVHLRTAPW-LSDHHAIUSA-N 1 3 252.402 2.020 10 0 CEAEHO CC[C@@H]1C[N@H+](CCCOCC(F)(F)F)CCCN1 ZINC000085614651 179103778 /nfs/dbraw/zinc/10/37/78/179103778.db2.gz ILWRICKBJDFVLJ-LLVKDONJSA-N 1 3 268.323 2.029 10 0 CEAEHO CC[C@@H]1C[N@@H+](CCCOCC(F)(F)F)CCCN1 ZINC000085614651 179103780 /nfs/dbraw/zinc/10/37/80/179103780.db2.gz ILWRICKBJDFVLJ-LLVKDONJSA-N 1 3 268.323 2.029 10 0 CEAEHO CCC1(CC)C[N@H+](CCCn2ccnc2)CCCN1 ZINC000085617342 179103974 /nfs/dbraw/zinc/10/39/74/179103974.db2.gz OFXSQKOMPPGATL-UHFFFAOYSA-N 1 3 264.417 2.127 10 0 CEAEHO CCC1(CC)C[N@@H+](CCCn2ccnc2)CCCN1 ZINC000085617342 179103976 /nfs/dbraw/zinc/10/39/76/179103976.db2.gz OFXSQKOMPPGATL-UHFFFAOYSA-N 1 3 264.417 2.127 10 0 CEAEHO CCC1(CC)CN(CCCn2ccnc2)CCC[NH2+]1 ZINC000085617342 179103977 /nfs/dbraw/zinc/10/39/77/179103977.db2.gz OFXSQKOMPPGATL-UHFFFAOYSA-N 1 3 264.417 2.127 10 0 CEAEHO CCN(CC)CCC[NH2+][C@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000085629486 179107599 /nfs/dbraw/zinc/10/75/99/179107599.db2.gz KKJRLLUSZRQLTQ-RDBSUJKOSA-N 1 3 254.418 2.121 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2)[C@@H](CC)CN1 ZINC000086172108 179244109 /nfs/dbraw/zinc/24/41/09/179244109.db2.gz MXMXENWEPUIIRR-JONQDZQNSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2)[C@@H](CC)CN1 ZINC000086172108 179244110 /nfs/dbraw/zinc/24/41/10/179244110.db2.gz MXMXENWEPUIIRR-JONQDZQNSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H](C)[C@@H]1CN([C@@H]2CCCN(C)C2)[C@@H](CC)C[NH2+]1 ZINC000086172108 179244114 /nfs/dbraw/zinc/24/41/14/179244114.db2.gz MXMXENWEPUIIRR-JONQDZQNSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1CN[C@@H](C(C)C)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086173704 179245037 /nfs/dbraw/zinc/24/50/37/179245037.db2.gz QQPPEAIKAZMYBL-OWCLPIDISA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@H]1CN[C@@H](C(C)C)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086173704 179245038 /nfs/dbraw/zinc/24/50/38/179245038.db2.gz QQPPEAIKAZMYBL-OWCLPIDISA-N 1 3 267.461 2.037 10 0 CEAEHO CC(C)[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223091 179250328 /nfs/dbraw/zinc/25/03/28/179250328.db2.gz LNBDZICTBDEZMC-OIISXLGYSA-N 1 3 279.472 2.037 10 0 CEAEHO CC(C)[C@H]1CN[C@](C)(C2CC2)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223091 179250329 /nfs/dbraw/zinc/25/03/29/179250329.db2.gz LNBDZICTBDEZMC-OIISXLGYSA-N 1 3 279.472 2.037 10 0 CEAEHO CC[C@@H]1C[N@H+]([C@@H]2CCCN(CC)C2)[C@H](C(C)C)CN1 ZINC000086225422 179253518 /nfs/dbraw/zinc/25/35/18/179253518.db2.gz FDGQBIACSLYIGE-OAGGEKHMSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1C[N@@H+]([C@@H]2CCCN(CC)C2)[C@H](C(C)C)CN1 ZINC000086225422 179253521 /nfs/dbraw/zinc/25/35/21/179253521.db2.gz FDGQBIACSLYIGE-OAGGEKHMSA-N 1 3 267.461 2.179 10 0 CEAEHO CCC[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086224016 179253758 /nfs/dbraw/zinc/25/37/58/179253758.db2.gz STHHSFNGKDIMEZ-OAGGEKHMSA-N 1 3 267.461 2.179 10 0 CEAEHO CCC[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086224016 179253759 /nfs/dbraw/zinc/25/37/59/179253759.db2.gz STHHSFNGKDIMEZ-OAGGEKHMSA-N 1 3 267.461 2.179 10 0 CEAEHO CCC[C@@H]1CN([C@@H]2CCCN(C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086224016 179253761 /nfs/dbraw/zinc/25/37/61/179253761.db2.gz STHHSFNGKDIMEZ-OAGGEKHMSA-N 1 3 267.461 2.179 10 0 CEAEHO CCCN1CCC([N@@H+]2CC(C)(C)NC[C@@H]2CC)CC1 ZINC000086227326 179254275 /nfs/dbraw/zinc/25/42/75/179254275.db2.gz JRYLPLAKOCKINF-AWEZNQCLSA-N 1 3 267.461 2.323 10 0 CEAEHO CCCN1CCC([N@H+]2CC(C)(C)NC[C@@H]2CC)CC1 ZINC000086227326 179254278 /nfs/dbraw/zinc/25/42/78/179254278.db2.gz JRYLPLAKOCKINF-AWEZNQCLSA-N 1 3 267.461 2.323 10 0 CEAEHO C[C@@H]1CN[C@@H](c2ccccc2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259585 179258369 /nfs/dbraw/zinc/25/83/69/179258369.db2.gz ZZWYFTQCNFYYNX-ZTFGCOKTSA-N 1 3 285.435 2.258 10 0 CEAEHO C[C@@H]1CN[C@@H](c2ccccc2)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259585 179258372 /nfs/dbraw/zinc/25/83/72/179258372.db2.gz ZZWYFTQCNFYYNX-ZTFGCOKTSA-N 1 3 285.435 2.258 10 0 CEAEHO CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259666 179259335 /nfs/dbraw/zinc/25/93/35/179259335.db2.gz ZSWSZPBMDXOXSA-YQQAZPJKSA-N 1 3 279.472 2.322 10 0 CEAEHO C[C@@H]1C[C@H]([NH2+][C@@H](CN(C)C)c2ccccc2)CCN1C ZINC000129853794 365899730 /nfs/dbraw/zinc/89/97/30/365899730.db2.gz IXNRRRANGGKUPG-OIISXLGYSA-N 1 3 275.440 2.362 10 0 CEAEHO CCC[C@@H]1C[N@H+]([C@@H](C)CCN(C)C)[C@H](C(C)C)CN1 ZINC000086255951 179256580 /nfs/dbraw/zinc/25/65/80/179256580.db2.gz RLRQRMIFBSWRHJ-XHSDSOJGSA-N 1 3 269.477 2.425 10 0 CEAEHO CCC[C@@H]1C[N@@H+]([C@@H](C)CCN(C)C)[C@H](C(C)C)CN1 ZINC000086255951 179256582 /nfs/dbraw/zinc/25/65/82/179256582.db2.gz RLRQRMIFBSWRHJ-XHSDSOJGSA-N 1 3 269.477 2.425 10 0 CEAEHO CC[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CC1CCN(C)CC1 ZINC000086258983 179257193 /nfs/dbraw/zinc/25/71/93/179257193.db2.gz OCCCFKPOWXVNRM-DLBZAZTESA-N 1 3 279.472 2.181 10 0 CEAEHO CC[C@H]1CN[C@@](C)(C2CC2)C[N@H+]1CC1CCN(C)CC1 ZINC000086258983 179257194 /nfs/dbraw/zinc/25/71/94/179257194.db2.gz OCCCFKPOWXVNRM-DLBZAZTESA-N 1 3 279.472 2.181 10 0 CEAEHO c1ccc(C[C@H]2CN(CC[C@@H]3CCCO3)CCC[NH2+]2)cc1 ZINC000086291368 179265546 /nfs/dbraw/zinc/26/55/46/179265546.db2.gz WCGFXHDHRACFJP-ROUUACIJSA-N 1 3 288.435 2.462 10 0 CEAEHO CC[C@@H](C)[C@H]1C[N@@H+]([C@@H]2CCC[C@@H]2OC)CCCN1 ZINC000086293508 179267834 /nfs/dbraw/zinc/26/78/34/179267834.db2.gz NLBYXSPJTXIWOZ-TUVASFSCSA-N 1 3 254.418 2.264 10 0 CEAEHO CC[C@@H](C)[C@H]1C[N@H+]([C@@H]2CCC[C@@H]2OC)CCCN1 ZINC000086293508 179267836 /nfs/dbraw/zinc/26/78/36/179267836.db2.gz NLBYXSPJTXIWOZ-TUVASFSCSA-N 1 3 254.418 2.264 10 0 CEAEHO CC[C@@H](C)[C@H]1CN([C@@H]2CCC[C@@H]2OC)CCC[NH2+]1 ZINC000086293508 179267838 /nfs/dbraw/zinc/26/78/38/179267838.db2.gz NLBYXSPJTXIWOZ-TUVASFSCSA-N 1 3 254.418 2.264 10 0 CEAEHO Cc1csc(CCN[C@@H]2CCC[N@@H+](C)CC2)n1 ZINC000086819109 179348004 /nfs/dbraw/zinc/34/80/04/179348004.db2.gz ATZZUNZEMJYPJU-GFCCVEGCSA-N 1 3 253.415 2.068 10 0 CEAEHO Cc1csc(CCN[C@@H]2CCC[N@H+](C)CC2)n1 ZINC000086819109 179348006 /nfs/dbraw/zinc/34/80/06/179348006.db2.gz ATZZUNZEMJYPJU-GFCCVEGCSA-N 1 3 253.415 2.068 10 0 CEAEHO CC(C)[C@H](C[NH2+][C@H]1CCCN(C)CC1)N1CCCC1 ZINC000086817428 179344742 /nfs/dbraw/zinc/34/47/42/179344742.db2.gz ZFFULUFZEJUXAG-HOTGVXAUSA-N 1 3 267.461 2.181 10 0 CEAEHO CCCC[N@H+](C1CC1)[C@@]1(CN)CCCN(CC)CC1 ZINC000086847901 179356480 /nfs/dbraw/zinc/35/64/80/179356480.db2.gz LEJSSNBUHRYVSG-INIZCTEOSA-N 1 3 267.461 2.454 10 0 CEAEHO CCCC[N@@H+](C1CC1)[C@@]1(CN)CCCN(CC)CC1 ZINC000086847901 179356481 /nfs/dbraw/zinc/35/64/81/179356481.db2.gz LEJSSNBUHRYVSG-INIZCTEOSA-N 1 3 267.461 2.454 10 0 CEAEHO CCCN1CCC[C@](CN)([N@@H+]2CCC[C@@H]2C)CC1 ZINC000086847376 179356940 /nfs/dbraw/zinc/35/69/40/179356940.db2.gz HQOGJTHPXVTGKG-GJZGRUSLSA-N 1 3 253.434 2.064 10 0 CEAEHO CCCN1CCC[C@](CN)([N@H+]2CCC[C@@H]2C)CC1 ZINC000086847376 179356943 /nfs/dbraw/zinc/35/69/43/179356943.db2.gz HQOGJTHPXVTGKG-GJZGRUSLSA-N 1 3 253.434 2.064 10 0 CEAEHO CCCN1CCC[C@](CN)([N@H+](CC)C(C)C)CC1 ZINC000086846716 179355080 /nfs/dbraw/zinc/35/50/80/179355080.db2.gz ZDAJXCDHIQRGCY-HNNXBMFYSA-N 1 3 255.450 2.310 10 0 CEAEHO CCCN1CCC[C@](CN)([N@@H+](CC)C(C)C)CC1 ZINC000086846716 179355081 /nfs/dbraw/zinc/35/50/81/179355081.db2.gz ZDAJXCDHIQRGCY-HNNXBMFYSA-N 1 3 255.450 2.310 10 0 CEAEHO CC(C)[NH2+]C[C@H]1CCCN([C@@H]2CCCOCC2)C1 ZINC000086876854 179365346 /nfs/dbraw/zinc/36/53/46/179365346.db2.gz RYOGFEDRUGMTFH-HUUCEWRRSA-N 1 3 254.418 2.266 10 0 CEAEHO C[C@@H]1CCC[C@](C[NH3+])(N2CCN(CC3CC3)CC2)CC1 ZINC000086891022 179366331 /nfs/dbraw/zinc/36/63/31/179366331.db2.gz CIWGJSGYWVMRLM-WBVHZDCISA-N 1 3 279.472 2.312 10 0 CEAEHO CCCN1CCN([C@]2(C[NH3+])CCC[C@H](C)CC2)CC1 ZINC000086890461 179366473 /nfs/dbraw/zinc/36/64/73/179366473.db2.gz MPGGXKYQANDNQC-JKSUJKDBSA-N 1 3 267.461 2.312 10 0 CEAEHO C[C@H]1CCC[C@](CN)([N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC000086891436 179366572 /nfs/dbraw/zinc/36/65/72/179366572.db2.gz LBSVYUQUJUJJHS-HOCLYGCPSA-N 1 3 267.461 2.310 10 0 CEAEHO C[C@H]1CCC[C@](CN)([N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC000086891436 179366574 /nfs/dbraw/zinc/36/65/74/179366574.db2.gz LBSVYUQUJUJJHS-HOCLYGCPSA-N 1 3 267.461 2.310 10 0 CEAEHO C[C@H]1CCC[C@](C[NH3+])(N2CCN(C)C(C)(C)C2)CC1 ZINC000086891436 179366577 /nfs/dbraw/zinc/36/65/77/179366577.db2.gz LBSVYUQUJUJJHS-HOCLYGCPSA-N 1 3 267.461 2.310 10 0 CEAEHO C[C@@H]1CCC[C@@](O)(CNCC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000087064916 179390401 /nfs/dbraw/zinc/39/04/01/179390401.db2.gz MSXWBOSDLYYTNO-PMPSAXMXSA-N 1 3 268.445 2.392 10 0 CEAEHO C[C@@H]1CCC[C@@](O)(CNCC[C@@H]2CCCC[N@H+]2C)C1 ZINC000087064916 179390404 /nfs/dbraw/zinc/39/04/04/179390404.db2.gz MSXWBOSDLYYTNO-PMPSAXMXSA-N 1 3 268.445 2.392 10 0 CEAEHO CCCN[C@H]1COC[C@H]1C[N@H+](C)Cc1ccccc1C ZINC000090566295 180005772 /nfs/dbraw/zinc/00/57/72/180005772.db2.gz VLNSRHMWYOIWKJ-SJORKVTESA-N 1 3 276.424 2.441 10 0 CEAEHO CCCN[C@H]1COC[C@H]1C[N@@H+](C)Cc1ccccc1C ZINC000090566295 180005774 /nfs/dbraw/zinc/00/57/74/180005774.db2.gz VLNSRHMWYOIWKJ-SJORKVTESA-N 1 3 276.424 2.441 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[N@@H+]1CCCC(C)(C)C1 ZINC000090567044 180006324 /nfs/dbraw/zinc/00/63/24/180006324.db2.gz AINFCZSAOGMXAJ-ZIAGYGMSSA-N 1 3 254.418 2.123 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[N@H+]1CCCC(C)(C)C1 ZINC000090567044 180006326 /nfs/dbraw/zinc/00/63/26/180006326.db2.gz AINFCZSAOGMXAJ-ZIAGYGMSSA-N 1 3 254.418 2.123 10 0 CEAEHO CCC[NH2+][C@@H]1COC[C@H]1CN1CCCC(C)(C)C1 ZINC000090567044 180006327 /nfs/dbraw/zinc/00/63/27/180006327.db2.gz AINFCZSAOGMXAJ-ZIAGYGMSSA-N 1 3 254.418 2.123 10 0 CEAEHO CCC[NH2+][C@@H]1COC[C@@H]1CN[C@@H]1C[C@@H]1c1ccccc1 ZINC000090566646 180006933 /nfs/dbraw/zinc/00/69/33/180006933.db2.gz CZCJSIVVYASCRY-YLFCFFPRSA-N 1 3 274.408 2.147 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000090566646 180006935 /nfs/dbraw/zinc/00/69/35/180006935.db2.gz CZCJSIVVYASCRY-YLFCFFPRSA-N 1 3 274.408 2.147 10 0 CEAEHO C[C@]1(C[N@H+](Cc2cccs2)C2CC2)COC[C@@H]1N ZINC000090606829 180011459 /nfs/dbraw/zinc/01/14/59/180011459.db2.gz FHSOEOFTWPQNMH-KBPBESRZSA-N 1 3 266.410 2.076 10 0 CEAEHO C[C@]1(C[N@@H+](Cc2cccs2)C2CC2)COC[C@@H]1N ZINC000090606829 180011462 /nfs/dbraw/zinc/01/14/62/180011462.db2.gz FHSOEOFTWPQNMH-KBPBESRZSA-N 1 3 266.410 2.076 10 0 CEAEHO Cc1ccc2c(c1)C[C@@H](C[NH2+]C[C@@H]1CCN(C3CC3)C1)O2 ZINC000090897475 180056917 /nfs/dbraw/zinc/05/69/17/180056917.db2.gz RKUPLMGRVSBCJK-YOEHRIQHSA-N 1 3 286.419 2.372 10 0 CEAEHO Cc1ccc2c(c1)C[C@@H](CNC[C@@H]1CC[N@@H+](C3CC3)C1)O2 ZINC000090897475 180056919 /nfs/dbraw/zinc/05/69/19/180056919.db2.gz RKUPLMGRVSBCJK-YOEHRIQHSA-N 1 3 286.419 2.372 10 0 CEAEHO Cc1ccc2c(c1)C[C@@H](CNC[C@@H]1CC[N@H+](C3CC3)C1)O2 ZINC000090897475 180056920 /nfs/dbraw/zinc/05/69/20/180056920.db2.gz RKUPLMGRVSBCJK-YOEHRIQHSA-N 1 3 286.419 2.372 10 0 CEAEHO Cc1ccc2c(c1)C[C@H](CN[C@@H](C)CC[NH+](C)C)O2 ZINC000090897738 180056941 /nfs/dbraw/zinc/05/69/41/180056941.db2.gz QUYJJSKYNVXJHV-DZGCQCFKSA-N 1 3 262.397 2.228 10 0 CEAEHO CCCN(CCC[NH3+])C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090896974 180057377 /nfs/dbraw/zinc/05/73/77/180057377.db2.gz MUJGJPLRACBZIS-HNNXBMFYSA-N 1 3 262.397 2.359 10 0 CEAEHO CC[C@@H](CC[NH3+])N1CCN(C[C@H]2Cc3ccccc32)CC1 ZINC000090975966 180079182 /nfs/dbraw/zinc/07/91/82/180079182.db2.gz UGLSHYSQJFXMSM-SJORKVTESA-N 1 3 287.451 2.071 10 0 CEAEHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2c[nH]c3ncccc23)C1 ZINC000091019729 180088203 /nfs/dbraw/zinc/08/82/03/180088203.db2.gz DUTBIGTUQHOLAZ-NWDGAFQWSA-N 1 3 258.369 2.122 10 0 CEAEHO CCC[NH2+][C@H]1CCCC[C@@H]1CN(C)CC1CC(O)C1 ZINC000091490558 180169588 /nfs/dbraw/zinc/16/95/88/180169588.db2.gz UXSNZQSQGADDKF-KNIAUWFNSA-N 1 3 268.445 2.248 10 0 CEAEHO CC[C@@](C)(C[NH2+]C(C)(C)C)CN(C)CC1CC(O)C1 ZINC000091499468 180173649 /nfs/dbraw/zinc/17/36/49/180173649.db2.gz ZTDXMDKFESRLRU-XUJLQICISA-N 1 3 270.461 2.494 10 0 CEAEHO CN(C)[C@H]1CCCN(C(=O)CC[C@H](CC[NH3+])C(C)(C)C)C1 ZINC000091393712 180145773 /nfs/dbraw/zinc/14/57/73/180145773.db2.gz IEFBYBIYTPJYLN-CABCVRRESA-N 1 3 297.487 2.330 10 0 CEAEHO CCC(CC)([C@@H](O)Cc1cnccc1N)[NH+]1CCCC1 ZINC000091634497 180210724 /nfs/dbraw/zinc/21/07/24/180210724.db2.gz VVYASSIDIRDWPK-HNNXBMFYSA-N 1 3 277.412 2.222 10 0 CEAEHO C[C@@H]1CCC[C@@](C(=O)Cc2c[nH+]ccc2N)(N(C)C)C1 ZINC000091650330 180216412 /nfs/dbraw/zinc/21/64/12/180216412.db2.gz VZYFCEVRQGTGGM-MLGOLLRUSA-N 1 3 275.396 2.286 10 0 CEAEHO CCN(Cc1cc(C(=O)OC)c(C)o1)C1CCC([NH3+])CC1 ZINC000091850871 180272318 /nfs/dbraw/zinc/27/23/18/180272318.db2.gz RCKQFGVZGFNJCQ-UHFFFAOYSA-N 1 3 294.395 2.466 10 0 CEAEHO C[NH2+]C1CCC(N(C)Cc2scnc2C)CC1 ZINC000091871096 180276832 /nfs/dbraw/zinc/27/68/32/180276832.db2.gz CGBAXDOVQMTOCC-UHFFFAOYSA-N 1 3 253.415 2.414 10 0 CEAEHO C[NH2+]C1CCC(N(C)CC(=O)Nc2ccccc2)CC1 ZINC000091870561 180277452 /nfs/dbraw/zinc/27/74/52/180277452.db2.gz WWJZOSZYMJVDEL-UHFFFAOYSA-N 1 3 275.396 2.088 10 0 CEAEHO Cc1nc(N2CC[C@H]3CC[C@@H](C2)N3C)sc1[C@@H](C)[NH3+] ZINC000092004654 180305692 /nfs/dbraw/zinc/30/56/92/180305692.db2.gz PCAVLXPRCMDGLB-JLLWLGSASA-N 1 3 280.441 2.144 10 0 CEAEHO Cc1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)sc1[C@@H](C)N ZINC000092004654 180305693 /nfs/dbraw/zinc/30/56/93/180305693.db2.gz PCAVLXPRCMDGLB-JLLWLGSASA-N 1 3 280.441 2.144 10 0 CEAEHO Cc1nc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)sc1[C@@H](C)N ZINC000092004654 180305694 /nfs/dbraw/zinc/30/56/94/180305694.db2.gz PCAVLXPRCMDGLB-JLLWLGSASA-N 1 3 280.441 2.144 10 0 CEAEHO C[C@@H]1C[NH+](CCCC(=O)Nc2cccc(CN)c2)C[C@H]1C ZINC000092082229 180319965 /nfs/dbraw/zinc/31/99/65/180319965.db2.gz DBEOERFLYPRFHY-ZIAGYGMSSA-N 1 3 289.423 2.452 10 0 CEAEHO CC(C)N[C@](C)(CO)C[C@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092090263 180322176 /nfs/dbraw/zinc/32/21/76/180322176.db2.gz IJUDIZMVXOELDK-XGUBFFRZSA-N 1 3 256.434 2.102 10 0 CEAEHO CC(C)N[C@](C)(CO)C[C@H](C)[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092090263 180322179 /nfs/dbraw/zinc/32/21/79/180322179.db2.gz IJUDIZMVXOELDK-XGUBFFRZSA-N 1 3 256.434 2.102 10 0 CEAEHO C[N@H+](C[C@@H]1COc2ccccc21)[C@@H]1CCC[C@@H]1CN ZINC000092304567 180360157 /nfs/dbraw/zinc/36/01/57/180360157.db2.gz GAGXEYVBTVHOKT-UMVBOHGHSA-N 1 3 260.381 2.222 10 0 CEAEHO C[N@@H+](C[C@@H]1COc2ccccc21)[C@@H]1CCC[C@@H]1CN ZINC000092304567 180360160 /nfs/dbraw/zinc/36/01/60/180360160.db2.gz GAGXEYVBTVHOKT-UMVBOHGHSA-N 1 3 260.381 2.222 10 0 CEAEHO C[NH+](C)CCCNC[C@@H]1CSc2ccccc21 ZINC000092274720 180356502 /nfs/dbraw/zinc/35/65/02/180356502.db2.gz KPYZOHCPEMUZSZ-GFCCVEGCSA-N 1 3 250.411 2.417 10 0 CEAEHO C[NH+](C)CC(C)(C)CNC[C@H]1COc2ccccc21 ZINC000092299094 180358376 /nfs/dbraw/zinc/35/83/76/180358376.db2.gz OWRDQAOZWIVEDO-ZDUSSCGKSA-N 1 3 262.397 2.340 10 0 CEAEHO CCC[NH2+][C@@H](C)[C@@H](C)c1nc(CCN(CC)CC)no1 ZINC000109496299 186256859 /nfs/dbraw/zinc/25/68/59/186256859.db2.gz POJCYJWCCLPNCI-OLZOCXBDSA-N 1 3 282.432 2.446 10 0 CEAEHO C[C@@H](N)c1cc(F)ccc1N1CCC[C@H]1C[NH+](C)C ZINC000109571696 186263551 /nfs/dbraw/zinc/26/35/51/186263551.db2.gz MBKQBVZKXYRCIB-YPMHNXCESA-N 1 3 265.376 2.376 10 0 CEAEHO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCCCC[C@@H]2CN)C1 ZINC000109684684 186268908 /nfs/dbraw/zinc/26/89/08/186268908.db2.gz ISUZKRBSERKQTD-QLFBSQMISA-N 1 3 282.428 2.169 10 0 CEAEHO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CCCCC[C@@H]2CN)C1 ZINC000109684684 186268909 /nfs/dbraw/zinc/26/89/09/186268909.db2.gz ISUZKRBSERKQTD-QLFBSQMISA-N 1 3 282.428 2.169 10 0 CEAEHO CCOC(=O)[C@H]1CCCN([C@@H]2CCCCC[C@@H]2C[NH3+])C1 ZINC000109684684 186268911 /nfs/dbraw/zinc/26/89/11/186268911.db2.gz ISUZKRBSERKQTD-QLFBSQMISA-N 1 3 282.428 2.169 10 0 CEAEHO Cc1cc(C)c(CN2CCN([C@@H](C)C[NH3+])CC2)c(C)c1 ZINC000109458399 186253648 /nfs/dbraw/zinc/25/36/48/186253648.db2.gz PEBHVWKSBWHRAC-INIZCTEOSA-N 1 3 275.440 2.077 10 0 CEAEHO CCc1nc(N2CC[C@@H](N3CCCC3)C2)sc1C[NH2+]C ZINC000110275664 186289448 /nfs/dbraw/zinc/28/94/48/186289448.db2.gz ORJFTTIKLGLQSN-GFCCVEGCSA-N 1 3 294.468 2.099 10 0 CEAEHO COc1cc2c(cc1F)nc(N)n2CCC[NH+]1CCCC1 ZINC000110630183 186307285 /nfs/dbraw/zinc/30/72/85/186307285.db2.gz VATUQWKNFKIUBQ-UHFFFAOYSA-N 1 3 292.358 2.252 10 0 CEAEHO CNCC1(C[N@@H+]2CCC[C@H](C)CC2)CCOCC1 ZINC000110810563 186326574 /nfs/dbraw/zinc/32/65/74/186326574.db2.gz SHDYFGLMUDEZRC-AWEZNQCLSA-N 1 3 254.418 2.125 10 0 CEAEHO CNCC1(C[N@H+]2CCC[C@H](C)CC2)CCOCC1 ZINC000110810563 186326575 /nfs/dbraw/zinc/32/65/75/186326575.db2.gz SHDYFGLMUDEZRC-AWEZNQCLSA-N 1 3 254.418 2.125 10 0 CEAEHO Cc1ccc([C@@H](C[NH3+])N2CCN(C(C)C)CC2)cc1F ZINC000110977150 186339501 /nfs/dbraw/zinc/33/95/01/186339501.db2.gz OPOHRESGRJMUSS-MRXNPFEDSA-N 1 3 279.403 2.160 10 0 CEAEHO CC[C@@H]1CN([C@@H](c2cccc(C)c2)[C@@H](C)[NH3+])CCN1C ZINC000110703862 186313925 /nfs/dbraw/zinc/31/39/25/186313925.db2.gz OXGQRBXXRHIUTA-DJIMGWMZSA-N 1 3 275.440 2.409 10 0 CEAEHO Cc1ccccc1[C@H](C[NH3+])N1CCN(C)C(C)(C)C1 ZINC000110705312 186314330 /nfs/dbraw/zinc/31/43/30/186314330.db2.gz MMCBYUBNAVGVIC-HNNXBMFYSA-N 1 3 261.413 2.021 10 0 CEAEHO CC[C@H]1CN(Cc2cc([C@@H](C)[NH3+])ccc2OC)CCN1C ZINC000110715896 186315945 /nfs/dbraw/zinc/31/59/45/186315945.db2.gz POBOHOGLWODHEK-CJNGLKHVSA-N 1 3 291.439 2.241 10 0 CEAEHO CCc1ccc([C@@H]([NH3+])CN2CCN(C)C(C)(C)C2)cc1 ZINC000110716293 186316049 /nfs/dbraw/zinc/31/60/49/186316049.db2.gz GGCWHQGWYLQAQR-INIZCTEOSA-N 1 3 275.440 2.275 10 0 CEAEHO CCC(C)(C)[NH2+]C[C@H](C)N1CCN(C)C(C)(C)C1 ZINC000110757915 186320040 /nfs/dbraw/zinc/32/00/40/186320040.db2.gz MHKMCSAHSQSDBY-ZDUSSCGKSA-N 1 3 255.450 2.179 10 0 CEAEHO CC[C@@H]1CN(CC[NH2+][C@@H](C)c2cccs2)CCN1C ZINC000110757092 186320304 /nfs/dbraw/zinc/32/03/04/186320304.db2.gz AYEXOCPFNBOFFY-UONOGXRCSA-N 1 3 281.469 2.425 10 0 CEAEHO CCC[C@H](C)[NH2+]C[C@@H](C)N1CCN(C)C(C)(C)C1 ZINC000110757973 186320498 /nfs/dbraw/zinc/32/04/98/186320498.db2.gz VEYBTLFNJSWPOB-UONOGXRCSA-N 1 3 255.450 2.179 10 0 CEAEHO CCC(CC)(C[NH2+]C)CN1CCN(C)C(C)(C)C1 ZINC000110747354 186321360 /nfs/dbraw/zinc/32/13/60/186321360.db2.gz MOUORCJZTHJROG-UHFFFAOYSA-N 1 3 255.450 2.038 10 0 CEAEHO CC(C)CNCc1nc(CN(C)CCC[NH+](C)C)cs1 ZINC000111150537 186360495 /nfs/dbraw/zinc/36/04/95/186360495.db2.gz AAGIRAFVQQYNKJ-UHFFFAOYSA-N 1 3 298.500 2.272 10 0 CEAEHO C[C@H](C[C@H](C[NH3+])N(C)CCN(C)C)c1ccccc1 ZINC000111132947 186356272 /nfs/dbraw/zinc/35/62/72/186356272.db2.gz VLGJJNFLIHZGHL-GDBMZVCRSA-N 1 3 263.429 2.001 10 0 CEAEHO CN(C)CCN(C)[C@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000111132474 186356766 /nfs/dbraw/zinc/35/67/66/186356766.db2.gz MQSMHLVYMHNLNI-CYBMUJFWSA-N 1 3 290.238 2.487 10 0 CEAEHO CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N(C)CCN(C)C ZINC000111134622 186357436 /nfs/dbraw/zinc/35/74/36/186357436.db2.gz JBARFBNHAHLFNR-KKUMJFAQSA-N 1 3 255.450 2.037 10 0 CEAEHO CN(CCC[NH+](C)C)[C@@H]1CCCc2ccccc2[C@@H]1N ZINC000111136007 186357596 /nfs/dbraw/zinc/35/75/96/186357596.db2.gz GVDDXKUYXLBXCZ-SJORKVTESA-N 1 3 275.440 2.275 10 0 CEAEHO CC(C)CNCc1nc(N(C)CC[NH+](C)C)ccc1Cl ZINC000111148832 186358377 /nfs/dbraw/zinc/35/83/77/186358377.db2.gz XVLUTBRUXPBOCF-UHFFFAOYSA-N 1 3 298.862 2.478 10 0 CEAEHO CC[NH2+][C@@H](c1ccccc1)[C@H](C)CN(C)CCN(C)C ZINC000111147469 186359134 /nfs/dbraw/zinc/35/91/34/186359134.db2.gz UZJQCVSFOGKJAE-NVXWUHKLSA-N 1 3 277.456 2.467 10 0 CEAEHO Cc1oc(CN(C)CCN(C)C)cc1C[NH2+]C(C)(C)C ZINC000111149632 186360079 /nfs/dbraw/zinc/36/00/79/186360079.db2.gz VXWNCYIEZFFCAY-UHFFFAOYSA-N 1 3 281.444 2.470 10 0 CEAEHO CCC[NH2+]CC(C)(C)CN(C)C[C@@H]1CCCOC1 ZINC000111171904 186364929 /nfs/dbraw/zinc/36/49/29/186364929.db2.gz ZBXWUUAOXJRVST-AWEZNQCLSA-N 1 3 256.434 2.371 10 0 CEAEHO CCC[C@]1(CN(C)C[C@@H]2CCCOC2)CC[NH2+]C1 ZINC000111179200 186366429 /nfs/dbraw/zinc/36/64/29/186366429.db2.gz BNTLNGDSFCQZEX-GJZGRUSLSA-N 1 3 254.418 2.125 10 0 CEAEHO CCC[NH2+][C@@H](C)C1CCN([C@@H](C)C(=O)N(CC)CC)CC1 ZINC000111710006 186449466 /nfs/dbraw/zinc/44/94/66/186449466.db2.gz TUMYDGRLOQMNDW-GJZGRUSLSA-N 1 3 297.487 2.343 10 0 CEAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)N1CCCCCC1 ZINC000114176046 186609495 /nfs/dbraw/zinc/60/94/95/186609495.db2.gz JZBVMNGJIQEELE-JKSUJKDBSA-N 1 3 297.487 2.343 10 0 CEAEHO Cc1cc(F)ccc1CCNC[C@H]1CCC[NH2+]C1 ZINC000132287789 366132329 /nfs/dbraw/zinc/13/23/29/366132329.db2.gz HNJDVLZGXCOXFT-ZDUSSCGKSA-N 1 3 250.361 2.266 10 0 CEAEHO Cc1cc(F)ccc1CC[NH2+]C[C@H]1CCCNC1 ZINC000132287789 366132332 /nfs/dbraw/zinc/13/23/32/366132332.db2.gz HNJDVLZGXCOXFT-ZDUSSCGKSA-N 1 3 250.361 2.266 10 0 CEAEHO N[C@H](CCC[NH3+])c1c(F)cc(Br)cc1F ZINC000575439252 366287204 /nfs/dbraw/zinc/28/72/04/366287204.db2.gz RIGVUBKAASOCSA-SECBINFHSA-N 1 3 279.128 2.466 10 0 CEAEHO CCC[C@@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(C)C ZINC000161600270 367099857 /nfs/dbraw/zinc/09/98/57/367099857.db2.gz JHCMKJJQQXVSPY-XHSDSOJGSA-N 1 3 297.487 2.201 10 0 CEAEHO CCC[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(C)C ZINC000161600270 367099864 /nfs/dbraw/zinc/09/98/64/367099864.db2.gz JHCMKJJQQXVSPY-XHSDSOJGSA-N 1 3 297.487 2.201 10 0 CEAEHO C[C@H](c1ccccn1)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246341896 370948446 /nfs/dbraw/zinc/94/84/46/370948446.db2.gz LNVQPTFSTBCBFP-LSDHHAIUSA-N 1 3 291.439 2.167 10 0 CEAEHO CCO[C@@H]1C[C@H]([NH2+]CCCN(CC)CC)C12CCOCC2 ZINC000186193732 368934450 /nfs/dbraw/zinc/93/44/50/368934450.db2.gz MGJYMRWKBPCMKH-JKSUJKDBSA-N 1 3 298.471 2.282 10 0 CEAEHO CCO[C@@H]1C[C@H](NCCC[NH+](CC)CC)C12CCOCC2 ZINC000186193732 368934453 /nfs/dbraw/zinc/93/44/53/368934453.db2.gz MGJYMRWKBPCMKH-JKSUJKDBSA-N 1 3 298.471 2.282 10 0 CEAEHO CC(C)O[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000248809046 371248205 /nfs/dbraw/zinc/24/82/05/371248205.db2.gz KJZAXTYXQYOLTI-OWCLPIDISA-N 1 3 298.471 2.015 10 0 CEAEHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000262536224 371873365 /nfs/dbraw/zinc/87/33/65/371873365.db2.gz BEMJIPQAHJSVCG-OWCLPIDISA-N 1 3 289.423 2.053 10 0 CEAEHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCC(=O)Nc3ccccc32)C1 ZINC000333324887 205221012 /nfs/dbraw/zinc/22/10/12/205221012.db2.gz VBNPYKOVQASYLB-XUJVJEKNSA-N 1 3 273.380 2.320 10 0 CEAEHO C=COCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000093488561 184683115 /nfs/dbraw/zinc/68/31/15/184683115.db2.gz XEEBBONMAPROQR-SOUVJXGZSA-N 1 3 252.402 2.437 10 0 CEAEHO C[C@H](C[C@@H]1CCCC[NH2+]1)NCCc1cscn1 ZINC000093487043 184683219 /nfs/dbraw/zinc/68/32/19/184683219.db2.gz DVXPPYDAWZHVHM-NEPJUHHUSA-N 1 3 253.415 2.196 10 0 CEAEHO C[C@H](COCc1ccccc1)N[C@@H]1CCC[NH2+]CC1 ZINC000390569890 262219924 /nfs/dbraw/zinc/21/99/24/262219924.db2.gz BHNNANTXYYBERH-GDBMZVCRSA-N 1 3 262.397 2.323 10 0 CEAEHO C[NH2+][C@@H]1[C@@H](N2CCN(CC3CC3)CC2)CCCC1(C)C ZINC000094274454 184774156 /nfs/dbraw/zinc/77/41/56/184774156.db2.gz PPQHGISZRVDBCQ-JKSUJKDBSA-N 1 3 279.472 2.181 10 0 CEAEHO Cc1cc(N2CCN3CCCC[C@@H]3C2)ccc1CC[NH3+] ZINC000094444554 135089028 /nfs/dbraw/zinc/08/90/28/135089028.db2.gz QEWJHNYYDNLUPF-QGZVFWFLSA-N 1 3 273.424 2.171 10 0 CEAEHO Brc1ccccc1CC[NH2+]C1CCNCC1 ZINC000259011199 394599743 /nfs/dbraw/zinc/59/97/43/394599743.db2.gz NROUDWYAVKLFRY-UHFFFAOYSA-N 1 3 283.213 2.333 10 0 CEAEHO Brc1ccccc1CCNC1CC[NH2+]CC1 ZINC000259011199 394599746 /nfs/dbraw/zinc/59/97/46/394599746.db2.gz NROUDWYAVKLFRY-UHFFFAOYSA-N 1 3 283.213 2.333 10 0 CEAEHO C[C@@H](NCCOCC1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000574069935 395625897 /nfs/dbraw/zinc/62/58/97/395625897.db2.gz DQJRKSAIJYVTKS-HIFRSBDPSA-N 1 3 254.418 2.171 10 0 CEAEHO C[C@@H]([NH2+]CCOCC1CCCC1)[C@H]1CCCNC1 ZINC000574069935 395625898 /nfs/dbraw/zinc/62/58/98/395625898.db2.gz DQJRKSAIJYVTKS-HIFRSBDPSA-N 1 3 254.418 2.171 10 0 CEAEHO CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CNC[C@@H]2O)CC1 ZINC000263209064 154035128 /nfs/dbraw/zinc/03/51/28/154035128.db2.gz KBDHEIIQLWDSMS-XGUBFFRZSA-N 1 3 268.445 2.151 10 0 CEAEHO CC(C)(C)[C@@H]1CCC[C@H](NC[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263209064 154035129 /nfs/dbraw/zinc/03/51/29/154035129.db2.gz KBDHEIIQLWDSMS-XGUBFFRZSA-N 1 3 268.445 2.151 10 0 CEAEHO COCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180104493 165296259 /nfs/dbraw/zinc/29/62/59/165296259.db2.gz CIFBITFGKOMBSW-ALOPSCKCSA-N 1 3 274.408 2.418 10 0 CEAEHO COCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180104493 165296262 /nfs/dbraw/zinc/29/62/62/165296262.db2.gz CIFBITFGKOMBSW-ALOPSCKCSA-N 1 3 274.408 2.418 10 0 CEAEHO CCN1CCC([NH2+][C@@H](CN(C)C)c2ccccc2)CC1 ZINC000020129266 171017107 /nfs/dbraw/zinc/01/71/07/171017107.db2.gz HZECSOKSXQCSDI-KRWDZBQOSA-N 1 3 275.440 2.363 10 0 CEAEHO C[C@H]1C[C@H](C)C[NH+](CCC(=O)Nc2ccccc2CN)C1 ZINC000022221320 171378362 /nfs/dbraw/zinc/37/83/62/171378362.db2.gz IGTOSVCDNFRIRF-KBPBESRZSA-N 1 3 289.423 2.452 10 0 CEAEHO O=C(Nc1cccc(CN2CCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000037020581 172883744 /nfs/dbraw/zinc/88/37/44/172883744.db2.gz DPUCCHXEHOTLLP-HNNXBMFYSA-N 1 3 287.407 2.221 10 0 CEAEHO CC(C)Oc1cccc([C@@H](C[NH3+])N2CCCN(C)CC2)c1 ZINC000040640962 174364272 /nfs/dbraw/zinc/36/42/72/174364272.db2.gz KADQUTRUBBJRDB-QGZVFWFLSA-N 1 3 291.439 2.111 10 0 CEAEHO CCN(CC)CC[NH2+]C[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000040669622 174367990 /nfs/dbraw/zinc/36/79/90/174367990.db2.gz HKVCVCJPAFVAAY-HZPDHXFCSA-N 1 3 269.477 2.428 10 0 CEAEHO NC[C@@H](c1cccnc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693747 174377744 /nfs/dbraw/zinc/37/77/44/174377744.db2.gz ZDDBMHHGSPJVFZ-KRWDZBQOSA-N 1 3 288.439 2.032 10 0 CEAEHO CCCN1CCN([C@H](C[NH3+])[C@@H](C)c2ccccc2)CC1 ZINC000042318128 174683393 /nfs/dbraw/zinc/68/33/93/174683393.db2.gz DHOQQWICTPJOQQ-DOTOQJQBSA-N 1 3 275.440 2.145 10 0 CEAEHO CC[C@@H]([NH3+])[C@@H](c1ccncc1)N(CCN(C)C)CC(C)C ZINC000043354820 175022667 /nfs/dbraw/zinc/02/26/67/175022667.db2.gz NPDOSACJLVIANA-IAGOWNOFSA-N 1 3 292.471 2.380 10 0 CEAEHO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N(C)C1CCN(C)CC1 ZINC000043363799 175024868 /nfs/dbraw/zinc/02/48/68/175024868.db2.gz SWEWWNCYVCGELL-GDBMZVCRSA-N 1 3 279.428 2.392 10 0 CEAEHO CC[C@@H]([NH3+])[C@@H](N(CCN(C)C)CC(C)C)C(F)(F)F ZINC000043379263 175030968 /nfs/dbraw/zinc/03/09/68/175030968.db2.gz NRPICWKTJXFOQX-VXGBXAGGSA-N 1 3 283.382 2.174 10 0 CEAEHO CCCN1CCN([C@H](C[NH3+])c2cc(C)cc(C)c2)CC1 ZINC000043393887 175034875 /nfs/dbraw/zinc/03/48/75/175034875.db2.gz OTDDZWOVUDXOQE-QGZVFWFLSA-N 1 3 275.440 2.331 10 0 CEAEHO C[NH2+][C@H](c1ccccc1)[C@@H](C)N1CCN(CC2CC2)CC1 ZINC000043967831 175128944 /nfs/dbraw/zinc/12/89/44/175128944.db2.gz RZNONTLIXXDCGW-QAPCUYQASA-N 1 3 287.451 2.363 10 0 CEAEHO C[NH2+][C@@H](CN1CCN(CC2CC2)CC1)c1ccc(C)cc1 ZINC000043967829 175129126 /nfs/dbraw/zinc/12/91/26/175129126.db2.gz OWLZPGZBNCKLON-SFHVURJKSA-N 1 3 287.451 2.283 10 0 CEAEHO C[C@@H](CNC1=[NH+]C[C@H](c2ccccc2)S1)N(C)C ZINC000045108731 175308941 /nfs/dbraw/zinc/30/89/41/175308941.db2.gz DJOGOWISPFTNJH-WCQYABFASA-N 1 3 263.410 2.370 10 0 CEAEHO C[NH2+][C@@H](C)c1ccc(NC(=O)NC[C@@H](C)N(C)C)cc1 ZINC000045113971 175311254 /nfs/dbraw/zinc/31/12/54/175311254.db2.gz ZCNZUEPZAZFVEP-NEPJUHHUSA-N 1 3 278.400 2.039 10 0 CEAEHO Cc1nn(C)c(C)c1[C@H](C)[NH2+]CC(C)(C)CN(C)C ZINC000045167182 175319475 /nfs/dbraw/zinc/31/94/75/175319475.db2.gz TYBNEIWEBNJZJY-NSHDSACASA-N 1 3 266.433 2.275 10 0 CEAEHO C[C@H]([NH3+])C1CCN(C[C@H]2OCCc3ccccc32)CC1 ZINC000071044419 176029795 /nfs/dbraw/zinc/02/97/95/176029795.db2.gz DASYRNPSUDRLRW-SUMWQHHRSA-N 1 3 274.408 2.360 10 0 CEAEHO c1ccc2c(c1)CCO[C@@H]2CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000071090730 176031200 /nfs/dbraw/zinc/03/12/00/176031200.db2.gz NXFSQECFJVEKRN-RDTXWAMCSA-N 1 3 286.419 2.374 10 0 CEAEHO c1ccc2c(c1)CCO[C@@H]2CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000071090730 176031201 /nfs/dbraw/zinc/03/12/01/176031201.db2.gz NXFSQECFJVEKRN-RDTXWAMCSA-N 1 3 286.419 2.374 10 0 CEAEHO c1ccc2c(c1)CCO[C@@H]2C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000071090730 176031203 /nfs/dbraw/zinc/03/12/03/176031203.db2.gz NXFSQECFJVEKRN-RDTXWAMCSA-N 1 3 286.419 2.374 10 0 CEAEHO CC[C@@H]1CCCC[C@@]1(CN)[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071162239 176046570 /nfs/dbraw/zinc/04/65/70/176046570.db2.gz RTFZFIGXCBZJJC-OAGGEKHMSA-N 1 3 267.461 2.168 10 0 CEAEHO CC[C@@H]1CCCC[C@@]1(CN)[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071162239 176046571 /nfs/dbraw/zinc/04/65/71/176046571.db2.gz RTFZFIGXCBZJJC-OAGGEKHMSA-N 1 3 267.461 2.168 10 0 CEAEHO CC[C@@H]1CCCC[C@@]1(C[NH3+])N1CCN(CC2CC2)CC1 ZINC000071161860 176046732 /nfs/dbraw/zinc/04/67/32/176046732.db2.gz NLSJIXQXJNXJEJ-SJORKVTESA-N 1 3 279.472 2.312 10 0 CEAEHO COc1ccc(C[C@H](C)N2CCC[C@H](C[NH3+])C2)cc1 ZINC000071169805 176050684 /nfs/dbraw/zinc/05/06/84/176050684.db2.gz HLRSQXDGISWDAN-DZGCQCFKSA-N 1 3 262.397 2.297 10 0 CEAEHO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H](CN)C2)cc1 ZINC000071169805 176050685 /nfs/dbraw/zinc/05/06/85/176050685.db2.gz HLRSQXDGISWDAN-DZGCQCFKSA-N 1 3 262.397 2.297 10 0 CEAEHO COc1ccc(C[C@H](C)[N@H+]2CCC[C@H](CN)C2)cc1 ZINC000071169805 176050686 /nfs/dbraw/zinc/05/06/86/176050686.db2.gz HLRSQXDGISWDAN-DZGCQCFKSA-N 1 3 262.397 2.297 10 0 CEAEHO CN(C[C@H]1CC[N@H+](C)C1)c1ccc(F)cc1CNC1CC1 ZINC000071190073 176065895 /nfs/dbraw/zinc/06/58/95/176065895.db2.gz SXLHKUUIESOCIT-ZDUSSCGKSA-N 1 3 291.414 2.466 10 0 CEAEHO CN(C[C@H]1CC[N@@H+](C)C1)c1ccc(F)cc1CNC1CC1 ZINC000071190073 176065896 /nfs/dbraw/zinc/06/58/96/176065896.db2.gz SXLHKUUIESOCIT-ZDUSSCGKSA-N 1 3 291.414 2.466 10 0 CEAEHO CCNCc1cc(CN(C)C[C@@H]2CC[N@H+](C)C2)oc1C ZINC000071191944 176071893 /nfs/dbraw/zinc/07/18/93/176071893.db2.gz DPOYKBRRODNOCV-CQSZACIVSA-N 1 3 279.428 2.081 10 0 CEAEHO CCNCc1cc(CN(C)C[C@@H]2CC[N@@H+](C)C2)oc1C ZINC000071191944 176071894 /nfs/dbraw/zinc/07/18/94/176071894.db2.gz DPOYKBRRODNOCV-CQSZACIVSA-N 1 3 279.428 2.081 10 0 CEAEHO CC(C)C[C@@H](CN(C)C)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000071200583 176077824 /nfs/dbraw/zinc/07/78/24/176077824.db2.gz LSENQFXLBVHFHD-HOTGVXAUSA-N 1 3 269.477 2.425 10 0 CEAEHO CCOC(=O)CCCCC[N@@H+]1C[C@H](CN)CC[C@@H]1C ZINC000071297825 176112592 /nfs/dbraw/zinc/11/25/92/176112592.db2.gz PMEDHKODPJJQTN-KBPBESRZSA-N 1 3 270.417 2.169 10 0 CEAEHO CCOC(=O)CCCCC[N@H+]1C[C@H](CN)CC[C@@H]1C ZINC000071297825 176112594 /nfs/dbraw/zinc/11/25/94/176112594.db2.gz PMEDHKODPJJQTN-KBPBESRZSA-N 1 3 270.417 2.169 10 0 CEAEHO CC(C)[C@@H](CN(C)C)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071401191 176153354 /nfs/dbraw/zinc/15/33/54/176153354.db2.gz QQEGKOFHSVSNQA-JKSUJKDBSA-N 1 3 291.439 2.169 10 0 CEAEHO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(CN(C)C)cc1 ZINC000136356404 419445442 /nfs/dbraw/zinc/44/54/42/419445442.db2.gz WVTFXWZUXCBUAR-AWEZNQCLSA-N 1 3 263.385 2.060 10 0 CEAEHO CCC[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)N(C)C ZINC000137903084 280069858 /nfs/dbraw/zinc/06/98/58/280069858.db2.gz HDUWSIGUTKKUEE-UXLLHSPISA-N 1 3 297.487 2.343 10 0 CEAEHO C[C@@H]([NH2+]CCCc1nccs1)[C@H]1CCCNC1 ZINC000576146993 314246645 /nfs/dbraw/zinc/24/66/45/314246645.db2.gz VJVKJAGUJLSUOR-NEPJUHHUSA-N 1 3 253.415 2.053 10 0 CEAEHO C[C@@H](NCCCc1nccs1)[C@H]1CCC[NH2+]C1 ZINC000576146993 314246649 /nfs/dbraw/zinc/24/66/49/314246649.db2.gz VJVKJAGUJLSUOR-NEPJUHHUSA-N 1 3 253.415 2.053 10 0 CEAEHO CC(C)C[NH2+]CCCCCN1CCN(CC2CC2)CC1 ZINC000052372506 519743183 /nfs/dbraw/zinc/74/31/83/519743183.db2.gz HSGDVKWTSDENMI-UHFFFAOYSA-N 1 3 281.488 2.430 10 0 CEAEHO CC(C)C[NH2+]Cc1cnc(N2CCC[C@H]2CN(C)C)s1 ZINC000061655460 519748320 /nfs/dbraw/zinc/74/83/20/519748320.db2.gz MQMQIQMVRFHOJP-ZDUSSCGKSA-N 1 3 296.484 2.419 10 0 CEAEHO CCC[NH2+]CC1(CN2CC[C@H](O)C2)CCCCC1 ZINC000061711759 519911204 /nfs/dbraw/zinc/91/12/04/519911204.db2.gz NQMDKBDSFXGIED-AWEZNQCLSA-N 1 3 254.418 2.003 10 0 CEAEHO CC[NH2+]C[C@](C)(CC)CN1CCN([C@H](C)CC)CC1 ZINC000055071836 519982000 /nfs/dbraw/zinc/98/20/00/519982000.db2.gz UDIMTZGCNNTCLY-CVEARBPZSA-N 1 3 269.477 2.428 10 0 CEAEHO CC[NH2+]Cc1sc(N2CCC[C@H]2CN(C)C)nc1CC ZINC000061655606 520032875 /nfs/dbraw/zinc/03/28/75/520032875.db2.gz ZMEALKGLHBGWLR-LBPRGKRZSA-N 1 3 296.484 2.345 10 0 CEAEHO CCN[C@H](c1ccccc1)[C@H](C)C[N@@H+]1CC[C@H](O)C1 ZINC000061712053 520211356 /nfs/dbraw/zinc/21/13/56/520211356.db2.gz LAOSFXSHRZEWPN-KBMXLJTQSA-N 1 3 262.397 2.040 10 0 CEAEHO CCN[C@H](c1ccccc1)[C@H](C)C[N@H+]1CC[C@H](O)C1 ZINC000061712053 520211361 /nfs/dbraw/zinc/21/13/61/520211361.db2.gz LAOSFXSHRZEWPN-KBMXLJTQSA-N 1 3 262.397 2.040 10 0 CEAEHO CCO[C@H]1CCCN(Cc2ccccc2C[NH2+]C)C1 ZINC000052372324 520527342 /nfs/dbraw/zinc/52/73/42/520527342.db2.gz HEYJXNVLSWCWJV-INIZCTEOSA-N 1 3 262.397 2.407 10 0 CEAEHO CCC[C@](C)(C[NH3+])CN1CCN(CC(C)C)CC1 ZINC000055081818 521267361 /nfs/dbraw/zinc/26/73/61/521267361.db2.gz PLFVJQPBTLPKHT-OAHLLOKOSA-N 1 3 255.450 2.025 10 0 CEAEHO CCC(C)(C)[N@H+](C)CCCC[C@](C)(NC1CC1)C(N)=O ZINC000069446660 521301433 /nfs/dbraw/zinc/30/14/33/521301433.db2.gz GXJKWRFMCSYURE-INIZCTEOSA-N 1 3 283.460 2.273 10 0 CEAEHO CCC(C)(C)[N@@H+](C)CCCC[C@](C)(NC1CC1)C(N)=O ZINC000069446660 521301445 /nfs/dbraw/zinc/30/14/45/521301445.db2.gz GXJKWRFMCSYURE-INIZCTEOSA-N 1 3 283.460 2.273 10 0 CEAEHO CCCN(CC[NH+](C)C)Cc1cc(CNCC(C)C)no1 ZINC000052544201 521656833 /nfs/dbraw/zinc/65/68/33/521656833.db2.gz ZHKHYZWQKCZLPS-UHFFFAOYSA-N 1 3 296.459 2.194 10 0 CEAEHO CC(C)(C)N1CCN([C@@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055023224 518713750 /nfs/dbraw/zinc/71/37/50/518713750.db2.gz RJZQDZUEQRLQEJ-HNNXBMFYSA-N 1 3 288.439 2.470 10 0 CEAEHO CC(C)[NH2+]C[C@H](C(C)C)N(C)C1CCN(C)CC1 ZINC000052419749 519724334 /nfs/dbraw/zinc/72/43/34/519724334.db2.gz KYJNCPHWHUBWGT-OAHLLOKOSA-N 1 3 255.450 2.035 10 0 CEAEHO CC(C)CN1CCN(CC[NH2+]CC2CCCCC2)CC1 ZINC000055076007 519725901 /nfs/dbraw/zinc/72/59/01/519725901.db2.gz GHGODHDLXWTJRY-UHFFFAOYSA-N 1 3 281.488 2.430 10 0 CEAEHO CC(C)[NH2+]Cc1ccc(CN2CCN(C3CC3)CC2)cc1 ZINC000052371382 519726810 /nfs/dbraw/zinc/72/68/10/519726810.db2.gz IQPPSPAMXRNPIB-UHFFFAOYSA-N 1 3 287.451 2.465 10 0 CEAEHO CC(C)CN1CCN([C@H](c2ccc(F)cc2)[C@H](C)[NH3+])CC1 ZINC000055077391 519727869 /nfs/dbraw/zinc/72/78/69/519727869.db2.gz GABWBSMHRGWAIS-YOEHRIQHSA-N 1 3 293.430 2.488 10 0 CEAEHO CC(C)CN1CCN([C@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055079691 519728025 /nfs/dbraw/zinc/72/80/25/519728025.db2.gz YPSWONXVKJVDQJ-MRXNPFEDSA-N 1 3 288.439 2.327 10 0 CEAEHO CC(C)C[NH2+]CC1(CN2CC[C@H](C)C2)CCOCC1 ZINC000052182201 519742875 /nfs/dbraw/zinc/74/28/75/519742875.db2.gz CGHVENYWUJIVPX-HNNXBMFYSA-N 1 3 268.445 2.371 10 0 CEAEHO CC(C)C[NH2+]CC[C@@H](C)N1CCN(C(C)(C)C)CC1 ZINC000052571723 519744215 /nfs/dbraw/zinc/74/42/15/519744215.db2.gz QPQFRAWUOFDQPQ-OAHLLOKOSA-N 1 3 269.477 2.427 10 0 CEAEHO CC(C)CNCc1cn(CC[N@H+](C)[C@@H](C)C(C)(C)C)nn1 ZINC000052504454 519747888 /nfs/dbraw/zinc/74/78/88/519747888.db2.gz RJYSGQMSPVSKTL-AWEZNQCLSA-N 1 3 295.475 2.390 10 0 CEAEHO CC(C)CNCc1cn(CC[N@@H+](C)[C@@H](C)C(C)(C)C)nn1 ZINC000052504454 519747890 /nfs/dbraw/zinc/74/78/90/519747890.db2.gz RJYSGQMSPVSKTL-AWEZNQCLSA-N 1 3 295.475 2.390 10 0 CEAEHO CC(C)[C@H](C[NH2+]C(C)(C)C)N(C)C1CCN(C)CC1 ZINC000052419754 519815795 /nfs/dbraw/zinc/81/57/95/519815795.db2.gz KONFRXQRQLEDOC-HNNXBMFYSA-N 1 3 269.477 2.425 10 0 CEAEHO CCCC1CCN([C@@]2(CN)CC[N@@H+](C(C)C)C2)CC1 ZINC000050893250 519903487 /nfs/dbraw/zinc/90/34/87/519903487.db2.gz LDPNCCZGLWDUHA-MRXNPFEDSA-N 1 3 267.461 2.310 10 0 CEAEHO CCCC1CCN([C@@]2(CN)CC[N@H+](C(C)C)C2)CC1 ZINC000050893250 519903491 /nfs/dbraw/zinc/90/34/91/519903491.db2.gz LDPNCCZGLWDUHA-MRXNPFEDSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1CN2CCC1CC2 ZINC000054601375 519909800 /nfs/dbraw/zinc/90/98/00/519909800.db2.gz VVRXVRJWEQTPTI-NPYXIHBLSA-N 1 3 277.456 2.076 10 0 CEAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCOC1 ZINC000054629102 519911150 /nfs/dbraw/zinc/91/11/50/519911150.db2.gz WNXFKBDQQAWCFT-AVOUXACISA-N 1 3 252.402 2.018 10 0 CEAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCOC1 ZINC000054629102 519911152 /nfs/dbraw/zinc/91/11/52/519911152.db2.gz WNXFKBDQQAWCFT-AVOUXACISA-N 1 3 252.402 2.018 10 0 CEAEHO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCCOC1 ZINC000054629102 519911154 /nfs/dbraw/zinc/91/11/54/519911154.db2.gz WNXFKBDQQAWCFT-AVOUXACISA-N 1 3 252.402 2.018 10 0 CEAEHO CCC[NH2+]CCC[C@@H](C)N1CCN(C(C)C)CC1 ZINC000052480091 519913519 /nfs/dbraw/zinc/91/35/19/519913519.db2.gz OQUDMGUPEKXZFR-OAHLLOKOSA-N 1 3 255.450 2.181 10 0 CEAEHO CCC[NH2+]Cc1ccccc1CN(CCOC)CCOC ZINC000052571512 519956236 /nfs/dbraw/zinc/95/62/36/519956236.db2.gz JELFXJOCKGFPFE-UHFFFAOYSA-N 1 3 294.439 2.281 10 0 CEAEHO CCC[NH2+]Cc1cnc(N2CCC[C@@H]2CN(C)C)s1 ZINC000061655450 519962997 /nfs/dbraw/zinc/96/29/97/519962997.db2.gz CABQQCQEIJLYNX-GFCCVEGCSA-N 1 3 282.457 2.173 10 0 CEAEHO CC[NH2+]C[C@H](c1ccccc1)N(C)C1CCN(C)CC1 ZINC000052419945 519975799 /nfs/dbraw/zinc/97/57/99/519975799.db2.gz VJHCPROVBKIMQE-QGZVFWFLSA-N 1 3 275.440 2.363 10 0 CEAEHO CCC[NH2+][C@@H]1CCC[C@H]1N1CCN(CC(C)C)CC1 ZINC000055079371 520022209 /nfs/dbraw/zinc/02/22/09/520022209.db2.gz FMFMSAZNQCUGGJ-HZPDHXFCSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1CN(CC)CCO ZINC000054560041 520120183 /nfs/dbraw/zinc/12/01/83/520120183.db2.gz FRKYYOAGLCQNMX-BZUAXINKSA-N 1 3 270.461 2.351 10 0 CEAEHO CCCN(CCN(C)C)C[C@](C)([NH3+])c1ccccc1 ZINC000052883650 521656733 /nfs/dbraw/zinc/65/67/33/521656733.db2.gz BFRHNCGZPGSYSR-INIZCTEOSA-N 1 3 263.429 2.134 10 0 CEAEHO CN(C)C[C@@H]1CCC[N@@H+]1C1(CN)CCCCCC1 ZINC000061643054 521834998 /nfs/dbraw/zinc/83/49/98/521834998.db2.gz KJSYVUOKVJPQJU-AWEZNQCLSA-N 1 3 253.434 2.064 10 0 CEAEHO CN(C)C[C@@H]1CCC[N@H+]1C1(CN)CCCCCC1 ZINC000061643054 521835007 /nfs/dbraw/zinc/83/50/07/521835007.db2.gz KJSYVUOKVJPQJU-AWEZNQCLSA-N 1 3 253.434 2.064 10 0 CEAEHO CN(C)C[C@H]1CCC[N@@H+]1[C@@H]1CCCc2ccccc2[C@@H]1N ZINC000061643521 521874139 /nfs/dbraw/zinc/87/41/39/521874139.db2.gz BFHFNHHEOKSZAU-NXHRZFHOSA-N 1 3 287.451 2.417 10 0 CEAEHO CN(C)C[C@H]1CCC[N@H+]1[C@@H]1CCCc2ccccc2[C@@H]1N ZINC000061643521 521874145 /nfs/dbraw/zinc/87/41/45/521874145.db2.gz BFHFNHHEOKSZAU-NXHRZFHOSA-N 1 3 287.451 2.417 10 0 CEAEHO C[NH2+]Cc1ccc(OCCN(C)[C@@H]2CCSC2)cc1 ZINC000052453364 522123322 /nfs/dbraw/zinc/12/33/22/522123322.db2.gz IOXNQCMGVXPEOU-CQSZACIVSA-N 1 3 280.437 2.222 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](C[NH3+])c2ccccc2OC)CC1 ZINC000055063638 522129138 /nfs/dbraw/zinc/12/91/38/522129138.db2.gz FCWROGPQROWBMC-ZBFHGGJFSA-N 1 3 291.439 2.111 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C)C[NH2+]C2CCCC2)CC1 ZINC000055074951 522132110 /nfs/dbraw/zinc/13/21/10/522132110.db2.gz SWXZGTLUYTZEHK-HUUCEWRRSA-N 1 3 267.461 2.323 10 0 CEAEHO C[NH2+]Cc1oc2ccccc2c1CN(C)CCOC ZINC000052572818 522160955 /nfs/dbraw/zinc/16/09/55/522160955.db2.gz RCDDYPDEEJQTGS-UHFFFAOYSA-N 1 3 262.353 2.230 10 0 CEAEHO CC[C@@H](C)[NH2+]C[C@H](C)N1CCN([C@@H](C)CC)CC1 ZINC000055075234 522228147 /nfs/dbraw/zinc/22/81/47/522228147.db2.gz XNNOAZNTWWTDLI-ILXRZTDVSA-N 1 3 255.450 2.179 10 0 CEAEHO C[NH2+][C@@H]1CCCc2nc(N3CCC[C@@H]3CN(C)C)sc21 ZINC000061655463 522390445 /nfs/dbraw/zinc/39/04/45/522390445.db2.gz UVHWOZCIMYMXCV-VXGBXAGGSA-N 1 3 294.468 2.270 10 0 CEAEHO CN[C@@H]1COc2cc(OCC[NH+]3CCCCC3)ccc21 ZINC000062804179 522397765 /nfs/dbraw/zinc/39/77/65/522397765.db2.gz FZKRFYHDJPFKLB-OAHLLOKOSA-N 1 3 276.380 2.204 10 0 CEAEHO C[NH2+][C@H](C)CCCN1CCN(c2cccc(OC)c2)CC1 ZINC000045599183 522440055 /nfs/dbraw/zinc/44/00/55/522440055.db2.gz TYFXEGSIQSHSLR-OAHLLOKOSA-N 1 3 291.439 2.205 10 0 CEAEHO CC[C@H]1CCC[N@@H+]1CC1(CNC2CC2)CCOCC1 ZINC000052180417 523108883 /nfs/dbraw/zinc/10/88/83/523108883.db2.gz QVKKQLGXMFUHHK-HNNXBMFYSA-N 1 3 266.429 2.410 10 0 CEAEHO CC[C@H]1CCC[N@H+]1CC1(CNC2CC2)CCOCC1 ZINC000052180417 523108895 /nfs/dbraw/zinc/10/88/95/523108895.db2.gz QVKKQLGXMFUHHK-HNNXBMFYSA-N 1 3 266.429 2.410 10 0 CEAEHO COCCN(C)CCOc1ccccc1C[NH2+]CC(C)C ZINC000052572849 523615946 /nfs/dbraw/zinc/61/59/46/523615946.db2.gz LSTSSHVHPOXOJL-UHFFFAOYSA-N 1 3 294.439 2.389 10 0 CEAEHO CN(c1cc(Cl)ccc1C(N)=[NH2+])C1CCN(C)CC1 ZINC000062788759 523632174 /nfs/dbraw/zinc/63/21/74/523632174.db2.gz FNUKFKLYGZGQMF-UHFFFAOYSA-N 1 3 280.803 2.154 10 0 CEAEHO CN1CCC(Oc2ccc(Cl)cc2C(N)=[NH2+])CC1 ZINC000052860385 523782894 /nfs/dbraw/zinc/78/28/94/523782894.db2.gz BAJJPRGFLHOPSK-UHFFFAOYSA-N 1 3 267.760 2.097 10 0 CEAEHO CC[C@H](C)N1CCN(CCCC[C@H](C)[NH2+]C)CC1 ZINC000055065109 523953532 /nfs/dbraw/zinc/95/35/32/523953532.db2.gz GZHUZHILKFJLOS-GJZGRUSLSA-N 1 3 255.450 2.181 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@@H](C)C[NH2+]CC(C)C)CC1 ZINC000055074759 523954549 /nfs/dbraw/zinc/95/45/49/523954549.db2.gz YDGCGQWATZPIKL-HOTGVXAUSA-N 1 3 269.477 2.284 10 0 CEAEHO CC[C@H](C)N1CCN(CC[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000055072435 523954768 /nfs/dbraw/zinc/95/47/68/523954768.db2.gz YWOVBCBHZKTBKE-UONOGXRCSA-N 1 3 255.450 2.166 10 0 CEAEHO CC[C@H](C)N1CCN(c2nc(C)cc(C)c2C[NH3+])CC1 ZINC000055063362 523961834 /nfs/dbraw/zinc/96/18/34/523961834.db2.gz TUKDWMAKNYMDIT-AWEZNQCLSA-N 1 3 276.428 2.078 10 0 CEAEHO C[NH+](C)CC1CCN(Cc2ccc(CNC3CC3)o2)CC1 ZINC000052515304 524049722 /nfs/dbraw/zinc/04/97/22/524049722.db2.gz DDOQALZHDZZSHO-UHFFFAOYSA-N 1 3 291.439 2.305 10 0 CEAEHO C[NH+](C)CC1CCN([C@H]2CNCc3ccccc32)CC1 ZINC000069266404 524050543 /nfs/dbraw/zinc/05/05/43/524050543.db2.gz LMTBRSFWRRTMLA-KRWDZBQOSA-N 1 3 273.424 2.105 10 0 CEAEHO C[C@@H](CCN(C)C)[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000049553776 524479742 /nfs/dbraw/zinc/47/97/42/524479742.db2.gz GDOIKWXPDWJFMG-RDJZCZTQSA-N 1 3 275.440 2.191 10 0 CEAEHO C[C@@H](CC[NH+](C)C)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000049553776 524479750 /nfs/dbraw/zinc/47/97/50/524479750.db2.gz GDOIKWXPDWJFMG-RDJZCZTQSA-N 1 3 275.440 2.191 10 0 CEAEHO Cc1cc(CN2CCC[C@@H]2C[NH+](C)C)oc1CNC1CC1 ZINC000061654759 524683424 /nfs/dbraw/zinc/68/34/24/524683424.db2.gz SMOYBDPSIANXLH-OAHLLOKOSA-N 1 3 291.439 2.366 10 0 CEAEHO C[C@H](N)c1cc(F)ccc1N1CCC[C@@H]1C[NH+](C)C ZINC000061644791 524861222 /nfs/dbraw/zinc/86/12/22/524861222.db2.gz MBKQBVZKXYRCIB-WCQYABFASA-N 1 3 265.376 2.376 10 0 CEAEHO C[C@@H](N)[C@@H]([N@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050514061 525004031 /nfs/dbraw/zinc/00/40/31/525004031.db2.gz ICXKGIAZPOIDDM-UKRRQHHQSA-N 1 3 264.413 2.243 10 0 CEAEHO C[C@@H](N)[C@@H]([N@@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050514061 525004043 /nfs/dbraw/zinc/00/40/43/525004043.db2.gz ICXKGIAZPOIDDM-UKRRQHHQSA-N 1 3 264.413 2.243 10 0 CEAEHO C[C@@H]([NH3+])c1ccc(NC(=O)N2CCC[C@@H]2CN(C)C)cc1 ZINC000061655769 525028659 /nfs/dbraw/zinc/02/86/59/525028659.db2.gz QJTXTPWZDBNESK-IUODEOHRSA-N 1 3 290.411 2.264 10 0 CEAEHO Cc1ccccc1[C@H]([C@@H](C)N)[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061642046 525434569 /nfs/dbraw/zinc/43/45/69/525434569.db2.gz IYGAXUXKUSPRHZ-INMHGKMJSA-N 1 3 275.440 2.409 10 0 CEAEHO Cc1ccccc1[C@H]([C@@H](C)N)[N@H+]1CCC[C@@H]1CN(C)C ZINC000061642046 525434574 /nfs/dbraw/zinc/43/45/74/525434574.db2.gz IYGAXUXKUSPRHZ-INMHGKMJSA-N 1 3 275.440 2.409 10 0 CEAEHO Cc1ccc([C@@H](N)[C@@H](C)[N@@H+]2CCC[C@@H]2CN(C)C)cc1 ZINC000061643503 525766789 /nfs/dbraw/zinc/76/67/89/525766789.db2.gz PASNUHYIPKSXGP-OIISXLGYSA-N 1 3 275.440 2.409 10 0 CEAEHO Cc1ccc([C@@H](N)[C@@H](C)[N@H+]2CCC[C@@H]2CN(C)C)cc1 ZINC000061643503 525766792 /nfs/dbraw/zinc/76/67/92/525766792.db2.gz PASNUHYIPKSXGP-OIISXLGYSA-N 1 3 275.440 2.409 10 0 CEAEHO Cc1ccsc1[C@H](C[NH3+])N1CCN(CC(C)C)CC1 ZINC000055077421 525889466 /nfs/dbraw/zinc/88/94/66/525889466.db2.gz YEXKUPCMHGROEK-AWEZNQCLSA-N 1 3 281.469 2.330 10 0 CEAEHO Cc1ccc([C@H](N)CN2CC[C@H]([NH+]3CCCC3)C2)c(C)c1 ZINC000062979170 525961971 /nfs/dbraw/zinc/96/19/71/525961971.db2.gz GGJPCAGPNFNADP-FUHWJXTLSA-N 1 3 287.451 2.473 10 0 CEAEHO Cc1ccc2c(c1)nc(N)n2CC[NH+]1CCCCC1 ZINC000049575355 526220004 /nfs/dbraw/zinc/22/00/04/526220004.db2.gz WFMJGVVYWOQVBC-UHFFFAOYSA-N 1 3 258.369 2.413 10 0 CEAEHO c1ccc(CN2CCN(CCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000052764567 526470966 /nfs/dbraw/zinc/47/09/66/526470966.db2.gz VJDIJHSDINMTNZ-GOSISDBHSA-N 1 3 287.451 2.336 10 0 CEAEHO NC(=[NH2+])c1cc(Cl)ccc1N1CCN(CC2CC2)CC1 ZINC000052860126 526820722 /nfs/dbraw/zinc/82/07/22/526820722.db2.gz JIYQMGVPLWIQLJ-UHFFFAOYSA-N 1 3 292.814 2.156 10 0 CEAEHO CN1CC[C@H](C[N@H+](C)Cc2cccc3c2NCCC3)C1 ZINC000312738430 628494699 /nfs/dbraw/zinc/49/46/99/628494699.db2.gz UTWWIAPXPCTNIZ-AWEZNQCLSA-N 1 3 273.424 2.428 10 0 CEAEHO CN1CC[C@H](C[N@@H+](C)Cc2cccc3c2NCCC3)C1 ZINC000312738430 628494700 /nfs/dbraw/zinc/49/47/00/628494700.db2.gz UTWWIAPXPCTNIZ-AWEZNQCLSA-N 1 3 273.424 2.428 10 0 CEAEHO CCC[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)N(C)C ZINC000121828299 365620028 /nfs/dbraw/zinc/62/00/28/365620028.db2.gz IGPHWIWWAMIUNK-GJZGRUSLSA-N 1 3 283.460 2.097 10 0 CEAEHO CCC[C@@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)N(C)C ZINC000121828299 365620034 /nfs/dbraw/zinc/62/00/34/365620034.db2.gz IGPHWIWWAMIUNK-GJZGRUSLSA-N 1 3 283.460 2.097 10 0 CEAEHO C[C@H]1CCC[C@@H](c2cncn2CCC[NH+](C)C)N1 ZINC000097010941 185151444 /nfs/dbraw/zinc/15/14/44/185151444.db2.gz GTKMLBMAJBXFBB-STQMWFEESA-N 1 3 250.390 2.038 10 0 CEAEHO CCC[C@H](N)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000040803898 362000971 /nfs/dbraw/zinc/00/09/71/362000971.db2.gz VIFJWQDGBBUSDJ-HNNXBMFYSA-N 1 3 295.471 2.419 10 0 CEAEHO Nc1cc[nH+]cc1N1CCCN(Cc2ccccc2)CC1 ZINC000306498360 344713892 /nfs/dbraw/zinc/71/38/92/344713892.db2.gz DYRJRVVDDWKHJP-UHFFFAOYSA-N 1 3 282.391 2.376 10 0 CEAEHO CC[NH2+][C@@H](C)C[C@H](C)N1CCN(C(C)(C)C)CC1 ZINC000084391181 178879135 /nfs/dbraw/zinc/87/91/35/178879135.db2.gz BPPUPAPSUAYLAF-KBPBESRZSA-N 1 3 255.450 2.179 10 0 CEAEHO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1cccc(CN2CCCC2)c1 ZINC000085361671 179033731 /nfs/dbraw/zinc/03/37/31/179033731.db2.gz AEIRCISCYTYWGG-JKSUJKDBSA-N 1 3 287.407 2.348 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CCn1ccnc1C ZINC000085510330 179085521 /nfs/dbraw/zinc/08/55/21/179085521.db2.gz LSTCYUHNPPGNTL-HZPDHXFCSA-N 1 3 276.428 2.044 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(C2CC2)C[N@H+]1CCn1ccnc1C ZINC000085510330 179085524 /nfs/dbraw/zinc/08/55/24/179085524.db2.gz LSTCYUHNPPGNTL-HZPDHXFCSA-N 1 3 276.428 2.044 10 0 CEAEHO C[C@@]1(C2CC2)C[N@H+](CCCOCC(F)(F)F)CCCN1 ZINC000085613224 179103029 /nfs/dbraw/zinc/10/30/29/179103029.db2.gz ZBKOMDCVYQHMGT-ZDUSSCGKSA-N 1 3 294.361 2.419 10 0 CEAEHO C[C@@]1(C2CC2)C[N@@H+](CCCOCC(F)(F)F)CCCN1 ZINC000085613224 179103030 /nfs/dbraw/zinc/10/30/30/179103030.db2.gz ZBKOMDCVYQHMGT-ZDUSSCGKSA-N 1 3 294.361 2.419 10 0 CEAEHO C[C@@]1(C2CC2)CN(CCCOCC(F)(F)F)CCC[NH2+]1 ZINC000085613224 179103033 /nfs/dbraw/zinc/10/30/33/179103033.db2.gz ZBKOMDCVYQHMGT-ZDUSSCGKSA-N 1 3 294.361 2.419 10 0 CEAEHO CC(C)[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2)[C@@H](C(C)C)CN1 ZINC000086172120 179244280 /nfs/dbraw/zinc/24/42/80/179244280.db2.gz BPWNBHVDIQHWJK-OWCLPIDISA-N 1 3 267.461 2.035 10 0 CEAEHO CC(C)[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2)[C@@H](C(C)C)CN1 ZINC000086172120 179244283 /nfs/dbraw/zinc/24/42/83/179244283.db2.gz BPWNBHVDIQHWJK-OWCLPIDISA-N 1 3 267.461 2.035 10 0 CEAEHO CC(C)[C@@H]1CN([C@@H]2CCCN(C)C2)[C@@H](C(C)C)C[NH2+]1 ZINC000086172120 179244284 /nfs/dbraw/zinc/24/42/84/179244284.db2.gz BPWNBHVDIQHWJK-OWCLPIDISA-N 1 3 267.461 2.035 10 0 CEAEHO CC[C@@H]1CNC2(CCCCC2)C[N@@H+]1C1CCN(C)CC1 ZINC000086217837 179249565 /nfs/dbraw/zinc/24/95/65/179249565.db2.gz YALPJIAVLFXQIH-OAHLLOKOSA-N 1 3 279.472 2.467 10 0 CEAEHO CC[C@@H]1CNC2(CCCCC2)C[N@H+]1C1CCN(C)CC1 ZINC000086217837 179249569 /nfs/dbraw/zinc/24/95/69/179249569.db2.gz YALPJIAVLFXQIH-OAHLLOKOSA-N 1 3 279.472 2.467 10 0 CEAEHO C[C@H]1CN[C@](C)(c2ccccc2)CN1CCC[NH+](C)C ZINC000086217750 179249959 /nfs/dbraw/zinc/24/99/59/179249959.db2.gz KDSDVBJJHMXMNZ-RDJZCZTQSA-N 1 3 275.440 2.147 10 0 CEAEHO C[C@H]1CNC2(CCCCC2)C[N@@H+]1C1CCN(C)CC1 ZINC000086217820 179250149 /nfs/dbraw/zinc/25/01/49/179250149.db2.gz BBRCYLOKEJDMRF-AWEZNQCLSA-N 1 3 265.445 2.077 10 0 CEAEHO C[C@H]1CNC2(CCCCC2)C[N@H+]1C1CCN(C)CC1 ZINC000086217820 179250150 /nfs/dbraw/zinc/25/01/50/179250150.db2.gz BBRCYLOKEJDMRF-AWEZNQCLSA-N 1 3 265.445 2.077 10 0 CEAEHO C[C@H]1CN[C@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259198 179258232 /nfs/dbraw/zinc/25/82/32/179258232.db2.gz MSFHGSRIGSZLDM-JZXOWHBKSA-N 1 3 287.451 2.363 10 0 CEAEHO C[C@H]1CN[C@H](c2ccccc2)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259198 179258234 /nfs/dbraw/zinc/25/82/34/179258234.db2.gz MSFHGSRIGSZLDM-JZXOWHBKSA-N 1 3 287.451 2.363 10 0 CEAEHO CC[C@@H]1C[NH2+][C@H](CC(C)C)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259663 179259447 /nfs/dbraw/zinc/25/94/47/179259447.db2.gz ZSWSZPBMDXOXSA-BFYDXBDKSA-N 1 3 279.472 2.322 10 0 CEAEHO CC[C@H](C)[C@H]1CN(C[C@@H]2CCCCN2C)CCC[NH2+]1 ZINC000086291666 179265988 /nfs/dbraw/zinc/26/59/88/179265988.db2.gz LMBVTENBKFTTNN-HRCADAONSA-N 1 3 267.461 2.181 10 0 CEAEHO [NH3+][C@H]1CC[C@H](NCc2ccc(Br)cc2)C1 ZINC000086397613 179285357 /nfs/dbraw/zinc/28/53/57/179285357.db2.gz OCYGAOSEJBBAER-RYUDHWBXSA-N 1 3 269.186 2.419 10 0 CEAEHO CCC(CC)[N@H+](C)[C@@]1(CN)CCCN(CC)CC1 ZINC000086847164 179356358 /nfs/dbraw/zinc/35/63/58/179356358.db2.gz YXBDEXIQFBNYDQ-HNNXBMFYSA-N 1 3 255.450 2.310 10 0 CEAEHO CCC(CC)[N@@H+](C)[C@@]1(CN)CCCN(CC)CC1 ZINC000086847164 179356359 /nfs/dbraw/zinc/35/63/59/179356359.db2.gz YXBDEXIQFBNYDQ-HNNXBMFYSA-N 1 3 255.450 2.310 10 0 CEAEHO CCN1CCC[C@@H]([NH2+]CCc2ccc(O)cc2)CC1 ZINC000086842474 179354094 /nfs/dbraw/zinc/35/40/94/179354094.db2.gz YXDOVANYQSPWMM-OAHLLOKOSA-N 1 3 262.397 2.399 10 0 CEAEHO CCC[N@H+](C(C)C)[C@]1(CN)CCCN(CC)CC1 ZINC000086846774 179355224 /nfs/dbraw/zinc/35/52/24/179355224.db2.gz JRWWSQGMEQGFEQ-OAHLLOKOSA-N 1 3 255.450 2.310 10 0 CEAEHO CCC[N@@H+](C(C)C)[C@]1(CN)CCCN(CC)CC1 ZINC000086846774 179355226 /nfs/dbraw/zinc/35/52/26/179355226.db2.gz JRWWSQGMEQGFEQ-OAHLLOKOSA-N 1 3 255.450 2.310 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[NH2+]C1(C)CCCCC1 ZINC000090566662 180006220 /nfs/dbraw/zinc/00/62/20/180006220.db2.gz MSOYEZYYJSNWCO-UONOGXRCSA-N 1 3 254.418 2.313 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[N@@H+]1CCC[C@@H]1C(C)C ZINC000090567290 180006841 /nfs/dbraw/zinc/00/68/41/180006841.db2.gz ZDCGFNRMMGYZMC-RBSFLKMASA-N 1 3 254.418 2.121 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[N@H+]1CCC[C@@H]1C(C)C ZINC000090567290 180006844 /nfs/dbraw/zinc/00/68/44/180006844.db2.gz ZDCGFNRMMGYZMC-RBSFLKMASA-N 1 3 254.418 2.121 10 0 CEAEHO c1ccc2c(c1)C[C@H](CN1CCC[C@@H]1[C@@H]1CCC[NH2+]C1)O2 ZINC000090878906 180051979 /nfs/dbraw/zinc/05/19/79/180051979.db2.gz UYQCSMJXPATDPU-BRWVUGGUSA-N 1 3 286.419 2.454 10 0 CEAEHO C[NH2+][C@H](C)C1CCN(C[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090878935 180052895 /nfs/dbraw/zinc/05/28/95/180052895.db2.gz XFAGXBIRFXFDNF-WBMJQRKESA-N 1 3 292.398 2.449 10 0 CEAEHO CCCN(CCC[NH3+])C[C@H]1Cc2cc(F)ccc2O1 ZINC000090879149 180053038 /nfs/dbraw/zinc/05/30/38/180053038.db2.gz CMSOWOUUZAVVBO-CQSZACIVSA-N 1 3 266.360 2.190 10 0 CEAEHO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1C[C@@H]1Cc2ccccc21 ZINC000090978334 180079092 /nfs/dbraw/zinc/07/90/92/180079092.db2.gz BVGGIQRSDIFBSX-SQWLQELKSA-N 1 3 256.393 2.256 10 0 CEAEHO C(C[N@@H+]1CCC[C@H]1C1CCCC1)[C@@H]1CNCCO1 ZINC000091314037 180134025 /nfs/dbraw/zinc/13/40/25/180134025.db2.gz PDWAZYLSBCDYOA-CABCVRRESA-N 1 3 252.402 2.020 10 0 CEAEHO C(C[N@H+]1CCC[C@H]1C1CCCC1)[C@@H]1CNCCO1 ZINC000091314037 180134028 /nfs/dbraw/zinc/13/40/28/180134028.db2.gz PDWAZYLSBCDYOA-CABCVRRESA-N 1 3 252.402 2.020 10 0 CEAEHO CN(C)CCn1ncc(C[NH2+]C(C)(C)C)c1C(F)(F)F ZINC000091338562 180136652 /nfs/dbraw/zinc/13/66/52/180136652.db2.gz QZEYZELITFKMHO-UHFFFAOYSA-N 1 3 292.349 2.352 10 0 CEAEHO CC(C)C[NH2+]Cc1cnn(CCN(C)C)c1C1CC1 ZINC000091338564 180136672 /nfs/dbraw/zinc/13/66/72/180136672.db2.gz PCQKOCDRVCNGQJ-UHFFFAOYSA-N 1 3 264.417 2.068 10 0 CEAEHO C[N@@H+]1CCC[C@@H]1CCOc1cncc(CNC(C)(C)C)n1 ZINC000091434606 180154633 /nfs/dbraw/zinc/15/46/33/180154633.db2.gz HVONQZNHHDEMDA-CQSZACIVSA-N 1 3 292.427 2.228 10 0 CEAEHO C[N@H+]1CCC[C@@H]1CCOc1cncc(CNC(C)(C)C)n1 ZINC000091434606 180154634 /nfs/dbraw/zinc/15/46/34/180154634.db2.gz HVONQZNHHDEMDA-CQSZACIVSA-N 1 3 292.427 2.228 10 0 CEAEHO CCOc1ccc([C@@H](N)CN2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091392012 180144761 /nfs/dbraw/zinc/14/47/61/180144761.db2.gz DKQCABSOFJNOQK-RDJZCZTQSA-N 1 3 291.439 2.111 10 0 CEAEHO Cc1ccc([C@H](N)[C@@H](C)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091392829 180145578 /nfs/dbraw/zinc/14/55/78/180145578.db2.gz LURNGUQDRNGSHC-HYVNUMGLSA-N 1 3 275.440 2.409 10 0 CEAEHO CCC[NH2+][C@H](C)C(C)(C)CN(C)CCN1CCCC1 ZINC000091405037 180147445 /nfs/dbraw/zinc/14/74/45/180147445.db2.gz QAYDKWSAGYIVOU-OAHLLOKOSA-N 1 3 269.477 2.428 10 0 CEAEHO CC[NH2+][C@@H](C)C(C)(C)CN(C)CC1CCOCC1 ZINC000091405183 180147480 /nfs/dbraw/zinc/14/74/80/180147480.db2.gz CYORYHDMXKIKMS-ZDUSSCGKSA-N 1 3 256.434 2.369 10 0 CEAEHO CCN[C@@H](C)C(C)(C)C[N@H+](C)CC1CCOCC1 ZINC000091405183 180147481 /nfs/dbraw/zinc/14/74/81/180147481.db2.gz CYORYHDMXKIKMS-ZDUSSCGKSA-N 1 3 256.434 2.369 10 0 CEAEHO CCN[C@@H](C)C(C)(C)C[N@@H+](C)CC1CCOCC1 ZINC000091405183 180147483 /nfs/dbraw/zinc/14/74/83/180147483.db2.gz CYORYHDMXKIKMS-ZDUSSCGKSA-N 1 3 256.434 2.369 10 0 CEAEHO CCn1cc(C[C@H]([NH3+])[C@](C)(CC)N2CCCC2)cn1 ZINC000091605037 180204479 /nfs/dbraw/zinc/20/44/79/180204479.db2.gz CZDYLQNQVZCHMR-GJZGRUSLSA-N 1 3 264.417 2.037 10 0 CEAEHO CC[C@](C)([C@@H](N)Cc1cnccc1N)[NH+]1CCCCC1 ZINC000091609048 180205953 /nfs/dbraw/zinc/20/59/53/180205953.db2.gz LSSQHKXFLOOOAX-JKSUJKDBSA-N 1 3 276.428 2.188 10 0 CEAEHO CC[C@](C)([C@@H]([NH3+])Cc1cnccc1N)N1CCCCC1 ZINC000091609048 180205954 /nfs/dbraw/zinc/20/59/54/180205954.db2.gz LSSQHKXFLOOOAX-JKSUJKDBSA-N 1 3 276.428 2.188 10 0 CEAEHO C[C@H]1CN2CCCC[C@@H]2CN1CC[NH2+]C1CCCCC1 ZINC000091527978 180180046 /nfs/dbraw/zinc/18/00/46/180180046.db2.gz OSMXUNOFLGENOM-DOTOQJQBSA-N 1 3 279.472 2.467 10 0 CEAEHO CC[NH+](CC)C1([C@H](NC)[C@H]2CCOC2)CCCC1 ZINC000091639432 180212607 /nfs/dbraw/zinc/21/26/07/180212607.db2.gz UCDKNTKMDDRVSV-UONOGXRCSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[NH+](CC)CC[C@@H](Cc1ccn(C(C)C)n1)NC ZINC000091716268 180232480 /nfs/dbraw/zinc/23/24/80/180232480.db2.gz QCVNYYNVKQCXNY-AWEZNQCLSA-N 1 3 266.433 2.326 10 0 CEAEHO CCN(CC)CC[C@@H](Cc1ccn(C(C)C)n1)[NH2+]C ZINC000091716268 180232481 /nfs/dbraw/zinc/23/24/81/180232481.db2.gz QCVNYYNVKQCXNY-AWEZNQCLSA-N 1 3 266.433 2.326 10 0 CEAEHO CCN(CC)CC[C@@H](Cc1csc(C)n1)[NH2+]C ZINC000091716176 180232623 /nfs/dbraw/zinc/23/26/23/180232623.db2.gz WQVDYNRJFFUBPY-LBPRGKRZSA-N 1 3 255.431 2.314 10 0 CEAEHO Cc1cc(C)cc(C[C@H](N)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091720829 180235614 /nfs/dbraw/zinc/23/56/14/180235614.db2.gz MDARXSNBLWEMRB-IKGGRYGDSA-N 1 3 274.408 2.036 10 0 CEAEHO Cc1cc(C)cc(C[C@H](N)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000091720829 180235615 /nfs/dbraw/zinc/23/56/15/180235615.db2.gz MDARXSNBLWEMRB-IKGGRYGDSA-N 1 3 274.408 2.036 10 0 CEAEHO CC[C@@H]1CCCCN1C(=O)CN(CC)C1CCC([NH3+])CC1 ZINC000091850805 180271801 /nfs/dbraw/zinc/27/18/01/180271801.db2.gz OLBGJQWELQKOJS-HWOWSKLDSA-N 1 3 295.471 2.369 10 0 CEAEHO CC[NH2+]C1CCC(N(C)CC(=O)NC(C)(C)CC)CC1 ZINC000091870399 180277477 /nfs/dbraw/zinc/27/74/77/180277477.db2.gz MMCPCYPXRLBQTP-UHFFFAOYSA-N 1 3 283.460 2.144 10 0 CEAEHO C[NH2+]C1CCC(N(C)CC(=O)N2CCCCCCC2)CC1 ZINC000091872856 180278201 /nfs/dbraw/zinc/27/82/01/180278201.db2.gz QEZDCRQOYXOUEY-UHFFFAOYSA-N 1 3 295.471 2.242 10 0 CEAEHO CCNCc1oc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000092003865 180304243 /nfs/dbraw/zinc/30/42/43/180304243.db2.gz GQRYYQBYQJCXPV-CABCVRRESA-N 1 3 291.439 2.366 10 0 CEAEHO CCNCc1oc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C ZINC000092003865 180304245 /nfs/dbraw/zinc/30/42/45/180304245.db2.gz GQRYYQBYQJCXPV-CABCVRRESA-N 1 3 291.439 2.366 10 0 CEAEHO CCCN1CCC[C@@](CN)([N@@H+]2C[C@H](C)[C@H](C)C2)CC1 ZINC000092083016 180319886 /nfs/dbraw/zinc/31/98/86/180319886.db2.gz YGSPZZPTKZDWFV-OWCLPIDISA-N 1 3 267.461 2.168 10 0 CEAEHO CCCN1CCC[C@@](CN)([N@H+]2C[C@H](C)[C@H](C)C2)CC1 ZINC000092083016 180319888 /nfs/dbraw/zinc/31/98/88/180319888.db2.gz YGSPZZPTKZDWFV-OWCLPIDISA-N 1 3 267.461 2.168 10 0 CEAEHO CC(C)C[NH2+]C[C@@]1(CN2C[C@H](C)[C@H](C)C2)CCOC1 ZINC000092088663 180321825 /nfs/dbraw/zinc/32/18/25/180321825.db2.gz IKIFEKKNERKFMU-OWCLPIDISA-N 1 3 268.445 2.227 10 0 CEAEHO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2ccccc2CN2CCCC2)C1 ZINC000092203850 180343760 /nfs/dbraw/zinc/34/37/60/180343760.db2.gz DBCAJMXXJZDLNH-UKRRQHHQSA-N 1 3 285.391 2.124 10 0 CEAEHO C[NH2+]C[C@H]1CCN(C[C@@H]2CSc3ccccc32)C1 ZINC000092290513 180357657 /nfs/dbraw/zinc/35/76/57/180357657.db2.gz XDIDTKFTWVIZCB-CHWSQXEVSA-N 1 3 262.422 2.417 10 0 CEAEHO CC[NH+](CC)C[C@H](C)NC[C@H]1COc2ccccc21 ZINC000092300584 180358612 /nfs/dbraw/zinc/35/86/12/180358612.db2.gz LNMFXYCNZVTKFQ-KBPBESRZSA-N 1 3 262.397 2.483 10 0 CEAEHO CCNc1cccc(CN2CCC(C[NH+](C)C)CC2)n1 ZINC000092368979 180370107 /nfs/dbraw/zinc/37/01/07/180370107.db2.gz MKDBEFGCBOOIAT-UHFFFAOYSA-N 1 3 276.428 2.287 10 0 CEAEHO CNc1ccnc(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000092419091 180382512 /nfs/dbraw/zinc/38/25/12/180382512.db2.gz ZSJKSFMBVFOFPU-UHFFFAOYSA-N 1 3 288.439 2.431 10 0 CEAEHO CCOC(=O)C1CCN([C@@H]2C[C@H](CC)CC[C@@H]2C[NH3+])CC1 ZINC000109603654 186266722 /nfs/dbraw/zinc/26/67/22/186266722.db2.gz QZIRGRBBJKETMW-FVQBIDKESA-N 1 3 296.455 2.415 10 0 CEAEHO CCOC(=O)C1CC[NH+]([C@@H]2C[C@H](CC)CC[C@@H]2CN)CC1 ZINC000109603654 186266724 /nfs/dbraw/zinc/26/67/24/186266724.db2.gz QZIRGRBBJKETMW-FVQBIDKESA-N 1 3 296.455 2.415 10 0 CEAEHO CC[C@@H](C[NH3+])N1CCN(Cc2c(C)cc(C)cc2C)CC1 ZINC000109460181 186254241 /nfs/dbraw/zinc/25/42/41/186254241.db2.gz TUHQIQAHDMGHCS-KRWDZBQOSA-N 1 3 289.467 2.467 10 0 CEAEHO COc1cc2c(cc1F)nc(N)n2[C@H](C)CC[NH+](C)C ZINC000110629887 186308145 /nfs/dbraw/zinc/30/81/45/186308145.db2.gz AKDPOKCKFJIULO-SECBINFHSA-N 1 3 280.347 2.279 10 0 CEAEHO CC[NH2+][C@@H](CN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000110716871 186315683 /nfs/dbraw/zinc/31/56/83/186315683.db2.gz DBTWQDZYGXFPKY-INIZCTEOSA-N 1 3 275.440 2.363 10 0 CEAEHO CCC[NH2+][C@H](CCC)CN1CCN(C)C(C)(C)C1 ZINC000110716981 186316373 /nfs/dbraw/zinc/31/63/73/186316373.db2.gz KRRDBCNVXRLJJO-CQSZACIVSA-N 1 3 255.450 2.181 10 0 CEAEHO CC[C@@H]1CN(C2(C[NH3+])CCCCCCC2)CCN1C ZINC000110710824 186316418 /nfs/dbraw/zinc/31/64/18/186316418.db2.gz KHYAWJSDIKJCRK-OAHLLOKOSA-N 1 3 267.461 2.454 10 0 CEAEHO CC[C@@H]1C[N@@H+](C2(CN)CCCCCCC2)CCN1C ZINC000110710824 186316419 /nfs/dbraw/zinc/31/64/19/186316419.db2.gz KHYAWJSDIKJCRK-OAHLLOKOSA-N 1 3 267.461 2.454 10 0 CEAEHO CC[C@@H]1C[N@H+](C2(CN)CCCCCCC2)CCN1C ZINC000110710824 186316421 /nfs/dbraw/zinc/31/64/21/186316421.db2.gz KHYAWJSDIKJCRK-OAHLLOKOSA-N 1 3 267.461 2.454 10 0 CEAEHO C[NH2+][C@@H](CCN1CCN(C)[C@@H](C)C1)c1cccc(F)c1 ZINC000110744293 186318647 /nfs/dbraw/zinc/31/86/47/186318647.db2.gz CUIFTVPMUQJUIG-BBRMVZONSA-N 1 3 279.403 2.112 10 0 CEAEHO C[NH2+]CC1(CN2CCN(C)C(C)(C)C2)CCCCC1 ZINC000110747182 186320151 /nfs/dbraw/zinc/32/01/51/186320151.db2.gz BMWRBZGCCWUOCB-UHFFFAOYSA-N 1 3 267.461 2.182 10 0 CEAEHO CC[C@H]1CN(Cc2ccc(C[NH2+]C3CC3)cc2)CCN1C ZINC000110753820 186321393 /nfs/dbraw/zinc/32/13/93/186321393.db2.gz BSGKGFZWEAHTAL-SFHVURJKSA-N 1 3 287.451 2.465 10 0 CEAEHO C[C@H]1CC(C)(C)C[C@@](CN)([N@H+](C)CCCN(C)C)C1 ZINC000111133340 186356838 /nfs/dbraw/zinc/35/68/38/186356838.db2.gz UBPXFSCPQRKCMU-HOCLYGCPSA-N 1 3 269.477 2.414 10 0 CEAEHO C[C@H]1CC(C)(C)C[C@@](CN)([N@@H+](C)CCCN(C)C)C1 ZINC000111133340 186356840 /nfs/dbraw/zinc/35/68/40/186356840.db2.gz UBPXFSCPQRKCMU-HOCLYGCPSA-N 1 3 269.477 2.414 10 0 CEAEHO CCC[NH2+][C@@H](CN(C)CCN(C)C)c1ccc(OC)cc1 ZINC000111135332 186357321 /nfs/dbraw/zinc/35/73/21/186357321.db2.gz XDVWFHJDJUXEEZ-KRWDZBQOSA-N 1 3 293.455 2.229 10 0 CEAEHO CN(CCC[NH+](C)C)c1nc(CN)cc2ccccc21 ZINC000111149274 186359353 /nfs/dbraw/zinc/35/93/53/186359353.db2.gz MNGJSURUQQDKPU-UHFFFAOYSA-N 1 3 272.396 2.081 10 0 CEAEHO CCC[C@@](C)(C[NH2+]C(C)C)CN(C)CCN(C)C ZINC000111147304 186359635 /nfs/dbraw/zinc/35/96/35/186359635.db2.gz MLIQTUXKVWYHLW-HNNXBMFYSA-N 1 3 257.466 2.284 10 0 CEAEHO CC(C)C[NH2+]Cc1coc(CN(C)CCN(C)C)c1 ZINC000111149597 186359805 /nfs/dbraw/zinc/35/98/05/186359805.db2.gz OSLHTLAFUSWZOI-UHFFFAOYSA-N 1 3 267.417 2.019 10 0 CEAEHO Cc1oc(CNC(C)C)cc1CN(C)CCC[NH+](C)C ZINC000111150512 186360028 /nfs/dbraw/zinc/36/00/28/186360028.db2.gz SJJHCVKAPNUKIY-UHFFFAOYSA-N 1 3 281.444 2.470 10 0 CEAEHO CNC[C@]1(C[N@H+](C)C2CCCCC2)CCCOC1 ZINC000111324310 186397049 /nfs/dbraw/zinc/39/70/49/186397049.db2.gz ABEWWWVGWIPUHI-HNNXBMFYSA-N 1 3 254.418 2.267 10 0 CEAEHO CNC[C@]1(C[N@@H+](C)C2CCCCC2)CCCOC1 ZINC000111324310 186397050 /nfs/dbraw/zinc/39/70/50/186397050.db2.gz ABEWWWVGWIPUHI-HNNXBMFYSA-N 1 3 254.418 2.267 10 0 CEAEHO C[NH2+]C[C@]1(CN(C)C2CCCCC2)CCCOC1 ZINC000111324310 186397052 /nfs/dbraw/zinc/39/70/52/186397052.db2.gz ABEWWWVGWIPUHI-HNNXBMFYSA-N 1 3 254.418 2.267 10 0 CEAEHO CC(C)[NH2+]C[C@@]1(CN2CC[C@@H](C)C2)CCCOC1 ZINC000111326136 186398427 /nfs/dbraw/zinc/39/84/27/186398427.db2.gz UCJQDJJGKXUNMM-HUUCEWRRSA-N 1 3 254.418 2.123 10 0 CEAEHO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(CN2CCCC2)c1 ZINC000111265524 186381406 /nfs/dbraw/zinc/38/14/06/186381406.db2.gz TULZZAQDOMDQAY-XJKSGUPXSA-N 1 3 287.407 2.076 10 0 CEAEHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC[C@@H]1CCCO1 ZINC000093515906 539851902 /nfs/dbraw/zinc/85/19/02/539851902.db2.gz BXNKGKQEEUSVIH-ILXRZTDVSA-N 1 3 254.418 2.456 10 0 CEAEHO C[C@H]([NH2+][C@H](CCO)C1CCCCC1)[C@H]1CCCNC1 ZINC000568748953 313975861 /nfs/dbraw/zinc/97/58/61/313975861.db2.gz PRYZCIQFPRRLLS-CWRNSKLLSA-N 1 3 268.445 2.295 10 0 CEAEHO NC1(CC[NH3+])CN(C(c2ccccc2)c2ccccc2)C1 ZINC000675058255 540078554 /nfs/dbraw/zinc/07/85/54/540078554.db2.gz XXUFMPZRQNBIBI-UHFFFAOYSA-N 1 3 281.403 2.138 10 0 CEAEHO CC(C)C[C@H](CN(C)C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000081292766 363710125 /nfs/dbraw/zinc/71/01/25/363710125.db2.gz UXPUWPRWZKOKES-MRXNPFEDSA-N 1 3 297.487 2.199 10 0 CEAEHO CCN1CC[C@@H]([NH2+]C[C@H]2CCCN2CC(C)C)[C@H](C)C1 ZINC000090773201 364064078 /nfs/dbraw/zinc/06/40/78/364064078.db2.gz ZOURISGOAMDNJI-BRWVUGGUSA-N 1 3 281.488 2.427 10 0 CEAEHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)N1CCCCCC1 ZINC000114176044 364928581 /nfs/dbraw/zinc/92/85/81/364928581.db2.gz JZBVMNGJIQEELE-HOTGVXAUSA-N 1 3 297.487 2.343 10 0 CEAEHO CCC1(C[N@@H+]2CC[C@]3(C2)CCCNC3)CCOCC1 ZINC000335866283 365090061 /nfs/dbraw/zinc/09/00/61/365090061.db2.gz LGAGLMJNCFMCFC-MRXNPFEDSA-N 1 3 266.429 2.269 10 0 CEAEHO CCC1(C[N@H+]2CC[C@]3(C2)CCCNC3)CCOCC1 ZINC000335866283 365090062 /nfs/dbraw/zinc/09/00/62/365090062.db2.gz LGAGLMJNCFMCFC-MRXNPFEDSA-N 1 3 266.429 2.269 10 0 CEAEHO COc1ccccc1CCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000583982022 367124165 /nfs/dbraw/zinc/12/41/65/367124165.db2.gz FKLJIOJJRCMTTP-DZGCQCFKSA-N 1 3 262.397 2.215 10 0 CEAEHO COc1ccccc1CC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000583982022 367124169 /nfs/dbraw/zinc/12/41/69/367124169.db2.gz FKLJIOJJRCMTTP-DZGCQCFKSA-N 1 3 262.397 2.215 10 0 CEAEHO C[C@H]1CN(CCC(=O)Nc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000631838520 367578283 /nfs/dbraw/zinc/57/82/83/367578283.db2.gz PTIOMTIZLHDJPX-NWDGAFQWSA-N 1 3 295.814 2.195 10 0 CEAEHO C[C@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@H]1CN ZINC000631838520 367578289 /nfs/dbraw/zinc/57/82/89/367578289.db2.gz PTIOMTIZLHDJPX-NWDGAFQWSA-N 1 3 295.814 2.195 10 0 CEAEHO C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@H]1CN ZINC000631838520 367578295 /nfs/dbraw/zinc/57/82/95/367578295.db2.gz PTIOMTIZLHDJPX-NWDGAFQWSA-N 1 3 295.814 2.195 10 0 CEAEHO Cc1ccc2nccc(N3CC[N@@H+](C[C@H](C)O)[C@H](C)C3)c2c1 ZINC000248730167 371239631 /nfs/dbraw/zinc/23/96/31/371239631.db2.gz MLMVWFSMCTVGJE-CABCVRRESA-N 1 3 299.418 2.435 10 0 CEAEHO Cc1ccc2nccc(N3CC[N@H+](C[C@H](C)O)[C@H](C)C3)c2c1 ZINC000248730167 371239635 /nfs/dbraw/zinc/23/96/35/371239635.db2.gz MLMVWFSMCTVGJE-CABCVRRESA-N 1 3 299.418 2.435 10 0 CEAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(-n4cccn4)cc3)C[C@H]12 ZINC000261601252 371672993 /nfs/dbraw/zinc/67/29/93/371672993.db2.gz BSCSHSJNURZPPY-BHYGNILZSA-N 1 3 282.391 2.041 10 0 CEAEHO COc1cc(C)c(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000261607355 371675093 /nfs/dbraw/zinc/67/50/93/371675093.db2.gz DCKGPSZENLFASX-QEJZJMRPSA-N 1 3 290.407 2.181 10 0 CEAEHO COC(=O)[C@@H]1CCCCCC[C@H]1[NH2+]C[C@H]1CCCNC1 ZINC000261932014 371775224 /nfs/dbraw/zinc/77/52/24/371775224.db2.gz LQTXVNCDICMHQZ-RRFJBIMHSA-N 1 3 282.428 2.088 10 0 CEAEHO COC(=O)[C@@H]1CCCCCC[C@H]1NC[C@H]1CCC[NH2+]C1 ZINC000261932014 371775231 /nfs/dbraw/zinc/77/52/31/371775231.db2.gz LQTXVNCDICMHQZ-RRFJBIMHSA-N 1 3 282.428 2.088 10 0 CEAEHO CC(C)(C[NH2+]C1CC1)COCCN1CCCCC1 ZINC000093720098 184710087 /nfs/dbraw/zinc/71/00/87/184710087.db2.gz AGVGTWRWNSGNIF-UHFFFAOYSA-N 1 3 254.418 2.267 10 0 CEAEHO Cc1cccc(N2CCN(C[C@H]3C=C[C@H]([NH3+])C3)CC2)c1 ZINC000092208895 135075895 /nfs/dbraw/zinc/07/58/95/135075895.db2.gz BXLJSODLCJFMKR-HOTGVXAUSA-N 1 3 271.408 2.020 10 0 CEAEHO [NH3+][C@@H]1C=C[C@H](CN2CCN(c3ccccc3Cl)CC2)C1 ZINC000092208942 135076123 /nfs/dbraw/zinc/07/61/23/135076123.db2.gz NKBXZUWZFNLXHU-UONOGXRCSA-N 1 3 291.826 2.365 10 0 CEAEHO C[NH+](C)Cc1ccccc1CNCc1ccncc1 ZINC000020128586 171015311 /nfs/dbraw/zinc/01/53/11/171015311.db2.gz BTZKUXNLOGHOSM-UHFFFAOYSA-N 1 3 255.365 2.433 10 0 CEAEHO Cc1ccc([C@H](C[NH3+])N2CCN(CC3CC3)CC2)cc1 ZINC000020179490 171044088 /nfs/dbraw/zinc/04/40/88/171044088.db2.gz YYHYMVOKUHZCOI-KRWDZBQOSA-N 1 3 273.424 2.022 10 0 CEAEHO Cc1ccccc1[C@H](C[NH3+])N1CCN(CC2CC2)CC1 ZINC000020179451 171044559 /nfs/dbraw/zinc/04/45/59/171044559.db2.gz HZZDPRMRRNGREK-KRWDZBQOSA-N 1 3 273.424 2.022 10 0 CEAEHO CC[C@@H]1CC[C@H](CN)[C@H]([NH+]2CCC(OC)CC2)C1 ZINC000037265703 173075004 /nfs/dbraw/zinc/07/50/04/173075004.db2.gz NIASVWZGWCIHGT-UMVBOHGHSA-N 1 3 254.418 2.251 10 0 CEAEHO CC[N@H+](CCOc1cccc(C)c1)C1CCNCC1 ZINC000037538499 173259007 /nfs/dbraw/zinc/25/90/07/173259007.db2.gz QOQYOLNTPLNZIR-UHFFFAOYSA-N 1 3 262.397 2.448 10 0 CEAEHO CC[N@@H+](CCOc1cccc(C)c1)C1CCNCC1 ZINC000037538499 173259009 /nfs/dbraw/zinc/25/90/09/173259009.db2.gz QOQYOLNTPLNZIR-UHFFFAOYSA-N 1 3 262.397 2.448 10 0 CEAEHO Cc1cc(C)c(CN)c(OCC[C@@H]2CCC[N@H+]2C)n1 ZINC000040509812 174304184 /nfs/dbraw/zinc/30/41/84/174304184.db2.gz DPIVPUTXYAVXMA-ZDUSSCGKSA-N 1 3 263.385 2.020 10 0 CEAEHO Cc1cc(C)c(CN)c(OCC[C@@H]2CCC[N@@H+]2C)n1 ZINC000040509812 174304186 /nfs/dbraw/zinc/30/41/86/174304186.db2.gz DPIVPUTXYAVXMA-ZDUSSCGKSA-N 1 3 263.385 2.020 10 0 CEAEHO C[C@@H](CC(N)=S)[NH+]1CCC(N2CCCCC2)CC1 ZINC000040694054 174377712 /nfs/dbraw/zinc/37/77/12/174377712.db2.gz LVUBOFFZCOGAIN-LBPRGKRZSA-N 1 3 269.458 2.001 10 0 CEAEHO FC(F)(F)CO[C@H]1CCC[C@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000043326961 175008843 /nfs/dbraw/zinc/00/88/43/175008843.db2.gz PDPFFFYNZBEROV-TUAOUCFPSA-N 1 3 280.334 2.218 10 0 CEAEHO CCCN1CCN([C@H]2C[C@@H](CC)CC[C@@H]2[NH2+]C)CC1 ZINC000043805285 175107468 /nfs/dbraw/zinc/10/74/68/175107468.db2.gz VZQDHQGKIMGKNC-JYJNAYRXSA-N 1 3 267.461 2.181 10 0 CEAEHO C[NH2+][C@H]1c2ccccc2CC[C@H]1N(C)C1CCN(C)CC1 ZINC000043815265 175112169 /nfs/dbraw/zinc/11/21/69/175112169.db2.gz YLQUCCQMXWAAPQ-MSOLQXFVSA-N 1 3 287.451 2.288 10 0 CEAEHO CCC[C@H]([NH2+]CC)[C@H](CC)N1CCCN(C)CC1 ZINC000043818425 175112955 /nfs/dbraw/zinc/11/29/55/175112955.db2.gz RWVSFYITABCJKN-GJZGRUSLSA-N 1 3 255.450 2.181 10 0 CEAEHO CCC[NH2+][C@@H](CC)[C@H](C)N1CCN(C(C)C)CC1 ZINC000043897193 175120144 /nfs/dbraw/zinc/12/01/44/175120144.db2.gz IJNPSYUXCVISCI-GJZGRUSLSA-N 1 3 255.450 2.179 10 0 CEAEHO CN[C@@H]1CCCCCC[C@@H]1[N@H+](C)C1CCOCC1 ZINC000043898143 175121116 /nfs/dbraw/zinc/12/11/16/175121116.db2.gz ZBZIASGUDIVLPC-CABCVRRESA-N 1 3 254.418 2.408 10 0 CEAEHO CN[C@@H]1CCCCCC[C@@H]1[N@@H+](C)C1CCOCC1 ZINC000043898143 175121117 /nfs/dbraw/zinc/12/11/17/175121117.db2.gz ZBZIASGUDIVLPC-CABCVRRESA-N 1 3 254.418 2.408 10 0 CEAEHO C[C@H](C(=O)Nc1ccccc1C[NH3+])N(C)CC(C)(C)C ZINC000045068459 175300350 /nfs/dbraw/zinc/30/03/50/175300350.db2.gz JSCMFFNIURGUBH-GFCCVEGCSA-N 1 3 277.412 2.450 10 0 CEAEHO CCn1nc(C)c([C@H](C)[NH2+]CCCN(C)C)c1C ZINC000045167687 175319225 /nfs/dbraw/zinc/31/92/25/175319225.db2.gz XLDRCJVDEHMOSO-NSHDSACASA-N 1 3 252.406 2.122 10 0 CEAEHO C[C@@H]([NH3+])C1CCN(C[C@H]2OCCc3ccccc32)CC1 ZINC000071044421 176029978 /nfs/dbraw/zinc/02/99/78/176029978.db2.gz DASYRNPSUDRLRW-CXAGYDPISA-N 1 3 274.408 2.360 10 0 CEAEHO CC[C@H]1CCCC[C@@]1(CN)[N@H+](C)CCCN(C)C ZINC000071162280 176046801 /nfs/dbraw/zinc/04/68/01/176046801.db2.gz CWRIEGUQTZMPAG-GJZGRUSLSA-N 1 3 255.450 2.168 10 0 CEAEHO CC[C@H]1CCCC[C@@]1(CN)[N@@H+](C)CCCN(C)C ZINC000071162280 176046802 /nfs/dbraw/zinc/04/68/02/176046802.db2.gz CWRIEGUQTZMPAG-GJZGRUSLSA-N 1 3 255.450 2.168 10 0 CEAEHO CN(C[C@H]1CC[N@H+](C)C1)[C@@H](CN)c1ccc(Cl)s1 ZINC000071187922 176061257 /nfs/dbraw/zinc/06/12/57/176061257.db2.gz AVRHNXJTGVMNMB-QWRGUYRKSA-N 1 3 287.860 2.285 10 0 CEAEHO CN(C[C@H]1CC[N@@H+](C)C1)[C@@H](CN)c1ccc(Cl)s1 ZINC000071187922 176061259 /nfs/dbraw/zinc/06/12/59/176061259.db2.gz AVRHNXJTGVMNMB-QWRGUYRKSA-N 1 3 287.860 2.285 10 0 CEAEHO Cc1cc([C@@H](CN)N(C)C[C@@H]2CC[N@H+](C)C2)c(C)s1 ZINC000071188326 176062931 /nfs/dbraw/zinc/06/29/31/176062931.db2.gz MATVTRDVYFBDEZ-UKRRQHHQSA-N 1 3 281.469 2.248 10 0 CEAEHO Cc1cc([C@@H](CN)N(C)C[C@@H]2CC[N@@H+](C)C2)c(C)s1 ZINC000071188326 176062932 /nfs/dbraw/zinc/06/29/32/176062932.db2.gz MATVTRDVYFBDEZ-UKRRQHHQSA-N 1 3 281.469 2.248 10 0 CEAEHO Cc1ccc(C)c([C@@H](O)C[N@@H+](C)C[C@@H]2CCN(C)C2)c1 ZINC000071190680 176068471 /nfs/dbraw/zinc/06/84/71/176068471.db2.gz SHSXWRGXQXKVFW-WBVHZDCISA-N 1 3 276.424 2.220 10 0 CEAEHO Cc1ccc(C)c([C@@H](O)C[N@H+](C)C[C@@H]2CCN(C)C2)c1 ZINC000071190680 176068472 /nfs/dbraw/zinc/06/84/72/176068472.db2.gz SHSXWRGXQXKVFW-WBVHZDCISA-N 1 3 276.424 2.220 10 0 CEAEHO CC(C)CNCc1ccc(CN(C)C[C@H]2CC[N@H+](C)C2)o1 ZINC000071191965 176072777 /nfs/dbraw/zinc/07/27/77/176072777.db2.gz JTYCSHNGTBXSOO-HNNXBMFYSA-N 1 3 293.455 2.409 10 0 CEAEHO CC(C)CNCc1ccc(CN(C)C[C@H]2CC[N@@H+](C)C2)o1 ZINC000071191965 176072779 /nfs/dbraw/zinc/07/27/79/176072779.db2.gz JTYCSHNGTBXSOO-HNNXBMFYSA-N 1 3 293.455 2.409 10 0 CEAEHO CCCNCc1nc(CN(C)C[C@H]2CC[N@H+](C)C2)cs1 ZINC000071192013 176072786 /nfs/dbraw/zinc/07/27/86/176072786.db2.gz JQXBTXHAGYLAGG-ZDUSSCGKSA-N 1 3 296.484 2.026 10 0 CEAEHO CCCNCc1nc(CN(C)C[C@H]2CC[N@@H+](C)C2)cs1 ZINC000071192013 176072787 /nfs/dbraw/zinc/07/27/87/176072787.db2.gz JQXBTXHAGYLAGG-ZDUSSCGKSA-N 1 3 296.484 2.026 10 0 CEAEHO CN(C[C@H]1CC[N@H+](C)C1)c1nc(C(C)(C)C)c(CN)s1 ZINC000071192594 176074735 /nfs/dbraw/zinc/07/47/35/176074735.db2.gz PFGUZSUEAURECF-NSHDSACASA-N 1 3 296.484 2.287 10 0 CEAEHO CN(C[C@H]1CC[N@@H+](C)C1)c1nc(C(C)(C)C)c(CN)s1 ZINC000071192594 176074736 /nfs/dbraw/zinc/07/47/36/176074736.db2.gz PFGUZSUEAURECF-NSHDSACASA-N 1 3 296.484 2.287 10 0 CEAEHO CC(C)C[C@H](CN(C)C)N1CC[C@H]([NH2+]C(C)C)C1 ZINC000071200580 176077813 /nfs/dbraw/zinc/07/78/13/176077813.db2.gz PYZNVUGDBMVCRG-LSDHHAIUSA-N 1 3 255.450 2.035 10 0 CEAEHO CCN([C@H]1CC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000071312262 176118866 /nfs/dbraw/zinc/11/88/66/176118866.db2.gz YLPRLJVWQLQDST-ZWKOTPCHSA-N 1 3 287.451 2.335 10 0 CEAEHO CC(C)C[C@H](CN(C)C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251431697 279133880 /nfs/dbraw/zinc/13/38/80/279133880.db2.gz SCRXJASFXNLERZ-XHSDSOJGSA-N 1 3 267.461 2.179 10 0 CEAEHO CC(C)C[C@H](CN(C)C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251431697 279133881 /nfs/dbraw/zinc/13/38/81/279133881.db2.gz SCRXJASFXNLERZ-XHSDSOJGSA-N 1 3 267.461 2.179 10 0 CEAEHO CCN1CC[C@@H]([NH2+]C[C@H]2CCCN2CC(C)C)[C@@H](C)C1 ZINC000246594127 280302679 /nfs/dbraw/zinc/30/26/79/280302679.db2.gz ZOURISGOAMDNJI-GVDBMIGSSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000249393712 280395491 /nfs/dbraw/zinc/39/54/91/280395491.db2.gz RIYMBXMIWBPCFY-DZKIICNBSA-N 1 3 268.445 2.390 10 0 CEAEHO CC[C@](C)(O)CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249393712 280395492 /nfs/dbraw/zinc/39/54/92/280395492.db2.gz RIYMBXMIWBPCFY-DZKIICNBSA-N 1 3 268.445 2.390 10 0 CEAEHO CC[C@](C)(O)CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000249393712 280395493 /nfs/dbraw/zinc/39/54/93/280395493.db2.gz RIYMBXMIWBPCFY-DZKIICNBSA-N 1 3 268.445 2.390 10 0 CEAEHO Cc1ccc2nccc(N3CC[N@@H+](C[C@H](C)O)[C@@H](C)C3)c2c1 ZINC000248730170 281169706 /nfs/dbraw/zinc/16/97/06/281169706.db2.gz MLMVWFSMCTVGJE-GJZGRUSLSA-N 1 3 299.418 2.435 10 0 CEAEHO Cc1ccc2nccc(N3CC[N@H+](C[C@H](C)O)[C@@H](C)C3)c2c1 ZINC000248730170 281169708 /nfs/dbraw/zinc/16/97/08/281169708.db2.gz MLMVWFSMCTVGJE-GJZGRUSLSA-N 1 3 299.418 2.435 10 0 CEAEHO CC(C)C[N@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052181367 519709107 /nfs/dbraw/zinc/70/91/07/519709107.db2.gz OGHVZXMGTPMNBH-UHFFFAOYSA-N 1 3 254.418 2.123 10 0 CEAEHO CC(C)C[N@@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052181367 519709109 /nfs/dbraw/zinc/70/91/09/519709109.db2.gz OGHVZXMGTPMNBH-UHFFFAOYSA-N 1 3 254.418 2.123 10 0 CEAEHO CC(C)CN(C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181367 519709110 /nfs/dbraw/zinc/70/91/10/519709110.db2.gz OGHVZXMGTPMNBH-UHFFFAOYSA-N 1 3 254.418 2.123 10 0 CEAEHO CC(C)[NH2+]CCCCCN1CCN(C(C)C)CC1 ZINC000052480104 519720725 /nfs/dbraw/zinc/72/07/25/519720725.db2.gz KJEMNAARGLTAGF-UHFFFAOYSA-N 1 3 255.450 2.181 10 0 CEAEHO CC(C)CN1CCN(CC[C@H]([NH3+])C(C)(C)C)CC1 ZINC000055081994 519726096 /nfs/dbraw/zinc/72/60/96/519726096.db2.gz IXQCAUSIQCBKJF-AWEZNQCLSA-N 1 3 255.450 2.024 10 0 CEAEHO CCC[NH2+]CC[C@@H](C)N1CCN([C@@H](C)CC)CC1 ZINC000055074846 519918827 /nfs/dbraw/zinc/91/88/27/519918827.db2.gz TZRZAYRFJRNWDQ-LSDHHAIUSA-N 1 3 255.450 2.181 10 0 CEAEHO CC[NH2+]CCCCCN1CCO[C@H]2CCCC[C@@H]21 ZINC000052573186 519919063 /nfs/dbraw/zinc/91/90/63/519919063.db2.gz MALKNGYGFGQCNT-GJZGRUSLSA-N 1 3 254.418 2.410 10 0 CEAEHO CCC[NH2+]C[C@H](C(C)C)N1CCN([C@H](C)CC)CC1 ZINC000055074833 519929125 /nfs/dbraw/zinc/92/91/25/519929125.db2.gz RKVMGVQJAKGBPO-HZPDHXFCSA-N 1 3 269.477 2.427 10 0 CEAEHO CCC[NH2+][C@@H](CN1CCC[C@@H]1CN(C)C)C(C)(C)C ZINC000061643732 520009343 /nfs/dbraw/zinc/00/93/43/520009343.db2.gz UBJLGIGQVNWRHG-CABCVRRESA-N 1 3 269.477 2.427 10 0 CEAEHO CCN[C@H](c1ccccc1)[C@@H](C)C[N@@H+]1CC[C@H](O)C1 ZINC000061712051 520210022 /nfs/dbraw/zinc/21/00/22/520210022.db2.gz LAOSFXSHRZEWPN-BPUTZDHNSA-N 1 3 262.397 2.040 10 0 CEAEHO CCN[C@H](c1ccccc1)[C@@H](C)C[N@H+]1CC[C@H](O)C1 ZINC000061712051 520210030 /nfs/dbraw/zinc/21/00/30/520210030.db2.gz LAOSFXSHRZEWPN-BPUTZDHNSA-N 1 3 262.397 2.040 10 0 CEAEHO CCC(C)(C)N(C)CC(=O)Nc1cccc(C[NH3+])c1 ZINC000069429287 521301509 /nfs/dbraw/zinc/30/15/09/521301509.db2.gz WZGBKAARLJUYBF-UHFFFAOYSA-N 1 3 263.385 2.204 10 0 CEAEHO CCCN(CCN(C)C)C[C@@H]1CCCC[C@@H]1[NH2+]C ZINC000053859196 521656522 /nfs/dbraw/zinc/65/65/22/521656522.db2.gz QQOUDPCAQNSGGW-GJZGRUSLSA-N 1 3 255.450 2.038 10 0 CEAEHO CNCC1(C[N@H+](C)[C@H](C)CC(C)C)CCOCC1 ZINC000052197697 521969183 /nfs/dbraw/zinc/96/91/83/521969183.db2.gz VXCRNPCURSVQTQ-CQSZACIVSA-N 1 3 256.434 2.369 10 0 CEAEHO CNCC1(C[N@@H+](C)[C@H](C)CC(C)C)CCOCC1 ZINC000052197697 521969196 /nfs/dbraw/zinc/96/91/96/521969196.db2.gz VXCRNPCURSVQTQ-CQSZACIVSA-N 1 3 256.434 2.369 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C[NH3+])c2ccsc2)CC1 ZINC000055063651 522132670 /nfs/dbraw/zinc/13/26/70/522132670.db2.gz CLZQVZCDGXNQEP-TZMCWYRMSA-N 1 3 267.442 2.164 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H]([C@@H](C)[NH3+])C(C)(C)C)CC1 ZINC000055063984 522132748 /nfs/dbraw/zinc/13/27/48/522132748.db2.gz ADYPYGYCJFHNGZ-MGPQQGTHSA-N 1 3 255.450 2.164 10 0 CEAEHO C(C[C@H]1CCC[NH2+]1)CN1CCN(C2CCCC2)CC1 ZINC000052764755 518395676 /nfs/dbraw/zinc/39/56/76/518395676.db2.gz YOUQSDZPVBBJDI-OAHLLOKOSA-N 1 3 265.445 2.079 10 0 CEAEHO C1C[NH2+][C@H]([C@H]2CCCN([C@@H]3CCCSC3)C2)C1 ZINC000061590658 518580541 /nfs/dbraw/zinc/58/05/41/518580541.db2.gz KVAOPPYOWDZIGK-MJBXVCDLSA-N 1 3 254.443 2.346 10 0 CEAEHO CC(C)(CNC1CC1)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052763381 519266844 /nfs/dbraw/zinc/26/68/44/519266844.db2.gz IGCBOXUHYHMDPI-CQSZACIVSA-N 1 3 254.418 2.002 10 0 CEAEHO CC(C)(CNC1CC1)C[N@H+]1CCC[C@@H]1CCCO ZINC000052763381 519266851 /nfs/dbraw/zinc/26/68/51/519266851.db2.gz IGCBOXUHYHMDPI-CQSZACIVSA-N 1 3 254.418 2.002 10 0 CEAEHO CC(C)(C[NH2+]C1CC1)CN1CCC[C@@H]1CCCO ZINC000052763381 519266858 /nfs/dbraw/zinc/26/68/58/519266858.db2.gz IGCBOXUHYHMDPI-CQSZACIVSA-N 1 3 254.418 2.002 10 0 CEAEHO CC(C)[NH2+]C[C@H]1CC[C@H](CN(C)CCc2ccncc2)O1 ZINC000052483153 519725682 /nfs/dbraw/zinc/72/56/82/519725682.db2.gz BMFHVEZWPGTORS-IAGOWNOFSA-N 1 3 291.439 2.102 10 0 CEAEHO CC(C)CN1CCN(C[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000055083679 519726707 /nfs/dbraw/zinc/72/67/07/519726707.db2.gz WVTDQTYECKMPNO-IKGGRYGDSA-N 1 3 279.472 2.181 10 0 CEAEHO CC(C)CN1CCN([C@@H]2CCc3ccccc3[C@@H]2[NH3+])CC1 ZINC000055078894 519727637 /nfs/dbraw/zinc/72/76/37/519727637.db2.gz AHDIIXOERVOXAN-MSOLQXFVSA-N 1 3 287.451 2.275 10 0 CEAEHO CC(C)CN1CCN([C@H](C)CCC[NH2+]C(C)C)CC1 ZINC000055082928 519728161 /nfs/dbraw/zinc/72/81/61/519728161.db2.gz MZSALWYVDZAQCP-MRXNPFEDSA-N 1 3 269.477 2.427 10 0 CEAEHO CC(C)CN1CCN([C@H](c2ccsc2)[C@@H](C)[NH3+])CC1 ZINC000055077317 519728476 /nfs/dbraw/zinc/72/84/76/519728476.db2.gz JYHDYSIWXXGGEG-HIFRSBDPSA-N 1 3 281.469 2.410 10 0 CEAEHO CCCC1CCN(Cc2cccnc2C(N)=[NH2+])CC1 ZINC000061658393 519902290 /nfs/dbraw/zinc/90/22/90/519902290.db2.gz VNHDSQVQPSBELI-UHFFFAOYSA-N 1 3 260.385 2.378 10 0 CEAEHO CCC[NH2+]CC1(CN2CC[C@H](C)C2)CCOCC1 ZINC000052182184 519911301 /nfs/dbraw/zinc/91/13/01/519911301.db2.gz UZMIAGBZGNGTMJ-AWEZNQCLSA-N 1 3 254.418 2.125 10 0 CEAEHO CCC[NH2+]C[C@H](CC)N(CCN(C)C)CC(C)C ZINC000052503278 519931389 /nfs/dbraw/zinc/93/13/89/519931389.db2.gz JLSXCQPHGHNMGP-HNNXBMFYSA-N 1 3 257.466 2.284 10 0 CEAEHO CCNCc1cc(CN2CCC[C@@H]2C[NH+](C)C)c(C)o1 ZINC000061654529 519986613 /nfs/dbraw/zinc/98/66/13/519986613.db2.gz HMLZLMGTLXHHQJ-OAHLLOKOSA-N 1 3 279.428 2.224 10 0 CEAEHO CC[NH2+]Cc1ccccc1CN(CCOC)[C@@H](C)COC ZINC000052572449 520006178 /nfs/dbraw/zinc/00/61/78/520006178.db2.gz ZNPMMXQMRJEMFJ-HNNXBMFYSA-N 1 3 294.439 2.279 10 0 CEAEHO CCNCc1oc(COCCC[NH+](C)C)cc1C ZINC000052672757 520026734 /nfs/dbraw/zinc/02/67/34/520026734.db2.gz NYQLDVZMTDZPOZ-UHFFFAOYSA-N 1 3 254.374 2.166 10 0 CEAEHO CC[NH+](CC)CCOc1ccc2c(c1)OC[C@H]2NC ZINC000062804512 520698824 /nfs/dbraw/zinc/69/88/24/520698824.db2.gz JPBYBXOXDIPXMB-CQSZACIVSA-N 1 3 264.369 2.060 10 0 CEAEHO CC[NH+](CC)CCn1ccnc1CNC(C)(C)C ZINC000051015523 520713212 /nfs/dbraw/zinc/71/32/12/520713212.db2.gz GSYMUZLBWQCDCY-UHFFFAOYSA-N 1 3 252.406 2.113 10 0 CEAEHO CCC[C@@H]1CC[C@@H](N)[C@H]([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061643452 520828970 /nfs/dbraw/zinc/82/89/70/520828970.db2.gz NRPMUHVPTBLTQJ-KLHDSHLOSA-N 1 3 267.461 2.309 10 0 CEAEHO CCC[C@@H]1CC[C@@H](N)[C@H]([N@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061643452 520828979 /nfs/dbraw/zinc/82/89/79/520828979.db2.gz NRPMUHVPTBLTQJ-KLHDSHLOSA-N 1 3 267.461 2.309 10 0 CEAEHO CCCC[C@](CC)(C[NH3+])N1CCN(CCC)CC1 ZINC000069379413 521256144 /nfs/dbraw/zinc/25/61/44/521256144.db2.gz FTLJJHSQWVNRBZ-OAHLLOKOSA-N 1 3 255.450 2.312 10 0 CEAEHO C[NH+](C)C[C@H]1CCCN1Cc1cc(CNC2CC2)co1 ZINC000061654626 521868905 /nfs/dbraw/zinc/86/89/05/521868905.db2.gz TTZLCXGAPRXIQQ-OAHLLOKOSA-N 1 3 277.412 2.058 10 0 CEAEHO CN(C)Cc1ccccc1NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000070252852 521934805 /nfs/dbraw/zinc/93/48/05/521934805.db2.gz XIIGVUNHJVXVAM-CQSZACIVSA-N 1 3 287.407 2.076 10 0 CEAEHO C[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2ccc(C)cc2)O1 ZINC000052424731 522094076 /nfs/dbraw/zinc/09/40/76/522094076.db2.gz JLABSJFEFNPURD-CVEARBPZSA-N 1 3 262.397 2.194 10 0 CEAEHO CC[C@@H](C)N1CCN(C2(C[NH3+])CCC(C)CC2)CC1 ZINC000055064744 522119739 /nfs/dbraw/zinc/11/97/39/522119739.db2.gz QMCPHJFQBVJRDT-HWOWSKLDSA-N 1 3 267.461 2.310 10 0 CEAEHO COC1CCN(C[C@H]2CC[C@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052455439 522704414 /nfs/dbraw/zinc/70/44/14/522704414.db2.gz FLOMHAIRHWRYTA-HUUCEWRRSA-N 1 3 284.444 2.033 10 0 CEAEHO CN(C[C@@H]1CCCO1)C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052541071 523055773 /nfs/dbraw/zinc/05/57/73/523055773.db2.gz VWYBQNJDYFKQLU-KKUMJFAQSA-N 1 3 284.444 2.033 10 0 CEAEHO CC[C@H](C)N1CCN(CCCCCCC[NH3+])CC1 ZINC000055083478 523952600 /nfs/dbraw/zinc/95/26/00/523952600.db2.gz GKQVBHPQHPUQQT-HNNXBMFYSA-N 1 3 255.450 2.312 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@@](C)(C[NH3+])c2ccccc2)CC1 ZINC000055072028 523955314 /nfs/dbraw/zinc/95/53/14/523955314.db2.gz KAHGDJSKHJDPFT-FUHWJXTLSA-N 1 3 289.467 2.319 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C[NH3+])c2c(F)cccc2F)CC1 ZINC000055064849 523958231 /nfs/dbraw/zinc/95/82/31/523958231.db2.gz DPMUELFPSOFLGP-WFASDCNBSA-N 1 3 297.393 2.381 10 0 CEAEHO CC[C@H](C)N1CCN([C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000055065574 523959407 /nfs/dbraw/zinc/95/94/07/523959407.db2.gz GIHIYDUCDUPXFH-JYJNAYRXSA-N 1 3 267.461 2.453 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C[NH3+])c2ccc(F)c(F)c2)CC1 ZINC000055064828 523959608 /nfs/dbraw/zinc/95/96/08/523959608.db2.gz RYRTUFCUCVWKBG-BLLLJJGKSA-N 1 3 297.393 2.381 10 0 CEAEHO Cc1ccc([C@H]([C@H](C)[NH3+])N2CCN(CC(C)C)CC2)o1 ZINC000055077062 525980007 /nfs/dbraw/zinc/98/00/07/525980007.db2.gz CHMFKXCVMBFUOS-HOCLYGCPSA-N 1 3 279.428 2.250 10 0 CEAEHO Cc1csc2nc(C)c(C[NH2+][C@H](C)CCN(C)C)n12 ZINC000049554052 526452607 /nfs/dbraw/zinc/45/26/07/526452607.db2.gz BHSRANAOPYCERJ-SNVBAGLBSA-N 1 3 280.441 2.442 10 0 CEAEHO Cc1oc(CN2CCC([NH+]3CCCCC3)CC2)cc1CN ZINC000052484207 526771122 /nfs/dbraw/zinc/77/11/22/526771122.db2.gz URJZHACZLCEBAC-UHFFFAOYSA-N 1 3 291.439 2.497 10 0 CEAEHO NC(=[NH2+])c1c(Cl)cccc1N1CCN(CC2CC2)CC1 ZINC000052905532 526818783 /nfs/dbraw/zinc/81/87/83/526818783.db2.gz ZMBYUKDUKOGEQC-UHFFFAOYSA-N 1 3 292.814 2.156 10 0 CEAEHO Cc1nc(N2CCC(C[NH+](C)C)CC2)sc1[C@H](C)N ZINC000054897110 526963013 /nfs/dbraw/zinc/96/30/13/526963013.db2.gz MLVFQXKZVNYPCD-JTQLQIEISA-N 1 3 282.457 2.249 10 0 CEAEHO Cc1nc(N2CCC[C@H]2C[NH+](C)C)sc1CNC1CC1 ZINC000061655594 526966282 /nfs/dbraw/zinc/96/62/82/526966282.db2.gz PBTXLKPJDOGFQK-ZDUSSCGKSA-N 1 3 294.468 2.234 10 0 CEAEHO Cc1nc(N2CCN(CC(C)C)CC2)sc1[C@@H](C)[NH3+] ZINC000055076378 526969242 /nfs/dbraw/zinc/96/92/42/526969242.db2.gz YWOYRKCLYBSKQY-LLVKDONJSA-N 1 3 282.457 2.249 10 0 CEAEHO NCc1cnc(N2CCC([NH+]3CCCCC3)CC2)s1 ZINC000054896442 527262646 /nfs/dbraw/zinc/26/26/46/527262646.db2.gz JDABPTXYZBSCSP-UHFFFAOYSA-N 1 3 280.441 2.057 10 0 CEAEHO Cc1nccn1CC[N@H+]1C[C@H](C(C)C)NC[C@@H]1C(C)C ZINC000068702797 527427103 /nfs/dbraw/zinc/42/71/03/527427103.db2.gz MLHRQIZVAFTHEB-HZPDHXFCSA-N 1 3 278.444 2.146 10 0 CEAEHO Cc1nccn1CC[N@@H+]1C[C@H](C(C)C)NC[C@@H]1C(C)C ZINC000068702797 527427107 /nfs/dbraw/zinc/42/71/07/527427107.db2.gz MLHRQIZVAFTHEB-HZPDHXFCSA-N 1 3 278.444 2.146 10 0 CEAEHO CCN1CC[C@@H](C[NH2+]Cc2cc(C)c(O)c(C)c2)C1 ZINC000037644274 361915475 /nfs/dbraw/zinc/91/54/75/361915475.db2.gz YRSCMRMAAXCVQK-AWEZNQCLSA-N 1 3 262.397 2.440 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccnc4ccccc34)C[C@H]12 ZINC000381839661 344825106 /nfs/dbraw/zinc/82/51/06/344825106.db2.gz JSQVPIKDTDGGRV-UHOFOFEASA-N 1 3 267.376 2.404 10 0 CEAEHO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccccc1CN1CCCC1 ZINC000085364723 179036114 /nfs/dbraw/zinc/03/61/14/179036114.db2.gz JGKTWKRVXSSTPH-GJZGRUSLSA-N 1 3 287.407 2.348 10 0 CEAEHO CO[C@H]1CCC[C@H](N2CC[NH2+]C3(CCCC3)C2)C1 ZINC000085435348 179061696 /nfs/dbraw/zinc/06/16/96/179061696.db2.gz BVIDTPBDVVRLBR-KBPBESRZSA-N 1 3 252.402 2.162 10 0 CEAEHO CCC1(CC)C[NH2+][C@H](C2CC2)CN1CCn1ccnc1C ZINC000085528838 179090881 /nfs/dbraw/zinc/09/08/81/179090881.db2.gz KLUWOXAHOMBYGG-INIZCTEOSA-N 1 3 290.455 2.434 10 0 CEAEHO C[C@@H]1CCN[C@H](Cc2ccccc2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085618876 179103580 /nfs/dbraw/zinc/10/35/80/179103580.db2.gz APFZFYCHXYRLII-NXHRZFHOSA-N 1 3 288.435 2.461 10 0 CEAEHO C[C@@H]1CCN[C@H](Cc2ccccc2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085618876 179103581 /nfs/dbraw/zinc/10/35/81/179103581.db2.gz APFZFYCHXYRLII-NXHRZFHOSA-N 1 3 288.435 2.461 10 0 CEAEHO C[C@H]1CC[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CCCCO1 ZINC000085623747 179107488 /nfs/dbraw/zinc/10/74/88/179107488.db2.gz ULGMVSAUZLESPU-CWRNSKLLSA-N 1 3 266.429 2.408 10 0 CEAEHO C[C@H]1CCN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085623747 179107490 /nfs/dbraw/zinc/10/74/90/179107490.db2.gz ULGMVSAUZLESPU-CWRNSKLLSA-N 1 3 266.429 2.408 10 0 CEAEHO C[C@H]1CCN[C@@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCCO1 ZINC000085623747 179107491 /nfs/dbraw/zinc/10/74/91/179107491.db2.gz ULGMVSAUZLESPU-CWRNSKLLSA-N 1 3 266.429 2.408 10 0 CEAEHO CC(C)[C@H]1C[N@H+](CC2CCN(C)CC2)[C@@H](C(C)C)CN1 ZINC000086173674 179244310 /nfs/dbraw/zinc/24/43/10/179244310.db2.gz PXNABJGOBWOLQW-IAGOWNOFSA-N 1 3 281.488 2.283 10 0 CEAEHO CC(C)[C@H]1C[N@@H+](CC2CCN(C)CC2)[C@@H](C(C)C)CN1 ZINC000086173674 179244312 /nfs/dbraw/zinc/24/43/12/179244312.db2.gz PXNABJGOBWOLQW-IAGOWNOFSA-N 1 3 281.488 2.283 10 0 CEAEHO C[C@H]1CN[C@H](c2ccccc2)C[N@@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182483 179247897 /nfs/dbraw/zinc/24/78/97/179247897.db2.gz VSARDBRBUXOYIJ-JCGIZDLHSA-N 1 3 285.435 2.116 10 0 CEAEHO C[C@H]1CN[C@H](c2ccccc2)C[N@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182483 179247900 /nfs/dbraw/zinc/24/79/00/179247900.db2.gz VSARDBRBUXOYIJ-JCGIZDLHSA-N 1 3 285.435 2.116 10 0 CEAEHO CC1CCN(CCC[NH2+][C@@H]2CCCN(C)CC2)CC1 ZINC000086817371 179344421 /nfs/dbraw/zinc/34/44/21/179344421.db2.gz PVVCHEBMLZVNEL-MRXNPFEDSA-N 1 3 267.461 2.182 10 0 CEAEHO CCN1CCC[C@@H]([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000086840340 179352114 /nfs/dbraw/zinc/35/21/14/179352114.db2.gz ALUVRJWYGOIVOA-CQSZACIVSA-N 1 3 265.445 2.077 10 0 CEAEHO CCC[N@@H+]1CCC[C@H](N[C@@H](C)CN2CCCC2)CC1 ZINC000086842817 179353963 /nfs/dbraw/zinc/35/39/63/179353963.db2.gz JWCMKZTVKGUDAU-HOTGVXAUSA-N 1 3 267.461 2.325 10 0 CEAEHO CCC[N@H+]1CCC[C@H](N[C@@H](C)CN2CCCC2)CC1 ZINC000086842817 179353965 /nfs/dbraw/zinc/35/39/65/179353965.db2.gz JWCMKZTVKGUDAU-HOTGVXAUSA-N 1 3 267.461 2.325 10 0 CEAEHO CCN1CCC[C@](CN)([NH+]2CCCCCCC2)CC1 ZINC000086846633 179355048 /nfs/dbraw/zinc/35/50/48/179355048.db2.gz XMVKMSGMJPAGJJ-INIZCTEOSA-N 1 3 267.461 2.456 10 0 CEAEHO CCN1CCC[C@@](CN)([NH+](CC2CC2)CC2CC2)CC1 ZINC000086848923 179358219 /nfs/dbraw/zinc/35/82/19/179358219.db2.gz OUZPRQVDHCFUFJ-QGZVFWFLSA-N 1 3 279.472 2.312 10 0 CEAEHO CC(C)C[NH2+]CC1CCN(CCOC(F)(F)F)CC1 ZINC000089052189 179694187 /nfs/dbraw/zinc/69/41/87/179694187.db2.gz XLABQXDYZYGNMG-UHFFFAOYSA-N 1 3 282.350 2.480 10 0 CEAEHO C[C@H](N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400511186 233179415 /nfs/dbraw/zinc/17/94/15/233179415.db2.gz FNOAMRUZERRZRU-ATLSCFEFSA-N 1 3 287.451 2.095 10 0 CEAEHO C[C@H](CN(C)Cc1ccccc1)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400514772 233179976 /nfs/dbraw/zinc/17/99/76/233179976.db2.gz MSNGGJAWHOBMSO-HLLBOEOZSA-N 1 3 275.440 2.095 10 0 CEAEHO CCCC[N@H+](C[C@@H]1COC[C@@H]1NCCC)C1CC1 ZINC000090566428 180006077 /nfs/dbraw/zinc/00/60/77/180006077.db2.gz WBXLSOAEWYEGLK-HIFRSBDPSA-N 1 3 254.418 2.266 10 0 CEAEHO CCCC[N@@H+](C[C@@H]1COC[C@@H]1NCCC)C1CC1 ZINC000090566428 180006079 /nfs/dbraw/zinc/00/60/79/180006079.db2.gz WBXLSOAEWYEGLK-HIFRSBDPSA-N 1 3 254.418 2.266 10 0 CEAEHO CCCCN(C[C@@H]1COC[C@@H]1[NH2+]CCC)C1CC1 ZINC000090566428 180006081 /nfs/dbraw/zinc/00/60/81/180006081.db2.gz WBXLSOAEWYEGLK-HIFRSBDPSA-N 1 3 254.418 2.266 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000090566760 180006540 /nfs/dbraw/zinc/00/65/40/180006540.db2.gz HKPBYOZLGRWYEP-RCCFBDPRSA-N 1 3 288.435 2.491 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000090566760 180006542 /nfs/dbraw/zinc/00/65/42/180006542.db2.gz HKPBYOZLGRWYEP-RCCFBDPRSA-N 1 3 288.435 2.491 10 0 CEAEHO CCC[NH2+][C@@H]1COC[C@H]1CN1CC[C@H](c2ccccc2)C1 ZINC000090566760 180006544 /nfs/dbraw/zinc/00/65/44/180006544.db2.gz HKPBYOZLGRWYEP-RCCFBDPRSA-N 1 3 288.435 2.491 10 0 CEAEHO CC(C)[N@H+](Cc1cccs1)C[C@@]1(C)COC[C@@H]1N ZINC000090606836 180011353 /nfs/dbraw/zinc/01/13/53/180011353.db2.gz UZHFLGMQUXRQMA-KBPBESRZSA-N 1 3 268.426 2.322 10 0 CEAEHO CC(C)[N@@H+](Cc1cccs1)C[C@@]1(C)COC[C@@H]1N ZINC000090606836 180011355 /nfs/dbraw/zinc/01/13/55/180011355.db2.gz UZHFLGMQUXRQMA-KBPBESRZSA-N 1 3 268.426 2.322 10 0 CEAEHO CC(C)N(Cc1cccs1)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606836 180011356 /nfs/dbraw/zinc/01/13/56/180011356.db2.gz UZHFLGMQUXRQMA-KBPBESRZSA-N 1 3 268.426 2.322 10 0 CEAEHO C[C@H]([NH3+])[C@H]1CCCN(C[C@@H]2Cc3ccccc3O2)C1 ZINC000090873621 180050203 /nfs/dbraw/zinc/05/02/03/180050203.db2.gz ZZEMARNDIDWPGI-QEJZJMRPSA-N 1 3 260.381 2.049 10 0 CEAEHO C[C@H]([NH3+])C1CCN(C[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090878932 180053186 /nfs/dbraw/zinc/05/31/86/180053186.db2.gz OQWRKKYTBWOLKO-XHDPSFHLSA-N 1 3 278.371 2.188 10 0 CEAEHO Fc1ccc2c(c1)C[C@@H](C[NH2+]C[C@H]1CCN(C3CC3)C1)O2 ZINC000090892242 180053774 /nfs/dbraw/zinc/05/37/74/180053774.db2.gz KCSIYWBTHYBXOO-WBMJQRKESA-N 1 3 290.382 2.203 10 0 CEAEHO Fc1ccc2c(c1)C[C@@H](CNC[C@H]1CC[N@@H+](C3CC3)C1)O2 ZINC000090892242 180053776 /nfs/dbraw/zinc/05/37/76/180053776.db2.gz KCSIYWBTHYBXOO-WBMJQRKESA-N 1 3 290.382 2.203 10 0 CEAEHO Fc1ccc2c(c1)C[C@@H](CNC[C@H]1CC[N@H+](C3CC3)C1)O2 ZINC000090892242 180053778 /nfs/dbraw/zinc/05/37/78/180053778.db2.gz KCSIYWBTHYBXOO-WBMJQRKESA-N 1 3 290.382 2.203 10 0 CEAEHO Cc1ccc2c(c1)C[C@H](CN[C@H](C)CC[NH+](C)C)O2 ZINC000090897740 180056751 /nfs/dbraw/zinc/05/67/51/180056751.db2.gz QUYJJSKYNVXJHV-UKRRQHHQSA-N 1 3 262.397 2.228 10 0 CEAEHO CC(C)C[NH2+]CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090907811 180061761 /nfs/dbraw/zinc/06/17/61/180061761.db2.gz BAGHYOSXSXIFOM-KFWWJZLASA-N 1 3 254.418 2.264 10 0 CEAEHO CC(C)[NH2+]CCCCCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907854 180061767 /nfs/dbraw/zinc/06/17/67/180061767.db2.gz JBFBTGCWVDCBQQ-GASCZTMLSA-N 1 3 254.418 2.408 10 0 CEAEHO CC(=O)Nc1ccsc1C[NH2+][C@H](C)CCN(C)C ZINC000090960469 180075543 /nfs/dbraw/zinc/07/55/43/180075543.db2.gz DVPGJLPLJAZNLH-SNVBAGLBSA-N 1 3 269.414 2.136 10 0 CEAEHO CC(C)[C@@H]1CCC[N@H+](CC[C@@H]2CNCCO2)CC1 ZINC000091314289 180134092 /nfs/dbraw/zinc/13/40/92/180134092.db2.gz MKHAYGXJIZIFHW-HUUCEWRRSA-N 1 3 254.418 2.123 10 0 CEAEHO CC(C)[C@@H]1CCC[N@@H+](CC[C@@H]2CNCCO2)CC1 ZINC000091314289 180134093 /nfs/dbraw/zinc/13/40/93/180134093.db2.gz MKHAYGXJIZIFHW-HUUCEWRRSA-N 1 3 254.418 2.123 10 0 CEAEHO Cc1nc(N2CCC[C@@H]([NH+](C)C)C2)sc1CNC1CC1 ZINC000091431999 180153383 /nfs/dbraw/zinc/15/33/83/180153383.db2.gz CPDYGKOMADWVIS-CYBMUJFWSA-N 1 3 294.468 2.234 10 0 CEAEHO CC(C)CNCc1cncc(OCC[C@@H]2CCC[N@@H+]2C)n1 ZINC000091434619 180154448 /nfs/dbraw/zinc/15/44/48/180154448.db2.gz UJGQJGBPZFRVKR-HNNXBMFYSA-N 1 3 292.427 2.085 10 0 CEAEHO CC(C)CNCc1cncc(OCC[C@@H]2CCC[N@H+]2C)n1 ZINC000091434619 180154450 /nfs/dbraw/zinc/15/44/50/180154450.db2.gz UJGQJGBPZFRVKR-HNNXBMFYSA-N 1 3 292.427 2.085 10 0 CEAEHO CC[C@@](C)(C[NH2+]C(C)C)CN(C)CC1CC(O)C1 ZINC000091490538 180169809 /nfs/dbraw/zinc/16/98/09/180169809.db2.gz XOEGCWRMQIYFND-NRXISQOPSA-N 1 3 256.434 2.103 10 0 CEAEHO CCNC[C@@](C)(C[N@H+](C)CC1CC(O)C1)c1ccccc1 ZINC000091490346 180169958 /nfs/dbraw/zinc/16/99/58/180169958.db2.gz VZGGMGWFGJHFNK-VJFUWPCTSA-N 1 3 290.451 2.257 10 0 CEAEHO CCNC[C@@](C)(C[N@@H+](C)CC1CC(O)C1)c1ccccc1 ZINC000091490346 180169960 /nfs/dbraw/zinc/16/99/60/180169960.db2.gz VZGGMGWFGJHFNK-VJFUWPCTSA-N 1 3 290.451 2.257 10 0 CEAEHO CCC[NH2+][C@@H](C)C(C)(C)CN1CCN(CCC)CC1 ZINC000091402259 180146860 /nfs/dbraw/zinc/14/68/60/180146860.db2.gz SRPUMYRBFHHFJX-HNNXBMFYSA-N 1 3 269.477 2.428 10 0 CEAEHO CC[C@H](C)N1CCN(CC(C)(C)[C@@H](C)[NH2+]C)CC1 ZINC000091404648 180147518 /nfs/dbraw/zinc/14/75/18/180147518.db2.gz PRKSOUSUYKABIU-UONOGXRCSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[C@@](C)([C@H]([NH3+])CC1CCOCC1)N1CCCC1 ZINC000091604755 180204262 /nfs/dbraw/zinc/20/42/62/180204262.db2.gz VDBWPLGMQUXVLM-CABCVRRESA-N 1 3 254.418 2.395 10 0 CEAEHO CC[NH+](CC)C1([C@H](Cc2ccnc(N)c2)NC)CCCC1 ZINC000091639437 180211956 /nfs/dbraw/zinc/21/19/56/180211956.db2.gz XFQSZAJKHMDYTR-HNNXBMFYSA-N 1 3 290.455 2.449 10 0 CEAEHO Nc1ccncc1C[C@H]([NH3+])C1(N2CCCCC2)CCCC1 ZINC000091641861 180213301 /nfs/dbraw/zinc/21/33/01/180213301.db2.gz AEJOAHGPUSFIAL-INIZCTEOSA-N 1 3 288.439 2.332 10 0 CEAEHO CN(C)C1(C(=O)Cc2c[nH+]ccc2N)CCCCC1 ZINC000091646517 180215674 /nfs/dbraw/zinc/21/56/74/180215674.db2.gz QQWHQZHTOFJJON-UHFFFAOYSA-N 1 3 261.369 2.040 10 0 CEAEHO CCN[C@@H](CC[NH+](CC)CC)Cc1cc(CC)nn1C ZINC000091716561 180232419 /nfs/dbraw/zinc/23/24/19/180232419.db2.gz HQWOWPOYBXUZFP-HNNXBMFYSA-N 1 3 280.460 2.235 10 0 CEAEHO CC[NH2+][C@@H](CCN(CC)CC)Cc1cc(CC)nn1C ZINC000091716561 180232421 /nfs/dbraw/zinc/23/24/21/180232421.db2.gz HQWOWPOYBXUZFP-HNNXBMFYSA-N 1 3 280.460 2.235 10 0 CEAEHO CCc1nn(C)c(C[C@H](N)CC[NH+](CC)CC)c1Cl ZINC000091715770 180232953 /nfs/dbraw/zinc/23/29/53/180232953.db2.gz PBEWULQJWPTSEU-LLVKDONJSA-N 1 3 286.851 2.238 10 0 CEAEHO CCN(Cc1c(C)nn(C)c1Cl)C1CCC([NH3+])CC1 ZINC000091850801 180272060 /nfs/dbraw/zinc/27/20/60/180272060.db2.gz YRTOBSJCTSXLRR-UHFFFAOYSA-N 1 3 284.835 2.474 10 0 CEAEHO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2CN)C[C@H]1C ZINC000092082138 180319573 /nfs/dbraw/zinc/31/95/73/180319573.db2.gz LCFCJPOCONEKMJ-BETUJISGSA-N 1 3 275.396 2.062 10 0 CEAEHO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2CN)C[C@H]1C ZINC000092082138 180319574 /nfs/dbraw/zinc/31/95/74/180319574.db2.gz LCFCJPOCONEKMJ-BETUJISGSA-N 1 3 275.396 2.062 10 0 CEAEHO C[C@@H]1C[NH+](CC2(CNC3CC3)CCOCC2)C[C@H]1C ZINC000092088350 180321023 /nfs/dbraw/zinc/32/10/23/180321023.db2.gz VYXXIAPWQPJECQ-ZIAGYGMSSA-N 1 3 266.429 2.123 10 0 CEAEHO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2cccc(CN3CCCC3)c2)C1 ZINC000092202934 180343310 /nfs/dbraw/zinc/34/33/10/180343310.db2.gz XZMGMELAFRDRNV-CABCVRRESA-N 1 3 285.391 2.124 10 0 CEAEHO CCCc1nc(N2CC[C@H]([NH+](CC)CC)C2)sc1CN ZINC000110275469 186289377 /nfs/dbraw/zinc/28/93/77/186289377.db2.gz FZCJSLNZSPJMSP-LBPRGKRZSA-N 1 3 296.484 2.475 10 0 CEAEHO C[NH+](C)[C@@H]1CCN(c2nc(C(C)(C)C)c(CN)s2)C1 ZINC000110275275 186289534 /nfs/dbraw/zinc/28/95/34/186289534.db2.gz ZBXYNDUVYMKRTI-SNVBAGLBSA-N 1 3 282.457 2.040 10 0 CEAEHO Cc1nn(C)c(C)c1[C@H](C)N1CCC([C@H](C)[NH3+])CC1 ZINC000110645667 186308429 /nfs/dbraw/zinc/30/84/29/186308429.db2.gz NIEIIUUVBVBRJP-GWCFXTLKSA-N 1 3 264.417 2.157 10 0 CEAEHO CCOc1cccc([C@H](C[NH3+])N2CCN(CC)[C@@H](C)C2)c1 ZINC000110708672 186313676 /nfs/dbraw/zinc/31/36/76/186313676.db2.gz XKFZKZVFQHZCIS-YOEHRIQHSA-N 1 3 291.439 2.111 10 0 CEAEHO Cc1ccc(C)c([C@H]([NH3+])CN2CCN(C)C(C)(C)C2)c1 ZINC000110716495 186315690 /nfs/dbraw/zinc/31/56/90/186315690.db2.gz KDKGQEYLJABZGJ-MRXNPFEDSA-N 1 3 275.440 2.329 10 0 CEAEHO C[C@H]1CN(Cc2ccccc2C[NH2+]C2CC2)CCN1C ZINC000110752283 186321434 /nfs/dbraw/zinc/32/14/34/186321434.db2.gz LQRJFEDARZORCV-AWEZNQCLSA-N 1 3 273.424 2.075 10 0 CEAEHO CN(CC1CC[NH+](C)CC1)[C@H](CN)c1cccc(F)c1F ZINC000111040087 186347092 /nfs/dbraw/zinc/34/70/92/186347092.db2.gz HPMGBFOMUFKOKC-OAHLLOKOSA-N 1 3 297.393 2.238 10 0 CEAEHO C[C@@H]1CC(C)(C)C[C@@](C[NH3+])(N(C)CCN(C)C)C1 ZINC000111132450 186356697 /nfs/dbraw/zinc/35/66/97/186356697.db2.gz BIOCJZXENDPPHT-HIFRSBDPSA-N 1 3 255.450 2.024 10 0 CEAEHO C[C@@H]1CC(C)(C)C[C@@](CN)([N@H+](C)CCN(C)C)C1 ZINC000111132450 186356699 /nfs/dbraw/zinc/35/66/99/186356699.db2.gz BIOCJZXENDPPHT-HIFRSBDPSA-N 1 3 255.450 2.024 10 0 CEAEHO C[C@@H]1CC(C)(C)C[C@@](CN)([N@@H+](C)CCN(C)C)C1 ZINC000111132450 186356701 /nfs/dbraw/zinc/35/67/01/186356701.db2.gz BIOCJZXENDPPHT-HIFRSBDPSA-N 1 3 255.450 2.024 10 0 CEAEHO CCOc1ccc([C@H](C)[NH3+])cc1CN(C)CCN(C)C ZINC000111135063 186356994 /nfs/dbraw/zinc/35/69/94/186356994.db2.gz RMYYTZGBYHXCEH-ZDUSSCGKSA-N 1 3 279.428 2.098 10 0 CEAEHO CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1N(C)CCN(C)C ZINC000111135156 186357270 /nfs/dbraw/zinc/35/72/70/186357270.db2.gz RHFLEELXYFENHQ-XHSDSOJGSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@@H]([C@@H](N)c1ccccc1)N(C)CCC[NH+](C)C ZINC000111136094 186357366 /nfs/dbraw/zinc/35/73/66/186357366.db2.gz BXEQNXKERCSSSV-HOTGVXAUSA-N 1 3 263.429 2.349 10 0 CEAEHO CCOc1ccccc1[C@H](CN(C)CCC[NH+](C)C)NC ZINC000111136300 186357671 /nfs/dbraw/zinc/35/76/71/186357671.db2.gz SYIYHZIGYIYBKY-INIZCTEOSA-N 1 3 293.455 2.229 10 0 CEAEHO CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1N(C)CCN(C)C ZINC000111135520 186358010 /nfs/dbraw/zinc/35/80/10/186358010.db2.gz YDQHKVYUJZIDGU-DLBZAZTESA-N 1 3 275.440 2.145 10 0 CEAEHO C[C@H](N)c1cc(F)ccc1N(C)CCC[NH+](C)C ZINC000111138571 186358025 /nfs/dbraw/zinc/35/80/25/186358025.db2.gz JYQIQLGSIPQSJV-NSHDSACASA-N 1 3 253.365 2.233 10 0 CEAEHO CC[NH2+][C@@H]1CCC[C@@H]1CN(C)C[C@@H]1CCCOC1 ZINC000111171735 186365507 /nfs/dbraw/zinc/36/55/07/186365507.db2.gz BNQBTMKJYYITSY-RRFJBIMHSA-N 1 3 254.418 2.123 10 0 CEAEHO CC(C)[NH2+]C[C@]1(CN(CCO)C2CCCC2)CCCOC1 ZINC000111327411 186398404 /nfs/dbraw/zinc/39/84/04/186398404.db2.gz XKKQKWUNUDFWIC-KRWDZBQOSA-N 1 3 298.471 2.018 10 0 CEAEHO CCC(CC)[N@H+](CCOC)C[C@@]1(CNC)CCCOC1 ZINC000111328263 186399371 /nfs/dbraw/zinc/39/93/71/186399371.db2.gz XTHRVOGHNPLTBL-INIZCTEOSA-N 1 3 286.460 2.140 10 0 CEAEHO CCC(CC)[N@@H+](CCOC)C[C@@]1(CNC)CCCOC1 ZINC000111328263 186399372 /nfs/dbraw/zinc/39/93/72/186399372.db2.gz XTHRVOGHNPLTBL-INIZCTEOSA-N 1 3 286.460 2.140 10 0 CEAEHO CCC(CC)N(CCOC)C[C@@]1(C[NH2+]C)CCCOC1 ZINC000111328263 186399374 /nfs/dbraw/zinc/39/93/74/186399374.db2.gz XTHRVOGHNPLTBL-INIZCTEOSA-N 1 3 286.460 2.140 10 0 CEAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(CN2CCCC2)c1 ZINC000111265522 186382023 /nfs/dbraw/zinc/38/20/23/186382023.db2.gz TULZZAQDOMDQAY-CZUORRHYSA-N 1 3 287.407 2.076 10 0 CEAEHO CC[NH2+][C@@H](C)[C@@H]1CCCN(CC2CCOCC2)C1 ZINC000111706976 186447991 /nfs/dbraw/zinc/44/79/91/186447991.db2.gz UCYFAYZLFVOLLX-DZGCQCFKSA-N 1 3 254.418 2.123 10 0 CEAEHO Cc1c[nH+]ccc1NCCCNCc1cccnc1 ZINC000070489746 363091741 /nfs/dbraw/zinc/09/17/41/363091741.db2.gz NNIKSNQGCFBABC-UHFFFAOYSA-N 1 3 256.353 2.377 10 0 CEAEHO C[C@@H]([NH2+]CCCOc1ccccc1)[C@@H]1CCCNC1 ZINC000578004989 366428348 /nfs/dbraw/zinc/42/83/48/366428348.db2.gz ZCGRRXCNDLBPHP-HUUCEWRRSA-N 1 3 262.397 2.433 10 0 CEAEHO C[C@@H](NCCCOc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000578004989 366428352 /nfs/dbraw/zinc/42/83/52/366428352.db2.gz ZCGRRXCNDLBPHP-HUUCEWRRSA-N 1 3 262.397 2.433 10 0 CEAEHO O[C@H]1CCCC[C@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000085977610 363837274 /nfs/dbraw/zinc/83/72/74/363837274.db2.gz IITRRLIHXICVIO-YOEHRIQHSA-N 1 3 289.423 2.191 10 0 CEAEHO COc1ccccc1CCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000583982025 367124282 /nfs/dbraw/zinc/12/42/82/367124282.db2.gz FKLJIOJJRCMTTP-ZFWWWQNUSA-N 1 3 262.397 2.215 10 0 CEAEHO COc1ccccc1CC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000583982025 367124288 /nfs/dbraw/zinc/12/42/88/367124288.db2.gz FKLJIOJJRCMTTP-ZFWWWQNUSA-N 1 3 262.397 2.215 10 0 CEAEHO COc1ccc(C)cc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261590908 371666447 /nfs/dbraw/zinc/66/64/47/371666447.db2.gz LSJRUEXVVVLBGM-CFVMTHIKSA-N 1 3 260.381 2.173 10 0 CEAEHO CC(C)(C)[C@@H](O)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298251231 378696223 /nfs/dbraw/zinc/69/62/23/378696223.db2.gz DLDOJMRNMLHHMX-HNNXBMFYSA-N 1 3 277.412 2.047 10 0 CEAEHO CCCN(Cc1cc(C)nn1CC)CC1CC[NH2+]CC1 ZINC000094025573 184751368 /nfs/dbraw/zinc/75/13/68/184751368.db2.gz MQAQTEGIFLUYDB-UHFFFAOYSA-N 1 3 278.444 2.423 10 0 CEAEHO c1ccc2c(c1)nccc2N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261582940 285526280 /nfs/dbraw/zinc/52/62/80/285526280.db2.gz GXLKZASANFZNMP-MRXNPFEDSA-N 1 3 253.349 2.425 10 0 CEAEHO [NH3+]CCC1(CN2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000088249128 135053495 /nfs/dbraw/zinc/05/34/95/135053495.db2.gz LHJXMPBZXHACTK-UHFFFAOYSA-N 1 3 277.387 2.077 10 0 CEAEHO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc(Cl)c(CN)n1 ZINC000094443304 135088457 /nfs/dbraw/zinc/08/84/57/135088457.db2.gz UIKZPBWBADYWDB-VXGBXAGGSA-N 1 3 294.830 2.257 10 0 CEAEHO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc(Cl)c(CN)n1 ZINC000094443304 135088459 /nfs/dbraw/zinc/08/84/59/135088459.db2.gz UIKZPBWBADYWDB-VXGBXAGGSA-N 1 3 294.830 2.257 10 0 CEAEHO C[C@H]1CN2CCCC[C@@H]2CN1c1ccc(CC[NH3+])cc1F ZINC000094444592 135088778 /nfs/dbraw/zinc/08/87/78/135088778.db2.gz OGHXISKTPZTEQZ-DZGCQCFKSA-N 1 3 291.414 2.390 10 0 CEAEHO CCC[NH2+]Cc1ccc(N2CCN3CCCC[C@@H]3C2)nc1 ZINC000094443193 135088827 /nfs/dbraw/zinc/08/88/27/135088827.db2.gz LKOQGHHDVYOORZ-MRXNPFEDSA-N 1 3 288.439 2.256 10 0 CEAEHO C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C1CNC1 ZINC000422816274 394807363 /nfs/dbraw/zinc/80/73/63/394807363.db2.gz DWUYUBZBMYJNRZ-LSJOCFKGSA-N 1 3 250.308 2.305 10 0 CEAEHO Cc1ccccc1[C@@H](C[NH3+])N1CCN(CC(C)C)CC1 ZINC000020179449 171044060 /nfs/dbraw/zinc/04/40/60/171044060.db2.gz YJKNOVJNHPKCSK-QGZVFWFLSA-N 1 3 275.440 2.268 10 0 CEAEHO CC(C)CN1CCN([C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000020179522 171044122 /nfs/dbraw/zinc/04/41/22/171044122.db2.gz LSFNRHVCEUPYJH-MRXNPFEDSA-N 1 3 279.403 2.099 10 0 CEAEHO CCC[NH+](CCC)C1(CN)C[C@H]2CC[C@@H](C1)N2C ZINC000020524100 171237186 /nfs/dbraw/zinc/23/71/86/171237186.db2.gz GPODFHVVAYUCIC-YIONKMFJSA-N 1 3 253.434 2.063 10 0 CEAEHO CCCN(CCC)CC(=O)Nc1cccc(C[NH3+])c1 ZINC000022152203 171359706 /nfs/dbraw/zinc/35/97/06/171359706.db2.gz YYSMUSNYECGWDC-UHFFFAOYSA-N 1 3 263.385 2.206 10 0 CEAEHO C[C@H]([NH3+])Cc1cccc(OCCN2CCCCC2)c1 ZINC000037726564 173644933 /nfs/dbraw/zinc/64/49/33/173644933.db2.gz VDIJPLRJJVMBBE-AWEZNQCLSA-N 1 3 262.397 2.441 10 0 CEAEHO NC[C@H](c1ccncc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000043353919 175020977 /nfs/dbraw/zinc/02/09/77/175020977.db2.gz SKGGSUUFUUKEPU-QGZVFWFLSA-N 1 3 288.439 2.032 10 0 CEAEHO CCC[C@@H]([NH2+]C)[C@@H](CC)N(C)C1CCN(C)CC1 ZINC000043815236 175112018 /nfs/dbraw/zinc/11/20/18/175112018.db2.gz SQHAXTGRBKDHMJ-HUUCEWRRSA-N 1 3 255.450 2.179 10 0 CEAEHO CCc1ccc([C@H](CN2CCCN(C)CC2)[NH2+]C)cc1 ZINC000043818221 175113009 /nfs/dbraw/zinc/11/30/09/175113009.db2.gz MQIKXGIMPCYMAP-KRWDZBQOSA-N 1 3 275.440 2.147 10 0 CEAEHO CC[NH2+][C@@H]1CCCCCC[C@@H]1N1CCCN(C)CC1 ZINC000043818343 175113108 /nfs/dbraw/zinc/11/31/08/175113108.db2.gz HZUPZQCOKAWVJQ-CVEARBPZSA-N 1 3 267.461 2.325 10 0 CEAEHO CCC[NH2+][C@@H]1CCC[C@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965692 175127360 /nfs/dbraw/zinc/12/73/60/175127360.db2.gz YRBINQMFBIRAHH-HUUCEWRRSA-N 1 3 267.461 2.323 10 0 CEAEHO CCCNC(=O)CCN[C@H](C)[C@H]1CCC[N@H+](CCC)C1 ZINC000045072523 175301798 /nfs/dbraw/zinc/30/17/98/175301798.db2.gz VEVCXTLGVNRXGK-CABCVRRESA-N 1 3 283.460 2.003 10 0 CEAEHO CCCNC(=O)CCN[C@H](C)[C@H]1CCC[N@@H+](CCC)C1 ZINC000045072523 175301800 /nfs/dbraw/zinc/30/18/00/175301800.db2.gz VEVCXTLGVNRXGK-CABCVRRESA-N 1 3 283.460 2.003 10 0 CEAEHO CCCNC(=O)CC[NH2+][C@H](C)[C@H]1CCCN(CCC)C1 ZINC000045072523 175301801 /nfs/dbraw/zinc/30/18/01/175301801.db2.gz VEVCXTLGVNRXGK-CABCVRRESA-N 1 3 283.460 2.003 10 0 CEAEHO CC(C)CCOCCN1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000045109375 175309652 /nfs/dbraw/zinc/30/96/52/175309652.db2.gz HTLXONJLOVKBLC-GASCZTMLSA-N 1 3 256.434 2.227 10 0 CEAEHO CC(C)N1CC[C@H](C[NH2+]CC2(O)CCCCC2)C1 ZINC000045134870 175312493 /nfs/dbraw/zinc/31/24/93/175312493.db2.gz DBCDVVVTRLXKLI-CQSZACIVSA-N 1 3 254.418 2.002 10 0 CEAEHO CC(C)[N@@H+]1CC[C@@H](CNC2=NC(C)(C)CS2)C1 ZINC000045136109 175313661 /nfs/dbraw/zinc/31/36/61/175313661.db2.gz FSXBZJYJDFVNQU-NSHDSACASA-N 1 3 255.431 2.188 10 0 CEAEHO CC(C)[N@H+]1CC[C@@H](CNC2=NC(C)(C)CS2)C1 ZINC000045136109 175313662 /nfs/dbraw/zinc/31/36/62/175313662.db2.gz FSXBZJYJDFVNQU-NSHDSACASA-N 1 3 255.431 2.188 10 0 CEAEHO CCOC1CCN(Cc2ccc(CC[NH3+])cc2)CC1 ZINC000070542674 175978127 /nfs/dbraw/zinc/97/81/27/175978127.db2.gz VHGHCEXUQJLEFO-UHFFFAOYSA-N 1 3 262.397 2.189 10 0 CEAEHO CC[C@@H]1CCC[C@](CN)([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000071124614 176035002 /nfs/dbraw/zinc/03/50/02/176035002.db2.gz AQRSEHPGXXGZDG-OAGGEKHMSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@@H]1CCC[C@](CN)([N@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000071124614 176035003 /nfs/dbraw/zinc/03/50/03/176035003.db2.gz AQRSEHPGXXGZDG-OAGGEKHMSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@H]1CCCC[C@@]1(CN)[N@H+](C)CCN1CCCC1 ZINC000071162229 176046741 /nfs/dbraw/zinc/04/67/41/176046741.db2.gz FOTZLLXPPYRMDP-HOTGVXAUSA-N 1 3 267.461 2.312 10 0 CEAEHO CC[C@H]1CCCC[C@@]1(CN)[N@@H+](C)CCN1CCCC1 ZINC000071162229 176046742 /nfs/dbraw/zinc/04/67/42/176046742.db2.gz FOTZLLXPPYRMDP-HOTGVXAUSA-N 1 3 267.461 2.312 10 0 CEAEHO CN(C[C@H]1CC[N@H+](C)C1)c1cc(Cl)ccc1CN ZINC000071187586 176060657 /nfs/dbraw/zinc/06/06/57/176060657.db2.gz SIGOKDQGECMENF-NSHDSACASA-N 1 3 267.804 2.187 10 0 CEAEHO CN(C[C@H]1CC[N@@H+](C)C1)c1cc(Cl)ccc1CN ZINC000071187586 176060658 /nfs/dbraw/zinc/06/06/58/176060658.db2.gz SIGOKDQGECMENF-NSHDSACASA-N 1 3 267.804 2.187 10 0 CEAEHO CN(C[C@H]1CC[N@H+](C)C1)[C@@H](CN)c1ccccc1Cl ZINC000071188026 176061494 /nfs/dbraw/zinc/06/14/94/176061494.db2.gz JOFHEYFVFOKTLY-WFASDCNBSA-N 1 3 281.831 2.223 10 0 CEAEHO CN(C[C@H]1CC[N@@H+](C)C1)[C@@H](CN)c1ccccc1Cl ZINC000071188026 176061495 /nfs/dbraw/zinc/06/14/95/176061495.db2.gz JOFHEYFVFOKTLY-WFASDCNBSA-N 1 3 281.831 2.223 10 0 CEAEHO CC[C@@H](C)C[C@@](CC)(CN)[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188594 176063483 /nfs/dbraw/zinc/06/34/83/176063483.db2.gz MGXOSEADHSRVPY-OAGGEKHMSA-N 1 3 269.477 2.414 10 0 CEAEHO CC[C@@H](C)C[C@@](CC)(CN)[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188594 176063484 /nfs/dbraw/zinc/06/34/84/176063484.db2.gz MGXOSEADHSRVPY-OAGGEKHMSA-N 1 3 269.477 2.414 10 0 CEAEHO Cc1ccc([C@@H](O)C[N@@H+](C)C[C@@H]2CCN(C)C2)c(C)c1 ZINC000071190694 176067332 /nfs/dbraw/zinc/06/73/32/176067332.db2.gz VMXZEQDYKMDDTJ-WBVHZDCISA-N 1 3 276.424 2.220 10 0 CEAEHO Cc1ccc([C@@H](O)C[N@H+](C)C[C@@H]2CCN(C)C2)c(C)c1 ZINC000071190694 176067333 /nfs/dbraw/zinc/06/73/33/176067333.db2.gz VMXZEQDYKMDDTJ-WBVHZDCISA-N 1 3 276.424 2.220 10 0 CEAEHO CCN([C@@H]1CC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000071312261 176118756 /nfs/dbraw/zinc/11/87/56/176118756.db2.gz YLPRLJVWQLQDST-QZTJIDSGSA-N 1 3 287.451 2.335 10 0 CEAEHO CC[C@@]1(C)CN(CCCn2ccnc2)[C@H](C(C)C)C[NH2+]1 ZINC000071356937 176136708 /nfs/dbraw/zinc/13/67/08/176136708.db2.gz XMVAPDPVLKRFIE-HOTGVXAUSA-N 1 3 278.444 2.372 10 0 CEAEHO CC[NH+](CC)CCOc1nc2ccccc2cc1CN ZINC000071385920 176147319 /nfs/dbraw/zinc/14/73/19/176147319.db2.gz WOKPDABQEWBEEY-UHFFFAOYSA-N 1 3 273.380 2.414 10 0 CEAEHO CCC[NH2+]Cc1cc(C)ccc1OCCN(C)C ZINC000071406365 176155886 /nfs/dbraw/zinc/15/58/86/176155886.db2.gz AIQKDKYGVPQZAJ-UHFFFAOYSA-N 1 3 250.386 2.435 10 0 CEAEHO C[C@H](NCCOCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000667006703 419510970 /nfs/dbraw/zinc/51/09/70/419510970.db2.gz UXYYTFMLIWQBFR-GOEBONIOSA-N 1 3 262.397 2.181 10 0 CEAEHO C[C@H]([NH2+]CCOCc1ccccc1)[C@@H]1CCCNC1 ZINC000667006703 419510980 /nfs/dbraw/zinc/51/09/80/419510980.db2.gz UXYYTFMLIWQBFR-GOEBONIOSA-N 1 3 262.397 2.181 10 0 CEAEHO CC1(C)CN(Cc2ccccc2)CC[C@H]1N[C@@H]1CC[NH2+]C1 ZINC000390555420 262216653 /nfs/dbraw/zinc/21/66/53/262216653.db2.gz LFUUICPNYHESCS-IAGOWNOFSA-N 1 3 287.451 2.239 10 0 CEAEHO CC(C)[C@H](CN(C)Cc1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000398004124 270355465 /nfs/dbraw/zinc/35/54/65/270355465.db2.gz PMLAXQPBBDPLNT-SJORKVTESA-N 1 3 275.440 2.095 10 0 CEAEHO CC(=O)Nc1cccc([C@H](C)N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000251554681 278210090 /nfs/dbraw/zinc/21/00/90/278210090.db2.gz RDYRWGYGKNDXEW-HZUKXOBISA-N 1 3 275.396 2.423 10 0 CEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](N)CC1CCCCC1 ZINC000261813013 279300462 /nfs/dbraw/zinc/30/04/62/279300462.db2.gz ZWPBYVSNTKWFAS-HZPDHXFCSA-N 1 3 295.471 2.227 10 0 CEAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](N)CC1CCCCC1 ZINC000261813013 279300463 /nfs/dbraw/zinc/30/04/63/279300463.db2.gz ZWPBYVSNTKWFAS-HZPDHXFCSA-N 1 3 295.471 2.227 10 0 CEAEHO CCC[C@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)N(C)C ZINC000245659580 280255442 /nfs/dbraw/zinc/25/54/42/280255442.db2.gz HDUWSIGUTKKUEE-BFYDXBDKSA-N 1 3 297.487 2.343 10 0 CEAEHO CC[C@H]1CCCC[C@H]1NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333466414 281069817 /nfs/dbraw/zinc/06/98/17/281069817.db2.gz HMTILSQFKZKWTD-GXTWGEPZSA-N 1 3 291.443 2.330 10 0 CEAEHO CCC[C@@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)N(C)C ZINC000153786033 289123031 /nfs/dbraw/zinc/12/30/31/289123031.db2.gz UWSGMZKJYBFXDW-INIZCTEOSA-N 1 3 297.487 2.297 10 0 CEAEHO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@H]1CCCNC1 ZINC000576268516 314257596 /nfs/dbraw/zinc/25/75/96/314257596.db2.gz CKDOCIHRWFGVOE-GVRJEKJASA-N 1 3 278.440 2.312 10 0 CEAEHO CC[NH2+][C@H](C)c1cnc(N(C)[C@@H]2CCCN(C)C2)s1 ZINC000054905616 520181703 /nfs/dbraw/zinc/18/17/03/520181703.db2.gz OLPAUTCEFGJOTJ-VXGBXAGGSA-N 1 3 282.457 2.344 10 0 CEAEHO CCC[C@](C)(C[NH2+]C)CN1CCN([C@@H](C)CC)CC1 ZINC000055071673 521267537 /nfs/dbraw/zinc/26/75/37/521267537.db2.gz ZOXSYGJNKHPVGL-JKSUJKDBSA-N 1 3 269.477 2.428 10 0 CEAEHO C(CC1CC[NH2+]CC1)CN1CCO[C@H]2CCCC[C@@H]21 ZINC000050953922 518384326 /nfs/dbraw/zinc/38/43/26/518384326.db2.gz IEFXGTQNGPUAPD-HOTGVXAUSA-N 1 3 266.429 2.410 10 0 CEAEHO CC(C)(C)[NH2+]CC1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000068890160 518755994 /nfs/dbraw/zinc/75/59/94/518755994.db2.gz AUGDHMCPXVTOAP-LLVKDONJSA-N 1 3 282.350 2.010 10 0 CEAEHO CC(C)(C)[NH2+]C[C@@H]1CC[C@@H](COCCN2CCCC2)O1 ZINC000052670486 518760414 /nfs/dbraw/zinc/76/04/14/518760414.db2.gz UYALFMCSUZCYPT-GJZGRUSLSA-N 1 3 284.444 2.035 10 0 CEAEHO CC(C)(C)[NH2+]C[C@H]1CC[C@@H](COCCN2CCCCC2)O1 ZINC000052671058 518762032 /nfs/dbraw/zinc/76/20/32/518762032.db2.gz RUMCICDBXLFXQT-CVEARBPZSA-N 1 3 298.471 2.425 10 0 CEAEHO CC(C)CN(CCN(C)C)C[C@@H](C)C[NH2+]C(C)C ZINC000052503297 519716143 /nfs/dbraw/zinc/71/61/43/519716143.db2.gz ANMCZYPZXLKANA-HNNXBMFYSA-N 1 3 257.466 2.140 10 0 CEAEHO CC(C)CN1CCN([C@@H](C[NH3+])c2ccc(F)c(F)c2)CC1 ZINC000055078551 519727505 /nfs/dbraw/zinc/72/75/05/519727505.db2.gz OGLGZGRIODJFDJ-INIZCTEOSA-N 1 3 297.393 2.238 10 0 CEAEHO CC(C)C[NH2+]CC1(CN(C)C2CCOCC2)CCOCC1 ZINC000052181927 519742765 /nfs/dbraw/zinc/74/27/65/519742765.db2.gz YFVRTEBAHMFDSN-UHFFFAOYSA-N 1 3 298.471 2.140 10 0 CEAEHO CC(C)C[NH2+]C[C@@H](C)CN1CCN(C2CCCC2)CC1 ZINC000052573485 519744601 /nfs/dbraw/zinc/74/46/01/519744601.db2.gz NPWZMHGVATUGKT-MRXNPFEDSA-N 1 3 281.488 2.428 10 0 CEAEHO CC(C)OCC[N@@H+]1CCCN[C@H](Cc2ccccc2)C1 ZINC000062670314 519765810 /nfs/dbraw/zinc/76/58/10/519765810.db2.gz KEHUJQDTMPHTAJ-QGZVFWFLSA-N 1 3 276.424 2.318 10 0 CEAEHO CC(C)OCC[N@H+]1CCCN[C@H](Cc2ccccc2)C1 ZINC000062670314 519765811 /nfs/dbraw/zinc/76/58/11/519765811.db2.gz KEHUJQDTMPHTAJ-QGZVFWFLSA-N 1 3 276.424 2.318 10 0 CEAEHO CC(C)[C@@H]1CC[C@@H](N)[C@H]([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061643349 519803407 /nfs/dbraw/zinc/80/34/07/519803407.db2.gz MXSZSACDEOADIC-KLHDSHLOSA-N 1 3 267.461 2.164 10 0 CEAEHO CC(C)[C@@H]1CC[C@@H](N)[C@H]([N@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061643349 519803408 /nfs/dbraw/zinc/80/34/08/519803408.db2.gz MXSZSACDEOADIC-KLHDSHLOSA-N 1 3 267.461 2.164 10 0 CEAEHO CCCN1CCN(Cc2ccccc2C[NH2+]CC)CC1 ZINC000052422077 519858962 /nfs/dbraw/zinc/85/89/62/519858962.db2.gz HVOUGRHIQUWIGB-UHFFFAOYSA-N 1 3 275.440 2.324 10 0 CEAEHO CCC[NH2+]CC1(CN2CCC[C@H]2CCCO)CCOCC1 ZINC000052763423 519911407 /nfs/dbraw/zinc/91/14/07/519911407.db2.gz JCGTYNNPWPYLOG-INIZCTEOSA-N 1 3 298.471 2.020 10 0 CEAEHO CCC[NH2+]C[C@@H](C)CN1CCN(C2CCCC2)CC1 ZINC000052573477 519919929 /nfs/dbraw/zinc/91/99/29/519919929.db2.gz VVXYKARUQWLNDP-OAHLLOKOSA-N 1 3 267.461 2.182 10 0 CEAEHO CC[NH2+]Cc1ccc(CN(CCOC)[C@@H](C)COC)cc1 ZINC000052572425 519995974 /nfs/dbraw/zinc/99/59/74/519995974.db2.gz SEDBFOAGSPLCSP-HNNXBMFYSA-N 1 3 294.439 2.279 10 0 CEAEHO CC[NH2+]Cc1ccoc1CN(CC)[C@@H](C)COC ZINC000052504760 520010867 /nfs/dbraw/zinc/01/08/67/520010867.db2.gz GJNXEPXMENTPGP-LBPRGKRZSA-N 1 3 254.374 2.246 10 0 CEAEHO CC[NH2+][C@@H](CC)[C@@H](C)N1CCN(CC(C)C)CC1 ZINC000055079126 520081310 /nfs/dbraw/zinc/08/13/10/520081310.db2.gz IUARQHIMRJALOA-CABCVRRESA-N 1 3 255.450 2.037 10 0 CEAEHO CCO[C@H](CN)C[NH+]1CCC2(CCCCC2)CC1 ZINC000062739931 520518418 /nfs/dbraw/zinc/51/84/18/520518418.db2.gz HIWFWOPVWYDPRC-CQSZACIVSA-N 1 3 254.418 2.397 10 0 CEAEHO CCO[C@H](CN)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000062739457 520518308 /nfs/dbraw/zinc/51/83/08/520518308.db2.gz QPWQTLBTRPUCEI-QGZVFWFLSA-N 1 3 276.424 2.305 10 0 CEAEHO CCO[C@H](C[NH3+])CN1CCC(Cc2ccccc2)CC1 ZINC000062739457 520518312 /nfs/dbraw/zinc/51/83/12/520518312.db2.gz QPWQTLBTRPUCEI-QGZVFWFLSA-N 1 3 276.424 2.305 10 0 CEAEHO CCO[C@H](C[NH3+])CN1CCC2(CCCCC2)CC1 ZINC000062739931 520518426 /nfs/dbraw/zinc/51/84/26/520518426.db2.gz HIWFWOPVWYDPRC-CQSZACIVSA-N 1 3 254.418 2.397 10 0 CEAEHO CCC[C@@H]1C[N@H+](CCn2ccnc2C)[C@@H](CCC)CN1 ZINC000068700449 520838011 /nfs/dbraw/zinc/83/80/11/520838011.db2.gz OVUKYHMGBZAEDR-CVEARBPZSA-N 1 3 278.444 2.434 10 0 CEAEHO CCC[C@@H]1C[N@@H+](CCn2ccnc2C)[C@@H](CCC)CN1 ZINC000068700449 520838020 /nfs/dbraw/zinc/83/80/20/520838020.db2.gz OVUKYHMGBZAEDR-CVEARBPZSA-N 1 3 278.444 2.434 10 0 CEAEHO CCCN(CCN(C)C)[C@@H](C)CC[NH2+]CC(C)C ZINC000052544303 521657730 /nfs/dbraw/zinc/65/77/30/521657730.db2.gz URPYARIKJQUMTK-HNNXBMFYSA-N 1 3 257.466 2.284 10 0 CEAEHO C[NH+](C)CCOCc1ccoc1CNC(C)(C)C ZINC000052669917 521794340 /nfs/dbraw/zinc/79/43/40/521794340.db2.gz ALEOQCLCZBPLEV-UHFFFAOYSA-N 1 3 254.374 2.246 10 0 CEAEHO CN(C)C[C@H]1CCCN1CC[NH2+]CCC(C)(C)C ZINC000061655220 521869472 /nfs/dbraw/zinc/86/94/72/521869472.db2.gz KPZQTRMSVDHBPG-CQSZACIVSA-N 1 3 255.450 2.038 10 0 CEAEHO CC[C@@H](C)N(C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181186 522048897 /nfs/dbraw/zinc/04/88/97/522048897.db2.gz UJEJMVMEAGECMV-CYBMUJFWSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[C@@H](C)[N@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052181186 522048883 /nfs/dbraw/zinc/04/88/83/522048883.db2.gz UJEJMVMEAGECMV-CYBMUJFWSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[C@@H](C)[N@@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052181186 522048891 /nfs/dbraw/zinc/04/88/91/522048891.db2.gz UJEJMVMEAGECMV-CYBMUJFWSA-N 1 3 254.418 2.266 10 0 CEAEHO C[NH2+]C[C@H](c1ccccc1)N(CCN(C)C)CC(C)C ZINC000052503410 522077598 /nfs/dbraw/zinc/07/75/98/522077598.db2.gz JJGWXLGXBOKDIT-QGZVFWFLSA-N 1 3 277.456 2.467 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000055063993 522128327 /nfs/dbraw/zinc/12/83/27/522128327.db2.gz KCECECIUHPOVGD-CJNGLKHVSA-N 1 3 279.403 2.242 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000055063752 522129465 /nfs/dbraw/zinc/12/94/65/522129465.db2.gz DIHCMEBMRBONJG-BFYDXBDKSA-N 1 3 275.440 2.491 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C[NH3+])c2ccccc2F)CC1 ZINC000055064013 522131558 /nfs/dbraw/zinc/13/15/58/522131558.db2.gz AQFOOQQNLVBSOC-CZUORRHYSA-N 1 3 279.403 2.242 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](CC[NH3+])c2ccccc2)CC1 ZINC000055064244 522131584 /nfs/dbraw/zinc/13/15/84/522131584.db2.gz SINFHTCOKHQQDG-NVXWUHKLSA-N 1 3 275.440 2.493 10 0 CEAEHO C[NH2+]Cc1cnc(N2CC[C@@H](N3CCCC3)C2)c(Cl)c1 ZINC000062971446 522148345 /nfs/dbraw/zinc/14/83/45/522148345.db2.gz MWPPZVWIWRUOLH-CYBMUJFWSA-N 1 3 294.830 2.129 10 0 CEAEHO CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](CN)c1cc2ccccc2o1 ZINC000068812045 523071831 /nfs/dbraw/zinc/07/18/31/523071831.db2.gz ZBXASBARTODUNI-HIFRSBDPSA-N 1 3 287.407 2.316 10 0 CEAEHO CN(C[C@@H]1CC[N@@H+](C)C1)[C@@H](CN)c1cc2ccccc2o1 ZINC000068812045 523071839 /nfs/dbraw/zinc/07/18/39/523071839.db2.gz ZBXASBARTODUNI-HIFRSBDPSA-N 1 3 287.407 2.316 10 0 CEAEHO CC[C@H]1CO[C@@H](C)CN1CCC[C@@H]1CCCC[NH2+]1 ZINC000050953208 523344446 /nfs/dbraw/zinc/34/44/46/523344446.db2.gz NBHXCDPBQPSZEG-KKUMJFAQSA-N 1 3 254.418 2.408 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@@H](C)C[NH2+]C(C)C)CC1 ZINC000055074714 523954617 /nfs/dbraw/zinc/95/46/17/523954617.db2.gz LYRJHTHJKQVICC-GJZGRUSLSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000055065562 523954819 /nfs/dbraw/zinc/95/48/19/523954819.db2.gz QHUHPTNRKAFRKS-GOEBONIOSA-N 1 3 261.413 2.103 10 0 CEAEHO C[C@@H]1CCC[C@@](CN)([N@@H+]2CC[C@H](N3CCCC3)C2)[C@@H]1C ZINC000068629860 524336863 /nfs/dbraw/zinc/33/68/63/524336863.db2.gz BUBKGUNDSUYVMO-NCOADZHNSA-N 1 3 279.472 2.310 10 0 CEAEHO C[C@@H]1CCC[C@@](CN)([N@H+]2CC[C@H](N3CCCC3)C2)[C@@H]1C ZINC000068629860 524336870 /nfs/dbraw/zinc/33/68/70/524336870.db2.gz BUBKGUNDSUYVMO-NCOADZHNSA-N 1 3 279.472 2.310 10 0 CEAEHO C[C@@H](CCN(C)C)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000049553774 524478302 /nfs/dbraw/zinc/47/83/02/524478302.db2.gz GDOIKWXPDWJFMG-DOTOQJQBSA-N 1 3 275.440 2.191 10 0 CEAEHO C[C@@H](CC[NH+](C)C)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000049553774 524478318 /nfs/dbraw/zinc/47/83/18/524478318.db2.gz GDOIKWXPDWJFMG-DOTOQJQBSA-N 1 3 275.440 2.191 10 0 CEAEHO C[C@@H](N)c1c(F)cccc1N1CCC[C@@H]1C[NH+](C)C ZINC000061644799 525024796 /nfs/dbraw/zinc/02/47/96/525024796.db2.gz WJJUEACOLQBSQL-VXGBXAGGSA-N 1 3 265.376 2.376 10 0 CEAEHO C[C@@H]([NH3+])c1ccc(NC(=O)N[C@H](C)CN2CCCC2)cc1 ZINC000049189690 525027714 /nfs/dbraw/zinc/02/77/14/525027714.db2.gz WOSSZXIXGWROND-CHWSQXEVSA-N 1 3 290.411 2.312 10 0 CEAEHO C[C@@H]([NH3+])c1ccc(OCCN(C)C)c(Br)c1 ZINC000061699560 525029172 /nfs/dbraw/zinc/02/91/72/525029172.db2.gz NDLNURUUBZJEOU-SECBINFHSA-N 1 3 287.201 2.409 10 0 CEAEHO C[C@@H]1[C@@H](C)CCC[C@]1(C[NH3+])N1CCN(CC2CC2)CC1 ZINC000068628186 525649994 /nfs/dbraw/zinc/64/99/94/525649994.db2.gz AYGCGLVDEONFFY-ZMSDIMECSA-N 1 3 279.472 2.168 10 0 CEAEHO C[C@@H]([C@H](N)c1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062979148 526022993 /nfs/dbraw/zinc/02/29/93/526022993.db2.gz HJSDPJPRSAPZSX-XIRDDKMYSA-N 1 3 273.424 2.245 10 0 CEAEHO NC[C@H]1CCCCC[C@H]1[N@@H+]1CCC[C@@H]1CCCO ZINC000052758166 527229836 /nfs/dbraw/zinc/22/98/36/527229836.db2.gz KKXNLLPZCNZCDX-RBSFLKMASA-N 1 3 254.418 2.131 10 0 CEAEHO NC[C@H]1CCCCC[C@H]1[N@H+]1CCC[C@@H]1CCCO ZINC000052758166 527229842 /nfs/dbraw/zinc/22/98/42/527229842.db2.gz KKXNLLPZCNZCDX-RBSFLKMASA-N 1 3 254.418 2.131 10 0 CEAEHO CC(C)CN1CCC2(CC1)[NH2+]CC[C@H](C1CC1)O2 ZINC000757154275 574511130 /nfs/dbraw/zinc/51/11/30/574511130.db2.gz ZQQRGEFERCKWAT-CQSZACIVSA-N 1 3 252.402 2.223 10 0 CEAEHO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@]1(C)CCCCN1 ZINC000136193220 344383942 /nfs/dbraw/zinc/38/39/42/344383942.db2.gz LHMLWLNGXSKWOS-ZBFHGGJFSA-N 1 3 283.460 2.145 10 0 CEAEHO OC1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000097678102 185650541 /nfs/dbraw/zinc/65/05/41/185650541.db2.gz DSFLIBXWWXIKKG-SVXVCFNTSA-N 1 3 266.429 2.190 10 0 CEAEHO CC[C@@](CN)(C1CC1)[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC000086120759 179234694 /nfs/dbraw/zinc/23/46/94/179234694.db2.gz OABNIRHVGPHSBU-JKSUJKDBSA-N 1 3 265.445 2.064 10 0 CEAEHO CC[C@@](CN)(C1CC1)[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000086120759 179234696 /nfs/dbraw/zinc/23/46/96/179234696.db2.gz OABNIRHVGPHSBU-JKSUJKDBSA-N 1 3 265.445 2.064 10 0 CEAEHO CC[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1[C@@H]1CCCN(CC)C1 ZINC000086172523 179244100 /nfs/dbraw/zinc/24/41/00/179244100.db2.gz QGASANBRWDEDOY-BZUAXINKSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1CN[C@@H](C(C)C)C[N@H+]1[C@@H]1CCCN(CC)C1 ZINC000086172523 179244102 /nfs/dbraw/zinc/24/41/02/179244102.db2.gz QGASANBRWDEDOY-BZUAXINKSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1[C@@H]1CCCN(CC)C1 ZINC000086172523 179244104 /nfs/dbraw/zinc/24/41/04/179244104.db2.gz QGASANBRWDEDOY-BZUAXINKSA-N 1 3 267.461 2.179 10 0 CEAEHO CC(C)C[C@@H]1C[N@@H+]([C@@H]2CN3CCC2CC3)[C@H](C(C)C)CN1 ZINC000086182719 179247961 /nfs/dbraw/zinc/24/79/61/179247961.db2.gz NZPUTSGJLVVONJ-FGTMMUONSA-N 1 3 293.499 2.425 10 0 CEAEHO CC(C)C[C@@H]1C[N@H+]([C@@H]2CN3CCC2CC3)[C@H](C(C)C)CN1 ZINC000086182719 179247963 /nfs/dbraw/zinc/24/79/63/179247963.db2.gz NZPUTSGJLVVONJ-FGTMMUONSA-N 1 3 293.499 2.425 10 0 CEAEHO CCC[C@@H]1C[N@H+](C[C@@H]2CCN(C)C2)[C@H](C(C)C)CN1 ZINC000086223178 179252566 /nfs/dbraw/zinc/25/25/66/179252566.db2.gz UUWDXNWAEUYIHU-OAGGEKHMSA-N 1 3 267.461 2.037 10 0 CEAEHO CCC[C@@H]1C[N@@H+](C[C@@H]2CCN(C)C2)[C@H](C(C)C)CN1 ZINC000086223178 179252568 /nfs/dbraw/zinc/25/25/68/179252568.db2.gz UUWDXNWAEUYIHU-OAGGEKHMSA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1[C@@H]1CCCN(C)C1 ZINC000086224013 179253798 /nfs/dbraw/zinc/25/37/98/179253798.db2.gz GCKFSOSLVDFSLD-HRCADAONSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1CN[C@@H](CC(C)C)C[N@@H+]1[C@@H]1CCCN(C)C1 ZINC000086224013 179253801 /nfs/dbraw/zinc/25/38/01/179253801.db2.gz GCKFSOSLVDFSLD-HRCADAONSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1CN[C@@H](CC(C)C)C[N@H+]1[C@@H]1CCCN(C)C1 ZINC000086224013 179253802 /nfs/dbraw/zinc/25/38/02/179253802.db2.gz GCKFSOSLVDFSLD-HRCADAONSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@]1(C)C[N@H+]([C@@H]2CCN(C3CC3)C2)[C@H](C(C)C)CN1 ZINC000086259595 179258179 /nfs/dbraw/zinc/25/81/79/179258179.db2.gz PJDKVFQODQMQJL-IXDOHACOSA-N 1 3 279.472 2.322 10 0 CEAEHO CC[C@]1(C)C[N@@H+]([C@@H]2CCN(C3CC3)C2)[C@H](C(C)C)CN1 ZINC000086259595 179258180 /nfs/dbraw/zinc/25/81/80/179258180.db2.gz PJDKVFQODQMQJL-IXDOHACOSA-N 1 3 279.472 2.322 10 0 CEAEHO CC[C@H]1CN[C@@](C)(CC)C[N@@H+]1C[C@@H]1CCCCN1C ZINC000086259340 179258649 /nfs/dbraw/zinc/25/86/49/179258649.db2.gz RZVUWVANHKMODE-JYJNAYRXSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@H]1CN[C@@](C)(CC)C[N@H+]1C[C@@H]1CCCCN1C ZINC000086259340 179258651 /nfs/dbraw/zinc/25/86/51/179258651.db2.gz RZVUWVANHKMODE-JYJNAYRXSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1CC1CCN(C)CC1 ZINC000086258987 179256500 /nfs/dbraw/zinc/25/65/00/179256500.db2.gz OCCCFKPOWXVNRM-IRXDYDNUSA-N 1 3 279.472 2.181 10 0 CEAEHO CC[C@H]1CN[C@](C)(C2CC2)C[N@H+]1CC1CCN(C)CC1 ZINC000086258987 179256501 /nfs/dbraw/zinc/25/65/01/179256501.db2.gz OCCCFKPOWXVNRM-IRXDYDNUSA-N 1 3 279.472 2.181 10 0 CEAEHO CC[C@H](C)[C@@H]1CN(C[C@@H]2CCCCN2C)CCC[NH2+]1 ZINC000086291661 179266138 /nfs/dbraw/zinc/26/61/38/179266138.db2.gz LMBVTENBKFTTNN-JYJNAYRXSA-N 1 3 267.461 2.181 10 0 CEAEHO COC[C@H](C)C[N@@H+]1CCCNC2(CCCCC2)C1 ZINC000086293193 179266479 /nfs/dbraw/zinc/26/64/79/179266479.db2.gz MQPJRMMRXCWHFN-CQSZACIVSA-N 1 3 254.418 2.267 10 0 CEAEHO COC[C@H](C)C[N@H+]1CCCNC2(CCCCC2)C1 ZINC000086293193 179266480 /nfs/dbraw/zinc/26/64/80/179266480.db2.gz MQPJRMMRXCWHFN-CQSZACIVSA-N 1 3 254.418 2.267 10 0 CEAEHO COC[C@H](C)CN1CCC[NH2+]C2(CCCCC2)C1 ZINC000086293193 179266481 /nfs/dbraw/zinc/26/64/81/179266481.db2.gz MQPJRMMRXCWHFN-CQSZACIVSA-N 1 3 254.418 2.267 10 0 CEAEHO CC[C@@H](C)[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H]2OC)CCCN1 ZINC000086293502 179267527 /nfs/dbraw/zinc/26/75/27/179267527.db2.gz NLBYXSPJTXIWOZ-BARDWOONSA-N 1 3 254.418 2.264 10 0 CEAEHO CC[C@@H](C)[C@@H]1C[N@H+]([C@@H]2CCC[C@@H]2OC)CCCN1 ZINC000086293502 179267529 /nfs/dbraw/zinc/26/75/29/179267529.db2.gz NLBYXSPJTXIWOZ-BARDWOONSA-N 1 3 254.418 2.264 10 0 CEAEHO CC[C@@H](C)[C@@H]1CN([C@@H]2CCC[C@@H]2OC)CCC[NH2+]1 ZINC000086293502 179267530 /nfs/dbraw/zinc/26/75/30/179267530.db2.gz NLBYXSPJTXIWOZ-BARDWOONSA-N 1 3 254.418 2.264 10 0 CEAEHO CN[C@H]1CCCc2sc(N3CCC[C@@H]3C[NH+](C)C)nc21 ZINC000086443984 179294171 /nfs/dbraw/zinc/29/41/71/179294171.db2.gz UJUSBJWCEVKDDD-NEPJUHHUSA-N 1 3 294.468 2.270 10 0 CEAEHO CCC[NH+]1CCC(O)([C@@H]2NCc3ccccc32)CC1 ZINC000086666671 179317389 /nfs/dbraw/zinc/31/73/89/179317389.db2.gz NJGCFFMHNDPYHI-OAHLLOKOSA-N 1 3 260.381 2.068 10 0 CEAEHO CCN1CCC[C@@H]([NH2+]CCCc2c[nH]nc2C)CC1 ZINC000086843821 179352589 /nfs/dbraw/zinc/35/25/89/179352589.db2.gz VECHIAPVTCUARQ-OAHLLOKOSA-N 1 3 264.417 2.115 10 0 CEAEHO C[C@H]1CCC[C@@](O)(C[NH2+]CCCN2CCCC2)C1 ZINC000087064895 179389988 /nfs/dbraw/zinc/38/99/88/179389988.db2.gz HWMFFINWOATIEN-GJZGRUSLSA-N 1 3 254.418 2.003 10 0 CEAEHO C[C@H]1CCC[C@@](O)(CNCCC[NH+]2CCCC2)C1 ZINC000087064895 179389989 /nfs/dbraw/zinc/38/99/89/179389989.db2.gz HWMFFINWOATIEN-GJZGRUSLSA-N 1 3 254.418 2.003 10 0 CEAEHO CCC[C@H](C[NH3+])C(=O)Nc1ccc(CN(C)C)cc1 ZINC000087521781 179439598 /nfs/dbraw/zinc/43/95/98/179439598.db2.gz DHCZROJPGRXQPB-CYBMUJFWSA-N 1 3 263.385 2.062 10 0 CEAEHO C[NH2+]C[C@H](OC[C@H]1CCCCN1C)c1ccccc1 ZINC000088166348 179561443 /nfs/dbraw/zinc/56/14/43/179561443.db2.gz TVBJODZENFKBMU-CVEARBPZSA-N 1 3 262.397 2.448 10 0 CEAEHO Cc1cc(F)ccc1CCN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400335275 233176758 /nfs/dbraw/zinc/17/67/58/233176758.db2.gz DARCQEMPPFRNIQ-OCCSQVGLSA-N 1 3 250.361 2.264 10 0 CEAEHO COC[C@H](CCC[NH3+])N[C@@H](C)c1cc(F)ccc1F ZINC000234801604 539740319 /nfs/dbraw/zinc/74/03/19/539740319.db2.gz VAVKMPIYUWDHBZ-JQWIXIFHSA-N 1 3 272.339 2.369 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[N@H+](CCOC)C(CC)CC ZINC000090566572 180006305 /nfs/dbraw/zinc/00/63/05/180006305.db2.gz OHLXFIMDKJQNKN-GDBMZVCRSA-N 1 3 286.460 2.138 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[N@@H+](CCOC)C(CC)CC ZINC000090566572 180006306 /nfs/dbraw/zinc/00/63/06/180006306.db2.gz OHLXFIMDKJQNKN-GDBMZVCRSA-N 1 3 286.460 2.138 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[N@H+](C)CCc1ccccc1 ZINC000090567215 180006373 /nfs/dbraw/zinc/00/63/73/180006373.db2.gz CVFNZEFDSFSCRR-DLBZAZTESA-N 1 3 276.424 2.176 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[N@@H+](C)CCc1ccccc1 ZINC000090567215 180006374 /nfs/dbraw/zinc/00/63/74/180006374.db2.gz CVFNZEFDSFSCRR-DLBZAZTESA-N 1 3 276.424 2.176 10 0 CEAEHO C[C@@H]1CCNC(C)(C)C[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090878332 180051722 /nfs/dbraw/zinc/05/17/22/180051722.db2.gz DVYXFIKZNFAUTB-HIFRSBDPSA-N 1 3 274.408 2.453 10 0 CEAEHO C[C@@H]1CCNC(C)(C)C[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090878332 180051723 /nfs/dbraw/zinc/05/17/23/180051723.db2.gz DVYXFIKZNFAUTB-HIFRSBDPSA-N 1 3 274.408 2.453 10 0 CEAEHO C[C@H]([NH3+])[C@H]1CCCN(Cc2c[nH]c3ncccc23)C1 ZINC000091019734 180088323 /nfs/dbraw/zinc/08/83/23/180088323.db2.gz DUTBIGTUQHOLAZ-RYUDHWBXSA-N 1 3 258.369 2.122 10 0 CEAEHO [NH3+]CC1(C2(O)CCN(Cc3ccccc3)CC2)CCC1 ZINC000669376910 539758046 /nfs/dbraw/zinc/75/80/46/539758046.db2.gz AXSYSDIHJYGIAF-UHFFFAOYSA-N 1 3 274.408 2.143 10 0 CEAEHO CCC[NH2+][C@H]1CCCC[C@H]1CN(C)CC1CC(O)C1 ZINC000091490560 180170116 /nfs/dbraw/zinc/17/01/16/180170116.db2.gz UXSNZQSQGADDKF-GRAKBVBRSA-N 1 3 268.445 2.248 10 0 CEAEHO CC[NH2+][C@H](C)C(C)(C)CN1CCN([C@H](C)CC)CC1 ZINC000091404642 180146991 /nfs/dbraw/zinc/14/69/91/180146991.db2.gz AZFIQVPYAYNIMT-HUUCEWRRSA-N 1 3 269.477 2.427 10 0 CEAEHO CC(C)([C@@H](O)Cc1cnccc1N)[NH+]1CCCCCC1 ZINC000091567571 180194839 /nfs/dbraw/zinc/19/48/39/180194839.db2.gz UOKBFMOEDMYCQI-HNNXBMFYSA-N 1 3 277.412 2.222 10 0 CEAEHO Cc1ccc(C)c(C[C@H](N)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091720585 180236533 /nfs/dbraw/zinc/23/65/33/180236533.db2.gz JILSWROLSNWTIM-IKGGRYGDSA-N 1 3 274.408 2.036 10 0 CEAEHO Cc1ccc(C)c(C[C@H](N)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000091720585 180236534 /nfs/dbraw/zinc/23/65/34/180236534.db2.gz JILSWROLSNWTIM-IKGGRYGDSA-N 1 3 274.408 2.036 10 0 CEAEHO CCN(CC(=O)N(C(C)C)C(C)C)C1CCC([NH3+])CC1 ZINC000091850707 180272012 /nfs/dbraw/zinc/27/20/12/180272012.db2.gz SKSNZGMUQKSAAP-UHFFFAOYSA-N 1 3 283.460 2.224 10 0 CEAEHO CCN(Cc1cn2ccccc2n1)C1CCC([NH3+])CC1 ZINC000091849721 180272293 /nfs/dbraw/zinc/27/22/93/180272293.db2.gz MPKPAVDVTMHJBC-UHFFFAOYSA-N 1 3 272.396 2.426 10 0 CEAEHO CCC[NH2+]C1CCC(N(C)[C@@H](C)C(=O)NC(C)C)CC1 ZINC000091870213 180277313 /nfs/dbraw/zinc/27/73/13/180277313.db2.gz CRBSCFRLNMZBGI-NFOMZHRRSA-N 1 3 283.460 2.142 10 0 CEAEHO C[NH2+]C1CCC(N(C)CC(=O)Nc2ccccc2C)CC1 ZINC000091870546 180277351 /nfs/dbraw/zinc/27/73/51/180277351.db2.gz DGXNKDYPJIVLOE-UHFFFAOYSA-N 1 3 289.423 2.396 10 0 CEAEHO CCC[NH2+]C1CCC(N(C)Cc2cnn(C)c2)CC1 ZINC000091870026 180277541 /nfs/dbraw/zinc/27/75/41/180277541.db2.gz VQHGJMJJQRWECV-UHFFFAOYSA-N 1 3 264.417 2.163 10 0 CEAEHO CC(C)N1CCC[C@@](CN)([N@@H+]2C[C@H](C)[C@H](C)C2)CC1 ZINC000092082583 180319323 /nfs/dbraw/zinc/31/93/23/180319323.db2.gz OLVCKUQLMXJOJK-OWCLPIDISA-N 1 3 267.461 2.166 10 0 CEAEHO CC(C)N1CCC[C@@](CN)([N@H+]2C[C@H](C)[C@H](C)C2)CC1 ZINC000092082583 180319324 /nfs/dbraw/zinc/31/93/24/180319324.db2.gz OLVCKUQLMXJOJK-OWCLPIDISA-N 1 3 267.461 2.166 10 0 CEAEHO C[C@@H]1C[NH+](CCC(=O)Nc2ccccc2CN)C[C@H]1C ZINC000092082141 180319693 /nfs/dbraw/zinc/31/96/93/180319693.db2.gz LCFCJPOCONEKMJ-CHWSQXEVSA-N 1 3 275.396 2.062 10 0 CEAEHO CCCNCC1(C[NH+]2C[C@H](C)[C@@H](C)C2)CCOCC1 ZINC000092088580 180321094 /nfs/dbraw/zinc/32/10/94/180321094.db2.gz YWXXWXHFNRXDQL-GJZGRUSLSA-N 1 3 268.445 2.371 10 0 CEAEHO CC(C)NCC1(C[NH+]2C[C@H](C)[C@@H](C)C2)CCOCC1 ZINC000092088680 180321355 /nfs/dbraw/zinc/32/13/55/180321355.db2.gz IWAZNXZOBGRNJF-GJZGRUSLSA-N 1 3 268.445 2.369 10 0 CEAEHO CCC[C@H](Cc1nc(CCN(CC)CC)no1)[NH2+]CC ZINC000109496161 186256422 /nfs/dbraw/zinc/25/64/22/186256422.db2.gz BPTZCTPHNWBEDX-CYBMUJFWSA-N 1 3 282.432 2.275 10 0 CEAEHO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCCCC[C@@H]2CN)C1 ZINC000109684680 186269145 /nfs/dbraw/zinc/26/91/45/186269145.db2.gz ISUZKRBSERKQTD-RBSFLKMASA-N 1 3 282.428 2.169 10 0 CEAEHO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCCCC[C@@H]2CN)C1 ZINC000109684680 186269147 /nfs/dbraw/zinc/26/91/47/186269147.db2.gz ISUZKRBSERKQTD-RBSFLKMASA-N 1 3 282.428 2.169 10 0 CEAEHO CCOC(=O)[C@@H]1CCCN([C@@H]2CCCCC[C@@H]2C[NH3+])C1 ZINC000109684680 186269149 /nfs/dbraw/zinc/26/91/49/186269149.db2.gz ISUZKRBSERKQTD-RBSFLKMASA-N 1 3 282.428 2.169 10 0 CEAEHO CCC[C@H](C)CN1CCN([C@H](C[NH3+])CCC)CC1 ZINC000109461715 186253857 /nfs/dbraw/zinc/25/38/57/186253857.db2.gz MDRULEOIQKWAQW-GJZGRUSLSA-N 1 3 255.450 2.168 10 0 CEAEHO CCC[C@H](C[NH3+])N1CCN(C[C@@H](C)CCC)CC1 ZINC000109461721 186254002 /nfs/dbraw/zinc/25/40/02/186254002.db2.gz MDRULEOIQKWAQW-LSDHHAIUSA-N 1 3 255.450 2.168 10 0 CEAEHO C[NH2+]Cc1sc(N2CC[C@@H](N3CCCCC3)C2)nc1C ZINC000110275732 186289383 /nfs/dbraw/zinc/28/93/83/186289383.db2.gz ACQRZVKYVJEAGX-CYBMUJFWSA-N 1 3 294.468 2.236 10 0 CEAEHO CCn1cc([C@H](C)N2CCC([C@@H](C)[NH3+])CC2)cn1 ZINC000110645690 186308906 /nfs/dbraw/zinc/30/89/06/186308906.db2.gz LSDHHTFNEHSMFD-NEPJUHHUSA-N 1 3 250.390 2.023 10 0 CEAEHO CCCN(CCN(C)C)[C@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000110977709 186339493 /nfs/dbraw/zinc/33/94/93/186339493.db2.gz FGJIRASYYSDQQZ-MRXNPFEDSA-N 1 3 281.419 2.408 10 0 CEAEHO CC[C@@H]1CN([C@@H](c2ccc(C)cc2)[C@@H](C)[NH3+])CCN1C ZINC000110703760 186314303 /nfs/dbraw/zinc/31/43/03/186314303.db2.gz MTFWTTXJOQEDSZ-DJIMGWMZSA-N 1 3 275.440 2.409 10 0 CEAEHO CC[C@@H]1CN([C@@H](C[NH3+])c2cccc(C)c2)CCN1C ZINC000110703800 186314817 /nfs/dbraw/zinc/31/48/17/186314817.db2.gz IOYQCNVWIJIRCA-CVEARBPZSA-N 1 3 261.413 2.021 10 0 CEAEHO CCC[NH2+][C@H]1CCCC[C@@H]1N1CCN(C)C(C)(C)C1 ZINC000110717336 186315576 /nfs/dbraw/zinc/31/55/76/186315576.db2.gz JCRKTGOWYGNBMN-GJZGRUSLSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CCN(C)C(C)(C)C1 ZINC000110716612 186315659 /nfs/dbraw/zinc/31/56/59/186315659.db2.gz GIUHMODRFGMGJH-DLBZAZTESA-N 1 3 287.451 2.288 10 0 CEAEHO CC[C@H]1CN([C@@H]2CCc3ccccc3[C@@H]2[NH3+])CCN1C ZINC000110715227 186316064 /nfs/dbraw/zinc/31/60/64/186316064.db2.gz ROGZOVVTPFURRA-UAGQMJEPSA-N 1 3 273.424 2.027 10 0 CEAEHO CC[C@@H]1CN(C2(C[NH3+])CCCCCC2)CCN1C ZINC000110711109 186316096 /nfs/dbraw/zinc/31/60/96/186316096.db2.gz ORTNDBMAUBUWHQ-CQSZACIVSA-N 1 3 253.434 2.064 10 0 CEAEHO CC[C@@H]1C[N@@H+](C2(CN)CCCCCC2)CCN1C ZINC000110711109 186316097 /nfs/dbraw/zinc/31/60/97/186316097.db2.gz ORTNDBMAUBUWHQ-CQSZACIVSA-N 1 3 253.434 2.064 10 0 CEAEHO CC[C@@H]1C[N@H+](C2(CN)CCCCCC2)CCN1C ZINC000110711109 186316098 /nfs/dbraw/zinc/31/60/98/186316098.db2.gz ORTNDBMAUBUWHQ-CQSZACIVSA-N 1 3 253.434 2.064 10 0 CEAEHO Cc1ccc([C@@H](C[NH3+])N2CCN(C)C(C)(C)C2)cc1C ZINC000110711571 186316696 /nfs/dbraw/zinc/31/66/96/186316696.db2.gz YOQNYQAMXDABHW-MRXNPFEDSA-N 1 3 275.440 2.329 10 0 CEAEHO CCN1CCN(CC2(C[NH2+]C3CC3)CCCC2)C[C@@H]1C ZINC000110745617 186318722 /nfs/dbraw/zinc/31/87/22/186318722.db2.gz QDNGPLOLKRKBKH-HNNXBMFYSA-N 1 3 279.472 2.325 10 0 CEAEHO CC[C@H]1CN(CC(C)(C)C[NH2+]CC(C)C)CCN1C ZINC000110746644 186318970 /nfs/dbraw/zinc/31/89/70/186318970.db2.gz UBCAPFXQLSQEDP-HNNXBMFYSA-N 1 3 269.477 2.284 10 0 CEAEHO CC[C@@H]1CN([C@@H](C)CC[NH2+]C(C)(C)C)CCN1C ZINC000110754363 186319780 /nfs/dbraw/zinc/31/97/80/186319780.db2.gz QLMYOEIKACBRPR-UONOGXRCSA-N 1 3 255.450 2.179 10 0 CEAEHO CCC[C@@]1(CN2CCN(C)C(C)(C)C2)CCC[NH2+]C1 ZINC000110763028 186323311 /nfs/dbraw/zinc/32/33/11/186323311.db2.gz CLWXMBSBLDRPJB-MRXNPFEDSA-N 1 3 267.461 2.182 10 0 CEAEHO CC(C)CN1CCN([C@H](C[NH3+])c2cccc(F)c2F)CC1 ZINC000111039981 186346445 /nfs/dbraw/zinc/34/64/45/186346445.db2.gz NIOXRNLPPKYJBB-OAHLLOKOSA-N 1 3 297.393 2.238 10 0 CEAEHO CC(C)C[NH2+]C[C@@H](c1ccccc1)N(C)CCN(C)C ZINC000111149913 186360481 /nfs/dbraw/zinc/36/04/81/186360481.db2.gz ZEAVWCWGMBVNGA-KRWDZBQOSA-N 1 3 277.456 2.467 10 0 CEAEHO CN(Cc1ccc(C[NH3+])cc1F)CC1CCOCC1 ZINC000111157452 186361385 /nfs/dbraw/zinc/36/13/85/186361385.db2.gz KSOJMPGHCWGRKW-UHFFFAOYSA-N 1 3 266.360 2.143 10 0 CEAEHO C[N@H+](C[C@@H]1CCCOC1)[C@@H]1CCCCC[C@@H]1CN ZINC000111157298 186361463 /nfs/dbraw/zinc/36/14/63/186361463.db2.gz AQJIZVLKFDDBEU-RRFJBIMHSA-N 1 3 254.418 2.252 10 0 CEAEHO C[N@@H+](C[C@@H]1CCCOC1)[C@@H]1CCCCC[C@@H]1CN ZINC000111157298 186361465 /nfs/dbraw/zinc/36/14/65/186361465.db2.gz AQJIZVLKFDDBEU-RRFJBIMHSA-N 1 3 254.418 2.252 10 0 CEAEHO CC(C)Oc1cccc([C@H](CN)N(C)CCC[NH+](C)C)c1 ZINC000111133964 186356066 /nfs/dbraw/zinc/35/60/66/186356066.db2.gz KFTLCWITZHYCMU-KRWDZBQOSA-N 1 3 293.455 2.357 10 0 CEAEHO C[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N(C)CCN(C)C ZINC000111130218 186356643 /nfs/dbraw/zinc/35/66/43/186356643.db2.gz XPBIEAFUARCZPF-BXUZGUMPSA-N 1 3 269.820 2.222 10 0 CEAEHO CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N(C)CCN(C)C ZINC000111134624 186357941 /nfs/dbraw/zinc/35/79/41/186357941.db2.gz JBARFBNHAHLFNR-KFWWJZLASA-N 1 3 255.450 2.037 10 0 CEAEHO CN(CCC[NH+](C)C)c1cccc(CNC(C)(C)C)n1 ZINC000111149188 186358614 /nfs/dbraw/zinc/35/86/14/186358614.db2.gz SAAKHFALEKYPLH-UHFFFAOYSA-N 1 3 278.444 2.358 10 0 CEAEHO CNCc1cc(N(C)CCC[NH+](C)C)c2ccccc2n1 ZINC000111149244 186358911 /nfs/dbraw/zinc/35/89/11/186358911.db2.gz ZENGTUBENGYRHS-UHFFFAOYSA-N 1 3 286.423 2.342 10 0 CEAEHO CC(C)C[NH2+]Cc1ccc(CN(C)CCN(C)C)cc1 ZINC000111149899 186359987 /nfs/dbraw/zinc/35/99/87/186359987.db2.gz RZFFRDYXUYQTOU-UHFFFAOYSA-N 1 3 277.456 2.426 10 0 CEAEHO CN(C)CCN(C)c1nc2c(s1)[C@H]([NH3+])CC(C)(C)C2 ZINC000111151305 186360136 /nfs/dbraw/zinc/36/01/36/186360136.db2.gz MHSVHSNOMIYRJH-SNVBAGLBSA-N 1 3 282.457 2.113 10 0 CEAEHO CC[NH2+][C@H]1CCC[C@@H]1CN(C)C[C@@H]1CCCOC1 ZINC000111171737 186364781 /nfs/dbraw/zinc/36/47/81/186364781.db2.gz BNQBTMKJYYITSY-ZNMIVQPWSA-N 1 3 254.418 2.123 10 0 CEAEHO CCC[NH2+]C[C@@]1(CN(CCO)C2CCCC2)CCCOC1 ZINC000111327408 186398857 /nfs/dbraw/zinc/39/88/57/186398857.db2.gz GJPBOACUUIPACI-QGZVFWFLSA-N 1 3 298.471 2.020 10 0 CEAEHO CCNC[C@]1(C[N@H+](C)[C@@H](C)C(C)C)CCCOC1 ZINC000111325454 186398941 /nfs/dbraw/zinc/39/89/41/186398941.db2.gz DBVXUIUELQRZIX-GJZGRUSLSA-N 1 3 256.434 2.369 10 0 CEAEHO CCNC[C@]1(C[N@@H+](C)[C@@H](C)C(C)C)CCCOC1 ZINC000111325454 186398942 /nfs/dbraw/zinc/39/89/42/186398942.db2.gz DBVXUIUELQRZIX-GJZGRUSLSA-N 1 3 256.434 2.369 10 0 CEAEHO CCN(CC)C(=O)[C@@H](C)N1CCC(C[NH2+]CC(C)C)CC1 ZINC000111697539 186446322 /nfs/dbraw/zinc/44/63/22/186446322.db2.gz GVSFXPJIVUUJJT-OAHLLOKOSA-N 1 3 297.487 2.201 10 0 CEAEHO O[C@@H](CNCCc1cccc(Cl)c1)C[NH+]1CCCCC1 ZINC000298269715 200378070 /nfs/dbraw/zinc/37/80/70/200378070.db2.gz GFJXISHYSULWGH-INIZCTEOSA-N 1 3 296.842 2.319 10 0 CEAEHO COc1ccc(CC[NH2+][C@H](C)[C@@H]2CCCNC2)cc1 ZINC000580289941 366776010 /nfs/dbraw/zinc/77/60/10/366776010.db2.gz NVLAMCCPLILZKJ-UKRRQHHQSA-N 1 3 262.397 2.215 10 0 CEAEHO COc1ccc(CCN[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000580289941 366776017 /nfs/dbraw/zinc/77/60/17/366776017.db2.gz NVLAMCCPLILZKJ-UKRRQHHQSA-N 1 3 262.397 2.215 10 0 CEAEHO [NH3+][C@H]1CC[C@H](NCc2cnc(Cl)nc2Cl)CC1 ZINC000100267987 364543736 /nfs/dbraw/zinc/54/37/36/364543736.db2.gz OCQGLCWRLONXOQ-DTORHVGOSA-N 1 3 275.183 2.143 10 0 CEAEHO CCC[C@](C)([NH3+])C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000262590668 284006611 /nfs/dbraw/zinc/00/66/11/284006611.db2.gz UTLACDMGIJSFLR-ZOBUZTSGSA-N 1 3 289.423 2.066 10 0 CEAEHO CCC[C@H](N)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000246513168 370971226 /nfs/dbraw/zinc/97/12/26/370971226.db2.gz QQTDSRSFUXGIOQ-KGLIPLIRSA-N 1 3 283.460 2.131 10 0 CEAEHO CCC[C@H](N)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000246513168 370971235 /nfs/dbraw/zinc/97/12/35/370971235.db2.gz QQTDSRSFUXGIOQ-KGLIPLIRSA-N 1 3 283.460 2.131 10 0 CEAEHO CN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000220360660 370232337 /nfs/dbraw/zinc/23/23/37/370232337.db2.gz AGXLLQHNNQSFJH-QZTJIDSGSA-N 1 3 287.451 2.192 10 0 CEAEHO Cc1cnn(CCN[C@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000235477293 370567604 /nfs/dbraw/zinc/56/76/04/370567604.db2.gz SPCHNZMMKRYBJC-HUUCEWRRSA-N 1 3 264.417 2.092 10 0 CEAEHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@H]1CCC[C@H]1c1ccccc1Cl ZINC000263316750 371934537 /nfs/dbraw/zinc/93/45/37/371934537.db2.gz ZOXFZWWNZQIPLG-SHPPOPEUSA-N 1 3 294.826 2.146 10 0 CEAEHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CCC(O)CC1 ZINC000093495967 184685570 /nfs/dbraw/zinc/68/55/70/184685570.db2.gz ROXFGGDUJPRXIQ-FGZQJIAISA-N 1 3 254.418 2.190 10 0 CEAEHO CCC[NH2+][C@@H]1[C@H](CN(C)CCN(C)C)CCC1(C)C ZINC000094318727 184779868 /nfs/dbraw/zinc/77/98/68/184779868.db2.gz DOLMMDZELSCORU-LSDHHAIUSA-N 1 3 269.477 2.284 10 0 CEAEHO Brc1cccc(CC[NH2+]C2CCNCC2)c1 ZINC000259011124 394599776 /nfs/dbraw/zinc/59/97/76/394599776.db2.gz NPOJGCYDHBZMRI-UHFFFAOYSA-N 1 3 283.213 2.333 10 0 CEAEHO Brc1cccc(CCNC2CC[NH2+]CC2)c1 ZINC000259011124 394599779 /nfs/dbraw/zinc/59/97/79/394599779.db2.gz NPOJGCYDHBZMRI-UHFFFAOYSA-N 1 3 283.213 2.333 10 0 CEAEHO CN(C[C@@H]1CCC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000261532344 394602015 /nfs/dbraw/zinc/60/20/15/394602015.db2.gz AGXLLQHNNQSFJH-MSOLQXFVSA-N 1 3 287.451 2.192 10 0 CEAEHO FC1(F)CCCC[C@H]1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000381719056 395177037 /nfs/dbraw/zinc/17/70/37/395177037.db2.gz RHXFGIHSIBUOPW-STQMWFEESA-N 1 3 258.356 2.497 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(C[C@@H]3CCC4(CCCC4)O3)C[C@@H]12 ZINC000389156003 400536138 /nfs/dbraw/zinc/53/61/38/400536138.db2.gz YAIFTVRPCIQIOW-LXTVHRRPSA-N 1 3 264.413 2.147 10 0 CEAEHO [NH3+]CC[C@@H](COc1ccc(F)cc1)N1CCCC1 ZINC000020401979 171182113 /nfs/dbraw/zinc/18/21/13/171182113.db2.gz BTKCEDDDSUEFOG-ZDUSSCGKSA-N 1 3 252.333 2.018 10 0 CEAEHO CCC[N@@H+]1CCC[C@H]([C@@H](C)NC[C@@H]2CCCO2)C1 ZINC000037210354 173033225 /nfs/dbraw/zinc/03/32/25/173033225.db2.gz PCMHQVNOOZQXSS-ILXRZTDVSA-N 1 3 254.418 2.266 10 0 CEAEHO CCC[N@H+]1CCC[C@H]([C@@H](C)NC[C@@H]2CCCO2)C1 ZINC000037210354 173033228 /nfs/dbraw/zinc/03/32/28/173033228.db2.gz PCMHQVNOOZQXSS-ILXRZTDVSA-N 1 3 254.418 2.266 10 0 CEAEHO CCCN1CCC[C@H]([C@@H](C)[NH2+]C[C@@H]2CCCO2)C1 ZINC000037210354 173033231 /nfs/dbraw/zinc/03/32/31/173033231.db2.gz PCMHQVNOOZQXSS-ILXRZTDVSA-N 1 3 254.418 2.266 10 0 CEAEHO c1ccc([C@H](CNC2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000038040630 174040871 /nfs/dbraw/zinc/04/08/71/174040871.db2.gz AJEFVVIDESRCET-KRWDZBQOSA-N 1 3 273.424 2.165 10 0 CEAEHO CCN(CC)C(=O)CCCN(CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748251 174393039 /nfs/dbraw/zinc/39/30/39/174393039.db2.gz RIPSBXDHTHJUKI-XYPWUTKMSA-N 1 3 295.471 2.240 10 0 CEAEHO Cc1nccc(C[NH2+]C2[C@@H]3CCC[C@H]2CN(C(C)C)C3)n1 ZINC000040769312 174399654 /nfs/dbraw/zinc/39/96/54/174399654.db2.gz BZHCZQHCFKWDLW-FKEKPDDDSA-N 1 3 288.439 2.384 10 0 CEAEHO c1ccc(CN2CCC[C@@H](C[NH2+]C3CCNCC3)C2)cc1 ZINC000309743090 414855965 /nfs/dbraw/zinc/85/59/65/414855965.db2.gz SPWOPCYVMWSNLU-KRWDZBQOSA-N 1 3 287.451 2.240 10 0 CEAEHO CC[C@H]([NH3+])[C@H](c1ccccn1)N(CCN(C)C)CC(C)C ZINC000043341173 175015160 /nfs/dbraw/zinc/01/51/60/175015160.db2.gz CUBRQQIRYIOYPJ-DOTOQJQBSA-N 1 3 292.471 2.380 10 0 CEAEHO Cc1ccc([C@H]([C@@H](C)[NH3+])N(C)C2CCN(C)CC2)o1 ZINC000043363793 175024313 /nfs/dbraw/zinc/02/43/13/175024313.db2.gz JPGMKMXMVKODCQ-DOMZBBRYSA-N 1 3 265.401 2.002 10 0 CEAEHO C[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCN(C)CC2)c1 ZINC000043818274 175112789 /nfs/dbraw/zinc/11/27/89/175112789.db2.gz VVGWJSIJLCLYDL-AWEZNQCLSA-N 1 3 291.439 2.113 10 0 CEAEHO CCC[C@@H]([NH2+]C)[C@@H](CC)N1CCN(C(C)C)CC1 ZINC000043896972 175119835 /nfs/dbraw/zinc/11/98/35/175119835.db2.gz VLKIPPZMEYDFIH-HUUCEWRRSA-N 1 3 255.450 2.179 10 0 CEAEHO C[NH2+][C@@H](CN1CCN(CC2CC2)CC1)c1ccccc1C ZINC000043967871 175129148 /nfs/dbraw/zinc/12/91/48/175129148.db2.gz CMDJPNDREHTSBF-SFHVURJKSA-N 1 3 287.451 2.283 10 0 CEAEHO CC[C@@H]1CSC(NC[C@H]2CC[N@@H+](C(C)C)C2)=N1 ZINC000045136106 175313579 /nfs/dbraw/zinc/31/35/79/175313579.db2.gz FSDHSVFNMKMBTR-VXGBXAGGSA-N 1 3 255.431 2.188 10 0 CEAEHO CC[C@@H]1CSC(NC[C@H]2CC[N@H+](C(C)C)C2)=N1 ZINC000045136106 175313581 /nfs/dbraw/zinc/31/35/81/175313581.db2.gz FSDHSVFNMKMBTR-VXGBXAGGSA-N 1 3 255.431 2.188 10 0 CEAEHO C[N@H+](CCCC[C@](C)(N)C(N)=O)C1CCCCCC1 ZINC000045419135 175377357 /nfs/dbraw/zinc/37/73/57/175377357.db2.gz XDEPHZBSUZERJH-HNNXBMFYSA-N 1 3 269.433 2.014 10 0 CEAEHO C[N@@H+](CCCC[C@](C)(N)C(N)=O)C1CCCCCC1 ZINC000045419135 175377358 /nfs/dbraw/zinc/37/73/58/175377358.db2.gz XDEPHZBSUZERJH-HNNXBMFYSA-N 1 3 269.433 2.014 10 0 CEAEHO CO[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000665275394 415666487 /nfs/dbraw/zinc/66/64/87/415666487.db2.gz JRZFTABWKJIGHE-NWANDNLSSA-N 1 3 254.418 2.169 10 0 CEAEHO CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCCNC1)C1CCCC1 ZINC000665275394 415666490 /nfs/dbraw/zinc/66/64/90/415666490.db2.gz JRZFTABWKJIGHE-NWANDNLSSA-N 1 3 254.418 2.169 10 0 CEAEHO CC[C@H]1CCC[C@@](CN)([N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC000071124942 176035327 /nfs/dbraw/zinc/03/53/27/176035327.db2.gz UVLLSRNCUIABGT-GOEBONIOSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@H]1CCC[C@@](CN)([N@H+]2CCN(C)C(C)(C)C2)C1 ZINC000071124942 176035329 /nfs/dbraw/zinc/03/53/29/176035329.db2.gz UVLLSRNCUIABGT-GOEBONIOSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@H]1CCC[C@@](C[NH3+])(N2CCN(C)C(C)(C)C2)C1 ZINC000071124942 176035330 /nfs/dbraw/zinc/03/53/30/176035330.db2.gz UVLLSRNCUIABGT-GOEBONIOSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@H]1CCC[C@](CN)([N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC000071124946 176035351 /nfs/dbraw/zinc/03/53/51/176035351.db2.gz UVLLSRNCUIABGT-HOCLYGCPSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@H]1CCC[C@](CN)([N@H+]2CCN(C)C(C)(C)C2)C1 ZINC000071124946 176035352 /nfs/dbraw/zinc/03/53/52/176035352.db2.gz UVLLSRNCUIABGT-HOCLYGCPSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@H]1CCC[C@](C[NH3+])(N2CCN(C)C(C)(C)C2)C1 ZINC000071124946 176035354 /nfs/dbraw/zinc/03/53/54/176035354.db2.gz UVLLSRNCUIABGT-HOCLYGCPSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@@H]1CCCC[C@@]1(C[NH3+])N1CCN(C(C)C)CC1 ZINC000071161671 176046522 /nfs/dbraw/zinc/04/65/22/176046522.db2.gz VVDXPDZVMUIMFV-CVEARBPZSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@@H]1CCCC[C@@]1(CN)[NH+]1CCN(C(C)C)CC1 ZINC000071161671 176046523 /nfs/dbraw/zinc/04/65/23/176046523.db2.gz VVDXPDZVMUIMFV-CVEARBPZSA-N 1 3 267.461 2.310 10 0 CEAEHO COCC[N@H+](C1CC1)[C@@](C)(CN)Cc1ccc(OC)cc1 ZINC000071169186 176050100 /nfs/dbraw/zinc/05/01/00/176050100.db2.gz KNZOKKWQBJECIH-QGZVFWFLSA-N 1 3 292.423 2.066 10 0 CEAEHO COCC[N@@H+](C1CC1)[C@@](C)(CN)Cc1ccc(OC)cc1 ZINC000071169186 176050101 /nfs/dbraw/zinc/05/01/01/176050101.db2.gz KNZOKKWQBJECIH-QGZVFWFLSA-N 1 3 292.423 2.066 10 0 CEAEHO CCC1CCC(CN)([N@H+](C)C[C@@H]2CCN(C)C2)CC1 ZINC000071188562 176062764 /nfs/dbraw/zinc/06/27/64/176062764.db2.gz IEYPIJMLPHYKOZ-HWOWSKLDSA-N 1 3 267.461 2.168 10 0 CEAEHO CCC1CCC(CN)([N@@H+](C)C[C@@H]2CCN(C)C2)CC1 ZINC000071188562 176062765 /nfs/dbraw/zinc/06/27/65/176062765.db2.gz IEYPIJMLPHYKOZ-HWOWSKLDSA-N 1 3 267.461 2.168 10 0 CEAEHO CN(C[C@@H]1CC[N@H+](C)C1)c1ccccc1CNC1CC1 ZINC000071190026 176065965 /nfs/dbraw/zinc/06/59/65/176065965.db2.gz FYELVKRCJKCWKS-CQSZACIVSA-N 1 3 273.424 2.327 10 0 CEAEHO CN(C[C@@H]1CC[N@@H+](C)C1)c1ccccc1CNC1CC1 ZINC000071190026 176065966 /nfs/dbraw/zinc/06/59/66/176065966.db2.gz FYELVKRCJKCWKS-CQSZACIVSA-N 1 3 273.424 2.327 10 0 CEAEHO CN(Cc1c2ccccc2oc1CN)C[C@H]1CC[N@H+](C)C1 ZINC000071191806 176072915 /nfs/dbraw/zinc/07/29/15/176072915.db2.gz SDJUPFSYEZTHNL-ZDUSSCGKSA-N 1 3 287.407 2.275 10 0 CEAEHO CN(Cc1c2ccccc2oc1CN)C[C@H]1CC[N@@H+](C)C1 ZINC000071191806 176072917 /nfs/dbraw/zinc/07/29/17/176072917.db2.gz SDJUPFSYEZTHNL-ZDUSSCGKSA-N 1 3 287.407 2.275 10 0 CEAEHO CN1CC[C@H](C[N@H+](C)Cc2c3ccccc3oc2CN)C1 ZINC000071191806 176072918 /nfs/dbraw/zinc/07/29/18/176072918.db2.gz SDJUPFSYEZTHNL-ZDUSSCGKSA-N 1 3 287.407 2.275 10 0 CEAEHO CN1CC[C@H](C[N@@H+](C)Cc2c3ccccc3oc2CN)C1 ZINC000071191806 176072920 /nfs/dbraw/zinc/07/29/20/176072920.db2.gz SDJUPFSYEZTHNL-ZDUSSCGKSA-N 1 3 287.407 2.275 10 0 CEAEHO CN(C(=O)CC[C@H]([NH3+])c1ccccc1)[C@H]1CCCN(C)C1 ZINC000071401431 176154095 /nfs/dbraw/zinc/15/40/95/176154095.db2.gz HWLNINBMSCOVKU-HOTGVXAUSA-N 1 3 289.423 2.019 10 0 CEAEHO C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1N1CCN(CC(C)C)CC1 ZINC000079625398 177529214 /nfs/dbraw/zinc/52/92/14/177529214.db2.gz SXCMAHKSPOBFBM-CVEARBPZSA-N 1 3 281.488 2.427 10 0 CEAEHO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(CN(C)C)cc1 ZINC000136356368 419442927 /nfs/dbraw/zinc/44/29/27/419442927.db2.gz WVTFXWZUXCBUAR-CQSZACIVSA-N 1 3 263.385 2.060 10 0 CEAEHO CC(C)[C@@H](CN(C)Cc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000398004121 270356332 /nfs/dbraw/zinc/35/63/32/270356332.db2.gz PMLAXQPBBDPLNT-DLBZAZTESA-N 1 3 275.440 2.095 10 0 CEAEHO C[N@@H+]1CC[C@@]2(CCN(C[C@@H]3CCCC3(F)F)C2)C1 ZINC000336268361 277160436 /nfs/dbraw/zinc/16/04/36/277160436.db2.gz AWSUADWUYANQIP-QWHCGFSZSA-N 1 3 258.356 2.449 10 0 CEAEHO C[N@H+]1CC[C@@]2(CCN(C[C@@H]3CCCC3(F)F)C2)C1 ZINC000336268361 277160437 /nfs/dbraw/zinc/16/04/37/277160437.db2.gz AWSUADWUYANQIP-QWHCGFSZSA-N 1 3 258.356 2.449 10 0 CEAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000246085278 280272700 /nfs/dbraw/zinc/27/27/00/280272700.db2.gz IHSGDPILJSBIKE-QKPAOTATSA-N 1 3 297.487 2.340 10 0 CEAEHO C[C@H]([NH2+][C@@H](CCO)C1CCCCC1)[C@@H]1CCCNC1 ZINC000568748954 313975956 /nfs/dbraw/zinc/97/59/56/313975956.db2.gz PRYZCIQFPRRLLS-IMJJTQAJSA-N 1 3 268.445 2.295 10 0 CEAEHO CC(C)CC[N@@H+](C)CCn1cc(CNCC(C)C)nn1 ZINC000052545885 519650772 /nfs/dbraw/zinc/65/07/72/519650772.db2.gz SCDQXYXLKVXHDN-UHFFFAOYSA-N 1 3 281.448 2.002 10 0 CEAEHO CC[NH2+]Cc1cnc(N(CCN(C)C)CC(C)C)s1 ZINC000054906342 520014833 /nfs/dbraw/zinc/01/48/33/520014833.db2.gz OEGSPCNXTYDZSK-UHFFFAOYSA-N 1 3 284.473 2.277 10 0 CEAEHO C[NH2+]C[C@@H]1CC[C@@H](CN(Cc2ccsc2)C2CC2)O1 ZINC000052542130 522058746 /nfs/dbraw/zinc/05/87/46/522058746.db2.gz VCCVBOJDPGYLQY-GJZGRUSLSA-N 1 3 280.437 2.480 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](C)C[NH2+]C2CCCC2)CC1 ZINC000055074948 522128402 /nfs/dbraw/zinc/12/84/02/522128402.db2.gz SWXZGTLUYTZEHK-CABCVRRESA-N 1 3 267.461 2.323 10 0 CEAEHO C(CCN1CCO[C@@H]2CCCC[C@@H]21)C[NH2+]C1CC1 ZINC000052573028 518382860 /nfs/dbraw/zinc/38/28/60/518382860.db2.gz GPKCXGAOXUPHDZ-LSDHHAIUSA-N 1 3 252.402 2.162 10 0 CEAEHO C(C[C@@H]1CCC[NH2+]1)CN1CCO[C@@H]2CCCC[C@H]21 ZINC000052764674 518395824 /nfs/dbraw/zinc/39/58/24/518395824.db2.gz MQELXXMDMGYGRL-RRFJBIMHSA-N 1 3 252.402 2.162 10 0 CEAEHO CC(C)CC[N@H+](C)CCn1cc(CNCC(C)C)nn1 ZINC000052545885 519650771 /nfs/dbraw/zinc/65/07/71/519650771.db2.gz SCDQXYXLKVXHDN-UHFFFAOYSA-N 1 3 281.448 2.002 10 0 CEAEHO CC(C)N1CCN(C[C@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000052480010 519682433 /nfs/dbraw/zinc/68/24/33/519682433.db2.gz OZCBYQFDNFEKMA-CQSZACIVSA-N 1 3 255.450 2.037 10 0 CEAEHO CC(C)CC[C@@](C)(CN)[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061642979 519687408 /nfs/dbraw/zinc/68/74/08/519687408.db2.gz YOBRICREUGSDKU-CABCVRRESA-N 1 3 255.450 2.166 10 0 CEAEHO CC(C)CC[C@@](C)(CN)[N@H+]1CCC[C@@H]1CN(C)C ZINC000061642979 519687411 /nfs/dbraw/zinc/68/74/11/519687411.db2.gz YOBRICREUGSDKU-CABCVRRESA-N 1 3 255.450 2.166 10 0 CEAEHO CC(C)[NH2+]CCC[C@@H](C)N1CCN(c2nccs2)CC1 ZINC000052417689 519720991 /nfs/dbraw/zinc/72/09/91/519720991.db2.gz KHMYGMRKINMEMD-CQSZACIVSA-N 1 3 296.484 2.432 10 0 CEAEHO CC(C)CN1CCN(CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000055081988 519725923 /nfs/dbraw/zinc/72/59/23/519725923.db2.gz VJGAVGFMTSDOSD-QGZVFWFLSA-N 1 3 275.440 2.350 10 0 CEAEHO CC(C)CN1CCN(CC[C@H]([NH3+])c2ccccc2F)CC1 ZINC000055082205 519725952 /nfs/dbraw/zinc/72/59/52/519725952.db2.gz ODDXRJLGZNTXEZ-KRWDZBQOSA-N 1 3 293.430 2.489 10 0 CEAEHO CC(C)CN1CCN(C[C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000055082039 519726412 /nfs/dbraw/zinc/72/64/12/519726412.db2.gz WQUIQYQWVNDHNP-CVEARBPZSA-N 1 3 267.461 2.168 10 0 CEAEHO CC(C)CN1CCN(C[C@@H]2C[C@H](C)CC[C@@H]2[NH3+])CC1 ZINC000055081873 519726546 /nfs/dbraw/zinc/72/65/46/519726546.db2.gz CWAUJXLFEYSMTG-PMPSAXMXSA-N 1 3 267.461 2.024 10 0 CEAEHO CC(C)CN1CCN([C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000055079108 519727396 /nfs/dbraw/zinc/72/73/96/519727396.db2.gz DPHPCODUNLNUMY-HZPDHXFCSA-N 1 3 267.461 2.310 10 0 CEAEHO CC(C)NCc1ccoc1COC1CC[NH+](C)CC1 ZINC000052596604 519727786 /nfs/dbraw/zinc/72/77/86/519727786.db2.gz BBDPEDQNMYBCJV-UHFFFAOYSA-N 1 3 266.385 2.388 10 0 CEAEHO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1CCCN(C)C1 ZINC000054602339 519907632 /nfs/dbraw/zinc/90/76/32/519907632.db2.gz OYJRELOQGHCJOO-NPYXIHBLSA-N 1 3 279.472 2.466 10 0 CEAEHO CCNCC1(C[N@@H+]2CCC[C@@H]2CCCO)CCCC1 ZINC000052763345 519913242 /nfs/dbraw/zinc/91/32/42/519913242.db2.gz NXWAFTYKVLHYQZ-OAHLLOKOSA-N 1 3 268.445 2.393 10 0 CEAEHO CCNCC1(C[N@H+]2CCC[C@@H]2CCCO)CCCC1 ZINC000052763345 519913245 /nfs/dbraw/zinc/91/32/45/519913245.db2.gz NXWAFTYKVLHYQZ-OAHLLOKOSA-N 1 3 268.445 2.393 10 0 CEAEHO CC[NH2+]CC1(CN2CCC[C@@H]2CCCO)CCCC1 ZINC000052763345 519913248 /nfs/dbraw/zinc/91/32/48/519913248.db2.gz NXWAFTYKVLHYQZ-OAHLLOKOSA-N 1 3 268.445 2.393 10 0 CEAEHO CCC[NH2+]C[C@@H](C(C)C)N1CCN(CCC)CC1 ZINC000052421694 519920267 /nfs/dbraw/zinc/92/02/67/519920267.db2.gz AWFQEMKKQBHUNQ-HNNXBMFYSA-N 1 3 255.450 2.038 10 0 CEAEHO CCNCc1ccccc1OCC[N@H+](C)C1CCOCC1 ZINC000052481190 520008755 /nfs/dbraw/zinc/00/87/55/520008755.db2.gz LDUJGLNIBIMLLZ-UHFFFAOYSA-N 1 3 292.423 2.286 10 0 CEAEHO CCNCc1ccccc1OCC[N@@H+](C)C1CCOCC1 ZINC000052481190 520008764 /nfs/dbraw/zinc/00/87/64/520008764.db2.gz LDUJGLNIBIMLLZ-UHFFFAOYSA-N 1 3 292.423 2.286 10 0 CEAEHO CCC[NH2+][C@@H](CN1CCN(C2CCCC2)CC1)C1CC1 ZINC000069074985 520008999 /nfs/dbraw/zinc/00/89/99/520008999.db2.gz CGUOHPQWSQAIMV-KRWDZBQOSA-N 1 3 279.472 2.325 10 0 CEAEHO CCC[NH2+][C@H](C)[C@H](C)N1CCN(CC(C)C)CC1 ZINC000055079417 520063561 /nfs/dbraw/zinc/06/35/61/520063561.db2.gz ZZVRKHODTNUDQC-CABCVRRESA-N 1 3 255.450 2.037 10 0 CEAEHO CC[NH2+][C@H](CC)[C@@H](C)N1CCN([C@@H](C)CC)CC1 ZINC000055065613 520183453 /nfs/dbraw/zinc/18/34/53/520183453.db2.gz JIOKGUPKFLECIP-RRFJBIMHSA-N 1 3 255.450 2.179 10 0 CEAEHO CCC[C@@](C)(C[NH2+]C)CN(C)CCN1CCCC1 ZINC000063053507 520908321 /nfs/dbraw/zinc/90/83/21/520908321.db2.gz GFXXXDMQUFBPOD-HNNXBMFYSA-N 1 3 255.450 2.040 10 0 CEAEHO CCC(CC)(C[NH2+]C)CN1CCN(CC(C)C)CC1 ZINC000055081838 521439363 /nfs/dbraw/zinc/43/93/63/521439363.db2.gz OSFPOZUHEOHESA-UHFFFAOYSA-N 1 3 269.477 2.286 10 0 CEAEHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCc1ccc(OC)cc1 ZINC000054627424 521956374 /nfs/dbraw/zinc/95/63/74/521956374.db2.gz GIPZEEFJMNHKDO-MQVJKMGUSA-N 1 3 274.408 2.453 10 0 CEAEHO C[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2ccccc2C)O1 ZINC000052547129 522092934 /nfs/dbraw/zinc/09/29/34/522092934.db2.gz MPODXWZDDKQFJA-CVEARBPZSA-N 1 3 262.397 2.194 10 0 CEAEHO C[NH2+]Cc1cc(CN2CCN(C3CCCC3)CC2)oc1C ZINC000052573492 522106984 /nfs/dbraw/zinc/10/69/84/522106984.db2.gz JWKIJISMVPWVFA-UHFFFAOYSA-N 1 3 291.439 2.368 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000055065474 522122551 /nfs/dbraw/zinc/12/25/51/522122551.db2.gz BVCRINMZTUCKAD-NVXWUHKLSA-N 1 3 275.440 2.411 10 0 CEAEHO CNCc1occc1COCC[NH+]1CCCCC1 ZINC000052670831 522164547 /nfs/dbraw/zinc/16/45/47/522164547.db2.gz FYTZZOUGGRJWHV-UHFFFAOYSA-N 1 3 252.358 2.002 10 0 CEAEHO COC[C@@H](C)[N@H+](C)CCOc1ccccc1CNC1CC1 ZINC000052511632 522217271 /nfs/dbraw/zinc/21/72/71/522217271.db2.gz GQQWBHIADJZSOZ-CQSZACIVSA-N 1 3 292.423 2.284 10 0 CEAEHO COC[C@@H](C)[N@@H+](C)CCOc1ccccc1CNC1CC1 ZINC000052511632 522217279 /nfs/dbraw/zinc/21/72/79/522217279.db2.gz GQQWBHIADJZSOZ-CQSZACIVSA-N 1 3 292.423 2.284 10 0 CEAEHO CC[C@@H](C[NH2+]C(C)C)N1CCN(C(C)(C)C)CC1 ZINC000052571588 522542736 /nfs/dbraw/zinc/54/27/36/522542736.db2.gz DKQUYKVRLOJHAP-AWEZNQCLSA-N 1 3 255.450 2.179 10 0 CEAEHO CC[C@@H]1CSC(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)=N1 ZINC000049569537 523520673 /nfs/dbraw/zinc/52/06/73/523520673.db2.gz UCJMHLOWTYQBHE-IJLUTSLNSA-N 1 3 253.415 2.084 10 0 CEAEHO CC[C@@H]1CSC(N[C@@H]2CC[N@H+]3CCCC[C@H]23)=N1 ZINC000049569537 523520682 /nfs/dbraw/zinc/52/06/82/523520682.db2.gz UCJMHLOWTYQBHE-IJLUTSLNSA-N 1 3 253.415 2.084 10 0 CEAEHO CC[C@H](C)N1CCN(Cc2cc(C[NH3+])ccc2OC)CC1 ZINC000055065028 523955770 /nfs/dbraw/zinc/95/57/70/523955770.db2.gz MDLGFNSXPKAFMT-AWEZNQCLSA-N 1 3 291.439 2.070 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C[NH3+])c2ccc(C)cc2)CC1 ZINC000055063760 523958642 /nfs/dbraw/zinc/95/86/42/523958642.db2.gz XYWINYJDFLLRBJ-RDJZCZTQSA-N 1 3 275.440 2.411 10 0 CEAEHO C[NH+](C)CC1CCN(c2nc3c(s2)[C@@H](N)CCC3)CC1 ZINC000054897118 524050389 /nfs/dbraw/zinc/05/03/89/524050389.db2.gz KFASRSQXPUQQBM-LBPRGKRZSA-N 1 3 294.468 2.257 10 0 CEAEHO C[C@@H]1C[C@@H]1c1ccc([C@@H](CN)N2CCC[C@@H]2C[NH+](C)C)o1 ZINC000061642901 525343577 /nfs/dbraw/zinc/34/35/77/525343577.db2.gz UENQWNDZJXQMDN-APIJFGDWSA-N 1 3 291.439 2.429 10 0 CEAEHO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cccnc1C(=N)N ZINC000061658288 526255955 /nfs/dbraw/zinc/25/59/55/526255955.db2.gz UAARXNHEQNNIRO-AAEUAGOBSA-N 1 3 260.385 2.376 10 0 CEAEHO C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cccnc1C(=N)N ZINC000061658288 526255959 /nfs/dbraw/zinc/25/59/59/526255959.db2.gz UAARXNHEQNNIRO-AAEUAGOBSA-N 1 3 260.385 2.376 10 0 CEAEHO c1ccc(N2CCN(CCC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000052764217 526482027 /nfs/dbraw/zinc/48/20/27/526482027.db2.gz KTPTUAGTHLGYFP-INIZCTEOSA-N 1 3 273.424 2.341 10 0 CEAEHO NC(=[NH2+])c1c(Cl)cccc1OCCN1CCCCC1 ZINC000052907595 526818963 /nfs/dbraw/zinc/81/89/63/526818963.db2.gz FYVWQQQFOJQPCW-UHFFFAOYSA-N 1 3 281.787 2.489 10 0 CEAEHO [NH3+]CC[C@H](c1ccccc1)N1CCN(CC2CC2)CC1 ZINC000055016675 527193587 /nfs/dbraw/zinc/19/35/87/527193587.db2.gz SUCSQSPQHURIKL-QGZVFWFLSA-N 1 3 273.424 2.104 10 0 CEAEHO [NH3+]Cc1ccc(F)c(CN2CCC[C@@H]2CCCO)c1 ZINC000052758468 527254983 /nfs/dbraw/zinc/25/49/83/527254983.db2.gz KRNWEWRHQFMMJD-CQSZACIVSA-N 1 3 266.360 2.021 10 0 CEAEHO CCN1CCC2(CC1)[NH2+]CC(C)(C)[C@H](C(C)C)O2 ZINC000757138144 574510147 /nfs/dbraw/zinc/51/01/47/574510147.db2.gz AZSHLCZXPKYTIU-ZDUSSCGKSA-N 1 3 254.418 2.469 10 0 CEAEHO c1cc2c(cc1CN1CCN3CCCC[C@H]3C1)C[NH2+]CC2 ZINC000250215337 344632414 /nfs/dbraw/zinc/63/24/14/344632414.db2.gz OGKUDRFZNNBNNO-SFHVURJKSA-N 1 3 285.435 2.002 10 0 CEAEHO Cc1csc(CCNC[C@H]2CCCC[C@H]2[NH3+])n1 ZINC000085376871 179044633 /nfs/dbraw/zinc/04/46/33/179044633.db2.gz CYBLPMBIYUNXIH-VXGBXAGGSA-N 1 3 253.415 2.101 10 0 CEAEHO CCC1(CC)C[N@H+](CCn2ccnc2C)[C@@H](C2CC2)CN1 ZINC000085519116 179087933 /nfs/dbraw/zinc/08/79/33/179087933.db2.gz NSLADRPGZCDBRW-MRXNPFEDSA-N 1 3 290.455 2.434 10 0 CEAEHO CCC1(CC)C[N@@H+](CCn2ccnc2C)[C@@H](C2CC2)CN1 ZINC000085519116 179087935 /nfs/dbraw/zinc/08/79/35/179087935.db2.gz NSLADRPGZCDBRW-MRXNPFEDSA-N 1 3 290.455 2.434 10 0 CEAEHO CCOCC[N@@H+]1C[C@H](Cc2ccccc2)NCC[C@@H]1C ZINC000085618733 179103995 /nfs/dbraw/zinc/10/39/95/179103995.db2.gz RVFBVJTZRNWEIK-RDJZCZTQSA-N 1 3 276.424 2.318 10 0 CEAEHO CCOCC[N@H+]1C[C@H](Cc2ccccc2)NCC[C@@H]1C ZINC000085618733 179103997 /nfs/dbraw/zinc/10/39/97/179103997.db2.gz RVFBVJTZRNWEIK-RDJZCZTQSA-N 1 3 276.424 2.318 10 0 CEAEHO CC(C)[C@@H]1CNC2(CCCC2)C[N@@H+]1CCCN(C)C ZINC000086217779 179249523 /nfs/dbraw/zinc/24/95/23/179249523.db2.gz SNYAYUGXHZPMBC-HNNXBMFYSA-N 1 3 267.461 2.181 10 0 CEAEHO CC(C)[C@@H]1CNC2(CCCC2)C[N@H+]1CCCN(C)C ZINC000086217779 179249525 /nfs/dbraw/zinc/24/95/25/179249525.db2.gz SNYAYUGXHZPMBC-HNNXBMFYSA-N 1 3 267.461 2.181 10 0 CEAEHO CCC[C@H]1C[N@H+](C[C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086259286 179258305 /nfs/dbraw/zinc/25/83/05/179258305.db2.gz ZJWHCWLBDFMSDY-IKGGRYGDSA-N 1 3 281.488 2.427 10 0 CEAEHO CCC[C@H]1C[N@@H+](C[C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086259286 179258306 /nfs/dbraw/zinc/25/83/06/179258306.db2.gz ZJWHCWLBDFMSDY-IKGGRYGDSA-N 1 3 281.488 2.427 10 0 CEAEHO CN[C@@H]1CCCc2sc(N3CCC([NH+](C)C)CC3)nc21 ZINC000086442779 179293391 /nfs/dbraw/zinc/29/33/91/179293391.db2.gz WIOOZIOLFWHTGL-GFCCVEGCSA-N 1 3 294.468 2.270 10 0 CEAEHO CC[NH+](CC)[C@H]1CCN(c2nc3c(s2)CCC[C@@H]3N)C1 ZINC000086444083 179293942 /nfs/dbraw/zinc/29/39/42/179293942.db2.gz XBXMALNLLDDBBE-RYUDHWBXSA-N 1 3 294.468 2.400 10 0 CEAEHO C[C@H]1CCC[C@@]1(C[NH3+])N1CCN(C2CCCC2)CC1 ZINC000086677104 179319211 /nfs/dbraw/zinc/31/92/11/179319211.db2.gz XCGIHNXESYOSDT-HOCLYGCPSA-N 1 3 265.445 2.064 10 0 CEAEHO CCCC[N@H+](C1CC1)[C@@]1(CN)CCCN(C)CC1 ZINC000086819415 179347870 /nfs/dbraw/zinc/34/78/70/179347870.db2.gz HKFCCGQBRHQORZ-HNNXBMFYSA-N 1 3 253.434 2.064 10 0 CEAEHO CCCC[N@@H+](C1CC1)[C@@]1(CN)CCCN(C)CC1 ZINC000086819415 179347872 /nfs/dbraw/zinc/34/78/72/179347872.db2.gz HKFCCGQBRHQORZ-HNNXBMFYSA-N 1 3 253.434 2.064 10 0 CEAEHO CCCCN1CCC([NH2+][C@@H]2CCCN(C)CC2)CC1 ZINC000086818529 179346812 /nfs/dbraw/zinc/34/68/12/179346812.db2.gz GWQPRJXJYSWGOE-OAHLLOKOSA-N 1 3 267.461 2.325 10 0 CEAEHO C[N@@H+]1CCC[C@H](N2CCc3c(N)cccc3C2)CC1 ZINC000086833497 179349791 /nfs/dbraw/zinc/34/97/91/179349791.db2.gz GOURPSFEBHINRV-AWEZNQCLSA-N 1 3 259.397 2.111 10 0 CEAEHO C[N@H+]1CCC[C@H](N2CCc3c(N)cccc3C2)CC1 ZINC000086833497 179349793 /nfs/dbraw/zinc/34/97/93/179349793.db2.gz GOURPSFEBHINRV-AWEZNQCLSA-N 1 3 259.397 2.111 10 0 CEAEHO CCN1CCC[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)CC1 ZINC000086836237 179351142 /nfs/dbraw/zinc/35/11/42/179351142.db2.gz ZXUSWXXWCYDPFS-CQSZACIVSA-N 1 3 276.380 2.379 10 0 CEAEHO CC(C)N1CCC[C@@H]([NH2+]CCCOC[C@@H]2CCCO2)CC1 ZINC000086836701 179352162 /nfs/dbraw/zinc/35/21/62/179352162.db2.gz FTJSWPOLALSNJT-SJORKVTESA-N 1 3 298.471 2.425 10 0 CEAEHO CCC[N@@H+]1CCC[C@@H](NCCC(=O)N(CC)CC)CC1 ZINC000086841084 179354046 /nfs/dbraw/zinc/35/40/46/179354046.db2.gz KKQVITIYEORPTP-OAHLLOKOSA-N 1 3 283.460 2.099 10 0 CEAEHO CCC[N@H+]1CCC[C@@H](NCCC(=O)N(CC)CC)CC1 ZINC000086841084 179354047 /nfs/dbraw/zinc/35/40/47/179354047.db2.gz KKQVITIYEORPTP-OAHLLOKOSA-N 1 3 283.460 2.099 10 0 CEAEHO CCCN1CCC[C@@H]([NH2+]CCC(=O)N(CC)CC)CC1 ZINC000086841084 179354049 /nfs/dbraw/zinc/35/40/49/179354049.db2.gz KKQVITIYEORPTP-OAHLLOKOSA-N 1 3 283.460 2.099 10 0 CEAEHO CCN1CCC[C@@](CN)([N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000086846412 179354620 /nfs/dbraw/zinc/35/46/20/179354620.db2.gz ZDPMJPLOPLDYEV-OWCLPIDISA-N 1 3 267.461 2.168 10 0 CEAEHO CCN1CCC[C@@](CN)([N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000086846412 179354621 /nfs/dbraw/zinc/35/46/21/179354621.db2.gz ZDPMJPLOPLDYEV-OWCLPIDISA-N 1 3 267.461 2.168 10 0 CEAEHO C[C@@H]1CCC[C@@](CN)([N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC000086891433 179366486 /nfs/dbraw/zinc/36/64/86/179366486.db2.gz LBSVYUQUJUJJHS-GDBMZVCRSA-N 1 3 267.461 2.310 10 0 CEAEHO C[C@@H]1CCC[C@@](CN)([N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC000086891433 179366488 /nfs/dbraw/zinc/36/64/88/179366488.db2.gz LBSVYUQUJUJJHS-GDBMZVCRSA-N 1 3 267.461 2.310 10 0 CEAEHO C[C@@H]1CCC[C@@](C[NH3+])(N2CCN(C)C(C)(C)C2)CC1 ZINC000086891433 179366490 /nfs/dbraw/zinc/36/64/90/179366490.db2.gz LBSVYUQUJUJJHS-GDBMZVCRSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@@H]1CCC[C@@](CN)([N@@H+]2CCCN(C)CC2)CC1 ZINC000086910558 179366778 /nfs/dbraw/zinc/36/67/78/179366778.db2.gz UFVSHQNKMRSUEL-HZPDHXFCSA-N 1 3 267.461 2.312 10 0 CEAEHO CC[C@@H]1CCC[C@@](CN)([N@H+]2CCCN(C)CC2)CC1 ZINC000086910558 179366781 /nfs/dbraw/zinc/36/67/81/179366781.db2.gz UFVSHQNKMRSUEL-HZPDHXFCSA-N 1 3 267.461 2.312 10 0 CEAEHO C[N@@H+]1CCCC[C@@H]1CCNCC1(O)CCCCC1 ZINC000087029183 179382434 /nfs/dbraw/zinc/38/24/34/179382434.db2.gz DHSKQJRLQSWZAG-CQSZACIVSA-N 1 3 254.418 2.146 10 0 CEAEHO C[N@H+]1CCCC[C@@H]1CCNCC1(O)CCCCC1 ZINC000087029183 179382436 /nfs/dbraw/zinc/38/24/36/179382436.db2.gz DHSKQJRLQSWZAG-CQSZACIVSA-N 1 3 254.418 2.146 10 0 CEAEHO CCCN[C@H]1COC[C@H]1C[NH+]1CCC(CC)CC1 ZINC000090566355 180005593 /nfs/dbraw/zinc/00/55/93/180005593.db2.gz YGLXTOZEATYNNC-CABCVRRESA-N 1 3 254.418 2.123 10 0 CEAEHO CCC[NH2+][C@H]1COC[C@H]1CN1CCC(CC)CC1 ZINC000090566355 180005595 /nfs/dbraw/zinc/00/55/95/180005595.db2.gz YGLXTOZEATYNNC-CABCVRRESA-N 1 3 254.418 2.123 10 0 CEAEHO CCC[NH2+][C@H]1COC[C@H]1CN1CCCc2ccccc2C1 ZINC000090566873 180006208 /nfs/dbraw/zinc/00/62/08/180006208.db2.gz JIPPIQXTLXRTNW-MSOLQXFVSA-N 1 3 288.435 2.449 10 0 CEAEHO CCCN[C@H]1COC[C@H]1C[N@@H+]1CCCc2ccccc2C1 ZINC000090566873 180006210 /nfs/dbraw/zinc/00/62/10/180006210.db2.gz JIPPIQXTLXRTNW-MSOLQXFVSA-N 1 3 288.435 2.449 10 0 CEAEHO CCCN[C@H]1COC[C@H]1C[N@H+]1CCCc2ccccc2C1 ZINC000090566873 180006213 /nfs/dbraw/zinc/00/62/13/180006213.db2.gz JIPPIQXTLXRTNW-MSOLQXFVSA-N 1 3 288.435 2.449 10 0 CEAEHO CCC[NH2+][C@@H]1COC[C@@H]1CN1CCCc2ccccc2C1 ZINC000090566870 180006438 /nfs/dbraw/zinc/00/64/38/180006438.db2.gz JIPPIQXTLXRTNW-ZWKOTPCHSA-N 1 3 288.435 2.449 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[N@@H+]1CCCc2ccccc2C1 ZINC000090566870 180006439 /nfs/dbraw/zinc/00/64/39/180006439.db2.gz JIPPIQXTLXRTNW-ZWKOTPCHSA-N 1 3 288.435 2.449 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[N@H+]1CCCc2ccccc2C1 ZINC000090566870 180006441 /nfs/dbraw/zinc/00/64/41/180006441.db2.gz JIPPIQXTLXRTNW-ZWKOTPCHSA-N 1 3 288.435 2.449 10 0 CEAEHO CC(C)[C@H]1CCCN1Cc1csc(CC[NH3+])n1 ZINC000090958817 180075651 /nfs/dbraw/zinc/07/56/51/180075651.db2.gz UZOKNVNSQCMOBM-GFCCVEGCSA-N 1 3 253.415 2.265 10 0 CEAEHO CN(C)CCn1ncc(C[NH2+]C(C)(C)C)c1C1CC1 ZINC000091338566 180136609 /nfs/dbraw/zinc/13/66/09/180136609.db2.gz ZKTJPKZKSGFURG-UHFFFAOYSA-N 1 3 264.417 2.210 10 0 CEAEHO C[NH+](C)[C@@H]1CCCN(c2nc3c(s2)CCC[C@@H]3N)C1 ZINC000091427988 180153141 /nfs/dbraw/zinc/15/31/41/180153141.db2.gz DIPVWDHGMPJIGW-MNOVXSKESA-N 1 3 280.441 2.010 10 0 CEAEHO CCC[NH2+]C[C@@](C)(CCC)CN(C)CC1CC(O)C1 ZINC000091498659 180174172 /nfs/dbraw/zinc/17/41/72/180174172.db2.gz VOPYQZOAAOZDDB-UYSNPLJNSA-N 1 3 270.461 2.495 10 0 CEAEHO CC[C@@](C)([C@@H](Cc1ccccn1)NC)[NH+]1CCCC1 ZINC000091606057 180204451 /nfs/dbraw/zinc/20/44/51/180204451.db2.gz LXNADALMEJNUMT-CVEARBPZSA-N 1 3 261.413 2.477 10 0 CEAEHO CC1CCC(C(=O)Cc2c[nH+]ccc2N)(N(C)C)CC1 ZINC000091648272 180215435 /nfs/dbraw/zinc/21/54/35/180215435.db2.gz BOPSANRKKGGDAX-UHFFFAOYSA-N 1 3 275.396 2.286 10 0 CEAEHO CC[NH+](CC)CC[C@@H](N)Cc1cccc(OC)c1 ZINC000091715717 180232774 /nfs/dbraw/zinc/23/27/74/180232774.db2.gz YQWIGWMTZXIOOH-CQSZACIVSA-N 1 3 250.386 2.297 10 0 CEAEHO CCc1cc(C[C@H](N)CC[NH+](CC)CC)n(CC)n1 ZINC000091715846 180232829 /nfs/dbraw/zinc/23/28/29/180232829.db2.gz BXENYAKKSNJUEN-CYBMUJFWSA-N 1 3 266.433 2.067 10 0 CEAEHO C[NH2+]C1CCC(N(C)CC(=O)N(C(C)C)C(C)C)CC1 ZINC000091872773 180278039 /nfs/dbraw/zinc/27/80/39/180278039.db2.gz TYZAAKYUJRZTNO-UHFFFAOYSA-N 1 3 283.460 2.094 10 0 CEAEHO CNCc1ccccc1OCC[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000092089363 180321589 /nfs/dbraw/zinc/32/15/89/180321589.db2.gz SECMBDCQJZAUDM-ZIAGYGMSSA-N 1 3 262.397 2.373 10 0 CEAEHO CCN(CC)Cc1cccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c1 ZINC000092203687 180343391 /nfs/dbraw/zinc/34/33/91/180343391.db2.gz YUWRYHRQMXUJTJ-LSDHHAIUSA-N 1 3 287.407 2.370 10 0 CEAEHO C[NH+](C)CCCNC[C@H]1CSc2ccccc21 ZINC000092274721 180356344 /nfs/dbraw/zinc/35/63/44/180356344.db2.gz KPYZOHCPEMUZSZ-LBPRGKRZSA-N 1 3 250.411 2.417 10 0 CEAEHO CCC[NH2+]C[C@@H](C)c1c(C)nn(CCN(C)C)c1C ZINC000092322968 180362419 /nfs/dbraw/zinc/36/24/19/180362419.db2.gz CEJHCMWVPJPYDH-GFCCVEGCSA-N 1 3 266.433 2.165 10 0 CEAEHO NCc1cc(OCC[NH+]2CCCC2)c2ccccc2n1 ZINC000109590649 186265160 /nfs/dbraw/zinc/26/51/60/186265160.db2.gz STKIVZBJGRDZII-UHFFFAOYSA-N 1 3 271.364 2.168 10 0 CEAEHO CCOC(=O)C1CCN([C@H]2C[C@@H](C)CC[C@@H]2C[NH3+])CC1 ZINC000109603652 186266429 /nfs/dbraw/zinc/26/64/29/186266429.db2.gz IDBJRDZZUWWQAJ-CFVMTHIKSA-N 1 3 282.428 2.025 10 0 CEAEHO CCOC(=O)C1CC[NH+]([C@H]2C[C@@H](C)CC[C@@H]2CN)CC1 ZINC000109603652 186266431 /nfs/dbraw/zinc/26/64/31/186266431.db2.gz IDBJRDZZUWWQAJ-CFVMTHIKSA-N 1 3 282.428 2.025 10 0 CEAEHO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2C[C@@H](CC)CC[C@@H]2CN)C1 ZINC000109684704 186268731 /nfs/dbraw/zinc/26/87/31/186268731.db2.gz GUBNTSZACILBGB-XUWVNRHRSA-N 1 3 296.455 2.415 10 0 CEAEHO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2C[C@@H](CC)CC[C@@H]2CN)C1 ZINC000109684704 186268733 /nfs/dbraw/zinc/26/87/33/186268733.db2.gz GUBNTSZACILBGB-XUWVNRHRSA-N 1 3 296.455 2.415 10 0 CEAEHO CCOC(=O)[C@H]1CCCN([C@@H]2C[C@@H](CC)CC[C@@H]2C[NH3+])C1 ZINC000109684704 186268734 /nfs/dbraw/zinc/26/87/34/186268734.db2.gz GUBNTSZACILBGB-XUWVNRHRSA-N 1 3 296.455 2.415 10 0 CEAEHO CN(CC(=O)Nc1ccccc1C[NH3+])CC1CCCC1 ZINC000110833798 186328788 /nfs/dbraw/zinc/32/87/88/186328788.db2.gz SHJGELYXAFQYRG-UHFFFAOYSA-N 1 3 275.396 2.206 10 0 CEAEHO CCCN1CCN([C@H](C[NH3+])c2ccc(C)c(F)c2)CC1 ZINC000110976900 186338917 /nfs/dbraw/zinc/33/89/17/186338917.db2.gz SDRXDYQEPWJUBQ-MRXNPFEDSA-N 1 3 279.403 2.162 10 0 CEAEHO C[NH2+][C@@H](CN1CCN(C)C(C)(C)C1)c1ccccc1C ZINC000110716733 186316237 /nfs/dbraw/zinc/31/62/37/186316237.db2.gz YHJSDGTWLLLOBG-INIZCTEOSA-N 1 3 275.440 2.282 10 0 CEAEHO Cc1ccc([C@@H]([NH3+])CN2CCN(C)C(C)(C)C2)c(C)c1 ZINC000110716545 186316308 /nfs/dbraw/zinc/31/63/08/186316308.db2.gz LCYQNLKMXQNNNF-INIZCTEOSA-N 1 3 275.440 2.329 10 0 CEAEHO CC[C@@H]1CN(C[C@@](C)(CC)C[NH2+]C2CC2)CCN1C ZINC000110746534 186319587 /nfs/dbraw/zinc/31/95/87/186319587.db2.gz ZBMJZYSPPATTKU-CVEARBPZSA-N 1 3 267.461 2.181 10 0 CEAEHO CCC(CC)[NH2+]C[C@@H](C)N1CCN(C)C(C)(C)C1 ZINC000110757924 186321939 /nfs/dbraw/zinc/32/19/39/186321939.db2.gz GNRZWSKIKBLLRH-CYBMUJFWSA-N 1 3 255.450 2.179 10 0 CEAEHO CCC[NH2+]Cc1ccc(OCCN(C)CCN(C)C)cc1 ZINC000111149880 186360800 /nfs/dbraw/zinc/36/08/00/186360800.db2.gz RRTXCFUYMHEWCL-UHFFFAOYSA-N 1 3 293.455 2.058 10 0 CEAEHO CC(C)C[NH2+]C[C@H](c1ccccc1)N(C)CCN(C)C ZINC000111149918 186361074 /nfs/dbraw/zinc/36/10/74/186361074.db2.gz ZEAVWCWGMBVNGA-QGZVFWFLSA-N 1 3 277.456 2.467 10 0 CEAEHO C[N@H+](CC1CCOCC1)[C@H]1CCCCC[C@@H]1CN ZINC000111157524 186362016 /nfs/dbraw/zinc/36/20/16/186362016.db2.gz RDQVWDCELNBXDC-CABCVRRESA-N 1 3 254.418 2.252 10 0 CEAEHO C[N@@H+](CC1CCOCC1)[C@H]1CCCCC[C@@H]1CN ZINC000111157524 186362017 /nfs/dbraw/zinc/36/20/17/186362017.db2.gz RDQVWDCELNBXDC-CABCVRRESA-N 1 3 254.418 2.252 10 0 CEAEHO CCC[C@@H]1CC[C@H](C[NH3+])[C@H](N(C)CCN(C)C)C1 ZINC000111131833 186356299 /nfs/dbraw/zinc/35/62/99/186356299.db2.gz JIARVRFPVZSRSW-RBSFLKMASA-N 1 3 255.450 2.024 10 0 CEAEHO CN(C)CCC[N@H+](C)C1(CN)CCCCCCC1 ZINC000111133582 186356632 /nfs/dbraw/zinc/35/66/32/186356632.db2.gz LXRNYEJQYQKMLB-UHFFFAOYSA-N 1 3 255.450 2.312 10 0 CEAEHO CN(C)CCC[N@@H+](C)C1(CN)CCCCCCC1 ZINC000111133582 186356634 /nfs/dbraw/zinc/35/66/34/186356634.db2.gz LXRNYEJQYQKMLB-UHFFFAOYSA-N 1 3 255.450 2.312 10 0 CEAEHO CCC[NH2+][C@@H](CN(C)CCN(C)C)c1ccccc1 ZINC000111134800 186357213 /nfs/dbraw/zinc/35/72/13/186357213.db2.gz HJVWJFOFCJTZHW-INIZCTEOSA-N 1 3 263.429 2.221 10 0 CEAEHO CC[C@H]([C@H](N)c1ccccc1)N(C)CCC[NH+](C)C ZINC000111136092 186357370 /nfs/dbraw/zinc/35/73/70/186357370.db2.gz BXEQNXKERCSSSV-HZPDHXFCSA-N 1 3 263.429 2.349 10 0 CEAEHO CC[NH2+][C@@H]1CCC[C@H]1CN(C)C[C@@H]1CCCOC1 ZINC000111171739 186364683 /nfs/dbraw/zinc/36/46/83/186364683.db2.gz BNQBTMKJYYITSY-SOUVJXGZSA-N 1 3 254.418 2.123 10 0 CEAEHO CC[NH2+]C[C@]1(CN2CCCC[C@@H]2C)CCCOC1 ZINC000111323697 186397520 /nfs/dbraw/zinc/39/75/20/186397520.db2.gz DSIXKCXSQODEOK-GJZGRUSLSA-N 1 3 254.418 2.267 10 0 CEAEHO CCNC[C@]1(C[N@@H+]2CCCC[C@@H]2C)CCCOC1 ZINC000111323697 186397523 /nfs/dbraw/zinc/39/75/23/186397523.db2.gz DSIXKCXSQODEOK-GJZGRUSLSA-N 1 3 254.418 2.267 10 0 CEAEHO CCNC[C@]1(C[N@H+]2CCCC[C@@H]2C)CCCOC1 ZINC000111323697 186397524 /nfs/dbraw/zinc/39/75/24/186397524.db2.gz DSIXKCXSQODEOK-GJZGRUSLSA-N 1 3 254.418 2.267 10 0 CEAEHO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(CN2CCCC2)c1 ZINC000111265519 186381456 /nfs/dbraw/zinc/38/14/56/186381456.db2.gz TULZZAQDOMDQAY-CJNGLKHVSA-N 1 3 287.407 2.076 10 0 CEAEHO CN(C)C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000093210227 539845184 /nfs/dbraw/zinc/84/51/84/539845184.db2.gz MDNJWIBKNIPSJV-XHSDSOJGSA-N 1 3 261.413 2.149 10 0 CEAEHO c1ccc2c(c1)CCN2CCC[NH2+][C@H]1CCCNCC1 ZINC000133599690 366239573 /nfs/dbraw/zinc/23/95/73/366239573.db2.gz RXLPKYNFYTUPDR-INIZCTEOSA-N 1 3 273.424 2.171 10 0 CEAEHO c1ccc2c(c1)CCN2CCCN[C@H]1CCC[NH2+]CC1 ZINC000133599690 366239579 /nfs/dbraw/zinc/23/95/79/366239579.db2.gz RXLPKYNFYTUPDR-INIZCTEOSA-N 1 3 273.424 2.171 10 0 CEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]CC(C)(C)O ZINC000634576582 368726293 /nfs/dbraw/zinc/72/62/93/368726293.db2.gz VIDMNOYCLXHQAW-GDBMZVCRSA-N 1 3 276.424 2.115 10 0 CEAEHO C[C@@H]1C[N@H+](C[C@H]2CCOc3ccccc32)C[C@@H]1CN ZINC000634999254 369033657 /nfs/dbraw/zinc/03/36/57/369033657.db2.gz RQPYQCZKHKDVIZ-MCIONIFRSA-N 1 3 260.381 2.079 10 0 CEAEHO C[C@@H]1C[N@@H+](C[C@H]2CCOc3ccccc32)C[C@@H]1CN ZINC000634999254 369033659 /nfs/dbraw/zinc/03/36/59/369033659.db2.gz RQPYQCZKHKDVIZ-MCIONIFRSA-N 1 3 260.381 2.079 10 0 CEAEHO C[C@@H]1CN(C[C@H]2CCOc3ccccc32)C[C@@H]1C[NH3+] ZINC000634999254 369033664 /nfs/dbraw/zinc/03/36/64/369033664.db2.gz RQPYQCZKHKDVIZ-MCIONIFRSA-N 1 3 260.381 2.079 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCOc3cccc(Cl)c3)C[C@@H]12 ZINC000261658566 371693945 /nfs/dbraw/zinc/69/39/45/371693945.db2.gz YWERCUJDMZJNLB-KCPJHIHWSA-N 1 3 280.799 2.388 10 0 CEAEHO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2C[C@H]2CCCNC2)C1 ZINC000261947701 371782433 /nfs/dbraw/zinc/78/24/33/371782433.db2.gz NMNJBSYIEAIIOX-XAJHFOFHSA-N 1 3 280.456 2.248 10 0 CEAEHO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2C[C@H]2CCCNC2)C1 ZINC000261947701 371782447 /nfs/dbraw/zinc/78/24/47/371782447.db2.gz NMNJBSYIEAIIOX-XAJHFOFHSA-N 1 3 280.456 2.248 10 0 CEAEHO C[C@@H]1CN(Cc2ccccc2)CCN1c1cc[nH+]c(N)c1 ZINC000306763131 376555022 /nfs/dbraw/zinc/55/50/22/376555022.db2.gz FUWBRPDLKASJFG-CQSZACIVSA-N 1 3 282.391 2.375 10 0 CEAEHO CCC[NH2+][C@H]1[C@H](CN(C)CCN(C)C)C(C)(C)OC1(C)C ZINC000094429780 184797239 /nfs/dbraw/zinc/79/72/39/184797239.db2.gz KSLWYMXFAQRTBQ-GJZGRUSLSA-N 1 3 299.503 2.052 10 0 CEAEHO CC(C)(C[NH3+])CCN1CCN(c2ccc(F)cc2)CC1 ZINC000087590395 135050696 /nfs/dbraw/zinc/05/06/96/135050696.db2.gz ZQUVHXUEDMGCDY-UHFFFAOYSA-N 1 3 279.403 2.323 10 0 CEAEHO CC(C)(C)N1CCN(c2cccc(F)c2C(N)=[NH2+])CC1 ZINC000093408798 135080885 /nfs/dbraw/zinc/08/08/85/135080885.db2.gz ALQXUHWZGWJBOT-UHFFFAOYSA-N 1 3 278.375 2.030 10 0 CEAEHO CC(C)[NH2+]Cc1ccnc(N2CCN3CCCC[C@@H]3C2)c1 ZINC000094443165 135088708 /nfs/dbraw/zinc/08/87/08/135088708.db2.gz QQADURHITFJGPY-MRXNPFEDSA-N 1 3 288.439 2.254 10 0 CEAEHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H](O)C(C)(C)C ZINC000324462839 394549811 /nfs/dbraw/zinc/54/98/11/394549811.db2.gz YMPKQIHXBFLIEQ-MGPQQGTHSA-N 1 3 256.434 2.294 10 0 CEAEHO Cc1cc(C)cc(OCCN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000381143304 395172288 /nfs/dbraw/zinc/17/22/88/395172288.db2.gz KAPLKHCSBTUSRI-XIRDDKMYSA-N 1 3 274.408 2.351 10 0 CEAEHO FC1(F)CCCC[C@H]1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000381719054 395176623 /nfs/dbraw/zinc/17/66/23/395176623.db2.gz RHXFGIHSIBUOPW-QWHCGFSZSA-N 1 3 258.356 2.497 10 0 CEAEHO CCC(CC)[C@H](CNC(=O)C1(N)CCCC1)[NH+]1CCCC1 ZINC000178684017 165252675 /nfs/dbraw/zinc/25/26/75/165252675.db2.gz OQVJFWFAABGGRW-HNNXBMFYSA-N 1 3 295.471 2.275 10 0 CEAEHO [NH3+]Cc1ccc(CN2CCCC[C@@H]2CCO)c(F)c1 ZINC000019267232 170765202 /nfs/dbraw/zinc/76/52/02/170765202.db2.gz LGGZQCQFQDJSAX-CQSZACIVSA-N 1 3 266.360 2.021 10 0 CEAEHO Cc1ccc([C@@H](C[NH3+])N2CCN(CC(C)C)CC2)cc1 ZINC000020179486 171043978 /nfs/dbraw/zinc/04/39/78/171043978.db2.gz CJFBICMIRMUSJK-QGZVFWFLSA-N 1 3 275.440 2.268 10 0 CEAEHO Cc1ccc(OC[C@@H](CC[NH3+])N2CCCC2)cc1C ZINC000020402087 171182077 /nfs/dbraw/zinc/18/20/77/171182077.db2.gz JVJCPNZCXYOXBQ-OAHLLOKOSA-N 1 3 262.397 2.495 10 0 CEAEHO CC1CC[NH+](CCC(=O)Nc2ccccc2CN)CC1 ZINC000022154873 171362159 /nfs/dbraw/zinc/36/21/59/171362159.db2.gz OULYDOJKIYHGSG-UHFFFAOYSA-N 1 3 275.396 2.206 10 0 CEAEHO C[C@@H](Cc1c(F)cccc1F)NC1CC[NH2+]CC1 ZINC000038041517 174042322 /nfs/dbraw/zinc/04/23/22/174042322.db2.gz JNYCCFYCUVYLSL-JTQLQIEISA-N 1 3 254.324 2.237 10 0 CEAEHO C[C@@H](Cc1c(F)cccc1F)[NH2+]C1CCNCC1 ZINC000038041517 174042324 /nfs/dbraw/zinc/04/23/24/174042324.db2.gz JNYCCFYCUVYLSL-JTQLQIEISA-N 1 3 254.324 2.237 10 0 CEAEHO CCN(CC)CC[NH2+]C[C@@]1(N(C)C)CCC[C@H](C)C1 ZINC000040669618 174368171 /nfs/dbraw/zinc/36/81/71/174368171.db2.gz HKVCVCJPAFVAAY-JKSUJKDBSA-N 1 3 269.477 2.428 10 0 CEAEHO CCOC1CC[NH+]([C@H]2CCCCC[C@@H]2CN)CC1 ZINC000040678497 174374588 /nfs/dbraw/zinc/37/45/88/174374588.db2.gz JMXXDVZRDXMIGS-HIFRSBDPSA-N 1 3 254.418 2.395 10 0 CEAEHO CCCN(CCN1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748641 174393832 /nfs/dbraw/zinc/39/38/32/174393832.db2.gz UNOCOXCWLSYNOV-SJPCQFCGSA-N 1 3 279.472 2.467 10 0 CEAEHO C[C@@H]([NH3+])[C@H](c1cccc(F)c1)N(C)C1CCN(C)CC1 ZINC000042970891 174934400 /nfs/dbraw/zinc/93/44/00/174934400.db2.gz ZOBCHXFAARQEBC-MLGOLLRUSA-N 1 3 279.403 2.240 10 0 CEAEHO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCCN(C)CC1 ZINC000043363932 175025106 /nfs/dbraw/zinc/02/51/06/175025106.db2.gz FKODOIFEQZKTHS-ZFWWWQNUSA-N 1 3 265.401 2.004 10 0 CEAEHO Cc1ccc([C@H]([C@H](C)[NH3+])N(CCN(C)C)CC(C)C)o1 ZINC000043365381 175026936 /nfs/dbraw/zinc/02/69/36/175026936.db2.gz VWVGTHFOXQAVSX-HOCLYGCPSA-N 1 3 281.444 2.496 10 0 CEAEHO CC[NH2+][C@H]1CCCCC[C@@H]1N(C)C1CCN(C)CC1 ZINC000043815317 175112646 /nfs/dbraw/zinc/11/26/46/175112646.db2.gz RSVGLVYQCDZKDY-HOTGVXAUSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[NH2+][C@H]1CCCCCC[C@@H]1N1CCCN(C)CC1 ZINC000043818345 175113130 /nfs/dbraw/zinc/11/31/30/175113130.db2.gz HZUPZQCOKAWVJQ-HOTGVXAUSA-N 1 3 267.461 2.325 10 0 CEAEHO C[NH2+][C@@H]1c2ccccc2CC[C@H]1N1CCN(C(C)C)CC1 ZINC000043897009 175120063 /nfs/dbraw/zinc/12/00/63/175120063.db2.gz FIHKGXYIQWPHAI-QZTJIDSGSA-N 1 3 287.451 2.288 10 0 CEAEHO CN[C@H]1CCCCCC[C@H]1[N@H+](C)C1CCOCC1 ZINC000043898148 175121300 /nfs/dbraw/zinc/12/13/00/175121300.db2.gz ZBZIASGUDIVLPC-LSDHHAIUSA-N 1 3 254.418 2.408 10 0 CEAEHO CN[C@H]1CCCCCC[C@H]1[N@@H+](C)C1CCOCC1 ZINC000043898148 175121302 /nfs/dbraw/zinc/12/13/02/175121302.db2.gz ZBZIASGUDIVLPC-LSDHHAIUSA-N 1 3 254.418 2.408 10 0 CEAEHO CC[NH2+][C@H]1CCCCC[C@H]1N1CCN(CC2CC2)CC1 ZINC000043967931 175128985 /nfs/dbraw/zinc/12/89/85/175128985.db2.gz VLFWGSKJUYIYDX-DLBZAZTESA-N 1 3 279.472 2.325 10 0 CEAEHO C[NH2+][C@@H](C)c1ccc(NC(=O)NC[C@H](C)N(C)C)cc1 ZINC000045113969 175311215 /nfs/dbraw/zinc/31/12/15/175311215.db2.gz ZCNZUEPZAZFVEP-RYUDHWBXSA-N 1 3 278.400 2.039 10 0 CEAEHO CCN1CC[C@H](C[NH2+][C@@H](C)c2c(C)nn(C)c2C)C1 ZINC000045171406 175321350 /nfs/dbraw/zinc/32/13/50/175321350.db2.gz ORKBGXVJKPDODB-SMDDNHRTSA-N 1 3 264.417 2.029 10 0 CEAEHO CC[N@H+](CCC[C@](C)(NC1CC1)C(N)=O)C1CCCC1 ZINC000045390675 175374688 /nfs/dbraw/zinc/37/46/88/175374688.db2.gz QGXHSPDXNSNMRS-INIZCTEOSA-N 1 3 281.444 2.027 10 0 CEAEHO CC[N@@H+](CCC[C@](C)(NC1CC1)C(N)=O)C1CCCC1 ZINC000045390675 175374689 /nfs/dbraw/zinc/37/46/89/175374689.db2.gz QGXHSPDXNSNMRS-INIZCTEOSA-N 1 3 281.444 2.027 10 0 CEAEHO CC[C@@H]1CN(C[C@@H](C)C[NH2+]C(C)(C)C)CCN1C ZINC000070942715 176016027 /nfs/dbraw/zinc/01/60/27/176016027.db2.gz SKUSJUOJWUTEIH-UONOGXRCSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[C@@H]1CCCC[C@@]1(CN)[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000071162212 176046771 /nfs/dbraw/zinc/04/67/71/176046771.db2.gz HTRRETKXEXMOSI-IKGGRYGDSA-N 1 3 279.472 2.454 10 0 CEAEHO CC[C@@H]1CCCC[C@@]1(CN)[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000071162212 176046773 /nfs/dbraw/zinc/04/67/73/176046773.db2.gz HTRRETKXEXMOSI-IKGGRYGDSA-N 1 3 279.472 2.454 10 0 CEAEHO COCC[N@H+](C1CC1)[C@](C)(CN)Cc1ccc(OC)cc1 ZINC000071169187 176049913 /nfs/dbraw/zinc/04/99/13/176049913.db2.gz KNZOKKWQBJECIH-KRWDZBQOSA-N 1 3 292.423 2.066 10 0 CEAEHO COCC[N@@H+](C1CC1)[C@](C)(CN)Cc1ccc(OC)cc1 ZINC000071169187 176049914 /nfs/dbraw/zinc/04/99/14/176049914.db2.gz KNZOKKWQBJECIH-KRWDZBQOSA-N 1 3 292.423 2.066 10 0 CEAEHO CC[C@H]1CC[C@@H](CN)[C@H]([N@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071188215 176062954 /nfs/dbraw/zinc/06/29/54/176062954.db2.gz RXQVDDFLLNQEQT-XUWVNRHRSA-N 1 3 267.461 2.024 10 0 CEAEHO CC[C@H]1CC[C@@H](CN)[C@H]([N@@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071188215 176062955 /nfs/dbraw/zinc/06/29/55/176062955.db2.gz RXQVDDFLLNQEQT-XUWVNRHRSA-N 1 3 267.461 2.024 10 0 CEAEHO CC[C@@H]([C@@H](N)c1ccccc1)[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188686 176063894 /nfs/dbraw/zinc/06/38/94/176063894.db2.gz QMWPGRRIVZPOFM-PVAVHDDUSA-N 1 3 275.440 2.349 10 0 CEAEHO CC[C@@H]([C@@H](N)c1ccccc1)[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188686 176063895 /nfs/dbraw/zinc/06/38/95/176063895.db2.gz QMWPGRRIVZPOFM-PVAVHDDUSA-N 1 3 275.440 2.349 10 0 CEAEHO CC(C)CN1CCN(Cc2ccc(F)cc2C[NH3+])CC1 ZINC000071263634 176096755 /nfs/dbraw/zinc/09/67/55/176096755.db2.gz DRSFDRYRFRECOE-UHFFFAOYSA-N 1 3 279.403 2.058 10 0 CEAEHO CC[NH2+]C[C@@H]1CCCN(CCCCCC(=O)OCC)C1 ZINC000071297942 176112792 /nfs/dbraw/zinc/11/27/92/176112792.db2.gz KEZKLJGPFNVZPH-HNNXBMFYSA-N 1 3 284.444 2.431 10 0 CEAEHO Cc1nccn1CC[N@@H+]1CC(C)(C)NC[C@H]1C(C)(C)C ZINC000071342879 176130585 /nfs/dbraw/zinc/13/05/85/176130585.db2.gz QDRFFMGCURGJTJ-AWEZNQCLSA-N 1 3 278.444 2.290 10 0 CEAEHO Cc1nccn1CC[N@H+]1CC(C)(C)NC[C@H]1C(C)(C)C ZINC000071342879 176130587 /nfs/dbraw/zinc/13/05/87/176130587.db2.gz QDRFFMGCURGJTJ-AWEZNQCLSA-N 1 3 278.444 2.290 10 0 CEAEHO CN(Cc1ccccc1)[C@@H](CNC1CC[NH2+]CC1)C1CC1 ZINC000423066132 270825610 /nfs/dbraw/zinc/82/56/10/270825610.db2.gz WBQBSRHRYPUIFB-SFHVURJKSA-N 1 3 287.451 2.239 10 0 CEAEHO CCC[C@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)N(C)C ZINC000245663751 276038179 /nfs/dbraw/zinc/03/81/79/276038179.db2.gz IGPHWIWWAMIUNK-HUUCEWRRSA-N 1 3 283.460 2.097 10 0 CEAEHO CCC[C@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)N(C)C ZINC000245663751 276038180 /nfs/dbraw/zinc/03/81/80/276038180.db2.gz IGPHWIWWAMIUNK-HUUCEWRRSA-N 1 3 283.460 2.097 10 0 CEAEHO C[C@@H]1C[C@@H]([NH2+]CCOCCN(C)C)CC(C)(C)C1 ZINC000226744913 277984578 /nfs/dbraw/zinc/98/45/78/277984578.db2.gz VAWCJRWVFROVEY-ZIAGYGMSSA-N 1 3 256.434 2.369 10 0 CEAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000114176041 279129380 /nfs/dbraw/zinc/12/93/80/279129380.db2.gz JZBVMNGJIQEELE-HZPDHXFCSA-N 1 3 297.487 2.343 10 0 CEAEHO CCC[C@@H](C(=O)NCCCCC[NH+]1CCCCC1)N(C)C ZINC000155037649 289163075 /nfs/dbraw/zinc/16/30/75/289163075.db2.gz UXCXVTCXTSCZBF-INIZCTEOSA-N 1 3 297.487 2.489 10 0 CEAEHO CC(C)[NH2+]CC1(CN2CC[C@H](C)C2)CCOCC1 ZINC000052182190 519720175 /nfs/dbraw/zinc/72/01/75/519720175.db2.gz MQSWHLPLVXLQDK-AWEZNQCLSA-N 1 3 254.418 2.123 10 0 CEAEHO CCCN1CCN(C[C@@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000052421806 519858581 /nfs/dbraw/zinc/85/85/81/519858581.db2.gz QLFFFUKWMBWZEW-AWEZNQCLSA-N 1 3 255.450 2.038 10 0 CEAEHO CC[NH2+]Cc1sc(N2CCC[C@@H]2CN(C)C)nc1C ZINC000061655587 520032343 /nfs/dbraw/zinc/03/23/43/520032343.db2.gz XIZDCIYQMOYHEW-GFCCVEGCSA-N 1 3 282.457 2.091 10 0 CEAEHO CN(C)C[C@H]1CCC[N@@H+]1C1(CN)CCCCCC1 ZINC000061643055 521866347 /nfs/dbraw/zinc/86/63/47/521866347.db2.gz KJSYVUOKVJPQJU-CQSZACIVSA-N 1 3 253.434 2.064 10 0 CEAEHO CN(C)C[C@H]1CCC[N@H+]1C1(CN)CCCCCC1 ZINC000061643055 521866357 /nfs/dbraw/zinc/86/63/57/521866357.db2.gz KJSYVUOKVJPQJU-CQSZACIVSA-N 1 3 253.434 2.064 10 0 CEAEHO CC(C)(C)[NH2+]C[C@@H]1CCCN(C2CCOCC2)C1 ZINC000069311262 518761443 /nfs/dbraw/zinc/76/14/43/518761443.db2.gz NZKQQMDFCZFRDS-ZDUSSCGKSA-N 1 3 254.418 2.266 10 0 CEAEHO CC(C)[NH+]1CCN(Cc2c3ccccc3oc2CN)CC1 ZINC000052480041 519682071 /nfs/dbraw/zinc/68/20/71/519682071.db2.gz VBBGWHHJRJALDD-UHFFFAOYSA-N 1 3 287.407 2.418 10 0 CEAEHO CC(C)[NH2+]CC[C@@H](C)N1CCN(C2CCCC2)CC1 ZINC000052573558 519722128 /nfs/dbraw/zinc/72/21/28/519722128.db2.gz CXMBOMLMGLPNJI-OAHLLOKOSA-N 1 3 267.461 2.323 10 0 CEAEHO CC(C)[NH2+]C[C@@H](C)CN1CCN(C2CCCC2)CC1 ZINC000052573479 519722627 /nfs/dbraw/zinc/72/26/27/519722627.db2.gz SYKCLFBXTYLEEO-OAHLLOKOSA-N 1 3 267.461 2.181 10 0 CEAEHO CC(C)C[NH2+]C[C@H](C)N1CCN(C(C)(C)C)CC1 ZINC000052571581 519745673 /nfs/dbraw/zinc/74/56/73/519745673.db2.gz ZNJCHPFNSCLVGT-AWEZNQCLSA-N 1 3 255.450 2.037 10 0 CEAEHO CCCC1CC[NH+](CCC[C@@](C)(NC2CC2)C(N)=O)CC1 ZINC000050905799 519900886 /nfs/dbraw/zinc/90/08/86/519900886.db2.gz BRFOHWBRNACVQO-QGZVFWFLSA-N 1 3 295.471 2.275 10 0 CEAEHO CCNCC1(C[N@H+](C)[C@@H](C)C2CC2)CCOCC1 ZINC000052181776 519912066 /nfs/dbraw/zinc/91/20/66/519912066.db2.gz FCENVERWUVGZKQ-ZDUSSCGKSA-N 1 3 254.418 2.123 10 0 CEAEHO CCNCC1(C[N@@H+](C)[C@@H](C)C2CC2)CCOCC1 ZINC000052181776 519912068 /nfs/dbraw/zinc/91/20/68/519912068.db2.gz FCENVERWUVGZKQ-ZDUSSCGKSA-N 1 3 254.418 2.123 10 0 CEAEHO CC[NH2+]CC1(CN(C)[C@@H](C)C2CC2)CCOCC1 ZINC000052181776 519912071 /nfs/dbraw/zinc/91/20/71/519912071.db2.gz FCENVERWUVGZKQ-ZDUSSCGKSA-N 1 3 254.418 2.123 10 0 CEAEHO CC[NH2+]CCC(=O)Nc1ccccc1CN1CCCC1 ZINC000061293014 519918434 /nfs/dbraw/zinc/91/84/34/519918434.db2.gz BJCVXCJHLAKCHT-UHFFFAOYSA-N 1 3 275.396 2.221 10 0 CEAEHO CC[NH2+]CCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000052418168 519919123 /nfs/dbraw/zinc/91/91/23/519919123.db2.gz VSLFCGHCUJZYNY-UHFFFAOYSA-N 1 3 279.403 2.337 10 0 CEAEHO CC[NH2+]Cc1ccccc1CN1CCSCC1 ZINC000052443308 520008916 /nfs/dbraw/zinc/00/89/16/520008916.db2.gz BSKYAWMVFCSNEO-UHFFFAOYSA-N 1 3 250.411 2.345 10 0 CEAEHO CC[NH2+]Cc1cccc(CN(CCCOC)CCOC)c1 ZINC000052543227 520003678 /nfs/dbraw/zinc/00/36/78/520003678.db2.gz XJZRHYWCACCDFI-UHFFFAOYSA-N 1 3 294.439 2.281 10 0 CEAEHO CC[NH2+]Cc1ccoc1CN(C)CCc1ccncc1 ZINC000052483073 520011479 /nfs/dbraw/zinc/01/14/79/520011479.db2.gz BETBWGDFMKASDY-UHFFFAOYSA-N 1 3 273.380 2.459 10 0 CEAEHO CCNCc1ccoc1COCC[NH+](CC)CC ZINC000052671725 520013650 /nfs/dbraw/zinc/01/36/50/520013650.db2.gz CBUXHUHIPKTNAM-UHFFFAOYSA-N 1 3 254.374 2.248 10 0 CEAEHO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CN1CCN(CC)CC1 ZINC000053860778 520122278 /nfs/dbraw/zinc/12/22/78/520122278.db2.gz XCMHBEFXZXVISK-BZUAXINKSA-N 1 3 267.461 2.038 10 0 CEAEHO CCC[C@@H]([NH3+])[C@@H](CC)N1CCN(CC(C)C)CC1 ZINC000055078928 520727607 /nfs/dbraw/zinc/72/76/07/520727607.db2.gz OVQQOYJURGUSDO-HUUCEWRRSA-N 1 3 255.450 2.166 10 0 CEAEHO CCN(CC1CC1)C[C@]1(C[NH2+]CC(C)C)CCOC1 ZINC000069262723 520956846 /nfs/dbraw/zinc/95/68/46/520956846.db2.gz QHGNGFUEPMVRIZ-MRXNPFEDSA-N 1 3 268.445 2.371 10 0 CEAEHO CCCC[C@](CC)(C[NH3+])N1CCN(CC2CC2)CC1 ZINC000069380195 521255071 /nfs/dbraw/zinc/25/50/71/521255071.db2.gz JQHKYZZFUNKZHW-MRXNPFEDSA-N 1 3 267.461 2.312 10 0 CEAEHO CCC(CC)[N@H+](CCO)CC1(CNC2CC2)CCOCC1 ZINC000052183531 521553360 /nfs/dbraw/zinc/55/33/60/521553360.db2.gz RAQYWMLECZJGOX-UHFFFAOYSA-N 1 3 298.471 2.018 10 0 CEAEHO CCC(CC)[N@@H+](CCO)CC1(CNC2CC2)CCOCC1 ZINC000052183531 521553369 /nfs/dbraw/zinc/55/33/69/521553369.db2.gz RAQYWMLECZJGOX-UHFFFAOYSA-N 1 3 298.471 2.018 10 0 CEAEHO CCN1CCC(N(C)c2nc3c(s2)[C@H]([NH3+])CCC3)CC1 ZINC000054897683 521567315 /nfs/dbraw/zinc/56/73/15/521567315.db2.gz FPVFXUAWDGBLDD-GFCCVEGCSA-N 1 3 294.468 2.400 10 0 CEAEHO C[NH2+]C(C)(C)C(=O)Nc1ccccc1CN1CCCC1 ZINC000061316487 521946227 /nfs/dbraw/zinc/94/62/27/521946227.db2.gz BJLMMXSVWSYPBP-UHFFFAOYSA-N 1 3 275.396 2.219 10 0 CEAEHO C[NH2+]CCCCCN1CCN(c2ccccc2OC)CC1 ZINC000052422934 521992139 /nfs/dbraw/zinc/99/21/39/521992139.db2.gz ZMRMUYCKPIIIOY-UHFFFAOYSA-N 1 3 291.439 2.207 10 0 CEAEHO CC[C@@H](C)N1CCN(CCCC[NH2+]CC(C)C)CC1 ZINC000055073655 522118708 /nfs/dbraw/zinc/11/87/08/522118708.db2.gz LKJBBJRLJHYQGL-MRXNPFEDSA-N 1 3 269.477 2.428 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069267069 522128265 /nfs/dbraw/zinc/12/82/65/522128265.db2.gz NSTGGXBEHTYUFT-RHSMWYFYSA-N 1 3 273.424 2.247 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C[NH2+]C(C)C)C(C)C)CC1 ZINC000055074464 522130704 /nfs/dbraw/zinc/13/07/04/522130704.db2.gz PFTGWDYJVYCBEO-HZPDHXFCSA-N 1 3 269.477 2.425 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C[NH2+]C)c2ccccc2)CC1 ZINC000055074155 522131822 /nfs/dbraw/zinc/13/18/22/522131822.db2.gz KALXNKRSWVGFHM-NVXWUHKLSA-N 1 3 275.440 2.363 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C)C[NH2+]CC(C)C)CC1 ZINC000055074125 522132382 /nfs/dbraw/zinc/13/23/82/522132382.db2.gz BFKQCUJEGPXBNM-HUUCEWRRSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[C@H](C[NH2+]C(C)(C)C)N1CCN(C(C)C)CC1 ZINC000052479996 522189459 /nfs/dbraw/zinc/18/94/59/522189459.db2.gz TWSXSEXKMUPJGD-CQSZACIVSA-N 1 3 255.450 2.179 10 0 CEAEHO CN(CCN1CCC[NH2+]CC1)Cc1cccc(Cl)c1 ZINC000061275202 522831797 /nfs/dbraw/zinc/83/17/97/522831797.db2.gz IUTRHDINDHGKTJ-UHFFFAOYSA-N 1 3 281.831 2.067 10 0 CEAEHO COCC1CCN(Cc2cc(C[NH3+])ccc2F)CC1 ZINC000070080300 522934576 /nfs/dbraw/zinc/93/45/76/522934576.db2.gz YSTHIKRLNNKCPI-UHFFFAOYSA-N 1 3 266.360 2.143 10 0 CEAEHO COCCN(C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1)C1CC1 ZINC000052542526 523731181 /nfs/dbraw/zinc/73/11/81/523731181.db2.gz YAQPWOUETJKEAO-GJZGRUSLSA-N 1 3 284.444 2.033 10 0 CEAEHO CC[C@H](C)N1CCN(CC(CC)(CC)C[NH2+]C)CC1 ZINC000055072186 523953125 /nfs/dbraw/zinc/95/31/25/523953125.db2.gz JCQLUWSZZFFEST-HNNXBMFYSA-N 1 3 269.477 2.428 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000055083400 523955219 /nfs/dbraw/zinc/95/52/19/523955219.db2.gz KEYZGGFOZBUBII-MAUKXSAKSA-N 1 3 287.451 2.117 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000055063924 523958572 /nfs/dbraw/zinc/95/85/72/523958572.db2.gz AAMOBEWGGMIZCM-YOEHRIQHSA-N 1 3 291.439 2.111 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](CC)C[NH2+]C(C)C)CC1 ZINC000055074611 523958617 /nfs/dbraw/zinc/95/86/17/523958617.db2.gz DJOZEROGHLKLMY-GJZGRUSLSA-N 1 3 255.450 2.179 10 0 CEAEHO C[N@H+]1[C@@H]2CC[C@H]1CC(CNCc1cncs1)C2 ZINC000054788253 524031403 /nfs/dbraw/zinc/03/14/03/524031403.db2.gz YITMGDJQAZQBQS-YOGCLGLASA-N 1 3 251.399 2.106 10 0 CEAEHO C[N@@H+]1[C@@H]2CC[C@H]1CC(CNCc1cncs1)C2 ZINC000054788253 524031404 /nfs/dbraw/zinc/03/14/04/524031404.db2.gz YITMGDJQAZQBQS-YOGCLGLASA-N 1 3 251.399 2.106 10 0 CEAEHO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cccnc1C(=N)N ZINC000061658287 524130841 /nfs/dbraw/zinc/13/08/41/524130841.db2.gz UAARXNHEQNNIRO-YPMHNXCESA-N 1 3 260.385 2.376 10 0 CEAEHO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cccnc1C(=N)N ZINC000061658287 524130844 /nfs/dbraw/zinc/13/08/44/524130844.db2.gz UAARXNHEQNNIRO-YPMHNXCESA-N 1 3 260.385 2.376 10 0 CEAEHO C[C@@H]1CC[C@@H](C)[C@@](C[NH3+])(N2CCN(CC3CC3)CC2)C1 ZINC000068628147 524580032 /nfs/dbraw/zinc/58/00/32/524580032.db2.gz MCUMMFPHRBZJQP-BFYDXBDKSA-N 1 3 279.472 2.168 10 0 CEAEHO C[C@@H](CN1CCCC1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000049150064 524592170 /nfs/dbraw/zinc/59/21/70/524592170.db2.gz KPYIWOLYELCNQS-HNNXBMFYSA-N 1 3 288.439 2.124 10 0 CEAEHO Cc1cc([C@@H](C[NH3+])N2CCN(CC3CC3)CC2)c(C)s1 ZINC000049687472 525481430 /nfs/dbraw/zinc/48/14/30/525481430.db2.gz GLUYTXAKYNIZIZ-MRXNPFEDSA-N 1 3 293.480 2.392 10 0 CEAEHO c1ccc(C[C@@H]2C[N@H+](C[C@@H]3CCCO3)CCCN2)cc1 ZINC000062668029 526477337 /nfs/dbraw/zinc/47/73/37/526477337.db2.gz RQGHYZWCHOMHNH-SJORKVTESA-N 1 3 274.408 2.072 10 0 CEAEHO c1ccc(C[C@@H]2C[N@@H+](C[C@@H]3CCCO3)CCCN2)cc1 ZINC000062668029 526477338 /nfs/dbraw/zinc/47/73/38/526477338.db2.gz RQGHYZWCHOMHNH-SJORKVTESA-N 1 3 274.408 2.072 10 0 CEAEHO [NH3+]Cc1ccc(CN2CCC[C@H]2CCCO)c(F)c1 ZINC000052758462 527253742 /nfs/dbraw/zinc/25/37/42/527253742.db2.gz VSONPLQREYPMNK-AWEZNQCLSA-N 1 3 266.360 2.021 10 0 CEAEHO CCNCc1cc(F)ccc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000091391860 535478648 /nfs/dbraw/zinc/47/86/48/535478648.db2.gz FAWDLNPZYICOAS-OAHLLOKOSA-N 1 3 279.403 2.466 10 0 CEAEHO CC[C@H](C)[C@@H](N)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000236896920 628741019 /nfs/dbraw/zinc/74/10/19/628741019.db2.gz BVKLIALFLPULFP-XHDPSFHLSA-N 1 3 277.412 2.369 10 0 CEAEHO [NH3+][C@@H]1CC[C@H]2CN(CCOc3ccc(Cl)cc3)C[C@@H]12 ZINC000261606188 628946380 /nfs/dbraw/zinc/94/63/80/628946380.db2.gz RMCHZKLPJIECOG-NILFDRSVSA-N 1 3 280.799 2.388 10 0 CEAEHO Cc1n[nH]c(C)c1CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261622815 628950812 /nfs/dbraw/zinc/95/08/12/628950812.db2.gz DOKPLXXJBPXSLA-WBVHZDCISA-N 1 3 284.407 2.201 10 0 CEAEHO C[NH2+]Cc1sc(CCN(C)C)nc1C(C)(C)C ZINC000082440815 178019075 /nfs/dbraw/zinc/01/90/75/178019075.db2.gz RDUZCKUVONXLLW-UHFFFAOYSA-N 1 3 255.431 2.264 10 0 CEAEHO CO[C@H]1CCC[C@@H](N2CC[NH2+]C3(CCCC3)C2)C1 ZINC000085435350 179061713 /nfs/dbraw/zinc/06/17/13/179061713.db2.gz BVIDTPBDVVRLBR-KGLIPLIRSA-N 1 3 252.402 2.162 10 0 CEAEHO CC[C@@]1(C)CN[C@@H](C2CC2)C[N@@H+]1CCn1ccnc1C ZINC000085528386 179090345 /nfs/dbraw/zinc/09/03/45/179090345.db2.gz LLNIPHUWXVEOOW-CVEARBPZSA-N 1 3 276.428 2.044 10 0 CEAEHO CC[C@@]1(C)CN[C@@H](C2CC2)C[N@H+]1CCn1ccnc1C ZINC000085528386 179090347 /nfs/dbraw/zinc/09/03/47/179090347.db2.gz LLNIPHUWXVEOOW-CVEARBPZSA-N 1 3 276.428 2.044 10 0 CEAEHO CCC1(CC)C[N@H+](C[C@@H]2CCCCO2)CCCN1 ZINC000085617485 179103608 /nfs/dbraw/zinc/10/36/08/179103608.db2.gz AJVKPLMLLZRZLX-AWEZNQCLSA-N 1 3 254.418 2.410 10 0 CEAEHO CCC1(CC)C[N@@H+](C[C@@H]2CCCCO2)CCCN1 ZINC000085617485 179103611 /nfs/dbraw/zinc/10/36/11/179103611.db2.gz AJVKPLMLLZRZLX-AWEZNQCLSA-N 1 3 254.418 2.410 10 0 CEAEHO C[C@H]1CC[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CCCO1 ZINC000085623669 179105553 /nfs/dbraw/zinc/10/55/53/179105553.db2.gz YCYSHJBBKDOSIJ-QEJZJMRPSA-N 1 3 252.402 2.018 10 0 CEAEHO C[C@H]1CCN[C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085623669 179105554 /nfs/dbraw/zinc/10/55/54/179105554.db2.gz YCYSHJBBKDOSIJ-QEJZJMRPSA-N 1 3 252.402 2.018 10 0 CEAEHO C[C@H]1CCN[C@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085623669 179105556 /nfs/dbraw/zinc/10/55/56/179105556.db2.gz YCYSHJBBKDOSIJ-QEJZJMRPSA-N 1 3 252.402 2.018 10 0 CEAEHO CC[C@@H]1C[N@H+](C[C@@H]2CCN(CC)C2)[C@H](C(C)C)CN1 ZINC000086223044 179251203 /nfs/dbraw/zinc/25/12/03/179251203.db2.gz KWYBSMGXXBRCRR-OAGGEKHMSA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@@H]1C[N@@H+](C[C@@H]2CCN(CC)C2)[C@H](C(C)C)CN1 ZINC000086223044 179251205 /nfs/dbraw/zinc/25/12/05/179251205.db2.gz KWYBSMGXXBRCRR-OAGGEKHMSA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1[C@@H]1CCCN(CC)C1 ZINC000086225379 179253527 /nfs/dbraw/zinc/25/35/27/179253527.db2.gz RAQJKXGKLWTJRC-GVDBMIGSSA-N 1 3 279.472 2.323 10 0 CEAEHO CC[C@H]1CN[C@@](C)(C2CC2)C[N@H+]1[C@@H]1CCCN(CC)C1 ZINC000086225379 179253530 /nfs/dbraw/zinc/25/35/30/179253530.db2.gz RAQJKXGKLWTJRC-GVDBMIGSSA-N 1 3 279.472 2.323 10 0 CEAEHO CC(C)[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259208 179258318 /nfs/dbraw/zinc/25/83/18/179258318.db2.gz ZFLSCRZRLAVYLQ-NXHRZFHOSA-N 1 3 293.499 2.427 10 0 CEAEHO CC(C)[C@H]1CN[C@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259208 179258320 /nfs/dbraw/zinc/25/83/20/179258320.db2.gz ZFLSCRZRLAVYLQ-NXHRZFHOSA-N 1 3 293.499 2.427 10 0 CEAEHO C[C@]1(C2CC2)C[N@H+](CCc2cccnc2)CCCN1 ZINC000086288736 179264150 /nfs/dbraw/zinc/26/41/50/179264150.db2.gz OZTLHVHKWKCLBR-MRXNPFEDSA-N 1 3 259.397 2.088 10 0 CEAEHO C[C@]1(C2CC2)C[N@@H+](CCc2cccnc2)CCCN1 ZINC000086288736 179264152 /nfs/dbraw/zinc/26/41/52/179264152.db2.gz OZTLHVHKWKCLBR-MRXNPFEDSA-N 1 3 259.397 2.088 10 0 CEAEHO C[C@@]1(C2CC2)C[N@H+](CCc2cccnc2)CCCN1 ZINC000086288737 179264325 /nfs/dbraw/zinc/26/43/25/179264325.db2.gz OZTLHVHKWKCLBR-INIZCTEOSA-N 1 3 259.397 2.088 10 0 CEAEHO C[C@@]1(C2CC2)C[N@@H+](CCc2cccnc2)CCCN1 ZINC000086288737 179264327 /nfs/dbraw/zinc/26/43/27/179264327.db2.gz OZTLHVHKWKCLBR-INIZCTEOSA-N 1 3 259.397 2.088 10 0 CEAEHO CC(C)(C)[C@@H]1C[N@H+](CCc2ccncc2)CCCN1 ZINC000086288766 179264708 /nfs/dbraw/zinc/26/47/08/179264708.db2.gz VJZNWRQLKGOBMB-HNNXBMFYSA-N 1 3 261.413 2.334 10 0 CEAEHO CC(C)(C)[C@@H]1C[N@@H+](CCc2ccncc2)CCCN1 ZINC000086288766 179264710 /nfs/dbraw/zinc/26/47/10/179264710.db2.gz VJZNWRQLKGOBMB-HNNXBMFYSA-N 1 3 261.413 2.334 10 0 CEAEHO CC(C)[C@H]1CNC(C)(C)C[N@@H+]1CC1CCN(C)CC1 ZINC000086259030 179256466 /nfs/dbraw/zinc/25/64/66/179256466.db2.gz WNIJJWNAYOJPMA-OAHLLOKOSA-N 1 3 267.461 2.037 10 0 CEAEHO CC(C)[C@H]1CNC(C)(C)C[N@H+]1CC1CCN(C)CC1 ZINC000086259030 179256469 /nfs/dbraw/zinc/25/64/69/179256469.db2.gz WNIJJWNAYOJPMA-OAHLLOKOSA-N 1 3 267.461 2.037 10 0 CEAEHO C[NH+](C)C1CCN(c2nc3c(s2)CCC[C@H]3N)CC1 ZINC000086442778 179293900 /nfs/dbraw/zinc/29/39/00/179293900.db2.gz GPJQTOWXEXEUBO-LLVKDONJSA-N 1 3 280.441 2.010 10 0 CEAEHO COc1ccc(C[NH2+][C@H]2CCCN(C)CC2)cc1OC ZINC000086817243 179345297 /nfs/dbraw/zinc/34/52/97/179345297.db2.gz HESVDIAGIHSLHR-AWEZNQCLSA-N 1 3 278.396 2.278 10 0 CEAEHO CCN1CCC[C@](CN)([N@H+](C)CC(C)(C)C)CC1 ZINC000086848258 179356230 /nfs/dbraw/zinc/35/62/30/179356230.db2.gz BJYFLOCROUVZDN-HNNXBMFYSA-N 1 3 255.450 2.168 10 0 CEAEHO CCN1CCC[C@](CN)([N@@H+](C)CC(C)(C)C)CC1 ZINC000086848258 179356233 /nfs/dbraw/zinc/35/62/33/179356233.db2.gz BJYFLOCROUVZDN-HNNXBMFYSA-N 1 3 255.450 2.168 10 0 CEAEHO CCN1CCC[C@@](CN)([N@H+](C)[C@@H](C)C(C)C)CC1 ZINC000086847146 179356859 /nfs/dbraw/zinc/35/68/59/179356859.db2.gz IDKSAFOTGFYQRI-LSDHHAIUSA-N 1 3 255.450 2.166 10 0 CEAEHO CCN1CCC[C@@](CN)([N@@H+](C)[C@@H](C)C(C)C)CC1 ZINC000086847146 179356860 /nfs/dbraw/zinc/35/68/60/179356860.db2.gz IDKSAFOTGFYQRI-LSDHHAIUSA-N 1 3 255.450 2.166 10 0 CEAEHO CCN1CCC[C@@](CN)([N@H+](CC)C2CCCC2)CC1 ZINC000086847019 179357000 /nfs/dbraw/zinc/35/70/00/179357000.db2.gz FOMZQTVUBKSBFL-MRXNPFEDSA-N 1 3 267.461 2.454 10 0 CEAEHO CCN1CCC[C@@](CN)([N@@H+](CC)C2CCCC2)CC1 ZINC000086847019 179357002 /nfs/dbraw/zinc/35/70/02/179357002.db2.gz FOMZQTVUBKSBFL-MRXNPFEDSA-N 1 3 267.461 2.454 10 0 CEAEHO CCCN1CCC[C@H]([NH2+]CCc2cccnc2)CC1 ZINC000086840925 179352489 /nfs/dbraw/zinc/35/24/89/179352489.db2.gz NUDNULNALDYOEY-INIZCTEOSA-N 1 3 261.413 2.478 10 0 CEAEHO CCC[N@@H+]1CCC[C@H](NCCc2cccnc2)CC1 ZINC000086840925 179352490 /nfs/dbraw/zinc/35/24/90/179352490.db2.gz NUDNULNALDYOEY-INIZCTEOSA-N 1 3 261.413 2.478 10 0 CEAEHO CCC[N@H+]1CCC[C@H](NCCc2cccnc2)CC1 ZINC000086840925 179352492 /nfs/dbraw/zinc/35/24/92/179352492.db2.gz NUDNULNALDYOEY-INIZCTEOSA-N 1 3 261.413 2.478 10 0 CEAEHO CCC[N@@H+]1CCC[C@H](NCCC(=O)N[C@@H](C)CC)CC1 ZINC000086841994 179353905 /nfs/dbraw/zinc/35/39/05/179353905.db2.gz LPKNVCQPTPFKME-GJZGRUSLSA-N 1 3 283.460 2.145 10 0 CEAEHO CCC[N@H+]1CCC[C@H](NCCC(=O)N[C@@H](C)CC)CC1 ZINC000086841994 179353908 /nfs/dbraw/zinc/35/39/08/179353908.db2.gz LPKNVCQPTPFKME-GJZGRUSLSA-N 1 3 283.460 2.145 10 0 CEAEHO CCCN1CCC[C@H]([NH2+]CCC(=O)N[C@@H](C)CC)CC1 ZINC000086841994 179353910 /nfs/dbraw/zinc/35/39/10/179353910.db2.gz LPKNVCQPTPFKME-GJZGRUSLSA-N 1 3 283.460 2.145 10 0 CEAEHO CCN1CCC[C@H]([NH2+]CCc2nc(C)cs2)CC1 ZINC000086844761 179354401 /nfs/dbraw/zinc/35/44/01/179354401.db2.gz WSVWOTOZQVPJKD-ZDUSSCGKSA-N 1 3 267.442 2.458 10 0 CEAEHO CC[N@@H+]1CCC[C@H](NCCc2nc(C)cs2)CC1 ZINC000086844761 179354403 /nfs/dbraw/zinc/35/44/03/179354403.db2.gz WSVWOTOZQVPJKD-ZDUSSCGKSA-N 1 3 267.442 2.458 10 0 CEAEHO CC[N@H+]1CCC[C@H](NCCc2nc(C)cs2)CC1 ZINC000086844761 179354404 /nfs/dbraw/zinc/35/44/04/179354404.db2.gz WSVWOTOZQVPJKD-ZDUSSCGKSA-N 1 3 267.442 2.458 10 0 CEAEHO CN(C)Cc1ccccc1C[NH2+][C@@H]1CCCOCC1 ZINC000086869865 179363716 /nfs/dbraw/zinc/36/37/16/179363716.db2.gz PXCBDKNIWUOAOG-MRXNPFEDSA-N 1 3 262.397 2.407 10 0 CEAEHO CC[N@@H+]1CCC[C@@](NC2CCCCCC2)(C(N)=O)CC1 ZINC000086849657 179358414 /nfs/dbraw/zinc/35/84/14/179358414.db2.gz ZIGBMEURGPHNBJ-INIZCTEOSA-N 1 3 281.444 2.029 10 0 CEAEHO CC[N@H+]1CCC[C@@](NC2CCCCCC2)(C(N)=O)CC1 ZINC000086849657 179358415 /nfs/dbraw/zinc/35/84/15/179358415.db2.gz ZIGBMEURGPHNBJ-INIZCTEOSA-N 1 3 281.444 2.029 10 0 CEAEHO C[C@H]1CCC[C@@](CN)([N@H+](C)CCCN(C)C)CC1 ZINC000086891452 179365929 /nfs/dbraw/zinc/36/59/29/179365929.db2.gz WKLFHSKKJRSIFZ-LSDHHAIUSA-N 1 3 255.450 2.168 10 0 CEAEHO C[C@H]1CCC[C@@](CN)([N@@H+](C)CCCN(C)C)CC1 ZINC000086891452 179365932 /nfs/dbraw/zinc/36/59/32/179365932.db2.gz WKLFHSKKJRSIFZ-LSDHHAIUSA-N 1 3 255.450 2.168 10 0 CEAEHO C[C@@H]1CCC[C@@](CN)([N@H+](C)[C@@H]2CCCN(C)C2)CC1 ZINC000086891294 179366240 /nfs/dbraw/zinc/36/62/40/179366240.db2.gz CROVVDPPUYFATI-BZUAXINKSA-N 1 3 267.461 2.310 10 0 CEAEHO C[C@@H]1CCC[C@@](CN)([N@@H+](C)[C@@H]2CCCN(C)C2)CC1 ZINC000086891294 179366241 /nfs/dbraw/zinc/36/62/41/179366241.db2.gz CROVVDPPUYFATI-BZUAXINKSA-N 1 3 267.461 2.310 10 0 CEAEHO CN1CCC[N@@H+]([C@@]2(CN)CCCC(C)(C)CC2)CC1 ZINC000086910571 179367123 /nfs/dbraw/zinc/36/71/23/179367123.db2.gz JHCYLNBEMMHWBJ-INIZCTEOSA-N 1 3 267.461 2.312 10 0 CEAEHO CN1CCC[N@H+]([C@@]2(CN)CCCC(C)(C)CC2)CC1 ZINC000086910571 179367125 /nfs/dbraw/zinc/36/71/25/179367125.db2.gz JHCYLNBEMMHWBJ-INIZCTEOSA-N 1 3 267.461 2.312 10 0 CEAEHO CCC[C@H]1CCC[C@@](CO)(N2CCC[NH2+]CC2)CC1 ZINC000086952101 179368748 /nfs/dbraw/zinc/36/87/48/179368748.db2.gz PROHLWCQSMQSRC-JKSUJKDBSA-N 1 3 268.445 2.393 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000087621135 179456264 /nfs/dbraw/zinc/45/62/64/179456264.db2.gz ISTQVZSLLVAFND-WBVHZDCISA-N 1 3 287.451 2.290 10 0 CEAEHO CC[NH+](CC)CCN[C@@H](CN)c1cc2ccccc2o1 ZINC000087912795 179520865 /nfs/dbraw/zinc/52/08/65/179520865.db2.gz QCHLFGOYVWWGAX-AWEZNQCLSA-N 1 3 275.396 2.364 10 0 CEAEHO CCOC(=O)c1ccccc1[C@@H]1CCC[N@H+](CCN)CC1 ZINC000616600567 348531460 /nfs/dbraw/zinc/53/14/60/348531460.db2.gz GFCOQLBBHSHKFZ-CQSZACIVSA-N 1 3 290.407 2.392 10 0 CEAEHO CCOC(=O)c1ccccc1[C@@H]1CCC[N@@H+](CCN)CC1 ZINC000616600567 348531463 /nfs/dbraw/zinc/53/14/63/348531463.db2.gz GFCOQLBBHSHKFZ-CQSZACIVSA-N 1 3 290.407 2.392 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[N@@H+]1CCCC[C@@H]1CC ZINC000090566098 180005298 /nfs/dbraw/zinc/00/52/98/180005298.db2.gz DGCPYEGTTODRSW-QLFBSQMISA-N 1 3 254.418 2.266 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[N@H+]1CCCC[C@@H]1CC ZINC000090566098 180005299 /nfs/dbraw/zinc/00/52/99/180005299.db2.gz DGCPYEGTTODRSW-QLFBSQMISA-N 1 3 254.418 2.266 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[NH+]1CCC(CC)CC1 ZINC000090566352 180005464 /nfs/dbraw/zinc/00/54/64/180005464.db2.gz YGLXTOZEATYNNC-LSDHHAIUSA-N 1 3 254.418 2.123 10 0 CEAEHO CCC[NH2+][C@@H]1COC[C@@H]1CN1CCC(CC)CC1 ZINC000090566352 180005467 /nfs/dbraw/zinc/00/54/67/180005467.db2.gz YGLXTOZEATYNNC-LSDHHAIUSA-N 1 3 254.418 2.123 10 0 CEAEHO [NH3+]C[C@H](CNCCc1cscn1)c1ccccc1 ZINC000104443797 186003972 /nfs/dbraw/zinc/00/39/72/186003972.db2.gz NNRLJJGQCPATDC-CYBMUJFWSA-N 1 3 261.394 2.018 10 0 CEAEHO CCC[C@]1(CNCCc2cscn2)CCC[NH2+]C1 ZINC000104446328 186004790 /nfs/dbraw/zinc/00/47/90/186004790.db2.gz SGJCOVVIMCMQAG-AWEZNQCLSA-N 1 3 267.442 2.445 10 0 CEAEHO CCC[C@]1(C[NH2+]CCc2cscn2)CCCNC1 ZINC000104446328 186004791 /nfs/dbraw/zinc/00/47/91/186004791.db2.gz SGJCOVVIMCMQAG-AWEZNQCLSA-N 1 3 267.442 2.445 10 0 CEAEHO C[NH2+]CCC1CCN(C[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090894310 180056137 /nfs/dbraw/zinc/05/61/37/180056137.db2.gz ATEYGABWDGAWQE-MRXNPFEDSA-N 1 3 292.398 2.451 10 0 CEAEHO CC(C)N1CCO[C@H](Cn2cc(C[NH3+])c3ccccc32)C1 ZINC000090994991 180082798 /nfs/dbraw/zinc/08/27/98/180082798.db2.gz GECZJQQSYGLDQJ-HNNXBMFYSA-N 1 3 287.407 2.209 10 0 CEAEHO CCCc1c(C[NH2+]C(C)(C)C)cnn1CCN(C)C ZINC000091338538 180136356 /nfs/dbraw/zinc/13/63/56/180136356.db2.gz IMFXZAXMMSHBRX-UHFFFAOYSA-N 1 3 266.433 2.285 10 0 CEAEHO CCN1CCN(C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@@H]1C ZINC000091362845 180142526 /nfs/dbraw/zinc/14/25/26/180142526.db2.gz YYNDDWLNQNMWEG-QAETUUGQSA-N 1 3 279.472 2.323 10 0 CEAEHO CC(C)[NH2+]CC[C@@](C)(O)[C@H]1NCCc2ccccc21 ZINC000091467971 180164170 /nfs/dbraw/zinc/16/41/70/180164170.db2.gz FQIGHIILSXUQNU-JKSUJKDBSA-N 1 3 262.397 2.013 10 0 CEAEHO CCn1nc(CN(C)CC2CC([NH3+])C2)c2ccccc21 ZINC000091471643 180165782 /nfs/dbraw/zinc/16/57/82/180165782.db2.gz WOKYMMJMXDFYLQ-UHFFFAOYSA-N 1 3 272.396 2.225 10 0 CEAEHO CCC[C@@](C)(C[NH2+]CC)CN(C)CC1CC(O)C1 ZINC000091490135 180168799 /nfs/dbraw/zinc/16/87/99/180168799.db2.gz BIKBLOVXWLVHRE-NRXISQOPSA-N 1 3 256.434 2.105 10 0 CEAEHO CCC[C@@](C)(CNCC)C[N@H+](C)CC1CC(O)C1 ZINC000091490135 180168800 /nfs/dbraw/zinc/16/88/00/180168800.db2.gz BIKBLOVXWLVHRE-NRXISQOPSA-N 1 3 256.434 2.105 10 0 CEAEHO CCC[C@@](C)(CNCC)C[N@@H+](C)CC1CC(O)C1 ZINC000091490135 180168803 /nfs/dbraw/zinc/16/88/03/180168803.db2.gz BIKBLOVXWLVHRE-NRXISQOPSA-N 1 3 256.434 2.105 10 0 CEAEHO Cc1ccccc1[C@H]([NH3+])CCN(C)CC1CC(O)C1 ZINC000091490363 180170065 /nfs/dbraw/zinc/17/00/65/180170065.db2.gz VINXPRJTXZIVJQ-ZBCRRDGASA-N 1 3 262.397 2.088 10 0 CEAEHO CC[NH+](CC)[C@](C)(CC)[C@H](Cc1ccnc(N)c1)NC ZINC000091599129 180202034 /nfs/dbraw/zinc/20/20/34/180202034.db2.gz ATAHKMMZECLDBV-GOEBONIOSA-N 1 3 278.444 2.305 10 0 CEAEHO CC[C@@](C)([C@@H]([NH3+])CC1CCOCC1)N1CCCC1 ZINC000091604761 180204671 /nfs/dbraw/zinc/20/46/71/180204671.db2.gz VDBWPLGMQUXVLM-GJZGRUSLSA-N 1 3 254.418 2.395 10 0 CEAEHO CC(C)(C)[NH2+]CC[C@@](C)(O)[C@H]1NCc2ccccc21 ZINC000091523054 180177951 /nfs/dbraw/zinc/17/79/51/180177951.db2.gz UHPRTQNJHIEBEO-GOEBONIOSA-N 1 3 262.397 2.360 10 0 CEAEHO C[C@@H]1CN2CCCC[C@@H]2CN1CC[NH2+]C1CCCCC1 ZINC000091527977 180179979 /nfs/dbraw/zinc/17/99/79/180179979.db2.gz OSMXUNOFLGENOM-NVXWUHKLSA-N 1 3 279.472 2.467 10 0 CEAEHO CC[NH2+][C@H](Cc1cnccc1N)C1(N(C)C)CCCC1 ZINC000091637960 180211983 /nfs/dbraw/zinc/21/19/83/180211983.db2.gz PKNLSHSFDQDXSF-OAHLLOKOSA-N 1 3 276.428 2.059 10 0 CEAEHO CCn1nc(C)cc1C[C@@H]([NH3+])C1(N2CCCC2)CCCC1 ZINC000091640675 180212935 /nfs/dbraw/zinc/21/29/35/180212935.db2.gz YWOFSMPAFXZTDR-MRXNPFEDSA-N 1 3 290.455 2.490 10 0 CEAEHO CC[NH+](CC)CC[C@H](Cc1nn(C)c2ccccc12)NC ZINC000091716053 180231982 /nfs/dbraw/zinc/23/19/82/180231982.db2.gz AGPMETQBHONQIJ-CQSZACIVSA-N 1 3 288.439 2.436 10 0 CEAEHO CCN(CC)CC[C@H](Cc1nn(C)c2ccccc12)[NH2+]C ZINC000091716053 180231983 /nfs/dbraw/zinc/23/19/83/180231983.db2.gz AGPMETQBHONQIJ-CQSZACIVSA-N 1 3 288.439 2.436 10 0 CEAEHO N[C@H](Cc1cccc(Cl)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720798 180236707 /nfs/dbraw/zinc/23/67/07/180236707.db2.gz ORPPNBCYXMVOLW-KFWWJZLASA-N 1 3 280.799 2.073 10 0 CEAEHO N[C@H](Cc1cccc(Cl)c1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720798 180236710 /nfs/dbraw/zinc/23/67/10/180236710.db2.gz ORPPNBCYXMVOLW-KFWWJZLASA-N 1 3 280.799 2.073 10 0 CEAEHO CCN(Cc1cc(C)nn1CC)C1CCC([NH3+])CC1 ZINC000091850790 180272391 /nfs/dbraw/zinc/27/23/91/180272391.db2.gz OYCKUASCALIOFU-UHFFFAOYSA-N 1 3 264.417 2.303 10 0 CEAEHO CC[NH2+]C1CCC(N(C)[C@H](C)C(=O)N[C@@H](C)CC)CC1 ZINC000091870455 180276814 /nfs/dbraw/zinc/27/68/14/180276814.db2.gz CMSBQVZKSIZBAK-ZUJMUWTESA-N 1 3 283.460 2.142 10 0 CEAEHO C[NH2+]C1CCC(N(C)CC(=O)Nc2cccc(C)c2)CC1 ZINC000091870620 180277028 /nfs/dbraw/zinc/27/70/28/180277028.db2.gz WJPNTAIPMKZDPE-UHFFFAOYSA-N 1 3 289.423 2.396 10 0 CEAEHO C[NH2+]C1CCC(N(C)[C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000091870562 180277216 /nfs/dbraw/zinc/27/72/16/180277216.db2.gz GMXULRMLHLCJPK-FHERZECASA-N 1 3 295.471 2.240 10 0 CEAEHO CC[NH2+]C1CCC(N(C)Cc2cc(C)nn2C)CC1 ZINC000091870439 180277338 /nfs/dbraw/zinc/27/73/38/180277338.db2.gz WKXHOVAYVCXIBQ-UHFFFAOYSA-N 1 3 264.417 2.081 10 0 CEAEHO CC[NH2+]Cc1sc(N2CC[C@H]3CC[C@@H](C2)N3C)nc1C ZINC000092004873 180305968 /nfs/dbraw/zinc/30/59/68/180305968.db2.gz WZOXBIAFWNVFMA-OLZOCXBDSA-N 1 3 294.468 2.234 10 0 CEAEHO C[C@H]1C[NH+](CCC(=O)Nc2cccc(CN)c2)C[C@@H]1C ZINC000092082098 180319352 /nfs/dbraw/zinc/31/93/52/180319352.db2.gz VSZIKZGBJOKAFQ-STQMWFEESA-N 1 3 275.396 2.062 10 0 CEAEHO CCCN1CCC[C@](CN)([N@@H+]2C[C@H](C)[C@H](C)C2)CC1 ZINC000092083017 180320598 /nfs/dbraw/zinc/32/05/98/180320598.db2.gz YGSPZZPTKZDWFV-XHSDSOJGSA-N 1 3 267.461 2.168 10 0 CEAEHO CCCN1CCC[C@](CN)([N@H+]2C[C@H](C)[C@H](C)C2)CC1 ZINC000092083017 180320601 /nfs/dbraw/zinc/32/06/01/180320601.db2.gz YGSPZZPTKZDWFV-XHSDSOJGSA-N 1 3 267.461 2.168 10 0 CEAEHO NC(=[NH2+])[C@H]1CCCN(Cc2ccnc3ccccc23)C1 ZINC000092348161 180367582 /nfs/dbraw/zinc/36/75/82/180367582.db2.gz UXQOLETYLQPZJU-ZDUSSCGKSA-N 1 3 268.364 2.383 10 0 CEAEHO CC[NH2+][C@H](C)[C@H](C)c1nc(CCN(CC)CC)no1 ZINC000109496296 186256609 /nfs/dbraw/zinc/25/66/09/186256609.db2.gz VEMBHGHCXWWDBP-NWDGAFQWSA-N 1 3 268.405 2.055 10 0 CEAEHO CCOC(=O)C1CCN([C@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000109603638 186266478 /nfs/dbraw/zinc/26/64/78/186266478.db2.gz SJPGBTGEOKZXQE-CABCVRRESA-N 1 3 282.428 2.169 10 0 CEAEHO CCOC(=O)C1CC[NH+]([C@H]2CCCCC[C@@H]2CN)CC1 ZINC000109603638 186266480 /nfs/dbraw/zinc/26/64/80/186266480.db2.gz SJPGBTGEOKZXQE-CABCVRRESA-N 1 3 282.428 2.169 10 0 CEAEHO COC(=O)C[C@H]1CCCCN1Cc1ccc(C[NH3+])cc1 ZINC000109604096 186268087 /nfs/dbraw/zinc/26/80/87/186268087.db2.gz JVQUBNBVCQJSQZ-OAHLLOKOSA-N 1 3 276.380 2.063 10 0 CEAEHO COC(=O)C[C@H]1CCCC[N@@H+]1[C@@H]1CCCCC[C@@H]1CN ZINC000109684943 186269120 /nfs/dbraw/zinc/26/91/20/186269120.db2.gz ZANOPPNHRJQQHK-RBSFLKMASA-N 1 3 282.428 2.312 10 0 CEAEHO COC(=O)C[C@H]1CCCC[N@H+]1[C@@H]1CCCCC[C@@H]1CN ZINC000109684943 186269121 /nfs/dbraw/zinc/26/91/21/186269121.db2.gz ZANOPPNHRJQQHK-RBSFLKMASA-N 1 3 282.428 2.312 10 0 CEAEHO CC(C)N[C@@](C)(CCC[N@@H+]1CCC[C@@H](C)CC1)C(N)=O ZINC000110809304 186326639 /nfs/dbraw/zinc/32/66/39/186326639.db2.gz NUTNLTKJJSQVEQ-ZBFHGGJFSA-N 1 3 283.460 2.131 10 0 CEAEHO CC(C)N[C@@](C)(CCC[N@H+]1CCC[C@@H](C)CC1)C(N)=O ZINC000110809304 186326641 /nfs/dbraw/zinc/32/66/41/186326641.db2.gz NUTNLTKJJSQVEQ-ZBFHGGJFSA-N 1 3 283.460 2.131 10 0 CEAEHO CCNC[C@]1(C[N@H+](C)CC2CCCC2)CCOC1 ZINC000110842071 186328299 /nfs/dbraw/zinc/32/82/99/186328299.db2.gz JKAYJEWFUOJDIT-HNNXBMFYSA-N 1 3 254.418 2.125 10 0 CEAEHO CCNC[C@]1(C[N@@H+](C)CC2CCCC2)CCOC1 ZINC000110842071 186328300 /nfs/dbraw/zinc/32/83/00/186328300.db2.gz JKAYJEWFUOJDIT-HNNXBMFYSA-N 1 3 254.418 2.125 10 0 CEAEHO CC[NH2+]C[C@]1(CN(C)CC2CCCC2)CCOC1 ZINC000110842071 186328302 /nfs/dbraw/zinc/32/83/02/186328302.db2.gz JKAYJEWFUOJDIT-HNNXBMFYSA-N 1 3 254.418 2.125 10 0 CEAEHO CC[C@@H]1CN([C@@H](c2ccc(F)cc2)[C@@H](C)[NH3+])CCN1C ZINC000110704125 186314839 /nfs/dbraw/zinc/31/48/39/186314839.db2.gz KQYZOJCCDHCZBH-DAXOMENPSA-N 1 3 279.403 2.240 10 0 CEAEHO CC[C@H]1CN([C@@H](CC(N)=[NH2+])c2ccccc2)CCN1C ZINC000110722308 186317242 /nfs/dbraw/zinc/31/72/42/186317242.db2.gz VDBLWUKSICUDKZ-GJZGRUSLSA-N 1 3 274.412 2.080 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C[NH3+])c2cccc(F)c2F)CC1 ZINC000111039975 186347047 /nfs/dbraw/zinc/34/70/47/186347047.db2.gz OMMXUDOOJDPPSY-SWLSCSKDSA-N 1 3 297.393 2.381 10 0 CEAEHO Cc1cc([C@H](CN)N(C)CCC[NH+](C)C)c(C)s1 ZINC000111133322 186356805 /nfs/dbraw/zinc/35/68/05/186356805.db2.gz BUBCMYHYZQHVDR-AWEZNQCLSA-N 1 3 269.458 2.248 10 0 CEAEHO CN[C@@H](CN(C)CC[NH+](C)C)c1cc2ccccc2o1 ZINC000111135265 186356913 /nfs/dbraw/zinc/35/69/13/186356913.db2.gz UOKMGGNULRKTCN-AWEZNQCLSA-N 1 3 275.396 2.187 10 0 CEAEHO CC[NH2+][C@H](CN(C)CCN(C)C)c1ccc(C)cc1C ZINC000111134608 186357202 /nfs/dbraw/zinc/35/72/02/186357202.db2.gz QATSWPXJJKWZRG-QGZVFWFLSA-N 1 3 277.456 2.447 10 0 CEAEHO CC[NH2+][C@H](c1ccccc1)[C@H](C)CN(C)CCN(C)C ZINC000111147472 186358642 /nfs/dbraw/zinc/35/86/42/186358642.db2.gz UZJQCVSFOGKJAE-WBVHZDCISA-N 1 3 277.456 2.467 10 0 CEAEHO CC(C)C[NH2+]CC[C@H](C)N(C)CC1CCOCC1 ZINC000111175705 186365754 /nfs/dbraw/zinc/36/57/54/186365754.db2.gz QCPUXJXVXUKSMD-AWEZNQCLSA-N 1 3 256.434 2.369 10 0 CEAEHO CC[C@@]1(C[N@H+](C)C[C@@H]2CCCOC2)CCCNC1 ZINC000111179161 186366054 /nfs/dbraw/zinc/36/60/54/186366054.db2.gz AVKLWFSGRAVHSO-LSDHHAIUSA-N 1 3 254.418 2.125 10 0 CEAEHO CC[C@@]1(C[N@@H+](C)C[C@@H]2CCCOC2)CCCNC1 ZINC000111179161 186366056 /nfs/dbraw/zinc/36/60/56/186366056.db2.gz AVKLWFSGRAVHSO-LSDHHAIUSA-N 1 3 254.418 2.125 10 0 CEAEHO CC[C@@]1(CN(C)C[C@@H]2CCCOC2)CCC[NH2+]C1 ZINC000111179161 186366057 /nfs/dbraw/zinc/36/60/57/186366057.db2.gz AVKLWFSGRAVHSO-LSDHHAIUSA-N 1 3 254.418 2.125 10 0 CEAEHO CC(C)[NH2+]C[C@@]1(CN2CCCC[C@@H]2CCO)CCCOC1 ZINC000111324392 186396936 /nfs/dbraw/zinc/39/69/36/186396936.db2.gz NGKLGQUSAFIELF-IAGOWNOFSA-N 1 3 298.471 2.018 10 0 CEAEHO C[C@H](NCCc1cc(F)cc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000570918455 299285288 /nfs/dbraw/zinc/28/52/88/299285288.db2.gz LVXKSLDHMQMZJQ-AAEUAGOBSA-N 1 3 268.351 2.485 10 0 CEAEHO C[C@H]([NH2+]CCc1cc(F)cc(F)c1)[C@H]1CCCNC1 ZINC000570918455 299285291 /nfs/dbraw/zinc/28/52/91/299285291.db2.gz LVXKSLDHMQMZJQ-AAEUAGOBSA-N 1 3 268.351 2.485 10 0 CEAEHO C[C@@H](NCCc1cc(F)cc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000570918456 299285487 /nfs/dbraw/zinc/28/54/87/299285487.db2.gz LVXKSLDHMQMZJQ-DGCLKSJQSA-N 1 3 268.351 2.485 10 0 CEAEHO C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)[C@@H]1CCCNC1 ZINC000570918456 299285491 /nfs/dbraw/zinc/28/54/91/299285491.db2.gz LVXKSLDHMQMZJQ-DGCLKSJQSA-N 1 3 268.351 2.485 10 0 CEAEHO COc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCCNC2)cc1 ZINC000580289939 366776416 /nfs/dbraw/zinc/77/64/16/366776416.db2.gz NVLAMCCPLILZKJ-DZGCQCFKSA-N 1 3 262.397 2.215 10 0 CEAEHO COc1ccc(CCN[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000580289939 366776422 /nfs/dbraw/zinc/77/64/22/366776422.db2.gz NVLAMCCPLILZKJ-DZGCQCFKSA-N 1 3 262.397 2.215 10 0 CEAEHO CCC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)N(C)C ZINC000162616641 367173363 /nfs/dbraw/zinc/17/33/63/367173363.db2.gz PRYDOPYTDAMHAJ-JKSUJKDBSA-N 1 3 297.487 2.201 10 0 CEAEHO CCC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)N(C)C ZINC000162616641 367173369 /nfs/dbraw/zinc/17/33/69/367173369.db2.gz PRYDOPYTDAMHAJ-JKSUJKDBSA-N 1 3 297.487 2.201 10 0 CEAEHO Brc1ccc(CC[NH2+]C2CCNCC2)cc1 ZINC000258991107 371621777 /nfs/dbraw/zinc/62/17/77/371621777.db2.gz MNXIEPGEPPLVFV-UHFFFAOYSA-N 1 3 283.213 2.333 10 0 CEAEHO Brc1ccc(CCNC2CC[NH2+]CC2)cc1 ZINC000258991107 371621782 /nfs/dbraw/zinc/62/17/82/371621782.db2.gz MNXIEPGEPPLVFV-UHFFFAOYSA-N 1 3 283.213 2.333 10 0 CEAEHO CCOc1cccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261581491 371660915 /nfs/dbraw/zinc/66/09/15/371660915.db2.gz GESGXVNZQWBSCS-BPUTZDHNSA-N 1 3 260.381 2.254 10 0 CEAEHO CCN(CC(C)(C)O)CC1(C[NH2+]C)CCCCC1 ZINC000092983443 184640494 /nfs/dbraw/zinc/64/04/94/184640494.db2.gz FEQZCKLTFZCVJS-UHFFFAOYSA-N 1 3 256.434 2.249 10 0 CEAEHO CC[N@H+](CC(C)(C)O)CC1(CNC)CCCCC1 ZINC000092983443 184640495 /nfs/dbraw/zinc/64/04/95/184640495.db2.gz FEQZCKLTFZCVJS-UHFFFAOYSA-N 1 3 256.434 2.249 10 0 CEAEHO CC[N@@H+](CC(C)(C)O)CC1(CNC)CCCCC1 ZINC000092983443 184640496 /nfs/dbraw/zinc/64/04/96/184640496.db2.gz FEQZCKLTFZCVJS-UHFFFAOYSA-N 1 3 256.434 2.249 10 0 CEAEHO CCCN1CCN(C[C@H]2CCC(C)(C)[C@H]2[NH2+]CC)CC1 ZINC000094315776 184779497 /nfs/dbraw/zinc/77/94/97/184779497.db2.gz GQEKYOQONLZCTO-CVEARBPZSA-N 1 3 281.488 2.428 10 0 CEAEHO C[C@@H](NCCCN1CCc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400464957 533382940 /nfs/dbraw/zinc/38/29/40/533382940.db2.gz VTTNQHBUBYBLRX-GDBMZVCRSA-N 1 3 273.424 2.027 10 0 CEAEHO C[NH+](C)[C@H]1CCCN(c2cc(Cl)ccc2CN)C1 ZINC000091394618 135069089 /nfs/dbraw/zinc/06/90/89/135069089.db2.gz XVDQVNWVVHQRCZ-ZDUSSCGKSA-N 1 3 267.804 2.329 10 0 CEAEHO C[NH+](C)CC1CCN(c2cccc(F)c2CN)CC1 ZINC000093395323 135080207 /nfs/dbraw/zinc/08/02/07/135080207.db2.gz DZSYYZBMGLDJOS-UHFFFAOYSA-N 1 3 265.376 2.062 10 0 CEAEHO CC(C)[NH2+]Cc1ccc(N2CCN3CCCC[C@@H]3C2)nc1 ZINC000094443164 135088479 /nfs/dbraw/zinc/08/84/79/135088479.db2.gz JCFIJHVBAQZMKW-MRXNPFEDSA-N 1 3 288.439 2.254 10 0 CEAEHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H](O)C(C)(C)C ZINC000324462840 394550133 /nfs/dbraw/zinc/55/01/33/394550133.db2.gz YMPKQIHXBFLIEQ-RDBSUJKOSA-N 1 3 256.434 2.294 10 0 CEAEHO C[NH+](C)CC(C)(C)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000130103135 394881202 /nfs/dbraw/zinc/88/12/02/394881202.db2.gz JQAINLFEVROKFP-CYBMUJFWSA-N 1 3 299.459 2.173 10 0 CEAEHO COCc1nc(CNC(C)(C)CCC[NH+](C)C)cs1 ZINC000648752661 395974889 /nfs/dbraw/zinc/97/48/89/395974889.db2.gz GTMLFUSNHNTBOC-UHFFFAOYSA-N 1 3 285.457 2.500 10 0 CEAEHO CCCN1CCN([C@H](C[NH3+])c2ccc(CC)cc2)CC1 ZINC000020179536 171044587 /nfs/dbraw/zinc/04/45/87/171044587.db2.gz HTTVQZJJNCQTSY-QGZVFWFLSA-N 1 3 275.440 2.276 10 0 CEAEHO CO[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000040623401 174355379 /nfs/dbraw/zinc/35/53/79/174355379.db2.gz YZTYBCUSGQSHFW-ZNMIVQPWSA-N 1 3 254.418 2.264 10 0 CEAEHO CC[C@@H]([NH3+])[C@H](c1ccncc1)N1CCN(C(C)(C)C)CC1 ZINC000043354134 175021737 /nfs/dbraw/zinc/02/17/37/175021737.db2.gz CGNHOZPHMHQCDI-CVEARBPZSA-N 1 3 290.455 2.276 10 0 CEAEHO CCC[C@H]([NH2+]C)[C@H](CC)N1CCN(C(C)C)CC1 ZINC000043896974 175119729 /nfs/dbraw/zinc/11/97/29/175119729.db2.gz VLKIPPZMEYDFIH-GJZGRUSLSA-N 1 3 255.450 2.179 10 0 CEAEHO CC[NH2+][C@H](CN1CCN(C(C)(C)C)CC1)C(C)(C)C ZINC000043965576 175127369 /nfs/dbraw/zinc/12/73/69/175127369.db2.gz NHOBGWXYUHSXQU-CQSZACIVSA-N 1 3 269.477 2.427 10 0 CEAEHO C[C@H](C(=O)Nc1ccc(C[NH3+])cc1)N(C)CC(C)(C)C ZINC000045068619 175300547 /nfs/dbraw/zinc/30/05/47/175300547.db2.gz HKJFRMVZOQQOMN-GFCCVEGCSA-N 1 3 277.412 2.450 10 0 CEAEHO CC[NH2+][C@H](C)c1ccc(NC(=O)NC[C@H](C)N(C)C)cc1 ZINC000045113979 175311243 /nfs/dbraw/zinc/31/12/43/175311243.db2.gz CQHJEGSYLSVBRN-QWHCGFSZSA-N 1 3 292.427 2.429 10 0 CEAEHO CC[C@H]1CCC[C@@](CN)([N@H+](C)CCCN(C)C)C1 ZINC000071124982 176035461 /nfs/dbraw/zinc/03/54/61/176035461.db2.gz MEXUIRHKVXDQSD-LSDHHAIUSA-N 1 3 255.450 2.168 10 0 CEAEHO CC[C@H]1CCC[C@@](CN)([N@@H+](C)CCCN(C)C)C1 ZINC000071124982 176035463 /nfs/dbraw/zinc/03/54/63/176035463.db2.gz MEXUIRHKVXDQSD-LSDHHAIUSA-N 1 3 255.450 2.168 10 0 CEAEHO CN1CC[C@H](C[N@H+](C)Cc2ccc(Cl)cc2N)C1 ZINC000071187840 176061557 /nfs/dbraw/zinc/06/15/57/176061557.db2.gz DDBJUBGFVWGDTI-NSHDSACASA-N 1 3 267.804 2.306 10 0 CEAEHO CN1CC[C@H](C[N@@H+](C)Cc2ccc(Cl)cc2N)C1 ZINC000071187840 176061558 /nfs/dbraw/zinc/06/15/58/176061558.db2.gz DDBJUBGFVWGDTI-NSHDSACASA-N 1 3 267.804 2.306 10 0 CEAEHO CC[C@@H]1CC[C@@H](CN)[C@H]([N@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071188214 176062479 /nfs/dbraw/zinc/06/24/79/176062479.db2.gz RXQVDDFLLNQEQT-LVQVYYBASA-N 1 3 267.461 2.024 10 0 CEAEHO CC[C@@H]1CC[C@@H](CN)[C@H]([N@@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071188214 176062481 /nfs/dbraw/zinc/06/24/81/176062481.db2.gz RXQVDDFLLNQEQT-LVQVYYBASA-N 1 3 267.461 2.024 10 0 CEAEHO CN(C[C@H]1CC[N@H+](C)C1)[C@@H](CC(N)=S)c1ccccc1 ZINC000071189184 176064381 /nfs/dbraw/zinc/06/43/81/176064381.db2.gz RYQYBDAULNYYKF-ZFWWWQNUSA-N 1 3 291.464 2.287 10 0 CEAEHO CN(C[C@H]1CC[N@@H+](C)C1)[C@@H](CC(N)=S)c1ccccc1 ZINC000071189184 176064382 /nfs/dbraw/zinc/06/43/82/176064382.db2.gz RYQYBDAULNYYKF-ZFWWWQNUSA-N 1 3 291.464 2.287 10 0 CEAEHO CNCc1c(Cl)cccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190003 176065615 /nfs/dbraw/zinc/06/56/15/176065615.db2.gz ZHNBSDQNDRWCFP-GFCCVEGCSA-N 1 3 281.831 2.447 10 0 CEAEHO CNCc1c(Cl)cccc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190003 176065616 /nfs/dbraw/zinc/06/56/16/176065616.db2.gz ZHNBSDQNDRWCFP-GFCCVEGCSA-N 1 3 281.831 2.447 10 0 CEAEHO CN[C@H](CC[N@H+](C)C[C@@H]1CCN(C)C1)c1cccc(F)c1 ZINC000071191259 176070780 /nfs/dbraw/zinc/07/07/80/176070780.db2.gz GYFPWZQSIHDBCX-RHSMWYFYSA-N 1 3 293.430 2.360 10 0 CEAEHO CN[C@H](CC[N@@H+](C)C[C@@H]1CCN(C)C1)c1cccc(F)c1 ZINC000071191259 176070781 /nfs/dbraw/zinc/07/07/81/176070781.db2.gz GYFPWZQSIHDBCX-RHSMWYFYSA-N 1 3 293.430 2.360 10 0 CEAEHO CC(C)NCc1ccc(CN(C)C[C@H]2CC[N@H+](C)C2)o1 ZINC000071191959 176071028 /nfs/dbraw/zinc/07/10/28/176071028.db2.gz DHJLRSDVSFHLRK-AWEZNQCLSA-N 1 3 279.428 2.161 10 0 CEAEHO CC(C)NCc1ccc(CN(C)C[C@H]2CC[N@@H+](C)C2)o1 ZINC000071191959 176071029 /nfs/dbraw/zinc/07/10/29/176071029.db2.gz DHJLRSDVSFHLRK-AWEZNQCLSA-N 1 3 279.428 2.161 10 0 CEAEHO CCOC(=O)CCCCC[NH2+]C[C@@H]1CCN(CC)C1 ZINC000071293563 176111584 /nfs/dbraw/zinc/11/15/84/176111584.db2.gz LPSDOZZVHBQPKM-AWEZNQCLSA-N 1 3 270.417 2.041 10 0 CEAEHO CN(C[C@@H](CC[NH3+])N1CCCCC1)c1ccccc1 ZINC000076673557 177054997 /nfs/dbraw/zinc/05/49/97/177054997.db2.gz VYUPXUSUQLVBKM-MRXNPFEDSA-N 1 3 261.413 2.326 10 0 CEAEHO COc1ccc(CCN(C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000231670279 270314790 /nfs/dbraw/zinc/31/47/90/270314790.db2.gz VTVVWKAUFIKHSV-HNNXBMFYSA-N 1 3 262.397 2.312 10 0 CEAEHO COc1ccc(CC[N@H+](C)[C@H]2CCCNCC2)cc1 ZINC000231670279 270314791 /nfs/dbraw/zinc/31/47/91/270314791.db2.gz VTVVWKAUFIKHSV-HNNXBMFYSA-N 1 3 262.397 2.312 10 0 CEAEHO COc1ccc(CC[N@@H+](C)[C@H]2CCCNCC2)cc1 ZINC000231670279 270314792 /nfs/dbraw/zinc/31/47/92/270314792.db2.gz VTVVWKAUFIKHSV-HNNXBMFYSA-N 1 3 262.397 2.312 10 0 CEAEHO C[C@@H](CN[C@@H]1CCC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000390609535 262226817 /nfs/dbraw/zinc/22/68/17/262226817.db2.gz ZDWWJVAYJFOJAR-DOTOQJQBSA-N 1 3 275.440 2.239 10 0 CEAEHO CC(C)N(C)CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000224589393 270309376 /nfs/dbraw/zinc/30/93/76/270309376.db2.gz DZIVAAXZCUBPFK-MJBXVCDLSA-N 1 3 254.418 2.120 10 0 CEAEHO C[C@@H](CN(C)Cc1ccccc1)N[C@H]1CCC[NH2+]CC1 ZINC000261557575 278242176 /nfs/dbraw/zinc/24/21/76/278242176.db2.gz XMCRTDJXMPLETH-RDJZCZTQSA-N 1 3 275.440 2.239 10 0 CEAEHO CC(C)(C)C[C@H](C[NH3+])N1CCN(C2CCCC2)CC1 ZINC000061840075 518686832 /nfs/dbraw/zinc/68/68/32/518686832.db2.gz VUYJRCLQVQGWHZ-OAHLLOKOSA-N 1 3 267.461 2.310 10 0 CEAEHO CC(C)C[C@H](CN(C)C)NC(=O)CCC1CCC([NH3+])CC1 ZINC000055138103 519334499 /nfs/dbraw/zinc/33/44/99/519334499.db2.gz JGCFGCDBGMIDGQ-UYSNPLJNSA-N 1 3 297.487 2.377 10 0 CEAEHO CC(C)NCc1cnc(N2CCC([NH+](C)C)CC2)s1 ZINC000054903723 519728716 /nfs/dbraw/zinc/72/87/16/519728716.db2.gz LTDYCPHLKHUMOU-UHFFFAOYSA-N 1 3 282.457 2.172 10 0 CEAEHO CCCN1CCN([C@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054554494 519859993 /nfs/dbraw/zinc/85/99/93/519859993.db2.gz HQELBNPWCPPEEM-PMPSAXMXSA-N 1 3 267.461 2.166 10 0 CEAEHO CC[NH2+]C[C@@](C)(CC)CN1CCN([C@@H](C)CC)CC1 ZINC000055071846 519958066 /nfs/dbraw/zinc/95/80/66/519958066.db2.gz UDIMTZGCNNTCLY-JKSUJKDBSA-N 1 3 269.477 2.428 10 0 CEAEHO CCO[C@@H]1CCCN(Cc2ccc(C[NH2+]C)cc2)C1 ZINC000052372285 520319625 /nfs/dbraw/zinc/31/96/25/520319625.db2.gz WCWACBDCUZLNCA-MRXNPFEDSA-N 1 3 262.397 2.407 10 0 CEAEHO CCN1CCC(N(C)c2nc(C)c(C[NH2+]C)s2)CC1 ZINC000055000546 521567036 /nfs/dbraw/zinc/56/70/36/521567036.db2.gz VHVOMQNDUPTOLJ-UHFFFAOYSA-N 1 3 282.457 2.091 10 0 CEAEHO CCCN(CCN(C)C)C[C@H](C)C[NH2+]C(C)(C)C ZINC000052544154 521656351 /nfs/dbraw/zinc/65/63/51/521656351.db2.gz JXDCITPUHIERAC-CQSZACIVSA-N 1 3 257.466 2.284 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](C[NH3+])c2ccccc2)CC1 ZINC000055063871 522129208 /nfs/dbraw/zinc/12/92/08/522129208.db2.gz YFMAHRMSCHNOMP-ZBFHGGJFSA-N 1 3 261.413 2.103 10 0 CEAEHO CC(C)N1CCN(c2cc(Cl)ccc2C(N)=[NH2+])CC1 ZINC000062788825 519683351 /nfs/dbraw/zinc/68/33/51/519683351.db2.gz IQAULBXYMMPYGO-UHFFFAOYSA-N 1 3 280.803 2.154 10 0 CEAEHO CC(C)[NH2+]CC[C@@H](C)N1CCN(C(C)(C)C)CC1 ZINC000052571717 519722243 /nfs/dbraw/zinc/72/22/43/519722243.db2.gz STRRQILLBMXYPY-CQSZACIVSA-N 1 3 255.450 2.179 10 0 CEAEHO CC(C)[NH2+]C[C@@H](C)CN1CCN(C(C)(C)C)CC1 ZINC000052571602 519722731 /nfs/dbraw/zinc/72/27/31/519722731.db2.gz ZHFWYZIKXUIZHE-CQSZACIVSA-N 1 3 255.450 2.037 10 0 CEAEHO CC(C)CN1CCN(CC[NH2+][C@@H]2CCC[C@@H](C)C2)CC1 ZINC000055076031 519726009 /nfs/dbraw/zinc/72/60/09/519726009.db2.gz FFSOTZTZRIINCK-IAGOWNOFSA-N 1 3 281.488 2.428 10 0 CEAEHO CC(C)CN1CCN(CC[C@@H]([NH3+])c2cccc(F)c2)CC1 ZINC000055082188 519726057 /nfs/dbraw/zinc/72/60/57/519726057.db2.gz IRYMQADAIYTJPM-QGZVFWFLSA-N 1 3 293.430 2.489 10 0 CEAEHO CC(C)CN1CCN(C[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000055083645 519726665 /nfs/dbraw/zinc/72/66/65/519726665.db2.gz WPJAKXCXBGFKGE-GOSISDBHSA-N 1 3 287.451 2.147 10 0 CEAEHO CC(C)CN1CCN([C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000055078265 519727488 /nfs/dbraw/zinc/72/74/88/519727488.db2.gz KVTYBBMMKSGGRG-INIZCTEOSA-N 1 3 267.461 2.168 10 0 CEAEHO CC(C)CN1CCN([C@@H](C[NH3+])c2ccc(F)cc2F)CC1 ZINC000055078209 519727688 /nfs/dbraw/zinc/72/76/88/519727688.db2.gz ODWRDYKPPNXTIQ-INIZCTEOSA-N 1 3 297.393 2.238 10 0 CEAEHO CC(C)NCc1cccnc1N1CCC[C@@H]1C[NH+](C)C ZINC000061654201 519727965 /nfs/dbraw/zinc/72/79/65/519727965.db2.gz HJQBPMVFKJWWMH-OAHLLOKOSA-N 1 3 276.428 2.110 10 0 CEAEHO CC(C)C[NH2+]C[C@H](C)CN1CCN(CC(C)C)CC1 ZINC000055083056 519745660 /nfs/dbraw/zinc/74/56/60/519745660.db2.gz RMXQLIFDPXXIGF-INIZCTEOSA-N 1 3 269.477 2.142 10 0 CEAEHO CC(C)C[NH2+]Cc1coc(COCCN(C)C)c1 ZINC000052669766 519748353 /nfs/dbraw/zinc/74/83/53/519748353.db2.gz UEUXKVPVBHHHIK-UHFFFAOYSA-N 1 3 254.374 2.103 10 0 CEAEHO CC(C)[C@H](C[NH2+]C1CC1)N1CCN(C2CCCC2)CC1 ZINC000052573435 519815769 /nfs/dbraw/zinc/81/57/69/519815769.db2.gz HQDOZCOUXOAZDP-KRWDZBQOSA-N 1 3 279.472 2.323 10 0 CEAEHO CCC[NH2+]CCCCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000052573025 519912443 /nfs/dbraw/zinc/91/24/43/519912443.db2.gz YORLDGWLJJCSEC-LSDHHAIUSA-N 1 3 254.418 2.410 10 0 CEAEHO CCC[NH2+]C[C@H](C(C)C)N(CCC)CCN(C)C ZINC000052544099 519928841 /nfs/dbraw/zinc/92/88/41/519928841.db2.gz HRJVWLRABVHCGB-OAHLLOKOSA-N 1 3 257.466 2.284 10 0 CEAEHO CCC[NH2+]C[C@H](CC)N1CCN(CC(C)C)CC1 ZINC000055083002 519931763 /nfs/dbraw/zinc/93/17/63/519931763.db2.gz IDUZXMLBBIUXQI-HNNXBMFYSA-N 1 3 255.450 2.038 10 0 CEAEHO CC[NH2+]C[C@@H]1CC[C@H](CN(C)Cc2cccs2)O1 ZINC000052456347 519952925 /nfs/dbraw/zinc/95/29/25/519952925.db2.gz BVKVGVLMPYIJGR-QWHCGFSZSA-N 1 3 268.426 2.337 10 0 CEAEHO CCC[NH2+][C@@H](CC)[C@@H](C)N1CCN(CC(C)C)CC1 ZINC000055079375 519993407 /nfs/dbraw/zinc/99/34/07/519993407.db2.gz UPPURYPUDNTFNC-CVEARBPZSA-N 1 3 269.477 2.427 10 0 CEAEHO CCC[NH2+][C@@H](CN1CCN(CC(C)C)CC1)C1CC1 ZINC000069075044 520008509 /nfs/dbraw/zinc/00/85/09/520008509.db2.gz HMUYKDAMXMXZNQ-INIZCTEOSA-N 1 3 267.461 2.038 10 0 CEAEHO CC[NH2+]Cc1coc(CN2CCN(C(C)(C)C)CC2)c1 ZINC000052571657 520018838 /nfs/dbraw/zinc/01/88/38/520018838.db2.gz IUDYRAAAOGGKLU-UHFFFAOYSA-N 1 3 279.428 2.305 10 0 CEAEHO CC[NH2+]Cc1sc(N(C)C2CCN(C)CC2)nc1CC ZINC000054994904 520033307 /nfs/dbraw/zinc/03/33/07/520033307.db2.gz CHWLPKGXGKIHNC-UHFFFAOYSA-N 1 3 296.484 2.345 10 0 CEAEHO CC[NH2+][C@@H]1CCCC[C@@H]1N1CCN(CC(C)C)CC1 ZINC000055079154 520116574 /nfs/dbraw/zinc/11/65/74/520116574.db2.gz QKGLPAWZFDHCMJ-CVEARBPZSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CN(CC)CCOC ZINC000053875776 520122733 /nfs/dbraw/zinc/12/27/33/520122733.db2.gz NYWYIRNQQYNPBQ-RBSFLKMASA-N 1 3 256.434 2.369 10 0 CEAEHO CC[NH2+][C@H](CN1CCC[C@@H]1CN(C)C)C(C)(C)C ZINC000061643712 520196844 /nfs/dbraw/zinc/19/68/44/520196844.db2.gz DCOSUQCVHCZIHX-ZIAGYGMSSA-N 1 3 255.450 2.037 10 0 CEAEHO CCNc1cc(CN2CCC(C[NH+](C)C)CC2)ccn1 ZINC000052725821 520273082 /nfs/dbraw/zinc/27/30/82/520273082.db2.gz LZCQFKLSWUWKIA-UHFFFAOYSA-N 1 3 276.428 2.287 10 0 CEAEHO CCCOc1ccc([C@H](C[NH3+])N2CCCN(C)CC2)cc1 ZINC000052919930 520427375 /nfs/dbraw/zinc/42/73/75/520427375.db2.gz CDGFPXSQRAUPSI-KRWDZBQOSA-N 1 3 291.439 2.113 10 0 CEAEHO CCC[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)N(C)C ZINC000164273749 520576907 /nfs/dbraw/zinc/57/69/07/520576907.db2.gz YGQGLQBLUZNINL-INIZCTEOSA-N 1 3 295.471 2.051 10 0 CEAEHO CCN(CC1CC1)[C@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC000069237263 520966304 /nfs/dbraw/zinc/96/63/04/520966304.db2.gz GHJUCKCZJSINPD-GFCCVEGCSA-N 1 3 275.396 2.204 10 0 CEAEHO CCC[C@H]1CN[C@H](C(C)C)C[N@@H+]1CCn1ccnc1C ZINC000068695579 521224237 /nfs/dbraw/zinc/22/42/37/521224237.db2.gz DWXRWQQJECNDJJ-HOTGVXAUSA-N 1 3 278.444 2.290 10 0 CEAEHO CCC[C@H]1CN[C@H](C(C)C)C[N@H+]1CCn1ccnc1C ZINC000068695579 521224246 /nfs/dbraw/zinc/22/42/46/521224246.db2.gz DWXRWQQJECNDJJ-HOTGVXAUSA-N 1 3 278.444 2.290 10 0 CEAEHO CCC[C@](C)(C[NH2+]C)CN1CCN([C@H](C)CC)CC1 ZINC000055071683 521266219 /nfs/dbraw/zinc/26/62/19/521266219.db2.gz ZOXSYGJNKHPVGL-HZPDHXFCSA-N 1 3 269.477 2.428 10 0 CEAEHO CCC(C)(C)[NH2+]C[C@@H](C)N1CCC[C@@H]1CN(C)C ZINC000061655137 521352177 /nfs/dbraw/zinc/35/21/77/521352177.db2.gz BDMSAPWBHKXCBK-ZIAGYGMSSA-N 1 3 255.450 2.179 10 0 CEAEHO CC[NH+]1CCC(N(C)Cc2cc(CNC)c(C)o2)CC1 ZINC000052543990 521564993 /nfs/dbraw/zinc/56/49/93/521564993.db2.gz SPJGKTJQXQCBNS-UHFFFAOYSA-N 1 3 279.428 2.224 10 0 CEAEHO CC[NH+]1CCC(N(C)[C@H]2CNCc3ccccc32)CC1 ZINC000069266622 521567149 /nfs/dbraw/zinc/56/71/49/521567149.db2.gz LBYIHHALNOHUSI-KRWDZBQOSA-N 1 3 273.424 2.247 10 0 CEAEHO CCC(CC)[NH2+]C[C@@H](C)N1CCN(CC(C)C)CC1 ZINC000055075912 521596592 /nfs/dbraw/zinc/59/65/92/521596592.db2.gz QDPSDTIFAOTBNW-OAHLLOKOSA-N 1 3 269.477 2.427 10 0 CEAEHO CCOC1CCN(Cc2ccc(C[NH2+]C)cc2)CC1 ZINC000052484070 521656717 /nfs/dbraw/zinc/65/67/17/521656717.db2.gz VNXZOIXUVXBVKT-UHFFFAOYSA-N 1 3 262.397 2.407 10 0 CEAEHO C[NH+](C)[C@@H]1CCN(Cc2cc(CNC(C)(C)C)co2)C1 ZINC000062971794 522051724 /nfs/dbraw/zinc/05/17/24/522051724.db2.gz ARNKQMRMJROSFR-CQSZACIVSA-N 1 3 279.428 2.304 10 0 CEAEHO C[NH2+]C[C@H](c1ccccc1)N1CCN(C(C)(C)C)CC1 ZINC000052571710 522077836 /nfs/dbraw/zinc/07/78/36/522077836.db2.gz VABFIZHUMKVIDC-MRXNPFEDSA-N 1 3 275.440 2.363 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@@H](C)C[NH2+]C(C)C)CC1 ZINC000055074711 522122623 /nfs/dbraw/zinc/12/26/23/522122623.db2.gz LYRJHTHJKQVICC-LSDHHAIUSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@H]2CCCC[C@@H]2[NH2+]C)CC1 ZINC000055072569 522124006 /nfs/dbraw/zinc/12/40/06/522124006.db2.gz BLIDCSDEMZZBOK-OAGGEKHMSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C[NH3+])c2cccc(C)c2)CC1 ZINC000055063619 522132465 /nfs/dbraw/zinc/13/24/65/522132465.db2.gz NFOHRFPTDDPPQZ-NVXWUHKLSA-N 1 3 275.440 2.411 10 0 CEAEHO CC[C@@H](C)N1CCN([C@]2(C[NH3+])CCCC[C@@H]2C)CC1 ZINC000055064714 522134650 /nfs/dbraw/zinc/13/46/50/522134650.db2.gz ICIDFFMUSHGZDW-XHSDSOJGSA-N 1 3 267.461 2.310 10 0 CEAEHO CNCc1occc1C[N@H+](CCOC)[C@H](C)C1CC1 ZINC000052545358 522165064 /nfs/dbraw/zinc/16/50/64/522165064.db2.gz AFXIOWTXPAGODW-GFCCVEGCSA-N 1 3 266.385 2.246 10 0 CEAEHO CNCc1occc1C[N@@H+](CCOC)[C@H](C)C1CC1 ZINC000052545358 522165077 /nfs/dbraw/zinc/16/50/77/522165077.db2.gz AFXIOWTXPAGODW-GFCCVEGCSA-N 1 3 266.385 2.246 10 0 CEAEHO CC[C@@H](C[NH2+]C(C)(C)C)N1CCN(C(C)C)CC1 ZINC000052479995 522543319 /nfs/dbraw/zinc/54/33/19/522543319.db2.gz TWSXSEXKMUPJGD-AWEZNQCLSA-N 1 3 255.450 2.179 10 0 CEAEHO COC1CCN(C[C@@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052455441 522704957 /nfs/dbraw/zinc/70/49/57/522704957.db2.gz FLOMHAIRHWRYTA-GJZGRUSLSA-N 1 3 284.444 2.033 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000055074103 523957951 /nfs/dbraw/zinc/95/79/51/523957951.db2.gz BBPDBUGQIPAWFJ-KBPBESRZSA-N 1 3 255.450 2.179 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C[NH3+])c2ccccc2C)CC1 ZINC000055064085 523958318 /nfs/dbraw/zinc/95/83/18/523958318.db2.gz LBBVFGQRRLFVOF-RDJZCZTQSA-N 1 3 275.440 2.411 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H]2CCCCC[C@@H]2[NH2+]C)CC1 ZINC000055065225 523958348 /nfs/dbraw/zinc/95/83/48/523958348.db2.gz FJXZYARLLQWEOD-HRCADAONSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@H](C)N1CCN([C@H]2CCc3ccccc3[C@@H]2[NH3+])CC1 ZINC000055065310 523959710 /nfs/dbraw/zinc/95/97/10/523959710.db2.gz FMTIIXVSXBTDMH-WBAXXEDZSA-N 1 3 287.451 2.417 10 0 CEAEHO C[C@@H](CCC[NH2+]C1CC1)N1C[C@@H](C)OC(C)(C)C1 ZINC000052543563 524459509 /nfs/dbraw/zinc/45/95/09/524459509.db2.gz GLUNWXYDRKVCLP-QWHCGFSZSA-N 1 3 254.418 2.406 10 0 CEAEHO Cc1n[nH]cc1CCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157433316 525498360 /nfs/dbraw/zinc/49/83/60/525498360.db2.gz XGSRJXVTLJCPBE-HOTGVXAUSA-N 1 3 270.380 2.385 10 0 CEAEHO Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CCN(CC(C)C)CC2)o1 ZINC000055077053 525786091 /nfs/dbraw/zinc/78/60/91/525786091.db2.gz CHMFKXCVMBFUOS-GDBMZVCRSA-N 1 3 279.428 2.250 10 0 CEAEHO Cc1nc(N2CCC[C@H]2CN(C)C)sc1C[NH2+]C(C)C ZINC000061655592 526966174 /nfs/dbraw/zinc/96/61/74/526966174.db2.gz PLTJVIVBYDVXBZ-ZDUSSCGKSA-N 1 3 296.484 2.480 10 0 CEAEHO NCC1(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCOCC1 ZINC000052181994 527163523 /nfs/dbraw/zinc/16/35/23/527163523.db2.gz SUPRGKGBTDMYJF-LSDHHAIUSA-N 1 3 266.429 2.254 10 0 CEAEHO NCC1(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCOCC1 ZINC000052181994 527163524 /nfs/dbraw/zinc/16/35/24/527163524.db2.gz SUPRGKGBTDMYJF-LSDHHAIUSA-N 1 3 266.429 2.254 10 0 CEAEHO NCC[C@@H](c1ccccc1)[N@H+](CCO)C1CCCC1 ZINC000055017142 527190189 /nfs/dbraw/zinc/19/01/89/527190189.db2.gz ZOZYLIRFJRTZGL-INIZCTEOSA-N 1 3 262.397 2.313 10 0 CEAEHO NCC[C@@H](c1ccccc1)[N@@H+](CCO)C1CCCC1 ZINC000055017142 527190194 /nfs/dbraw/zinc/19/01/94/527190194.db2.gz ZOZYLIRFJRTZGL-INIZCTEOSA-N 1 3 262.397 2.313 10 0 CEAEHO [NH3+]CC[C@@H](c1ccccc1)N(CCO)C1CCCC1 ZINC000055017142 527190201 /nfs/dbraw/zinc/19/02/01/527190201.db2.gz ZOZYLIRFJRTZGL-INIZCTEOSA-N 1 3 262.397 2.313 10 0 CEAEHO [NH3+]C[C@H]1CCCCC[C@H]1N(CCO)Cc1ccccc1 ZINC000050514171 527230478 /nfs/dbraw/zinc/23/04/78/527230478.db2.gz KNDDSWOBPQUEHE-IAGOWNOFSA-N 1 3 276.424 2.389 10 0 CEAEHO NC[C@H]1CCCCC[C@H]1[N@H+](CCO)Cc1ccccc1 ZINC000050514171 527230480 /nfs/dbraw/zinc/23/04/80/527230480.db2.gz KNDDSWOBPQUEHE-IAGOWNOFSA-N 1 3 276.424 2.389 10 0 CEAEHO NC[C@H]1CCCCC[C@H]1[N@@H+](CCO)Cc1ccccc1 ZINC000050514171 527230483 /nfs/dbraw/zinc/23/04/83/527230483.db2.gz KNDDSWOBPQUEHE-IAGOWNOFSA-N 1 3 276.424 2.389 10 0 CEAEHO Cc1nccn1CCN1CC[NH2+][C@](C)(c2ccccc2)C1 ZINC000068693712 527427339 /nfs/dbraw/zinc/42/73/39/527427339.db2.gz OWJMVAVFIHUAFS-KRWDZBQOSA-N 1 3 284.407 2.012 10 0 CEAEHO O[C@@]12CCCC[C@@H]1CN(CCC[NH+]1CCCCC1)CC2 ZINC000161612594 527682418 /nfs/dbraw/zinc/68/24/18/527682418.db2.gz DIGTZKNKIZILCP-IAGOWNOFSA-N 1 3 280.456 2.489 10 0 CEAEHO C1CC1[NH+]1CCC2(CC1)N[C@H]1CCCC[C@@H]1CO2 ZINC000757138108 574510118 /nfs/dbraw/zinc/51/01/18/574510118.db2.gz ASHIXBZKTMVZQD-OCCSQVGLSA-N 1 3 250.386 2.120 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCOc3ccc(Cl)cc3)C[C@@H]12 ZINC000261606185 623394602 /nfs/dbraw/zinc/39/46/02/623394602.db2.gz RMCHZKLPJIECOG-KCPJHIHWSA-N 1 3 280.799 2.388 10 0 CEAEHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@@H]1CCCO1 ZINC000036961235 361875093 /nfs/dbraw/zinc/87/50/93/361875093.db2.gz XJXYXKVMIPWOFT-BBRMVZONSA-N 1 3 275.396 2.208 10 0 CEAEHO C[C@H](Cn1cncc1[C@H]1CCC[C@@H](C)N1)[NH+](C)C ZINC000097020148 185152705 /nfs/dbraw/zinc/15/27/05/185152705.db2.gz DZANVTWYEGUILW-JHJVBQTASA-N 1 3 250.390 2.036 10 0 CEAEHO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](C)NC)c1 ZINC000054074274 362509023 /nfs/dbraw/zinc/50/90/23/362509023.db2.gz LLQFVJRODLPTOH-GFCCVEGCSA-N 1 3 263.385 2.075 10 0 CEAEHO CCC[NH2+][C@H](C)C[C@H](C)N1CCN(CC(C)C)CC1 ZINC000084392173 178880167 /nfs/dbraw/zinc/88/01/67/178880167.db2.gz JDEBNFTVTJRQHW-CVEARBPZSA-N 1 3 269.477 2.427 10 0 CEAEHO c1csc(CC[N@@H+]2CCCN[C@@H](C3CC3)C2)c1 ZINC000085616060 179104227 /nfs/dbraw/zinc/10/42/27/179104227.db2.gz HZSWGOTVNUTHDO-CQSZACIVSA-N 1 3 250.411 2.365 10 0 CEAEHO c1csc(CC[N@H+]2CCCN[C@@H](C3CC3)C2)c1 ZINC000085616060 179104229 /nfs/dbraw/zinc/10/42/29/179104229.db2.gz HZSWGOTVNUTHDO-CQSZACIVSA-N 1 3 250.411 2.365 10 0 CEAEHO C[C@@H]1CC[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CCCO1 ZINC000085623667 179106094 /nfs/dbraw/zinc/10/60/94/179106094.db2.gz YCYSHJBBKDOSIJ-SNPRPXQTSA-N 1 3 252.402 2.018 10 0 CEAEHO C[C@@H]1CCN[C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085623667 179106097 /nfs/dbraw/zinc/10/60/97/179106097.db2.gz YCYSHJBBKDOSIJ-SNPRPXQTSA-N 1 3 252.402 2.018 10 0 CEAEHO C[C@@H]1CCN[C@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085623667 179106098 /nfs/dbraw/zinc/10/60/98/179106098.db2.gz YCYSHJBBKDOSIJ-SNPRPXQTSA-N 1 3 252.402 2.018 10 0 CEAEHO CC[C@H]1CNC2(CCCCC2)C[N@@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182631 179247937 /nfs/dbraw/zinc/24/79/37/179247937.db2.gz ABONIMBPNWFISB-DLBZAZTESA-N 1 3 291.483 2.467 10 0 CEAEHO CC[C@H]1CNC2(CCCCC2)C[N@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182631 179247940 /nfs/dbraw/zinc/24/79/40/179247940.db2.gz ABONIMBPNWFISB-DLBZAZTESA-N 1 3 291.483 2.467 10 0 CEAEHO C[C@@H]1CN[C@@](C)(c2ccccc2)CN1CCC[NH+](C)C ZINC000086217747 179249744 /nfs/dbraw/zinc/24/97/44/179249744.db2.gz KDSDVBJJHMXMNZ-NVXWUHKLSA-N 1 3 275.440 2.147 10 0 CEAEHO C[C@H]1CN[C@H](c2ccccc2)C[N@@H+]1C1CCN(C)CC1 ZINC000086217788 179249813 /nfs/dbraw/zinc/24/98/13/179249813.db2.gz UPWHDWVSAKXAKM-YOEHRIQHSA-N 1 3 273.424 2.116 10 0 CEAEHO C[C@H]1CN[C@H](c2ccccc2)C[N@H+]1C1CCN(C)CC1 ZINC000086217788 179249815 /nfs/dbraw/zinc/24/98/15/179249815.db2.gz UPWHDWVSAKXAKM-YOEHRIQHSA-N 1 3 273.424 2.116 10 0 CEAEHO CC[C@@H]1CNC2(CCCC2)C[N@@H+]1C[C@@H]1CCN(CC)C1 ZINC000086223042 179250677 /nfs/dbraw/zinc/25/06/77/179250677.db2.gz QULBKMIHSUVPOB-HZPDHXFCSA-N 1 3 279.472 2.325 10 0 CEAEHO CC[C@@H]1CNC2(CCCC2)C[N@H+]1C[C@@H]1CCN(CC)C1 ZINC000086223042 179250680 /nfs/dbraw/zinc/25/06/80/179250680.db2.gz QULBKMIHSUVPOB-HZPDHXFCSA-N 1 3 279.472 2.325 10 0 CEAEHO CC[C@H]1CNC2(CCCC2)C[N@@H+]1[C@@H]1CCCN(C)C1 ZINC000086223981 179253098 /nfs/dbraw/zinc/25/30/98/179253098.db2.gz JRVHKGATEFNTHO-LSDHHAIUSA-N 1 3 265.445 2.077 10 0 CEAEHO CC[C@H]1CNC2(CCCC2)C[N@H+]1[C@@H]1CCCN(C)C1 ZINC000086223981 179253099 /nfs/dbraw/zinc/25/30/99/179253099.db2.gz JRVHKGATEFNTHO-LSDHHAIUSA-N 1 3 265.445 2.077 10 0 CEAEHO CC[C@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CCCN(C)C1 ZINC000086223981 179253100 /nfs/dbraw/zinc/25/31/00/179253100.db2.gz JRVHKGATEFNTHO-LSDHHAIUSA-N 1 3 265.445 2.077 10 0 CEAEHO CC[C@H]1CN[C@](C)(CC)C[N@@H+]1C[C@@H]1CCCCN1C ZINC000086259342 179257660 /nfs/dbraw/zinc/25/76/60/179257660.db2.gz RZVUWVANHKMODE-HRCADAONSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@H]1CN[C@](C)(CC)C[N@H+]1C[C@@H]1CCCCN1C ZINC000086259342 179257663 /nfs/dbraw/zinc/25/76/63/179257663.db2.gz RZVUWVANHKMODE-HRCADAONSA-N 1 3 267.461 2.323 10 0 CEAEHO C[C@H]1C[NH2+]C2(CCCCC2)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259614 179258292 /nfs/dbraw/zinc/25/82/92/179258292.db2.gz CBZOVDIZHNXXNF-GOEBONIOSA-N 1 3 277.456 2.220 10 0 CEAEHO CCC[C@@H]1C[N@H+](C[C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086259285 179258627 /nfs/dbraw/zinc/25/86/27/179258627.db2.gz ZJWHCWLBDFMSDY-ZACQAIPSSA-N 1 3 281.488 2.427 10 0 CEAEHO CCC[C@@H]1C[N@@H+](C[C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086259285 179258628 /nfs/dbraw/zinc/25/86/28/179258628.db2.gz ZJWHCWLBDFMSDY-ZACQAIPSSA-N 1 3 281.488 2.427 10 0 CEAEHO COC[C@H](C)[N@@H+]1CCCN[C@H](C2CCCCC2)C1 ZINC000086269641 179261734 /nfs/dbraw/zinc/26/17/34/179261734.db2.gz MWXSBNLVXHMONW-ZFWWWQNUSA-N 1 3 254.418 2.266 10 0 CEAEHO COC[C@H](C)[N@H+]1CCCN[C@H](C2CCCCC2)C1 ZINC000086269641 179261737 /nfs/dbraw/zinc/26/17/37/179261737.db2.gz MWXSBNLVXHMONW-ZFWWWQNUSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[C@@H](C)[C@H]1CN([C@@H]2CCCN(CC)C2)CCC[NH2+]1 ZINC000086289413 179264050 /nfs/dbraw/zinc/26/40/50/179264050.db2.gz JZKGDSOYSJTQFV-BZUAXINKSA-N 1 3 267.461 2.181 10 0 CEAEHO CC(C)N(CCNC1=[NH+]C[C@H](C)CS1)C(C)C ZINC000086632237 179314915 /nfs/dbraw/zinc/31/49/15/179314915.db2.gz RXFLGBLJFFDGJT-LBPRGKRZSA-N 1 3 257.447 2.434 10 0 CEAEHO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H]1CCCN(C)CC1 ZINC000086818579 179346400 /nfs/dbraw/zinc/34/64/00/179346400.db2.gz RPMMBQBEYBWYOU-CABCVRRESA-N 1 3 255.450 2.037 10 0 CEAEHO CN1CCC[C@H]([NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC000086818786 179346992 /nfs/dbraw/zinc/34/69/92/179346992.db2.gz ZTJKYNLKZGXFJB-AWEZNQCLSA-N 1 3 267.461 2.323 10 0 CEAEHO CCN1CCC[C@](CN)([N@H+](CC)CC(C)C)CC1 ZINC000086846858 179357226 /nfs/dbraw/zinc/35/72/26/179357226.db2.gz BAPOBILWFLGWLG-HNNXBMFYSA-N 1 3 255.450 2.168 10 0 CEAEHO CCN1CCC[C@](CN)([N@@H+](CC)CC(C)C)CC1 ZINC000086846858 179357228 /nfs/dbraw/zinc/35/72/28/179357228.db2.gz BAPOBILWFLGWLG-HNNXBMFYSA-N 1 3 255.450 2.168 10 0 CEAEHO CCN1CCC[C@@H]([NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000086839289 179351496 /nfs/dbraw/zinc/35/14/96/179351496.db2.gz RPAHUFVTSYKXKH-UKRRQHHQSA-N 1 3 276.428 2.262 10 0 CEAEHO CCN1CCC[C@@](CN)([N@@H+]2CCCCC[C@@H]2C)CC1 ZINC000086848910 179357691 /nfs/dbraw/zinc/35/76/91/179357691.db2.gz IKXOKGQUUZXQKV-JKSUJKDBSA-N 1 3 267.461 2.454 10 0 CEAEHO CCN1CCC[C@@](CN)([N@H+]2CCCCC[C@@H]2C)CC1 ZINC000086848910 179357694 /nfs/dbraw/zinc/35/76/94/179357694.db2.gz IKXOKGQUUZXQKV-JKSUJKDBSA-N 1 3 267.461 2.454 10 0 CEAEHO COCCN(C1CC1)[C@]1(C[NH3+])CCC[C@@H](C)CC1 ZINC000086891071 179366132 /nfs/dbraw/zinc/36/61/32/179366132.db2.gz JSEJGLDQLUYMCY-UKRRQHHQSA-N 1 3 254.418 2.395 10 0 CEAEHO CC(C)[C@@H]1CCC[C@](C[NH3+])(N(C)CCN(C)C)CC1 ZINC000086948970 179368946 /nfs/dbraw/zinc/36/89/46/179368946.db2.gz CMCSRRUWEWISIO-CVEARBPZSA-N 1 3 269.477 2.414 10 0 CEAEHO CC(C)[C@@H]1CCC[C@](CN)([N@H+](C)CCN(C)C)CC1 ZINC000086948970 179368947 /nfs/dbraw/zinc/36/89/47/179368947.db2.gz CMCSRRUWEWISIO-CVEARBPZSA-N 1 3 269.477 2.414 10 0 CEAEHO CC(C)[C@@H]1CCC[C@](CN)([N@@H+](C)CCN(C)C)CC1 ZINC000086948970 179368949 /nfs/dbraw/zinc/36/89/49/179368949.db2.gz CMCSRRUWEWISIO-CVEARBPZSA-N 1 3 269.477 2.414 10 0 CEAEHO CCC[C@@H](c1ccccc1)N1CCN(C2C[NH2+]C2)CC1 ZINC000090306547 179955113 /nfs/dbraw/zinc/95/51/13/179955113.db2.gz PRFTUBCDKGLNMV-KRWDZBQOSA-N 1 3 273.424 2.117 10 0 CEAEHO CCCN[C@H]1COC[C@@H]1C[NH2+]C1CCCCCC1 ZINC000090566253 180005600 /nfs/dbraw/zinc/00/56/00/180005600.db2.gz HQDCHPXOOOMKEK-ZFWWWQNUSA-N 1 3 254.418 2.313 10 0 CEAEHO CCCN[C@H]1COC[C@@H]1C[NH+]1CCC(C)(C)CC1 ZINC000090566819 180006953 /nfs/dbraw/zinc/00/69/53/180006953.db2.gz YJQKZSJBQXXRKX-KBPBESRZSA-N 1 3 254.418 2.123 10 0 CEAEHO CCC[NH2+][C@H]1COC[C@@H]1CN1CCC(C)(C)CC1 ZINC000090566819 180006958 /nfs/dbraw/zinc/00/69/58/180006958.db2.gz YJQKZSJBQXXRKX-KBPBESRZSA-N 1 3 254.418 2.123 10 0 CEAEHO [NH3+]C1(Cc2cccc(OC(F)(F)F)c2)CCNCC1 ZINC000090587472 180009087 /nfs/dbraw/zinc/00/90/87/180009087.db2.gz NOOCDTAFJMJFLZ-UHFFFAOYSA-N 1 3 274.286 2.209 10 0 CEAEHO NC1(Cc2cccc(OC(F)(F)F)c2)CC[NH2+]CC1 ZINC000090587472 180009090 /nfs/dbraw/zinc/00/90/90/180009090.db2.gz NOOCDTAFJMJFLZ-UHFFFAOYSA-N 1 3 274.286 2.209 10 0 CEAEHO CC(C)CN(CCC[NH3+])C[C@@H]1Cc2ccccc2O1 ZINC000090874017 180050277 /nfs/dbraw/zinc/05/02/77/180050277.db2.gz UJITYALUOVVUGU-HNNXBMFYSA-N 1 3 262.397 2.297 10 0 CEAEHO CC(C)C[N@H+](CCCN)C[C@@H]1Cc2ccccc2O1 ZINC000090874017 180050278 /nfs/dbraw/zinc/05/02/78/180050278.db2.gz UJITYALUOVVUGU-HNNXBMFYSA-N 1 3 262.397 2.297 10 0 CEAEHO CC(C)C[N@@H+](CCCN)C[C@@H]1Cc2ccccc2O1 ZINC000090874017 180050280 /nfs/dbraw/zinc/05/02/80/180050280.db2.gz UJITYALUOVVUGU-HNNXBMFYSA-N 1 3 262.397 2.297 10 0 CEAEHO C[NH2+][C@@H](C)C1CCN(C[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090878934 180052685 /nfs/dbraw/zinc/05/26/85/180052685.db2.gz XFAGXBIRFXFDNF-LRDDRELGSA-N 1 3 292.398 2.449 10 0 CEAEHO CCCC[N@H+](CCN)C[C@H]1Cc2cc(C)ccc2O1 ZINC000090898942 180058166 /nfs/dbraw/zinc/05/81/66/180058166.db2.gz MMQWWVFUZWHMFQ-OAHLLOKOSA-N 1 3 262.397 2.359 10 0 CEAEHO CCCC[N@@H+](CCN)C[C@H]1Cc2cc(C)ccc2O1 ZINC000090898942 180058168 /nfs/dbraw/zinc/05/81/68/180058168.db2.gz MMQWWVFUZWHMFQ-OAHLLOKOSA-N 1 3 262.397 2.359 10 0 CEAEHO CC[C@H](CC[NH3+])N1CCN(C[C@H]2Cc3ccccc32)CC1 ZINC000090975967 180078805 /nfs/dbraw/zinc/07/88/05/180078805.db2.gz UGLSHYSQJFXMSM-IAGOWNOFSA-N 1 3 287.451 2.071 10 0 CEAEHO CCOc1ccc([C@H](N)CN2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091392011 180144821 /nfs/dbraw/zinc/14/48/21/180144821.db2.gz DKQCABSOFJNOQK-DOTOQJQBSA-N 1 3 291.439 2.111 10 0 CEAEHO CCN(CC)[C@](C)(CC)[C@@H](Cc1cnccc1N)[NH2+]C ZINC000091599202 180202671 /nfs/dbraw/zinc/20/26/71/180202671.db2.gz CFMBWRIDKLRAKN-HZPDHXFCSA-N 1 3 278.444 2.305 10 0 CEAEHO CC[NH+](CC)[C@](C)(CC)[C@@H](Cc1cnccc1N)NC ZINC000091599202 180202672 /nfs/dbraw/zinc/20/26/72/180202672.db2.gz CFMBWRIDKLRAKN-HZPDHXFCSA-N 1 3 278.444 2.305 10 0 CEAEHO CC[C@@](C)([C@H]([NH3+])Cc1ccnc(N)c1)N1CCCCC1 ZINC000091609001 180205479 /nfs/dbraw/zinc/20/54/79/180205479.db2.gz BEHQXPMGCVWSFK-ZBFHGGJFSA-N 1 3 276.428 2.188 10 0 CEAEHO CCC(CC)([C@@H]([NH3+])Cc1cc(C)nn1C)N1CCCC1 ZINC000091634893 180210801 /nfs/dbraw/zinc/21/08/01/180210801.db2.gz WNEFSFBYTCCTJB-HNNXBMFYSA-N 1 3 278.444 2.253 10 0 CEAEHO CC[NH+](CC)CC[C@H](N)Cc1cccc(OC)c1 ZINC000091715716 180232259 /nfs/dbraw/zinc/23/22/59/180232259.db2.gz YQWIGWMTZXIOOH-AWEZNQCLSA-N 1 3 250.386 2.297 10 0 CEAEHO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1COc2ccccc21 ZINC000092304415 180359517 /nfs/dbraw/zinc/35/95/17/180359517.db2.gz GCHCDPZVAVKUSS-RLAWYHOSSA-N 1 3 258.365 2.117 10 0 CEAEHO CC(C)[C@H]1CSC(NCC(C)(C)C[NH+](C)C)=N1 ZINC000092402035 180377529 /nfs/dbraw/zinc/37/75/29/180377529.db2.gz NYEIOJHMCPVMHL-LLVKDONJSA-N 1 3 257.447 2.291 10 0 CEAEHO CNCc1cc(OCC[NH+]2CCCC2)c2ccccc2n1 ZINC000109590652 186264880 /nfs/dbraw/zinc/26/48/80/186264880.db2.gz SVQZCNGRHJHNKG-UHFFFAOYSA-N 1 3 285.391 2.429 10 0 CEAEHO CCOC(=O)C1CCN([C@@H]2C[C@@H](CC)CC[C@@H]2C[NH3+])CC1 ZINC000109603657 186266640 /nfs/dbraw/zinc/26/66/40/186266640.db2.gz QZIRGRBBJKETMW-NUEKZKHPSA-N 1 3 296.455 2.415 10 0 CEAEHO CCOC(=O)C1CC[NH+]([C@@H]2C[C@@H](CC)CC[C@@H]2CN)CC1 ZINC000109603657 186266642 /nfs/dbraw/zinc/26/66/42/186266642.db2.gz QZIRGRBBJKETMW-NUEKZKHPSA-N 1 3 296.455 2.415 10 0 CEAEHO COC(=O)C[C@H]1CCCCN1Cc1ccc(F)cc1C[NH3+] ZINC000109604172 186268102 /nfs/dbraw/zinc/26/81/02/186268102.db2.gz XLHQZHYGXRHRDL-OAHLLOKOSA-N 1 3 294.370 2.202 10 0 CEAEHO [NH2+]=C(NC1CCCCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000110368922 186294137 /nfs/dbraw/zinc/29/41/37/186294137.db2.gz NUKFNFIQVFWPMG-HNNXBMFYSA-N 1 3 278.444 2.404 10 0 CEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)CC1CCC(C[NH3+])CC1 ZINC000110618002 186305095 /nfs/dbraw/zinc/30/50/95/186305095.db2.gz UMFMJBUJPFIATR-GPANFISMSA-N 1 3 297.487 2.234 10 0 CEAEHO CN(C1CCN(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000110926706 186333794 /nfs/dbraw/zinc/33/37/94/186333794.db2.gz NRCPGWDGZRRGSE-SFHVURJKSA-N 1 3 287.451 2.335 10 0 CEAEHO Cc1ccc([C@@H](C[NH3+])N2CCN(CC3CC3)CC2)cc1F ZINC000110977441 186338494 /nfs/dbraw/zinc/33/84/94/186338494.db2.gz BEYYEFOUKQCAEL-QGZVFWFLSA-N 1 3 291.414 2.162 10 0 CEAEHO Cc1ccccc1[C@@H](C[NH3+])N1CCN(C)C(C)(C)C1 ZINC000110705309 186314059 /nfs/dbraw/zinc/31/40/59/186314059.db2.gz MMCBYUBNAVGVIC-OAHLLOKOSA-N 1 3 261.413 2.021 10 0 CEAEHO CC[C@@H]1CN([C@@H](C[NH3+])c2cc(C)ccc2C)CCN1C ZINC000110709867 186315326 /nfs/dbraw/zinc/31/53/26/186315326.db2.gz IJYUJRQINISYNR-WBVHZDCISA-N 1 3 275.440 2.329 10 0 CEAEHO CC[NH2+][C@@H]1c2ccccc2C[C@H]1N1CCN(C)C(C)(C)C1 ZINC000110716617 186315706 /nfs/dbraw/zinc/31/57/06/186315706.db2.gz GIUHMODRFGMGJH-IAGOWNOFSA-N 1 3 287.451 2.288 10 0 CEAEHO Cc1ccc([C@H]([NH3+])CCN2CCN(C)C(C)(C)C2)cc1 ZINC000110747048 186319883 /nfs/dbraw/zinc/31/98/83/186319883.db2.gz KNESKASYTCIJDM-MRXNPFEDSA-N 1 3 275.440 2.411 10 0 CEAEHO CC[C@@H]1CN(CCC[NH2+]C2CCCCC2)CCN1C ZINC000110757045 186320363 /nfs/dbraw/zinc/32/03/63/186320363.db2.gz JWGNYCBBUVYOCB-MRXNPFEDSA-N 1 3 267.461 2.325 10 0 CEAEHO CC[NH2+]C[C@H](c1ccccc1)N1CCN(C)C(C)(C)C1 ZINC000110755494 186321278 /nfs/dbraw/zinc/32/12/78/186321278.db2.gz FVXGOMYLQKNNEF-MRXNPFEDSA-N 1 3 275.440 2.363 10 0 CEAEHO C[NH2+]C[C@]1(CN(CCC(C)C)C2CC2)CCOC1 ZINC000111022625 186344898 /nfs/dbraw/zinc/34/48/98/186344898.db2.gz KKVYMNUIYIUOEB-HNNXBMFYSA-N 1 3 254.418 2.123 10 0 CEAEHO CNC[C@]1(C[N@H+](CCC(C)C)C2CC2)CCOC1 ZINC000111022625 186344900 /nfs/dbraw/zinc/34/49/00/186344900.db2.gz KKVYMNUIYIUOEB-HNNXBMFYSA-N 1 3 254.418 2.123 10 0 CEAEHO CNC[C@]1(C[N@@H+](CCC(C)C)C2CC2)CCOC1 ZINC000111022625 186344901 /nfs/dbraw/zinc/34/49/01/186344901.db2.gz KKVYMNUIYIUOEB-HNNXBMFYSA-N 1 3 254.418 2.123 10 0 CEAEHO C[NH+](C)CC1CCN([C@@H](CN)c2cccc(F)c2F)CC1 ZINC000111039670 186347126 /nfs/dbraw/zinc/34/71/26/186347126.db2.gz DCAWAZKCMLPOMX-HNNXBMFYSA-N 1 3 297.393 2.238 10 0 CEAEHO CCC[NH2+][C@@H](C)c1cnc(N(C)CCN(C)C)s1 ZINC000111151335 186361291 /nfs/dbraw/zinc/36/12/91/186361291.db2.gz FUZCESHNHDZASS-NSHDSACASA-N 1 3 270.446 2.202 10 0 CEAEHO CN(CCC[NH+](C)C)[C@@H](CN)c1c(F)cccc1Cl ZINC000111133475 186356796 /nfs/dbraw/zinc/35/67/96/186356796.db2.gz LELVVWCVNKCXHH-ZDUSSCGKSA-N 1 3 287.810 2.362 10 0 CEAEHO CC[NH2+][C@H]1c2ccccc2CC[C@H]1N(C)CCN(C)C ZINC000111134507 186356981 /nfs/dbraw/zinc/35/69/81/186356981.db2.gz RNGJPBLVQMJOPI-SJORKVTESA-N 1 3 275.440 2.145 10 0 CEAEHO CC[NH2+][C@H](c1ccccc1)[C@H](C)N(C)CCN(C)C ZINC000111135476 186357174 /nfs/dbraw/zinc/35/71/74/186357174.db2.gz DLQIBUCPECAJGO-HOCLYGCPSA-N 1 3 263.429 2.219 10 0 CEAEHO CCC[NH2+][C@H](CN(C)CCN(C)C)c1cccc(OC)c1 ZINC000111134810 186357312 /nfs/dbraw/zinc/35/73/12/186357312.db2.gz UHGUSNOSZHAZGV-QGZVFWFLSA-N 1 3 293.455 2.229 10 0 CEAEHO CC(C)[NH2+]Cc1cccc(CN(C)CCN(C)C)c1 ZINC000111149564 186359414 /nfs/dbraw/zinc/35/94/14/186359414.db2.gz PGFXEJKAKSJUSW-UHFFFAOYSA-N 1 3 263.429 2.178 10 0 CEAEHO CCCCN(C[C@@]1(C[NH2+]C)CCCOC1)C1CC1 ZINC000111326636 186399103 /nfs/dbraw/zinc/39/91/03/186399103.db2.gz JTSHURCSODDBGY-HNNXBMFYSA-N 1 3 254.418 2.267 10 0 CEAEHO CCCC[N@H+](C[C@@]1(CNC)CCCOC1)C1CC1 ZINC000111326636 186399104 /nfs/dbraw/zinc/39/91/04/186399104.db2.gz JTSHURCSODDBGY-HNNXBMFYSA-N 1 3 254.418 2.267 10 0 CEAEHO CCCC[N@@H+](C[C@@]1(CNC)CCCOC1)C1CC1 ZINC000111326636 186399106 /nfs/dbraw/zinc/39/91/06/186399106.db2.gz JTSHURCSODDBGY-HNNXBMFYSA-N 1 3 254.418 2.267 10 0 CEAEHO N[C@@H](CCC[NH3+])c1c(F)ccc(Br)c1F ZINC000575440383 366288689 /nfs/dbraw/zinc/28/86/89/366288689.db2.gz RSOKQZJWRPRJRP-QMMMGPOBSA-N 1 3 279.128 2.466 10 0 CEAEHO C[C@H](N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000570832313 299280607 /nfs/dbraw/zinc/28/06/07/299280607.db2.gz HVRQGHJISCIEMC-JQHSSLGASA-N 1 3 287.451 2.239 10 0 CEAEHO C[C@H](NCCCN(C)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400759709 299291413 /nfs/dbraw/zinc/29/14/13/299291413.db2.gz XWIDIQQLIOTCST-GJZGRUSLSA-N 1 3 261.413 2.101 10 0 CEAEHO CC(C)C[C@H](CN(C)C)NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000251435988 371402030 /nfs/dbraw/zinc/40/20/30/371402030.db2.gz UDKCYTSWLQESGS-HRCADAONSA-N 1 3 297.487 2.105 10 0 CEAEHO CCSCCN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261601403 371672682 /nfs/dbraw/zinc/67/26/82/371672682.db2.gz AKIDYWWFRHRCPL-CABCVRRESA-N 1 3 264.438 2.414 10 0 CEAEHO CCSCC[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261601403 371672689 /nfs/dbraw/zinc/67/26/89/371672689.db2.gz AKIDYWWFRHRCPL-CABCVRRESA-N 1 3 264.438 2.414 10 0 CEAEHO CCSCC[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261601403 371672696 /nfs/dbraw/zinc/67/26/96/371672696.db2.gz AKIDYWWFRHRCPL-CABCVRRESA-N 1 3 264.438 2.414 10 0 CEAEHO COc1cc(C)c(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000261607353 371675801 /nfs/dbraw/zinc/67/58/01/371675801.db2.gz DCKGPSZENLFASX-CFVMTHIKSA-N 1 3 290.407 2.181 10 0 CEAEHO Cc1cccc(NC[C@@H]2CCN(C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000261705468 371706311 /nfs/dbraw/zinc/70/63/11/371706311.db2.gz CXCABVWRVHHJQO-DOTOQJQBSA-N 1 3 288.439 2.123 10 0 CEAEHO COc1ccc([C@H](C)CN2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261783740 371730402 /nfs/dbraw/zinc/73/04/02/371730402.db2.gz UGMMBQSLIHJZNY-CZUORRHYSA-N 1 3 262.397 2.469 10 0 CEAEHO CCc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000380177755 375160515 /nfs/dbraw/zinc/16/05/15/375160515.db2.gz ODQYIZCGMBJVNX-ZLKJLUDKSA-N 1 3 250.411 2.480 10 0 CEAEHO CC(C)C[NH2+]CC1(CN(C)CC(C)(C)O)CCCC1 ZINC000092983234 184640196 /nfs/dbraw/zinc/64/01/96/184640196.db2.gz PMYXFSNHGOMKDJ-UHFFFAOYSA-N 1 3 270.461 2.495 10 0 CEAEHO CCC[NH2+][C@H]1CC[C@H](N2CCN(CC(C)C)CC2)C1 ZINC000093797582 184722400 /nfs/dbraw/zinc/72/24/00/184722400.db2.gz NAFQDUXLXZIFJG-HOTGVXAUSA-N 1 3 267.461 2.181 10 0 CEAEHO CCN(CC)[C@H](CN[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000094074111 184753774 /nfs/dbraw/zinc/75/37/74/184753774.db2.gz WNUPTKPQWWHFRK-JKSUJKDBSA-N 1 3 261.413 2.021 10 0 CEAEHO CCC[NH2+]Cc1cccc(N2CCN3CCCC[C@@H]3C2)n1 ZINC000094443204 135088757 /nfs/dbraw/zinc/08/87/57/135088757.db2.gz VMPXBKXLVRFJJV-MRXNPFEDSA-N 1 3 288.439 2.256 10 0 CEAEHO CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CNC[C@H]2O)CC1 ZINC000263209058 154034080 /nfs/dbraw/zinc/03/40/80/154034080.db2.gz KBDHEIIQLWDSMS-APIJFGDWSA-N 1 3 268.445 2.151 10 0 CEAEHO CC(C)(C)[C@@H]1CCC[C@H](NC[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263209058 154034083 /nfs/dbraw/zinc/03/40/83/154034083.db2.gz KBDHEIIQLWDSMS-APIJFGDWSA-N 1 3 268.445 2.151 10 0 CEAEHO C[C@@H](O)C[C@@H]1CCCCN1CCC[NH+]1CCCC1 ZINC000123821110 287101950 /nfs/dbraw/zinc/10/19/50/287101950.db2.gz SMBYAGABOUNUMB-CABCVRRESA-N 1 3 254.418 2.098 10 0 CEAEHO Cc1ccc(OC[C@@H](CC[NH3+])N2CCCC2)c(C)c1 ZINC000020402075 171182679 /nfs/dbraw/zinc/18/26/79/171182679.db2.gz OTQHNOAFPFZANW-OAHLLOKOSA-N 1 3 262.397 2.495 10 0 CEAEHO C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)N1C[C@H](C)C[C@H](C)C1 ZINC000022221104 171377576 /nfs/dbraw/zinc/37/75/76/171377576.db2.gz VUZQHEHNAGRSRB-MJBXVCDLSA-N 1 3 289.423 2.450 10 0 CEAEHO CC(C)C[C@H](C[NH2+][C@H](C)[C@@H]1CCCN(C)C1)N(C)C ZINC000037221708 173041975 /nfs/dbraw/zinc/04/19/75/173041975.db2.gz XAWYRTURERWXRS-BZUAXINKSA-N 1 3 269.477 2.283 10 0 CEAEHO COc1ccc(CC[C@](C)(C[NH3+])N2CCCC2)cc1 ZINC000037497413 173236626 /nfs/dbraw/zinc/23/66/26/173236626.db2.gz JYVQHAMSZSBVFC-MRXNPFEDSA-N 1 3 262.397 2.441 10 0 CEAEHO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N(C)C1CCN(C)CC1 ZINC000043815311 175112549 /nfs/dbraw/zinc/11/25/49/175112549.db2.gz DATJXMPSLQQYBN-KBMXLJTQSA-N 1 3 267.461 2.179 10 0 CEAEHO CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CCCN(C)CC1 ZINC000043818517 175113040 /nfs/dbraw/zinc/11/30/40/175113040.db2.gz VNROVPZVNPUKOT-JYJNAYRXSA-N 1 3 267.461 2.181 10 0 CEAEHO CC(C)CCOCCN1CC[C@H](C)[NH2+]C[C@@H](C)C1 ZINC000045109372 175309371 /nfs/dbraw/zinc/30/93/71/175309371.db2.gz CHXITXMEDYLILC-CABCVRRESA-N 1 3 256.434 2.369 10 0 CEAEHO CC[N@H+](CCCC[C@@](C)(N)C(N)=O)C1CCCCC1 ZINC000045372306 175364937 /nfs/dbraw/zinc/36/49/37/175364937.db2.gz PTTVTDKNHCNETF-OAHLLOKOSA-N 1 3 269.433 2.014 10 0 CEAEHO CC[N@@H+](CCCC[C@@](C)(N)C(N)=O)C1CCCCC1 ZINC000045372306 175364938 /nfs/dbraw/zinc/36/49/38/175364938.db2.gz PTTVTDKNHCNETF-OAHLLOKOSA-N 1 3 269.433 2.014 10 0 CEAEHO CC[C@H]1CN(C[C@@H](C)C[NH2+]C(C)(C)C)CCN1C ZINC000070942716 176015688 /nfs/dbraw/zinc/01/56/88/176015688.db2.gz SKUSJUOJWUTEIH-KBPBESRZSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[C@@H]([C@H](O)c1ccccc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190585 176066900 /nfs/dbraw/zinc/06/69/00/176066900.db2.gz FLUJEAHBDVTLQY-HYVNUMGLSA-N 1 3 276.424 2.382 10 0 CEAEHO CC[C@@H]([C@H](O)c1ccccc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190585 176066902 /nfs/dbraw/zinc/06/69/02/176066902.db2.gz FLUJEAHBDVTLQY-HYVNUMGLSA-N 1 3 276.424 2.382 10 0 CEAEHO Cc1ccc(C)c([C@H](O)C[N@@H+](C)C[C@@H]2CCN(C)C2)c1 ZINC000071190679 176067920 /nfs/dbraw/zinc/06/79/20/176067920.db2.gz SHSXWRGXQXKVFW-NVXWUHKLSA-N 1 3 276.424 2.220 10 0 CEAEHO Cc1ccc(C)c([C@H](O)C[N@H+](C)C[C@@H]2CCN(C)C2)c1 ZINC000071190679 176067921 /nfs/dbraw/zinc/06/79/21/176067921.db2.gz SHSXWRGXQXKVFW-NVXWUHKLSA-N 1 3 276.424 2.220 10 0 CEAEHO CCOC(=O)CCCCC[NH2+]CCCN(CC)CC ZINC000071293098 176111290 /nfs/dbraw/zinc/11/12/90/176111290.db2.gz FUIKRTAWQVLOJQ-UHFFFAOYSA-N 1 3 272.433 2.431 10 0 CEAEHO CCOC(=O)CCCCC[NH2+]C[C@H](C)CN1CCCC1 ZINC000071297372 176112602 /nfs/dbraw/zinc/11/26/02/176112602.db2.gz RVOTYHBIIBWUOX-HNNXBMFYSA-N 1 3 284.444 2.431 10 0 CEAEHO CCCN([C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000071314815 176121042 /nfs/dbraw/zinc/12/10/42/176121042.db2.gz FYXGRBLLEUGRFW-ZWKOTPCHSA-N 1 3 287.451 2.335 10 0 CEAEHO C[C@@H](CN[C@H]1CCC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000390609539 262226967 /nfs/dbraw/zinc/22/69/67/262226967.db2.gz ZDWWJVAYJFOJAR-RDJZCZTQSA-N 1 3 275.440 2.239 10 0 CEAEHO C[C@@H](NCC1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423098043 270834982 /nfs/dbraw/zinc/83/49/82/270834982.db2.gz JUMWREJQLZLYJX-BHPKHCPMSA-N 1 3 254.418 2.310 10 0 CEAEHO CC(C)C[C@H](CN(C)C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127947375 279133697 /nfs/dbraw/zinc/13/36/97/279133697.db2.gz SCRXJASFXNLERZ-BZUAXINKSA-N 1 3 267.461 2.179 10 0 CEAEHO CC(C)C[C@H](CN(C)C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127947375 279133698 /nfs/dbraw/zinc/13/36/98/279133698.db2.gz SCRXJASFXNLERZ-BZUAXINKSA-N 1 3 267.461 2.179 10 0 CEAEHO CCC[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N(C)C ZINC000128359755 279885881 /nfs/dbraw/zinc/88/58/81/279885881.db2.gz AJYBUAPKLGVKLG-ZDUSSCGKSA-N 1 3 283.460 2.142 10 0 CEAEHO CCC[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)N(C)C ZINC000136099015 280058019 /nfs/dbraw/zinc/05/80/19/280058019.db2.gz YILRSVIEIFJHRT-HOTGVXAUSA-N 1 3 297.487 2.345 10 0 CEAEHO CCC[C@@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)N(C)C ZINC000136099015 280058023 /nfs/dbraw/zinc/05/80/23/280058023.db2.gz YILRSVIEIFJHRT-HOTGVXAUSA-N 1 3 297.487 2.345 10 0 CEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)C1 ZINC000246505807 280297956 /nfs/dbraw/zinc/29/79/56/280297956.db2.gz SIXCDIGAVJWVGN-OWYFMNJBSA-N 1 3 295.471 2.093 10 0 CEAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)C1 ZINC000246505807 280297959 /nfs/dbraw/zinc/29/79/59/280297959.db2.gz SIXCDIGAVJWVGN-OWYFMNJBSA-N 1 3 295.471 2.093 10 0 CEAEHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000235469380 298877038 /nfs/dbraw/zinc/87/70/38/298877038.db2.gz OIBZVSWFKCSCJN-SLBVQIDZSA-N 1 3 266.429 2.454 10 0 CEAEHO C[C@H]([NH2+]CCCc1nccs1)[C@H]1CCCNC1 ZINC000576146997 314246946 /nfs/dbraw/zinc/24/69/46/314246946.db2.gz VJVKJAGUJLSUOR-RYUDHWBXSA-N 1 3 253.415 2.053 10 0 CEAEHO C[C@H](NCCCc1nccs1)[C@H]1CCC[NH2+]C1 ZINC000576146997 314246949 /nfs/dbraw/zinc/24/69/49/314246949.db2.gz VJVKJAGUJLSUOR-RYUDHWBXSA-N 1 3 253.415 2.053 10 0 CEAEHO CCC[NH2+]CC1(CN2CCCCC2)CCOCC1 ZINC000052180891 519909372 /nfs/dbraw/zinc/90/93/72/519909372.db2.gz SQIVEWBSIOPIAH-UHFFFAOYSA-N 1 3 254.418 2.269 10 0 CEAEHO CCC[NH2+]CC1(CN(C)[C@H]2CCSC2)CCOCC1 ZINC000052181488 519910318 /nfs/dbraw/zinc/91/03/18/519910318.db2.gz CBQMUVYIPVBJNQ-AWEZNQCLSA-N 1 3 286.485 2.220 10 0 CEAEHO CCC[NH2+]C[C@H](C(C)C)N(C)C1CCN(C)CC1 ZINC000052419748 519928577 /nfs/dbraw/zinc/92/85/77/519928577.db2.gz GBAVTLNEQVOXMV-OAHLLOKOSA-N 1 3 255.450 2.037 10 0 CEAEHO CCCc1nc(N(C)[C@@H]2CCCN(C)C2)sc1C[NH3+] ZINC000054998279 521529262 /nfs/dbraw/zinc/52/92/62/521529262.db2.gz UXAKHKBJBGITDQ-LLVKDONJSA-N 1 3 282.457 2.085 10 0 CEAEHO CC[C@@H](C)N1CCN(Cc2ccc(C[NH3+])cc2)CC1 ZINC000055064208 522126975 /nfs/dbraw/zinc/12/69/75/522126975.db2.gz OHMHGBGELJPVHO-CQSZACIVSA-N 1 3 261.413 2.061 10 0 CEAEHO CC[C@@H](C[NH2+]C(C)(C)C)N(C)C1CCN(C)CC1 ZINC000052419788 522542601 /nfs/dbraw/zinc/54/26/01/522542601.db2.gz DEEDGRNNXWBUNV-ZDUSSCGKSA-N 1 3 255.450 2.179 10 0 CEAEHO C(C[C@@H]1CCC[NH2+]1)CN1CCN(C2CCCC2)CC1 ZINC000052764754 518396638 /nfs/dbraw/zinc/39/66/38/518396638.db2.gz YOUQSDZPVBBJDI-HNNXBMFYSA-N 1 3 265.445 2.079 10 0 CEAEHO CC(C)(C)N1CCN(CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050953239 518711571 /nfs/dbraw/zinc/71/15/71/518711571.db2.gz QRSIBPDITVYRCX-HNNXBMFYSA-N 1 3 267.461 2.325 10 0 CEAEHO CC(C)CN1CCN(CC[C@@H]([NH3+])c2ccccc2F)CC1 ZINC000055082207 519726032 /nfs/dbraw/zinc/72/60/32/519726032.db2.gz ODDXRJLGZNTXEZ-QGZVFWFLSA-N 1 3 293.430 2.489 10 0 CEAEHO CC(C)CN1CCN(C[C@@H]2C[C@@H](C)CC[C@@H]2[NH3+])CC1 ZINC000055081876 519726485 /nfs/dbraw/zinc/72/64/85/519726485.db2.gz CWAUJXLFEYSMTG-JYJNAYRXSA-N 1 3 267.461 2.024 10 0 CEAEHO CC(C)CN1CCN(C[C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000055082041 519726724 /nfs/dbraw/zinc/72/67/24/519726724.db2.gz WQUIQYQWVNDHNP-JKSUJKDBSA-N 1 3 267.461 2.168 10 0 CEAEHO CC(C)CN1CCN([C@@H](c2cccc(F)c2)[C@H](C)[NH3+])CC1 ZINC000055077456 519727497 /nfs/dbraw/zinc/72/74/97/519727497.db2.gz FDKDVAVUUFTICK-WMLDXEAASA-N 1 3 293.430 2.488 10 0 CEAEHO CC(C)CN1CCN([C@H](c2cccc(F)c2)[C@@H](C)[NH3+])CC1 ZINC000055077452 519727907 /nfs/dbraw/zinc/72/79/07/519727907.db2.gz FDKDVAVUUFTICK-PBHICJAKSA-N 1 3 293.430 2.488 10 0 CEAEHO CC(C)CN1CCN([C@@]2(C[NH3+])CCC[C@@H](C)C2)CC1 ZINC000055078405 519728158 /nfs/dbraw/zinc/72/81/58/519728158.db2.gz SONIWCVVCDRQQN-CVEARBPZSA-N 1 3 267.461 2.168 10 0 CEAEHO CC(C)CN1CCN([C@H](c2ccsc2)[C@H](C)[NH3+])CC1 ZINC000055077324 519728402 /nfs/dbraw/zinc/72/84/02/519728402.db2.gz JYHDYSIWXXGGEG-ZFWWWQNUSA-N 1 3 281.469 2.410 10 0 CEAEHO CCC[NH+]1CCC(NC2=NC(C)(C)CS2)CC1 ZINC000049559142 519846435 /nfs/dbraw/zinc/84/64/35/519846435.db2.gz HCLYNDJQQSMSGT-UHFFFAOYSA-N 1 3 255.431 2.332 10 0 CEAEHO CCC1CCC(CN)([N@@H+]2CCC[C@@H]2CN(C)C)CC1 ZINC000061642995 519850505 /nfs/dbraw/zinc/85/05/05/519850505.db2.gz JMVMVFMYSJCPKK-HWOWSKLDSA-N 1 3 267.461 2.310 10 0 CEAEHO CCC1CCC(CN)([N@H+]2CCC[C@@H]2CN(C)C)CC1 ZINC000061642995 519850506 /nfs/dbraw/zinc/85/05/06/519850506.db2.gz JMVMVFMYSJCPKK-HWOWSKLDSA-N 1 3 267.461 2.310 10 0 CEAEHO CCCN1CCN([C@@H](C[NH3+])c2ccc(OC)c(C)c2)CC1 ZINC000050596473 519859468 /nfs/dbraw/zinc/85/94/68/519859468.db2.gz ISRZSSSYSCXRCK-INIZCTEOSA-N 1 3 291.439 2.031 10 0 CEAEHO CC[NH2+]CCC[C@@H](C)N1CCN(c2nccs2)CC1 ZINC000052417685 519920145 /nfs/dbraw/zinc/92/01/45/519920145.db2.gz HCWVXQMHYJWZNV-CYBMUJFWSA-N 1 3 282.457 2.043 10 0 CEAEHO CC[NH2+]C[C@@H](C)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000061702362 519944123 /nfs/dbraw/zinc/94/41/23/519944123.db2.gz OHPLHADTFMHFRM-ZBFHGGJFSA-N 1 3 262.397 2.276 10 0 CEAEHO CC[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2cccc(F)c2)O1 ZINC000052425385 519977242 /nfs/dbraw/zinc/97/72/42/519977242.db2.gz OMNZAJZTTSXCEZ-CVEARBPZSA-N 1 3 280.387 2.415 10 0 CEAEHO CCC[NH2+][C@@H](CN(CCC)CCN(C)C)C1CC1 ZINC000069074696 520008276 /nfs/dbraw/zinc/00/82/76/520008276.db2.gz TVVUFOBCEYKAJV-HNNXBMFYSA-N 1 3 255.450 2.038 10 0 CEAEHO CCC[NH2+][C@@H](CN(CCN(C)C)CC(C)C)C1CC1 ZINC000069074585 520009616 /nfs/dbraw/zinc/00/96/16/520009616.db2.gz NTZGEPFKLPCGBB-INIZCTEOSA-N 1 3 269.477 2.284 10 0 CEAEHO CC[NH2+]Cc1oc2ccccc2c1CN1CCN(C)CC1 ZINC000052379335 520030651 /nfs/dbraw/zinc/03/06/51/520030651.db2.gz UZWQEWFHLWAYJN-UHFFFAOYSA-N 1 3 287.407 2.290 10 0 CEAEHO CC[NH2+][C@@H]1CCCc2nc(N3CCCN(C)CC3)sc21 ZINC000054899115 520119335 /nfs/dbraw/zinc/11/93/35/520119335.db2.gz DNPXSBPBTRETPK-GFCCVEGCSA-N 1 3 294.468 2.272 10 0 CEAEHO CCC[C@@H]1C[N@H+](CCn2ccnc2C)[C@H](C2CC2)CN1 ZINC000068701056 520839222 /nfs/dbraw/zinc/83/92/22/520839222.db2.gz WAMQTHIJICYECN-CVEARBPZSA-N 1 3 276.428 2.044 10 0 CEAEHO CCC[C@@H]1C[N@@H+](CCn2ccnc2C)[C@H](C2CC2)CN1 ZINC000068701056 520839230 /nfs/dbraw/zinc/83/92/30/520839230.db2.gz WAMQTHIJICYECN-CVEARBPZSA-N 1 3 276.428 2.044 10 0 CEAEHO C[NH+](C)CCOc1cc2c(cc1CNC(C)(C)C)OCO2 ZINC000062733866 521797982 /nfs/dbraw/zinc/79/79/82/521797982.db2.gz DRTSZFFFWXPLLF-UHFFFAOYSA-N 1 3 294.395 2.244 10 0 CEAEHO CN(C)CCOc1cc2c(cc1C[NH2+]C(C)(C)C)OCO2 ZINC000062733866 521797994 /nfs/dbraw/zinc/79/79/94/521797994.db2.gz DRTSZFFFWXPLLF-UHFFFAOYSA-N 1 3 294.395 2.244 10 0 CEAEHO C[NH+](C)C[C@@H]1CCCN1Cc1occc1CNC1CC1 ZINC000061654469 521841167 /nfs/dbraw/zinc/84/11/67/521841167.db2.gz QSYGRJXJIKCTON-HNNXBMFYSA-N 1 3 277.412 2.058 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069267074 522132448 /nfs/dbraw/zinc/13/24/48/522132448.db2.gz NSTGGXBEHTYUFT-PBHICJAKSA-N 1 3 273.424 2.247 10 0 CEAEHO CC[C@H](C[NH2+]C(C)(C)C)N1CCN(CC(C)C)CC1 ZINC000055083015 522190141 /nfs/dbraw/zinc/19/01/41/522190141.db2.gz UBBCHSDKWOTZSL-OAHLLOKOSA-N 1 3 269.477 2.427 10 0 CEAEHO C[NH2+][C@@H]1CCCCC[C@@H]1CN1CCN(C(C)C)CC1 ZINC000053867662 522376643 /nfs/dbraw/zinc/37/66/43/522376643.db2.gz QZGNSBQOEKAVMY-HZPDHXFCSA-N 1 3 267.461 2.181 10 0 CEAEHO COC1CCN(C[C@@H]2C[C@@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054559810 522705556 /nfs/dbraw/zinc/70/55/56/522705556.db2.gz IVLUPVDLFRJXSM-DZKIICNBSA-N 1 3 268.445 2.497 10 0 CEAEHO COC1CCN(Cc2occc2C[NH2+]C(C)C)CC1 ZINC000052455190 522707466 /nfs/dbraw/zinc/70/74/66/522707466.db2.gz XIYQAMNLPVSXLK-UHFFFAOYSA-N 1 3 266.385 2.388 10 0 CEAEHO Cn1ccnc1NCCC[N@H+](C)Cc1ccccc1 ZINC000050605673 522772448 /nfs/dbraw/zinc/77/24/48/522772448.db2.gz GEIOELVMMQXVGX-UHFFFAOYSA-N 1 3 258.369 2.354 10 0 CEAEHO Cn1ccnc1NCCC[N@@H+](C)Cc1ccccc1 ZINC000050605673 522772451 /nfs/dbraw/zinc/77/24/51/522772451.db2.gz GEIOELVMMQXVGX-UHFFFAOYSA-N 1 3 258.369 2.354 10 0 CEAEHO Cn1ccnc1NCCC[N@H+](C)C1CCCCC1 ZINC000050606018 522773831 /nfs/dbraw/zinc/77/38/31/522773831.db2.gz CDJUBUQBFMLLGM-UHFFFAOYSA-N 1 3 250.390 2.487 10 0 CEAEHO Cn1ccnc1NCCC[N@@H+](C)C1CCCCC1 ZINC000050606018 522773842 /nfs/dbraw/zinc/77/38/42/522773842.db2.gz CDJUBUQBFMLLGM-UHFFFAOYSA-N 1 3 250.390 2.487 10 0 CEAEHO COCCNCc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000062730461 523952616 /nfs/dbraw/zinc/95/26/16/523952616.db2.gz JIJJINFUIDYBEC-UHFFFAOYSA-N 1 3 286.803 2.016 10 0 CEAEHO C[NH+](C)C1CCN(c2nc(C(C)(C)C)c(CN)s2)CC1 ZINC000054997446 524040858 /nfs/dbraw/zinc/04/08/58/524040858.db2.gz HBCSJSLIRZFKMG-UHFFFAOYSA-N 1 3 296.484 2.430 10 0 CEAEHO C[NH+](C)CCCCn1c(N)nc2ccc(F)c(F)c21 ZINC000053170353 524052809 /nfs/dbraw/zinc/05/28/09/524052809.db2.gz VVHZIFMQBIPILF-UHFFFAOYSA-N 1 3 268.311 2.239 10 0 CEAEHO C[C@H]1CCC[N@H+](CC2(CNC3CC3)CCOCC2)C1 ZINC000052180803 524086500 /nfs/dbraw/zinc/08/65/00/524086500.db2.gz YCVNKYXROCYFKG-AWEZNQCLSA-N 1 3 266.429 2.267 10 0 CEAEHO C[C@H]1CCC[N@@H+](CC2(CNC3CC3)CCOCC2)C1 ZINC000052180803 524086508 /nfs/dbraw/zinc/08/65/08/524086508.db2.gz YCVNKYXROCYFKG-AWEZNQCLSA-N 1 3 266.429 2.267 10 0 CEAEHO C[C@H]1CCCN(CC2(C[NH2+]C3CC3)CCOCC2)C1 ZINC000052180803 524086517 /nfs/dbraw/zinc/08/65/17/524086517.db2.gz YCVNKYXROCYFKG-AWEZNQCLSA-N 1 3 266.429 2.267 10 0 CEAEHO C[C@@H]1CCC[N@@H+]1CC1(CNC2CC2)CCOCC1 ZINC000052180446 524261134 /nfs/dbraw/zinc/26/11/34/524261134.db2.gz BUFUFIPZELCGGK-CYBMUJFWSA-N 1 3 252.402 2.020 10 0 CEAEHO C[C@@H]1CCC[N@H+]1CC1(CNC2CC2)CCOCC1 ZINC000052180446 524261145 /nfs/dbraw/zinc/26/11/45/524261145.db2.gz BUFUFIPZELCGGK-CYBMUJFWSA-N 1 3 252.402 2.020 10 0 CEAEHO C[C@@H](c1cccs1)N(C)CC1(C[NH3+])CCOCC1 ZINC000052182437 526143949 /nfs/dbraw/zinc/14/39/49/526143949.db2.gz QAYAEYDULQHLQH-LBPRGKRZSA-N 1 3 268.426 2.496 10 0 CEAEHO C[C@@H](c1cccs1)[N@H+](C)CC1(CN)CCOCC1 ZINC000052182437 526143958 /nfs/dbraw/zinc/14/39/58/526143958.db2.gz QAYAEYDULQHLQH-LBPRGKRZSA-N 1 3 268.426 2.496 10 0 CEAEHO C[C@@H](c1cccs1)[N@@H+](C)CC1(CN)CCOCC1 ZINC000052182437 526143966 /nfs/dbraw/zinc/14/39/66/526143966.db2.gz QAYAEYDULQHLQH-LBPRGKRZSA-N 1 3 268.426 2.496 10 0 CEAEHO c1csc(CN(CCN2CCC[NH2+]CC2)C2CC2)c1 ZINC000061275367 526579213 /nfs/dbraw/zinc/57/92/13/526579213.db2.gz SYTZDOLTSWTDLE-UHFFFAOYSA-N 1 3 279.453 2.008 10 0 CEAEHO Cc1ncc(CNC[C@]2([NH+](C)C)CCC[C@@H](C)C2)[nH]1 ZINC000054822436 526890016 /nfs/dbraw/zinc/89/00/16/526890016.db2.gz AAMVFKHRCWEBCH-DOMZBBRYSA-N 1 3 264.417 2.318 10 0 CEAEHO Cc1nc2ccccn2c1C[NH2+][C@@H](C)CCN(C)C ZINC000049554055 527179402 /nfs/dbraw/zinc/17/94/02/527179402.db2.gz ZTWXGKBIFHNWRF-LBPRGKRZSA-N 1 3 260.385 2.073 10 0 CEAEHO CC1(C)CC(C)(C)CC2(C1)[NH2+]CCC1(CNC1)O2 ZINC000757144638 574510342 /nfs/dbraw/zinc/51/03/42/574510342.db2.gz GISOTYFVJVCULM-UHFFFAOYSA-N 1 3 252.402 2.271 10 0 CEAEHO C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccc(OC)cc21 ZINC000082509419 178076329 /nfs/dbraw/zinc/07/63/29/178076329.db2.gz BYDJLRRDUCFBIS-AWEZNQCLSA-N 1 3 276.380 2.203 10 0 CEAEHO C[C@@H]1CCC[C@H](c2cncn2CCC[NH+](C)C)N1 ZINC000097010934 185151990 /nfs/dbraw/zinc/15/19/90/185151990.db2.gz GTKMLBMAJBXFBB-CHWSQXEVSA-N 1 3 250.390 2.038 10 0 CEAEHO CCCN1CCN(c2ccc(C[C@@H]([NH3+])CC)cc2)CC1 ZINC000111489701 534933343 /nfs/dbraw/zinc/93/33/43/534933343.db2.gz XZBWVJOVJWRASG-INIZCTEOSA-N 1 3 275.440 2.498 10 0 CEAEHO C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCCNCC1 ZINC000129099263 232211129 /nfs/dbraw/zinc/21/11/29/232211129.db2.gz IWCPYTCGGOWOOG-HIFRSBDPSA-N 1 3 262.397 2.445 10 0 CEAEHO CC(C)N1CCN([C@@]2(C[NH3+])CC[C@H](C)[C@@H](C)C2)CC1 ZINC000084989215 178939840 /nfs/dbraw/zinc/93/98/40/178939840.db2.gz MRVJOGZARNMBRE-JYJNAYRXSA-N 1 3 267.461 2.166 10 0 CEAEHO CC1(C)C[NH2+]C2(CCCCC2)CN1C[C@H]1CCOC1 ZINC000085503537 179084084 /nfs/dbraw/zinc/08/40/84/179084084.db2.gz XTQBLTHHZSKMSN-CQSZACIVSA-N 1 3 266.429 2.410 10 0 CEAEHO CC(C)C[C@H]1C[N@H+](CCCn2ccnc2)[C@@H](C)CCN1 ZINC000085621717 179106143 /nfs/dbraw/zinc/10/61/43/179106143.db2.gz JNAYIITYWVYDIN-HOTGVXAUSA-N 1 3 278.444 2.372 10 0 CEAEHO CC(C)C[C@H]1C[N@@H+](CCCn2ccnc2)[C@@H](C)CCN1 ZINC000085621717 179106144 /nfs/dbraw/zinc/10/61/44/179106144.db2.gz JNAYIITYWVYDIN-HOTGVXAUSA-N 1 3 278.444 2.372 10 0 CEAEHO CC(C)C[C@H]1CN(CCCn2ccnc2)[C@@H](C)CC[NH2+]1 ZINC000085621717 179106147 /nfs/dbraw/zinc/10/61/47/179106147.db2.gz JNAYIITYWVYDIN-HOTGVXAUSA-N 1 3 278.444 2.372 10 0 CEAEHO CCC1(CC)CN(C[C@@H]2CCCO2)[C@@H](C)CC[NH2+]1 ZINC000085627911 179106464 /nfs/dbraw/zinc/10/64/64/179106464.db2.gz RTXSKGZHDVPDBR-KBPBESRZSA-N 1 3 254.418 2.408 10 0 CEAEHO CCC1(CC)C[N@H+](C[C@@H]2CCCO2)[C@@H](C)CCN1 ZINC000085627911 179106465 /nfs/dbraw/zinc/10/64/65/179106465.db2.gz RTXSKGZHDVPDBR-KBPBESRZSA-N 1 3 254.418 2.408 10 0 CEAEHO CCC1(CC)C[N@@H+](C[C@@H]2CCCO2)[C@@H](C)CCN1 ZINC000085627911 179106468 /nfs/dbraw/zinc/10/64/68/179106468.db2.gz RTXSKGZHDVPDBR-KBPBESRZSA-N 1 3 254.418 2.408 10 0 CEAEHO CC[N@@H+]1CC[C@H](CN2C[C@H](c3ccccc3)NC[C@@H]2C)C1 ZINC000086222998 179250839 /nfs/dbraw/zinc/25/08/39/179250839.db2.gz DOKCNJDIGNYMKW-XYJFISCASA-N 1 3 287.451 2.363 10 0 CEAEHO CC[N@H+]1CC[C@H](CN2C[C@H](c3ccccc3)NC[C@@H]2C)C1 ZINC000086222998 179250842 /nfs/dbraw/zinc/25/08/42/179250842.db2.gz DOKCNJDIGNYMKW-XYJFISCASA-N 1 3 287.451 2.363 10 0 CEAEHO CC[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCCN1C ZINC000086259302 179257819 /nfs/dbraw/zinc/25/78/19/179257819.db2.gz CZUCADLXLOOXHZ-ULQDDVLXSA-N 1 3 279.472 2.323 10 0 CEAEHO CC[C@H]1CN[C@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCCN1C ZINC000086259302 179257821 /nfs/dbraw/zinc/25/78/21/179257821.db2.gz CZUCADLXLOOXHZ-ULQDDVLXSA-N 1 3 279.472 2.323 10 0 CEAEHO CCC1(CC)CN([C@@H](C)[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086287124 179264498 /nfs/dbraw/zinc/26/44/98/179264498.db2.gz RXFYWTXRWGXGSR-KBPBESRZSA-N 1 3 254.418 2.408 10 0 CEAEHO CCC1(CC)C[N@@H+]([C@@H](C)[C@@H]2CCCO2)CCCN1 ZINC000086287124 179264499 /nfs/dbraw/zinc/26/44/99/179264499.db2.gz RXFYWTXRWGXGSR-KBPBESRZSA-N 1 3 254.418 2.408 10 0 CEAEHO CCC1(CC)C[N@H+]([C@@H](C)[C@@H]2CCCO2)CCCN1 ZINC000086287124 179264500 /nfs/dbraw/zinc/26/45/00/179264500.db2.gz RXFYWTXRWGXGSR-KBPBESRZSA-N 1 3 254.418 2.408 10 0 CEAEHO CC(C)[C@@H]1CNC(C)(C)C[N@@H+]1CC1CCN(C)CC1 ZINC000086259028 179257256 /nfs/dbraw/zinc/25/72/56/179257256.db2.gz WNIJJWNAYOJPMA-HNNXBMFYSA-N 1 3 267.461 2.037 10 0 CEAEHO CC(C)[C@@H]1CNC(C)(C)C[N@H+]1CC1CCN(C)CC1 ZINC000086259028 179257258 /nfs/dbraw/zinc/25/72/58/179257258.db2.gz WNIJJWNAYOJPMA-HNNXBMFYSA-N 1 3 267.461 2.037 10 0 CEAEHO CN1CCC(C[N@@H+]2CCCN[C@H](c3ccccc3)C2)CC1 ZINC000086291472 179266708 /nfs/dbraw/zinc/26/67/08/179266708.db2.gz DLNQFVHYSHCBRC-SFHVURJKSA-N 1 3 287.451 2.365 10 0 CEAEHO CN1CCC(C[N@H+]2CCCN[C@H](c3ccccc3)C2)CC1 ZINC000086291472 179266710 /nfs/dbraw/zinc/26/67/10/179266710.db2.gz DLNQFVHYSHCBRC-SFHVURJKSA-N 1 3 287.451 2.365 10 0 CEAEHO CCCN1CCC(NC2=[NH+]C[C@H](C)CS2)CC1 ZINC000086632999 179314852 /nfs/dbraw/zinc/31/48/52/179314852.db2.gz DIDZECBQCMOHBU-NSHDSACASA-N 1 3 255.431 2.189 10 0 CEAEHO CCOC(=O)N1CCC([NH2+][C@H]2CCCN(CC)CC2)CC1 ZINC000086835984 179349908 /nfs/dbraw/zinc/34/99/08/179349908.db2.gz VWUSSMCUNBKLDG-AWEZNQCLSA-N 1 3 297.443 2.071 10 0 CEAEHO CCC[N@@H+]1CCC[C@H](NCCC(=O)N(CC)CC)CC1 ZINC000086841081 179353740 /nfs/dbraw/zinc/35/37/40/179353740.db2.gz KKQVITIYEORPTP-HNNXBMFYSA-N 1 3 283.460 2.099 10 0 CEAEHO CCC[N@H+]1CCC[C@H](NCCC(=O)N(CC)CC)CC1 ZINC000086841081 179353743 /nfs/dbraw/zinc/35/37/43/179353743.db2.gz KKQVITIYEORPTP-HNNXBMFYSA-N 1 3 283.460 2.099 10 0 CEAEHO CCCN1CCC[C@H]([NH2+]CCC(=O)N(CC)CC)CC1 ZINC000086841081 179353744 /nfs/dbraw/zinc/35/37/44/179353744.db2.gz KKQVITIYEORPTP-HNNXBMFYSA-N 1 3 283.460 2.099 10 0 CEAEHO CC[C@H]([C@H]([NH2+]C)c1ccccc1)N(C)CCN(C)C ZINC000104202009 185928607 /nfs/dbraw/zinc/92/86/07/185928607.db2.gz PTDNUSUJPCEQBJ-HZPDHXFCSA-N 1 3 263.429 2.219 10 0 CEAEHO CN(CCOC(F)(F)F)Cc1ccccc1C[NH3+] ZINC000089051517 179693899 /nfs/dbraw/zinc/69/38/99/179693899.db2.gz WSSMEFFPDOWLRB-UHFFFAOYSA-N 1 3 262.275 2.114 10 0 CEAEHO CC(C)NCc1cncn1C[C@H](C)C[NH+]1CCCC1 ZINC000090242431 179939188 /nfs/dbraw/zinc/93/91/88/179939188.db2.gz ZXNBDQVCUAQYTK-CQSZACIVSA-N 1 3 264.417 2.113 10 0 CEAEHO CCCN[C@H]1COC[C@@H]1C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000090566057 180005536 /nfs/dbraw/zinc/00/55/36/180005536.db2.gz WEQWSSBVHFYNRC-XGUBFFRZSA-N 1 3 254.418 2.264 10 0 CEAEHO CCCN[C@H]1COC[C@@H]1C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000090566057 180005539 /nfs/dbraw/zinc/00/55/39/180005539.db2.gz WEQWSSBVHFYNRC-XGUBFFRZSA-N 1 3 254.418 2.264 10 0 CEAEHO CCCN[C@H]1COC[C@@H]1C[NH+]1CCC(CC)CC1 ZINC000090566353 180006024 /nfs/dbraw/zinc/00/60/24/180006024.db2.gz YGLXTOZEATYNNC-GJZGRUSLSA-N 1 3 254.418 2.123 10 0 CEAEHO CCC[NH2+][C@H]1COC[C@@H]1CN1CCC(CC)CC1 ZINC000090566353 180006026 /nfs/dbraw/zinc/00/60/26/180006026.db2.gz YGLXTOZEATYNNC-GJZGRUSLSA-N 1 3 254.418 2.123 10 0 CEAEHO C(C[N@@H+]1CCC[C@H]1[C@@H]1CCCNC1)[C@@H]1CCCO1 ZINC000090693899 180026148 /nfs/dbraw/zinc/02/61/48/180026148.db2.gz CWNDHUBMVZOLGA-ILXRZTDVSA-N 1 3 252.402 2.020 10 0 CEAEHO C(C[N@H+]1CCC[C@H]1[C@@H]1CCCNC1)[C@@H]1CCCO1 ZINC000090693899 180026149 /nfs/dbraw/zinc/02/61/49/180026149.db2.gz CWNDHUBMVZOLGA-ILXRZTDVSA-N 1 3 252.402 2.020 10 0 CEAEHO CN(C[C@@H]1Cc2cc(F)ccc2O1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000090894329 180056148 /nfs/dbraw/zinc/05/61/48/180056148.db2.gz WFDQKOZXMISYJA-BYCMXARLSA-N 1 3 278.371 2.188 10 0 CEAEHO CCN(C[C@@H](C)C[NH3+])C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090897000 180056743 /nfs/dbraw/zinc/05/67/43/180056743.db2.gz PGXHDZWAWVJURA-ZFWWWQNUSA-N 1 3 262.397 2.215 10 0 CEAEHO c1csc(C[N@@H+](CC[C@@H]2CNCCO2)C2CC2)c1 ZINC000091313870 180132949 /nfs/dbraw/zinc/13/29/49/180132949.db2.gz JVHSGYQQSQWYGS-CYBMUJFWSA-N 1 3 266.410 2.091 10 0 CEAEHO c1csc(C[N@H+](CC[C@@H]2CNCCO2)C2CC2)c1 ZINC000091313870 180132951 /nfs/dbraw/zinc/13/29/51/180132951.db2.gz JVHSGYQQSQWYGS-CYBMUJFWSA-N 1 3 266.410 2.091 10 0 CEAEHO COc1ccc(C[N@H+](C)CC[C@@H]2CSCCN2)cc1 ZINC000091292073 180123849 /nfs/dbraw/zinc/12/38/49/180123849.db2.gz OSXJVBOHGUSPJK-CQSZACIVSA-N 1 3 280.437 2.222 10 0 CEAEHO COc1ccc(C[N@@H+](C)CC[C@@H]2CSCCN2)cc1 ZINC000091292073 180123850 /nfs/dbraw/zinc/12/38/50/180123850.db2.gz OSXJVBOHGUSPJK-CQSZACIVSA-N 1 3 280.437 2.222 10 0 CEAEHO CN(CC[C@@H]([NH3+])c1ccc(Cl)cc1)CC1CC(O)C1 ZINC000091489219 180168443 /nfs/dbraw/zinc/16/84/43/180168443.db2.gz GXFKBYURZGUCOK-WDIPEOLASA-N 1 3 282.815 2.433 10 0 CEAEHO CN1CCCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 ZINC000624122336 350199873 /nfs/dbraw/zinc/19/98/73/350199873.db2.gz ONUQCDANPQBGFG-LXTVHRRPSA-N 1 3 266.429 2.121 10 0 CEAEHO CCCC[C@](CC)(CN)[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091391718 180144594 /nfs/dbraw/zinc/14/45/94/180144594.db2.gz CLIRMTGKNHJEPG-LSDHHAIUSA-N 1 3 255.450 2.310 10 0 CEAEHO CCCC[C@](CC)(CN)[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091391718 180144596 /nfs/dbraw/zinc/14/45/96/180144596.db2.gz CLIRMTGKNHJEPG-LSDHHAIUSA-N 1 3 255.450 2.310 10 0 CEAEHO Cc1ccc([C@H](N)CN2CCC[C@H]([NH+](C)C)C2)c(C)c1 ZINC000091393385 180145620 /nfs/dbraw/zinc/14/56/20/180145620.db2.gz ALLOXEZOQZDKHS-DOTOQJQBSA-N 1 3 275.440 2.329 10 0 CEAEHO CCC[C@H](CC[NH3+])CCC(=O)N1CCC[C@H](N(C)C)C1 ZINC000091393976 180145746 /nfs/dbraw/zinc/14/57/46/180145746.db2.gz XEMDASKPUORCDC-GJZGRUSLSA-N 1 3 283.460 2.084 10 0 CEAEHO C[C@@H]1CCC[C@@](CN)([N@@H+]2CCC[C@H](N(C)C)C2)CC1 ZINC000091394941 180146351 /nfs/dbraw/zinc/14/63/51/180146351.db2.gz DEAZAYBPLUPANL-OWCLPIDISA-N 1 3 267.461 2.310 10 0 CEAEHO C[C@@H]1CCC[C@@](CN)([N@H+]2CCC[C@H](N(C)C)C2)CC1 ZINC000091394941 180146354 /nfs/dbraw/zinc/14/63/54/180146354.db2.gz DEAZAYBPLUPANL-OWCLPIDISA-N 1 3 267.461 2.310 10 0 CEAEHO [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccccc2CN2CCCC2)C1 ZINC000091548163 180188025 /nfs/dbraw/zinc/18/80/25/180188025.db2.gz PPDDNKFXALDJLH-DZGCQCFKSA-N 1 3 287.407 2.348 10 0 CEAEHO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cccc(CN3CCCC3)c2)C1 ZINC000091548862 180188469 /nfs/dbraw/zinc/18/84/69/180188469.db2.gz CPCBRSSPTQVZBP-CABCVRRESA-N 1 3 287.407 2.348 10 0 CEAEHO CC[NH+](CC)C1([C@@H](NC)[C@H]2CCOC2)CCCC1 ZINC000091639433 180211901 /nfs/dbraw/zinc/21/19/01/180211901.db2.gz UCDKNTKMDDRVSV-KBPBESRZSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[NH+](CC)CC[C@@H](N)Cc1ccc(OC)c(F)c1 ZINC000091715697 180232770 /nfs/dbraw/zinc/23/27/70/180232770.db2.gz NWTIDLAXUOLFDY-CYBMUJFWSA-N 1 3 268.376 2.436 10 0 CEAEHO Cc1cccn2cc(CN(C)C3CCC([NH3+])CC3)nc12 ZINC000091847719 180271122 /nfs/dbraw/zinc/27/11/22/180271122.db2.gz UCHWURWLCIEBEZ-UHFFFAOYSA-N 1 3 272.396 2.344 10 0 CEAEHO CCN1CCC(O)(C2(C[NH3+])CCCCCC2)CC1 ZINC000091906301 180284048 /nfs/dbraw/zinc/28/40/48/180284048.db2.gz FNFUAJWPMCRFDQ-UHFFFAOYSA-N 1 3 254.418 2.133 10 0 CEAEHO C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)N1C[C@H](C)[C@H](C)C1 ZINC000092082180 180319840 /nfs/dbraw/zinc/31/98/40/180319840.db2.gz QFKVSAGJPKTOFJ-XQQFMLRXSA-N 1 3 275.396 2.060 10 0 CEAEHO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1C[C@@H]1COc2ccccc21 ZINC000092304619 180360456 /nfs/dbraw/zinc/36/04/56/180360456.db2.gz BFHCMNWAXHCQMA-UMVBOHGHSA-N 1 3 272.392 2.092 10 0 CEAEHO C[C@H]1CCNCC[N@@H+]1C[C@@H]1Cc2ccccc2S1 ZINC000092273139 180356645 /nfs/dbraw/zinc/35/66/45/180356645.db2.gz IZSROBPADCLCDZ-JSGCOSHPSA-N 1 3 262.422 2.387 10 0 CEAEHO C[C@H]1CCNCC[N@H+]1C[C@@H]1Cc2ccccc2S1 ZINC000092273139 180356646 /nfs/dbraw/zinc/35/66/46/180356646.db2.gz IZSROBPADCLCDZ-JSGCOSHPSA-N 1 3 262.422 2.387 10 0 CEAEHO c1ccc2c(c1)OC[C@@H]2C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000092299777 180358307 /nfs/dbraw/zinc/35/83/07/180358307.db2.gz UGXTXCKWZFAFGA-KBPBESRZSA-N 1 3 272.392 2.237 10 0 CEAEHO c1ccc2c(c1)OC[C@@H]2CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000092299777 180358310 /nfs/dbraw/zinc/35/83/10/180358310.db2.gz UGXTXCKWZFAFGA-KBPBESRZSA-N 1 3 272.392 2.237 10 0 CEAEHO c1ccc2c(c1)OC[C@@H]2CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000092299777 180358312 /nfs/dbraw/zinc/35/83/12/180358312.db2.gz UGXTXCKWZFAFGA-KBPBESRZSA-N 1 3 272.392 2.237 10 0 CEAEHO CSC1(C[NH3+])CCN(C[C@H]2COc3ccccc32)CC1 ZINC000092298946 180358958 /nfs/dbraw/zinc/35/89/58/180358958.db2.gz VWDDZQXPXXFITP-ZDUSSCGKSA-N 1 3 292.448 2.319 10 0 CEAEHO c1ccc2c(c1)OC[C@H]2C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000092299778 180359005 /nfs/dbraw/zinc/35/90/05/180359005.db2.gz UGXTXCKWZFAFGA-ZIAGYGMSSA-N 1 3 272.392 2.237 10 0 CEAEHO c1ccc2c(c1)OC[C@H]2CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000092299778 180359007 /nfs/dbraw/zinc/35/90/07/180359007.db2.gz UGXTXCKWZFAFGA-ZIAGYGMSSA-N 1 3 272.392 2.237 10 0 CEAEHO c1ccc2c(c1)OC[C@H]2CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000092299778 180359010 /nfs/dbraw/zinc/35/90/10/180359010.db2.gz UGXTXCKWZFAFGA-ZIAGYGMSSA-N 1 3 272.392 2.237 10 0 CEAEHO CC[NH+](CC)[C@H]1CCN(Cc2cc(NC)ccn2)C1 ZINC000092419137 180381822 /nfs/dbraw/zinc/38/18/22/180381822.db2.gz ITDFIELJJVZKLM-HNNXBMFYSA-N 1 3 262.401 2.039 10 0 CEAEHO CN(CC[NH+]1CCCC1)c1cc(CN)nc2ccccc21 ZINC000109589610 186264923 /nfs/dbraw/zinc/26/49/23/186264923.db2.gz IPXHXXOVZSEDKS-UHFFFAOYSA-N 1 3 284.407 2.226 10 0 CEAEHO CCCN1CCN(CCC[C@H]([NH3+])c2ccccc2)CC1 ZINC000109412528 186251331 /nfs/dbraw/zinc/25/13/31/186251331.db2.gz SKZZDZIBAMKVLY-KRWDZBQOSA-N 1 3 275.440 2.494 10 0 CEAEHO CC[NH2+][C@H](CC)[C@@H](C)c1nc(CCN(CC)CC)no1 ZINC000110478300 186298848 /nfs/dbraw/zinc/29/88/48/186298848.db2.gz QYRNMAWZGKMQDT-CHWSQXEVSA-N 1 3 282.432 2.446 10 0 CEAEHO COc1cc2c(cc1F)nc(N)n2CC1CC[NH+](C)CC1 ZINC000110629936 186307582 /nfs/dbraw/zinc/30/75/82/186307582.db2.gz JCHXWDVGEBCPBV-UHFFFAOYSA-N 1 3 292.358 2.108 10 0 CEAEHO CC[C@H]1CN([C@@H](C[NH3+])c2ccc(Cl)cc2)CCN1C ZINC000110921116 186332186 /nfs/dbraw/zinc/33/21/86/186332186.db2.gz NDUJKXPUWVBHPM-GJZGRUSLSA-N 1 3 281.831 2.366 10 0 CEAEHO Cc1ccc([C@H](C[NH3+])N2CCN(CC3CC3)CC2)cc1F ZINC000110977444 186339370 /nfs/dbraw/zinc/33/93/70/186339370.db2.gz BEYYEFOUKQCAEL-KRWDZBQOSA-N 1 3 291.414 2.162 10 0 CEAEHO CCCCCC[C@@H](C[NH3+])N1CCN(C)C(C)(C)C1 ZINC000110712110 186315678 /nfs/dbraw/zinc/31/56/78/186315678.db2.gz ZQAGQVNBOOLQBW-AWEZNQCLSA-N 1 3 255.450 2.310 10 0 CEAEHO CCN1CCN([C@@H](C[NH3+])[C@@H](C)c2ccccc2)C[C@@H]1C ZINC000110708768 186316647 /nfs/dbraw/zinc/31/66/47/186316647.db2.gz DJXCGGKPLDWBFX-ZOBUZTSGSA-N 1 3 275.440 2.143 10 0 CEAEHO C[C@H]1CN(CCCCC[NH2+]C(C)(C)C)CCN1C ZINC000110751253 186319833 /nfs/dbraw/zinc/31/98/33/186319833.db2.gz SLROMWUPFONACD-AWEZNQCLSA-N 1 3 255.450 2.181 10 0 CEAEHO CC[NH2+]Cc1cccc(CN2CCN(C)C(C)(C)C2)c1 ZINC000110754976 186319857 /nfs/dbraw/zinc/31/98/57/186319857.db2.gz QEYVNLAEBAEFQZ-UHFFFAOYSA-N 1 3 275.440 2.322 10 0 CEAEHO CC[C@@H]1CN(Cc2ccccc2C[NH2+]C2CC2)CCN1C ZINC000110754523 186320754 /nfs/dbraw/zinc/32/07/54/186320754.db2.gz WIVVWPPNKSPBKP-GOSISDBHSA-N 1 3 287.451 2.465 10 0 CEAEHO CC(C)C[NH2+]C[C@H](C(C)C)N1CCN(C)C(C)(C)C1 ZINC000110755143 186321573 /nfs/dbraw/zinc/32/15/73/186321573.db2.gz GSYFDBFHHSMZNI-OAHLLOKOSA-N 1 3 269.477 2.283 10 0 CEAEHO CCC[NH2+][C@H](C)c1cnc(N(C)CCN(C)C)s1 ZINC000111151338 186360616 /nfs/dbraw/zinc/36/06/16/186360616.db2.gz FUZCESHNHDZASS-LLVKDONJSA-N 1 3 270.446 2.202 10 0 CEAEHO CCOCC[N@H+](CC)[C@@H]1C[C@H](C(C)C)CC[C@@H]1N ZINC000111118974 186355312 /nfs/dbraw/zinc/35/53/12/186355312.db2.gz QZPKIQGFYOLZAJ-QLFBSQMISA-N 1 3 256.434 2.497 10 0 CEAEHO CCOCC[N@@H+](CC)[C@@H]1C[C@H](C(C)C)CC[C@@H]1N ZINC000111118974 186355314 /nfs/dbraw/zinc/35/53/14/186355314.db2.gz QZPKIQGFYOLZAJ-QLFBSQMISA-N 1 3 256.434 2.497 10 0 CEAEHO C[C@H]([NH3+])[C@H](c1ccccc1Cl)N(C)CCN(C)C ZINC000111129943 186356518 /nfs/dbraw/zinc/35/65/18/186356518.db2.gz IFFKVGGDCKFPPW-SMDDNHRTSA-N 1 3 269.820 2.222 10 0 CEAEHO CC[NH2+][C@@H](c1ccccc1)[C@H](C)N(C)CCN(C)C ZINC000111135475 186357032 /nfs/dbraw/zinc/35/70/32/186357032.db2.gz DLQIBUCPECAJGO-GOEBONIOSA-N 1 3 263.429 2.219 10 0 CEAEHO CCC[NH2+]Cc1cccc(OCCN(C)CCN(C)C)c1 ZINC000111149590 186358295 /nfs/dbraw/zinc/35/82/95/186358295.db2.gz UPGPQKIGIHYUKA-UHFFFAOYSA-N 1 3 293.455 2.058 10 0 CEAEHO CC[NH2+]C[C@@](C)(CC)CN(C)C[C@@H]1CCCOC1 ZINC000111171833 186365530 /nfs/dbraw/zinc/36/55/30/186365530.db2.gz BPLFTLKUINCFSD-LSDHHAIUSA-N 1 3 256.434 2.371 10 0 CEAEHO CCNC[C@@](C)(CC)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111171833 186365532 /nfs/dbraw/zinc/36/55/32/186365532.db2.gz BPLFTLKUINCFSD-LSDHHAIUSA-N 1 3 256.434 2.371 10 0 CEAEHO CCNC[C@@](C)(CC)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111171833 186365533 /nfs/dbraw/zinc/36/55/33/186365533.db2.gz BPLFTLKUINCFSD-LSDHHAIUSA-N 1 3 256.434 2.371 10 0 CEAEHO CC[NH2+]C[C@]1(CN(C)CC2CCC2)CCCOC1 ZINC000111328937 186399644 /nfs/dbraw/zinc/39/96/44/186399644.db2.gz JNXVOMHDJYNLSD-HNNXBMFYSA-N 1 3 254.418 2.125 10 0 CEAEHO CCNC[C@]1(C[N@H+](C)CC2CCC2)CCCOC1 ZINC000111328937 186399646 /nfs/dbraw/zinc/39/96/46/186399646.db2.gz JNXVOMHDJYNLSD-HNNXBMFYSA-N 1 3 254.418 2.125 10 0 CEAEHO CCNC[C@]1(C[N@@H+](C)CC2CCC2)CCCOC1 ZINC000111328937 186399648 /nfs/dbraw/zinc/39/96/48/186399648.db2.gz JNXVOMHDJYNLSD-HNNXBMFYSA-N 1 3 254.418 2.125 10 0 CEAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1CN1CCCC1 ZINC000111267030 186383445 /nfs/dbraw/zinc/38/34/45/186383445.db2.gz OLZVKNVVVJHJRY-UKRRQHHQSA-N 1 3 287.407 2.076 10 0 CEAEHO C[C@@H]([NH3+])Cc1cc(F)c(N(C)CCN2CCCC2)c(F)c1 ZINC000111499785 186424865 /nfs/dbraw/zinc/42/48/65/186424865.db2.gz BMTSBNZHYNAASB-GFCCVEGCSA-N 1 3 297.393 2.387 10 0 CEAEHO C[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]C1)Oc1ccccc1 ZINC000569957918 299229593 /nfs/dbraw/zinc/22/95/93/299229593.db2.gz WOYRABXRSHQOGJ-RBSFLKMASA-N 1 3 262.397 2.432 10 0 CEAEHO C[C@H](C[NH2+][C@H](C)[C@@H]1CCCNC1)Oc1ccccc1 ZINC000569957918 299229595 /nfs/dbraw/zinc/22/95/95/299229595.db2.gz WOYRABXRSHQOGJ-RBSFLKMASA-N 1 3 262.397 2.432 10 0 CEAEHO C[C@H](COCc1ccccc1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000390517798 540390804 /nfs/dbraw/zinc/39/08/04/540390804.db2.gz DOKJSBAJAKZJOK-KBMXLJTQSA-N 1 3 262.397 2.451 10 0 CEAEHO CC(C)C[C@H](CO)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093515969 364195643 /nfs/dbraw/zinc/19/56/43/364195643.db2.gz MWMDYRPADANDEL-SOUVJXGZSA-N 1 3 256.434 2.294 10 0 CEAEHO C[C@H](NCCOC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000583137951 367007068 /nfs/dbraw/zinc/00/70/68/367007068.db2.gz WEJFFUSDOWMPIF-UONOGXRCSA-N 1 3 254.418 2.313 10 0 CEAEHO C[C@H]([NH2+]CCOC1CCCCC1)[C@@H]1CCCNC1 ZINC000583137951 367007075 /nfs/dbraw/zinc/00/70/75/367007075.db2.gz WEJFFUSDOWMPIF-UONOGXRCSA-N 1 3 254.418 2.313 10 0 CEAEHO C[C@H]1CN(CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000631838521 367579225 /nfs/dbraw/zinc/57/92/25/367579225.db2.gz PTIOMTIZLHDJPX-RYUDHWBXSA-N 1 3 295.814 2.195 10 0 CEAEHO C[C@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1CN ZINC000631838521 367579226 /nfs/dbraw/zinc/57/92/26/367579226.db2.gz PTIOMTIZLHDJPX-RYUDHWBXSA-N 1 3 295.814 2.195 10 0 CEAEHO C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1CN ZINC000631838521 367579228 /nfs/dbraw/zinc/57/92/28/367579228.db2.gz PTIOMTIZLHDJPX-RYUDHWBXSA-N 1 3 295.814 2.195 10 0 CEAEHO C[C@H]1CN(Cc2ccnc3ccccc23)C[C@@H]1C[NH3+] ZINC000634999116 369032063 /nfs/dbraw/zinc/03/20/63/369032063.db2.gz QFWNDAFDNRUHHV-JSGCOSHPSA-N 1 3 255.365 2.261 10 0 CEAEHO COc1ccc([C@H](C)CN2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261783737 371730705 /nfs/dbraw/zinc/73/07/05/371730705.db2.gz UGMMBQSLIHJZNY-CJNGLKHVSA-N 1 3 262.397 2.469 10 0 CEAEHO Cc1cccc(OCCN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261637085 371686169 /nfs/dbraw/zinc/68/61/69/371686169.db2.gz WPGWRDRIHJCUAG-IMJJTQAJSA-N 1 3 260.381 2.043 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(OC(F)F)cc3)C[C@@H]12 ZINC000261844835 371748204 /nfs/dbraw/zinc/74/82/04/371748204.db2.gz WBETWCVKQSJNIF-MRVWCRGKSA-N 1 3 282.334 2.457 10 0 CEAEHO NC[C@@H]1C[N@H+](CCc2cccnc2)C[C@H]1c1ccccc1 ZINC000261850884 371750380 /nfs/dbraw/zinc/75/03/80/371750380.db2.gz VIFXXXVEDZYBRH-MSOLQXFVSA-N 1 3 281.403 2.298 10 0 CEAEHO NC[C@@H]1C[N@@H+](CCc2cccnc2)C[C@H]1c1ccccc1 ZINC000261850884 371750388 /nfs/dbraw/zinc/75/03/88/371750388.db2.gz VIFXXXVEDZYBRH-MSOLQXFVSA-N 1 3 281.403 2.298 10 0 CEAEHO [NH3+]C[C@@H]1CN(CCc2cccnc2)C[C@H]1c1ccccc1 ZINC000261850884 371750395 /nfs/dbraw/zinc/75/03/95/371750395.db2.gz VIFXXXVEDZYBRH-MSOLQXFVSA-N 1 3 281.403 2.298 10 0 CEAEHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000263234352 371932907 /nfs/dbraw/zinc/93/29/07/371932907.db2.gz NUQSZGDMVBWXHY-BRSBDYLESA-N 1 3 288.435 2.273 10 0 CEAEHO C[C@@H](NC[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423098046 376990654 /nfs/dbraw/zinc/99/06/54/376990654.db2.gz JUMWREJQLZLYJX-KHMAMNHCSA-N 1 3 254.418 2.310 10 0 CEAEHO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@H]2CN)C[C@H](C)O1 ZINC000423109812 377003778 /nfs/dbraw/zinc/00/37/78/377003778.db2.gz UZVSJXHCKAXWLT-AIEDFZFUSA-N 1 3 254.418 2.297 10 0 CEAEHO C[NH2+][C@@H]1[C@H](CN2CCC(CO)CC2)CCCC1(C)C ZINC000094285959 184776605 /nfs/dbraw/zinc/77/66/05/184776605.db2.gz FLBBWJLYGKULHI-LSDHHAIUSA-N 1 3 268.445 2.105 10 0 CEAEHO [NH3+]C[C@@H]1CCC[C@@H]1CN1CCN(c2ccccc2F)CC1 ZINC000089482841 135059358 /nfs/dbraw/zinc/05/93/58/135059358.db2.gz KPUAGKGHWWZXQR-LSDHHAIUSA-N 1 3 291.414 2.323 10 0 CEAEHO C[NH+](C)[C@H]1CCCN(c2nc3ccccc3cc2CN)C1 ZINC000091394093 135068845 /nfs/dbraw/zinc/06/88/45/135068845.db2.gz ONLPPMCWODVQFE-HNNXBMFYSA-N 1 3 284.407 2.224 10 0 CEAEHO CC(C)NCc1cc(N2CCC[C@H]([NH+](C)C)C2)ccn1 ZINC000091432350 135070027 /nfs/dbraw/zinc/07/00/27/135070027.db2.gz VMVNJEMRAWMZHZ-INIZCTEOSA-N 1 3 276.428 2.110 10 0 CEAEHO C[C@@H](CN(C)Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423024289 394883936 /nfs/dbraw/zinc/88/39/36/394883936.db2.gz JBJOXNXGNLIFEB-QTXGHNMQSA-N 1 3 287.451 2.380 10 0 CEAEHO CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CNC[C@@H]2O)CC1 ZINC000263209060 154035813 /nfs/dbraw/zinc/03/58/13/154035813.db2.gz KBDHEIIQLWDSMS-KBXIAJHMSA-N 1 3 268.445 2.151 10 0 CEAEHO CC(C)(C)[C@@H]1CCC[C@H](NC[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263209060 154035818 /nfs/dbraw/zinc/03/58/18/154035818.db2.gz KBDHEIIQLWDSMS-KBXIAJHMSA-N 1 3 268.445 2.151 10 0 CEAEHO C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(CN)c2)C1 ZINC000022155010 171362010 /nfs/dbraw/zinc/36/20/10/171362010.db2.gz JVEOCAVKCFKMOW-ZDUSSCGKSA-N 1 3 275.396 2.206 10 0 CEAEHO C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(CN)c2)C1 ZINC000022155010 171362011 /nfs/dbraw/zinc/36/20/11/171362011.db2.gz JVEOCAVKCFKMOW-ZDUSSCGKSA-N 1 3 275.396 2.206 10 0 CEAEHO CCCN1CCN([C@@H](C[NH3+])c2ccc(C)cc2C)CC1 ZINC000022162866 171364772 /nfs/dbraw/zinc/36/47/72/171364772.db2.gz GLEVYRFUIXWVBM-KRWDZBQOSA-N 1 3 275.440 2.331 10 0 CEAEHO C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)N1C[C@H](C)C[C@@H](C)C1 ZINC000022221102 171377947 /nfs/dbraw/zinc/37/79/47/171377947.db2.gz VUZQHEHNAGRSRB-MCIONIFRSA-N 1 3 289.423 2.450 10 0 CEAEHO CC(C)C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C)C1)N(C)C ZINC000037221706 173041632 /nfs/dbraw/zinc/04/16/32/173041632.db2.gz XAWYRTURERWXRS-ARFHVFGLSA-N 1 3 269.477 2.283 10 0 CEAEHO [NH3+]C1CCN([C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000037325912 173126409 /nfs/dbraw/zinc/12/64/09/173126409.db2.gz HBPHSUKGFDWWGT-KRWDZBQOSA-N 1 3 273.424 2.074 10 0 CEAEHO FC(F)(F)[C@H]1CCCC[C@H]1NC1CC[NH2+]CC1 ZINC000038041263 174042414 /nfs/dbraw/zinc/04/24/14/174042414.db2.gz KPRMOJJSWGHKIU-WDEREUQCSA-N 1 3 250.308 2.449 10 0 CEAEHO FC(F)(F)[C@H]1CCCC[C@H]1[NH2+]C1CCNCC1 ZINC000038041263 174042419 /nfs/dbraw/zinc/04/24/19/174042419.db2.gz KPRMOJJSWGHKIU-WDEREUQCSA-N 1 3 250.308 2.449 10 0 CEAEHO C[C@@H]1CC[N@H+](CCCC(=O)Nc2cccc(CN)c2)C1 ZINC000040717012 174384698 /nfs/dbraw/zinc/38/46/98/174384698.db2.gz AWZRXPBFHNFWSJ-CYBMUJFWSA-N 1 3 275.396 2.206 10 0 CEAEHO C[C@@H]1CC[N@@H+](CCCC(=O)Nc2cccc(CN)c2)C1 ZINC000040717012 174384699 /nfs/dbraw/zinc/38/46/99/174384699.db2.gz AWZRXPBFHNFWSJ-CYBMUJFWSA-N 1 3 275.396 2.206 10 0 CEAEHO Cc1ccc([C@H]([C@@H](C)[NH3+])N2CCN(C(C)C)CC2)cc1 ZINC000042908630 174909050 /nfs/dbraw/zinc/90/90/50/174909050.db2.gz NRMPADJIJXKSOC-WBVHZDCISA-N 1 3 275.440 2.409 10 0 CEAEHO CC[C@@H]([NH3+])[C@H](c1ccccn1)N1CCN(C(C)(C)C)CC1 ZINC000043340031 175013612 /nfs/dbraw/zinc/01/36/12/175013612.db2.gz UYGQAYURGMTQDQ-GDBMZVCRSA-N 1 3 290.455 2.276 10 0 CEAEHO C[NH2+][C@@H]1CCCCCC[C@@H]1N(C)C1CCN(C)CC1 ZINC000043815197 175111679 /nfs/dbraw/zinc/11/16/79/175111679.db2.gz SCWLORNUSLFJRL-CVEARBPZSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[NH2+][C@H](CN1CCN(C(C)C)CC1)C(C)(C)C ZINC000043897061 175119961 /nfs/dbraw/zinc/11/99/61/175119961.db2.gz RHOMWHRAHDEQPB-CQSZACIVSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[C@@H]1CC[C@@H](NC)[C@H]([N@H+](C)C2CCOCC2)C1 ZINC000043898153 175120933 /nfs/dbraw/zinc/12/09/33/175120933.db2.gz UAWXYWJJUMKVLA-BPLDGKMQSA-N 1 3 254.418 2.264 10 0 CEAEHO CC[C@@H]1CC[C@@H](NC)[C@H]([N@@H+](C)C2CCOCC2)C1 ZINC000043898153 175120934 /nfs/dbraw/zinc/12/09/34/175120934.db2.gz UAWXYWJJUMKVLA-BPLDGKMQSA-N 1 3 254.418 2.264 10 0 CEAEHO CC[NH2+][C@@H]1CCCC[C@@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965636 175127301 /nfs/dbraw/zinc/12/73/01/175127301.db2.gz OSOMBHYYHPWJAT-CABCVRRESA-N 1 3 267.461 2.323 10 0 CEAEHO CCC[NH2+][C@@H](CC)[C@@H](C)N1CCN(CC2CC2)CC1 ZINC000043968004 175129009 /nfs/dbraw/zinc/12/90/09/175129009.db2.gz HHVJYKACMUUOAO-ZBFHGGJFSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[NH2+][C@@H]1CCCCC[C@@H]1N1CCN(CC2CC2)CC1 ZINC000043967925 175129097 /nfs/dbraw/zinc/12/90/97/175129097.db2.gz VLFWGSKJUYIYDX-SJORKVTESA-N 1 3 279.472 2.325 10 0 CEAEHO CC[NH2+][C@H]1CCCCC[C@@H]1N1CCN(CC2CC2)CC1 ZINC000043967927 175129100 /nfs/dbraw/zinc/12/91/00/175129100.db2.gz VLFWGSKJUYIYDX-IRXDYDNUSA-N 1 3 279.472 2.325 10 0 CEAEHO CCCC(C[NH3+])(CCC)C(=O)N[C@H](C)CN1CCCC1 ZINC000044805771 175256452 /nfs/dbraw/zinc/25/64/52/175256452.db2.gz SHRZRDCPARVPTF-CQSZACIVSA-N 1 3 283.460 2.132 10 0 CEAEHO CCCNC(=O)CCN[C@@H](C)[C@@H]1CCC[N@H+](CCC)C1 ZINC000045072520 175302220 /nfs/dbraw/zinc/30/22/20/175302220.db2.gz VEVCXTLGVNRXGK-LSDHHAIUSA-N 1 3 283.460 2.003 10 0 CEAEHO CCCNC(=O)CCN[C@@H](C)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000045072520 175302222 /nfs/dbraw/zinc/30/22/22/175302222.db2.gz VEVCXTLGVNRXGK-LSDHHAIUSA-N 1 3 283.460 2.003 10 0 CEAEHO CCCNC(=O)CC[NH2+][C@@H](C)[C@@H]1CCCN(CCC)C1 ZINC000045072520 175302223 /nfs/dbraw/zinc/30/22/23/175302223.db2.gz VEVCXTLGVNRXGK-LSDHHAIUSA-N 1 3 283.460 2.003 10 0 CEAEHO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CC(C)(C)CN(C)C ZINC000045167180 175319345 /nfs/dbraw/zinc/31/93/45/175319345.db2.gz TYBNEIWEBNJZJY-LLVKDONJSA-N 1 3 266.433 2.275 10 0 CEAEHO C[C@@](CCCC[NH+]1CCCCCC1)(NC1CC1)C(N)=O ZINC000045377484 175366815 /nfs/dbraw/zinc/36/68/15/175366815.db2.gz PAAXMCBRUGWUBA-INIZCTEOSA-N 1 3 281.444 2.029 10 0 CEAEHO C[C@](CCCC[NH+]1CCCCCC1)(NC1CC1)C(N)=O ZINC000045377482 175367203 /nfs/dbraw/zinc/36/72/03/175367203.db2.gz PAAXMCBRUGWUBA-MRXNPFEDSA-N 1 3 281.444 2.029 10 0 CEAEHO CCC[NH+](CCC)CCCC[C@](C)(NC1CC1)C(N)=O ZINC000045378559 175367360 /nfs/dbraw/zinc/36/73/60/175367360.db2.gz QKIUDAQHWDZRAX-INIZCTEOSA-N 1 3 283.460 2.275 10 0 CEAEHO C[N@H+](CCCC[C@@](C)(NC1CC1)C(N)=O)C1CCCC1 ZINC000045384754 175372152 /nfs/dbraw/zinc/37/21/52/175372152.db2.gz NIQTXPJRSNADGU-MRXNPFEDSA-N 1 3 281.444 2.027 10 0 CEAEHO C[N@@H+](CCCC[C@@](C)(NC1CC1)C(N)=O)C1CCCC1 ZINC000045384754 175372153 /nfs/dbraw/zinc/37/21/53/175372153.db2.gz NIQTXPJRSNADGU-MRXNPFEDSA-N 1 3 281.444 2.027 10 0 CEAEHO CC(C)CC[C@](C)(CN)[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188551 176063179 /nfs/dbraw/zinc/06/31/79/176063179.db2.gz SJGLPAXJFNEULY-HUUCEWRRSA-N 1 3 255.450 2.024 10 0 CEAEHO CC(C)CC[C@](C)(CN)[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188551 176063181 /nfs/dbraw/zinc/06/31/81/176063181.db2.gz SJGLPAXJFNEULY-HUUCEWRRSA-N 1 3 255.450 2.024 10 0 CEAEHO CCN(CC)[C@H](CN1CC[C@H]([NH2+]C)C1)c1ccccc1 ZINC000071197854 176076511 /nfs/dbraw/zinc/07/65/11/176076511.db2.gz UOVMGAQVQROLGT-DLBZAZTESA-N 1 3 275.440 2.363 10 0 CEAEHO Cc1ncsc1C[NH2+][C@@H](C)[C@H]1CCCN(C)C1 ZINC000071212670 176084180 /nfs/dbraw/zinc/08/41/80/176084180.db2.gz FDKWPOUUMXYZEK-JQWIXIFHSA-N 1 3 253.415 2.271 10 0 CEAEHO CC[N@@H+]1CCC[C@@H]1CN1Cc2ccc(F)cc2C1=N ZINC000071268596 176102303 /nfs/dbraw/zinc/10/23/03/176102303.db2.gz IBKNHTYMVMZUOD-CYBMUJFWSA-N 1 3 261.344 2.451 10 0 CEAEHO CC[N@H+]1CCC[C@@H]1CN1Cc2ccc(F)cc2C1=N ZINC000071268596 176102304 /nfs/dbraw/zinc/10/23/04/176102304.db2.gz IBKNHTYMVMZUOD-CYBMUJFWSA-N 1 3 261.344 2.451 10 0 CEAEHO CCN1CCC[C@@H]1CN1Cc2ccc(F)cc2C1=[NH2+] ZINC000071268596 176102306 /nfs/dbraw/zinc/10/23/06/176102306.db2.gz IBKNHTYMVMZUOD-CYBMUJFWSA-N 1 3 261.344 2.451 10 0 CEAEHO CC[C@]1(C)CN(CCCn2ccnc2)[C@H](C(C)C)C[NH2+]1 ZINC000071356936 176136752 /nfs/dbraw/zinc/13/67/52/176136752.db2.gz XMVAPDPVLKRFIE-JKSUJKDBSA-N 1 3 278.444 2.372 10 0 CEAEHO CN(C(=O)CC[C@H](CC[NH3+])C(C)(C)C)C1CCN(C)CC1 ZINC000079288660 177464354 /nfs/dbraw/zinc/46/43/54/177464354.db2.gz MAERPJLRNBADQI-CQSZACIVSA-N 1 3 297.487 2.330 10 0 CEAEHO C[C@H](NC[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423098041 270835235 /nfs/dbraw/zinc/83/52/35/270835235.db2.gz JUMWREJQLZLYJX-AICCOOGYSA-N 1 3 254.418 2.310 10 0 CEAEHO CC(C)[NH2+]CC(C)(C)CN1CCC[C@@H]1CCCO ZINC000052763379 519719980 /nfs/dbraw/zinc/71/99/80/519719980.db2.gz UOKWBVQLTMDXIU-CQSZACIVSA-N 1 3 256.434 2.248 10 0 CEAEHO CC[NH2+]Cc1coc(CN2CCCSCC2)c1 ZINC000052371105 520019131 /nfs/dbraw/zinc/01/91/31/520019131.db2.gz OKXZRFJXLFKXCL-UHFFFAOYSA-N 1 3 254.399 2.328 10 0 CEAEHO CCO[C@H](C[NH3+])CCN(C)Cc1cccc(F)c1 ZINC000062740790 520516262 /nfs/dbraw/zinc/51/62/62/520516262.db2.gz WILKPMCBCGOLMK-AWEZNQCLSA-N 1 3 254.349 2.011 10 0 CEAEHO CCCc1nc(N2CCC[C@@H]2C[NH+](C)C)sc1CN ZINC000061655583 521533012 /nfs/dbraw/zinc/53/30/12/521533012.db2.gz FVYCHUBTSSLFRV-LLVKDONJSA-N 1 3 282.457 2.085 10 0 CEAEHO CCCN(CCN(C)C)C[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000053875617 521657041 /nfs/dbraw/zinc/65/70/41/521657041.db2.gz VIRBHKZZUMPMSC-HOTGVXAUSA-N 1 3 269.477 2.428 10 0 CEAEHO CC(C)CN1CCN(CC[NH2+]CC2CCCC2)CC1 ZINC000055076040 519725920 /nfs/dbraw/zinc/72/59/20/519725920.db2.gz FPDQEXNKHDQDDR-UHFFFAOYSA-N 1 3 267.461 2.040 10 0 CEAEHO CC(C)NCc1ccc(CN2CCC[C@@H]2C[NH+](C)C)o1 ZINC000061654491 519726980 /nfs/dbraw/zinc/72/69/80/519726980.db2.gz MWGLSDRTIVAYTJ-CQSZACIVSA-N 1 3 279.428 2.304 10 0 CEAEHO CC(C)CN1CCN([C@H](C[NH3+])CCc2ccccc2)CC1 ZINC000061625179 519727796 /nfs/dbraw/zinc/72/77/96/519727796.db2.gz QWCYLRCLURDIQL-SFHVURJKSA-N 1 3 289.467 2.220 10 0 CEAEHO CC(C)CN1CCN([C@@]2(C[NH3+])CCCC[C@@H]2C)CC1 ZINC000055078470 519728180 /nfs/dbraw/zinc/72/81/80/519728180.db2.gz ILAQWEGIFDCBLW-JKSUJKDBSA-N 1 3 267.461 2.168 10 0 CEAEHO CC(C)NCc1cnc(N2CCC(C[NH+](C)C)CC2)s1 ZINC000054907416 519728751 /nfs/dbraw/zinc/72/87/51/519728751.db2.gz IRCQWPCWWGIEEV-UHFFFAOYSA-N 1 3 296.484 2.419 10 0 CEAEHO CC(C)C[NH2+]CCCCN1CCO[C@H]2CCC[C@@H]21 ZINC000052540109 519743197 /nfs/dbraw/zinc/74/31/97/519743197.db2.gz GLKAKDZZRSXVKD-GJZGRUSLSA-N 1 3 254.418 2.266 10 0 CEAEHO CC(C)C[NH2+]CC[C@H](C)N1CCN(C(C)(C)C)CC1 ZINC000052571724 519744228 /nfs/dbraw/zinc/74/42/28/519744228.db2.gz QPQFRAWUOFDQPQ-HNNXBMFYSA-N 1 3 269.477 2.427 10 0 CEAEHO CC(C)C[NH2+]C[C@H](C(C)C)N1CCN(CC2CC2)CC1 ZINC000052372387 519745591 /nfs/dbraw/zinc/74/55/91/519745591.db2.gz YISAZPFJNSPGAB-QGZVFWFLSA-N 1 3 281.488 2.284 10 0 CEAEHO CC(C)C[NH2+]C[C@H]1CC[C@@H](CN(C)C[C@@H]2CCCCO2)O1 ZINC000052507669 519746057 /nfs/dbraw/zinc/74/60/57/519746057.db2.gz DJFNAIBBOZQNMP-IKGGRYGDSA-N 1 3 298.471 2.281 10 0 CEAEHO CC(C)OCC[N@@H+]1CCCN[C@@H](Cc2ccccc2)C1 ZINC000062670315 519765757 /nfs/dbraw/zinc/76/57/57/519765757.db2.gz KEHUJQDTMPHTAJ-KRWDZBQOSA-N 1 3 276.424 2.318 10 0 CEAEHO CC(C)OCC[N@H+]1CCCN[C@@H](Cc2ccccc2)C1 ZINC000062670315 519765758 /nfs/dbraw/zinc/76/57/58/519765758.db2.gz KEHUJQDTMPHTAJ-KRWDZBQOSA-N 1 3 276.424 2.318 10 0 CEAEHO CCC[NH+]1CCC(NC2=N[C@H](CC)CS2)CC1 ZINC000049559140 519846389 /nfs/dbraw/zinc/84/63/89/519846389.db2.gz AMNOVWNYLPUREZ-LLVKDONJSA-N 1 3 255.431 2.332 10 0 CEAEHO CCC1CC[NH+](CCCC[C@@](C)(NC2CC2)C(N)=O)CC1 ZINC000045428351 519859035 /nfs/dbraw/zinc/85/90/35/519859035.db2.gz YPEJKBOAZRXQLG-QGZVFWFLSA-N 1 3 295.471 2.275 10 0 CEAEHO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1CCCC[C@@H]1O ZINC000054602322 519910205 /nfs/dbraw/zinc/91/02/05/519910205.db2.gz JBVRJNALTXSJPD-BMRXWSCTSA-N 1 3 266.429 2.285 10 0 CEAEHO CCC[NH2+]CCCCN1CCN([C@H](C)CC)CC1 ZINC000055074534 519912356 /nfs/dbraw/zinc/91/23/56/519912356.db2.gz USBHYKUNSISRSQ-OAHLLOKOSA-N 1 3 255.450 2.182 10 0 CEAEHO CCC[NH2+]CC[C@@H](C)N1CCN([C@H](C)CC)CC1 ZINC000055074852 519918408 /nfs/dbraw/zinc/91/84/08/519918408.db2.gz TZRZAYRFJRNWDQ-HUUCEWRRSA-N 1 3 255.450 2.181 10 0 CEAEHO CCCNCc1ccc(COCCC[NH+](C)C)o1 ZINC000052672361 519950963 /nfs/dbraw/zinc/95/09/63/519950963.db2.gz NNHZWMWMAVBVCY-UHFFFAOYSA-N 1 3 254.374 2.248 10 0 CEAEHO CC[NH2+]C[C@@H]1CC[C@H](CN2CCc3ccccc3C2)O1 ZINC000052419164 519955131 /nfs/dbraw/zinc/95/51/31/519955131.db2.gz LTSVUODGFRJQGT-DLBZAZTESA-N 1 3 274.408 2.202 10 0 CEAEHO CCCNCc1nc(COCCC[NH+](C)C)cs1 ZINC000052672148 519968056 /nfs/dbraw/zinc/96/80/56/519968056.db2.gz LIWVGTBTEDPTIO-UHFFFAOYSA-N 1 3 271.430 2.111 10 0 CEAEHO CCCN[C@@H]1COc2cc(OCC[NH+](C)C)ccc21 ZINC000062805211 520026677 /nfs/dbraw/zinc/02/66/77/520026677.db2.gz NYAWLGSJZKBEFD-CQSZACIVSA-N 1 3 264.369 2.060 10 0 CEAEHO CC[NH+](CC)CCc1nc(C)c(CNC2CC2)c(C)n1 ZINC000054854372 520712380 /nfs/dbraw/zinc/71/23/80/520712380.db2.gz VNTHVSXCNSHVAB-UHFFFAOYSA-N 1 3 276.428 2.230 10 0 CEAEHO CCC[C@H]1CC[C@@H](N)[C@H]([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061643453 521211644 /nfs/dbraw/zinc/21/16/44/521211644.db2.gz NRPMUHVPTBLTQJ-ZJIFWQFVSA-N 1 3 267.461 2.309 10 0 CEAEHO CCC[C@H]1CC[C@@H](N)[C@H]([N@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061643453 521211651 /nfs/dbraw/zinc/21/16/51/521211651.db2.gz NRPMUHVPTBLTQJ-ZJIFWQFVSA-N 1 3 267.461 2.309 10 0 CEAEHO CCOC1CCN(CCOc2ccccc2C[NH2+]C)CC1 ZINC000052484020 521655641 /nfs/dbraw/zinc/65/56/41/521655641.db2.gz IWSDVLOXIHWAJT-UHFFFAOYSA-N 1 3 292.423 2.286 10 0 CEAEHO CC[C@@H](C)N1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000055083578 522119433 /nfs/dbraw/zinc/11/94/33/522119433.db2.gz BIPAQGZWGAYNRZ-OAHLLOKOSA-N 1 3 267.461 2.182 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H]2CCc3ccccc3[C@@H]2[NH3+])CC1 ZINC000055065303 522129911 /nfs/dbraw/zinc/12/99/11/522129911.db2.gz FMTIIXVSXBTDMH-OLMNPRSZSA-N 1 3 287.451 2.417 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000055063890 522132429 /nfs/dbraw/zinc/13/24/29/522132429.db2.gz HEGCSDMUIRIOSP-CZUORRHYSA-N 1 3 279.403 2.242 10 0 CEAEHO CNCc1occc1C[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545357 522163966 /nfs/dbraw/zinc/16/39/66/522163966.db2.gz AFXIOWTXPAGODW-LBPRGKRZSA-N 1 3 266.385 2.246 10 0 CEAEHO CNCc1occc1C[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545357 522163974 /nfs/dbraw/zinc/16/39/74/522163974.db2.gz AFXIOWTXPAGODW-LBPRGKRZSA-N 1 3 266.385 2.246 10 0 CEAEHO CC[C@H](C[NH2+]CC(C)C)N1CCN([C@@H](C)CC)CC1 ZINC000055074667 522194982 /nfs/dbraw/zinc/19/49/82/522194982.db2.gz ZVWDQKRIMWQRQJ-JKSUJKDBSA-N 1 3 269.477 2.427 10 0 CEAEHO C[NH2+][C@H](C)c1sc(N(C)[C@@H]2CCCN(C)C2)nc1C ZINC000054905543 522457072 /nfs/dbraw/zinc/45/70/72/522457072.db2.gz JABHQFCURDYMDF-ZYHUDNBSSA-N 1 3 282.457 2.262 10 0 CEAEHO CN(C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1)C[C@@H]1CCCCO1 ZINC000052507655 523078534 /nfs/dbraw/zinc/07/85/34/523078534.db2.gz FEAUUUNIHFHZHQ-JYJNAYRXSA-N 1 3 298.471 2.423 10 0 CEAEHO CC[C@@H]1CO[C@@H](C)CN1CCC[C@@H]1CCCC[NH2+]1 ZINC000050953206 523505114 /nfs/dbraw/zinc/50/51/14/523505114.db2.gz NBHXCDPBQPSZEG-SOUVJXGZSA-N 1 3 254.418 2.408 10 0 CEAEHO CN([C@@H](C[NH3+])c1cc2ccccc2o1)[C@@H]1CCCN(C)C1 ZINC000068811925 523623999 /nfs/dbraw/zinc/62/39/99/523623999.db2.gz JZFMISXGHCQNSS-CABCVRRESA-N 1 3 287.407 2.459 10 0 CEAEHO CC[C@H](C)N(CCOC)Cc1cc(C[NH3+])c(C)o1 ZINC000052547304 523939403 /nfs/dbraw/zinc/93/94/03/523939403.db2.gz MIMTXQYDRJOPTJ-NSHDSACASA-N 1 3 254.374 2.294 10 0 CEAEHO CC[C@H](C)N1CCN(CC[NH2+]CC2CCCC2)CC1 ZINC000055075434 523953564 /nfs/dbraw/zinc/95/35/64/523953564.db2.gz OPFPVGFVOIYQPG-HNNXBMFYSA-N 1 3 267.461 2.182 10 0 CEAEHO CC[C@H](C)N1CCN(CC[NH2+]CCC(C)C)CC1 ZINC000055075360 523954063 /nfs/dbraw/zinc/95/40/63/523954063.db2.gz MNLXEXRDVSDMIU-HNNXBMFYSA-N 1 3 255.450 2.038 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055067285 523958135 /nfs/dbraw/zinc/95/81/35/523958135.db2.gz HZIQAZLCTBPWNC-HOCLYGCPSA-N 1 3 288.439 2.470 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069267071 523958543 /nfs/dbraw/zinc/95/85/43/523958543.db2.gz NSTGGXBEHTYUFT-WMLDXEAASA-N 1 3 273.424 2.247 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C)C[NH2+]C2CCCC2)CC1 ZINC000055074953 523959201 /nfs/dbraw/zinc/95/92/01/523959201.db2.gz SWXZGTLUYTZEHK-LSDHHAIUSA-N 1 3 267.461 2.323 10 0 CEAEHO C[NH+](C)CC1CCN(Cc2ccoc2CNC2CC2)CC1 ZINC000052515326 524049836 /nfs/dbraw/zinc/04/98/36/524049836.db2.gz AESRDZRLSUZYCK-UHFFFAOYSA-N 1 3 291.439 2.305 10 0 CEAEHO C[C@H](CCC[NH2+]C(C)(C)C)N(C)Cc1cnn(C)c1 ZINC000052570398 524139497 /nfs/dbraw/zinc/13/94/97/524139497.db2.gz HLSIYNCLUXMANE-CYBMUJFWSA-N 1 3 266.433 2.409 10 0 CEAEHO C[C@H](C[NH2+]C(C)(C)C)N1CCN(C(C)(C)C)CC1 ZINC000052571579 524478985 /nfs/dbraw/zinc/47/89/85/524478985.db2.gz UCNNTOGYMIOKKW-CYBMUJFWSA-N 1 3 255.450 2.179 10 0 CEAEHO Cc1cc(CN2CCCN(C)CC2)oc1C[NH2+]CC(C)C ZINC000052424487 524680217 /nfs/dbraw/zinc/68/02/17/524680217.db2.gz OIMJUDGJYFRNPV-UHFFFAOYSA-N 1 3 293.455 2.471 10 0 CEAEHO C[C@H]1CCCC[C@@H]1[NH2+]CCN1CCC[C@@H]1CN(C)C ZINC000061655239 526258208 /nfs/dbraw/zinc/25/82/08/526258208.db2.gz HLYKZQWPKJZXNO-XHSDSOJGSA-N 1 3 267.461 2.181 10 0 CEAEHO Cc1nc(N2CCC(C[NH+](C)C)CC2)sc1[C@@H](C)N ZINC000054897107 526962996 /nfs/dbraw/zinc/96/29/96/526962996.db2.gz MLVFQXKZVNYPCD-SNVBAGLBSA-N 1 3 282.457 2.249 10 0 CEAEHO NC[C@H](c1ccoc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000063047766 527230385 /nfs/dbraw/zinc/23/03/85/527230385.db2.gz QODBVTJMMWKMSG-MRXNPFEDSA-N 1 3 277.412 2.230 10 0 CEAEHO NNc1cc(CN2CC[C@H](c3ccccc3)C2)cc[nH+]1 ZINC000052718696 527274710 /nfs/dbraw/zinc/27/47/10/527274710.db2.gz OQEXLVQJJIFYJD-HNNXBMFYSA-N 1 3 268.364 2.357 10 0 CEAEHO CCN1CCC2(CC1)[NH2+]CC1(CCCCC1)CO2 ZINC000757146006 574510379 /nfs/dbraw/zinc/51/03/79/574510379.db2.gz JEGJGRLTWSQGBQ-UHFFFAOYSA-N 1 3 252.402 2.369 10 0 CEAEHO CCc1ccc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)o1 ZINC000121114710 365524866 /nfs/dbraw/zinc/52/48/66/365524866.db2.gz FNXCJRVLJRHQLI-AWEZNQCLSA-N 1 3 294.439 2.367 10 0 CEAEHO CN(C)CC[C@H]([NH3+])Cc1ccccc1Br ZINC000096944855 185135031 /nfs/dbraw/zinc/13/50/31/185135031.db2.gz DXOLGJFIFDHEMP-NSHDSACASA-N 1 3 271.202 2.271 10 0 CEAEHO C[NH+](C)CC[C@H](N)Cc1ccccc1Br ZINC000096944855 185135033 /nfs/dbraw/zinc/13/50/33/185135033.db2.gz DXOLGJFIFDHEMP-NSHDSACASA-N 1 3 271.202 2.271 10 0 CEAEHO Cc1cc(N2CCO[C@H]([C@H](C)[NH3+])C2)c2ccccc2n1 ZINC000228375067 539338733 /nfs/dbraw/zinc/33/87/33/539338733.db2.gz SIINFYDKINVCAI-LRDDRELGSA-N 1 3 271.364 2.096 10 0 CEAEHO C[C@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)CCS1 ZINC000137208309 344387364 /nfs/dbraw/zinc/38/73/64/344387364.db2.gz FVLDTWKDLVZZLW-LBPRGKRZSA-N 1 3 262.422 2.270 10 0 CEAEHO CN(C)Cc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085361423 179032982 /nfs/dbraw/zinc/03/29/82/179032982.db2.gz MQTWVHZJTAFXJU-CABCVRRESA-N 1 3 275.396 2.204 10 0 CEAEHO CCC1(CC)CN(CCn2ccnc2C)[C@@H](C)CC[NH2+]1 ZINC000085627894 179106956 /nfs/dbraw/zinc/10/69/56/179106956.db2.gz DHOJNHJAWUHRAV-AWEZNQCLSA-N 1 3 278.444 2.434 10 0 CEAEHO CCC1(CC)C[N@H+](CCn2ccnc2C)[C@@H](C)CCN1 ZINC000085627894 179106957 /nfs/dbraw/zinc/10/69/57/179106957.db2.gz DHOJNHJAWUHRAV-AWEZNQCLSA-N 1 3 278.444 2.434 10 0 CEAEHO CCC1(CC)C[N@@H+](CCn2ccnc2C)[C@@H](C)CCN1 ZINC000085627894 179106959 /nfs/dbraw/zinc/10/69/59/179106959.db2.gz DHOJNHJAWUHRAV-AWEZNQCLSA-N 1 3 278.444 2.434 10 0 CEAEHO C[C@H]1CC[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CCCO1 ZINC000085624329 179107008 /nfs/dbraw/zinc/10/70/08/179107008.db2.gz HVIDODIXTBRKFF-IHRRRGAJSA-N 1 3 254.418 2.264 10 0 CEAEHO C[C@H]1CCN[C@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085624329 179107010 /nfs/dbraw/zinc/10/70/10/179107010.db2.gz HVIDODIXTBRKFF-IHRRRGAJSA-N 1 3 254.418 2.264 10 0 CEAEHO C[C@H]1CCN[C@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCCO1 ZINC000085624329 179107011 /nfs/dbraw/zinc/10/70/11/179107011.db2.gz HVIDODIXTBRKFF-IHRRRGAJSA-N 1 3 254.418 2.264 10 0 CEAEHO CC(C)OCC[N@@H+]1CCCNC2(CCCCC2)C1 ZINC000085610338 179101987 /nfs/dbraw/zinc/10/19/87/179101987.db2.gz HNYVNHWJTRXUOZ-UHFFFAOYSA-N 1 3 254.418 2.410 10 0 CEAEHO CC(C)OCC[N@H+]1CCCNC2(CCCCC2)C1 ZINC000085610338 179101990 /nfs/dbraw/zinc/10/19/90/179101990.db2.gz HNYVNHWJTRXUOZ-UHFFFAOYSA-N 1 3 254.418 2.410 10 0 CEAEHO Cc1nccn1CCN1C[C@@H](CC(C)C)[NH2+]CC[C@@H]1C ZINC000085621891 179105980 /nfs/dbraw/zinc/10/59/80/179105980.db2.gz YJNGXFGGIFMZNH-GOEBONIOSA-N 1 3 278.444 2.290 10 0 CEAEHO Cc1nccn1CC[N@H+]1C[C@@H](CC(C)C)NCC[C@@H]1C ZINC000085621891 179105981 /nfs/dbraw/zinc/10/59/81/179105981.db2.gz YJNGXFGGIFMZNH-GOEBONIOSA-N 1 3 278.444 2.290 10 0 CEAEHO Cc1nccn1CC[N@@H+]1C[C@@H](CC(C)C)NCC[C@@H]1C ZINC000085621891 179105983 /nfs/dbraw/zinc/10/59/83/179105983.db2.gz YJNGXFGGIFMZNH-GOEBONIOSA-N 1 3 278.444 2.290 10 0 CEAEHO CCN1CCC[C@H](N2CC[NH2+]C3(CCCCC3)C2)C1 ZINC000086143098 179237680 /nfs/dbraw/zinc/23/76/80/179237680.db2.gz KEBYFJSFMMHXEE-HNNXBMFYSA-N 1 3 265.445 2.079 10 0 CEAEHO CCCN1CCC([N@@H+]2C[C@H](C)NC[C@@H]2C(C)C)CC1 ZINC000086173181 179245126 /nfs/dbraw/zinc/24/51/26/179245126.db2.gz JNPUPRRQPVLOIZ-GOEBONIOSA-N 1 3 267.461 2.179 10 0 CEAEHO CCCN1CCC([N@H+]2C[C@H](C)NC[C@@H]2C(C)C)CC1 ZINC000086173181 179245129 /nfs/dbraw/zinc/24/51/29/179245129.db2.gz JNPUPRRQPVLOIZ-GOEBONIOSA-N 1 3 267.461 2.179 10 0 CEAEHO CC(C)[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223089 179250359 /nfs/dbraw/zinc/25/03/59/179250359.db2.gz LNBDZICTBDEZMC-DJIMGWMZSA-N 1 3 279.472 2.037 10 0 CEAEHO CC(C)[C@H]1CN[C@@](C)(C2CC2)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223089 179250361 /nfs/dbraw/zinc/25/03/61/179250361.db2.gz LNBDZICTBDEZMC-DJIMGWMZSA-N 1 3 279.472 2.037 10 0 CEAEHO CC[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223101 179250392 /nfs/dbraw/zinc/25/03/92/179250392.db2.gz OKKXXQPCBDAVJH-ILXRZTDVSA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@H]1CN[C@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223101 179250395 /nfs/dbraw/zinc/25/03/95/179250395.db2.gz OKKXXQPCBDAVJH-ILXRZTDVSA-N 1 3 267.461 2.037 10 0 CEAEHO C[C@@H]1CN[C@@](C)(c2ccccc2)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223146 179251615 /nfs/dbraw/zinc/25/16/15/179251615.db2.gz NBFPUDZFMMRNHI-JFIYKMOQSA-N 1 3 287.451 2.147 10 0 CEAEHO C[C@@H]1CN[C@@](C)(c2ccccc2)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223146 179251617 /nfs/dbraw/zinc/25/16/17/179251617.db2.gz NBFPUDZFMMRNHI-JFIYKMOQSA-N 1 3 287.451 2.147 10 0 CEAEHO CC[C@H]1CN[C@@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223137 179251711 /nfs/dbraw/zinc/25/17/11/179251711.db2.gz OCPPGAMPWPXDEJ-BPQIPLTHSA-N 1 3 287.451 2.363 10 0 CEAEHO CC[C@H]1CN[C@@H](c2ccccc2)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223137 179251714 /nfs/dbraw/zinc/25/17/14/179251714.db2.gz OCPPGAMPWPXDEJ-BPQIPLTHSA-N 1 3 287.451 2.363 10 0 CEAEHO C[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259619 179257997 /nfs/dbraw/zinc/25/79/97/179257997.db2.gz SXJTXNUDRFZLEH-OLMNPRSZSA-N 1 3 291.483 2.466 10 0 CEAEHO C[C@@H]1CNC2(CCCCC2)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259227 179258609 /nfs/dbraw/zinc/25/86/09/179258609.db2.gz ZPMGSGHRVSPUFL-HZPDHXFCSA-N 1 3 279.472 2.325 10 0 CEAEHO C[C@@H]1CNC2(CCCCC2)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259227 179258611 /nfs/dbraw/zinc/25/86/11/179258611.db2.gz ZPMGSGHRVSPUFL-HZPDHXFCSA-N 1 3 279.472 2.325 10 0 CEAEHO CCC[C@@H]1CN([C@@H]2CCN(C3CC3)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086259671 179259296 /nfs/dbraw/zinc/25/92/96/179259296.db2.gz SSNWKCDGMDBQNV-OIISXLGYSA-N 1 3 279.472 2.322 10 0 CEAEHO CCC[C@@H]1C[N@H+]([C@@H]2CCN(C3CC3)C2)[C@H](C(C)C)CN1 ZINC000086259671 179259297 /nfs/dbraw/zinc/25/92/97/179259297.db2.gz SSNWKCDGMDBQNV-OIISXLGYSA-N 1 3 279.472 2.322 10 0 CEAEHO CCC[C@@H]1C[N@@H+]([C@@H]2CCN(C3CC3)C2)[C@H](C(C)C)CN1 ZINC000086259671 179259299 /nfs/dbraw/zinc/25/92/99/179259299.db2.gz SSNWKCDGMDBQNV-OIISXLGYSA-N 1 3 279.472 2.322 10 0 CEAEHO C(C[N@@H+]1CCCNC2(CCCC2)C1)[C@@H]1CCCO1 ZINC000086291389 179265501 /nfs/dbraw/zinc/26/55/01/179265501.db2.gz OAGYJDZZHQFJNF-AWEZNQCLSA-N 1 3 252.402 2.164 10 0 CEAEHO C(C[N@H+]1CCCNC2(CCCC2)C1)[C@@H]1CCCO1 ZINC000086291389 179265503 /nfs/dbraw/zinc/26/55/03/179265503.db2.gz OAGYJDZZHQFJNF-AWEZNQCLSA-N 1 3 252.402 2.164 10 0 CEAEHO C(CN1CCC[NH2+]C2(CCCC2)C1)[C@@H]1CCCO1 ZINC000086291389 179265504 /nfs/dbraw/zinc/26/55/04/179265504.db2.gz OAGYJDZZHQFJNF-AWEZNQCLSA-N 1 3 252.402 2.164 10 0 CEAEHO CC[C@@H]1CNC2(CCCC2)C[N@@H+]1CC1CCN(C)CC1 ZINC000086259072 179256485 /nfs/dbraw/zinc/25/64/85/179256485.db2.gz HWCQCKFIQOJVHY-MRXNPFEDSA-N 1 3 279.472 2.325 10 0 CEAEHO CC[C@@H]1CNC2(CCCC2)C[N@H+]1CC1CCN(C)CC1 ZINC000086259072 179256486 /nfs/dbraw/zinc/25/64/86/179256486.db2.gz HWCQCKFIQOJVHY-MRXNPFEDSA-N 1 3 279.472 2.325 10 0 CEAEHO CC[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1CC1CCN(C)CC1 ZINC000086258986 179256987 /nfs/dbraw/zinc/25/69/87/179256987.db2.gz OCCCFKPOWXVNRM-SJORKVTESA-N 1 3 279.472 2.181 10 0 CEAEHO CC[C@@H]1CN[C@](C)(C2CC2)C[N@H+]1CC1CCN(C)CC1 ZINC000086258986 179256988 /nfs/dbraw/zinc/25/69/88/179256988.db2.gz OCCCFKPOWXVNRM-SJORKVTESA-N 1 3 279.472 2.181 10 0 CEAEHO C1CC1N1CC[C@@H](N2CCC[NH2+][C@@H](C3CCCCC3)C2)C1 ZINC000086291992 179266175 /nfs/dbraw/zinc/26/61/75/179266175.db2.gz GYIOFNBQBWRLTL-QZTJIDSGSA-N 1 3 291.483 2.467 10 0 CEAEHO CC1CCC([N@H+](C)[C@@]2(CN)CCCN(C)CC2)CC1 ZINC000086819399 179348466 /nfs/dbraw/zinc/34/84/66/179348466.db2.gz LQCCECUAWLADGB-GPANFISMSA-N 1 3 267.461 2.310 10 0 CEAEHO CC1CCC([N@@H+](C)[C@@]2(CN)CCCN(C)CC2)CC1 ZINC000086819399 179348467 /nfs/dbraw/zinc/34/84/67/179348467.db2.gz LQCCECUAWLADGB-GPANFISMSA-N 1 3 267.461 2.310 10 0 CEAEHO CCCN1CCC[C@]([NH2+]C2CCCCC2)(C(N)=O)CC1 ZINC000086849636 179357631 /nfs/dbraw/zinc/35/76/31/179357631.db2.gz HJMLZXVNHVQEJE-MRXNPFEDSA-N 1 3 281.444 2.029 10 0 CEAEHO CCC[N@@H+]1CCC[C@H](NCCN(C)C(C)C)CC1 ZINC000086844344 179354380 /nfs/dbraw/zinc/35/43/80/179354380.db2.gz OUZBNYRPQIUPCZ-HNNXBMFYSA-N 1 3 255.450 2.181 10 0 CEAEHO CCC[N@H+]1CCC[C@H](NCCN(C)C(C)C)CC1 ZINC000086844344 179354381 /nfs/dbraw/zinc/35/43/81/179354381.db2.gz OUZBNYRPQIUPCZ-HNNXBMFYSA-N 1 3 255.450 2.181 10 0 CEAEHO CCCN1CCC[C@@](CN)([N@H+](C)[C@@H](C)CC)CC1 ZINC000086846843 179355101 /nfs/dbraw/zinc/35/51/01/179355101.db2.gz WHZJNOQTNCCNHA-LSDHHAIUSA-N 1 3 255.450 2.310 10 0 CEAEHO CCCN1CCC[C@@](CN)([N@@H+](C)[C@@H](C)CC)CC1 ZINC000086846843 179355104 /nfs/dbraw/zinc/35/51/04/179355104.db2.gz WHZJNOQTNCCNHA-LSDHHAIUSA-N 1 3 255.450 2.310 10 0 CEAEHO CCCN1CCC[C@](CN)([N@H+](CC)CCC)CC1 ZINC000086846764 179355567 /nfs/dbraw/zinc/35/55/67/179355567.db2.gz KVFUSTYSEPNYRV-HNNXBMFYSA-N 1 3 255.450 2.312 10 0 CEAEHO CCCN1CCC[C@](CN)([N@@H+](CC)CCC)CC1 ZINC000086846764 179355568 /nfs/dbraw/zinc/35/55/68/179355568.db2.gz KVFUSTYSEPNYRV-HNNXBMFYSA-N 1 3 255.450 2.312 10 0 CEAEHO CCCOc1cccc([C@@H](C[NH3+])NCCN(CC)CC)c1 ZINC000087912463 179520723 /nfs/dbraw/zinc/52/07/23/179520723.db2.gz ZQIMRFZSULKPIV-QGZVFWFLSA-N 1 3 293.455 2.407 10 0 CEAEHO COc1ccccc1OCCN(C)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089112608 179707512 /nfs/dbraw/zinc/70/75/12/179707512.db2.gz VNKKKIRZPLASFM-ZIAGYGMSSA-N 1 3 278.396 2.133 10 0 CEAEHO C[C@H](C(=O)Nc1ccccc1)N(C)CCC1CC[NH2+]CC1 ZINC000090694028 180026441 /nfs/dbraw/zinc/02/64/41/180026441.db2.gz TVQGXFAVXUGORK-CQSZACIVSA-N 1 3 289.423 2.335 10 0 CEAEHO C[C@@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O2)[C@@H]1CN ZINC000090875312 180050885 /nfs/dbraw/zinc/05/08/85/180050885.db2.gz IVRYLCNJODRJAV-VHDGCEQUSA-N 1 3 260.381 2.049 10 0 CEAEHO C[C@@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc3O2)[C@@H]1CN ZINC000090875312 180050888 /nfs/dbraw/zinc/05/08/88/180050888.db2.gz IVRYLCNJODRJAV-VHDGCEQUSA-N 1 3 260.381 2.049 10 0 CEAEHO Cc1ccc2c(c1)C[C@H](CN(CCC[NH3+])C(C)C)O2 ZINC000090896976 180057512 /nfs/dbraw/zinc/05/75/12/180057512.db2.gz LNZIEPNBPOBYAM-OAHLLOKOSA-N 1 3 262.397 2.358 10 0 CEAEHO CC[C@@H](CC[NH3+])N1CCN(C[C@@H]2Cc3ccccc32)CC1 ZINC000090975964 180079177 /nfs/dbraw/zinc/07/91/77/180079177.db2.gz UGLSHYSQJFXMSM-IRXDYDNUSA-N 1 3 287.451 2.071 10 0 CEAEHO C[C@@H]1c2ccsc2CC[N@H+]1CC[C@@H]1CNCCO1 ZINC000091313966 180132416 /nfs/dbraw/zinc/13/24/16/180132416.db2.gz LGGYNANZIZRQFU-VXGBXAGGSA-N 1 3 266.410 2.046 10 0 CEAEHO C[C@@H]1c2ccsc2CC[N@@H+]1CC[C@@H]1CNCCO1 ZINC000091313966 180132417 /nfs/dbraw/zinc/13/24/17/180132417.db2.gz LGGYNANZIZRQFU-VXGBXAGGSA-N 1 3 266.410 2.046 10 0 CEAEHO CCC1CCC([N@H+](C)CC[C@@H]2CNCCO2)CC1 ZINC000091313875 180132965 /nfs/dbraw/zinc/13/29/65/180132965.db2.gz BBEXGRNVPGBBMP-YMAMQOFZSA-N 1 3 254.418 2.266 10 0 CEAEHO CCC1CCC([N@@H+](C)CC[C@@H]2CNCCO2)CC1 ZINC000091313875 180132966 /nfs/dbraw/zinc/13/29/66/180132966.db2.gz BBEXGRNVPGBBMP-YMAMQOFZSA-N 1 3 254.418 2.266 10 0 CEAEHO CC(C)[N@H+](CC[C@@H]1CNCCO1)Cc1ccccc1 ZINC000091313561 180133045 /nfs/dbraw/zinc/13/30/45/180133045.db2.gz ALKAZHCCAUWRBS-MRXNPFEDSA-N 1 3 262.397 2.276 10 0 CEAEHO CC(C)[N@@H+](CC[C@@H]1CNCCO1)Cc1ccccc1 ZINC000091313561 180133047 /nfs/dbraw/zinc/13/30/47/180133047.db2.gz ALKAZHCCAUWRBS-MRXNPFEDSA-N 1 3 262.397 2.276 10 0 CEAEHO CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H]2CCCC[C@@H]2N1 ZINC000091362725 180141836 /nfs/dbraw/zinc/14/18/36/180141836.db2.gz ITPSQYXSHUXUDS-UVPYHEFZSA-N 1 3 266.429 2.454 10 0 CEAEHO CC(C)n1cncc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000091273005 180117641 /nfs/dbraw/zinc/11/76/41/180117641.db2.gz JNCBCRKGKDKMCS-INIZCTEOSA-N 1 3 276.428 2.428 10 0 CEAEHO CCC[NH2+]CC[C@](C)(O)[C@@H]1NCCc2ccccc21 ZINC000091467548 180164361 /nfs/dbraw/zinc/16/43/61/180164361.db2.gz FQWSWZDQIIBPKB-CVEARBPZSA-N 1 3 262.397 2.014 10 0 CEAEHO CCC[C@](C)(C[NH2+]C(C)C)CN(C)CC1CC(O)C1 ZINC000091491132 180170274 /nfs/dbraw/zinc/17/02/74/180170274.db2.gz CLNHUPJUDXYUID-UYSNPLJNSA-N 1 3 270.461 2.494 10 0 CEAEHO CCC[C@H](CC[NH3+])CCC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000091393978 180145801 /nfs/dbraw/zinc/14/58/01/180145801.db2.gz XEMDASKPUORCDC-LSDHHAIUSA-N 1 3 283.460 2.084 10 0 CEAEHO CN(C)[C@H]1CCCN(C(=O)CC[C@@H](CC[NH3+])C(C)(C)C)C1 ZINC000091393711 180145813 /nfs/dbraw/zinc/14/58/13/180145813.db2.gz IEFBYBIYTPJYLN-GJZGRUSLSA-N 1 3 297.487 2.330 10 0 CEAEHO C[NH2+][C@H](C)C(C)(C)CN(CCN(C)C)CC(C)C ZINC000091403265 180147378 /nfs/dbraw/zinc/14/73/78/180147378.db2.gz CHEKEFFJFJHMNW-CQSZACIVSA-N 1 3 257.466 2.140 10 0 CEAEHO CC(C)(C(=O)Cc1c[nH+]ccc1N)N1CCCCCC1 ZINC000091567349 180195117 /nfs/dbraw/zinc/19/51/17/180195117.db2.gz MJHFSMKABMJRGS-UHFFFAOYSA-N 1 3 275.396 2.430 10 0 CEAEHO CCCn1ncnc1C[C@H]([NH3+])C(CC)(CC)N1CCCC1 ZINC000091634974 180211624 /nfs/dbraw/zinc/21/16/24/180211624.db2.gz RKMWSNLSDSPBDE-AWEZNQCLSA-N 1 3 293.459 2.213 10 0 CEAEHO CCN[C@@H](CC[NH+](CC)CC)Cc1ncnn1CC(C)C ZINC000091716358 180232532 /nfs/dbraw/zinc/23/25/32/180232532.db2.gz CROJKIOOLRARNG-HNNXBMFYSA-N 1 3 295.475 2.187 10 0 CEAEHO CC[NH2+][C@@H](CCN(CC)CC)Cc1ncnn1CC(C)C ZINC000091716358 180232534 /nfs/dbraw/zinc/23/25/34/180232534.db2.gz CROJKIOOLRARNG-HNNXBMFYSA-N 1 3 295.475 2.187 10 0 CEAEHO CCCN([C@@H](CC)C(=O)OCC)C1CCC([NH3+])CC1 ZINC000091852569 180272746 /nfs/dbraw/zinc/27/27/46/180272746.db2.gz IHOPKTWHAKSBQV-RUXDESIVSA-N 1 3 270.417 2.310 10 0 CEAEHO CCc1cc(CN(C)C2CCC([NH3+])CC2)n(CC)n1 ZINC000091846788 180270073 /nfs/dbraw/zinc/27/00/73/180270073.db2.gz WFPOIOXVFQTCCB-UHFFFAOYSA-N 1 3 264.417 2.167 10 0 CEAEHO C[C@H](C(=O)NC1CCCCC1)N(C)C1CCC([NH3+])CC1 ZINC000091847789 180271232 /nfs/dbraw/zinc/27/12/32/180271232.db2.gz MKEMYLAEYNRMBQ-DNOWBOINSA-N 1 3 281.444 2.026 10 0 CEAEHO CC[C@@H]1CCC[C@@](C[NH3+])(C2(O)CCN(CC)CC2)C1 ZINC000091906320 180283973 /nfs/dbraw/zinc/28/39/73/180283973.db2.gz UZVUMUDVECCQDF-HUUCEWRRSA-N 1 3 268.445 2.379 10 0 CEAEHO CC[N@H+](C[C@H]1COc2ccccc21)C1CCNCC1 ZINC000092304391 180359322 /nfs/dbraw/zinc/35/93/22/180359322.db2.gz AOJWMQKURVKJMS-ZDUSSCGKSA-N 1 3 260.381 2.237 10 0 CEAEHO CC[N@@H+](C[C@H]1COc2ccccc21)C1CCNCC1 ZINC000092304391 180359323 /nfs/dbraw/zinc/35/93/23/180359323.db2.gz AOJWMQKURVKJMS-ZDUSSCGKSA-N 1 3 260.381 2.237 10 0 CEAEHO CCCNc1ccnc(CN2CC[C@H]([NH+](C)C)C2)c1 ZINC000092419130 180381884 /nfs/dbraw/zinc/38/18/84/180381884.db2.gz DDXSIKOWSPPXME-HNNXBMFYSA-N 1 3 262.401 2.039 10 0 CEAEHO CCCNc1ccnc(CN(C)CC[NH+]2CCCC2)c1 ZINC000092419166 180382769 /nfs/dbraw/zinc/38/27/69/180382769.db2.gz UEJFHBIEARJXEN-UHFFFAOYSA-N 1 3 276.428 2.431 10 0 CEAEHO C[C@@H](N)c1c(F)cccc1N1CCC[C@H]1C[NH+](C)C ZINC000109571717 186263426 /nfs/dbraw/zinc/26/34/26/186263426.db2.gz WJJUEACOLQBSQL-NEPJUHHUSA-N 1 3 265.376 2.376 10 0 CEAEHO CN(C[C@@H]1CC[N@H+](C)C1)c1cc(CN)nc2ccccc21 ZINC000109589624 186265254 /nfs/dbraw/zinc/26/52/54/186265254.db2.gz VZSSUSXHWRWJPN-CYBMUJFWSA-N 1 3 284.407 2.081 10 0 CEAEHO CN(C[C@@H]1CC[N@@H+](C)C1)c1cc(CN)nc2ccccc21 ZINC000109589624 186265255 /nfs/dbraw/zinc/26/52/55/186265255.db2.gz VZSSUSXHWRWJPN-CYBMUJFWSA-N 1 3 284.407 2.081 10 0 CEAEHO CCCc1nc(N2CC[C@@H]([NH+]3CCCC3)C2)sc1CN ZINC000110275586 186289248 /nfs/dbraw/zinc/28/92/48/186289248.db2.gz FWLWIAWZRSLYHQ-GFCCVEGCSA-N 1 3 294.468 2.229 10 0 CEAEHO CCN1CCN([C@@H](C[NH3+])c2ccc(C)c(C)c2)C[C@@H]1C ZINC000110708638 186314885 /nfs/dbraw/zinc/31/48/85/186314885.db2.gz DHDIYBBJGXKFHE-RDJZCZTQSA-N 1 3 275.440 2.329 10 0 CEAEHO CC[C@H]1CN([C@@H](C[NH3+])c2ccc(SC)cc2)CCN1C ZINC000110711185 186315787 /nfs/dbraw/zinc/31/57/87/186315787.db2.gz DDSKHRLZKGKGOH-HOCLYGCPSA-N 1 3 293.480 2.434 10 0 CEAEHO CC[C@@H]1CN([C@@H]2CCc3ccccc3[C@@H]2[NH3+])CCN1C ZINC000110715224 186315940 /nfs/dbraw/zinc/31/59/40/186315940.db2.gz ROGZOVVTPFURRA-OIISXLGYSA-N 1 3 273.424 2.027 10 0 CEAEHO Cc1ccc(C)c([C@@H]([NH3+])CN2CCN(C)C(C)(C)C2)c1 ZINC000110716498 186316124 /nfs/dbraw/zinc/31/61/24/186316124.db2.gz KDKGQEYLJABZGJ-INIZCTEOSA-N 1 3 275.440 2.329 10 0 CEAEHO Cc1ccccc1[C@H]([NH3+])CCN1CCN(C)C(C)(C)C1 ZINC000110746762 186319472 /nfs/dbraw/zinc/31/94/72/186319472.db2.gz BNPWIUDHRUWHIW-MRXNPFEDSA-N 1 3 275.440 2.411 10 0 CEAEHO CC[C@H]1CN(C[C@@](C)(CC)C[NH2+]C(C)C)CCN1C ZINC000110746516 186319496 /nfs/dbraw/zinc/31/94/96/186319496.db2.gz FREQALNJFLMQSC-HOTGVXAUSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@H]1CN(CC(C)(C)C[NH2+]C(C)(C)C)CCN1C ZINC000110746639 186319568 /nfs/dbraw/zinc/31/95/68/186319568.db2.gz BADRINYJVJMZGP-AWEZNQCLSA-N 1 3 269.477 2.427 10 0 CEAEHO CC(C)[NH2+]CC(C)(C)CN1CCN(C)C(C)(C)C1 ZINC000110747339 186320215 /nfs/dbraw/zinc/32/02/15/186320215.db2.gz BSWRYQMSBHVKJX-UHFFFAOYSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[NH2+]Cc1cc(CN2CCN(C)[C@@H](CC)C2)c(C)o1 ZINC000110754464 186321049 /nfs/dbraw/zinc/32/10/49/186321049.db2.gz NLEZVEZKUWOPAW-HNNXBMFYSA-N 1 3 279.428 2.224 10 0 CEAEHO CC(C)[NH2+]C[C@@H](C(C)C)N1CCN(C)C(C)(C)C1 ZINC000110755126 186321407 /nfs/dbraw/zinc/32/14/07/186321407.db2.gz FBRBQQFJJRLWEQ-AWEZNQCLSA-N 1 3 255.450 2.035 10 0 CEAEHO CC(C)CC[C@H](C)[NH2+]CCN1CCN(C)[C@@H](C)C1 ZINC000110755631 186321652 /nfs/dbraw/zinc/32/16/52/186321652.db2.gz VMDJJDWCMVLCBC-GJZGRUSLSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[C@@H](C[NH2+]C(C)(C)C)N1CCN(C)C(C)(C)C1 ZINC000110755234 186321917 /nfs/dbraw/zinc/32/19/17/186321917.db2.gz JDAAEVPJGYSKIC-ZDUSSCGKSA-N 1 3 255.450 2.179 10 0 CEAEHO CC[NH2+][C@@H](C)c1sc(N(C)CCN(C)C)nc1C ZINC000111151318 186360693 /nfs/dbraw/zinc/36/06/93/186360693.db2.gz COJPSELPWANYOS-JTQLQIEISA-N 1 3 270.446 2.120 10 0 CEAEHO CC[C@H]([NH3+])[C@@H](c1ccc(C)cc1)N(C)CCN(C)C ZINC000111129600 186356264 /nfs/dbraw/zinc/35/62/64/186356264.db2.gz JTXPMJCBIQGUCU-JKSUJKDBSA-N 1 3 263.429 2.267 10 0 CEAEHO C[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(C)CCN(C)C ZINC000111130213 186356412 /nfs/dbraw/zinc/35/64/12/186356412.db2.gz XPBIEAFUARCZPF-RISCZKNCSA-N 1 3 269.820 2.222 10 0 CEAEHO CC[NH2+]Cc1cc2ccccc2nc1N(C)CCN(C)C ZINC000111140506 186357127 /nfs/dbraw/zinc/35/71/27/186357127.db2.gz YEGPTIKGDHGRNX-UHFFFAOYSA-N 1 3 286.423 2.342 10 0 CEAEHO CC[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)N(C)CCN(C)C ZINC000111134964 186357638 /nfs/dbraw/zinc/35/76/38/186357638.db2.gz ZXLJLINZGCNVPX-WMLDXEAASA-N 1 3 293.455 2.228 10 0 CEAEHO CCC[NH2+][C@@H]1CCCC[C@@H]1CN(C)CCN(C)C ZINC000111147382 186359335 /nfs/dbraw/zinc/35/93/35/186359335.db2.gz ZWBHOZSRHJAJJS-HUUCEWRRSA-N 1 3 255.450 2.038 10 0 CEAEHO CN(CCC[NH+](C)C)CC[C@H](N)c1ccccc1F ZINC000111147672 186359549 /nfs/dbraw/zinc/35/95/49/186359549.db2.gz HESWQURMFZZDFT-HNNXBMFYSA-N 1 3 267.392 2.099 10 0 CEAEHO CN[C@@H]1CCCC[C@H]1C[N@H+](C)CC1CCOCC1 ZINC000111172688 186365604 /nfs/dbraw/zinc/36/56/04/186365604.db2.gz MZIXGOHHNFXBMX-LSDHHAIUSA-N 1 3 254.418 2.123 10 0 CEAEHO CN[C@@H]1CCCC[C@H]1C[N@@H+](C)CC1CCOCC1 ZINC000111172688 186365605 /nfs/dbraw/zinc/36/56/05/186365605.db2.gz MZIXGOHHNFXBMX-LSDHHAIUSA-N 1 3 254.418 2.123 10 0 CEAEHO C[NH2+][C@@H]1CCCC[C@H]1CN(C)CC1CCOCC1 ZINC000111172688 186365607 /nfs/dbraw/zinc/36/56/07/186365607.db2.gz MZIXGOHHNFXBMX-LSDHHAIUSA-N 1 3 254.418 2.123 10 0 CEAEHO CCNC[C@@]1(C[NH+]2CCCCCC2)CCCOC1 ZINC000111323903 186397437 /nfs/dbraw/zinc/39/74/37/186397437.db2.gz GDNFYDYXWQQCMU-OAHLLOKOSA-N 1 3 254.418 2.269 10 0 CEAEHO CC[NH2+]C[C@@]1(CN2CCCCCC2)CCCOC1 ZINC000111323903 186397438 /nfs/dbraw/zinc/39/74/38/186397438.db2.gz GDNFYDYXWQQCMU-OAHLLOKOSA-N 1 3 254.418 2.269 10 0 CEAEHO CCN(Cc1ccccc1)C[C@@]1(C[NH3+])CCCOC1 ZINC000111324569 186398108 /nfs/dbraw/zinc/39/81/08/186398108.db2.gz UGXJOKPEDNGJRG-INIZCTEOSA-N 1 3 262.397 2.264 10 0 CEAEHO CC[N@H+](Cc1ccccc1)C[C@@]1(CN)CCCOC1 ZINC000111324569 186398110 /nfs/dbraw/zinc/39/81/10/186398110.db2.gz UGXJOKPEDNGJRG-INIZCTEOSA-N 1 3 262.397 2.264 10 0 CEAEHO CC[N@@H+](Cc1ccccc1)C[C@@]1(CN)CCCOC1 ZINC000111324569 186398111 /nfs/dbraw/zinc/39/81/11/186398111.db2.gz UGXJOKPEDNGJRG-INIZCTEOSA-N 1 3 262.397 2.264 10 0 CEAEHO CCN(Cc1ccccc1)C[C@]1(C[NH3+])CCCOC1 ZINC000111324566 186398159 /nfs/dbraw/zinc/39/81/59/186398159.db2.gz UGXJOKPEDNGJRG-MRXNPFEDSA-N 1 3 262.397 2.264 10 0 CEAEHO CC[N@H+](Cc1ccccc1)C[C@]1(CN)CCCOC1 ZINC000111324566 186398161 /nfs/dbraw/zinc/39/81/61/186398161.db2.gz UGXJOKPEDNGJRG-MRXNPFEDSA-N 1 3 262.397 2.264 10 0 CEAEHO CC[N@@H+](Cc1ccccc1)C[C@]1(CN)CCCOC1 ZINC000111324566 186398163 /nfs/dbraw/zinc/39/81/63/186398163.db2.gz UGXJOKPEDNGJRG-MRXNPFEDSA-N 1 3 262.397 2.264 10 0 CEAEHO CC(C)C[N@H+](C)C[C@]1(CNC2CC2)CCCOC1 ZINC000111324862 186398246 /nfs/dbraw/zinc/39/82/46/186398246.db2.gz RRDLYQSGPKUUKN-OAHLLOKOSA-N 1 3 254.418 2.123 10 0 CEAEHO CC(C)C[N@@H+](C)C[C@]1(CNC2CC2)CCCOC1 ZINC000111324862 186398248 /nfs/dbraw/zinc/39/82/48/186398248.db2.gz RRDLYQSGPKUUKN-OAHLLOKOSA-N 1 3 254.418 2.123 10 0 CEAEHO CC(C)CN(C)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111324862 186398250 /nfs/dbraw/zinc/39/82/50/186398250.db2.gz RRDLYQSGPKUUKN-OAHLLOKOSA-N 1 3 254.418 2.123 10 0 CEAEHO CC(C)C[NH2+]C[C@@]1(CN(C)C2CCOCC2)CCCOC1 ZINC000111325751 186398767 /nfs/dbraw/zinc/39/87/67/186398767.db2.gz KAZGXOARPVGJTB-QGZVFWFLSA-N 1 3 298.471 2.140 10 0 CEAEHO CCCN(C[C@]1(C[NH2+]CC)CCCOC1)C1CC1 ZINC000111324923 186398874 /nfs/dbraw/zinc/39/88/74/186398874.db2.gz DPKMHYWGDLUEBJ-OAHLLOKOSA-N 1 3 254.418 2.267 10 0 CEAEHO CCC[N@H+](C[C@]1(CNCC)CCCOC1)C1CC1 ZINC000111324923 186398876 /nfs/dbraw/zinc/39/88/76/186398876.db2.gz DPKMHYWGDLUEBJ-OAHLLOKOSA-N 1 3 254.418 2.267 10 0 CEAEHO CCC[N@@H+](C[C@]1(CNCC)CCCOC1)C1CC1 ZINC000111324923 186398878 /nfs/dbraw/zinc/39/88/78/186398878.db2.gz DPKMHYWGDLUEBJ-OAHLLOKOSA-N 1 3 254.418 2.267 10 0 CEAEHO CNC[C@@]1(C[N@H+](C)[C@@H](C)C(C)(C)C)CCCOC1 ZINC000111326335 186399094 /nfs/dbraw/zinc/39/90/94/186399094.db2.gz XDVLTWIHYMRMNQ-DZGCQCFKSA-N 1 3 256.434 2.369 10 0 CEAEHO CNC[C@@]1(C[N@@H+](C)[C@@H](C)C(C)(C)C)CCCOC1 ZINC000111326335 186399096 /nfs/dbraw/zinc/39/90/96/186399096.db2.gz XDVLTWIHYMRMNQ-DZGCQCFKSA-N 1 3 256.434 2.369 10 0 CEAEHO C[NH2+]C[C@@]1(CN(C)[C@@H](C)C(C)(C)C)CCCOC1 ZINC000111326335 186399098 /nfs/dbraw/zinc/39/90/98/186399098.db2.gz XDVLTWIHYMRMNQ-DZGCQCFKSA-N 1 3 256.434 2.369 10 0 CEAEHO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccccc1CN1CCCC1 ZINC000111267026 186382499 /nfs/dbraw/zinc/38/24/99/186382499.db2.gz OLZVKNVVVJHJRY-HIFRSBDPSA-N 1 3 287.407 2.076 10 0 CEAEHO CC(C)[C@H](C)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562379 351415987 /nfs/dbraw/zinc/41/59/87/351415987.db2.gz MOJMMNJIPIFHKS-AXFHLTTASA-N 1 3 252.324 2.490 10 0 CEAEHO CCC[C@H](C(=O)NCC[C@H](C)[NH+]1CCCCC1)N(C)C ZINC000183102469 368610303 /nfs/dbraw/zinc/61/03/03/368610303.db2.gz UZZHSQKJUHLMTC-LSDHHAIUSA-N 1 3 283.460 2.097 10 0 CEAEHO C[C@@H]1[C@H](N[C@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000261549252 371643968 /nfs/dbraw/zinc/64/39/68/371643968.db2.gz OKYAYGMRFVEIPI-BPQIPLTHSA-N 1 3 287.451 2.381 10 0 CEAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc4ncccc4c3)C[C@@H]12 ZINC000261765170 371723581 /nfs/dbraw/zinc/72/35/81/371723581.db2.gz OCTVSOGPCIZWNQ-ARFHVFGLSA-N 1 3 267.376 2.404 10 0 CEAEHO CCC[C@@]1(COC)CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000261801887 371735086 /nfs/dbraw/zinc/73/50/86/371735086.db2.gz GYHIHOJCWNPMMY-CABCVRRESA-N 1 3 254.418 2.267 10 0 CEAEHO CCC[C@@]1(COC)CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000261801887 371735093 /nfs/dbraw/zinc/73/50/93/371735093.db2.gz GYHIHOJCWNPMMY-CABCVRRESA-N 1 3 254.418 2.267 10 0 CEAEHO [NH3+]CC[C@@H](Nc1ccnc2ccccc21)C(F)F ZINC000383433092 321847729 /nfs/dbraw/zinc/84/77/29/321847729.db2.gz ICWATPOWLFNXOH-GFCCVEGCSA-N 1 3 251.280 2.051 10 0 CEAEHO CC[NH2+][C@@H]1[C@H](N2CCN(C)C(C)(C)C2)CCC1(C)C ZINC000094306168 184778435 /nfs/dbraw/zinc/77/84/35/184778435.db2.gz MAFFORWJWTXAFB-ZIAGYGMSSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H](C)N1CCN([C@]2(C[NH3+])CSCC(C)(C)C2)CC1 ZINC000094489501 184809053 /nfs/dbraw/zinc/80/90/53/184809053.db2.gz OKFHGYPFMHJHTQ-GOEBONIOSA-N 1 3 299.528 2.263 10 0 CEAEHO C[C@H](N)c1c(F)cccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091394746 135068905 /nfs/dbraw/zinc/06/89/05/135068905.db2.gz DLBSHIHXCHYDAD-RYUDHWBXSA-N 1 3 265.376 2.376 10 0 CEAEHO [NH3+][C@H]1CC[C@H](CN2CCN(c3ccccc3F)CC2)C1 ZINC000091539832 135071834 /nfs/dbraw/zinc/07/18/34/135071834.db2.gz SPXAQKBSWTWBAK-KBPBESRZSA-N 1 3 277.387 2.075 10 0 CEAEHO C[C@@H]([NH3+])Cc1cc(F)ccc1N1CCN2CCCC[C@@H]2C1 ZINC000094444549 135088938 /nfs/dbraw/zinc/08/89/38/135088938.db2.gz OTGLWJMBUGMPGN-CZUORRHYSA-N 1 3 291.414 2.390 10 0 CEAEHO COc1ccccc1C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414833159 394760011 /nfs/dbraw/zinc/76/00/11/394760011.db2.gz RCGRUBJTSAMYDO-NTQSIJHJSA-N 1 3 274.408 2.499 10 0 CEAEHO CC(C)C[C@H](CN(C)C)NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000165344938 162343551 /nfs/dbraw/zinc/34/35/51/162343551.db2.gz SVQJTKQBTGIWME-GDBMZVCRSA-N 1 3 297.487 2.105 10 0 CEAEHO [NH3+]C[C@@H](c1ccccc1Cl)N1CCN(CC2CC2)CC1 ZINC000020179624 171044336 /nfs/dbraw/zinc/04/43/36/171044336.db2.gz ISTSJGAFVOECPU-INIZCTEOSA-N 1 3 293.842 2.367 10 0 CEAEHO Cc1ccc([C@@H](C[NH3+])N2CCN(CC3CC3)CC2)cc1 ZINC000020179488 171044444 /nfs/dbraw/zinc/04/44/44/171044444.db2.gz YYHYMVOKUHZCOI-QGZVFWFLSA-N 1 3 273.424 2.022 10 0 CEAEHO CC[C@@H]([NH3+])Cc1ccc(OC)cc1OCCN1CCCC1 ZINC000040905443 174431149 /nfs/dbraw/zinc/43/11/49/174431149.db2.gz GLUMYEGTFMOHDF-OAHLLOKOSA-N 1 3 292.423 2.450 10 0 CEAEHO FC(F)(F)CO[C@H]1CCC[C@@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000043326962 175008867 /nfs/dbraw/zinc/00/88/67/175008867.db2.gz PDPFFFYNZBEROV-UTUOFQBUSA-N 1 3 280.334 2.218 10 0 CEAEHO CC[NH2+][C@@H](CN1CCCN(C)CC1)c1ccc(C)cc1 ZINC000043818300 175112900 /nfs/dbraw/zinc/11/29/00/175112900.db2.gz IOGNDAVZLTZDQH-KRWDZBQOSA-N 1 3 275.440 2.283 10 0 CEAEHO CCC[NH2+][C@@H]1CCCCC[C@@H]1N1CCCN(C)CC1 ZINC000043818526 175113355 /nfs/dbraw/zinc/11/33/55/175113355.db2.gz DLAXFWGAKYGDHE-CVEARBPZSA-N 1 3 267.461 2.325 10 0 CEAEHO CC[NH2+][C@H]1CCCCC[C@@H]1N1CCN(C(C)C)CC1 ZINC000043897063 175119884 /nfs/dbraw/zinc/11/98/84/175119884.db2.gz SQQQYMDFPPJUKM-HOTGVXAUSA-N 1 3 267.461 2.323 10 0 CEAEHO CCC[NH2+][C@@H](CC)[C@@H](C)N1CCN(C(C)C)CC1 ZINC000043897189 175120168 /nfs/dbraw/zinc/12/01/68/175120168.db2.gz IJNPSYUXCVISCI-CABCVRRESA-N 1 3 255.450 2.179 10 0 CEAEHO C[NH2+][C@@H](CN1CCN(C(C)(C)C)CC1)C(C)(C)C ZINC000043965459 175126672 /nfs/dbraw/zinc/12/66/72/175126672.db2.gz GBHPYWRSQNCEMC-ZDUSSCGKSA-N 1 3 255.450 2.037 10 0 CEAEHO CCC[NH2+][C@H](CN1CCN(CC2CC2)CC1)C(C)(C)C ZINC000043967992 175128812 /nfs/dbraw/zinc/12/88/12/175128812.db2.gz DCNLKUOUPAXDLM-MRXNPFEDSA-N 1 3 281.488 2.428 10 0 CEAEHO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CCN(CC2CC2)CC1 ZINC000043967920 175129232 /nfs/dbraw/zinc/12/92/32/175129232.db2.gz CSULSQHHWBWVLF-XIRDDKMYSA-N 1 3 279.472 2.181 10 0 CEAEHO CCC[NH2+][C@H]1CCCC[C@H]1N1CCN(CC2CC2)CC1 ZINC000043968019 175129332 /nfs/dbraw/zinc/12/93/32/175129332.db2.gz XSOFNQGZLBOTCR-DLBZAZTESA-N 1 3 279.472 2.325 10 0 CEAEHO CC[NH+]1CCC([C@H](C)NCc2cc(C)no2)CC1 ZINC000044986357 175284726 /nfs/dbraw/zinc/28/47/26/175284726.db2.gz GONGKJWOXJNPEQ-LBPRGKRZSA-N 1 3 251.374 2.193 10 0 CEAEHO CC[NH+]1CCC([C@@H](C)NCc2cc(C)no2)CC1 ZINC000044986354 175284778 /nfs/dbraw/zinc/28/47/78/175284778.db2.gz GONGKJWOXJNPEQ-GFCCVEGCSA-N 1 3 251.374 2.193 10 0 CEAEHO CC[C@@H]1CCC[C@](CN)([N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC000071124944 176035136 /nfs/dbraw/zinc/03/51/36/176035136.db2.gz UVLLSRNCUIABGT-ZBFHGGJFSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@@H]1CCC[C@](CN)([N@H+]2CCN(C)C(C)(C)C2)C1 ZINC000071124944 176035138 /nfs/dbraw/zinc/03/51/38/176035138.db2.gz UVLLSRNCUIABGT-ZBFHGGJFSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@@H]1CCC[C@](C[NH3+])(N2CCN(C)C(C)(C)C2)C1 ZINC000071124944 176035139 /nfs/dbraw/zinc/03/51/39/176035139.db2.gz UVLLSRNCUIABGT-ZBFHGGJFSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@@H](N)[C@H]([N@H+](C)C[C@@H]1CCN(C)C1)C(C)(C)C ZINC000071187975 176061643 /nfs/dbraw/zinc/06/16/43/176061643.db2.gz AQSSEPRIXDAHRB-MCIONIFRSA-N 1 3 255.450 2.022 10 0 CEAEHO CC[C@@H](N)[C@H]([N@@H+](C)C[C@@H]1CCN(C)C1)C(C)(C)C ZINC000071187975 176061645 /nfs/dbraw/zinc/06/16/45/176061645.db2.gz AQSSEPRIXDAHRB-MCIONIFRSA-N 1 3 255.450 2.022 10 0 CEAEHO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(F)cc1CNC1CC1 ZINC000071190074 176065635 /nfs/dbraw/zinc/06/56/35/176065635.db2.gz SXLHKUUIESOCIT-CYBMUJFWSA-N 1 3 291.414 2.466 10 0 CEAEHO CN(C[C@@H]1CC[N@@H+](C)C1)c1ccc(F)cc1CNC1CC1 ZINC000071190074 176065637 /nfs/dbraw/zinc/06/56/37/176065637.db2.gz SXLHKUUIESOCIT-CYBMUJFWSA-N 1 3 291.414 2.466 10 0 CEAEHO CC(C)NCc1occc1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191896 176071789 /nfs/dbraw/zinc/07/17/89/176071789.db2.gz WDXJGNUDPDSKMF-CQSZACIVSA-N 1 3 279.428 2.161 10 0 CEAEHO CC(C)NCc1occc1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191896 176071791 /nfs/dbraw/zinc/07/17/91/176071791.db2.gz WDXJGNUDPDSKMF-CQSZACIVSA-N 1 3 279.428 2.161 10 0 CEAEHO CN(Cc1ccc(F)cc1C[NH3+])[C@@H]1CCSC1 ZINC000071250304 176095100 /nfs/dbraw/zinc/09/51/00/176095100.db2.gz ZCKXUBLTAOMLED-CYBMUJFWSA-N 1 3 254.374 2.222 10 0 CEAEHO CC(C)[C@@H](CN(C)C)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071401193 176153574 /nfs/dbraw/zinc/15/35/74/176153574.db2.gz QQEGKOFHSVSNQA-HZPDHXFCSA-N 1 3 291.439 2.169 10 0 CEAEHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](C)[C@@H]1CCCO1 ZINC000251173285 278216737 /nfs/dbraw/zinc/21/67/37/278216737.db2.gz FPLUFQRGWUCLEG-KBXIAJHMSA-N 1 3 254.418 2.454 10 0 CEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000185343092 278969250 /nfs/dbraw/zinc/96/92/50/278969250.db2.gz MPIVQLIXOOAFLY-HNNXBMFYSA-N 1 3 297.487 2.378 10 0 CEAEHO CC(C)CN1CCN(C2(CC(C)C)CC[NH2+]CC2)CC1 ZINC000536956082 330383223 /nfs/dbraw/zinc/38/32/23/330383223.db2.gz XNRGFMXHJMWZEZ-UHFFFAOYSA-N 1 3 281.488 2.428 10 0 CEAEHO CC(C)C[C@H](CN(C)C)[NH2+]CC[C@H]1CCCCN1C ZINC000052206059 519339750 /nfs/dbraw/zinc/33/97/50/519339750.db2.gz PVXWKZBFROIWRC-HZPDHXFCSA-N 1 3 269.477 2.427 10 0 CEAEHO CC(C)CN(CCN(C)C)[C@@H](C)CC[NH2+]C(C)C ZINC000052503421 519717018 /nfs/dbraw/zinc/71/70/18/519717018.db2.gz KMFASMYMSIIKRD-HNNXBMFYSA-N 1 3 257.466 2.283 10 0 CEAEHO CC(C)[NH2+]Cc1cccc(OCCOCCN(C)C)c1 ZINC000052669672 519727271 /nfs/dbraw/zinc/72/72/71/519727271.db2.gz WTBFTTNYPSSHMB-UHFFFAOYSA-N 1 3 280.412 2.142 10 0 CEAEHO CCCN1CCN([C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000055015116 519859795 /nfs/dbraw/zinc/85/97/95/519859795.db2.gz QOZXCLRSXLFIIL-INIZCTEOSA-N 1 3 261.413 2.104 10 0 CEAEHO CCC[NH2+]C[C@@H](CC)N1CCN(CC(C)C)CC1 ZINC000055083000 519921094 /nfs/dbraw/zinc/92/10/94/519921094.db2.gz IDUZXMLBBIUXQI-OAHLLOKOSA-N 1 3 255.450 2.038 10 0 CEAEHO CCC[NH2+]C[C@@H](CC)N1CCN(C(C)(C)C)CC1 ZINC000052571586 519921380 /nfs/dbraw/zinc/92/13/80/519921380.db2.gz DEJJRCWGLGZJTK-CQSZACIVSA-N 1 3 255.450 2.181 10 0 CEAEHO CCC[NH2+][C@@H](CC)[C@@H](C)N(CCC)CCN(C)C ZINC000045688144 519992602 /nfs/dbraw/zinc/99/26/02/519992602.db2.gz PWNZUABODFWWBS-CABCVRRESA-N 1 3 257.466 2.427 10 0 CEAEHO CC[NH2+]Cc1coc(CN(CCOC)CC(C)C)c1 ZINC000052508615 520017715 /nfs/dbraw/zinc/01/77/15/520017715.db2.gz WCZCDOBMZPBIST-UHFFFAOYSA-N 1 3 268.401 2.494 10 0 CEAEHO CCO[C@@H](C[NH3+])CCN1CCc2sccc2[C@@H]1C ZINC000062741181 520309816 /nfs/dbraw/zinc/30/98/16/520309816.db2.gz YSQOCAUNTBUQSG-NWDGAFQWSA-N 1 3 268.426 2.421 10 0 CEAEHO CC(C)C[C@H](CN(C)C)NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050943328 519334841 /nfs/dbraw/zinc/33/48/41/519334841.db2.gz WZEWCSBCJOAWQJ-LSDHHAIUSA-N 1 3 283.460 2.001 10 0 CEAEHO CC(C)[NH2+]C[C@H]1CC[C@@H](CN(C)CCc2ccccn2)O1 ZINC000052423980 519725419 /nfs/dbraw/zinc/72/54/19/519725419.db2.gz AZTUILDTVROBRO-SJORKVTESA-N 1 3 291.439 2.102 10 0 CEAEHO CC(C)CN1CCN([C@H]2CCc3ccccc3[C@H]2[NH3+])CC1 ZINC000055078903 519728277 /nfs/dbraw/zinc/72/82/77/519728277.db2.gz AHDIIXOERVOXAN-ZWKOTPCHSA-N 1 3 287.451 2.275 10 0 CEAEHO CC(C)CN1CCN(c2nc(C3CC3)c(C[NH3+])s2)CC1 ZINC000069181974 519729027 /nfs/dbraw/zinc/72/90/27/519729027.db2.gz FVXRHWMUYXPGJG-UHFFFAOYSA-N 1 3 294.468 2.257 10 0 CEAEHO CC(C)C[NH2+]Cc1coc(CN2CCCN(C)CC2)c1 ZINC000052424292 519748510 /nfs/dbraw/zinc/74/85/10/519748510.db2.gz HVLNLJZDOQAIQR-UHFFFAOYSA-N 1 3 279.428 2.163 10 0 CEAEHO CCCN1CCC(CN)([N@@H+]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000050563975 519842261 /nfs/dbraw/zinc/84/22/61/519842261.db2.gz XVXDKVPDMNZEPU-CABCVRRESA-N 1 3 267.461 2.310 10 0 CEAEHO CCCN1CCC(CN)([N@H+]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000050563975 519842264 /nfs/dbraw/zinc/84/22/64/519842264.db2.gz XVXDKVPDMNZEPU-CABCVRRESA-N 1 3 267.461 2.310 10 0 CEAEHO CCCN1CCN([C@H](CC)C[NH2+]C(C)(C)C)CC1 ZINC000052421781 519859604 /nfs/dbraw/zinc/85/96/04/519859604.db2.gz SMCJJNYMTDKRDA-CQSZACIVSA-N 1 3 255.450 2.181 10 0 CEAEHO CC[NH2+]CCC(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000061286854 519916437 /nfs/dbraw/zinc/91/64/37/519916437.db2.gz NBYZCMQCHXNRRM-MRXNPFEDSA-N 1 3 291.439 2.185 10 0 CEAEHO CC[NH2+]C[C@@H](OC1CCN(C)CC1)c1ccccc1 ZINC000052596940 519945898 /nfs/dbraw/zinc/94/58/98/519945898.db2.gz OMVGMJIDXSCGKL-MRXNPFEDSA-N 1 3 262.397 2.448 10 0 CEAEHO CCC[NH2+]Cc1ccccc1CN(C)CCOC ZINC000052572958 519956159 /nfs/dbraw/zinc/95/61/59/519956159.db2.gz YWNIHPKFHLVJBO-UHFFFAOYSA-N 1 3 250.386 2.264 10 0 CEAEHO CC[NH2+][C@H](C)CC(=O)Nc1ccc(CN(C)C)cc1 ZINC000061271127 520169786 /nfs/dbraw/zinc/16/97/86/520169786.db2.gz DBPNHJFIRRTTQN-GFCCVEGCSA-N 1 3 263.385 2.075 10 0 CEAEHO CCCC[NH2+]C[C@@H](C)N1CCN(CC(C)C)CC1 ZINC000055075928 520690974 /nfs/dbraw/zinc/69/09/74/520690974.db2.gz YLIVAMNIYKKACS-OAHLLOKOSA-N 1 3 255.450 2.038 10 0 CEAEHO CCC[C@@](C)(C[NH3+])CN1CCN(CC(C)C)CC1 ZINC000055081816 520908841 /nfs/dbraw/zinc/90/88/41/520908841.db2.gz PLFVJQPBTLPKHT-HNNXBMFYSA-N 1 3 255.450 2.025 10 0 CEAEHO CCCN(CCN(C)C)c1nc2c(s1)[C@H]([NH3+])CCC2 ZINC000054897706 521658548 /nfs/dbraw/zinc/65/85/48/521658548.db2.gz XMWZSZYEXLRCSO-LLVKDONJSA-N 1 3 282.457 2.257 10 0 CEAEHO CCCN(CCN(C)C)c1ncc([C@H](C)[NH2+]C)s1 ZINC000054908153 521658700 /nfs/dbraw/zinc/65/87/00/521658700.db2.gz JWIVUGSERYQRTC-NSHDSACASA-N 1 3 270.446 2.202 10 0 CEAEHO CCCN(CCN(C)C)c1ncc(C[NH2+]C(C)C)s1 ZINC000054908135 521658755 /nfs/dbraw/zinc/65/87/55/521658755.db2.gz SJDAJZBHHHUGGF-UHFFFAOYSA-N 1 3 284.473 2.419 10 0 CEAEHO CCN1CCN(CC[NH2+][C@H](C)CCC(C)C)CC1 ZINC000053344810 521683919 /nfs/dbraw/zinc/68/39/19/521683919.db2.gz OFSYIFBWXMDEJA-OAHLLOKOSA-N 1 3 255.450 2.038 10 0 CEAEHO C[NH+](C)CCOCc1cc(CNC(C)(C)C)co1 ZINC000052669763 521794632 /nfs/dbraw/zinc/79/46/32/521794632.db2.gz ZHCOFHDOBKQNTQ-UHFFFAOYSA-N 1 3 254.374 2.246 10 0 CEAEHO C[NH2+]C[C@@H](c1ccccc1)N1CCN(C(C)(C)C)CC1 ZINC000052571709 522037758 /nfs/dbraw/zinc/03/77/58/522037758.db2.gz VABFIZHUMKVIDC-INIZCTEOSA-N 1 3 275.440 2.363 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000055083601 522123966 /nfs/dbraw/zinc/12/39/66/522123966.db2.gz FZPKVPVLUCKWHC-NVXWUHKLSA-N 1 3 275.440 2.277 10 0 CEAEHO CC[C@@H](C)N1CCN(Cc2cc(F)ccc2C[NH3+])CC1 ZINC000069401560 522125875 /nfs/dbraw/zinc/12/58/75/522125875.db2.gz OKUGHVMIPGNSQQ-CYBMUJFWSA-N 1 3 279.403 2.201 10 0 CEAEHO CNCc1cccnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000051448241 522139438 /nfs/dbraw/zinc/13/94/38/522139438.db2.gz AZSDUGBTQFIOPE-UHFFFAOYSA-N 1 3 288.439 2.256 10 0 CEAEHO C[NH2+][C@H]1CCCc2nc(N(C)C3CCN(C)CC3)sc21 ZINC000054899500 522499492 /nfs/dbraw/zinc/49/94/92/522499492.db2.gz ZNHUJWIWQBAGJM-LBPRGKRZSA-N 1 3 294.468 2.270 10 0 CEAEHO CN[C@H]1COc2cc(OCCC[NH+]3CCCC3)ccc21 ZINC000062804004 522508724 /nfs/dbraw/zinc/50/87/24/522508724.db2.gz IBQIZACTTHOJAS-HNNXBMFYSA-N 1 3 276.380 2.204 10 0 CEAEHO CN(C[C@H]1CC[N@H+](C)C1)[C@@H](CN)c1cc2ccccc2o1 ZINC000068812039 523139082 /nfs/dbraw/zinc/13/90/82/523139082.db2.gz ZBXASBARTODUNI-ZFWWWQNUSA-N 1 3 287.407 2.316 10 0 CEAEHO CN(C[C@H]1CC[N@@H+](C)C1)[C@@H](CN)c1cc2ccccc2o1 ZINC000068812039 523139084 /nfs/dbraw/zinc/13/90/84/523139084.db2.gz ZBXASBARTODUNI-ZFWWWQNUSA-N 1 3 287.407 2.316 10 0 CEAEHO CN(c1nc2c(s1)[C@@H]([NH3+])CCC2)C1CCN(C)CC1 ZINC000054864023 523664677 /nfs/dbraw/zinc/66/46/77/523664677.db2.gz YOEMGWMHIQOVGU-NSHDSACASA-N 1 3 280.441 2.010 10 0 CEAEHO CC[C@H](C)N1CCN(C2(C[NH3+])CCC(C)CC2)CC1 ZINC000055064746 523953217 /nfs/dbraw/zinc/95/32/17/523953217.db2.gz QMCPHJFQBVJRDT-PCKAHOCUSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000055065456 523955705 /nfs/dbraw/zinc/95/57/05/523955705.db2.gz RHULKWJCLUWLLF-YOEHRIQHSA-N 1 3 291.439 2.111 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C[NH3+])c2ccccc2OC)CC1 ZINC000055063643 523959127 /nfs/dbraw/zinc/95/91/27/523959127.db2.gz FCWROGPQROWBMC-GOEBONIOSA-N 1 3 291.439 2.111 10 0 CEAEHO CC[C@H](C)N1CCN([C@H]([C@@H](C)[NH3+])C(C)(C)C)CC1 ZINC000055063986 523959146 /nfs/dbraw/zinc/95/91/46/523959146.db2.gz ADYPYGYCJFHNGZ-BFHYXJOUSA-N 1 3 255.450 2.164 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C[NH3+])c2ccsc2)CC1 ZINC000055063652 523959448 /nfs/dbraw/zinc/95/94/48/523959448.db2.gz CLZQVZCDGXNQEP-GXTWGEPZSA-N 1 3 267.442 2.164 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000055063997 523959581 /nfs/dbraw/zinc/95/95/81/523959581.db2.gz KCECECIUHPOVGD-XJKSGUPXSA-N 1 3 279.403 2.242 10 0 CEAEHO C[N@@H+]1CC[C@H](CNCc2cccc3cnccc32)C1 ZINC000061125337 523981009 /nfs/dbraw/zinc/98/10/09/523981009.db2.gz QFGUPHWJKBNLEC-CYBMUJFWSA-N 1 3 255.365 2.276 10 0 CEAEHO C[N@H+]1CC[C@H](CNCc2cccc3cnccc32)C1 ZINC000061125337 523981011 /nfs/dbraw/zinc/98/10/11/523981011.db2.gz QFGUPHWJKBNLEC-CYBMUJFWSA-N 1 3 255.365 2.276 10 0 CEAEHO NC(=[NH2+])C[C@H](c1ccccc1)N(CCO)C1CCCC1 ZINC000055023331 526817566 /nfs/dbraw/zinc/81/75/66/526817566.db2.gz PALJHXFPXCCPIC-OAHLLOKOSA-N 1 3 275.396 2.291 10 0 CEAEHO Cc1nc(N(CCN(C)C)CC(C)C)sc1[C@@H](C)[NH3+] ZINC000054896611 526953424 /nfs/dbraw/zinc/95/34/24/526953424.db2.gz HUZJYWWXNJOSNC-LLVKDONJSA-N 1 3 284.473 2.495 10 0 CEAEHO [NH3+]C[C@H]1CC[C@@H](CN(Cc2ccsc2)C2CC2)O1 ZINC000052542054 527239729 /nfs/dbraw/zinc/23/97/29/527239729.db2.gz WGNCLXZGZHEWGX-KGLIPLIRSA-N 1 3 266.410 2.219 10 0 CEAEHO NCc1c(Cl)cccc1OCC[NH+]1CCCC1 ZINC000052904906 527244116 /nfs/dbraw/zinc/24/41/16/527244116.db2.gz NHFUZJQGTGKSJA-UHFFFAOYSA-N 1 3 254.761 2.273 10 0 CEAEHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000309932782 628168330 /nfs/dbraw/zinc/16/83/30/628168330.db2.gz WZLAKURBYHXWJM-MLHJIOFPSA-N 1 3 286.419 2.276 10 0 CEAEHO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@@H]1CN ZINC000089150628 632292873 /nfs/dbraw/zinc/29/28/73/632292873.db2.gz CLEXVVSCXPSZKM-UXIGCNINSA-N 1 3 250.361 2.474 10 0 CEAEHO C[C@@H]1CCC[C@@H](c2cncn2CCC[NH+](C)C)N1 ZINC000097010940 185151993 /nfs/dbraw/zinc/15/19/93/185151993.db2.gz GTKMLBMAJBXFBB-OLZOCXBDSA-N 1 3 250.390 2.038 10 0 CEAEHO c1cc(NCC[NH+]2CCCC2)c2cc3c(cc2n1)OCO3 ZINC000113373235 344276909 /nfs/dbraw/zinc/27/69/09/344276909.db2.gz XMIFCKFUILAXAX-UHFFFAOYSA-N 1 3 285.347 2.471 10 0 CEAEHO CN(Cc1cc(F)cc(F)c1)CC1CC[NH2+]CC1 ZINC000097904691 529979812 /nfs/dbraw/zinc/97/98/12/529979812.db2.gz ICVDVKDRLIJDGN-UHFFFAOYSA-N 1 3 254.324 2.396 10 0 CEAEHO c1cc2c(cc1N1CCNCC1)CC[N@H+](C1CCC1)CC2 ZINC000165781742 344474995 /nfs/dbraw/zinc/47/49/95/344474995.db2.gz ROURIHRSAJSFEQ-UHFFFAOYSA-N 1 3 285.435 2.049 10 0 CEAEHO c1cc2c(cc1N1CCNCC1)CC[N@@H+](C1CCC1)CC2 ZINC000165781742 344474996 /nfs/dbraw/zinc/47/49/96/344474996.db2.gz ROURIHRSAJSFEQ-UHFFFAOYSA-N 1 3 285.435 2.049 10 0 CEAEHO CC[C@H](C[NH3+])N1CCN(C2CCC(CC)CC2)CC1 ZINC000085070176 178947084 /nfs/dbraw/zinc/94/70/84/178947084.db2.gz SENASPPKFGQYSN-HWOWSKLDSA-N 1 3 267.461 2.310 10 0 CEAEHO C[C@]1(C2CC2)C[N@H+](CCCOCC(F)(F)F)CCCN1 ZINC000085613221 179102508 /nfs/dbraw/zinc/10/25/08/179102508.db2.gz ZBKOMDCVYQHMGT-CYBMUJFWSA-N 1 3 294.361 2.419 10 0 CEAEHO C[C@]1(C2CC2)C[N@@H+](CCCOCC(F)(F)F)CCCN1 ZINC000085613221 179102510 /nfs/dbraw/zinc/10/25/10/179102510.db2.gz ZBKOMDCVYQHMGT-CYBMUJFWSA-N 1 3 294.361 2.419 10 0 CEAEHO C[C@]1(C2CC2)CN(CCCOCC(F)(F)F)CCC[NH2+]1 ZINC000085613221 179102512 /nfs/dbraw/zinc/10/25/12/179102512.db2.gz ZBKOMDCVYQHMGT-CYBMUJFWSA-N 1 3 294.361 2.419 10 0 CEAEHO CC(C)OCCN1CC2(CCCC2)[NH2+]CC[C@@H]1C ZINC000085623129 179105843 /nfs/dbraw/zinc/10/58/43/179105843.db2.gz NWPBFHVLYGIZLP-AWEZNQCLSA-N 1 3 254.418 2.408 10 0 CEAEHO CC(C)OCC[N@@H+]1CC2(CCCC2)NCC[C@@H]1C ZINC000085623129 179105846 /nfs/dbraw/zinc/10/58/46/179105846.db2.gz NWPBFHVLYGIZLP-AWEZNQCLSA-N 1 3 254.418 2.408 10 0 CEAEHO CC(C)OCC[N@H+]1CC2(CCCC2)NCC[C@@H]1C ZINC000085623129 179105848 /nfs/dbraw/zinc/10/58/48/179105848.db2.gz NWPBFHVLYGIZLP-AWEZNQCLSA-N 1 3 254.418 2.408 10 0 CEAEHO C[C@@H]1CC[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CCCO1 ZINC000085623663 179105897 /nfs/dbraw/zinc/10/58/97/179105897.db2.gz YCYSHJBBKDOSIJ-VHDGCEQUSA-N 1 3 252.402 2.018 10 0 CEAEHO C[C@@H]1CCN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085623663 179105899 /nfs/dbraw/zinc/10/58/99/179105899.db2.gz YCYSHJBBKDOSIJ-VHDGCEQUSA-N 1 3 252.402 2.018 10 0 CEAEHO C[C@@H]1CCN[C@@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085623663 179105900 /nfs/dbraw/zinc/10/59/00/179105900.db2.gz YCYSHJBBKDOSIJ-VHDGCEQUSA-N 1 3 252.402 2.018 10 0 CEAEHO CC[N@@H+]1CC[C@@H](CN2CCN[C@@](C)(c3ccccc3)C2)C1 ZINC000086141824 179236535 /nfs/dbraw/zinc/23/65/35/179236535.db2.gz SELLJXXBAFUDGE-SJLPKXTDSA-N 1 3 287.451 2.149 10 0 CEAEHO CC[N@H+]1CC[C@@H](CN2CCN[C@@](C)(c3ccccc3)C2)C1 ZINC000086141824 179236536 /nfs/dbraw/zinc/23/65/36/179236536.db2.gz SELLJXXBAFUDGE-SJLPKXTDSA-N 1 3 287.451 2.149 10 0 CEAEHO CC(C)[C@@H]1C[N@@H+]([C@@H]2CN3CCC2CC3)[C@H](C(C)C)CN1 ZINC000086152541 179240722 /nfs/dbraw/zinc/24/07/22/179240722.db2.gz AJKJHOUKSZEKIO-YESZJQIVSA-N 1 3 279.472 2.035 10 0 CEAEHO CC(C)[C@@H]1C[N@H+]([C@@H]2CN3CCC2CC3)[C@H](C(C)C)CN1 ZINC000086152541 179240724 /nfs/dbraw/zinc/24/07/24/179240724.db2.gz AJKJHOUKSZEKIO-YESZJQIVSA-N 1 3 279.472 2.035 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCN(CC)C1 ZINC000086223000 179250622 /nfs/dbraw/zinc/25/06/22/179250622.db2.gz MFKFJXXQPKMTJK-DJIMGWMZSA-N 1 3 279.472 2.181 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(C2CC2)C[N@H+]1C[C@@H]1CCN(CC)C1 ZINC000086223000 179250623 /nfs/dbraw/zinc/25/06/23/179250623.db2.gz MFKFJXXQPKMTJK-DJIMGWMZSA-N 1 3 279.472 2.181 10 0 CEAEHO C[C@H]1C[NH2+]C2(CCCCC2)CN1C[C@@H]1CCCCN1C ZINC000086259326 179257761 /nfs/dbraw/zinc/25/77/61/179257761.db2.gz HYWHHBMJVWYXIV-HOTGVXAUSA-N 1 3 279.472 2.467 10 0 CEAEHO CC(C)[C@H]1CN[C@H](C2CC2)C[N@@H+]1C[C@@H]1CCCCN1C ZINC000086259322 179258114 /nfs/dbraw/zinc/25/81/14/179258114.db2.gz QRDHGLOZGBZUOS-YESZJQIVSA-N 1 3 279.472 2.179 10 0 CEAEHO CC(C)[C@H]1CN[C@H](C2CC2)C[N@H+]1C[C@@H]1CCCCN1C ZINC000086259322 179258115 /nfs/dbraw/zinc/25/81/15/179258115.db2.gz QRDHGLOZGBZUOS-YESZJQIVSA-N 1 3 279.472 2.179 10 0 CEAEHO CC(C)[C@@H]1CNC2(CCCC2)C[N@@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259673 179259375 /nfs/dbraw/zinc/25/93/75/179259375.db2.gz OITQSJXSBPMXSJ-SJORKVTESA-N 1 3 291.483 2.466 10 0 CEAEHO CC(C)[C@@H]1CNC2(CCCC2)C[N@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259673 179259376 /nfs/dbraw/zinc/25/93/76/179259376.db2.gz OITQSJXSBPMXSJ-SJORKVTESA-N 1 3 291.483 2.466 10 0 CEAEHO CC(C)[C@@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259673 179259378 /nfs/dbraw/zinc/25/93/78/179259378.db2.gz OITQSJXSBPMXSJ-SJORKVTESA-N 1 3 291.483 2.466 10 0 CEAEHO CC(C)(C)[C@H]1C[N@H+](CC[C@@H]2CCCO2)CCCN1 ZINC000086291401 179265111 /nfs/dbraw/zinc/26/51/11/179265111.db2.gz MRKQTFLBUNMGMW-UONOGXRCSA-N 1 3 254.418 2.266 10 0 CEAEHO CC(C)(C)[C@H]1C[N@@H+](CC[C@@H]2CCCO2)CCCN1 ZINC000086291401 179265113 /nfs/dbraw/zinc/26/51/13/179265113.db2.gz MRKQTFLBUNMGMW-UONOGXRCSA-N 1 3 254.418 2.266 10 0 CEAEHO CC(C)(C)[C@H]1CN(CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291401 179265115 /nfs/dbraw/zinc/26/51/15/179265115.db2.gz MRKQTFLBUNMGMW-UONOGXRCSA-N 1 3 254.418 2.266 10 0 CEAEHO CN1CC[C@@H](C[N@@H+]2CCCN[C@](C)(c3ccccc3)C2)C1 ZINC000086288710 179264910 /nfs/dbraw/zinc/26/49/10/179264910.db2.gz SFYMIWCCSALFJB-AEFFLSMTSA-N 1 3 287.451 2.149 10 0 CEAEHO CN1CC[C@@H](C[N@H+]2CCCN[C@](C)(c3ccccc3)C2)C1 ZINC000086288710 179264912 /nfs/dbraw/zinc/26/49/12/179264912.db2.gz SFYMIWCCSALFJB-AEFFLSMTSA-N 1 3 287.451 2.149 10 0 CEAEHO CN1CC[C@@H](C[N@@H+]2CCCN[C@@](C)(c3ccccc3)C2)C1 ZINC000086288709 179265033 /nfs/dbraw/zinc/26/50/33/179265033.db2.gz SFYMIWCCSALFJB-SJLPKXTDSA-N 1 3 287.451 2.149 10 0 CEAEHO CN1CC[C@@H](C[N@H+]2CCCN[C@@](C)(c3ccccc3)C2)C1 ZINC000086288709 179265034 /nfs/dbraw/zinc/26/50/34/179265034.db2.gz SFYMIWCCSALFJB-SJLPKXTDSA-N 1 3 287.451 2.149 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(CC)C[N@@H+]1CC1CCN(C)CC1 ZINC000086259052 179256928 /nfs/dbraw/zinc/25/69/28/179256928.db2.gz LPIZUJNNCSGGQP-CVEARBPZSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(CC)C[N@H+]1CC1CCN(C)CC1 ZINC000086259052 179256929 /nfs/dbraw/zinc/25/69/29/179256929.db2.gz LPIZUJNNCSGGQP-CVEARBPZSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@@H](C)[C@@H]1CN(C[C@@H]2CCCCN2C)CCC[NH2+]1 ZINC000086291657 179266969 /nfs/dbraw/zinc/26/69/69/179266969.db2.gz LMBVTENBKFTTNN-PMPSAXMXSA-N 1 3 267.461 2.181 10 0 CEAEHO CN[C@@H]1CCCc2sc(N(C)[C@@H]3CCC[N@H+](C)C3)nc21 ZINC000086443085 179293851 /nfs/dbraw/zinc/29/38/51/179293851.db2.gz ZEPFILAZKXIPHG-VXGBXAGGSA-N 1 3 294.468 2.270 10 0 CEAEHO CN[C@@H]1CCCc2sc(N(C)[C@@H]3CCC[N@@H+](C)C3)nc21 ZINC000086443085 179293854 /nfs/dbraw/zinc/29/38/54/179293854.db2.gz ZEPFILAZKXIPHG-VXGBXAGGSA-N 1 3 294.468 2.270 10 0 CEAEHO CC(C)N1CCC[C@@H]([NH2+]CCCn2ccnc2)CC1 ZINC000086837157 179351535 /nfs/dbraw/zinc/35/15/35/179351535.db2.gz AIUBWRADBQHKIV-OAHLLOKOSA-N 1 3 264.417 2.126 10 0 CEAEHO CCCN1CCC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000086845899 179354503 /nfs/dbraw/zinc/35/45/03/179354503.db2.gz FPRBVMUXTRXBNZ-JYJNAYRXSA-N 1 3 268.445 2.392 10 0 CEAEHO C[N@H+](Cc1cccc(F)c1)[C@]1(CN)CCCOCC1 ZINC000086874875 179364817 /nfs/dbraw/zinc/36/48/17/179364817.db2.gz KHZNFAXJDUWXSJ-OAHLLOKOSA-N 1 3 266.360 2.156 10 0 CEAEHO C[N@@H+](Cc1cccc(F)c1)[C@]1(CN)CCCOCC1 ZINC000086874875 179364818 /nfs/dbraw/zinc/36/48/18/179364818.db2.gz KHZNFAXJDUWXSJ-OAHLLOKOSA-N 1 3 266.360 2.156 10 0 CEAEHO CC(C)N1CCN([C@@]2(C[NH3+])CCC[C@@H](C)CC2)CC1 ZINC000086890707 179366341 /nfs/dbraw/zinc/36/63/41/179366341.db2.gz XNUVWRVDFYMQAB-CVEARBPZSA-N 1 3 267.461 2.310 10 0 CEAEHO CN1CCN(CC2(CC(N)=[NH2+])CC2)[C@H](c2ccccc2)C1 ZINC000088258120 179571750 /nfs/dbraw/zinc/57/17/50/179571750.db2.gz FOXGZOVXXCHADX-HNNXBMFYSA-N 1 3 286.423 2.081 10 0 CEAEHO C[NH2+]C[C@@]1(CN2CCC(CO)CC2)CCC[C@@H](C)C1 ZINC000089612839 179829618 /nfs/dbraw/zinc/82/96/18/179829618.db2.gz XWUUNRFJEZSWJP-GDBMZVCRSA-N 1 3 268.445 2.107 10 0 CEAEHO CCCNCc1cncn1C[C@@H](C)C[NH+]1CCCC1 ZINC000090242420 179939351 /nfs/dbraw/zinc/93/93/51/179939351.db2.gz JFTOTSCEKHIGDN-AWEZNQCLSA-N 1 3 264.417 2.115 10 0 CEAEHO CC(C)N(CCC[NH3+])C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090879150 180052668 /nfs/dbraw/zinc/05/26/68/180052668.db2.gz DDXBHFKXUXFSQP-AWEZNQCLSA-N 1 3 266.360 2.188 10 0 CEAEHO CC(C)CN(CCC[NH3+])C[C@H]1Cc2cc(F)ccc2O1 ZINC000090879179 180053163 /nfs/dbraw/zinc/05/31/63/180053163.db2.gz PKMLMISBEBAKQB-OAHLLOKOSA-N 1 3 280.387 2.436 10 0 CEAEHO CC(C)C[N@H+](CCCN)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090879179 180053167 /nfs/dbraw/zinc/05/31/67/180053167.db2.gz PKMLMISBEBAKQB-OAHLLOKOSA-N 1 3 280.387 2.436 10 0 CEAEHO CC(C)C[N@@H+](CCCN)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090879179 180053169 /nfs/dbraw/zinc/05/31/69/180053169.db2.gz PKMLMISBEBAKQB-OAHLLOKOSA-N 1 3 280.387 2.436 10 0 CEAEHO Nc1ccsc1C[NH2+]CCCN1CCCCC1 ZINC000090959133 180075643 /nfs/dbraw/zinc/07/56/43/180075643.db2.gz YZXDBAMKFXQZHH-UHFFFAOYSA-N 1 3 253.415 2.296 10 0 CEAEHO CCC[C@@H](C[NH3+])N1CCN(C[C@H]2Cc3ccccc32)CC1 ZINC000090976050 180078652 /nfs/dbraw/zinc/07/86/52/180078652.db2.gz AXYDWAVCCGOMTD-SJORKVTESA-N 1 3 287.451 2.071 10 0 CEAEHO CC[N@@H+]1CCC[C@H]1CNCc1c[nH]c2ncccc12 ZINC000091016170 180087286 /nfs/dbraw/zinc/08/72/86/180087286.db2.gz VUEVBLUOEPUJSG-ZDUSSCGKSA-N 1 3 258.369 2.137 10 0 CEAEHO CC[N@H+]1CCC[C@H]1CNCc1c[nH]c2ncccc12 ZINC000091016170 180087287 /nfs/dbraw/zinc/08/72/87/180087287.db2.gz VUEVBLUOEPUJSG-ZDUSSCGKSA-N 1 3 258.369 2.137 10 0 CEAEHO C[C@@H](c1cccs1)[N@H+](C)CC[C@@H]1CNCCO1 ZINC000091313899 180132665 /nfs/dbraw/zinc/13/26/65/180132665.db2.gz OMCJZCBYQFCZQU-NWDGAFQWSA-N 1 3 254.399 2.119 10 0 CEAEHO C[C@@H](c1cccs1)[N@@H+](C)CC[C@@H]1CNCCO1 ZINC000091313899 180132666 /nfs/dbraw/zinc/13/26/66/180132666.db2.gz OMCJZCBYQFCZQU-NWDGAFQWSA-N 1 3 254.399 2.119 10 0 CEAEHO CC(C)n1cncc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000091273018 180117774 /nfs/dbraw/zinc/11/77/74/180117774.db2.gz MFSHYKGSRSPSEU-LBPRGKRZSA-N 1 3 250.390 2.023 10 0 CEAEHO C[NH2+][C@H](c1ccccc1)[C@H](C)CN(C)CC1CC(O)C1 ZINC000091489230 180168837 /nfs/dbraw/zinc/16/88/37/180168837.db2.gz STMNKRIXFVCRSA-LYSZQXJVSA-N 1 3 276.424 2.286 10 0 CEAEHO CC[C@@H]1CCC[C@@](CN)([N@@H+]2CCC[C@H](N(C)C)C2)C1 ZINC000091393872 180145498 /nfs/dbraw/zinc/14/54/98/180145498.db2.gz WEMHLKKFOIESNN-OWCLPIDISA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@@H]1CCC[C@@](CN)([N@H+]2CCC[C@H](N(C)C)C2)C1 ZINC000091393872 180145500 /nfs/dbraw/zinc/14/55/00/180145500.db2.gz WEMHLKKFOIESNN-OWCLPIDISA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@@H](C)N1CCN(CC(C)(C)[C@H](C)[NH2+]C)CC1 ZINC000091404650 180147260 /nfs/dbraw/zinc/14/72/60/180147260.db2.gz PRKSOUSUYKABIU-KGLIPLIRSA-N 1 3 255.450 2.037 10 0 CEAEHO CCCN(CCN(C)C)CC(C)(C)[C@@H](C)[NH2+]CC ZINC000091403882 180147272 /nfs/dbraw/zinc/14/72/72/180147272.db2.gz KTDRVEUHJGETDU-CQSZACIVSA-N 1 3 257.466 2.284 10 0 CEAEHO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cccc(CN3CCCC3)c2)C1 ZINC000091548865 180188387 /nfs/dbraw/zinc/18/83/87/180188387.db2.gz CPCBRSSPTQVZBP-LSDHHAIUSA-N 1 3 287.407 2.348 10 0 CEAEHO CC[NH2+][C@@H](Cc1cnccc1N)C1(N(C)C)CCCC1 ZINC000091637959 180212445 /nfs/dbraw/zinc/21/24/45/180212445.db2.gz PKNLSHSFDQDXSF-HNNXBMFYSA-N 1 3 276.428 2.059 10 0 CEAEHO CCN[C@@H](CC[NH+](CC)CC)Cc1cnn(CC)c1 ZINC000091716478 180232212 /nfs/dbraw/zinc/23/22/12/180232212.db2.gz VNGJQYJRDIKYMP-HNNXBMFYSA-N 1 3 266.433 2.156 10 0 CEAEHO CC[NH2+][C@@H](CCN(CC)CC)Cc1cnn(CC)c1 ZINC000091716478 180232214 /nfs/dbraw/zinc/23/22/14/180232214.db2.gz VNGJQYJRDIKYMP-HNNXBMFYSA-N 1 3 266.433 2.156 10 0 CEAEHO C[NH2+]C1CCC(N(C)Cc2cncn2C(C)C)CC1 ZINC000091871222 180277433 /nfs/dbraw/zinc/27/74/33/180277433.db2.gz GPFRWKBQXNAVJU-UHFFFAOYSA-N 1 3 264.417 2.426 10 0 CEAEHO CCCC(C[NH3+])(CCC)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000092002289 180304704 /nfs/dbraw/zinc/30/47/04/180304704.db2.gz NAYAXCTWDCUUHR-CABCVRRESA-N 1 3 295.471 2.227 10 0 CEAEHO C[C@H]1C[N@H+](CCCC(=O)Nc2cccc(CN)c2)C[C@H]1C ZINC000092082224 180319869 /nfs/dbraw/zinc/31/98/69/180319869.db2.gz DBEOERFLYPRFHY-OKILXGFUSA-N 1 3 289.423 2.452 10 0 CEAEHO C[C@H]1C[N@@H+](CCCC(=O)Nc2cccc(CN)c2)C[C@H]1C ZINC000092082224 180319872 /nfs/dbraw/zinc/31/98/72/180319872.db2.gz DBEOERFLYPRFHY-OKILXGFUSA-N 1 3 289.423 2.452 10 0 CEAEHO CCN(CC)Cc1ccccc1NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092203741 180343399 /nfs/dbraw/zinc/34/33/99/180343399.db2.gz AOTCVCJMZFVAII-DZGCQCFKSA-N 1 3 287.407 2.370 10 0 CEAEHO CSC1(C[NH3+])CCN(C[C@@H]2COc3ccccc32)CC1 ZINC000092298945 180358427 /nfs/dbraw/zinc/35/84/27/180358427.db2.gz VWDDZQXPXXFITP-CYBMUJFWSA-N 1 3 292.448 2.319 10 0 CEAEHO CCC[NH2+][C@@H](C)CCc1nc(CCN(CC)CC)no1 ZINC000109496265 186256302 /nfs/dbraw/zinc/25/63/02/186256302.db2.gz CJGCXWRDQCZZNK-ZDUSSCGKSA-N 1 3 282.432 2.275 10 0 CEAEHO CNCc1cc(N2CCC[N@H+](C)CC2)c2ccccc2n1 ZINC000109587670 186264192 /nfs/dbraw/zinc/26/41/92/186264192.db2.gz XZPFDALHRPBEIG-UHFFFAOYSA-N 1 3 284.407 2.096 10 0 CEAEHO CNCc1cc(N2CCC[N@@H+](C)CC2)c2ccccc2n1 ZINC000109587670 186264194 /nfs/dbraw/zinc/26/41/94/186264194.db2.gz XZPFDALHRPBEIG-UHFFFAOYSA-N 1 3 284.407 2.096 10 0 CEAEHO COC(=O)C[C@H]1CCCCN1[C@@H](CC[NH3+])c1ccccc1 ZINC000109604158 186268139 /nfs/dbraw/zinc/26/81/39/186268139.db2.gz MTINICOKYCEVRE-CVEARBPZSA-N 1 3 290.407 2.494 10 0 CEAEHO CN(C[C@@H]1CC[N@H+](C)C1)c1cccc(Cl)c1CN ZINC000110459600 186297002 /nfs/dbraw/zinc/29/70/02/186297002.db2.gz IOFFOPVWDWDOGK-LLVKDONJSA-N 1 3 267.804 2.187 10 0 CEAEHO CN(C[C@@H]1CC[N@@H+](C)C1)c1cccc(Cl)c1CN ZINC000110459600 186297004 /nfs/dbraw/zinc/29/70/04/186297004.db2.gz IOFFOPVWDWDOGK-LLVKDONJSA-N 1 3 267.804 2.187 10 0 CEAEHO Cc1cccc([C@@H](C[NH3+])N2CCN(C)C(C)(C)C2)c1 ZINC000110704714 186314083 /nfs/dbraw/zinc/31/40/83/186314083.db2.gz UQQQEDVDVVNXHW-OAHLLOKOSA-N 1 3 261.413 2.021 10 0 CEAEHO CC[C@@H]1CN([C@@H]2CCCCCC[C@@H]2[NH2+]C)CCN1C ZINC000110716105 186316118 /nfs/dbraw/zinc/31/61/18/186316118.db2.gz KCPLTJZELKCTLE-OWCLPIDISA-N 1 3 267.461 2.323 10 0 CEAEHO Cc1ccc([C@@H]([NH3+])[C@@H](C)N2CCN(C)C(C)(C)C2)cc1 ZINC000110716407 186316394 /nfs/dbraw/zinc/31/63/94/186316394.db2.gz ITWLNTWQYGAOBM-ZBFHGGJFSA-N 1 3 275.440 2.409 10 0 CEAEHO CCN1CCN(CC2(C[NH2+]C)CCCCC2)C[C@@H]1C ZINC000110745645 186318644 /nfs/dbraw/zinc/31/86/44/186318644.db2.gz JUSLRBURHWVZTC-HNNXBMFYSA-N 1 3 267.461 2.182 10 0 CEAEHO CC[NH2+]C[C@@H](c1ccccc1)N1CCN(C)[C@@H](CC)C1 ZINC000110754551 186320406 /nfs/dbraw/zinc/32/04/06/186320406.db2.gz MIQJMEKDJSJYIZ-IRXDYDNUSA-N 1 3 275.440 2.363 10 0 CEAEHO C[NH2+]Cc1sc(N(C)CCN(C)C)nc1C(C)(C)C ZINC000111151859 186360891 /nfs/dbraw/zinc/36/08/91/186360891.db2.gz DAWRKQBJHPCYBZ-UHFFFAOYSA-N 1 3 284.473 2.158 10 0 CEAEHO CC[C@@H]([NH3+])[C@@H](c1ccccc1F)N(C)CCN(C)C ZINC000111129691 186355880 /nfs/dbraw/zinc/35/58/80/186355880.db2.gz IGXCMAVIJRQSCT-HUUCEWRRSA-N 1 3 267.392 2.098 10 0 CEAEHO CC[C@H]([C@@H](N)c1ccccc1)N(C)CCC[NH+](C)C ZINC000111136097 186357091 /nfs/dbraw/zinc/35/70/91/186357091.db2.gz BXEQNXKERCSSSV-CVEARBPZSA-N 1 3 263.429 2.349 10 0 CEAEHO C[NH2+][C@H](CN(C)CCN(C)C)c1ccc(C)c(C)c1 ZINC000111134409 186357287 /nfs/dbraw/zinc/35/72/87/186357287.db2.gz OCVSMAWVXDPVCC-MRXNPFEDSA-N 1 3 263.429 2.057 10 0 CEAEHO CN(C)CCN(C)C[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000111134663 186357745 /nfs/dbraw/zinc/35/77/45/186357745.db2.gz FPKCGOVFRWIIEB-YYUOFMGYSA-N 1 3 279.472 2.024 10 0 CEAEHO CC(C)[NH2+]Cc1cccc(OCCN(C)CCN(C)C)c1 ZINC000111149537 186358372 /nfs/dbraw/zinc/35/83/72/186358372.db2.gz RXVVOGYEDQDNEZ-UHFFFAOYSA-N 1 3 293.455 2.057 10 0 CEAEHO CC(C)C[NH2+]Cc1cnc(N(C)CCN(C)C)c(Cl)c1 ZINC000111149030 186358913 /nfs/dbraw/zinc/35/89/13/186358913.db2.gz INTAGIFVAYMDFK-UHFFFAOYSA-N 1 3 298.862 2.478 10 0 CEAEHO CC[NH2+][C@H](c1ccccc1)[C@@H](C)CN(C)CCN(C)C ZINC000111147466 186359591 /nfs/dbraw/zinc/35/95/91/186359591.db2.gz UZJQCVSFOGKJAE-RDJZCZTQSA-N 1 3 277.456 2.467 10 0 CEAEHO CC(C)NCc1ccoc1CN(C)CCC[NH+](C)C ZINC000111150178 186359975 /nfs/dbraw/zinc/35/99/75/186359975.db2.gz RUKLIGAEZFKGCJ-UHFFFAOYSA-N 1 3 267.417 2.161 10 0 CEAEHO CC(C)C[NH2+]Cc1ccccc1CN(C)CCN(C)C ZINC000111149803 186360183 /nfs/dbraw/zinc/36/01/83/186360183.db2.gz IQEOIILGYVKAPW-UHFFFAOYSA-N 1 3 277.456 2.426 10 0 CEAEHO C[N@H+](C[C@@H]1CCCOC1)CC(C)(C)CNC1CC1 ZINC000111171475 186365698 /nfs/dbraw/zinc/36/56/98/186365698.db2.gz RRKSDEICSHNDRD-ZDUSSCGKSA-N 1 3 254.418 2.123 10 0 CEAEHO C[N@@H+](C[C@@H]1CCCOC1)CC(C)(C)CNC1CC1 ZINC000111171475 186365700 /nfs/dbraw/zinc/36/57/00/186365700.db2.gz RRKSDEICSHNDRD-ZDUSSCGKSA-N 1 3 254.418 2.123 10 0 CEAEHO CN(C[C@@H]1CCCOC1)CC(C)(C)C[NH2+]C1CC1 ZINC000111171475 186365702 /nfs/dbraw/zinc/36/57/02/186365702.db2.gz RRKSDEICSHNDRD-ZDUSSCGKSA-N 1 3 254.418 2.123 10 0 CEAEHO CC(C)(C)[NH2+]C[C@@]1(CN2CCCC2)CCCOC1 ZINC000111323654 186396591 /nfs/dbraw/zinc/39/65/91/186396591.db2.gz HKEKLWFUEWXPLW-OAHLLOKOSA-N 1 3 254.418 2.267 10 0 CEAEHO [NH3+]C[C@@H]([C@@H]1CCCOC1)N1CCCc2ccccc2C1 ZINC000111321251 186397303 /nfs/dbraw/zinc/39/73/03/186397303.db2.gz CHIPBBBWLACGJF-SJORKVTESA-N 1 3 274.408 2.189 10 0 CEAEHO CCNC[C@@]1(C[N@H+](C)[C@@H](C)C(C)C)CCCOC1 ZINC000111325456 186398472 /nfs/dbraw/zinc/39/84/72/186398472.db2.gz DBVXUIUELQRZIX-LSDHHAIUSA-N 1 3 256.434 2.369 10 0 CEAEHO CCNC[C@@]1(C[N@@H+](C)[C@@H](C)C(C)C)CCCOC1 ZINC000111325456 186398474 /nfs/dbraw/zinc/39/84/74/186398474.db2.gz DBVXUIUELQRZIX-LSDHHAIUSA-N 1 3 256.434 2.369 10 0 CEAEHO CCN(C[C@]1(C[NH2+]C2CC2)CCCOC1)C1CC1 ZINC000111324686 186398487 /nfs/dbraw/zinc/39/84/87/186398487.db2.gz SHQLNLVCPGMJGI-OAHLLOKOSA-N 1 3 252.402 2.020 10 0 CEAEHO CC[N@H+](C[C@]1(CNC2CC2)CCCOC1)C1CC1 ZINC000111324686 186398489 /nfs/dbraw/zinc/39/84/89/186398489.db2.gz SHQLNLVCPGMJGI-OAHLLOKOSA-N 1 3 252.402 2.020 10 0 CEAEHO CC[N@@H+](C[C@]1(CNC2CC2)CCCOC1)C1CC1 ZINC000111324686 186398490 /nfs/dbraw/zinc/39/84/90/186398490.db2.gz SHQLNLVCPGMJGI-OAHLLOKOSA-N 1 3 252.402 2.020 10 0 CEAEHO CCC[NH2+]C[C@@]1(CN(CCC)CCN(C)C)CCCOC1 ZINC000111327469 186399194 /nfs/dbraw/zinc/39/91/94/186399194.db2.gz ZTPXJUZVMYULIY-QGZVFWFLSA-N 1 3 299.503 2.056 10 0 CEAEHO C[C@H](NC[C@@H]1Cc2ccccc2CO1)[C@H]1CCC[NH2+]C1 ZINC000629514566 351384026 /nfs/dbraw/zinc/38/40/26/351384026.db2.gz RPINNBFQUUZCMI-QRTARXTBSA-N 1 3 274.408 2.106 10 0 CEAEHO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)[C@H]1CCCNC1 ZINC000629514566 351384028 /nfs/dbraw/zinc/38/40/28/351384028.db2.gz RPINNBFQUUZCMI-QRTARXTBSA-N 1 3 274.408 2.106 10 0 CEAEHO CO[C@@H]1CN(CCC(C)(C)C2CC2)[C@](C)(C[NH3+])C1 ZINC000630369559 351714427 /nfs/dbraw/zinc/71/44/27/351714427.db2.gz WJHCKBUZBGMYIT-ZFWWWQNUSA-N 1 3 254.418 2.251 10 0 CEAEHO C[C@H]1CN(CCSc2ccccc2)C[C@@H]1C[NH3+] ZINC000631840214 367581476 /nfs/dbraw/zinc/58/14/76/367581476.db2.gz ASJAQVGCMHGQES-STQMWFEESA-N 1 3 250.411 2.305 10 0 CEAEHO O[C@@H]1C[C@@H](c2ccc(F)c(F)c2)N(CC2CC[NH2+]CC2)C1 ZINC000262025072 371802861 /nfs/dbraw/zinc/80/28/61/371802861.db2.gz WOCWNZYLNNRQDS-CJNGLKHVSA-N 1 3 296.361 2.072 10 0 CEAEHO COc1ccc([C@H](C)CN2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000262044567 371811549 /nfs/dbraw/zinc/81/15/49/371811549.db2.gz PNWHHDZNPQQOIH-PBHICJAKSA-N 1 3 274.408 2.484 10 0 CEAEHO C[C@H](NCCN(C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000520793843 379503787 /nfs/dbraw/zinc/50/37/87/379503787.db2.gz LMRGSNMODHOYFS-RDJZCZTQSA-N 1 3 275.440 2.096 10 0 CEAEHO CC[NH2+][C@]1(CO)CCC[C@@H]1CCN(C)CCC(F)(F)F ZINC000093618246 184696616 /nfs/dbraw/zinc/69/66/16/184696616.db2.gz RXHKLNWITOSIMC-OLZOCXBDSA-N 1 3 296.377 2.401 10 0 CEAEHO CN[C@@]1(CO)CCC[C@@H]([NH+]2CCCCCCC2)C1 ZINC000093781790 184720232 /nfs/dbraw/zinc/72/02/32/184720232.db2.gz VBQZCOTYCWBBOS-CABCVRRESA-N 1 3 254.418 2.146 10 0 CEAEHO CCCC1CC[NH+]([C@@H]2CCC[C@](N)(CO)C2)CC1 ZINC000093780906 184720266 /nfs/dbraw/zinc/72/02/66/184720266.db2.gz LKRGLCGGMZRXGF-HUUCEWRRSA-N 1 3 254.418 2.131 10 0 CEAEHO CCCC1CCN([C@@H]2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000093780906 184720267 /nfs/dbraw/zinc/72/02/67/184720267.db2.gz LKRGLCGGMZRXGF-HUUCEWRRSA-N 1 3 254.418 2.131 10 0 CEAEHO C[NH+](C)[C@@H]1CCCN(c2ccc(Cl)cc2CN)C1 ZINC000091393823 135068820 /nfs/dbraw/zinc/06/88/20/135068820.db2.gz FDGSDVCCCPEMGW-CYBMUJFWSA-N 1 3 267.804 2.329 10 0 CEAEHO Cc1ccc(C[NH3+])c(N2CCN3CCCC[C@@H]3C2)c1 ZINC000094438322 135088024 /nfs/dbraw/zinc/08/80/24/135088024.db2.gz LZDABSBXSANODL-OAHLLOKOSA-N 1 3 259.397 2.128 10 0 CEAEHO CC[NH2+]Cc1ccnc(N2C[C@@H]3CCCCN3C[C@@H]2C)c1 ZINC000094443268 135088444 /nfs/dbraw/zinc/08/84/44/135088444.db2.gz CDSDCCZCGPVAAF-HOCLYGCPSA-N 1 3 288.439 2.254 10 0 CEAEHO C[C@H](O)C[N@@H+]1CCN(c2ccnc3ccccc32)C[C@@H]1C ZINC000246248983 394512457 /nfs/dbraw/zinc/51/24/57/394512457.db2.gz SJHZBMAITTVDSP-KBPBESRZSA-N 1 3 285.391 2.126 10 0 CEAEHO C[C@H](O)C[N@H+]1CCN(c2ccnc3ccccc32)C[C@@H]1C ZINC000246248983 394512461 /nfs/dbraw/zinc/51/24/61/394512461.db2.gz SJHZBMAITTVDSP-KBPBESRZSA-N 1 3 285.391 2.126 10 0 CEAEHO C[C@H](NCCc1cccc(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000415095254 394887901 /nfs/dbraw/zinc/88/79/01/394887901.db2.gz ZELHZDARFHDNBV-AAEUAGOBSA-N 1 3 252.789 2.470 10 0 CEAEHO COCC[C@@H](C)[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000380945974 395170533 /nfs/dbraw/zinc/17/05/33/395170533.db2.gz COLKMNMBBJJHBG-BMFZPTHFSA-N 1 3 262.397 2.086 10 0 CEAEHO COCC[C@@H](C)[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000380945974 395170536 /nfs/dbraw/zinc/17/05/36/395170536.db2.gz COLKMNMBBJJHBG-BMFZPTHFSA-N 1 3 262.397 2.086 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(C[C@H]3CCC4(CCCC4)O3)C[C@@H]12 ZINC000389156001 400537102 /nfs/dbraw/zinc/53/71/02/400537102.db2.gz YAIFTVRPCIQIOW-KBUPBQIOSA-N 1 3 264.413 2.147 10 0 CEAEHO CN(C)Cc1ccccc1C[NH2+][C@@H]1CCSC1 ZINC000020128569 171015313 /nfs/dbraw/zinc/01/53/13/171015313.db2.gz URHYWNSPTNWCCP-CQSZACIVSA-N 1 3 250.411 2.343 10 0 CEAEHO CN(C)CC(C)(C)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000037301928 173107592 /nfs/dbraw/zinc/10/75/92/173107592.db2.gz AAYOYEOVLJVXPK-UHFFFAOYSA-N 1 3 264.369 2.093 10 0 CEAEHO CCN(CC)CC[NH2+]C[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000040669620 174367873 /nfs/dbraw/zinc/36/78/73/174367873.db2.gz HKVCVCJPAFVAAY-CVEARBPZSA-N 1 3 269.477 2.428 10 0 CEAEHO CCN(CC)CC[NH2+]C[C@]1(N(C)C)CCC[C@H](C)C1 ZINC000040669616 174368176 /nfs/dbraw/zinc/36/81/76/174368176.db2.gz HKVCVCJPAFVAAY-HOTGVXAUSA-N 1 3 269.477 2.428 10 0 CEAEHO C[C@H](CC(N)=S)[NH+]1CCC(N2CCCCC2)CC1 ZINC000040694056 174377889 /nfs/dbraw/zinc/37/78/89/174377889.db2.gz LVUBOFFZCOGAIN-GFCCVEGCSA-N 1 3 269.458 2.001 10 0 CEAEHO CN1CCC(OC(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000041019137 174451740 /nfs/dbraw/zinc/45/17/40/174451740.db2.gz CQSNJLMKONKQDA-OAHLLOKOSA-N 1 3 276.380 2.104 10 0 CEAEHO C[NH2+][C@H]1CCCCCC[C@@H]1N(C)C1CCN(C)CC1 ZINC000043815198 175111532 /nfs/dbraw/zinc/11/15/32/175111532.db2.gz SCWLORNUSLFJRL-HOTGVXAUSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[NH2+][C@H](CN1CCN(C(C)C)CC1)c1ccccc1 ZINC000043897043 175119732 /nfs/dbraw/zinc/11/97/32/175119732.db2.gz GZDZEJFDFZBRLB-QGZVFWFLSA-N 1 3 275.440 2.363 10 0 CEAEHO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000045171441 175321197 /nfs/dbraw/zinc/32/11/97/175321197.db2.gz RQRRCUOPBLFXED-RISCZKNCSA-N 1 3 276.428 2.172 10 0 CEAEHO CC(C)N[C@@](C)(CCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379755 175369499 /nfs/dbraw/zinc/36/94/99/175369499.db2.gz JEQMJRIWEDMLLU-LZWOXQAQSA-N 1 3 283.460 2.272 10 0 CEAEHO CC(C)N[C@@](C)(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379755 175369501 /nfs/dbraw/zinc/36/95/01/175369501.db2.gz JEQMJRIWEDMLLU-LZWOXQAQSA-N 1 3 283.460 2.272 10 0 CEAEHO CCC[N@H+](CCCC[C@@](C)(NC1CC1)C(N)=O)C(C)C ZINC000045385920 175372314 /nfs/dbraw/zinc/37/23/14/175372314.db2.gz AXTHJHOUBYJMGC-MRXNPFEDSA-N 1 3 283.460 2.273 10 0 CEAEHO CCC[N@@H+](CCCC[C@@](C)(NC1CC1)C(N)=O)C(C)C ZINC000045385920 175372316 /nfs/dbraw/zinc/37/23/16/175372316.db2.gz AXTHJHOUBYJMGC-MRXNPFEDSA-N 1 3 283.460 2.273 10 0 CEAEHO CCC[C@@H]1C[C@@](CN)([N@H+](CCN(C)C)CC(C)C)CCO1 ZINC000070365259 175894564 /nfs/dbraw/zinc/89/45/64/175894564.db2.gz ABNIGFRTIJOKGF-SJORKVTESA-N 1 3 299.503 2.183 10 0 CEAEHO CCC[C@@H]1C[C@@](CN)([N@@H+](CCN(C)C)CC(C)C)CCO1 ZINC000070365259 175894567 /nfs/dbraw/zinc/89/45/67/175894567.db2.gz ABNIGFRTIJOKGF-SJORKVTESA-N 1 3 299.503 2.183 10 0 CEAEHO CO[C@H](CN[C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000665284053 415673538 /nfs/dbraw/zinc/67/35/38/415673538.db2.gz ZMXAJIXHXNLYFL-HUUCEWRRSA-N 1 3 254.418 2.313 10 0 CEAEHO CC[C@H]1CCCC[C@]1(C[NH3+])N1CCN(CC2CC2)CC1 ZINC000071161863 176046231 /nfs/dbraw/zinc/04/62/31/176046231.db2.gz NLSJIXQXJNXJEJ-DLBZAZTESA-N 1 3 279.472 2.312 10 0 CEAEHO CC[C@@H]1CCCC[C@@]1(C[NH3+])N1CCN(C)C(C)(C)C1 ZINC000071162259 176046408 /nfs/dbraw/zinc/04/64/08/176046408.db2.gz ACZRNAHRAHNJOE-ZBFHGGJFSA-N 1 3 267.461 2.310 10 0 CEAEHO CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](CN)c1ccc(Cl)s1 ZINC000071187923 176061454 /nfs/dbraw/zinc/06/14/54/176061454.db2.gz AVRHNXJTGVMNMB-MNOVXSKESA-N 1 3 287.860 2.285 10 0 CEAEHO CN(C[C@@H]1CC[N@@H+](C)C1)[C@@H](CN)c1ccc(Cl)s1 ZINC000071187923 176061455 /nfs/dbraw/zinc/06/14/55/176061455.db2.gz AVRHNXJTGVMNMB-MNOVXSKESA-N 1 3 287.860 2.285 10 0 CEAEHO CC[C@H](N)[C@H]([N@H+](C)C[C@@H]1CCN(C)C1)C(C)(C)C ZINC000071187974 176061534 /nfs/dbraw/zinc/06/15/34/176061534.db2.gz AQSSEPRIXDAHRB-RDBSUJKOSA-N 1 3 255.450 2.022 10 0 CEAEHO CC[C@H](N)[C@H]([N@@H+](C)C[C@@H]1CCN(C)C1)C(C)(C)C ZINC000071187974 176061535 /nfs/dbraw/zinc/06/15/35/176061535.db2.gz AQSSEPRIXDAHRB-RDBSUJKOSA-N 1 3 255.450 2.022 10 0 CEAEHO CC(C)C1CCC(CN)([N@H+](C)C[C@H]2CCN(C)C2)CC1 ZINC000071188375 176062887 /nfs/dbraw/zinc/06/28/87/176062887.db2.gz UAGPNPOORBHELE-GTPINHCMSA-N 1 3 281.488 2.414 10 0 CEAEHO CC(C)C1CCC(CN)([N@@H+](C)C[C@H]2CCN(C)C2)CC1 ZINC000071188375 176062889 /nfs/dbraw/zinc/06/28/89/176062889.db2.gz UAGPNPOORBHELE-GTPINHCMSA-N 1 3 281.488 2.414 10 0 CEAEHO C[C@@H](N)c1c(F)cccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189395 176064705 /nfs/dbraw/zinc/06/47/05/176064705.db2.gz WPIBIPGHDGOWEY-VXGBXAGGSA-N 1 3 265.376 2.233 10 0 CEAEHO C[C@@H](N)c1c(F)cccc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189395 176064706 /nfs/dbraw/zinc/06/47/06/176064706.db2.gz WPIBIPGHDGOWEY-VXGBXAGGSA-N 1 3 265.376 2.233 10 0 CEAEHO CCN(CC)[C@@H](CN1CC[C@H]([NH2+]C)C1)c1ccccc1 ZINC000071197853 176076747 /nfs/dbraw/zinc/07/67/47/176076747.db2.gz UOVMGAQVQROLGT-IRXDYDNUSA-N 1 3 275.440 2.363 10 0 CEAEHO [NH2+]=C1c2cc(F)ccc2CN1[C@H]1CN2CCC1CC2 ZINC000071268605 176102341 /nfs/dbraw/zinc/10/23/41/176102341.db2.gz NYLHJROVSFMBKS-AWEZNQCLSA-N 1 3 259.328 2.061 10 0 CEAEHO CC[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1CCn1ccnc1C ZINC000071346522 176132088 /nfs/dbraw/zinc/13/20/88/176132088.db2.gz CEZQDYNXXHJGTI-GJZGRUSLSA-N 1 3 278.444 2.290 10 0 CEAEHO CC[C@H]1CN[C@H](C(C)(C)C)C[N@H+]1CCn1ccnc1C ZINC000071346522 176132089 /nfs/dbraw/zinc/13/20/89/176132089.db2.gz CEZQDYNXXHJGTI-GJZGRUSLSA-N 1 3 278.444 2.290 10 0 CEAEHO Cc1nccn1CC[N@@H+]1C[C@H](C(C)(C)C)NCC1(C)C ZINC000071348436 176132703 /nfs/dbraw/zinc/13/27/03/176132703.db2.gz REXOELVGWICNHH-CQSZACIVSA-N 1 3 278.444 2.290 10 0 CEAEHO Cc1nccn1CC[N@H+]1C[C@H](C(C)(C)C)NCC1(C)C ZINC000071348436 176132705 /nfs/dbraw/zinc/13/27/05/176132705.db2.gz REXOELVGWICNHH-CQSZACIVSA-N 1 3 278.444 2.290 10 0 CEAEHO CC[C@@H]1CNC2(CCCC2)C[N@@H+]1CCn1ccnc1C ZINC000071358318 176137393 /nfs/dbraw/zinc/13/73/93/176137393.db2.gz BHVZGVJCTDUZJE-OAHLLOKOSA-N 1 3 276.428 2.188 10 0 CEAEHO CC[C@@H]1CNC2(CCCC2)C[N@H+]1CCn1ccnc1C ZINC000071358318 176137395 /nfs/dbraw/zinc/13/73/95/176137395.db2.gz BHVZGVJCTDUZJE-OAHLLOKOSA-N 1 3 276.428 2.188 10 0 CEAEHO CN(C(=O)CC[C@H]([NH3+])c1ccccc1)[C@@H]1CCCN(C)C1 ZINC000071401432 176153951 /nfs/dbraw/zinc/15/39/51/176153951.db2.gz HWLNINBMSCOVKU-CVEARBPZSA-N 1 3 289.423 2.019 10 0 CEAEHO CCOc1cccc(CCC[N@@H+]2CCCNCC2)c1 ZINC000071589131 176217393 /nfs/dbraw/zinc/21/73/93/176217393.db2.gz HYRPXQKHTARUPW-UHFFFAOYSA-N 1 3 262.397 2.313 10 0 CEAEHO CCOc1cccc(CCC[N@H+]2CCCNCC2)c1 ZINC000071589131 176217394 /nfs/dbraw/zinc/21/73/94/176217394.db2.gz HYRPXQKHTARUPW-UHFFFAOYSA-N 1 3 262.397 2.313 10 0 CEAEHO CCN1CCC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000227539207 276376096 /nfs/dbraw/zinc/37/60/96/276376096.db2.gz JYYMZFJPKPVCIS-APHBMKBZSA-N 1 3 259.397 2.205 10 0 CEAEHO C[C@H]([NH3+])CCNCc1ccc(Br)cc1 ZINC000258815662 280527452 /nfs/dbraw/zinc/52/74/52/280527452.db2.gz SXMPWKJLAXYLFH-VIFPVBQESA-N 1 3 257.175 2.276 10 0 CEAEHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCO[C@H]1C1CC1 ZINC000261570236 298877689 /nfs/dbraw/zinc/87/76/89/298877689.db2.gz OIBZVSWFKCSCJN-OEAJRASXSA-N 1 3 266.429 2.454 10 0 CEAEHO C[C@@H]([NH2+]CCCc1nccs1)[C@@H]1CCCNC1 ZINC000576146998 314246450 /nfs/dbraw/zinc/24/64/50/314246450.db2.gz VJVKJAGUJLSUOR-VXGBXAGGSA-N 1 3 253.415 2.053 10 0 CEAEHO C[C@@H](NCCCc1nccs1)[C@@H]1CCC[NH2+]C1 ZINC000576146998 314246453 /nfs/dbraw/zinc/24/64/53/314246453.db2.gz VJVKJAGUJLSUOR-VXGBXAGGSA-N 1 3 253.415 2.053 10 0 CEAEHO CC(C)[NH2+]C[C@@H](C(C)C)N(C)C1CCN(C)CC1 ZINC000052419750 519722751 /nfs/dbraw/zinc/72/27/51/519722751.db2.gz KYJNCPHWHUBWGT-HNNXBMFYSA-N 1 3 255.450 2.035 10 0 CEAEHO CC(C)CN1CCN(CCCC[NH2+]C(C)(C)C)CC1 ZINC000055075977 519725114 /nfs/dbraw/zinc/72/51/14/519725114.db2.gz MVLGUVUSNOLHFJ-UHFFFAOYSA-N 1 3 269.477 2.428 10 0 CEAEHO CC(C)CN1CCN([C@]2(C[NH3+])CCCC[C@H]2C)CC1 ZINC000055078461 519728649 /nfs/dbraw/zinc/72/86/49/519728649.db2.gz ILAQWEGIFDCBLW-CVEARBPZSA-N 1 3 267.461 2.168 10 0 CEAEHO CC(C)C[NH2+]CC1(CN2CCCC2)CCOCC1 ZINC000052180653 519742787 /nfs/dbraw/zinc/74/27/87/519742787.db2.gz XVSTXBAJZVAOJS-UHFFFAOYSA-N 1 3 254.418 2.125 10 0 CEAEHO CCC[NH2+][C@@H](CC)[C@H](C)N1CCN(CC(C)C)CC1 ZINC000055079379 519993674 /nfs/dbraw/zinc/99/36/74/519993674.db2.gz UPPURYPUDNTFNC-HOTGVXAUSA-N 1 3 269.477 2.427 10 0 CEAEHO CCCN(CCN(C)C)[C@H](C[NH3+])c1ccc(C)cc1 ZINC000045663625 521658041 /nfs/dbraw/zinc/65/80/41/521658041.db2.gz HBGXYYVFAFTYRZ-MRXNPFEDSA-N 1 3 263.429 2.268 10 0 CEAEHO CCCN(CCN(C)C)C[C@@](C)(CCC)C[NH2+]C ZINC000051254251 521656861 /nfs/dbraw/zinc/65/68/61/521656861.db2.gz WDISYWMPCPGLSH-HNNXBMFYSA-N 1 3 257.466 2.286 10 0 CEAEHO CCCN(CCN(C)C)[C@H](CC)C[NH2+]CC(C)C ZINC000052544142 521657347 /nfs/dbraw/zinc/65/73/47/521657347.db2.gz FCAOWMALJDJQQB-OAHLLOKOSA-N 1 3 257.466 2.284 10 0 CEAEHO C[NH2+]Cc1cc(CN(C)[C@@H]2CCSC2)c(C)o1 ZINC000052453615 522104938 /nfs/dbraw/zinc/10/49/38/522104938.db2.gz KGXFNGMIYGBZFR-GFCCVEGCSA-N 1 3 254.399 2.245 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000055065560 522122306 /nfs/dbraw/zinc/12/23/06/522122306.db2.gz QHUHPTNRKAFRKS-GDBMZVCRSA-N 1 3 261.413 2.103 10 0 CEAEHO C[C@H](NCCc1cc(F)cc(F)c1)[C@H]1CC[NH2+]C1 ZINC000400409607 533868146 /nfs/dbraw/zinc/86/81/46/533868146.db2.gz STJIYMIWMMTOAC-JQWIXIFHSA-N 1 3 254.324 2.095 10 0 CEAEHO C[C@H](NCCc1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000400337937 533869755 /nfs/dbraw/zinc/86/97/55/533869755.db2.gz FUNRAODCRWODHV-WCQYABFASA-N 1 3 252.789 2.470 10 0 CEAEHO CC(C)CN1CCN(C[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000055083649 519726731 /nfs/dbraw/zinc/72/67/31/519726731.db2.gz WPJAKXCXBGFKGE-SFHVURJKSA-N 1 3 287.451 2.147 10 0 CEAEHO CC(C)NCc1cccc(N2CCC[C@H]2C[NH+](C)C)n1 ZINC000061654320 519727290 /nfs/dbraw/zinc/72/72/90/519727290.db2.gz OCUNMCGOPTUPTM-HNNXBMFYSA-N 1 3 276.428 2.110 10 0 CEAEHO CC(C)CN1CCN([C@@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000055077137 519727440 /nfs/dbraw/zinc/72/74/40/519727440.db2.gz NGJDRZHWNBGOOM-DOTOQJQBSA-N 1 3 275.440 2.349 10 0 CEAEHO CC(C)CN1CCN([C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069267084 519727934 /nfs/dbraw/zinc/72/79/34/519727934.db2.gz HGCCCCRZGDOSAR-QGZVFWFLSA-N 1 3 273.424 2.105 10 0 CEAEHO CC(C)[C@H](C[NH2+]C1CC1)OCCN1CCCCC1 ZINC000052670632 519815895 /nfs/dbraw/zinc/81/58/95/519815895.db2.gz YVHGKPMGXGMJCP-HNNXBMFYSA-N 1 3 254.418 2.266 10 0 CEAEHO CCCN1CCC(CN)([N@H+](C)C(C)(C)CC)CC1 ZINC000069429512 519842297 /nfs/dbraw/zinc/84/22/97/519842297.db2.gz UVAUOGMHBOJXNX-UHFFFAOYSA-N 1 3 255.450 2.310 10 0 CEAEHO CCCN1CCC(CN)([N@@H+](C)C(C)(C)CC)CC1 ZINC000069429512 519842298 /nfs/dbraw/zinc/84/22/98/519842298.db2.gz UVAUOGMHBOJXNX-UHFFFAOYSA-N 1 3 255.450 2.310 10 0 CEAEHO CCCN1CCN([C@H](C[NH3+])c2ccccc2CC)CC1 ZINC000052203371 519859403 /nfs/dbraw/zinc/85/94/03/519859403.db2.gz RQUFSAYDOBQAID-QGZVFWFLSA-N 1 3 275.440 2.276 10 0 CEAEHO CCCN1CCN([C@H](C)CC[NH2+]C(C)(C)C)CC1 ZINC000052422127 519859495 /nfs/dbraw/zinc/85/94/95/519859495.db2.gz FSGWYDDFVUCXLF-CQSZACIVSA-N 1 3 255.450 2.181 10 0 CEAEHO CCCN1CCN([C@@H](C[NH2+]CC)c2ccccc2)CC1 ZINC000052422095 519859810 /nfs/dbraw/zinc/85/98/10/519859810.db2.gz VSHKJWDPJPGRJX-KRWDZBQOSA-N 1 3 275.440 2.365 10 0 CEAEHO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1CCCN(C)C1 ZINC000054602338 519910227 /nfs/dbraw/zinc/91/02/27/519910227.db2.gz DCQIACZUZLKJQD-WTXIUTQJSA-N 1 3 265.445 2.076 10 0 CEAEHO CC[NH2+]CC1(CN(CCOC)[C@@H](C)CC)CCOCC1 ZINC000052183548 519912906 /nfs/dbraw/zinc/91/29/06/519912906.db2.gz LLWJYSFFFUBHKI-HNNXBMFYSA-N 1 3 286.460 2.140 10 0 CEAEHO CC[NH2+]CCCCCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000052573187 519919493 /nfs/dbraw/zinc/91/94/93/519919493.db2.gz MALKNGYGFGQCNT-LSDHHAIUSA-N 1 3 254.418 2.410 10 0 CEAEHO CC[NH2+]CCc1c(C)nc(CCN(CC)CC)nc1C ZINC000054838200 519927632 /nfs/dbraw/zinc/92/76/32/519927632.db2.gz WGFKJLOLJQROOB-UHFFFAOYSA-N 1 3 278.444 2.130 10 0 CEAEHO CC[NH2+]Cc1cc(CN2CCN(CC(C)C)CC2)oc1C ZINC000055082749 519991599 /nfs/dbraw/zinc/99/15/99/519991599.db2.gz QNTYTBJTFMEBIX-UHFFFAOYSA-N 1 3 293.455 2.471 10 0 CEAEHO CC[NH2+][C@@H](C)c1cnc(N(C)[C@@H]2CCCN(C)C2)s1 ZINC000054905613 520079394 /nfs/dbraw/zinc/07/93/94/520079394.db2.gz OLPAUTCEFGJOTJ-NWDGAFQWSA-N 1 3 282.457 2.344 10 0 CEAEHO CC[NH2+][C@H](CC)[C@H](C)N1CCN(C2CCCC2)CC1 ZINC000052061386 520183639 /nfs/dbraw/zinc/18/36/39/520183639.db2.gz RJNXIRIXCLHHLJ-GOEBONIOSA-N 1 3 267.461 2.323 10 0 CEAEHO CCN([C@@H](C)COC)[C@@H](CC[NH3+])c1ccccc1 ZINC000055017410 521472155 /nfs/dbraw/zinc/47/21/55/521472155.db2.gz CXVLMJSRWURPCO-ZFWWWQNUSA-N 1 3 250.386 2.433 10 0 CEAEHO CCC(CC)[C@@H](C[NH3+])N1CCN([C@H](C)CC)CC1 ZINC000055064559 521603209 /nfs/dbraw/zinc/60/32/09/521603209.db2.gz GSMYPNUJMMXGGU-UKRRQHHQSA-N 1 3 255.450 2.166 10 0 CEAEHO CCC(CC)[C@H](C[NH3+])N1CCN(CC(C)C)CC1 ZINC000055078263 521616084 /nfs/dbraw/zinc/61/60/84/521616084.db2.gz SJVYBVMHUVLZFK-HNNXBMFYSA-N 1 3 255.450 2.024 10 0 CEAEHO C[NH+](C)CCOCc1occc1CNC(C)(C)C ZINC000052669541 521795407 /nfs/dbraw/zinc/79/54/07/521795407.db2.gz YBBIHJZDNCWBEY-UHFFFAOYSA-N 1 3 254.374 2.246 10 0 CEAEHO CN(C)C[C@@H]1CCC[N@@H+]1[C@@H]1CCCCCC[C@@H]1N ZINC000061643550 521843291 /nfs/dbraw/zinc/84/32/91/521843291.db2.gz AZLVUTYGXUMVKA-SOUVJXGZSA-N 1 3 253.434 2.063 10 0 CEAEHO CN(C)C[C@@H]1CCC[N@H+]1[C@@H]1CCCCCC[C@@H]1N ZINC000061643550 521843298 /nfs/dbraw/zinc/84/32/98/521843298.db2.gz AZLVUTYGXUMVKA-SOUVJXGZSA-N 1 3 253.434 2.063 10 0 CEAEHO CCc1ccccc1[C@@H](C[NH3+])N1CCN(CC2CC2)CC1 ZINC000052203742 521933086 /nfs/dbraw/zinc/93/30/86/521933086.db2.gz QTQYWXNGFDUSPV-GOSISDBHSA-N 1 3 287.451 2.276 10 0 CEAEHO CNCC1(C[N@H+](C)[C@@H](C)CC(C)C)CCOCC1 ZINC000052197700 521970048 /nfs/dbraw/zinc/97/00/48/521970048.db2.gz VXCRNPCURSVQTQ-AWEZNQCLSA-N 1 3 256.434 2.369 10 0 CEAEHO CNCC1(C[N@@H+](C)[C@@H](C)CC(C)C)CCOCC1 ZINC000052197700 521970056 /nfs/dbraw/zinc/97/00/56/521970056.db2.gz VXCRNPCURSVQTQ-AWEZNQCLSA-N 1 3 256.434 2.369 10 0 CEAEHO C[NH2+]CCCCCN1CCc2cc(OC)c(OC)cc2C1 ZINC000052417246 521996017 /nfs/dbraw/zinc/99/60/17/521996017.db2.gz JYOMYEICQCAMIF-UHFFFAOYSA-N 1 3 292.423 2.452 10 0 CEAEHO CC[C@@H](C)N(CCOC)Cc1cc(C[NH2+]C)co1 ZINC000052547369 522091940 /nfs/dbraw/zinc/09/19/40/522091940.db2.gz NFIZADYZNAGLOQ-GFCCVEGCSA-N 1 3 254.374 2.246 10 0 CEAEHO CNCc1cc(F)ccc1N1CCC[C@H]1C[NH+](C)C ZINC000061646067 522113652 /nfs/dbraw/zinc/11/36/52/522113652.db2.gz MTIHPIKETGHNDD-AWEZNQCLSA-N 1 3 265.376 2.076 10 0 CEAEHO C[NH2+]Cc1ccc(CN2CCCSCC2)cc1 ZINC000052371134 522118476 /nfs/dbraw/zinc/11/84/76/522118476.db2.gz XTJSCUXRWROMBJ-UHFFFAOYSA-N 1 3 250.411 2.345 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000055065468 522123429 /nfs/dbraw/zinc/12/34/29/522123429.db2.gz BVCRINMZTUCKAD-WBVHZDCISA-N 1 3 275.440 2.411 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](C[NH3+])CCc2ccccc2)CC1 ZINC000061625177 522129891 /nfs/dbraw/zinc/12/98/91/522129891.db2.gz XPZZCSJYIXTGGL-SJLPKXTDSA-N 1 3 289.467 2.363 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C[NH3+])c2c(F)cccc2F)CC1 ZINC000055064852 522130414 /nfs/dbraw/zinc/13/04/14/522130414.db2.gz DPMUELFPSOFLGP-IUODEOHRSA-N 1 3 297.393 2.381 10 0 CEAEHO CC[C@@H](C)N1CCN(c2ccccc2C[NH2+]C)CC1 ZINC000055068679 522134698 /nfs/dbraw/zinc/13/46/98/522134698.db2.gz WFGSHARMHBJOPR-CQSZACIVSA-N 1 3 261.413 2.327 10 0 CEAEHO C[NH2+][C@@H](CN1CCN(CC(C)C)CC1)c1ccccc1 ZINC000055078916 522354983 /nfs/dbraw/zinc/35/49/83/522354983.db2.gz RGTFWNZHHVVXKY-KRWDZBQOSA-N 1 3 275.440 2.221 10 0 CEAEHO CN1CCC([N@H+](C)Cc2c3ccccc3oc2CN)CC1 ZINC000052419834 523158856 /nfs/dbraw/zinc/15/88/56/523158856.db2.gz VCESXHXXBXXKHA-UHFFFAOYSA-N 1 3 287.407 2.418 10 0 CEAEHO CN1CCC([N@@H+](C)Cc2c3ccccc3oc2CN)CC1 ZINC000052419834 523158865 /nfs/dbraw/zinc/15/88/65/523158865.db2.gz VCESXHXXBXXKHA-UHFFFAOYSA-N 1 3 287.407 2.418 10 0 CEAEHO CN(c1nc(C(C)(C)C)c(C[NH3+])s1)[C@@H]1CCCN(C)C1 ZINC000054998275 523662027 /nfs/dbraw/zinc/66/20/27/523662027.db2.gz QOLPSVBRSDUSFR-LLVKDONJSA-N 1 3 296.484 2.430 10 0 CEAEHO COc1ccc(CCN2C[C@@H](C)C[NH2+]C[C@H](C)C2)cc1 ZINC000049663488 523950538 /nfs/dbraw/zinc/95/05/38/523950538.db2.gz YYAHMXRXYQNXQS-GJZGRUSLSA-N 1 3 276.424 2.415 10 0 CEAEHO CC[C@H](C)N1CCN(CC(C)(C)C[NH2+]C2CC2)CC1 ZINC000055072155 523952254 /nfs/dbraw/zinc/95/22/54/523952254.db2.gz OXYOJSQBRIMVRY-AWEZNQCLSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@H](C)N1CCN(CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000055083586 523953108 /nfs/dbraw/zinc/95/31/08/523953108.db2.gz YNQSGYYAQZYHMM-HOTGVXAUSA-N 1 3 267.461 2.325 10 0 CEAEHO CC[C@H](C)N1CCN(CC(CC)(CC)C[NH3+])CC1 ZINC000055072008 523953574 /nfs/dbraw/zinc/95/35/74/523953574.db2.gz XTDTZXMDIUOVQC-AWEZNQCLSA-N 1 3 255.450 2.168 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000055065464 523954725 /nfs/dbraw/zinc/95/47/25/523954725.db2.gz RHULKWJCLUWLLF-WMLDXEAASA-N 1 3 291.439 2.111 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@@](C)(CC)C[NH2+]C)CC1 ZINC000055071827 523955208 /nfs/dbraw/zinc/95/52/08/523955208.db2.gz JQEBBDYRKQWXAV-GJZGRUSLSA-N 1 3 255.450 2.038 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000055083395 523955422 /nfs/dbraw/zinc/95/54/22/523955422.db2.gz KEYZGGFOZBUBII-YJBOKZPZSA-N 1 3 287.451 2.117 10 0 CEAEHO CC[C@H](C)N1CCN(Cc2ccc(C[NH3+])cc2)CC1 ZINC000055064209 523956209 /nfs/dbraw/zinc/95/62/09/523956209.db2.gz OHMHGBGELJPVHO-AWEZNQCLSA-N 1 3 261.413 2.061 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C[NH3+])c2ccc(F)c(F)c2)CC1 ZINC000055064822 523957644 /nfs/dbraw/zinc/95/76/44/523957644.db2.gz RYRTUFCUCVWKBG-LRDDRELGSA-N 1 3 297.393 2.381 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C)C[NH2+]C2CCCC2)CC1 ZINC000055074950 523958114 /nfs/dbraw/zinc/95/81/14/523958114.db2.gz SWXZGTLUYTZEHK-GJZGRUSLSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000055065566 523958386 /nfs/dbraw/zinc/95/83/86/523958386.db2.gz GIHIYDUCDUPXFH-HRCADAONSA-N 1 3 267.461 2.453 10 0 CEAEHO C[NH+](C)CC1CCN(c2nc3c(s2)[C@H](N)CCC3)CC1 ZINC000054897115 524050144 /nfs/dbraw/zinc/05/01/44/524050144.db2.gz KFASRSQXPUQQBM-GFCCVEGCSA-N 1 3 294.468 2.257 10 0 CEAEHO C[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCC[C@@H]1CN(C)C ZINC000061655238 524143009 /nfs/dbraw/zinc/14/30/09/524143009.db2.gz HLYKZQWPKJZXNO-OAGGEKHMSA-N 1 3 267.461 2.181 10 0 CEAEHO COc1ccc(OCCN(C)C)c(C[NH2+]CC(C)C)c1 ZINC000062727601 524950740 /nfs/dbraw/zinc/95/07/40/524950740.db2.gz XHNFHBYHJIGRSX-UHFFFAOYSA-N 1 3 280.412 2.381 10 0 CEAEHO COc1ccc([C@@H](C[NH3+])N2CCN(C(C)C)CC2)cc1C ZINC000050596680 525179692 /nfs/dbraw/zinc/17/96/92/525179692.db2.gz OIZNKMBGTJZPGR-MRXNPFEDSA-N 1 3 291.439 2.029 10 0 CEAEHO C[C@@H](c1ccccc1)[C@H](CN)[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061642806 526095820 /nfs/dbraw/zinc/09/58/20/526095820.db2.gz PYDCMHBZMMPLFG-UAGQMJEPSA-N 1 3 275.440 2.143 10 0 CEAEHO C[C@@H](c1ccccc1)[C@H](CN)[N@H+]1CCC[C@@H]1CN(C)C ZINC000061642806 526095836 /nfs/dbraw/zinc/09/58/36/526095836.db2.gz PYDCMHBZMMPLFG-UAGQMJEPSA-N 1 3 275.440 2.143 10 0 CEAEHO Fc1ccc(CC[NH2+]CCCN2CCCC2)cc1 ZINC000049332218 526329949 /nfs/dbraw/zinc/32/99/49/526329949.db2.gz USVNILWEPFQMEC-UHFFFAOYSA-N 1 3 250.361 2.444 10 0 CEAEHO Fc1ccc(CCNCCC[NH+]2CCCC2)cc1 ZINC000049332218 526329955 /nfs/dbraw/zinc/32/99/55/526329955.db2.gz USVNILWEPFQMEC-UHFFFAOYSA-N 1 3 250.361 2.444 10 0 CEAEHO CCC1([NH+]2CCNCC2)CCN(Cc2ccccc2)CC1 ZINC000584882630 344996577 /nfs/dbraw/zinc/99/65/77/344996577.db2.gz SFUZOWAWXFSTFX-UHFFFAOYSA-N 1 3 287.451 2.336 10 0 CEAEHO CN(C)Cc1cccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085361426 179032774 /nfs/dbraw/zinc/03/27/74/179032774.db2.gz MQTWVHZJTAFXJU-HUUCEWRRSA-N 1 3 275.396 2.204 10 0 CEAEHO CC[C@@]1(C)CN[C@@](C)(C2CC2)C[N@@H+]1CCn1ccnc1C ZINC000085515082 179086890 /nfs/dbraw/zinc/08/68/90/179086890.db2.gz WOESXCBCIFENQW-DLBZAZTESA-N 1 3 290.455 2.434 10 0 CEAEHO CC[C@@]1(C)CN[C@@](C)(C2CC2)C[N@H+]1CCn1ccnc1C ZINC000085515082 179086891 /nfs/dbraw/zinc/08/68/91/179086891.db2.gz WOESXCBCIFENQW-DLBZAZTESA-N 1 3 290.455 2.434 10 0 CEAEHO C([C@H]1CCOC1)[N@@H+]1CCCNC2(CCCCC2)C1 ZINC000085610597 179101168 /nfs/dbraw/zinc/10/11/68/179101168.db2.gz SZOIZTXTTPCGFX-CQSZACIVSA-N 1 3 252.402 2.021 10 0 CEAEHO C([C@H]1CCOC1)[N@H+]1CCCNC2(CCCCC2)C1 ZINC000085610597 179101170 /nfs/dbraw/zinc/10/11/70/179101170.db2.gz SZOIZTXTTPCGFX-CQSZACIVSA-N 1 3 252.402 2.021 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086172104 179244198 /nfs/dbraw/zinc/24/41/98/179244198.db2.gz RURXMBMRKLYMAR-YVSFHVDLSA-N 1 3 281.488 2.425 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086172104 179244200 /nfs/dbraw/zinc/24/42/00/179244200.db2.gz RURXMBMRKLYMAR-YVSFHVDLSA-N 1 3 281.488 2.425 10 0 CEAEHO CC[C@H](C)[C@@H]1CN([C@@H]2CCCN(C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086172104 179244202 /nfs/dbraw/zinc/24/42/02/179244202.db2.gz RURXMBMRKLYMAR-YVSFHVDLSA-N 1 3 281.488 2.425 10 0 CEAEHO CN1CCCC[C@@H]1CN1CC[NH2+]C2(CCCCC2)C1 ZINC000086145818 179239030 /nfs/dbraw/zinc/23/90/30/179239030.db2.gz WYSKYIXBHULPOW-OAHLLOKOSA-N 1 3 265.445 2.079 10 0 CEAEHO CC[C@@]1(C)C[N@H+](C[C@@H]2CCN(C)C2)[C@H](C(C)C)CN1 ZINC000086223093 179250657 /nfs/dbraw/zinc/25/06/57/179250657.db2.gz LPEHEFJTTRYPEH-PMPSAXMXSA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@@]1(C)C[N@@H+](C[C@@H]2CCN(C)C2)[C@H](C(C)C)CN1 ZINC000086223093 179250660 /nfs/dbraw/zinc/25/06/60/179250660.db2.gz LPEHEFJTTRYPEH-PMPSAXMXSA-N 1 3 267.461 2.037 10 0 CEAEHO CCN1CC[C@H](C[N@@H+]2C[C@@](C)(C3CC3)NC[C@@H]2C(C)C)C1 ZINC000086223004 179251219 /nfs/dbraw/zinc/25/12/19/179251219.db2.gz WCGVGAXCBDPSHL-JQHSSLGASA-N 1 3 293.499 2.427 10 0 CEAEHO CCN1CC[C@H](C[N@H+]2C[C@@](C)(C3CC3)NC[C@@H]2C(C)C)C1 ZINC000086223004 179251220 /nfs/dbraw/zinc/25/12/20/179251220.db2.gz WCGVGAXCBDPSHL-JQHSSLGASA-N 1 3 293.499 2.427 10 0 CEAEHO CC[C@@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1[C@@H]1CCCN(C)C1 ZINC000086223940 179253162 /nfs/dbraw/zinc/25/31/62/179253162.db2.gz FIARODJHDJJYLD-RBSFLKMASA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1CN[C@@H](C(C)(C)C)C[N@H+]1[C@@H]1CCCN(C)C1 ZINC000086223940 179253164 /nfs/dbraw/zinc/25/31/64/179253164.db2.gz FIARODJHDJJYLD-RBSFLKMASA-N 1 3 267.461 2.179 10 0 CEAEHO CC(C)[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1[C@@H](C)CCN(C)C ZINC000086227535 179254191 /nfs/dbraw/zinc/25/41/91/179254191.db2.gz GXHDLPUHTOOTLL-UAGQMJEPSA-N 1 3 281.488 2.425 10 0 CEAEHO CC(C)[C@H]1CN[C@](C)(C2CC2)C[N@H+]1[C@@H](C)CCN(C)C ZINC000086227535 179254193 /nfs/dbraw/zinc/25/41/93/179254193.db2.gz GXHDLPUHTOOTLL-UAGQMJEPSA-N 1 3 281.488 2.425 10 0 CEAEHO CC(C)[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259593 179258163 /nfs/dbraw/zinc/25/81/63/179258163.db2.gz RPFHVPVYSOYITE-SQNIBIBYSA-N 1 3 291.483 2.322 10 0 CEAEHO CC(C)[C@@H]1CN[C@](C)(C2CC2)C[N@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259593 179258164 /nfs/dbraw/zinc/25/81/64/179258164.db2.gz RPFHVPVYSOYITE-SQNIBIBYSA-N 1 3 291.483 2.322 10 0 CEAEHO CC(C)[C@@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259593 179258165 /nfs/dbraw/zinc/25/81/65/179258165.db2.gz RPFHVPVYSOYITE-SQNIBIBYSA-N 1 3 291.483 2.322 10 0 CEAEHO CC[C@@H]1C[N@H+](C[C@@H]2CCCCN2C)[C@H](C(C)C)CN1 ZINC000086259353 179258786 /nfs/dbraw/zinc/25/87/86/179258786.db2.gz JIHBLLIWNYCOFS-PMPSAXMXSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1C[N@@H+](C[C@@H]2CCCCN2C)[C@H](C(C)C)CN1 ZINC000086259353 179258787 /nfs/dbraw/zinc/25/87/87/179258787.db2.gz JIHBLLIWNYCOFS-PMPSAXMXSA-N 1 3 267.461 2.179 10 0 CEAEHO CC(C)[C@H]1CNC2(CCCC2)C[N@@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259674 179259546 /nfs/dbraw/zinc/25/95/46/179259546.db2.gz OITQSJXSBPMXSJ-IAGOWNOFSA-N 1 3 291.483 2.466 10 0 CEAEHO CC(C)[C@H]1CNC2(CCCC2)C[N@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259674 179259547 /nfs/dbraw/zinc/25/95/47/179259547.db2.gz OITQSJXSBPMXSJ-IAGOWNOFSA-N 1 3 291.483 2.466 10 0 CEAEHO CC(C)[C@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259674 179259548 /nfs/dbraw/zinc/25/95/48/179259548.db2.gz OITQSJXSBPMXSJ-IAGOWNOFSA-N 1 3 291.483 2.466 10 0 CEAEHO CC[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1[C@@H](C)CCN(C)C ZINC000086255753 179256770 /nfs/dbraw/zinc/25/67/70/179256770.db2.gz NYIKUNFHZDYTPY-KKUMJFAQSA-N 1 3 269.477 2.425 10 0 CEAEHO CC[C@H]1CN[C@H](C(C)(C)C)C[N@H+]1[C@@H](C)CCN(C)C ZINC000086255753 179256771 /nfs/dbraw/zinc/25/67/71/179256771.db2.gz NYIKUNFHZDYTPY-KKUMJFAQSA-N 1 3 269.477 2.425 10 0 CEAEHO c1ccc(C[C@@H]2CN(CC[C@@H]3CCCO3)CCC[NH2+]2)cc1 ZINC000086291366 179265742 /nfs/dbraw/zinc/26/57/42/179265742.db2.gz WCGFXHDHRACFJP-MSOLQXFVSA-N 1 3 288.435 2.462 10 0 CEAEHO C[C@@H]1C[NH+]=C(NCCN(C)C2CCCC2)SC1 ZINC000086633536 179314719 /nfs/dbraw/zinc/31/47/19/179314719.db2.gz JTYYAEWLEBXZEP-LLVKDONJSA-N 1 3 255.431 2.189 10 0 CEAEHO C[C@H](C[NH2+][C@H]1CCCN(C)CC1)CN1CCCCC1 ZINC000086818836 179348863 /nfs/dbraw/zinc/34/88/63/179348863.db2.gz NEKOTMUPEZYDDP-CVEARBPZSA-N 1 3 267.461 2.182 10 0 CEAEHO CCOC(=O)CCCN[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086845734 179355773 /nfs/dbraw/zinc/35/57/73/179355773.db2.gz XKQFUECFAQIYBN-CQSZACIVSA-N 1 3 270.417 2.182 10 0 CEAEHO CCOC(=O)CCCN[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086845734 179355775 /nfs/dbraw/zinc/35/57/75/179355775.db2.gz XKQFUECFAQIYBN-CQSZACIVSA-N 1 3 270.417 2.182 10 0 CEAEHO CCOC(=O)CCC[NH2+][C@@H]1CCCN(C(C)C)CC1 ZINC000086845734 179355776 /nfs/dbraw/zinc/35/57/76/179355776.db2.gz XKQFUECFAQIYBN-CQSZACIVSA-N 1 3 270.417 2.182 10 0 CEAEHO CC[N@H+](CC1CC1)[C@]1(CN)CCCN(C(C)C)CC1 ZINC000086848831 179356165 /nfs/dbraw/zinc/35/61/65/179356165.db2.gz NIDIOOBCFJOHBQ-MRXNPFEDSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[N@@H+](CC1CC1)[C@]1(CN)CCCN(C(C)C)CC1 ZINC000086848831 179356168 /nfs/dbraw/zinc/35/61/68/179356168.db2.gz NIDIOOBCFJOHBQ-MRXNPFEDSA-N 1 3 267.461 2.310 10 0 CEAEHO CCCN1CCC[C@](CN)([N@@H+]2CCC[C@@H]2CC)CC1 ZINC000086847392 179356930 /nfs/dbraw/zinc/35/69/30/179356930.db2.gz XIYTYSRJMWVSSR-HOTGVXAUSA-N 1 3 267.461 2.454 10 0 CEAEHO CCCN1CCC[C@](CN)([N@H+]2CCC[C@@H]2CC)CC1 ZINC000086847392 179356932 /nfs/dbraw/zinc/35/69/32/179356932.db2.gz XIYTYSRJMWVSSR-HOTGVXAUSA-N 1 3 267.461 2.454 10 0 CEAEHO CC(C)C[C@H](CO)[NH2+][C@H]1CCCN(C(C)C)CC1 ZINC000086842540 179352468 /nfs/dbraw/zinc/35/24/68/179352468.db2.gz GLEGWFGFMJWOFT-LSDHHAIUSA-N 1 3 256.434 2.246 10 0 CEAEHO CC(C)C[C@H](CO)N[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086842540 179352470 /nfs/dbraw/zinc/35/24/70/179352470.db2.gz GLEGWFGFMJWOFT-LSDHHAIUSA-N 1 3 256.434 2.246 10 0 CEAEHO CC(C)C[C@H](CO)N[C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086842540 179352472 /nfs/dbraw/zinc/35/24/72/179352472.db2.gz GLEGWFGFMJWOFT-LSDHHAIUSA-N 1 3 256.434 2.246 10 0 CEAEHO CCC[N@@H+]1CCC[C@@H](N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000086843450 179352727 /nfs/dbraw/zinc/35/27/27/179352727.db2.gz FOXOXDGDZCRGGJ-HUUCEWRRSA-N 1 3 265.445 2.077 10 0 CEAEHO CCC[N@H+]1CCC[C@@H](N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000086843450 179352728 /nfs/dbraw/zinc/35/27/28/179352728.db2.gz FOXOXDGDZCRGGJ-HUUCEWRRSA-N 1 3 265.445 2.077 10 0 CEAEHO CC(C)C[C@@H](CO)[NH2+][C@H]1CCCN(C(C)C)CC1 ZINC000086842537 179353532 /nfs/dbraw/zinc/35/35/32/179353532.db2.gz GLEGWFGFMJWOFT-GJZGRUSLSA-N 1 3 256.434 2.246 10 0 CEAEHO CC(C)C[C@@H](CO)N[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086842537 179353533 /nfs/dbraw/zinc/35/35/33/179353533.db2.gz GLEGWFGFMJWOFT-GJZGRUSLSA-N 1 3 256.434 2.246 10 0 CEAEHO CC(C)C[C@@H](CO)N[C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086842537 179353534 /nfs/dbraw/zinc/35/35/34/179353534.db2.gz GLEGWFGFMJWOFT-GJZGRUSLSA-N 1 3 256.434 2.246 10 0 CEAEHO CC(C)N1CCC[C@]([NH2+]C2CCCCCC2)(C(N)=O)CC1 ZINC000086849651 179358179 /nfs/dbraw/zinc/35/81/79/179358179.db2.gz WLYFPSPOLOACED-QGZVFWFLSA-N 1 3 295.471 2.417 10 0 CEAEHO CC(C)N1CCC[C@H]([NH2+]CC2(O)CCCC2)CC1 ZINC000087016492 179380596 /nfs/dbraw/zinc/38/05/96/179380596.db2.gz VZBUSRMXRDYEPX-AWEZNQCLSA-N 1 3 254.418 2.144 10 0 CEAEHO CC(C)[N@@H+]1CCC[C@H](NCC2(O)CCCC2)CC1 ZINC000087016492 179380598 /nfs/dbraw/zinc/38/05/98/179380598.db2.gz VZBUSRMXRDYEPX-AWEZNQCLSA-N 1 3 254.418 2.144 10 0 CEAEHO CC(C)[N@H+]1CCC[C@H](NCC2(O)CCCC2)CC1 ZINC000087016492 179380600 /nfs/dbraw/zinc/38/06/00/179380600.db2.gz VZBUSRMXRDYEPX-AWEZNQCLSA-N 1 3 254.418 2.144 10 0 CEAEHO C[C@H](N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400355398 233176516 /nfs/dbraw/zinc/17/65/16/233176516.db2.gz OGJSLGPHCNVXEP-UOVPBQLFSA-N 1 3 287.451 2.237 10 0 CEAEHO [NH3+]C[C@H]1CCCC[C@@H]1COCCN1CCCCC1 ZINC000089535206 179812300 /nfs/dbraw/zinc/81/23/00/179812300.db2.gz BABJOUGLHYNMDB-HUUCEWRRSA-N 1 3 254.418 2.254 10 0 CEAEHO CCN(CC)Cc1ccccc1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000089743034 179858024 /nfs/dbraw/zinc/85/80/24/179858024.db2.gz ASPVGGUQBGVFKC-AWEZNQCLSA-N 1 3 289.423 2.467 10 0 CEAEHO c1ccc2c(c1)C[C@@H](C[NH2+]C[C@H]1CCN(C3CC3)C1)O2 ZINC000090874334 180050216 /nfs/dbraw/zinc/05/02/16/180050216.db2.gz MBFIDSATWZUCCB-CJNGLKHVSA-N 1 3 272.392 2.064 10 0 CEAEHO c1ccc2c(c1)C[C@@H](CNC[C@H]1CC[N@@H+](C3CC3)C1)O2 ZINC000090874334 180050217 /nfs/dbraw/zinc/05/02/17/180050217.db2.gz MBFIDSATWZUCCB-CJNGLKHVSA-N 1 3 272.392 2.064 10 0 CEAEHO c1ccc2c(c1)C[C@@H](CNC[C@H]1CC[N@H+](C3CC3)C1)O2 ZINC000090874334 180050218 /nfs/dbraw/zinc/05/02/18/180050218.db2.gz MBFIDSATWZUCCB-CJNGLKHVSA-N 1 3 272.392 2.064 10 0 CEAEHO C[C@H]1CCNC(C)(C)C[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090878333 180052419 /nfs/dbraw/zinc/05/24/19/180052419.db2.gz DVYXFIKZNFAUTB-ZFWWWQNUSA-N 1 3 274.408 2.453 10 0 CEAEHO C[C@H]1CCNC(C)(C)C[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090878333 180052421 /nfs/dbraw/zinc/05/24/21/180052421.db2.gz DVYXFIKZNFAUTB-ZFWWWQNUSA-N 1 3 274.408 2.453 10 0 CEAEHO CC[NH2+]CC1CCN(C[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090893530 180055535 /nfs/dbraw/zinc/05/55/35/180055535.db2.gz AFUUHTJRMLKWSQ-MRXNPFEDSA-N 1 3 292.398 2.451 10 0 CEAEHO Cc1ccc2c(c1)C[C@@H](CN[C@H](C)CC[NH+](C)C)O2 ZINC000090897741 180057508 /nfs/dbraw/zinc/05/75/08/180057508.db2.gz QUYJJSKYNVXJHV-HIFRSBDPSA-N 1 3 262.397 2.228 10 0 CEAEHO COCC[NH2+]C[C@H]1CCCN(C[C@@H]2Cc3ccccc32)C1 ZINC000090977562 180078888 /nfs/dbraw/zinc/07/88/88/180078888.db2.gz BGSFJYNOSKVMRK-WBVHZDCISA-N 1 3 288.435 2.274 10 0 CEAEHO COCCNC[C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000090977562 180078890 /nfs/dbraw/zinc/07/88/90/180078890.db2.gz BGSFJYNOSKVMRK-WBVHZDCISA-N 1 3 288.435 2.274 10 0 CEAEHO COCCNC[C@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000090977562 180078891 /nfs/dbraw/zinc/07/88/91/180078891.db2.gz BGSFJYNOSKVMRK-WBVHZDCISA-N 1 3 288.435 2.274 10 0 CEAEHO Cc1nn(CCN2CCCC2)c(C)c1C[NH2+]CC(C)C ZINC000091002317 180083886 /nfs/dbraw/zinc/08/38/86/180083886.db2.gz KXMUMNPRMCBUPI-UHFFFAOYSA-N 1 3 278.444 2.341 10 0 CEAEHO CSC1(C[NH3+])CCN(Cc2ccc(F)cc2)CC1 ZINC000091473326 180165787 /nfs/dbraw/zinc/16/57/87/180165787.db2.gz IADOMEDPXGWKKC-UHFFFAOYSA-N 1 3 268.401 2.482 10 0 CEAEHO C[NH2+][C@H](c1ccccc1)[C@@H](C)CN(C)CC1CC(O)C1 ZINC000091489229 180168609 /nfs/dbraw/zinc/16/86/09/180168609.db2.gz STMNKRIXFVCRSA-DXCHVLGVSA-N 1 3 276.424 2.286 10 0 CEAEHO C[NH2+][C@@H]1CCC(C)(C)C[C@H]1CN(C)CC1CC(O)C1 ZINC000091490575 180169943 /nfs/dbraw/zinc/16/99/43/180169943.db2.gz KTDKLRVGNSNMMB-OOJKYFRXSA-N 1 3 268.445 2.103 10 0 CEAEHO CC[NH2+][C@@H](C)C(C)(C)CN1CCCC[C@@H]1CCO ZINC000091402631 180147257 /nfs/dbraw/zinc/14/72/57/180147257.db2.gz VSVRGEWYQPGCMX-UONOGXRCSA-N 1 3 256.434 2.248 10 0 CEAEHO CCN(CC)[C@@](C)(CC)[C@H](Cc1cnccc1N)[NH2+]C ZINC000091599205 180202410 /nfs/dbraw/zinc/20/24/10/180202410.db2.gz CFMBWRIDKLRAKN-HOTGVXAUSA-N 1 3 278.444 2.305 10 0 CEAEHO CC[NH+](CC)[C@@](C)(CC)[C@H](Cc1cnccc1N)NC ZINC000091599205 180202413 /nfs/dbraw/zinc/20/24/13/180202413.db2.gz CFMBWRIDKLRAKN-HOTGVXAUSA-N 1 3 278.444 2.305 10 0 CEAEHO CC(C)(C)[NH2+]CC[C@](C)(O)[C@@H]1NCc2ccccc21 ZINC000091523055 180178443 /nfs/dbraw/zinc/17/84/43/180178443.db2.gz UHPRTQNJHIEBEO-ZBFHGGJFSA-N 1 3 262.397 2.360 10 0 CEAEHO CCCN(CC(=O)Nc1nccs1)C1CCC([NH3+])CC1 ZINC000091852455 180272865 /nfs/dbraw/zinc/27/28/65/180272865.db2.gz DPLIINDNWHUMRZ-UHFFFAOYSA-N 1 3 296.440 2.064 10 0 CEAEHO CC[C@H]([NH3+])c1ccn(C[C@@H]2CN(C(C)C)CCO2)c1 ZINC000091816427 180261401 /nfs/dbraw/zinc/26/14/01/180261401.db2.gz NMHRGXUJUSDFCY-CABCVRRESA-N 1 3 265.401 2.007 10 0 CEAEHO C[NH2+]C1CCC(N(C)Cc2ccc(C(=O)OC)o2)CC1 ZINC000091873050 180277823 /nfs/dbraw/zinc/27/78/23/180277823.db2.gz SXVCXQKLXBNYRL-UHFFFAOYSA-N 1 3 280.368 2.029 10 0 CEAEHO C[NH2+]C1CCC(N(C)CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000091872912 180277880 /nfs/dbraw/zinc/27/78/80/180277880.db2.gz OCUIRGFYQFPLPE-FXQLRMTLSA-N 1 3 295.471 2.238 10 0 CEAEHO CC[C@H]1CCCCN1C(=O)CN(C)C1CCC([NH2+]C)CC1 ZINC000091872895 180278113 /nfs/dbraw/zinc/27/81/13/180278113.db2.gz SEQQGWNKXPQERT-PCKAHOCUSA-N 1 3 295.471 2.240 10 0 CEAEHO CCNCc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000092003583 180304950 /nfs/dbraw/zinc/30/49/50/180304950.db2.gz VMRIVMRDQZYIRD-KGLIPLIRSA-N 1 3 277.412 2.058 10 0 CEAEHO CCNCc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000092003583 180304951 /nfs/dbraw/zinc/30/49/51/180304951.db2.gz VMRIVMRDQZYIRD-KGLIPLIRSA-N 1 3 277.412 2.058 10 0 CEAEHO CCN1CC[C@H](C[NH2+]C[C@@H]2COc3ccccc32)C1 ZINC000092299691 180358683 /nfs/dbraw/zinc/35/86/83/180358683.db2.gz UNLOTBSAJNLPDU-ZIAGYGMSSA-N 1 3 260.381 2.094 10 0 CEAEHO CC[N@@H+]1CC[C@H](CNC[C@@H]2COc3ccccc32)C1 ZINC000092299691 180358685 /nfs/dbraw/zinc/35/86/85/180358685.db2.gz UNLOTBSAJNLPDU-ZIAGYGMSSA-N 1 3 260.381 2.094 10 0 CEAEHO CC[N@H+]1CC[C@H](CNC[C@@H]2COc3ccccc32)C1 ZINC000092299691 180358686 /nfs/dbraw/zinc/35/86/86/180358686.db2.gz UNLOTBSAJNLPDU-ZIAGYGMSSA-N 1 3 260.381 2.094 10 0 CEAEHO Cc1nn(CCN(C)C)c(C)c1[C@H](C)C[NH2+]C(C)C ZINC000092322978 180362354 /nfs/dbraw/zinc/36/23/54/180362354.db2.gz UITAECKIANZETQ-GFCCVEGCSA-N 1 3 266.433 2.163 10 0 CEAEHO CC(C)[C@H]1CSC(NC[C@H]2CCCN(C)C2)=[NH+]1 ZINC000092402487 180377867 /nfs/dbraw/zinc/37/78/67/180377867.db2.gz AVVDTRUZKDHMHC-VXGBXAGGSA-N 1 3 255.431 2.045 10 0 CEAEHO CCCNc1ccnc(CN2CC[C@@H]([NH+](C)C)C2)c1 ZINC000092419131 180382348 /nfs/dbraw/zinc/38/23/48/180382348.db2.gz DDXSIKOWSPPXME-OAHLLOKOSA-N 1 3 262.401 2.039 10 0 CEAEHO Clc1ccc(CCNC[C@H]2CCC[NH2+]C2)cc1 ZINC000107792291 186191056 /nfs/dbraw/zinc/19/10/56/186191056.db2.gz LXTGQHOPIZJLGP-ZDUSSCGKSA-N 1 3 252.789 2.472 10 0 CEAEHO Clc1ccc(CC[NH2+]C[C@H]2CCCNC2)cc1 ZINC000107792291 186191058 /nfs/dbraw/zinc/19/10/58/186191058.db2.gz LXTGQHOPIZJLGP-ZDUSSCGKSA-N 1 3 252.789 2.472 10 0 CEAEHO CC[NH2+][C@@H]1CCC[C@H]1c1nc(CCN(CC)CC)no1 ZINC000109496092 186257026 /nfs/dbraw/zinc/25/70/26/186257026.db2.gz CVYBPTWUANEQKE-CHWSQXEVSA-N 1 3 280.416 2.200 10 0 CEAEHO COC(=O)C[C@@H]1CCCC[N@@H+]1[C@@H]1CCCCC[C@@H]1CN ZINC000109684939 186268398 /nfs/dbraw/zinc/26/83/98/186268398.db2.gz ZANOPPNHRJQQHK-QLFBSQMISA-N 1 3 282.428 2.312 10 0 CEAEHO COC(=O)C[C@@H]1CCCC[N@H+]1[C@@H]1CCCCC[C@@H]1CN ZINC000109684939 186268399 /nfs/dbraw/zinc/26/83/99/186268399.db2.gz ZANOPPNHRJQQHK-QLFBSQMISA-N 1 3 282.428 2.312 10 0 CEAEHO CNCC1(C[N@@H+]2CCC[C@@H](C)CC2)CCOCC1 ZINC000110810560 186326301 /nfs/dbraw/zinc/32/63/01/186326301.db2.gz SHDYFGLMUDEZRC-CQSZACIVSA-N 1 3 254.418 2.125 10 0 CEAEHO CNCC1(C[N@H+]2CCC[C@@H](C)CC2)CCOCC1 ZINC000110810560 186326303 /nfs/dbraw/zinc/32/63/03/186326303.db2.gz SHDYFGLMUDEZRC-CQSZACIVSA-N 1 3 254.418 2.125 10 0 CEAEHO CCC[C@@H](C)[NH2+]C[C@H](C)N1CCN(C)C(C)(C)C1 ZINC000110757974 186320235 /nfs/dbraw/zinc/32/02/35/186320235.db2.gz VEYBTLFNJSWPOB-KGLIPLIRSA-N 1 3 255.450 2.179 10 0 CEAEHO C[NH2+][C@H]1CCCCC[C@H]1CN1CCN(C)C(C)(C)C1 ZINC000110746964 186320283 /nfs/dbraw/zinc/32/02/83/186320283.db2.gz BRKNTRCIBJSTLB-GJZGRUSLSA-N 1 3 267.461 2.181 10 0 CEAEHO CCN1CCN(Cc2oc3ccccc3c2C[NH3+])C[C@@H]1C ZINC000110752412 186320449 /nfs/dbraw/zinc/32/04/49/186320449.db2.gz ALBYYHHHRTUTLB-ZDUSSCGKSA-N 1 3 287.407 2.418 10 0 CEAEHO CC(C)C[NH2+]C[C@@H](C(C)C)N1CCN(C)C(C)(C)C1 ZINC000110755140 186320983 /nfs/dbraw/zinc/32/09/83/186320983.db2.gz GSYFDBFHHSMZNI-HNNXBMFYSA-N 1 3 269.477 2.283 10 0 CEAEHO CC[NH2+]C[C@@H](c1ccccc1)N1CCN(C)C(C)(C)C1 ZINC000110755491 186321315 /nfs/dbraw/zinc/32/13/15/186321315.db2.gz FVXGOMYLQKNNEF-INIZCTEOSA-N 1 3 275.440 2.363 10 0 CEAEHO CC[NH2+]Cc1oc(CN2CCN(C)C(C)(C)C2)cc1C ZINC000110755325 186321467 /nfs/dbraw/zinc/32/14/67/186321467.db2.gz ZWCIJUQSUPMJGD-UHFFFAOYSA-N 1 3 279.428 2.224 10 0 CEAEHO CCN1CCN(Cc2ccc(C[NH2+]C3CC3)cc2)C[C@@H]1C ZINC000110752541 186321718 /nfs/dbraw/zinc/32/17/18/186321718.db2.gz MIGGZLHFHNEQIJ-HNNXBMFYSA-N 1 3 287.451 2.465 10 0 CEAEHO CC(C)(C)[NH2+]C[C@H]1CCN(CC2CCOCC2)C1 ZINC000111164420 186363375 /nfs/dbraw/zinc/36/33/75/186363375.db2.gz VFTGSTYFHIXNQP-CQSZACIVSA-N 1 3 254.418 2.123 10 0 CEAEHO CN(C)CCN(C)[C@@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000111132471 186356168 /nfs/dbraw/zinc/35/61/68/186356168.db2.gz MQSMHLVYMHNLNI-ZDUSSCGKSA-N 1 3 290.238 2.487 10 0 CEAEHO CN(CCC[NH+](C)C)[C@H](CN)c1ccc(Cl)s1 ZINC000111131687 186356254 /nfs/dbraw/zinc/35/62/54/186356254.db2.gz UCZKTVKHRMZXFY-SNVBAGLBSA-N 1 3 275.849 2.285 10 0 CEAEHO CN(CCC[NH+](C)C)c1ccc(F)cc1CNC1CC1 ZINC000111140753 186358084 /nfs/dbraw/zinc/35/80/84/186358084.db2.gz ZDWQMWSPQNPFSE-UHFFFAOYSA-N 1 3 279.403 2.466 10 0 CEAEHO CCCNCc1oc(CN(C)CCC[NH+](C)C)cc1C ZINC000111150533 186360001 /nfs/dbraw/zinc/36/00/01/186360001.db2.gz OPDDDVGCBGCIIX-UHFFFAOYSA-N 1 3 281.444 2.471 10 0 CEAEHO C[N@H+](C[C@@H]1CCCOC1)C[C@@H]1CCCCC[C@@H]1N ZINC000111171774 186365080 /nfs/dbraw/zinc/36/50/80/186365080.db2.gz NKSSGKCLGUEIKG-KKUMJFAQSA-N 1 3 254.418 2.252 10 0 CEAEHO C[N@@H+](C[C@@H]1CCCOC1)C[C@@H]1CCCCC[C@@H]1N ZINC000111171774 186365082 /nfs/dbraw/zinc/36/50/82/186365082.db2.gz NKSSGKCLGUEIKG-KKUMJFAQSA-N 1 3 254.418 2.252 10 0 CEAEHO CCCC1CCN(C[C@]2(C[NH3+])CCCOC2)CC1 ZINC000111326012 186398614 /nfs/dbraw/zinc/39/86/14/186398614.db2.gz UNMSNBJMNZCOQW-OAHLLOKOSA-N 1 3 254.418 2.254 10 0 CEAEHO CC(C)CN(C)C[C@]1(C[NH2+]C(C)C)CCCOC1 ZINC000111324866 186399290 /nfs/dbraw/zinc/39/92/90/186399290.db2.gz UHWJGLPXBDOTRO-OAHLLOKOSA-N 1 3 256.434 2.369 10 0 CEAEHO CC(C)C[N@H+](C)C[C@]1(CNC(C)C)CCCOC1 ZINC000111324866 186399291 /nfs/dbraw/zinc/39/92/91/186399291.db2.gz UHWJGLPXBDOTRO-OAHLLOKOSA-N 1 3 256.434 2.369 10 0 CEAEHO CC(C)C[N@@H+](C)C[C@]1(CNC(C)C)CCCOC1 ZINC000111324866 186399293 /nfs/dbraw/zinc/39/92/93/186399293.db2.gz UHWJGLPXBDOTRO-OAHLLOKOSA-N 1 3 256.434 2.369 10 0 CEAEHO Cc1cccc(OCCN[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000583487547 367055406 /nfs/dbraw/zinc/05/54/06/367055406.db2.gz FJVJHBVDYKXREQ-CABCVRRESA-N 1 3 262.397 2.352 10 0 CEAEHO Cc1ccc2nccc(N3CCN(C[C@@H](C)O)[C@H](C)C3)c2c1 ZINC000185640668 368836096 /nfs/dbraw/zinc/83/60/96/368836096.db2.gz MLMVWFSMCTVGJE-HUUCEWRRSA-N 1 3 299.418 2.435 10 0 CEAEHO Cc1ccc2nccc(N3CC[N@@H+](C[C@@H](C)O)[C@H](C)C3)c2c1 ZINC000185640668 368836101 /nfs/dbraw/zinc/83/61/01/368836101.db2.gz MLMVWFSMCTVGJE-HUUCEWRRSA-N 1 3 299.418 2.435 10 0 CEAEHO Cc1ccc2nccc(N3CC[N@H+](C[C@@H](C)O)[C@H](C)C3)c2c1 ZINC000185640668 368836104 /nfs/dbraw/zinc/83/61/04/368836104.db2.gz MLMVWFSMCTVGJE-HUUCEWRRSA-N 1 3 299.418 2.435 10 0 CEAEHO c1ccc(CN2CCCCC[C@H](N[C@H]3CC[NH2+]C3)C2)cc1 ZINC000635023069 369059001 /nfs/dbraw/zinc/05/90/01/369059001.db2.gz RLMADAWTROWQGQ-ROUUACIJSA-N 1 3 287.451 2.383 10 0 CEAEHO Cc1ccc2nccc(N3CC[N@@H+](C[C@@H](C)O)[C@@H](C)C3)c2c1 ZINC000248730174 371239690 /nfs/dbraw/zinc/23/96/90/371239690.db2.gz MLMVWFSMCTVGJE-LSDHHAIUSA-N 1 3 299.418 2.435 10 0 CEAEHO Cc1ccc2nccc(N3CC[N@H+](C[C@@H](C)O)[C@@H](C)C3)c2c1 ZINC000248730174 371239693 /nfs/dbraw/zinc/23/96/93/371239693.db2.gz MLMVWFSMCTVGJE-LSDHHAIUSA-N 1 3 299.418 2.435 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCSc3ccccc3)C[C@@H]12 ZINC000261558240 371645953 /nfs/dbraw/zinc/64/59/53/371645953.db2.gz DBNBYFAWUNPPNB-BPLDGKMQSA-N 1 3 262.422 2.448 10 0 CEAEHO COc1cccc([C@H](C)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261579377 371659552 /nfs/dbraw/zinc/65/95/52/371659552.db2.gz DTURRIKELYQHGP-DDUYRFODSA-N 1 3 260.381 2.425 10 0 CEAEHO COc1cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1C ZINC000262003785 371797829 /nfs/dbraw/zinc/79/78/29/371797829.db2.gz UKEYCQTYCHSDNV-RRFJBIMHSA-N 1 3 260.381 2.173 10 0 CEAEHO O[C@@H]1C[C@H](c2ccc(F)c(F)c2)N(CC2CC[NH2+]CC2)C1 ZINC000262025074 371803446 /nfs/dbraw/zinc/80/34/46/371803446.db2.gz WOCWNZYLNNRQDS-CZUORRHYSA-N 1 3 296.361 2.072 10 0 CEAEHO CC[NH2+][C@H]1[C@H](CN(C)CC(C)(C)O)CCCC1(C)C ZINC000094289004 184775801 /nfs/dbraw/zinc/77/58/01/184775801.db2.gz HOTJGROZNHJRIL-KBPBESRZSA-N 1 3 270.461 2.494 10 0 CEAEHO CN[C@H](CSCC[NH+](C)C)c1ccc(OC)cc1OC ZINC000095021884 184917870 /nfs/dbraw/zinc/91/78/70/184917870.db2.gz XIRVOEPXBWCZID-CQSZACIVSA-N 1 3 298.452 2.259 10 0 CEAEHO C[C@H](CCC[C@H](C)[NH3+])CN1CCN(c2ccccn2)CC1 ZINC000087704509 135050996 /nfs/dbraw/zinc/05/09/96/135050996.db2.gz YKBLCLYRJJVJIF-CVEARBPZSA-N 1 3 290.455 2.357 10 0 CEAEHO C[C@@H]([NH3+])Cc1ccccc1N1CCN2CCCC[C@@H]2C1 ZINC000094444575 135088614 /nfs/dbraw/zinc/08/86/14/135088614.db2.gz HISYOXXVTXEVLG-GDBMZVCRSA-N 1 3 273.424 2.251 10 0 CEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1N[C@@H]1CCC[NH2+][C@@H]1C ZINC000396621711 395217250 /nfs/dbraw/zinc/21/72/50/395217250.db2.gz VCXRSPMVTRCEPQ-AHCXZYCDSA-N 1 3 287.451 2.237 10 0 CEAEHO CCCN1CCN([C@H](C[NH3+])c2ccccc2Cl)CC1 ZINC000020179616 171044411 /nfs/dbraw/zinc/04/44/11/171044411.db2.gz DEDDXMNTNGLNBH-OAHLLOKOSA-N 1 3 281.831 2.367 10 0 CEAEHO CC[C@H](C)C[C@](CC)(CN)[N@@H+]1CCCN(C)CC1 ZINC000020217720 171080424 /nfs/dbraw/zinc/08/04/24/171080424.db2.gz CBYXFOQSWRYYQD-LSDHHAIUSA-N 1 3 255.450 2.168 10 0 CEAEHO CC[C@H](C)C[C@](CC)(CN)[N@H+]1CCCN(C)CC1 ZINC000020217720 171080426 /nfs/dbraw/zinc/08/04/26/171080426.db2.gz CBYXFOQSWRYYQD-LSDHHAIUSA-N 1 3 255.450 2.168 10 0 CEAEHO Cc1ccc(OC[C@H](CC[NH3+])N2CCCC2)cc1C ZINC000020402089 171182192 /nfs/dbraw/zinc/18/21/92/171182192.db2.gz JVJCPNZCXYOXBQ-HNNXBMFYSA-N 1 3 262.397 2.495 10 0 CEAEHO Cc1cccc(C)c1OC[C@@H](CC[NH3+])N1CCCC1 ZINC000020402067 171182461 /nfs/dbraw/zinc/18/24/61/171182461.db2.gz RPKDTFHQGRTRAI-OAHLLOKOSA-N 1 3 262.397 2.495 10 0 CEAEHO NCc1ccccc1NC(=O)CC[NH+]1CCCCCC1 ZINC000022153951 171360702 /nfs/dbraw/zinc/36/07/02/171360702.db2.gz ZWZABJOWXWNZRX-UHFFFAOYSA-N 1 3 275.396 2.350 10 0 CEAEHO C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)N1C[C@H](C)C[C@H](C)C1 ZINC000022211704 171374032 /nfs/dbraw/zinc/37/40/32/171374032.db2.gz UPNZHPTZVINGTP-MJBXVCDLSA-N 1 3 289.423 2.450 10 0 CEAEHO CCOC1CCN(CCCOc2cccc(C[NH3+])c2)CC1 ZINC000040678475 174374887 /nfs/dbraw/zinc/37/48/87/174374887.db2.gz FXHUBTAKGXMSAJ-UHFFFAOYSA-N 1 3 292.423 2.415 10 0 CEAEHO Cc1cccc([C@@H](C[NH3+])N2CCN(CC3CC3)CC2)c1C ZINC000043314884 175004762 /nfs/dbraw/zinc/00/47/62/175004762.db2.gz KUJZZCBCJXDSML-GOSISDBHSA-N 1 3 287.451 2.331 10 0 CEAEHO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N(C)C1CCN(C)CC1 ZINC000043363797 175024030 /nfs/dbraw/zinc/02/40/30/175024030.db2.gz SWEWWNCYVCGELL-ZBFHGGJFSA-N 1 3 279.428 2.392 10 0 CEAEHO CCCN1CCN([C@H]2Cc3ccccc3[C@H]2[NH2+]CC)CC1 ZINC000043805535 175107691 /nfs/dbraw/zinc/10/76/91/175107691.db2.gz AEVRYQRPKVQRBZ-ZWKOTPCHSA-N 1 3 287.451 2.290 10 0 CEAEHO C[NH2+][C@H]1c2ccccc2CCC[C@H]1N1CCCN(C)CC1 ZINC000043818022 175113148 /nfs/dbraw/zinc/11/31/48/175113148.db2.gz MOJPIQRJRKXYRU-MSOLQXFVSA-N 1 3 287.451 2.290 10 0 CEAEHO CCCC(C[NH3+])(CCC)C(=O)NC[C@H]1CCCN1CC ZINC000044794781 175254625 /nfs/dbraw/zinc/25/46/25/175254625.db2.gz MJDVDQOBRPKFGB-CQSZACIVSA-N 1 3 283.460 2.132 10 0 CEAEHO CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](CC(N)=S)c1ccccc1 ZINC000071189185 176064178 /nfs/dbraw/zinc/06/41/78/176064178.db2.gz RYQYBDAULNYYKF-HIFRSBDPSA-N 1 3 291.464 2.287 10 0 CEAEHO CN(C[C@@H]1CC[N@@H+](C)C1)[C@@H](CC(N)=S)c1ccccc1 ZINC000071189185 176064180 /nfs/dbraw/zinc/06/41/80/176064180.db2.gz RYQYBDAULNYYKF-HIFRSBDPSA-N 1 3 291.464 2.287 10 0 CEAEHO CC[C@H]([C@H](O)c1ccccc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190586 176066533 /nfs/dbraw/zinc/06/65/33/176066533.db2.gz FLUJEAHBDVTLQY-DJIMGWMZSA-N 1 3 276.424 2.382 10 0 CEAEHO CC[C@H]([C@H](O)c1ccccc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190586 176066534 /nfs/dbraw/zinc/06/65/34/176066534.db2.gz FLUJEAHBDVTLQY-DJIMGWMZSA-N 1 3 276.424 2.382 10 0 CEAEHO C[C@@H](CN1CCCC1)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071401177 176153375 /nfs/dbraw/zinc/15/33/75/176153375.db2.gz AAOLZPYWPUKKGG-HOCLYGCPSA-N 1 3 289.423 2.067 10 0 CEAEHO C[N@@H+]1CC[C@]2(CCN(C[C@@H]3CCCC3(F)F)C2)C1 ZINC000336268362 277185776 /nfs/dbraw/zinc/18/57/76/277185776.db2.gz AWSUADWUYANQIP-STQMWFEESA-N 1 3 258.356 2.449 10 0 CEAEHO C[N@H+]1CC[C@]2(CCN(C[C@@H]3CCCC3(F)F)C2)C1 ZINC000336268362 277185778 /nfs/dbraw/zinc/18/57/78/277185778.db2.gz AWSUADWUYANQIP-STQMWFEESA-N 1 3 258.356 2.449 10 0 CEAEHO C[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000400767021 279348508 /nfs/dbraw/zinc/34/85/08/279348508.db2.gz ZIFSOCWJOPTZAH-HLLBOEOZSA-N 1 3 275.440 2.095 10 0 CEAEHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)N1CCCCC1 ZINC000262147786 280156899 /nfs/dbraw/zinc/15/68/99/280156899.db2.gz XIASNSUPITWFHD-HUUCEWRRSA-N 1 3 295.471 2.083 10 0 CEAEHO Cc1cc(N2CCO[C@H](CN(C)C)C2)c2ccccc2[nH+]1 ZINC000108951981 280564671 /nfs/dbraw/zinc/56/46/71/280564671.db2.gz RHFURZPJCYCXKO-CQSZACIVSA-N 1 3 285.391 2.310 10 0 CEAEHO C[C@H](NC[C@H](c1ccccc1)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000577204738 314351902 /nfs/dbraw/zinc/35/19/02/314351902.db2.gz DDAUDCZHAZPHQC-BHYGNILZSA-N 1 3 275.440 2.267 10 0 CEAEHO CC(C)C[C@H](CN(C)C)NC1=[NH+]C(C)(C)CS1 ZINC000049559160 519340894 /nfs/dbraw/zinc/34/08/94/519340894.db2.gz OHRKOZPRFFOGGE-LLVKDONJSA-N 1 3 257.447 2.434 10 0 CEAEHO CC(C)C[NH2+]Cc1cnc(N2CCCN(C)CC2)s1 ZINC000054899105 519748447 /nfs/dbraw/zinc/74/84/47/519748447.db2.gz UGXMAYNUTQNMIP-UHFFFAOYSA-N 1 3 282.457 2.031 10 0 CEAEHO CC(C)C[NH2+]C[C@H](C(C)C)N1CCC[C@@H]1CN(C)C ZINC000061654680 519745728 /nfs/dbraw/zinc/74/57/28/519745728.db2.gz AAJFHRBKGGOVSI-HZPDHXFCSA-N 1 3 269.477 2.283 10 0 CEAEHO CCC[NH2+]C[C@@H]1CC[C@H](CN2CCC(OCC)CC2)O1 ZINC000052484083 519927711 /nfs/dbraw/zinc/92/77/11/519927711.db2.gz VECSLBCZCJOZIW-JKSUJKDBSA-N 1 3 284.444 2.035 10 0 CEAEHO CCC[NH2+]Cc1sc(N(C)C2CCN(C)CC2)nc1C ZINC000054994893 519975118 /nfs/dbraw/zinc/97/51/18/519975118.db2.gz ZYDGIDSVJWBAPR-UHFFFAOYSA-N 1 3 296.484 2.482 10 0 CEAEHO CC[NH2+]Cc1sc(N2CCC[C@H]2CN(C)C)nc1C ZINC000061655588 520032428 /nfs/dbraw/zinc/03/24/28/520032428.db2.gz XIZDCIYQMOYHEW-LBPRGKRZSA-N 1 3 282.457 2.091 10 0 CEAEHO C[NH2+]Cc1c2ccccc2oc1CN(C)CCOC ZINC000052572904 522099653 /nfs/dbraw/zinc/09/96/53/522099653.db2.gz WVUIDDNUNFENKE-UHFFFAOYSA-N 1 3 262.353 2.230 10 0 CEAEHO C[NH2+][C@@H]1CCCCC[C@@H]1CN1CCN(CC(C)C)CC1 ZINC000055082052 522376768 /nfs/dbraw/zinc/37/67/68/522376768.db2.gz BEVCWHSXKFPEJC-IAGOWNOFSA-N 1 3 281.488 2.428 10 0 CEAEHO CC(C)(C)[NH2+]CCCCN1CCO[C@@H]2CCC[C@@H]21 ZINC000052540104 518755491 /nfs/dbraw/zinc/75/54/91/518755491.db2.gz AUBBGVPDIJMLIL-UONOGXRCSA-N 1 3 254.418 2.408 10 0 CEAEHO CC(C)(C)[NH2+]C[C@@H]1CC[C@H](COCCN2CCCCC2)O1 ZINC000052671053 518760576 /nfs/dbraw/zinc/76/05/76/518760576.db2.gz RUMCICDBXLFXQT-JKSUJKDBSA-N 1 3 298.471 2.425 10 0 CEAEHO CC(C)C[C@H](CN(C)C)[NH2+]CC[C@@H]1CCCCN1C ZINC000052206055 519339709 /nfs/dbraw/zinc/33/97/09/519339709.db2.gz PVXWKZBFROIWRC-CVEARBPZSA-N 1 3 269.477 2.427 10 0 CEAEHO CC(C)[NH2+]C[C@@]1(CN2CCCCCC2)CCOC1 ZINC000051210426 519724455 /nfs/dbraw/zinc/72/44/55/519724455.db2.gz HZXDHQLOSZKYSH-OAHLLOKOSA-N 1 3 254.418 2.267 10 0 CEAEHO CC(C)NC[C@@]1(C[NH+]2CCCCCC2)CCOC1 ZINC000051210426 519724456 /nfs/dbraw/zinc/72/44/56/519724456.db2.gz HZXDHQLOSZKYSH-OAHLLOKOSA-N 1 3 254.418 2.267 10 0 CEAEHO CC(C)CN1CCN(CC[C@H]([NH3+])c2ccc(F)cc2)CC1 ZINC000055082210 519726273 /nfs/dbraw/zinc/72/62/73/519726273.db2.gz VMSIOXSERNDYNR-KRWDZBQOSA-N 1 3 293.430 2.489 10 0 CEAEHO CC(C)CN1CCN([C@@H](c2ccc(F)cc2)[C@@H](C)[NH3+])CC1 ZINC000055077382 519727410 /nfs/dbraw/zinc/72/74/10/519727410.db2.gz GABWBSMHRGWAIS-RHSMWYFYSA-N 1 3 293.430 2.488 10 0 CEAEHO CC(C)CN1CCN([C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000055079112 519728393 /nfs/dbraw/zinc/72/83/93/519728393.db2.gz DPHPCODUNLNUMY-CVEARBPZSA-N 1 3 267.461 2.310 10 0 CEAEHO CC(C)C[NH2+]CC[C@H](C)N1CCN(C(C)C)CC1 ZINC000052480174 519744063 /nfs/dbraw/zinc/74/40/63/519744063.db2.gz PLGVFXZBHRDABL-HNNXBMFYSA-N 1 3 255.450 2.037 10 0 CEAEHO CC(C)CNCc1cn(CC[N@H+](C)[C@@H](C)C(C)C)nn1 ZINC000052478535 519747960 /nfs/dbraw/zinc/74/79/60/519747960.db2.gz KDEUTNNREDYNIV-AWEZNQCLSA-N 1 3 281.448 2.000 10 0 CEAEHO CC(C)CNCc1cn(CC[N@@H+](C)[C@@H](C)C(C)C)nn1 ZINC000052478535 519747963 /nfs/dbraw/zinc/74/79/63/519747963.db2.gz KDEUTNNREDYNIV-AWEZNQCLSA-N 1 3 281.448 2.000 10 0 CEAEHO CCCN1CCN([C@@H](C)CCC[NH2+]C(C)C)CC1 ZINC000052421971 519859416 /nfs/dbraw/zinc/85/94/16/519859416.db2.gz OUUKVGFJZZNDJG-HNNXBMFYSA-N 1 3 255.450 2.181 10 0 CEAEHO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CCCCN1C ZINC000054602505 519909811 /nfs/dbraw/zinc/90/98/11/519909811.db2.gz AZVYAOOPMFBUHD-HMQMGEFJSA-N 1 3 279.472 2.466 10 0 CEAEHO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CCN1CCCCC1 ZINC000054602464 519909853 /nfs/dbraw/zinc/90/98/53/519909853.db2.gz AKJVVBHIBWANHJ-ALOPSCKCSA-N 1 3 279.472 2.467 10 0 CEAEHO CCNCC1(C[N@H+](C)[C@@H](C)C(C)C)CCOCC1 ZINC000052181734 519912000 /nfs/dbraw/zinc/91/20/00/519912000.db2.gz ASHWMJFTRGBNLC-AWEZNQCLSA-N 1 3 256.434 2.369 10 0 CEAEHO CCNCC1(C[N@@H+](C)[C@@H](C)C(C)C)CCOCC1 ZINC000052181734 519912002 /nfs/dbraw/zinc/91/20/02/519912002.db2.gz ASHWMJFTRGBNLC-AWEZNQCLSA-N 1 3 256.434 2.369 10 0 CEAEHO CCC[NH2+]CCCCN1CCO[C@H]2CCCC[C@@H]21 ZINC000052573024 519912124 /nfs/dbraw/zinc/91/21/24/519912124.db2.gz YORLDGWLJJCSEC-GJZGRUSLSA-N 1 3 254.418 2.410 10 0 CEAEHO CCCNCc1occc1COCCC[NH+](C)C ZINC000052672406 519972778 /nfs/dbraw/zinc/97/27/78/519972778.db2.gz ZOGGGMPOIBDOLH-UHFFFAOYSA-N 1 3 254.374 2.248 10 0 CEAEHO CC[NH2+][C@H](CC)[C@@H](C)N1CCN(CC(C)C)CC1 ZINC000055079129 520183920 /nfs/dbraw/zinc/18/39/20/520183920.db2.gz IUARQHIMRJALOA-HUUCEWRRSA-N 1 3 255.450 2.037 10 0 CEAEHO CCC[C@@H]1C[N@H+](CCn2ccnc2C)[C@@](C)(CC)CN1 ZINC000068701928 520838960 /nfs/dbraw/zinc/83/89/60/520838960.db2.gz PMKJKVXASFLTDU-CVEARBPZSA-N 1 3 278.444 2.434 10 0 CEAEHO CCC[C@@H]1C[N@@H+](CCn2ccnc2C)[C@@](C)(CC)CN1 ZINC000068701928 520838966 /nfs/dbraw/zinc/83/89/66/520838966.db2.gz PMKJKVXASFLTDU-CVEARBPZSA-N 1 3 278.444 2.434 10 0 CEAEHO CCC[C@@](C)(C[NH2+]C)CN1CCN(CC2CC2)CC1 ZINC000051285813 520908355 /nfs/dbraw/zinc/90/83/55/520908355.db2.gz PZFFMNXFEZWUPY-INIZCTEOSA-N 1 3 267.461 2.040 10 0 CEAEHO CCC[C@H](C)[NH2+]CCN1CCN([C@@H](C)CC)CC1 ZINC000055075348 521060444 /nfs/dbraw/zinc/06/04/44/521060444.db2.gz ZIPZHKCBVWTGRB-GJZGRUSLSA-N 1 3 255.450 2.181 10 0 CEAEHO CCC[C@](C)(C[NH3+])CN1CCN([C@H](C)CC)CC1 ZINC000055072096 521267133 /nfs/dbraw/zinc/26/71/33/521267133.db2.gz NEOLEMJFEKEOFU-HUUCEWRRSA-N 1 3 255.450 2.168 10 0 CEAEHO CCCN(CCN(C)C)c1ccc(C(N)=[NH2+])cc1Cl ZINC000062794270 521658680 /nfs/dbraw/zinc/65/86/80/521658680.db2.gz HCZCYGVIXKUDJU-UHFFFAOYSA-N 1 3 282.819 2.402 10 0 CEAEHO C[NH+](C)C[C@H]1CCCN1c1ccc(Cl)cc1CN ZINC000061641578 521873234 /nfs/dbraw/zinc/87/32/34/521873234.db2.gz YZDYCSIOCYUQIC-CYBMUJFWSA-N 1 3 267.804 2.329 10 0 CEAEHO C[NH+](C)C[C@H]1CCCN1c1cc(Cl)ccc1CN ZINC000062787052 521873261 /nfs/dbraw/zinc/87/32/61/521873261.db2.gz XBDZXKFTBJNYHX-CYBMUJFWSA-N 1 3 267.804 2.329 10 0 CEAEHO CNCC1(C[N@H+](C)[C@H](C)C(C)(C)C)CCOCC1 ZINC000052182324 521969942 /nfs/dbraw/zinc/96/99/42/521969942.db2.gz JYPUZGLOXHOEPI-CYBMUJFWSA-N 1 3 256.434 2.369 10 0 CEAEHO CNCC1(C[N@@H+](C)[C@H](C)C(C)(C)C)CCOCC1 ZINC000052182324 521969946 /nfs/dbraw/zinc/96/99/46/521969946.db2.gz JYPUZGLOXHOEPI-CYBMUJFWSA-N 1 3 256.434 2.369 10 0 CEAEHO C[NH2+]CCCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000052416955 521992765 /nfs/dbraw/zinc/99/27/65/521992765.db2.gz ZFNYKRQMNWSBAN-QGZVFWFLSA-N 1 3 275.440 2.365 10 0 CEAEHO C[NH2+]Cc1ccccc1CN(C)[C@@H]1CCSC1 ZINC000052453641 522133224 /nfs/dbraw/zinc/13/32/24/522133224.db2.gz TXVJPUWQXJBRIC-CQSZACIVSA-N 1 3 250.411 2.343 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@@]2(CC)CCC[NH2+]C2)CC1 ZINC000062867964 522124588 /nfs/dbraw/zinc/12/45/88/522124588.db2.gz VERNSEMPRYFTHO-CVEARBPZSA-N 1 3 267.461 2.182 10 0 CEAEHO CC[C@@H](C)N1CCN([C@](C)(C[NH3+])CC(C)C)CC1 ZINC000055064755 522130615 /nfs/dbraw/zinc/13/06/15/522130615.db2.gz WFXUYHUJRKCECB-CABCVRRESA-N 1 3 255.450 2.166 10 0 CEAEHO C[NH2+]Cc1ccoc1CN1CCN(C2CCCC2)CC1 ZINC000052573490 522144160 /nfs/dbraw/zinc/14/41/60/522144160.db2.gz SAZJIJWCZDDDRT-UHFFFAOYSA-N 1 3 277.412 2.059 10 0 CEAEHO C[NH2+]Cc1sc(N2CCC[C@@H]2CN(C)C)nc1C1CC1 ZINC000069182066 522167502 /nfs/dbraw/zinc/16/75/02/522167502.db2.gz CMEHHSKCJKGDHS-GFCCVEGCSA-N 1 3 294.468 2.270 10 0 CEAEHO CN[C@@H](CC[N@@H+]1CCC[C@@H]1CN(C)C)c1ccccc1 ZINC000061653618 522347398 /nfs/dbraw/zinc/34/73/98/522347398.db2.gz VLZWMWZENSAQFO-SJORKVTESA-N 1 3 275.440 2.363 10 0 CEAEHO CN[C@@H](CC[N@H+]1CCC[C@@H]1CN(C)C)c1ccccc1 ZINC000061653618 522347408 /nfs/dbraw/zinc/34/74/08/522347408.db2.gz VLZWMWZENSAQFO-SJORKVTESA-N 1 3 275.440 2.363 10 0 CEAEHO C[NH2+][C@@H]1CCCc2nc(N(C)[C@@H]3CCCN(C)C3)sc21 ZINC000054905597 522390132 /nfs/dbraw/zinc/39/01/32/522390132.db2.gz QEZAJBPMLZPFQV-VXGBXAGGSA-N 1 3 294.468 2.270 10 0 CEAEHO CC[C@@H](C[NH2+]CC(C)C)N1CCC[C@@H]1CN(C)C ZINC000061654708 522547911 /nfs/dbraw/zinc/54/79/11/522547911.db2.gz AXQMZYHJXFATJS-LSDHHAIUSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C[NH3+])c2cc(F)ccc2F)CC1 ZINC000055064301 523957888 /nfs/dbraw/zinc/95/78/88/523957888.db2.gz DUAPZTDVQSFLFV-LRDDRELGSA-N 1 3 297.393 2.381 10 0 CEAEHO CC[C@H](C)N1CCN([C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000055065520 523959643 /nfs/dbraw/zinc/95/96/43/523959643.db2.gz AUUNBEWLCWEJHZ-KKUMJFAQSA-N 1 3 253.434 2.063 10 0 CEAEHO CN(CCC[NH+](C)C)[C@H](CN)c1cc2ccccc2o1 ZINC000068812116 524053324 /nfs/dbraw/zinc/05/33/24/524053324.db2.gz SDOHBHRHGCAMEG-CQSZACIVSA-N 1 3 275.396 2.316 10 0 CEAEHO C[C@H](CCC[NH3+])N1CCN(c2ccc(F)cc2)CC1 ZINC000052418217 524139545 /nfs/dbraw/zinc/13/95/45/524139545.db2.gz MOMBHGZYPARUNO-CYBMUJFWSA-N 1 3 265.376 2.075 10 0 CEAEHO Cc1cc(F)ccc1[C@H](CN)N1CCC([NH+](C)C)CC1 ZINC000050578630 525008557 /nfs/dbraw/zinc/00/85/57/525008557.db2.gz YHTJHZUIBJLBKT-INIZCTEOSA-N 1 3 279.403 2.160 10 0 CEAEHO Cc1cc([C@@H](C[NH3+])N2CCN(CC3CC3)CC2)ccc1F ZINC000050546350 525482085 /nfs/dbraw/zinc/48/20/85/525482085.db2.gz FRDFZCNELONGGE-QGZVFWFLSA-N 1 3 291.414 2.162 10 0 CEAEHO Cc1ccc([C@H](C[NH3+])N2CCN(CC3CC3)CC2)c(C)c1 ZINC000048991969 525952230 /nfs/dbraw/zinc/95/22/30/525952230.db2.gz UZOXHNNZQBJWSY-SFHVURJKSA-N 1 3 287.451 2.331 10 0 CEAEHO Cc1ccc([C@H](N)[C@@H](C)[N@H+](C)C2CCN(C)CC2)cc1 ZINC000052684846 525962212 /nfs/dbraw/zinc/96/22/12/525962212.db2.gz FFYVNILILIJHOV-RHSMWYFYSA-N 1 3 275.440 2.409 10 0 CEAEHO Cc1ccc([C@H](N)[C@@H](C)[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000052684846 525962221 /nfs/dbraw/zinc/96/22/21/525962221.db2.gz FFYVNILILIJHOV-RHSMWYFYSA-N 1 3 275.440 2.409 10 0 CEAEHO C[C@H]1CCCC[C@H]1[NH2+]CCN1CCC[C@@H]1CN(C)C ZINC000061655242 526262337 /nfs/dbraw/zinc/26/23/37/526262337.db2.gz HLYKZQWPKJZXNO-ARFHVFGLSA-N 1 3 267.461 2.181 10 0 CEAEHO Cc1nc(N(C)C2CCN(C)CC2)sc1C[NH2+]C(C)C ZINC000054994894 526950250 /nfs/dbraw/zinc/95/02/50/526950250.db2.gz FPBJGZPHTZUUGT-UHFFFAOYSA-N 1 3 296.484 2.480 10 0 CEAEHO Cc1nc(N2CCCN(C)CC2)sc1C[NH2+]C(C)C ZINC000054968950 526964343 /nfs/dbraw/zinc/96/43/43/526964343.db2.gz LDIJPWCACGOENH-UHFFFAOYSA-N 1 3 282.457 2.091 10 0 CEAEHO NCC1(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)CCOCC1 ZINC000052182010 527163163 /nfs/dbraw/zinc/16/31/63/527163163.db2.gz UUPHXTZMTDXDIJ-CABCVRRESA-N 1 3 266.429 2.397 10 0 CEAEHO NCC1(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)CCOCC1 ZINC000052182010 527163169 /nfs/dbraw/zinc/16/31/69/527163169.db2.gz UUPHXTZMTDXDIJ-CABCVRRESA-N 1 3 266.429 2.397 10 0 CEAEHO [NH3+]Cc1ccc(O[C@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000061702138 527257218 /nfs/dbraw/zinc/25/72/18/527257218.db2.gz IPAOYSIABQQELH-INIZCTEOSA-N 1 3 283.375 2.194 10 0 CEAEHO NCc1sc(N2CC[C@@H]([NH+]3CCCC3)C2)nc1C1CC1 ZINC000069182620 527268637 /nfs/dbraw/zinc/26/86/37/527268637.db2.gz MWBJIELBFVVJMZ-GFCCVEGCSA-N 1 3 292.452 2.154 10 0 CEAEHO CC(C)[C@H]1[NH2+]C2(CCN(C)CC2)OCC12CCC2 ZINC000757138789 574510159 /nfs/dbraw/zinc/51/01/59/574510159.db2.gz DRPIVZQAIJGDON-CYBMUJFWSA-N 1 3 252.402 2.223 10 0 CEAEHO Brc1ccc(CCNC2CC[NH2+]CC2)s1 ZINC000226372463 639539506 /nfs/dbraw/zinc/53/95/06/639539506.db2.gz YNCBCWSQMYRSBU-UHFFFAOYSA-N 1 3 289.242 2.395 10 0 CEAEHO Brc1ccc(CC[NH2+]C2CCNCC2)s1 ZINC000226372463 639539512 /nfs/dbraw/zinc/53/95/12/639539512.db2.gz YNCBCWSQMYRSBU-UHFFFAOYSA-N 1 3 289.242 2.395 10 0 CEAEHO C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2cc(OC)ccc21 ZINC000082509390 178075995 /nfs/dbraw/zinc/07/59/95/178075995.db2.gz JCNWENHEZAFQKN-CQSZACIVSA-N 1 3 276.380 2.203 10 0 CEAEHO CN[C@](C)(CO)C[C@@H](C)[N@H+](CCC(C)C)C1CC1 ZINC000096836997 185116670 /nfs/dbraw/zinc/11/66/70/185116670.db2.gz HGFCDSYFWPJGHT-HIFRSBDPSA-N 1 3 256.434 2.246 10 0 CEAEHO CN[C@](C)(CO)C[C@@H](C)[N@@H+](CCC(C)C)C1CC1 ZINC000096836997 185116672 /nfs/dbraw/zinc/11/66/72/185116672.db2.gz HGFCDSYFWPJGHT-HIFRSBDPSA-N 1 3 256.434 2.246 10 0 CEAEHO C[NH2+][C@](C)(CO)C[C@@H](C)N(CCC(C)C)C1CC1 ZINC000096836997 185116674 /nfs/dbraw/zinc/11/66/74/185116674.db2.gz HGFCDSYFWPJGHT-HIFRSBDPSA-N 1 3 256.434 2.246 10 0 CEAEHO CN(C)Cc1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000054307360 362525625 /nfs/dbraw/zinc/52/56/25/362525625.db2.gz UNBAELQMMAUMNY-CQSZACIVSA-N 1 3 275.396 2.076 10 0 CEAEHO [NH3+]C1(CCNCCc2cscn2)CCCCC1 ZINC000084189116 178821930 /nfs/dbraw/zinc/82/19/30/178821930.db2.gz QKYCKZQTZFTEIT-UHFFFAOYSA-N 1 3 253.415 2.327 10 0 CEAEHO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccccc1CN1CCCC1 ZINC000085364726 179035816 /nfs/dbraw/zinc/03/58/16/179035816.db2.gz JGKTWKRVXSSTPH-HUUCEWRRSA-N 1 3 287.407 2.348 10 0 CEAEHO CC(C)[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086173729 179244122 /nfs/dbraw/zinc/24/41/22/179244122.db2.gz AFLHUGRBBIJFPQ-ZACQAIPSSA-N 1 3 281.488 2.283 10 0 CEAEHO CC(C)[C@@H]1CN[C@@H](C(C)C)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086173729 179244125 /nfs/dbraw/zinc/24/41/25/179244125.db2.gz AFLHUGRBBIJFPQ-ZACQAIPSSA-N 1 3 281.488 2.283 10 0 CEAEHO CC[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086173703 179244494 /nfs/dbraw/zinc/24/44/94/179244494.db2.gz QQPPEAIKAZMYBL-BZUAXINKSA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@@H]1CN[C@@H](C(C)C)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086173703 179244497 /nfs/dbraw/zinc/24/44/97/179244497.db2.gz QQPPEAIKAZMYBL-BZUAXINKSA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@H](C)[C@@H]1CN([C@@H]2CCN(C3CC3)C2)[C@@H](CC)C[NH2+]1 ZINC000086173846 179244839 /nfs/dbraw/zinc/24/48/39/179244839.db2.gz DOYYFNQAINNHNT-DIECFANBSA-N 1 3 279.472 2.322 10 0 CEAEHO CC[C@H]1CNC2(CCCCC2)C[N@@H+]1[C@@H]1CCCN(C)C1 ZINC000086223971 179252977 /nfs/dbraw/zinc/25/29/77/179252977.db2.gz KFKRHWOOPQUDPX-JKSUJKDBSA-N 1 3 279.472 2.467 10 0 CEAEHO CC[C@H]1CNC2(CCCCC2)C[N@H+]1[C@@H]1CCCN(C)C1 ZINC000086223971 179252979 /nfs/dbraw/zinc/25/29/79/179252979.db2.gz KFKRHWOOPQUDPX-JKSUJKDBSA-N 1 3 279.472 2.467 10 0 CEAEHO CC[C@H]1C[NH2+]C2(CCCCC2)CN1[C@@H]1CCCN(C)C1 ZINC000086223971 179252981 /nfs/dbraw/zinc/25/29/81/179252981.db2.gz KFKRHWOOPQUDPX-JKSUJKDBSA-N 1 3 279.472 2.467 10 0 CEAEHO CC[C@@H]1C[N@H+](C[C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086259255 179257679 /nfs/dbraw/zinc/25/76/79/179257679.db2.gz LHOSADJYZMMTKL-OAGGEKHMSA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@@H]1C[N@@H+](C[C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086259255 179257680 /nfs/dbraw/zinc/25/76/80/179257680.db2.gz LHOSADJYZMMTKL-OAGGEKHMSA-N 1 3 267.461 2.037 10 0 CEAEHO CN1CCC[C@@H]([N@@H+]2CCCN[C@](C)(c3ccccc3)C2)C1 ZINC000086288937 179264868 /nfs/dbraw/zinc/26/48/68/179264868.db2.gz NVSXFLAPBLCVJZ-MSOLQXFVSA-N 1 3 287.451 2.291 10 0 CEAEHO CN1CCC[C@@H]([N@H+]2CCCN[C@](C)(c3ccccc3)C2)C1 ZINC000086288937 179264869 /nfs/dbraw/zinc/26/48/69/179264869.db2.gz NVSXFLAPBLCVJZ-MSOLQXFVSA-N 1 3 287.451 2.291 10 0 CEAEHO COC[C@@H](C)C[N@@H+]1CCCNC2(CCCCC2)C1 ZINC000086293190 179266931 /nfs/dbraw/zinc/26/69/31/179266931.db2.gz MQPJRMMRXCWHFN-AWEZNQCLSA-N 1 3 254.418 2.267 10 0 CEAEHO COC[C@@H](C)C[N@H+]1CCCNC2(CCCCC2)C1 ZINC000086293190 179266934 /nfs/dbraw/zinc/26/69/34/179266934.db2.gz MQPJRMMRXCWHFN-AWEZNQCLSA-N 1 3 254.418 2.267 10 0 CEAEHO COC[C@@H](C)CN1CCC[NH2+]C2(CCCCC2)C1 ZINC000086293190 179266935 /nfs/dbraw/zinc/26/69/35/179266935.db2.gz MQPJRMMRXCWHFN-AWEZNQCLSA-N 1 3 254.418 2.267 10 0 CEAEHO CC[NH2+][C@H]1CCCc2sc(N3CCCN(C)CC3)nc21 ZINC000086441957 179294141 /nfs/dbraw/zinc/29/41/41/179294141.db2.gz ABDZERZARIJWSA-LBPRGKRZSA-N 1 3 294.468 2.272 10 0 CEAEHO CC(C)C[C@@H](CN(C)C)[NH2+][C@H]1CCCN(C)CC1 ZINC000086818581 179347074 /nfs/dbraw/zinc/34/70/74/179347074.db2.gz RPMMBQBEYBWYOU-GJZGRUSLSA-N 1 3 255.450 2.037 10 0 CEAEHO CCC(CC)[N@H+](CCOC)[C@@]1(CN)CCCN(CC)CC1 ZINC000086848162 179355989 /nfs/dbraw/zinc/35/59/89/179355989.db2.gz CIMMVIQLCWNZDA-KRWDZBQOSA-N 1 3 299.503 2.327 10 0 CEAEHO CCC(CC)[N@@H+](CCOC)[C@@]1(CN)CCCN(CC)CC1 ZINC000086848162 179355991 /nfs/dbraw/zinc/35/59/91/179355991.db2.gz CIMMVIQLCWNZDA-KRWDZBQOSA-N 1 3 299.503 2.327 10 0 CEAEHO CC(C)N(C)CCN[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086844337 179354444 /nfs/dbraw/zinc/35/44/44/179354444.db2.gz FKAPFSDGYJEJNT-OAHLLOKOSA-N 1 3 255.450 2.179 10 0 CEAEHO CC(C)N(C)CCN[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086844337 179354446 /nfs/dbraw/zinc/35/44/46/179354446.db2.gz FKAPFSDGYJEJNT-OAHLLOKOSA-N 1 3 255.450 2.179 10 0 CEAEHO C[C@@H]1CCC[C@](CN)([N@H+](C)[C@@H]2CCCN(C)C2)CC1 ZINC000086891296 179365892 /nfs/dbraw/zinc/36/58/92/179365892.db2.gz CROVVDPPUYFATI-OAGGEKHMSA-N 1 3 267.461 2.310 10 0 CEAEHO C[C@@H]1CCC[C@](CN)([N@@H+](C)[C@@H]2CCCN(C)C2)CC1 ZINC000086891296 179365893 /nfs/dbraw/zinc/36/58/93/179365893.db2.gz CROVVDPPUYFATI-OAGGEKHMSA-N 1 3 267.461 2.310 10 0 CEAEHO CC(C)[C@H]1CCC[C@](CO)(N2CCC[NH2+]CC2)CC1 ZINC000086952107 179368774 /nfs/dbraw/zinc/36/87/74/179368774.db2.gz QOQCCWMEXLJLRX-HOTGVXAUSA-N 1 3 268.445 2.249 10 0 CEAEHO C[C@H]1CCC[C@](O)(C[NH2+]CCCN2CCCC2)C1 ZINC000087064891 179390334 /nfs/dbraw/zinc/39/03/34/179390334.db2.gz HWMFFINWOATIEN-LSDHHAIUSA-N 1 3 254.418 2.003 10 0 CEAEHO C[C@H]1CCC[C@](O)(CNCCC[NH+]2CCCC2)C1 ZINC000087064891 179390336 /nfs/dbraw/zinc/39/03/36/179390336.db2.gz HWMFFINWOATIEN-LSDHHAIUSA-N 1 3 254.418 2.003 10 0 CEAEHO C[C@H](N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400342606 233176700 /nfs/dbraw/zinc/17/67/00/233176700.db2.gz JDXFSBWLHGIFLG-SZMVWBNQSA-N 1 3 287.451 2.239 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[N@@H+]1CCCC(C)(C)C1 ZINC000090567042 180006627 /nfs/dbraw/zinc/00/66/27/180006627.db2.gz AINFCZSAOGMXAJ-UONOGXRCSA-N 1 3 254.418 2.123 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[N@H+]1CCCC(C)(C)C1 ZINC000090567042 180006629 /nfs/dbraw/zinc/00/66/29/180006629.db2.gz AINFCZSAOGMXAJ-UONOGXRCSA-N 1 3 254.418 2.123 10 0 CEAEHO CCC[NH2+][C@@H]1COC[C@@H]1CN1CCCC(C)(C)C1 ZINC000090567042 180006630 /nfs/dbraw/zinc/00/66/30/180006630.db2.gz AINFCZSAOGMXAJ-UONOGXRCSA-N 1 3 254.418 2.123 10 0 CEAEHO C[N@H+](CC[C@H]1CNCCO1)Cc1ccc(Cl)cc1 ZINC000091313763 180132689 /nfs/dbraw/zinc/13/26/89/180132689.db2.gz LRMJLRGBCQTUOM-AWEZNQCLSA-N 1 3 268.788 2.150 10 0 CEAEHO C[N@@H+](CC[C@H]1CNCCO1)Cc1ccc(Cl)cc1 ZINC000091313763 180132690 /nfs/dbraw/zinc/13/26/90/180132690.db2.gz LRMJLRGBCQTUOM-AWEZNQCLSA-N 1 3 268.788 2.150 10 0 CEAEHO CC(C)c1c(C[NH2+]C(C)(C)C)cnn1CCN(C)C ZINC000091338607 180136585 /nfs/dbraw/zinc/13/65/85/180136585.db2.gz RDXJKMPCRHAFBN-UHFFFAOYSA-N 1 3 266.433 2.456 10 0 CEAEHO CC[NH+](CC)CCOc1cncc(CNC(C)(C)C)n1 ZINC000091434577 180154282 /nfs/dbraw/zinc/15/42/82/180154282.db2.gz ITYJGLUKEJGYAL-UHFFFAOYSA-N 1 3 280.416 2.085 10 0 CEAEHO C[NH2+][C@H](CCN(C)CC1CC(O)C1)c1ccccc1C ZINC000091490965 180170235 /nfs/dbraw/zinc/17/02/35/180170235.db2.gz KXANUGYHRUELCS-VMBOVVBDSA-N 1 3 276.424 2.348 10 0 CEAEHO CC[NH2+][C@@H]1CCC(C)(C)C[C@H]1CN(C)CC1CC(O)C1 ZINC000091498835 180173574 /nfs/dbraw/zinc/17/35/74/180173574.db2.gz CGNFCXIMUYEBBZ-BHDPWAOGSA-N 1 3 282.472 2.494 10 0 CEAEHO CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CN(C)CC1CC(O)C1 ZINC000091499031 180173691 /nfs/dbraw/zinc/17/36/91/180173691.db2.gz VHUIQLDBIZAUND-AMPGOEKISA-N 1 3 282.472 2.494 10 0 CEAEHO CCCN(CCN(C)C)CC(C)(C)[C@H](C)[NH2+]CC ZINC000091403883 180147043 /nfs/dbraw/zinc/14/70/43/180147043.db2.gz KTDRVEUHJGETDU-AWEZNQCLSA-N 1 3 257.466 2.284 10 0 CEAEHO CC[NH2+][C@H](C)C(C)(C)CN(CCO)C(CC)CC ZINC000091404077 180147207 /nfs/dbraw/zinc/14/72/07/180147207.db2.gz QIVYTNDVRDZHQX-CYBMUJFWSA-N 1 3 258.450 2.494 10 0 CEAEHO CCN[C@H](C)C(C)(C)C[N@H+](CCO)C(CC)CC ZINC000091404077 180147209 /nfs/dbraw/zinc/14/72/09/180147209.db2.gz QIVYTNDVRDZHQX-CYBMUJFWSA-N 1 3 258.450 2.494 10 0 CEAEHO CCN[C@H](C)C(C)(C)C[N@@H+](CCO)C(CC)CC ZINC000091404077 180147210 /nfs/dbraw/zinc/14/72/10/180147210.db2.gz QIVYTNDVRDZHQX-CYBMUJFWSA-N 1 3 258.450 2.494 10 0 CEAEHO CC[NH2+][C@@H](C)C(C)(C)CN1CCC(COC)CC1 ZINC000091405241 180147634 /nfs/dbraw/zinc/14/76/34/180147634.db2.gz WGJRXWUHNDNAKM-ZDUSSCGKSA-N 1 3 256.434 2.369 10 0 CEAEHO CC[C@](C)([C@H]([NH3+])Cc1ccnc(N)c1)N1CCCCC1 ZINC000091609002 180205243 /nfs/dbraw/zinc/20/52/43/180205243.db2.gz BEHQXPMGCVWSFK-GDBMZVCRSA-N 1 3 276.428 2.188 10 0 CEAEHO [NH3+][C@H]1CC[C@H](C(=O)Nc2cccc(CN3CCCC3)c2)C1 ZINC000091548863 180188473 /nfs/dbraw/zinc/18/84/73/180188473.db2.gz CPCBRSSPTQVZBP-GJZGRUSLSA-N 1 3 287.407 2.348 10 0 CEAEHO Nc1cc[nH+]cc1CC(=O)C1(N2CCCC2)CCCC1 ZINC000091640061 180212404 /nfs/dbraw/zinc/21/24/04/180212404.db2.gz RJBMGYMAZQEXSF-UHFFFAOYSA-N 1 3 273.380 2.184 10 0 CEAEHO C[NH2+][C@H]([C@H]1CCOC1)C1(N2CCCC2)CCCC1 ZINC000091640859 180213032 /nfs/dbraw/zinc/21/30/32/180213032.db2.gz ZABQPVOOKBPTSG-UONOGXRCSA-N 1 3 252.402 2.020 10 0 CEAEHO Nc1ccncc1C[C@@H]([NH3+])C1(N2CCCCC2)CCCC1 ZINC000091641862 180213103 /nfs/dbraw/zinc/21/31/03/180213103.db2.gz AEJOAHGPUSFIAL-MRXNPFEDSA-N 1 3 288.439 2.332 10 0 CEAEHO CC[C@@H](C)n1ccc(C[C@H]([NH3+])CCN(CC)CC)n1 ZINC000091715732 180232864 /nfs/dbraw/zinc/23/28/64/180232864.db2.gz UUQMKSAIEAAAIF-ZIAGYGMSSA-N 1 3 266.433 2.456 10 0 CEAEHO CCCn1cncc1CN(CC)C1CCC([NH3+])CC1 ZINC000091849650 180271435 /nfs/dbraw/zinc/27/14/35/180271435.db2.gz NRKFBGZBQCBYMM-UHFFFAOYSA-N 1 3 264.417 2.385 10 0 CEAEHO CCC[NH2+]C1CCC(N(C)CC(=O)NCCC(C)C)CC1 ZINC000091870112 180276894 /nfs/dbraw/zinc/27/68/94/180276894.db2.gz TVOKTKFXYPFQJM-UHFFFAOYSA-N 1 3 297.487 2.391 10 0 CEAEHO CCC[NH2+]C1CCC(N(C)CC(=O)N(C)C(C)C)CC1 ZINC000091870036 180277267 /nfs/dbraw/zinc/27/72/67/180277267.db2.gz FHEOIXPHRZPYQX-UHFFFAOYSA-N 1 3 283.460 2.096 10 0 CEAEHO C[NH2+]C1CCC(N(C)CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000091872909 180277841 /nfs/dbraw/zinc/27/78/41/180277841.db2.gz OCUIRGFYQFPLPE-PJPHBNEVSA-N 1 3 295.471 2.238 10 0 CEAEHO C[NH2+]C1CCC(N(C)C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000091872276 180278213 /nfs/dbraw/zinc/27/82/13/180278213.db2.gz UJVSUQWKUKCMRS-GJROSEKXSA-N 1 3 295.471 2.237 10 0 CEAEHO CCC[C@H](CC[NH3+])CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000092004222 180304379 /nfs/dbraw/zinc/30/43/79/180304379.db2.gz REOVFBRFVZCDFN-XHSDSOJGSA-N 1 3 295.471 2.227 10 0 CEAEHO COc1ccc(OCC[NH2+]CCCN2CCCC2)cc1 ZINC000105972719 186094638 /nfs/dbraw/zinc/09/46/38/186094638.db2.gz ZNUFNYNWNCRHKJ-UHFFFAOYSA-N 1 3 278.396 2.150 10 0 CEAEHO CCC[NH2+][C@@H](C)[C@H](C)c1nc(CCN(CC)CC)no1 ZINC000109496303 186257021 /nfs/dbraw/zinc/25/70/21/186257021.db2.gz POJCYJWCCLPNCI-STQMWFEESA-N 1 3 282.432 2.446 10 0 CEAEHO C[NH+](C)[C@H]1CCN(c2nc(C(C)(C)C)c(CN)s2)C1 ZINC000110275272 186289837 /nfs/dbraw/zinc/28/98/37/186289837.db2.gz ZBXYNDUVYMKRTI-JTQLQIEISA-N 1 3 282.457 2.040 10 0 CEAEHO CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(C)c(F)c2)CCN1C ZINC000110977980 186338818 /nfs/dbraw/zinc/33/88/18/186338818.db2.gz HLFXULZMTMKNTM-ZBFHGGJFSA-N 1 3 279.403 2.160 10 0 CEAEHO Cc1ccc([C@H](C[NH3+])N2CCN(C)C(C)(C)C2)cc1 ZINC000110704893 186313824 /nfs/dbraw/zinc/31/38/24/186313824.db2.gz AAGLLTQWMCKJQV-HNNXBMFYSA-N 1 3 261.413 2.021 10 0 CEAEHO CC[NH2+]CC1(CN2CCN(C)[C@@H](CC)C2)CCCC1 ZINC000110746367 186318599 /nfs/dbraw/zinc/31/85/99/186318599.db2.gz WILABBYVTHTRTG-HNNXBMFYSA-N 1 3 267.461 2.182 10 0 CEAEHO C[C@@H]1CN(Cc2ccccc2C[NH2+]C2CC2)CCN1C ZINC000110752280 186320906 /nfs/dbraw/zinc/32/09/06/186320906.db2.gz LQRJFEDARZORCV-CQSZACIVSA-N 1 3 273.424 2.075 10 0 CEAEHO CC[C@H]1CN(CC[NH2+][C@@H](C)CCC(C)C)CCN1C ZINC000110757116 186321237 /nfs/dbraw/zinc/32/12/37/186321237.db2.gz KLRTVIXXNFOJCU-HOTGVXAUSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@H]1CN([C@@H](C[NH2+]CC(C)C)C(C)C)CCN1C ZINC000110754196 186321797 /nfs/dbraw/zinc/32/17/97/186321797.db2.gz XWFCLIUTWVBDEH-HOTGVXAUSA-N 1 3 269.477 2.283 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](C[NH3+])c2cccc(F)c2F)CC1 ZINC000111039968 186346466 /nfs/dbraw/zinc/34/64/66/186346466.db2.gz OMMXUDOOJDPPSY-DOMZBBRYSA-N 1 3 297.393 2.381 10 0 CEAEHO CC(C)CN(CCN(C)C)c1ccc(F)cc1C(N)=[NH2+] ZINC000111034401 186346778 /nfs/dbraw/zinc/34/67/78/186346778.db2.gz YZGCQNCXURMXEO-UHFFFAOYSA-N 1 3 280.391 2.134 10 0 CEAEHO CC[NH+]1CCC(N(C)[C@@H](CN)c2cccc(F)c2F)CC1 ZINC000111039762 186346845 /nfs/dbraw/zinc/34/68/45/186346845.db2.gz SFKMZXIWTUCJIC-HNNXBMFYSA-N 1 3 297.393 2.381 10 0 CEAEHO CCc1nc(N(C)CCC[NH+](C)C)sc1CNC1CC1 ZINC000111152037 186360697 /nfs/dbraw/zinc/36/06/97/186360697.db2.gz VJVJHFNRWGNYDE-UHFFFAOYSA-N 1 3 296.484 2.345 10 0 CEAEHO CC[NH2+][C@H](C)c1sc(N(C)CCN(C)C)nc1C ZINC000111151319 186360961 /nfs/dbraw/zinc/36/09/61/186360961.db2.gz COJPSELPWANYOS-SNVBAGLBSA-N 1 3 270.446 2.120 10 0 CEAEHO CC[C@H]([NH3+])[C@H](c1ccc(C)cc1)N(C)CCN(C)C ZINC000111129605 186356005 /nfs/dbraw/zinc/35/60/05/186356005.db2.gz JTXPMJCBIQGUCU-HOTGVXAUSA-N 1 3 263.429 2.267 10 0 CEAEHO CN(C)CCN(C)[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000111132549 186356501 /nfs/dbraw/zinc/35/65/01/186356501.db2.gz UGMMOOBGKYZNNE-QGZVFWFLSA-N 1 3 271.408 2.333 10 0 CEAEHO CC(C)Oc1cccc([C@@H](CN)N(C)CCC[NH+](C)C)c1 ZINC000111133960 186356599 /nfs/dbraw/zinc/35/65/99/186356599.db2.gz KFTLCWITZHYCMU-QGZVFWFLSA-N 1 3 293.455 2.357 10 0 CEAEHO CC[NH2+][C@H]1c2ccccc2CC[C@@H]1N(C)CCN(C)C ZINC000111134503 186356974 /nfs/dbraw/zinc/35/69/74/186356974.db2.gz RNGJPBLVQMJOPI-IRXDYDNUSA-N 1 3 275.440 2.145 10 0 CEAEHO CN(C)CCN(C)C[C@H]([NH3+])c1cccc2ccccc21 ZINC000111134688 186357463 /nfs/dbraw/zinc/35/74/63/186357463.db2.gz DXDSBBYSBJDNEL-KRWDZBQOSA-N 1 3 271.408 2.333 10 0 CEAEHO CC[NH2+][C@@H](CN(C)CCN(C)C)c1ccc(C)c(C)c1 ZINC000111134486 186357698 /nfs/dbraw/zinc/35/76/98/186357698.db2.gz DBBGDICCOIKUMX-KRWDZBQOSA-N 1 3 277.456 2.447 10 0 CEAEHO CCC[NH2+][C@H](CN(C)CCN(C)C)c1ccc(OC)cc1 ZINC000111135333 186357779 /nfs/dbraw/zinc/35/77/79/186357779.db2.gz XDVWFHJDJUXEEZ-QGZVFWFLSA-N 1 3 293.455 2.229 10 0 CEAEHO CC[NH2+][C@H]1CCCCCC[C@@H]1N(C)CCN(C)C ZINC000111135482 186358076 /nfs/dbraw/zinc/35/80/76/186358076.db2.gz DKURWPHEWYPGDV-GJZGRUSLSA-N 1 3 255.450 2.181 10 0 CEAEHO Cc1cc(C)c(C[NH2+]C(C)C)c(N(C)CCN(C)C)n1 ZINC000111148852 186358907 /nfs/dbraw/zinc/35/89/07/186358907.db2.gz WRPWAKUVITUHSA-UHFFFAOYSA-N 1 3 278.444 2.194 10 0 CEAEHO CCC(CC)(CNC)C[N@H+](C)CC1CCOCC1 ZINC000111172477 186364754 /nfs/dbraw/zinc/36/47/54/186364754.db2.gz UZMMBRCRCRCVHX-UHFFFAOYSA-N 1 3 256.434 2.371 10 0 CEAEHO CCC(CC)(CNC)C[N@@H+](C)CC1CCOCC1 ZINC000111172477 186364755 /nfs/dbraw/zinc/36/47/55/186364755.db2.gz UZMMBRCRCRCVHX-UHFFFAOYSA-N 1 3 256.434 2.371 10 0 CEAEHO CCNC[C@]1(C[NH+]2CCCCCC2)CCCOC1 ZINC000111323901 186397196 /nfs/dbraw/zinc/39/71/96/186397196.db2.gz GDNFYDYXWQQCMU-HNNXBMFYSA-N 1 3 254.418 2.269 10 0 CEAEHO CC[NH2+]C[C@]1(CN2CCCCCC2)CCCOC1 ZINC000111323901 186397197 /nfs/dbraw/zinc/39/71/97/186397197.db2.gz GDNFYDYXWQQCMU-HNNXBMFYSA-N 1 3 254.418 2.269 10 0 CEAEHO CCC[NH2+]C[C@]1(CN2CCCC[C@@H]2CCO)CCCOC1 ZINC000111324384 186397410 /nfs/dbraw/zinc/39/74/10/186397410.db2.gz ZNKCISQGOYATEE-SJORKVTESA-N 1 3 298.471 2.020 10 0 CEAEHO CC(C)C[NH2+]C[C@]1(CN2CCCC2)CCCOC1 ZINC000111323637 186397434 /nfs/dbraw/zinc/39/74/34/186397434.db2.gz SCMNPKHIGKCXFC-HNNXBMFYSA-N 1 3 254.418 2.125 10 0 CEAEHO C[C@@H](C(=O)N1CCCC1)N1CCC(C[NH2+]C(C)(C)C)CC1 ZINC000111697124 186445805 /nfs/dbraw/zinc/44/58/05/186445805.db2.gz BKOQPIPJKRYIIJ-AWEZNQCLSA-N 1 3 295.471 2.097 10 0 CEAEHO CC[NH2+]Cc1cccc(NC(=O)[C@H](N)[C@H](C)CC)c1 ZINC000123913359 187114836 /nfs/dbraw/zinc/11/48/36/187114836.db2.gz VUUPOFCEMMWBLS-BXUZGUMPSA-N 1 3 263.385 2.108 10 0 CEAEHO C[C@H](NCCCOC1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400429680 299294345 /nfs/dbraw/zinc/29/43/45/299294345.db2.gz ZRPJLWHHCIQWHD-KBPBESRZSA-N 1 3 254.418 2.313 10 0 CEAEHO CN(Cc1ccc(Br)nc1)CC1CC[NH2+]CC1 ZINC000095071334 364330840 /nfs/dbraw/zinc/33/08/40/364330840.db2.gz KWVYGOYUXPHSHZ-UHFFFAOYSA-N 1 3 298.228 2.276 10 0 CEAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)N1CCCCCC1 ZINC000245437224 370819421 /nfs/dbraw/zinc/81/94/21/370819421.db2.gz WHZLLCWFNSVMDB-HOTGVXAUSA-N 1 3 295.471 2.194 10 0 CEAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)N1CCCCCC1 ZINC000245437224 370819427 /nfs/dbraw/zinc/81/94/27/370819427.db2.gz WHZLLCWFNSVMDB-HOTGVXAUSA-N 1 3 295.471 2.194 10 0 CEAEHO C[C@@H]1CN(CCSc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000631837694 367577203 /nfs/dbraw/zinc/57/72/03/367577203.db2.gz WFIHSTUJTNAMJS-VXGBXAGGSA-N 1 3 268.401 2.444 10 0 CEAEHO C[C@@H]1CN(Cc2ccc(OC(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631840694 367581704 /nfs/dbraw/zinc/58/17/04/367581704.db2.gz DTMNUPMAEDPCBM-PWSUYJOCSA-N 1 3 270.323 2.315 10 0 CEAEHO CCc1cnc(CNC[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000234223402 189821475 /nfs/dbraw/zinc/82/14/75/189821475.db2.gz IORDGVYASMQZBN-GHMZBOCLSA-N 1 3 253.415 2.313 10 0 CEAEHO CC(C)C[C@H](CO)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251406255 371400714 /nfs/dbraw/zinc/40/07/14/371400714.db2.gz MWMDYRPADANDEL-RBSFLKMASA-N 1 3 256.434 2.294 10 0 CEAEHO Cc1cnn(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000261648733 371692244 /nfs/dbraw/zinc/69/22/44/371692244.db2.gz QJNRDQBZCSBOOG-BZUAXINKSA-N 1 3 276.428 2.092 10 0 CEAEHO NNc1cccc(N[C@@H]2CCN(Cc3ccccc3)C2)[nH+]1 ZINC000307321212 376563485 /nfs/dbraw/zinc/56/34/85/376563485.db2.gz WMEKBROKUAFBJI-CQSZACIVSA-N 1 3 283.379 2.054 10 0 CEAEHO C[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000562960089 377036446 /nfs/dbraw/zinc/03/64/46/377036446.db2.gz AZJDRUXVZCRCJU-XYJFISCASA-N 1 3 289.467 2.485 10 0 CEAEHO CCCC[NH+](CCCC)CC[C@H]1CCC[C@]1(N)C(N)=O ZINC000093585830 184693380 /nfs/dbraw/zinc/69/33/80/184693380.db2.gz NGAMIUDUQROKSQ-GDBMZVCRSA-N 1 3 283.460 2.262 10 0 CEAEHO O[C@H]1CCCC[C@@H]1[NH+]1CCC(N2CCCCC2)CC1 ZINC000040694319 285362081 /nfs/dbraw/zinc/36/20/81/285362081.db2.gz YKKZNQFUGPKJAF-HOTGVXAUSA-N 1 3 266.429 2.240 10 0 CEAEHO CCNCc1ccnc(N2CCC(C[NH+](C)C)CC2)c1F ZINC000097878154 134514752 /nfs/dbraw/zinc/51/47/52/134514752.db2.gz MKTPXFHULJOQKA-UHFFFAOYSA-N 1 3 294.418 2.108 10 0 CEAEHO Cc1cccc(N2CCN(CCC(C)(C)C(N)=[NH2+])CC2)c1 ZINC000087593376 135050845 /nfs/dbraw/zinc/05/08/45/135050845.db2.gz YIWQSZSUOOTBCH-UHFFFAOYSA-N 1 3 288.439 2.469 10 0 CEAEHO CCCNCc1cccnc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000091449193 135070633 /nfs/dbraw/zinc/07/06/33/135070633.db2.gz WTTBAPFKOBDWPY-OAHLLOKOSA-N 1 3 276.428 2.112 10 0 CEAEHO C[C@@H]([NH3+])CCNCc1ccc(Br)cc1 ZINC000258815658 394598225 /nfs/dbraw/zinc/59/82/25/394598225.db2.gz SXMPWKJLAXYLFH-SECBINFHSA-N 1 3 257.175 2.276 10 0 CEAEHO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2C[C@@H]2CCCNC2)C1 ZINC000261947699 394610468 /nfs/dbraw/zinc/61/04/68/394610468.db2.gz NMNJBSYIEAIIOX-UUAJXVIYSA-N 1 3 280.456 2.248 10 0 CEAEHO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2C[C@@H]2CCCNC2)C1 ZINC000261947699 394610474 /nfs/dbraw/zinc/61/04/74/394610474.db2.gz NMNJBSYIEAIIOX-UUAJXVIYSA-N 1 3 280.456 2.248 10 0 CEAEHO C[C@@H]1CC[C@@H](CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)O1 ZINC000381292402 395174046 /nfs/dbraw/zinc/17/40/46/395174046.db2.gz JZAQESWTZLKLBK-SIXLDLHFSA-N 1 3 274.408 2.228 10 0 CEAEHO CCCN(CCC)CC(=O)Nc1ccccc1C[NH3+] ZINC000022151710 171358866 /nfs/dbraw/zinc/35/88/66/171358866.db2.gz UYIOJZWAAFLCCK-UHFFFAOYSA-N 1 3 263.385 2.206 10 0 CEAEHO CCN1CCC([NH2+][C@H](C)[C@@H]2CCCN(CC)C2)CC1 ZINC000038098047 174111933 /nfs/dbraw/zinc/11/19/33/174111933.db2.gz RKFMIEFCFBFHFB-HUUCEWRRSA-N 1 3 267.461 2.181 10 0 CEAEHO C[C@H]([NH2+]CCN1CCCCCC1)[C@@H]1CCCN(C)C1 ZINC000040767726 174398235 /nfs/dbraw/zinc/39/82/35/174398235.db2.gz NRKUNMSHTOQDIK-JKSUJKDBSA-N 1 3 267.461 2.182 10 0 CEAEHO CC[C@H]([NH3+])[C@@H](c1ccncc1)N1CCN(C(C)(C)C)CC1 ZINC000043354131 175021374 /nfs/dbraw/zinc/02/13/74/175021374.db2.gz CGNHOZPHMHQCDI-JKSUJKDBSA-N 1 3 290.455 2.276 10 0 CEAEHO CCC[NH2+][C@@H](CN(C)C1CCN(C)CC1)C(C)(C)C ZINC000043815407 175112248 /nfs/dbraw/zinc/11/22/48/175112248.db2.gz VVVFOXRPLLJDDG-HNNXBMFYSA-N 1 3 269.477 2.427 10 0 CEAEHO CCC[C@@H]([NH2+]CC)[C@H](CC)N1CCCN(C)CC1 ZINC000043818427 175113284 /nfs/dbraw/zinc/11/32/84/175113284.db2.gz RWVSFYITABCJKN-CABCVRRESA-N 1 3 255.450 2.181 10 0 CEAEHO C[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CCN(C(C)C)CC1 ZINC000043896877 175119116 /nfs/dbraw/zinc/11/91/16/175119116.db2.gz OMYFSVLEMPZRJL-NVXWUHKLSA-N 1 3 275.440 2.362 10 0 CEAEHO C[NH2+][C@H]1c2ccccc2CC[C@H]1N1CCN(C(C)C)CC1 ZINC000043897005 175119899 /nfs/dbraw/zinc/11/98/99/175119899.db2.gz FIHKGXYIQWPHAI-MSOLQXFVSA-N 1 3 287.451 2.288 10 0 CEAEHO CCCC(C[NH3+])(CCC)C(=O)NC[C@@H]1CCCN1CC ZINC000044794778 175254598 /nfs/dbraw/zinc/25/45/98/175254598.db2.gz MJDVDQOBRPKFGB-AWEZNQCLSA-N 1 3 283.460 2.132 10 0 CEAEHO CN1CC[C@@H](C[N@H+](C)Cc2ccc(Cl)c(N)c2)C1 ZINC000071187769 176062134 /nfs/dbraw/zinc/06/21/34/176062134.db2.gz KXPKTRJAFRQDTH-GFCCVEGCSA-N 1 3 267.804 2.306 10 0 CEAEHO CN1CC[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(N)c2)C1 ZINC000071187769 176062135 /nfs/dbraw/zinc/06/21/35/176062135.db2.gz KXPKTRJAFRQDTH-GFCCVEGCSA-N 1 3 267.804 2.306 10 0 CEAEHO Cc1ccc(C)c([C@@H](N)CN(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071188749 176063828 /nfs/dbraw/zinc/06/38/28/176063828.db2.gz WKODBTBTILBNJR-WBVHZDCISA-N 1 3 275.440 2.187 10 0 CEAEHO Cc1ccc(C)c([C@@H](N)CN(C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000071188749 176063829 /nfs/dbraw/zinc/06/38/29/176063829.db2.gz WKODBTBTILBNJR-WBVHZDCISA-N 1 3 275.440 2.187 10 0 CEAEHO CN1CC[C@@H](C[N@H+](C)CC[C@H](N)c2ccccc2F)C1 ZINC000071191261 176069352 /nfs/dbraw/zinc/06/93/52/176069352.db2.gz QBKZWWRHPFGSKS-CJNGLKHVSA-N 1 3 279.403 2.099 10 0 CEAEHO CN1CC[C@@H](C[N@@H+](C)CC[C@H](N)c2ccccc2F)C1 ZINC000071191261 176069353 /nfs/dbraw/zinc/06/93/53/176069353.db2.gz QBKZWWRHPFGSKS-CJNGLKHVSA-N 1 3 279.403 2.099 10 0 CEAEHO Cc1oc(CNC2CC2)cc1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192076 176073899 /nfs/dbraw/zinc/07/38/99/176073899.db2.gz MDKYDJMSXOBXQH-CQSZACIVSA-N 1 3 291.439 2.224 10 0 CEAEHO Cc1oc(CNC2CC2)cc1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192076 176073901 /nfs/dbraw/zinc/07/39/01/176073901.db2.gz MDKYDJMSXOBXQH-CQSZACIVSA-N 1 3 291.439 2.224 10 0 CEAEHO CC[NH2+][C@@H]1CCN(C2CCN(Cc3ccccc3)CC2)C1 ZINC000071198101 176076622 /nfs/dbraw/zinc/07/66/22/176076622.db2.gz OXWLSAQOQFNQAZ-QGZVFWFLSA-N 1 3 287.451 2.335 10 0 CEAEHO CCC[NH2+]CCCCCCN1CCN(CC)CC1 ZINC000071287500 176109678 /nfs/dbraw/zinc/10/96/78/176109678.db2.gz AHXLBSLJJNXAEJ-UHFFFAOYSA-N 1 3 255.450 2.184 10 0 CEAEHO CC[C@H]1C[N@H+](CCn2ccnc2C)C(CC)(CC)CN1 ZINC000071345090 176131670 /nfs/dbraw/zinc/13/16/70/176131670.db2.gz HGOAMDBUKCJARD-HNNXBMFYSA-N 1 3 278.444 2.434 10 0 CEAEHO CC[C@H]1C[N@@H+](CCn2ccnc2C)C(CC)(CC)CN1 ZINC000071345090 176131672 /nfs/dbraw/zinc/13/16/72/176131672.db2.gz HGOAMDBUKCJARD-HNNXBMFYSA-N 1 3 278.444 2.434 10 0 CEAEHO CC[C@]1(C)CN(CCn2ccnc2C)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071358092 176138102 /nfs/dbraw/zinc/13/81/02/176138102.db2.gz YWRONTJWPLVIKD-IAGOWNOFSA-N 1 3 290.455 2.434 10 0 CEAEHO CC(C)[C@@H](CN(C)C)NC(=O)CC[C@@H](CC[NH3+])C(C)(C)C ZINC000079292593 177465364 /nfs/dbraw/zinc/46/53/64/177465364.db2.gz LUDGNCJYMNTADV-LSDHHAIUSA-N 1 3 299.503 2.480 10 0 CEAEHO COc1ccc(CN(C)C)cc1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136334227 419442848 /nfs/dbraw/zinc/44/28/48/419442848.db2.gz OWZYJQPNJVOTQL-CYBMUJFWSA-N 1 3 293.411 2.069 10 0 CEAEHO C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCNC1 ZINC000566967548 299032271 /nfs/dbraw/zinc/03/22/71/299032271.db2.gz GWMZKUWRQGAZHN-KHMAMNHCSA-N 1 3 254.418 2.168 10 0 CEAEHO C[C@H](CN(C)Cc1ccccc1)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000516272846 313086067 /nfs/dbraw/zinc/08/60/67/313086067.db2.gz MZURLLMHXHEIDL-JFIYKMOQSA-N 1 3 289.467 2.485 10 0 CEAEHO C(C[N@H+]1CCC[C@H]1C1CCCC1)NC1CCOCC1 ZINC000062767794 518390000 /nfs/dbraw/zinc/39/00/00/518390000.db2.gz SJGMJMZKGLWKIG-INIZCTEOSA-N 1 3 266.429 2.410 10 0 CEAEHO CCCNCc1cc(COCC[NH+](C)C)c(C)o1 ZINC000052669894 519944636 /nfs/dbraw/zinc/94/46/36/519944636.db2.gz KAKIHAWBUQTTQL-UHFFFAOYSA-N 1 3 254.374 2.166 10 0 CEAEHO CC[NH2+]Cc1ccc(CN(C)[C@H](C)COC)cc1 ZINC000052511848 519996534 /nfs/dbraw/zinc/99/65/34/519996534.db2.gz KBSWDXKOUGAPAV-CYBMUJFWSA-N 1 3 250.386 2.263 10 0 CEAEHO CCCCCC[NH2+]CCN1CCC[C@@H]1CN(C)C ZINC000061655100 520092940 /nfs/dbraw/zinc/09/29/40/520092940.db2.gz NDZVMCPFLYOWMO-OAHLLOKOSA-N 1 3 255.450 2.182 10 0 CEAEHO CCO[C@@H](C[NH3+])CCN(C)Cc1ccc(F)cc1 ZINC000062740903 520307024 /nfs/dbraw/zinc/30/70/24/520307024.db2.gz PHFUNBBKJGFKMX-CQSZACIVSA-N 1 3 254.349 2.011 10 0 CEAEHO CCO[C@H](C[NH3+])CCN(C)Cc1ccc(F)cc1 ZINC000062740902 520516581 /nfs/dbraw/zinc/51/65/81/520516581.db2.gz PHFUNBBKJGFKMX-AWEZNQCLSA-N 1 3 254.349 2.011 10 0 CEAEHO CCCN(CCN(C)C)[C@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050558622 521657831 /nfs/dbraw/zinc/65/78/31/521657831.db2.gz GMHOEVVRUPKASG-MRXNPFEDSA-N 1 3 281.419 2.408 10 0 CEAEHO CC[C@@H](C)N1CCN(CC[C@@H]([NH2+]C)C(C)(C)C)CC1 ZINC000055072444 522122444 /nfs/dbraw/zinc/12/24/44/522122444.db2.gz ZSJHKYIFRWKLQT-HUUCEWRRSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000055064169 522129255 /nfs/dbraw/zinc/12/92/55/522129255.db2.gz ABWNVHQQXNHJNM-BZUAXINKSA-N 1 3 267.461 2.310 10 0 CEAEHO C(C[N@@H+]1CCC[C@H]1C1CCCC1)NC1CCOCC1 ZINC000062767794 518389997 /nfs/dbraw/zinc/38/99/97/518389997.db2.gz SJGMJMZKGLWKIG-INIZCTEOSA-N 1 3 266.429 2.410 10 0 CEAEHO CC(C)N(CCCO)[C@H](CC[NH3+])c1ccccc1 ZINC000055017103 519644806 /nfs/dbraw/zinc/64/48/06/519644806.db2.gz CMYBGSKKAJRNGJ-OAHLLOKOSA-N 1 3 250.386 2.169 10 0 CEAEHO CC(C)[N@H+](CCCO)[C@H](CCN)c1ccccc1 ZINC000055017103 519644808 /nfs/dbraw/zinc/64/48/08/519644808.db2.gz CMYBGSKKAJRNGJ-OAHLLOKOSA-N 1 3 250.386 2.169 10 0 CEAEHO CC(C)[N@@H+](CCCO)[C@H](CCN)c1ccccc1 ZINC000055017103 519644810 /nfs/dbraw/zinc/64/48/10/519644810.db2.gz CMYBGSKKAJRNGJ-OAHLLOKOSA-N 1 3 250.386 2.169 10 0 CEAEHO CC(C)[NH2+]C[C@@H](OCCN(C)C)c1ccccc1 ZINC000052669935 519723225 /nfs/dbraw/zinc/72/32/25/519723225.db2.gz VTYHDHICLAPOTD-OAHLLOKOSA-N 1 3 250.386 2.304 10 0 CEAEHO CC(C)NCc1cc(N2CCC[C@H]2C[NH+](C)C)ccn1 ZINC000061654176 519726803 /nfs/dbraw/zinc/72/68/03/519726803.db2.gz BYLDGJHGWVPCFF-INIZCTEOSA-N 1 3 276.428 2.110 10 0 CEAEHO CC(C)CN1CCN([C@@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000055078697 519727844 /nfs/dbraw/zinc/72/78/44/519727844.db2.gz URDBDEHJLFPFOC-IXDOHACOSA-N 1 3 281.488 2.412 10 0 CEAEHO CCCC(C[NH3+])(CCC)C(=O)N1CCC[C@@H]1CN(C)C ZINC000061644063 519885196 /nfs/dbraw/zinc/88/51/96/519885196.db2.gz RRTZHTGYPCPJMQ-CQSZACIVSA-N 1 3 283.460 2.084 10 0 CEAEHO CCNCc1cc(C[N@H+](C)C2CCOCC2)c(C)o1 ZINC000052481277 519988875 /nfs/dbraw/zinc/98/88/75/519988875.db2.gz WUEPLYFWWRHHRS-UHFFFAOYSA-N 1 3 266.385 2.308 10 0 CEAEHO CCNCc1cc(C[N@@H+](C)C2CCOCC2)c(C)o1 ZINC000052481277 519988881 /nfs/dbraw/zinc/98/88/81/519988881.db2.gz WUEPLYFWWRHHRS-UHFFFAOYSA-N 1 3 266.385 2.308 10 0 CEAEHO CCC[NH2+][C@H](CC)[C@@H](C)N1CCN(CC(C)C)CC1 ZINC000055079377 520066685 /nfs/dbraw/zinc/06/66/85/520066685.db2.gz UPPURYPUDNTFNC-HZPDHXFCSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[NH2+][C@H](CC)[C@H](C)N1CCN([C@@H](C)CC)CC1 ZINC000055065609 520183705 /nfs/dbraw/zinc/18/37/05/520183705.db2.gz JIOKGUPKFLECIP-SOUVJXGZSA-N 1 3 255.450 2.179 10 0 CEAEHO CC[NH2+][C@H]1CCC[C@H]1CN1CCN([C@@H](C)CC)CC1 ZINC000055072250 520215639 /nfs/dbraw/zinc/21/56/39/520215639.db2.gz MFBFREPHGNQKHT-JYJNAYRXSA-N 1 3 267.461 2.181 10 0 CEAEHO CC1CCC([N@H+](C)Cc2ccnc(C(=N)N)c2)CC1 ZINC000068761402 520938168 /nfs/dbraw/zinc/93/81/68/520938168.db2.gz JCZIDGVPOKYFPK-UHFFFAOYSA-N 1 3 260.385 2.376 10 0 CEAEHO CC1CCC([N@@H+](C)Cc2ccnc(C(=N)N)c2)CC1 ZINC000068761402 520938181 /nfs/dbraw/zinc/93/81/81/520938181.db2.gz JCZIDGVPOKYFPK-UHFFFAOYSA-N 1 3 260.385 2.376 10 0 CEAEHO CCC[C@H](C)[N@H+](C)CCn1cc(CNCC(C)C)nn1 ZINC000052480671 521035333 /nfs/dbraw/zinc/03/53/33/521035333.db2.gz DBGXPKACIYTCJZ-AWEZNQCLSA-N 1 3 281.448 2.144 10 0 CEAEHO CCC[C@H](C)[N@@H+](C)CCn1cc(CNCC(C)C)nn1 ZINC000052480671 521035341 /nfs/dbraw/zinc/03/53/41/521035341.db2.gz DBGXPKACIYTCJZ-AWEZNQCLSA-N 1 3 281.448 2.144 10 0 CEAEHO CCCC[C@@](CC)(CN)[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000069381132 521121890 /nfs/dbraw/zinc/12/18/90/521121890.db2.gz IWGGIRZHTOMRKB-CABCVRRESA-N 1 3 255.450 2.168 10 0 CEAEHO CCCC[C@@](CC)(CN)[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000069381132 521121895 /nfs/dbraw/zinc/12/18/95/521121895.db2.gz IWGGIRZHTOMRKB-CABCVRRESA-N 1 3 255.450 2.168 10 0 CEAEHO CCCc1nc(N2CCN(CC(C)C)CC2)sc1C[NH3+] ZINC000055076599 521532257 /nfs/dbraw/zinc/53/22/57/521532257.db2.gz BFJDNZSTUUWCLM-UHFFFAOYSA-N 1 3 296.484 2.332 10 0 CEAEHO CN(C)C[C@H]1CCCN1CC[NH2+]C1CCCCCC1 ZINC000061655122 521868275 /nfs/dbraw/zinc/86/82/75/521868275.db2.gz IVVORPIMUDRCSQ-MRXNPFEDSA-N 1 3 267.461 2.325 10 0 CEAEHO C[NH2+]C[C@H]1CCN(CCCN(C)c2ccccc2)C1 ZINC000053011980 522090465 /nfs/dbraw/zinc/09/04/65/522090465.db2.gz IJSLMBZXVLOVKO-OAHLLOKOSA-N 1 3 261.413 2.054 10 0 CEAEHO CC[C@@H](C)N1CCN(CC(CC)(CC)C[NH2+]C)CC1 ZINC000055072183 522119595 /nfs/dbraw/zinc/11/95/95/522119595.db2.gz JCQLUWSZZFFEST-OAHLLOKOSA-N 1 3 269.477 2.428 10 0 CEAEHO CC[C@@H](C)N1CCN(CC[NH2+]CCc2ccsc2)CC1 ZINC000055075477 522121101 /nfs/dbraw/zinc/12/11/01/522121101.db2.gz VDRHADNDNBOBMG-OAHLLOKOSA-N 1 3 295.496 2.296 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@@H]([NH2+]C)C(C)(C)C)CC1 ZINC000055065219 522121263 /nfs/dbraw/zinc/12/12/63/522121263.db2.gz KDKARGWBQBALTF-ZIAGYGMSSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@@H]2CCCC[C@@H]2[NH2+]C)CC1 ZINC000055072562 522124383 /nfs/dbraw/zinc/12/43/83/522124383.db2.gz BLIDCSDEMZZBOK-PMPSAXMXSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](C[NH3+])c2cc(F)ccc2F)CC1 ZINC000055064300 522128242 /nfs/dbraw/zinc/12/82/42/522128242.db2.gz DUAPZTDVQSFLFV-WBMJQRKESA-N 1 3 297.393 2.381 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000055064562 522128894 /nfs/dbraw/zinc/12/88/94/522128894.db2.gz FDNWQTFRSBTKRO-ZBFHGGJFSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000055064173 522131668 /nfs/dbraw/zinc/13/16/68/522131668.db2.gz ABWNVHQQXNHJNM-OAGGEKHMSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@@H](C)N1CCN(c2nc(C)cc(C)c2C[NH2+]C)CC1 ZINC000055073329 522138067 /nfs/dbraw/zinc/13/80/67/522138067.db2.gz PXEWKOHOLZTRTO-OAHLLOKOSA-N 1 3 290.455 2.338 10 0 CEAEHO CC[C@H](C[NH2+]C(C)C)N1CCN(C(C)(C)C)CC1 ZINC000052571589 522191831 /nfs/dbraw/zinc/19/18/31/522191831.db2.gz DKQUYKVRLOJHAP-CQSZACIVSA-N 1 3 255.450 2.179 10 0 CEAEHO C[NH2+][C@@H]1CCCCC[C@H]1CN1CCN(CC(C)C)CC1 ZINC000055082050 522378544 /nfs/dbraw/zinc/37/85/44/522378544.db2.gz BEVCWHSXKFPEJC-DLBZAZTESA-N 1 3 281.488 2.428 10 0 CEAEHO COC1CCN(C[C@@H]2CC[C@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052455443 522703970 /nfs/dbraw/zinc/70/39/70/522703970.db2.gz FLOMHAIRHWRYTA-CABCVRRESA-N 1 3 284.444 2.033 10 0 CEAEHO CN(CCc1ccccn1)Cc1cc(F)ccc1C[NH3+] ZINC000069401169 522965603 /nfs/dbraw/zinc/96/56/03/522965603.db2.gz PLCFGOGMAOTYSP-UHFFFAOYSA-N 1 3 273.355 2.354 10 0 CEAEHO COCCCN(CCOC)[C@H](CC[NH3+])c1ccccc1 ZINC000055016974 523257443 /nfs/dbraw/zinc/25/74/43/523257443.db2.gz SCDLHJSDZQLAOC-MRXNPFEDSA-N 1 3 280.412 2.061 10 0 CEAEHO CC[C@@H]1CSC(N[C@H](C)CN2CCCCC2)=[NH+]1 ZINC000049502344 523519960 /nfs/dbraw/zinc/51/99/60/523519960.db2.gz XFEKWZVCGAIXDA-VXGBXAGGSA-N 1 3 255.431 2.332 10 0 CEAEHO CC[C@H](C)[N@H+](CC)CCn1cc(CNCC(C)C)nn1 ZINC000052451271 523934015 /nfs/dbraw/zinc/93/40/15/523934015.db2.gz HVCBZRVCTDOCDE-AWEZNQCLSA-N 1 3 281.448 2.144 10 0 CEAEHO CC[C@H](C)[N@@H+](CC)CCn1cc(CNCC(C)C)nn1 ZINC000052451271 523934019 /nfs/dbraw/zinc/93/40/19/523934019.db2.gz HVCBZRVCTDOCDE-AWEZNQCLSA-N 1 3 281.448 2.144 10 0 CEAEHO CC[C@H](C)N1CCN(CCC[NH2+]C(C)(C)C)CC1 ZINC000055069228 523953429 /nfs/dbraw/zinc/95/34/29/523953429.db2.gz RUFWWFYIPTWLPU-AWEZNQCLSA-N 1 3 255.450 2.181 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000055074752 523955266 /nfs/dbraw/zinc/95/52/66/523955266.db2.gz QSEFDWGEVFLTDC-CABCVRRESA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@H](C)N1CCN(Cc2ccc(C(N)=[NH2+])cc2F)CC1 ZINC000055067247 523956858 /nfs/dbraw/zinc/95/68/58/523956858.db2.gz IKBIBXOYJNASNS-LBPRGKRZSA-N 1 3 292.402 2.026 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000055065513 523957672 /nfs/dbraw/zinc/95/76/72/523957672.db2.gz AUUNBEWLCWEJHZ-SOUVJXGZSA-N 1 3 253.434 2.063 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C)CC[NH2+]CC(C)C)CC1 ZINC000055074882 523958564 /nfs/dbraw/zinc/95/85/64/523958564.db2.gz NNBQFLGLRLHAPS-HOTGVXAUSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C[NH2+]C(C)C)C(C)C)CC1 ZINC000055074468 523959546 /nfs/dbraw/zinc/95/95/46/523959546.db2.gz PFTGWDYJVYCBEO-JKSUJKDBSA-N 1 3 269.477 2.425 10 0 CEAEHO Cc1ccccc1[C@H]([C@H](C)N)[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061642049 525433243 /nfs/dbraw/zinc/43/32/43/525433243.db2.gz IYGAXUXKUSPRHZ-UXLLHSPISA-N 1 3 275.440 2.409 10 0 CEAEHO Cc1ccccc1[C@H]([C@H](C)N)[N@H+]1CCC[C@@H]1CN(C)C ZINC000061642049 525433252 /nfs/dbraw/zinc/43/32/52/525433252.db2.gz IYGAXUXKUSPRHZ-UXLLHSPISA-N 1 3 275.440 2.409 10 0 CEAEHO Cc1ccc([C@@H](CN)N2CCC[C@@H]2C[NH+](C)C)s1 ZINC000061642061 525756139 /nfs/dbraw/zinc/75/61/39/525756139.db2.gz DHCQHUSJZWKWQG-CHWSQXEVSA-N 1 3 267.442 2.082 10 0 CEAEHO Cc1ccsc1[C@@H](C[NH3+])N1CCN(CC(C)C)CC1 ZINC000055077418 525870599 /nfs/dbraw/zinc/87/05/99/525870599.db2.gz YEXKUPCMHGROEK-CQSZACIVSA-N 1 3 281.469 2.330 10 0 CEAEHO [NH3+]C1CCC(N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000055144252 527140000 /nfs/dbraw/zinc/14/00/00/527140000.db2.gz UDXIFVWZXCLKOS-UHFFFAOYSA-N 1 3 277.387 2.218 10 0 CEAEHO [NH3+]Cc1ccc(O[C@@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000061702139 527257435 /nfs/dbraw/zinc/25/74/35/527257435.db2.gz IPAOYSIABQQELH-MRXNPFEDSA-N 1 3 283.375 2.194 10 0 CEAEHO CC[NH2+]Cc1ccc(N2C[C@H]3CCCCN3C[C@@H]2C)nc1 ZINC000094443279 535479915 /nfs/dbraw/zinc/47/99/15/535479915.db2.gz IQIDCAWYKVLUCZ-GOEBONIOSA-N 1 3 288.439 2.254 10 0 CEAEHO C[C@@H](CSC(C)(C)C)NC[C@H](O)C[NH+]1CCCCC1 ZINC000151292732 639255375 /nfs/dbraw/zinc/25/53/75/639255375.db2.gz HMRABIBORWYMTE-KBPBESRZSA-N 1 3 288.501 2.343 10 0 CEAEHO CCc1nc(CCN(C)C)sc1C[NH2+]C(C)C ZINC000082425746 178000090 /nfs/dbraw/zinc/00/00/90/178000090.db2.gz DCCXYPRDBPVFIC-UHFFFAOYSA-N 1 3 255.431 2.308 10 0 CEAEHO CCc1nc(CC[NH+](CC)CC)sc1CNC ZINC000082425771 178000705 /nfs/dbraw/zinc/00/07/05/178000705.db2.gz GNCGZIMXTSVRLO-UHFFFAOYSA-N 1 3 255.431 2.309 10 0 CEAEHO CCCc1nc(CCN(C)C)sc1C[NH2+]CC ZINC000082428817 178005137 /nfs/dbraw/zinc/00/51/37/178005137.db2.gz NRAURDUBDSGNEK-UHFFFAOYSA-N 1 3 255.431 2.309 10 0 CEAEHO CC1CC[NH+](C2CCC(NC3COC3)CC2)CC1 ZINC000336618246 365726013 /nfs/dbraw/zinc/72/60/13/365726013.db2.gz OKIPXGWPVVRPSA-UHFFFAOYSA-N 1 3 252.402 2.018 10 0 CEAEHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@]1(C)CCCCN1 ZINC000136193254 344384018 /nfs/dbraw/zinc/38/40/18/344384018.db2.gz LHMLWLNGXSKWOS-HOCLYGCPSA-N 1 3 283.460 2.145 10 0 CEAEHO CCC1(CC)C[N@H+](CCn2ccnc2C)[C@H](C2CC2)CN1 ZINC000085519111 179088078 /nfs/dbraw/zinc/08/80/78/179088078.db2.gz NSLADRPGZCDBRW-INIZCTEOSA-N 1 3 290.455 2.434 10 0 CEAEHO CCC1(CC)C[N@@H+](CCn2ccnc2C)[C@H](C2CC2)CN1 ZINC000085519111 179088079 /nfs/dbraw/zinc/08/80/79/179088079.db2.gz NSLADRPGZCDBRW-INIZCTEOSA-N 1 3 290.455 2.434 10 0 CEAEHO CC[C@@](C[NH3+])(C1CC1)N1CCN(C2CCCC2)CC1 ZINC000086120648 179235145 /nfs/dbraw/zinc/23/51/45/179235145.db2.gz PVZHDCOZPOIHRP-MRXNPFEDSA-N 1 3 265.445 2.064 10 0 CEAEHO CC[C@H]1C[NH2+][C@H](CC(C)C)CN1[C@@H]1CCCN(C)C1 ZINC000086224011 179252955 /nfs/dbraw/zinc/25/29/55/179252955.db2.gz GCKFSOSLVDFSLD-OWCLPIDISA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1CN[C@H](CC(C)C)C[N@@H+]1[C@@H]1CCCN(C)C1 ZINC000086224011 179252958 /nfs/dbraw/zinc/25/29/58/179252958.db2.gz GCKFSOSLVDFSLD-OWCLPIDISA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1CN[C@H](CC(C)C)C[N@H+]1[C@@H]1CCCN(C)C1 ZINC000086224011 179252960 /nfs/dbraw/zinc/25/29/60/179252960.db2.gz GCKFSOSLVDFSLD-OWCLPIDISA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1[C@@H]1CCCN(C)C1 ZINC000086223941 179253557 /nfs/dbraw/zinc/25/35/57/179253557.db2.gz FIARODJHDJJYLD-RRFJBIMHSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1CN[C@@H](C(C)(C)C)C[N@H+]1[C@@H]1CCCN(C)C1 ZINC000086223941 179253560 /nfs/dbraw/zinc/25/35/60/179253560.db2.gz FIARODJHDJJYLD-RRFJBIMHSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@]1(C)C[N@H+](C[C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086259209 179258110 /nfs/dbraw/zinc/25/81/10/179258110.db2.gz BBDKCWVJMMOAJQ-IXDOHACOSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@]1(C)C[N@@H+](C[C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086259209 179258111 /nfs/dbraw/zinc/25/81/11/179258111.db2.gz BBDKCWVJMMOAJQ-IXDOHACOSA-N 1 3 281.488 2.427 10 0 CEAEHO CN1CCCC[C@H]1C[N@@H+]1CCCN[C@@H](C(C)(C)C)C1 ZINC000086291706 179266396 /nfs/dbraw/zinc/26/63/96/179266396.db2.gz RBIKWVHGKAXETO-LSDHHAIUSA-N 1 3 267.461 2.181 10 0 CEAEHO CN1CCCC[C@H]1C[N@H+]1CCCN[C@@H](C(C)(C)C)C1 ZINC000086291706 179266398 /nfs/dbraw/zinc/26/63/98/179266398.db2.gz RBIKWVHGKAXETO-LSDHHAIUSA-N 1 3 267.461 2.181 10 0 CEAEHO CN1CCCC[C@H]1CN1CCC[NH2+][C@@H](C(C)(C)C)C1 ZINC000086291706 179266400 /nfs/dbraw/zinc/26/64/00/179266400.db2.gz RBIKWVHGKAXETO-LSDHHAIUSA-N 1 3 267.461 2.181 10 0 CEAEHO CO[C@H]1CCC[C@H]1[N@@H+]1CCCNC2(CCCC2)C1 ZINC000086293542 179268251 /nfs/dbraw/zinc/26/82/51/179268251.db2.gz GDVFXJXNYGERHL-KGLIPLIRSA-N 1 3 252.402 2.162 10 0 CEAEHO CO[C@H]1CCC[C@H]1[N@H+]1CCCNC2(CCCC2)C1 ZINC000086293542 179268253 /nfs/dbraw/zinc/26/82/53/179268253.db2.gz GDVFXJXNYGERHL-KGLIPLIRSA-N 1 3 252.402 2.162 10 0 CEAEHO CO[C@H]1CCC[C@H]1N1CCC[NH2+]C2(CCCC2)C1 ZINC000086293542 179268256 /nfs/dbraw/zinc/26/82/56/179268256.db2.gz GDVFXJXNYGERHL-KGLIPLIRSA-N 1 3 252.402 2.162 10 0 CEAEHO CCC[C@H](COC)[N@@H+]1CCCN[C@@](C)(C2CC2)C1 ZINC000086299577 179269183 /nfs/dbraw/zinc/26/91/83/179269183.db2.gz XJANCCZWQRFXND-HUUCEWRRSA-N 1 3 254.418 2.266 10 0 CEAEHO CCC[C@H](COC)[N@H+]1CCCN[C@@](C)(C2CC2)C1 ZINC000086299577 179269185 /nfs/dbraw/zinc/26/91/85/179269185.db2.gz XJANCCZWQRFXND-HUUCEWRRSA-N 1 3 254.418 2.266 10 0 CEAEHO CCC[C@H](COC)N1CCC[NH2+][C@@](C)(C2CC2)C1 ZINC000086299577 179269187 /nfs/dbraw/zinc/26/91/87/179269187.db2.gz XJANCCZWQRFXND-HUUCEWRRSA-N 1 3 254.418 2.266 10 0 CEAEHO CC(C)[N@@H+]1CCC[C@H](NC[C@@H]2CCCCO2)CC1 ZINC000086843149 179353336 /nfs/dbraw/zinc/35/33/36/179353336.db2.gz LAKNNHQLJURXJV-GJZGRUSLSA-N 1 3 254.418 2.408 10 0 CEAEHO CC(C)[N@H+]1CCC[C@H](NC[C@@H]2CCCCO2)CC1 ZINC000086843149 179353338 /nfs/dbraw/zinc/35/33/38/179353338.db2.gz LAKNNHQLJURXJV-GJZGRUSLSA-N 1 3 254.418 2.408 10 0 CEAEHO CC(C)N1CCC[C@H]([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000086843149 179353339 /nfs/dbraw/zinc/35/33/39/179353339.db2.gz LAKNNHQLJURXJV-GJZGRUSLSA-N 1 3 254.418 2.408 10 0 CEAEHO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cnn(C)c2C)CC1 ZINC000086840648 179353525 /nfs/dbraw/zinc/35/35/25/179353525.db2.gz GSFGVPVUUNVOOJ-GXTWGEPZSA-N 1 3 264.417 2.254 10 0 CEAEHO CC(C)N(C)CCN[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086844334 179354432 /nfs/dbraw/zinc/35/44/32/179354432.db2.gz FKAPFSDGYJEJNT-HNNXBMFYSA-N 1 3 255.450 2.179 10 0 CEAEHO CC(C)N(C)CCN[C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086844334 179354433 /nfs/dbraw/zinc/35/44/33/179354433.db2.gz FKAPFSDGYJEJNT-HNNXBMFYSA-N 1 3 255.450 2.179 10 0 CEAEHO CC(C)N1CCC[C@@H]([NH2+]CC2CCOCC2)CC1 ZINC000086845055 179354558 /nfs/dbraw/zinc/35/45/58/179354558.db2.gz WCDHYLKIGRVDGJ-OAHLLOKOSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[N@H+](C(C)C)[C@@]1(CN)CCCN(C(C)C)CC1 ZINC000086846705 179355347 /nfs/dbraw/zinc/35/53/47/179355347.db2.gz WRFQBZLZIQNIGL-HNNXBMFYSA-N 1 3 255.450 2.309 10 0 CEAEHO CC[N@@H+](C(C)C)[C@@]1(CN)CCCN(C(C)C)CC1 ZINC000086846705 179355349 /nfs/dbraw/zinc/35/53/49/179355349.db2.gz WRFQBZLZIQNIGL-HNNXBMFYSA-N 1 3 255.450 2.309 10 0 CEAEHO CCN(Cc1ccccc1)[C@]1(C[NH3+])CCCOCC1 ZINC000086874889 179364799 /nfs/dbraw/zinc/36/47/99/179364799.db2.gz KZTYETKHVSWCJS-MRXNPFEDSA-N 1 3 262.397 2.407 10 0 CEAEHO CC(C)N1CCC[C@@]([NH2+]C2CCCCC2)(C(N)=O)CC1 ZINC000086849630 179358279 /nfs/dbraw/zinc/35/82/79/179358279.db2.gz PHQZYBXMAHTVEZ-INIZCTEOSA-N 1 3 281.444 2.027 10 0 CEAEHO CN(C)Cc1cccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089452250 539717352 /nfs/dbraw/zinc/71/73/52/539717352.db2.gz JHHWGKCJUFZYMQ-ZFWWWQNUSA-N 1 3 275.396 2.062 10 0 CEAEHO CC(C)N(Cc1ccccc1)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606319 180011542 /nfs/dbraw/zinc/01/15/42/180011542.db2.gz NKRYCWAGBOULFQ-HOTGVXAUSA-N 1 3 262.397 2.261 10 0 CEAEHO [NH3+]CC[C@H]1CCCCN1C[C@@H]1Cc2ccccc2O1 ZINC000090876269 180050623 /nfs/dbraw/zinc/05/06/23/180050623.db2.gz JWYBJLQFDQEEEL-CABCVRRESA-N 1 3 260.381 2.193 10 0 CEAEHO C(C[N@@H+]1CCC[C@@H]2CCCC[C@H]21)[C@@H]1CNCCO1 ZINC000091313706 180133190 /nfs/dbraw/zinc/13/31/90/180133190.db2.gz UVOLOQKWPMZGDW-RRFJBIMHSA-N 1 3 252.402 2.020 10 0 CEAEHO C(C[N@H+]1CCC[C@@H]2CCCC[C@H]21)[C@@H]1CNCCO1 ZINC000091313706 180133192 /nfs/dbraw/zinc/13/31/92/180133192.db2.gz UVOLOQKWPMZGDW-RRFJBIMHSA-N 1 3 252.402 2.020 10 0 CEAEHO CC(C)CNCc1cncc(OCC[C@H]2CCC[N@@H+]2C)n1 ZINC000091434620 180154623 /nfs/dbraw/zinc/15/46/23/180154623.db2.gz UJGQJGBPZFRVKR-OAHLLOKOSA-N 1 3 292.427 2.085 10 0 CEAEHO CC(C)CNCc1cncc(OCC[C@H]2CCC[N@H+]2C)n1 ZINC000091434620 180154624 /nfs/dbraw/zinc/15/46/24/180154624.db2.gz UJGQJGBPZFRVKR-OAHLLOKOSA-N 1 3 292.427 2.085 10 0 CEAEHO CC[C@@](C)(C[NH2+]CC(C)C)CN(C)CC1CC(O)C1 ZINC000091491162 180170252 /nfs/dbraw/zinc/17/02/52/180170252.db2.gz XEUIGJCXSBSOQP-GPANFISMSA-N 1 3 270.461 2.351 10 0 CEAEHO CC[NH2+][C@@H](C)C(C)(C)CN1CCN([C@H](C)CC)CC1 ZINC000091404644 180147054 /nfs/dbraw/zinc/14/70/54/180147054.db2.gz AZFIQVPYAYNIMT-CABCVRRESA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@](C)([C@H]([NH3+])CC1CCOCC1)N1CCCC1 ZINC000091604757 180203949 /nfs/dbraw/zinc/20/39/49/180203949.db2.gz VDBWPLGMQUXVLM-HUUCEWRRSA-N 1 3 254.418 2.395 10 0 CEAEHO CCC(CC)([C@H](N)Cc1cnccc1N)[NH+]1CCCC1 ZINC000091634758 180211004 /nfs/dbraw/zinc/21/10/04/180211004.db2.gz JGPRPMJRPNZZFH-OAHLLOKOSA-N 1 3 276.428 2.188 10 0 CEAEHO CCC[NH2+][C@@H](Cc1cnccc1N)C1(N(C)C)CCCC1 ZINC000091638301 180212274 /nfs/dbraw/zinc/21/22/74/180212274.db2.gz JTSCWUKCDVIQCO-INIZCTEOSA-N 1 3 290.455 2.449 10 0 CEAEHO CCN[C@H](CC[NH+](CC)CC)Cc1cc(CC)nn1C ZINC000091716560 180232233 /nfs/dbraw/zinc/23/22/33/180232233.db2.gz HQWOWPOYBXUZFP-OAHLLOKOSA-N 1 3 280.460 2.235 10 0 CEAEHO CC[NH2+][C@H](CCN(CC)CC)Cc1cc(CC)nn1C ZINC000091716560 180232236 /nfs/dbraw/zinc/23/22/36/180232236.db2.gz HQWOWPOYBXUZFP-OAHLLOKOSA-N 1 3 280.460 2.235 10 0 CEAEHO CCN(CC(=O)N(C)C1=CCCC1)C1CCC([NH3+])CC1 ZINC000091851062 180272403 /nfs/dbraw/zinc/27/24/03/180272403.db2.gz PIHYBSKVPCPCCD-UHFFFAOYSA-N 1 3 279.428 2.104 10 0 CEAEHO CCN(Cc1ccoc1C(=O)OC)C1CCC([NH3+])CC1 ZINC000091851073 180271983 /nfs/dbraw/zinc/27/19/83/180271983.db2.gz KKQOUFRMPAJTIZ-UHFFFAOYSA-N 1 3 280.368 2.158 10 0 CEAEHO CC[NH2+]C1CCC(N(C)[C@@H](C)C(=O)N[C@@H](C)CC)CC1 ZINC000091870457 180277406 /nfs/dbraw/zinc/27/74/06/180277406.db2.gz CMSBQVZKSIZBAK-HESLUPGFSA-N 1 3 283.460 2.142 10 0 CEAEHO CCC[C@@H](CC[NH3+])CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000092004227 180304981 /nfs/dbraw/zinc/30/49/81/180304981.db2.gz REOVFBRFVZCDFN-OAGGEKHMSA-N 1 3 295.471 2.227 10 0 CEAEHO CCc1nn(CCN(C)C)c(CC)c1CC[NH2+]C(C)C ZINC000092322975 180362322 /nfs/dbraw/zinc/36/23/22/180362322.db2.gz PUJCVZBIWUWYGF-UHFFFAOYSA-N 1 3 280.460 2.110 10 0 CEAEHO Cc1cccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000092431279 180384267 /nfs/dbraw/zinc/38/42/67/180384267.db2.gz IDHHAOLELIWDSO-INIZCTEOSA-N 1 3 259.397 2.354 10 0 CEAEHO CC[C@@H](C)N1CCN(Cc2cc(NC)cc[nH+]2)CC1 ZINC000092419009 180382307 /nfs/dbraw/zinc/38/23/07/180382307.db2.gz XWRXUVWTWJZYTJ-CYBMUJFWSA-N 1 3 262.401 2.039 10 0 CEAEHO CC[NH2+][C@H](C)[C@@H](CC)c1nc(CCN(CC)CC)no1 ZINC000109496131 186256326 /nfs/dbraw/zinc/25/63/26/186256326.db2.gz FMXPELBKZOQTGF-CHWSQXEVSA-N 1 3 282.432 2.446 10 0 CEAEHO CCOC(=O)CC[N@H+](C)[C@@H]1C[C@@H](CC)CC[C@@H]1CN ZINC000109685342 186268899 /nfs/dbraw/zinc/26/88/99/186268899.db2.gz RAIMAFIEEAENON-BFHYXJOUSA-N 1 3 270.417 2.025 10 0 CEAEHO CCOC(=O)CC[N@@H+](C)[C@@H]1C[C@@H](CC)CC[C@@H]1CN ZINC000109685342 186268901 /nfs/dbraw/zinc/26/89/01/186268901.db2.gz RAIMAFIEEAENON-BFHYXJOUSA-N 1 3 270.417 2.025 10 0 CEAEHO CCOC(=O)CCN(C)[C@@H]1C[C@@H](CC)CC[C@@H]1C[NH3+] ZINC000109685342 186268903 /nfs/dbraw/zinc/26/89/03/186268903.db2.gz RAIMAFIEEAENON-BFHYXJOUSA-N 1 3 270.417 2.025 10 0 CEAEHO CN(C[C@H]1CC[N@H+](C)C1)c1nc2ccccc2cc1CN ZINC000109359491 186249342 /nfs/dbraw/zinc/24/93/42/186249342.db2.gz GTNCWXIPABDQPL-ZDUSSCGKSA-N 1 3 284.407 2.081 10 0 CEAEHO CN(C[C@H]1CC[N@@H+](C)C1)c1nc2ccccc2cc1CN ZINC000109359491 186249343 /nfs/dbraw/zinc/24/93/43/186249343.db2.gz GTNCWXIPABDQPL-ZDUSSCGKSA-N 1 3 284.407 2.081 10 0 CEAEHO CCCCCCN1CCN([C@H](C[NH3+])CCC)CC1 ZINC000110444267 186296713 /nfs/dbraw/zinc/29/67/13/186296713.db2.gz DSCSUSLEZNDDGO-HNNXBMFYSA-N 1 3 255.450 2.312 10 0 CEAEHO CN(C1CCN(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000110926703 186333334 /nfs/dbraw/zinc/33/33/34/186333334.db2.gz NRCPGWDGZRRGSE-GOSISDBHSA-N 1 3 287.451 2.335 10 0 CEAEHO CC[C@H]1CN([C@@H](C[NH3+])c2cc(C)cc(C)c2)CCN1C ZINC000110709885 186315405 /nfs/dbraw/zinc/31/54/05/186315405.db2.gz VITSFRDRRVYOHZ-IRXDYDNUSA-N 1 3 275.440 2.329 10 0 CEAEHO CC[NH2+][C@H]1c2ccccc2C[C@H]1N1CCN(C)C(C)(C)C1 ZINC000110716620 186315951 /nfs/dbraw/zinc/31/59/51/186315951.db2.gz GIUHMODRFGMGJH-SJORKVTESA-N 1 3 287.451 2.288 10 0 CEAEHO CC[C@@H]([C@@H]([NH3+])c1ccccc1)N1CCN(C)C(C)(C)C1 ZINC000110716308 186316040 /nfs/dbraw/zinc/31/60/40/186316040.db2.gz KPPMPLTZOGSVQU-HOTGVXAUSA-N 1 3 275.440 2.491 10 0 CEAEHO Cc1cc([C@H](C[NH3+])N2CCN(C)C(C)(C)C2)c(C)s1 ZINC000110711426 186316355 /nfs/dbraw/zinc/31/63/55/186316355.db2.gz SUJWYNGZGAAXHF-AWEZNQCLSA-N 1 3 281.469 2.391 10 0 CEAEHO CCOc1ccc([C@H](C[NH3+])N2CCN(C)[C@@H](CC)C2)cc1 ZINC000110711300 186316542 /nfs/dbraw/zinc/31/65/42/186316542.db2.gz VTWWPEPPQVIBTB-RDJZCZTQSA-N 1 3 291.439 2.111 10 0 CEAEHO CC[NH2+]Cc1cc(CN2CCN(C)C(C)(C)C2)oc1C ZINC000110755013 186319679 /nfs/dbraw/zinc/31/96/79/186319679.db2.gz WBCUQAWFMAUQDL-UHFFFAOYSA-N 1 3 279.428 2.224 10 0 CEAEHO CCC[C@@](C)(C[NH2+]C)CN1CCN(C)C(C)(C)C1 ZINC000110747085 186321805 /nfs/dbraw/zinc/32/18/05/186321805.db2.gz FKEVJRBTIPFYLU-HNNXBMFYSA-N 1 3 255.450 2.038 10 0 CEAEHO CCC[NH2+]Cc1ccccc1CN(C)CCN(C)C ZINC000111149895 186360703 /nfs/dbraw/zinc/36/07/03/186360703.db2.gz YSTYJVPCBZTCSN-UHFFFAOYSA-N 1 3 263.429 2.180 10 0 CEAEHO C[NH2+][C@H]1c2ccccc2CCC[C@@H]1N(C)CCN(C)C ZINC000111134392 186357334 /nfs/dbraw/zinc/35/73/34/186357334.db2.gz XNVAZCHIEBXKDA-IRXDYDNUSA-N 1 3 275.440 2.145 10 0 CEAEHO Cc1cc(C)c([C@H](N)CN(C)CCC[NH+](C)C)c(C)c1 ZINC000111135861 186357627 /nfs/dbraw/zinc/35/76/27/186357627.db2.gz FRNIIYCEOJKXDL-MRXNPFEDSA-N 1 3 277.456 2.495 10 0 CEAEHO CCc1ccc([C@H]([NH3+])[C@@H](C)N(C)CCN(C)C)cc1 ZINC000111134373 186357742 /nfs/dbraw/zinc/35/77/42/186357742.db2.gz DZBYADCNJGHOFX-CZUORRHYSA-N 1 3 263.429 2.131 10 0 CEAEHO CC[NH2+][C@@H](CCN(C)CCN(C)C)c1cccc(F)c1 ZINC000111147476 186359319 /nfs/dbraw/zinc/35/93/19/186359319.db2.gz GTQWTHCALZZHTF-INIZCTEOSA-N 1 3 281.419 2.360 10 0 CEAEHO C[C@H]1C[C@@H](C(=O)N2CCCN(C(C)(C)C)CC2)CC[N@@H+]1C ZINC000336396492 213254600 /nfs/dbraw/zinc/25/46/00/213254600.db2.gz TUCUGTWYKNDDCV-GJZGRUSLSA-N 1 3 295.471 2.050 10 0 CEAEHO C[C@H]1C[C@@H](C(=O)N2CCCN(C(C)(C)C)CC2)CC[N@H+]1C ZINC000336396492 213254602 /nfs/dbraw/zinc/25/46/02/213254602.db2.gz TUCUGTWYKNDDCV-GJZGRUSLSA-N 1 3 295.471 2.050 10 0 CEAEHO Cc1[nH]c2ccccc2c1CCN1CCC([NH3+])CC1 ZINC000031576351 361714616 /nfs/dbraw/zinc/71/46/16/361714616.db2.gz YSQNFSCMLLGMGZ-UHFFFAOYSA-N 1 3 257.381 2.442 10 0 CEAEHO C[C@@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)CN1CCCC1 ZINC000085638266 363836229 /nfs/dbraw/zinc/83/62/29/363836229.db2.gz NEELHVFIBRPXRD-AJNGGQMLSA-N 1 3 266.429 2.121 10 0 CEAEHO CCN(CC)[C@@H](CN[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000094074106 364250854 /nfs/dbraw/zinc/25/08/54/364250854.db2.gz WNUPTKPQWWHFRK-CVEARBPZSA-N 1 3 261.413 2.021 10 0 CEAEHO CCC[C@H](C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)N(C)C ZINC000161600652 367099741 /nfs/dbraw/zinc/09/97/41/367099741.db2.gz JHCMKJJQQXVSPY-HRCADAONSA-N 1 3 297.487 2.201 10 0 CEAEHO C[C@@H]1CN(CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000631838519 367579021 /nfs/dbraw/zinc/57/90/21/367579021.db2.gz PTIOMTIZLHDJPX-NEPJUHHUSA-N 1 3 295.814 2.195 10 0 CEAEHO C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1CN ZINC000631838519 367579025 /nfs/dbraw/zinc/57/90/25/367579025.db2.gz PTIOMTIZLHDJPX-NEPJUHHUSA-N 1 3 295.814 2.195 10 0 CEAEHO C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1CN ZINC000631838519 367579030 /nfs/dbraw/zinc/57/90/30/367579030.db2.gz PTIOMTIZLHDJPX-NEPJUHHUSA-N 1 3 295.814 2.195 10 0 CEAEHO C[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@@H]1CN ZINC000631838443 367579257 /nfs/dbraw/zinc/57/92/57/367579257.db2.gz OGVOTMLYELTKAJ-HIFRSBDPSA-N 1 3 254.418 2.110 10 0 CEAEHO C[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@@H]1CN ZINC000631838443 367579260 /nfs/dbraw/zinc/57/92/60/367579260.db2.gz OGVOTMLYELTKAJ-HIFRSBDPSA-N 1 3 254.418 2.110 10 0 CEAEHO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000343585567 367900296 /nfs/dbraw/zinc/90/02/96/367900296.db2.gz BVOQBXMWBOMXRS-YIDVYQOGSA-N 1 3 266.429 2.406 10 0 CEAEHO CC(C)CN1CCC[C@@H]1C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000181655694 368479496 /nfs/dbraw/zinc/47/94/96/368479496.db2.gz ZRAXFRVIMSXOKE-ARFHVFGLSA-N 1 3 267.461 2.179 10 0 CEAEHO COC[C@@H](CCC[NH3+])N[C@H](C)c1ccc(F)c(F)c1 ZINC000234750495 370541345 /nfs/dbraw/zinc/54/13/45/370541345.db2.gz BQJISDNNIPVCLM-ZYHUDNBSSA-N 1 3 272.339 2.369 10 0 CEAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cccc4cccnc43)C[C@@H]12 ZINC000261721542 371710414 /nfs/dbraw/zinc/71/04/14/371710414.db2.gz KFYMQUMKPGFUSL-NUEKZKHPSA-N 1 3 267.376 2.404 10 0 CEAEHO NC[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1c1ccccc1 ZINC000261757472 371721790 /nfs/dbraw/zinc/72/17/90/371721790.db2.gz QTUHHPMSKJEPOE-OIISXLGYSA-N 1 3 274.408 2.087 10 0 CEAEHO NC[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1c1ccccc1 ZINC000261757472 371721798 /nfs/dbraw/zinc/72/17/98/371721798.db2.gz QTUHHPMSKJEPOE-OIISXLGYSA-N 1 3 274.408 2.087 10 0 CEAEHO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCNC1 ZINC000261793867 371733914 /nfs/dbraw/zinc/73/39/14/371733914.db2.gz OSEUCLYXSCCCQX-WZYMTQMTSA-N 1 3 288.439 2.130 10 0 CEAEHO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCNC1 ZINC000261793867 371733921 /nfs/dbraw/zinc/73/39/21/371733921.db2.gz OSEUCLYXSCCCQX-WZYMTQMTSA-N 1 3 288.439 2.130 10 0 CEAEHO Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCC[NH2+]C1 ZINC000261793867 371733924 /nfs/dbraw/zinc/73/39/24/371733924.db2.gz OSEUCLYXSCCCQX-WZYMTQMTSA-N 1 3 288.439 2.130 10 0 CEAEHO CCC1(N(C)C)CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000640015878 371736755 /nfs/dbraw/zinc/73/67/55/371736755.db2.gz OKWQLEGVYHQVOW-LSDHHAIUSA-N 1 3 268.445 2.344 10 0 CEAEHO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2C[C@@H]2CCCNC2)C1 ZINC000261947698 371781076 /nfs/dbraw/zinc/78/10/76/371781076.db2.gz NMNJBSYIEAIIOX-NRKLIOEPSA-N 1 3 280.456 2.248 10 0 CEAEHO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2C[C@@H]2CCCNC2)C1 ZINC000261947698 371781079 /nfs/dbraw/zinc/78/10/79/371781079.db2.gz NMNJBSYIEAIIOX-NRKLIOEPSA-N 1 3 280.456 2.248 10 0 CEAEHO CN(Cc1ccccc1)[C@H](CNC1CC[NH2+]CC1)C1CC1 ZINC000423066131 376957029 /nfs/dbraw/zinc/95/70/29/376957029.db2.gz WBQBSRHRYPUIFB-GOSISDBHSA-N 1 3 287.451 2.239 10 0 CEAEHO CC(C)[NH2+][C@@]1(CO)CCC[C@H](N2CCCCC2)C1 ZINC000093781438 184720668 /nfs/dbraw/zinc/72/06/68/184720668.db2.gz BXNUXNXHXVMPJD-GJZGRUSLSA-N 1 3 254.418 2.144 10 0 CEAEHO CC(C)N[C@@]1(CO)CCC[C@H]([NH+]2CCCCC2)C1 ZINC000093781438 184720669 /nfs/dbraw/zinc/72/06/69/184720669.db2.gz BXNUXNXHXVMPJD-GJZGRUSLSA-N 1 3 254.418 2.144 10 0 CEAEHO COCC1CC[NH+](C[C@@H]2CCCC(C)(C)[C@@H]2N)CC1 ZINC000094288692 184775741 /nfs/dbraw/zinc/77/57/41/184775741.db2.gz SZWKKZVOVIBRFC-LSDHHAIUSA-N 1 3 268.445 2.498 10 0 CEAEHO CNC[C@H]1CCC[N@@H+]([C@@H]2CCOC3(CCCC3)C2)C1 ZINC000094383802 184792471 /nfs/dbraw/zinc/79/24/71/184792471.db2.gz PUQOUUFBPKDDHE-HUUCEWRRSA-N 1 3 266.429 2.410 10 0 CEAEHO CNC[C@H]1CCC[N@H+]([C@@H]2CCOC3(CCCC3)C2)C1 ZINC000094383802 184792472 /nfs/dbraw/zinc/79/24/72/184792472.db2.gz PUQOUUFBPKDDHE-HUUCEWRRSA-N 1 3 266.429 2.410 10 0 CEAEHO CN[C@@H]1c2ccccc2OC[C@H]1SCC[NH+](C)C ZINC000095021905 184917691 /nfs/dbraw/zinc/91/76/91/184917691.db2.gz XNNGRSSQGMQHCY-ZIAGYGMSSA-N 1 3 266.410 2.003 10 0 CEAEHO C[C@@H](Nc1cccc(OCCN(C)C)c1)[C@H]1CC[NH2+]C1 ZINC000400718508 533560664 /nfs/dbraw/zinc/56/06/64/533560664.db2.gz NWABMOPULYJADO-KGLIPLIRSA-N 1 3 277.412 2.037 10 0 CEAEHO C[C@H](C[C@@H]1CCC[NH2+]1)NC1CCN(c2ccccn2)CC1 ZINC000093463210 135080841 /nfs/dbraw/zinc/08/08/41/135080841.db2.gz IBJAQKHMIZMEPH-ZBFHGGJFSA-N 1 3 288.439 2.171 10 0 CEAEHO C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C1CNC1 ZINC000422816272 394807826 /nfs/dbraw/zinc/80/78/26/394807826.db2.gz DWUYUBZBMYJNRZ-INTQDDNPSA-N 1 3 250.308 2.305 10 0 CEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1N[C@H]1CCC[NH2+][C@@H]1C ZINC000396621720 395218106 /nfs/dbraw/zinc/21/81/06/395218106.db2.gz VCXRSPMVTRCEPQ-LMSBXDPUSA-N 1 3 287.451 2.237 10 0 CEAEHO C[C@H]([NH2+]CCc1cccc(F)c1)[C@H]1CCCNC1 ZINC000575372940 395661232 /nfs/dbraw/zinc/66/12/32/395661232.db2.gz JSZSJVZGSFKTNQ-JSGCOSHPSA-N 1 3 250.361 2.346 10 0 CEAEHO C[C@H](NCCc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000575372940 395661234 /nfs/dbraw/zinc/66/12/34/395661234.db2.gz JSZSJVZGSFKTNQ-JSGCOSHPSA-N 1 3 250.361 2.346 10 0 CEAEHO CCCCCC[C@@H](C[NH3+])N1CCN(CCC)CC1 ZINC000020520613 171234204 /nfs/dbraw/zinc/23/42/04/171234204.db2.gz INHITHLQUYIWGD-HNNXBMFYSA-N 1 3 255.450 2.312 10 0 CEAEHO CCCN(CCC)CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000022151760 171358974 /nfs/dbraw/zinc/35/89/74/171358974.db2.gz OAYYMDNNBCUHQD-UHFFFAOYSA-N 1 3 263.385 2.206 10 0 CEAEHO CCOc1ccccc1[C@@H](C[NH3+])N(C)C1CCN(C)CC1 ZINC000022213084 171374454 /nfs/dbraw/zinc/37/44/54/171374454.db2.gz GTFKNARQJXQJER-MRXNPFEDSA-N 1 3 291.439 2.111 10 0 CEAEHO CCN1CCC(CN)([N@H+](C)C2CCCCC2)CC1 ZINC000035176691 172029745 /nfs/dbraw/zinc/02/97/45/172029745.db2.gz KWEFQDBDZGVJNC-UHFFFAOYSA-N 1 3 253.434 2.064 10 0 CEAEHO CCN1CCC(CN)([N@@H+](C)C2CCCCC2)CC1 ZINC000035176691 172029747 /nfs/dbraw/zinc/02/97/47/172029747.db2.gz KWEFQDBDZGVJNC-UHFFFAOYSA-N 1 3 253.434 2.064 10 0 CEAEHO CCCCCC[C@@](C)(CN)[NH+](CCOC)CCOC ZINC000037489490 173231716 /nfs/dbraw/zinc/23/17/16/173231716.db2.gz FLLLNBQVNCIPSV-HNNXBMFYSA-N 1 3 274.449 2.269 10 0 CEAEHO C[C@@H]1CCCC[N@@H+]1CCCNCCc1ccccn1 ZINC000037491934 173233106 /nfs/dbraw/zinc/23/31/06/173233106.db2.gz TYGSOUYEPZSKSX-OAHLLOKOSA-N 1 3 261.413 2.478 10 0 CEAEHO C[C@@H]1CCCC[N@H+]1CCCNCCc1ccccn1 ZINC000037491934 173233108 /nfs/dbraw/zinc/23/31/08/173233108.db2.gz TYGSOUYEPZSKSX-OAHLLOKOSA-N 1 3 261.413 2.478 10 0 CEAEHO C[C@@H]1CCCCN1CCC[NH2+]CCc1ccccn1 ZINC000037491934 173233109 /nfs/dbraw/zinc/23/31/09/173233109.db2.gz TYGSOUYEPZSKSX-OAHLLOKOSA-N 1 3 261.413 2.478 10 0 CEAEHO NC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCc2ccccc2C1 ZINC000040749431 174393745 /nfs/dbraw/zinc/39/37/45/174393745.db2.gz KXWSITSVVMEZHL-IFFAKLHKSA-N 1 3 256.393 2.498 10 0 CEAEHO NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCc2ccccc2C1 ZINC000040749431 174393746 /nfs/dbraw/zinc/39/37/46/174393746.db2.gz KXWSITSVVMEZHL-IFFAKLHKSA-N 1 3 256.393 2.498 10 0 CEAEHO Cc1ccccc1[C@H](C)[NH2+]C[C@H](O)CN(C)C(C)C ZINC000311758310 414860936 /nfs/dbraw/zinc/86/09/36/414860936.db2.gz VZFIBEUSZZFMLB-GJZGRUSLSA-N 1 3 264.413 2.347 10 0 CEAEHO CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(CCN(C)C)CC(C)C ZINC000043341171 175015273 /nfs/dbraw/zinc/01/52/73/175015273.db2.gz CUBRQQIRYIOYPJ-WBVHZDCISA-N 1 3 292.471 2.380 10 0 CEAEHO CC[C@@H]([NH3+])[C@@H](c1cccnc1)N(CCN(C)C)CC(C)C ZINC000043348615 175018905 /nfs/dbraw/zinc/01/89/05/175018905.db2.gz JKIAMMUQVODGAQ-IAGOWNOFSA-N 1 3 292.471 2.380 10 0 CEAEHO CCC[NH2+][C@H](CN(C)C1CCN(C)CC1)C(C)(C)C ZINC000043815409 175112465 /nfs/dbraw/zinc/11/24/65/175112465.db2.gz VVVFOXRPLLJDDG-OAHLLOKOSA-N 1 3 269.477 2.427 10 0 CEAEHO C[NH2+][C@@H](CN1CCCN(C)CC1)c1ccc(C)cc1C ZINC000043818151 175113452 /nfs/dbraw/zinc/11/34/52/175113452.db2.gz JSSJPJRATWLNSL-KRWDZBQOSA-N 1 3 275.440 2.201 10 0 CEAEHO C[NH2+][C@H]1CCCCCC[C@@H]1N1CCN(C(C)C)CC1 ZINC000043896906 175119882 /nfs/dbraw/zinc/11/98/82/175119882.db2.gz WGXHTUBNZKYTRK-HOTGVXAUSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[NH2+][C@@H](CN1CCN(C(C)C)CC1)c1ccccc1 ZINC000043897041 175120089 /nfs/dbraw/zinc/12/00/89/175120089.db2.gz GZDZEJFDFZBRLB-KRWDZBQOSA-N 1 3 275.440 2.363 10 0 CEAEHO CCC[NH2+][C@@H]1CCCC[C@H]1N1CCN(CC2CC2)CC1 ZINC000043968018 175128882 /nfs/dbraw/zinc/12/88/82/175128882.db2.gz XSOFNQGZLBOTCR-IAGOWNOFSA-N 1 3 279.472 2.325 10 0 CEAEHO CCC[NH2+][C@@H]1CCCC[C@@H]1N1CCN(CC2CC2)CC1 ZINC000043968015 175129362 /nfs/dbraw/zinc/12/93/62/175129362.db2.gz XSOFNQGZLBOTCR-SJORKVTESA-N 1 3 279.472 2.325 10 0 CEAEHO C[NH2+][C@H](C)c1ccc(NC(=O)NC[C@H](C)N(C)C)cc1 ZINC000045113965 175310952 /nfs/dbraw/zinc/31/09/52/175310952.db2.gz ZCNZUEPZAZFVEP-NWDGAFQWSA-N 1 3 278.400 2.039 10 0 CEAEHO C[N@H+](CCC[C@](C)(NC1CC1)C(N)=O)C1CCCCC1 ZINC000045379177 175368513 /nfs/dbraw/zinc/36/85/13/175368513.db2.gz IJQYQTMOLLSXDM-INIZCTEOSA-N 1 3 281.444 2.027 10 0 CEAEHO C[N@@H+](CCC[C@](C)(NC1CC1)C(N)=O)C1CCCCC1 ZINC000045379177 175368515 /nfs/dbraw/zinc/36/85/15/175368515.db2.gz IJQYQTMOLLSXDM-INIZCTEOSA-N 1 3 281.444 2.027 10 0 CEAEHO CC[C@H]1CCCC[C@]1(CN)[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071162242 176046334 /nfs/dbraw/zinc/04/63/34/176046334.db2.gz RTFZFIGXCBZJJC-OWCLPIDISA-N 1 3 267.461 2.168 10 0 CEAEHO CC[C@H]1CCCC[C@]1(CN)[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071162242 176046335 /nfs/dbraw/zinc/04/63/35/176046335.db2.gz RTFZFIGXCBZJJC-OWCLPIDISA-N 1 3 267.461 2.168 10 0 CEAEHO CC[C@@H](N)[C@@H]([N@H+](C)C[C@@H]1CCN(C)C1)C(C)(C)C ZINC000071187977 176062049 /nfs/dbraw/zinc/06/20/49/176062049.db2.gz AQSSEPRIXDAHRB-MGPQQGTHSA-N 1 3 255.450 2.022 10 0 CEAEHO CC[C@@H](N)[C@@H]([N@@H+](C)C[C@@H]1CCN(C)C1)C(C)(C)C ZINC000071187977 176062050 /nfs/dbraw/zinc/06/20/50/176062050.db2.gz AQSSEPRIXDAHRB-MGPQQGTHSA-N 1 3 255.450 2.022 10 0 CEAEHO CN(C[C@H]1CC[N@H+](C)C1)[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000071190661 176067663 /nfs/dbraw/zinc/06/76/63/176067663.db2.gz YIUMTOGMBGPMHH-QGTPRVQTSA-N 1 3 288.435 2.308 10 0 CEAEHO CN(C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000071190661 176067665 /nfs/dbraw/zinc/06/76/65/176067665.db2.gz YIUMTOGMBGPMHH-QGTPRVQTSA-N 1 3 288.435 2.308 10 0 CEAEHO CN[C@H](c1ccccc1)[C@H](C)C[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071191417 176069371 /nfs/dbraw/zinc/06/93/71/176069371.db2.gz LDCQJEACHZGACX-NUJGCVRESA-N 1 3 289.467 2.467 10 0 CEAEHO CN[C@H](c1ccccc1)[C@H](C)C[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071191417 176069373 /nfs/dbraw/zinc/06/93/73/176069373.db2.gz LDCQJEACHZGACX-NUJGCVRESA-N 1 3 289.467 2.467 10 0 CEAEHO N=C1c2cc(F)ccc2CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000071269056 176102768 /nfs/dbraw/zinc/10/27/68/176102768.db2.gz USVHJYDSJBBNMA-CYBMUJFWSA-N 1 3 259.328 2.203 10 0 CEAEHO N=C1c2cc(F)ccc2CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000071269056 176102770 /nfs/dbraw/zinc/10/27/70/176102770.db2.gz USVHJYDSJBBNMA-CYBMUJFWSA-N 1 3 259.328 2.203 10 0 CEAEHO [NH3+][C@@H]1CCC[C@H](N2CCN(Cc3ccccc3)CC2)C1 ZINC000071613653 176233352 /nfs/dbraw/zinc/23/33/52/176233352.db2.gz OLPLSJBZHSPNJI-SJORKVTESA-N 1 3 273.424 2.074 10 0 CEAEHO CC[C@H](CC[NH3+])CCC(=O)N[C@H](C)CN1CCCCC1 ZINC000079208352 177446649 /nfs/dbraw/zinc/44/66/49/177446649.db2.gz JFVTYCSBXWJPKU-CABCVRRESA-N 1 3 283.460 2.132 10 0 CEAEHO C[NH2+][C@@H]1CCC(C)(C)C[C@H]1N1CCN(CC2CC2)CC1 ZINC000079623680 177528232 /nfs/dbraw/zinc/52/82/32/177528232.db2.gz BVEAYMKMCVYXLB-HZPDHXFCSA-N 1 3 279.472 2.181 10 0 CEAEHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccnc2ccccc12 ZINC000666743894 419412956 /nfs/dbraw/zinc/41/29/56/419412956.db2.gz LRQQTASULZFOGG-DOMZBBRYSA-N 1 3 255.365 2.452 10 0 CEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](N)CC1CCCCC1 ZINC000261813004 279299267 /nfs/dbraw/zinc/29/92/67/279299267.db2.gz ZWPBYVSNTKWFAS-CVEARBPZSA-N 1 3 295.471 2.227 10 0 CEAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](N)CC1CCCCC1 ZINC000261813004 279299269 /nfs/dbraw/zinc/29/92/69/279299269.db2.gz ZWPBYVSNTKWFAS-CVEARBPZSA-N 1 3 295.471 2.227 10 0 CEAEHO C[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])c1ccc2c(c1)OCCO2 ZINC000089149022 290009982 /nfs/dbraw/zinc/00/99/82/290009982.db2.gz HTWGSHWRVNZUMN-IACUBPJLSA-N 1 3 276.380 2.236 10 0 CEAEHO C[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000567343981 299054602 /nfs/dbraw/zinc/05/46/02/299054602.db2.gz MPPIYNGPLNFLSP-IJLUTSLNSA-N 1 3 253.415 2.224 10 0 CEAEHO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)[C@@H]1CCCNC1 ZINC000576268519 314257879 /nfs/dbraw/zinc/25/78/79/314257879.db2.gz CKDOCIHRWFGVOE-ZVDSWSACSA-N 1 3 278.440 2.312 10 0 CEAEHO CCC[NH2+]CC1(CN(C)CC(C)C)CCOCC1 ZINC000052181362 519909440 /nfs/dbraw/zinc/90/94/40/519909440.db2.gz REFUKZCAEVNSSR-UHFFFAOYSA-N 1 3 256.434 2.371 10 0 CEAEHO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C1CCN(C)CC1 ZINC000054601976 519910141 /nfs/dbraw/zinc/91/01/41/519910141.db2.gz MHEDIWXKQPHLMO-VHRNVKJDSA-N 1 3 265.445 2.076 10 0 CEAEHO CC[NH2+]CC1(CN2CCC(C)CC2)CCOCC1 ZINC000052180628 519913100 /nfs/dbraw/zinc/91/31/00/519913100.db2.gz VELYPQAPWUMAOO-UHFFFAOYSA-N 1 3 254.418 2.125 10 0 CEAEHO CCC[NH2+]C[C@@H](C)CN1CCN([C@@H](C)CC)CC1 ZINC000055074697 519920611 /nfs/dbraw/zinc/92/06/11/519920611.db2.gz KYFYZGTWASWYBQ-CABCVRRESA-N 1 3 255.450 2.038 10 0 CEAEHO CC[NH2+]C[C@@H](C(C)C)N1CCN([C@@H](C)CC)CC1 ZINC000055074816 519931514 /nfs/dbraw/zinc/93/15/14/519931514.db2.gz ORGUSVYNTSNMCA-GJZGRUSLSA-N 1 3 255.450 2.037 10 0 CEAEHO CCC[NH2+]Cc1cccc(OCCN(C)CCOC)c1 ZINC000052572852 519953503 /nfs/dbraw/zinc/95/35/03/519953503.db2.gz PWJONKLMUKTSIN-UHFFFAOYSA-N 1 3 280.412 2.143 10 0 CEAEHO CCC[NH2+]Cc1sc(N(C)[C@@H]2CCCN(C)C2)nc1C ZINC000054998285 519975192 /nfs/dbraw/zinc/97/51/92/519975192.db2.gz ONVPLPZNSQWLFJ-CYBMUJFWSA-N 1 3 296.484 2.482 10 0 CEAEHO CCCC[C@@H](C[NH3+])N1CCN(C2CCCC2)CC1 ZINC000052060667 521044951 /nfs/dbraw/zinc/04/49/51/521044951.db2.gz SRARNTVZZAMWEW-HNNXBMFYSA-N 1 3 253.434 2.064 10 0 CEAEHO CCN(CCOC)Cc1ccccc1C[NH2+]C1CC1 ZINC000052542804 521135265 /nfs/dbraw/zinc/13/52/65/521135265.db2.gz CELKDLABCDMMCS-UHFFFAOYSA-N 1 3 262.397 2.407 10 0 CEAEHO CN[C@H](C)c1cnc(N2CCC(C[NH+](C)C)CC2)s1 ZINC000054907424 522454614 /nfs/dbraw/zinc/45/46/14/522454614.db2.gz RATBCIKRQDAJST-LLVKDONJSA-N 1 3 282.457 2.202 10 0 CEAEHO CC(C)CN1CCN([C@H](C)[C@H](C)C[NH2+]C2CC2)CC1 ZINC000093070177 517420413 /nfs/dbraw/zinc/42/04/13/517420413.db2.gz RUEKBKSYOYDEHS-HUUCEWRRSA-N 1 3 267.461 2.037 10 0 CEAEHO CC(C)CC[C@](C)(C[NH3+])N1CCN(CC(C)C)CC1 ZINC000055078311 519694815 /nfs/dbraw/zinc/69/48/15/519694815.db2.gz NDOLNYWAJMDUTO-MRXNPFEDSA-N 1 3 269.477 2.414 10 0 CEAEHO CC(C)CN1CCC([NH2+]CC2CCOCC2)CC1 ZINC000228028651 519720803 /nfs/dbraw/zinc/72/08/03/519720803.db2.gz DSZXIVNOXQHCPW-UHFFFAOYSA-N 1 3 254.418 2.123 10 0 CEAEHO CC(C)[NH2+]CCO[C@H]1CCN(Cc2ccccc2)C1 ZINC000061702273 519721932 /nfs/dbraw/zinc/72/19/32/519721932.db2.gz KJJZXQXUSJSVGC-INIZCTEOSA-N 1 3 262.397 2.276 10 0 CEAEHO CC(C)CN1CCN(c2ccc(Cl)cc2C(N)=[NH2+])CC1 ZINC000055079659 519728622 /nfs/dbraw/zinc/72/86/22/519728622.db2.gz FJMFHECGVWWGQW-UHFFFAOYSA-N 1 3 294.830 2.402 10 0 CEAEHO CC(C)C[NH2+]Cc1ccoc1COCCN(C)C ZINC000052669544 519748138 /nfs/dbraw/zinc/74/81/38/519748138.db2.gz SNQWUKGYAORTFM-UHFFFAOYSA-N 1 3 254.374 2.103 10 0 CEAEHO CCCN1CCN(CCCC[NH2+]CC(C)C)CC1 ZINC000052421725 519857287 /nfs/dbraw/zinc/85/72/87/519857287.db2.gz VWDUZFBNIPEOAY-UHFFFAOYSA-N 1 3 255.450 2.040 10 0 CEAEHO CCCC(C[NH3+])(CCC)C(=O)N1CCC[C@H]1CN(C)C ZINC000061644064 519885081 /nfs/dbraw/zinc/88/50/81/519885081.db2.gz RRTZHTGYPCPJMQ-AWEZNQCLSA-N 1 3 283.460 2.084 10 0 CEAEHO CCC[NH2+]CC(C)(C)CN(C)CCN1CCCC1 ZINC000063053581 519908737 /nfs/dbraw/zinc/90/87/37/519908737.db2.gz BKIBIUYMTSXLNY-UHFFFAOYSA-N 1 3 255.450 2.040 10 0 CEAEHO CCC[NH2+]CC1(CN2CCCSCC2)CCOCC1 ZINC000052197947 519909607 /nfs/dbraw/zinc/90/96/07/519909607.db2.gz ILCJWGWFFPAVPL-UHFFFAOYSA-N 1 3 286.485 2.222 10 0 CEAEHO CCC[NH2+]CC1(CN(CCO)C2CCCC2)CCOCC1 ZINC000052183179 519910249 /nfs/dbraw/zinc/91/02/49/519910249.db2.gz OYRRGDSJUZVRTL-UHFFFAOYSA-N 1 3 298.471 2.020 10 0 CEAEHO CC[NH2+]CC(C)(C)CN1CCN([C@H](C)CC)CC1 ZINC000055072116 519911903 /nfs/dbraw/zinc/91/19/03/519911903.db2.gz RSVBYKWYSKKPDW-CQSZACIVSA-N 1 3 255.450 2.038 10 0 CEAEHO CC[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000052417260 519918975 /nfs/dbraw/zinc/91/89/75/519918975.db2.gz IWWRAYGCUZLTGR-UHFFFAOYSA-N 1 3 261.413 2.198 10 0 CEAEHO CCC[NH2+]C[C@H](C)CN1CCN(C2CCCC2)CC1 ZINC000052573478 519932167 /nfs/dbraw/zinc/93/21/67/519932167.db2.gz VVXYKARUQWLNDP-HNNXBMFYSA-N 1 3 267.461 2.182 10 0 CEAEHO CCC[NH2+]C[C@H]1CC[C@@H](CN(C)CCc2ccncc2)O1 ZINC000052483151 519936258 /nfs/dbraw/zinc/93/62/58/519936258.db2.gz ZIMLLTGVLDHPGN-SJORKVTESA-N 1 3 291.439 2.103 10 0 CEAEHO CC[NH2+]C[C@@H]1CC[C@@H](CN(C)Cc2ccc(F)cc2)O1 ZINC000052346224 519951810 /nfs/dbraw/zinc/95/18/10/519951810.db2.gz QKCBNIMMOBVLSW-HOTGVXAUSA-N 1 3 280.387 2.415 10 0 CEAEHO CC[NH2+]C[C@](C)(CC)CN1CCN(CC(C)C)CC1 ZINC000055081738 519981501 /nfs/dbraw/zinc/98/15/01/519981501.db2.gz MDPZVLCNHNGQTO-INIZCTEOSA-N 1 3 269.477 2.286 10 0 CEAEHO CC[NH2+]Cc1ccccc1CN(C)[C@H](C)COC ZINC000052511945 520006979 /nfs/dbraw/zinc/00/69/79/520006979.db2.gz OHSMZZCDSYCNSJ-CYBMUJFWSA-N 1 3 250.386 2.263 10 0 CEAEHO CCNCc1ccoc1CN(C)C1CC[NH+](CC)CC1 ZINC000052543986 520010678 /nfs/dbraw/zinc/01/06/78/520010678.db2.gz AKOBKAWVZAGBBH-UHFFFAOYSA-N 1 3 279.428 2.305 10 0 CEAEHO CCN[C@@H](CC[N@@H+]1CC[C@H](O)C1)c1ccccc1C ZINC000061711877 520089163 /nfs/dbraw/zinc/08/91/63/520089163.db2.gz BQGAYBILRLYXRO-HOCLYGCPSA-N 1 3 262.397 2.102 10 0 CEAEHO CCN[C@@H](CC[N@H+]1CC[C@H](O)C1)c1ccccc1C ZINC000061711877 520089173 /nfs/dbraw/zinc/08/91/73/520089173.db2.gz BQGAYBILRLYXRO-HOCLYGCPSA-N 1 3 262.397 2.102 10 0 CEAEHO CC[NH2+][C@@H]1CCCC[C@H]1N1CCN(CC(C)C)CC1 ZINC000055079159 520116959 /nfs/dbraw/zinc/11/69/59/520116959.db2.gz QKGLPAWZFDHCMJ-HZPDHXFCSA-N 1 3 267.461 2.181 10 0 CEAEHO CCCCC[NH2+]CCN1CCN([C@@H](C)CC)CC1 ZINC000055075086 520225089 /nfs/dbraw/zinc/22/50/89/520225089.db2.gz HEAQIYWGWBMTKY-HNNXBMFYSA-N 1 3 255.450 2.182 10 0 CEAEHO CCO[C@H]1CCCN(Cc2cccc(C[NH2+]C)c2)C1 ZINC000052372122 520526236 /nfs/dbraw/zinc/52/62/36/520526236.db2.gz CBRPKGWGTHQZRF-INIZCTEOSA-N 1 3 262.397 2.407 10 0 CEAEHO CCCC[NH2+]C[C@@H](C)N1CCN([C@@H](C)CC)CC1 ZINC000055075273 520691860 /nfs/dbraw/zinc/69/18/60/520691860.db2.gz LOKFHOISOTZNRC-LSDHHAIUSA-N 1 3 255.450 2.181 10 0 CEAEHO CCC[C@@H]([NH2+]C)[C@H](CC)N1CCN(CC(C)C)CC1 ZINC000055079239 520768278 /nfs/dbraw/zinc/76/82/78/520768278.db2.gz RPRGYKYSRRONJE-CVEARBPZSA-N 1 3 269.477 2.427 10 0 CEAEHO CCC(CC)[C@H](CNC(=O)[C@H](N)[C@@H](C)CC)[NH+]1CCCC1 ZINC000164393881 521616934 /nfs/dbraw/zinc/61/69/34/521616934.db2.gz CBYSMGVQBQVWTC-CWRNSKLLSA-N 1 3 297.487 2.377 10 0 CEAEHO CCC[N@H+](CC1CC1)CC1(CNC)CCOCC1 ZINC000052182674 521624823 /nfs/dbraw/zinc/62/48/23/521624823.db2.gz QAXHVLBVCDJCFF-UHFFFAOYSA-N 1 3 254.418 2.125 10 0 CEAEHO CCC[N@@H+](CC1CC1)CC1(CNC)CCOCC1 ZINC000052182674 521624828 /nfs/dbraw/zinc/62/48/28/521624828.db2.gz QAXHVLBVCDJCFF-UHFFFAOYSA-N 1 3 254.418 2.125 10 0 CEAEHO CCCN(CCN(C)C)c1ncc(C[NH2+]CC)s1 ZINC000054908131 521658814 /nfs/dbraw/zinc/65/88/14/521658814.db2.gz YNWVWOUYXQYOSU-UHFFFAOYSA-N 1 3 270.446 2.031 10 0 CEAEHO C[NH+](C)[C@@H]1CCN([C@@H](CN)c2cc3ccccc3o2)C1 ZINC000068812011 522053828 /nfs/dbraw/zinc/05/38/28/522053828.db2.gz KOMPOVBLIMCEPQ-KGLIPLIRSA-N 1 3 273.380 2.069 10 0 CEAEHO C[NH2+]C[C@H]1CC[C@H](CN(Cc2ccsc2)C2CC2)O1 ZINC000052542128 522095425 /nfs/dbraw/zinc/09/54/25/522095425.db2.gz VCCVBOJDPGYLQY-HUUCEWRRSA-N 1 3 280.437 2.480 10 0 CEAEHO C[NH2+]Cc1cc(CN(C)CCc2ccncc2)oc1C ZINC000052483077 522104886 /nfs/dbraw/zinc/10/48/86/522104886.db2.gz BKVVBCACUIICOU-UHFFFAOYSA-N 1 3 273.380 2.377 10 0 CEAEHO C[NH2+]Cc1sc(N2CCC[C@H]2CN(C)C)nc1C1CC1 ZINC000069182068 522167654 /nfs/dbraw/zinc/16/76/54/522167654.db2.gz CMEHHSKCJKGDHS-LBPRGKRZSA-N 1 3 294.468 2.270 10 0 CEAEHO CC[C@H]([NH3+])[C@H](c1ccco1)N1CC[C@H](N2CCCC2)C1 ZINC000062977509 522344702 /nfs/dbraw/zinc/34/47/02/522344702.db2.gz JQPNYAGBUODFPR-OFQRWUPVSA-N 1 3 277.412 2.228 10 0 CEAEHO C[NH2+][C@H]1CCCC[C@H]1CN1CCN(CC(C)C)CC1 ZINC000055082082 522490744 /nfs/dbraw/zinc/49/07/44/522490744.db2.gz VLJSJYWLVMIROR-HOTGVXAUSA-N 1 3 267.461 2.038 10 0 CEAEHO CC[C@@H](C[NH2+]CC(C)C)N1CCN(C(C)C)CC1 ZINC000052479997 522548402 /nfs/dbraw/zinc/54/84/02/522548402.db2.gz PDWZNYMFGLROGN-HNNXBMFYSA-N 1 3 255.450 2.037 10 0 CEAEHO CN(CCCN1[C@@H]2CC[C@H]1CC([NH3+])C2)c1ccccc1 ZINC000054627663 522751641 /nfs/dbraw/zinc/75/16/41/522751641.db2.gz KLNCYPSGIMBRAQ-ZXFUBFMLSA-N 1 3 273.424 2.467 10 0 CEAEHO CN1CCC(Oc2ccc(C(N)=[NH2+])cc2Cl)CC1 ZINC000062794765 523783134 /nfs/dbraw/zinc/78/31/34/523783134.db2.gz FAEAKDSUYSKWEN-UHFFFAOYSA-N 1 3 267.760 2.097 10 0 CEAEHO CN1CCN(Cc2ccccc2C[NH2+]C(C)(C)C)CC1 ZINC000052379586 523910761 /nfs/dbraw/zinc/91/07/61/523910761.db2.gz OUBNOCFAEHRCAY-UHFFFAOYSA-N 1 3 275.440 2.322 10 0 CEAEHO CC[C@H](C)N1CCN(Cc2ccccc2C[NH3+])CC1 ZINC000055064206 523956812 /nfs/dbraw/zinc/95/68/12/523956812.db2.gz REUZCBZBQAXPHS-AWEZNQCLSA-N 1 3 261.413 2.061 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C[NH3+])c2ccccc2OC)CC1 ZINC000055063640 523958525 /nfs/dbraw/zinc/95/85/25/523958525.db2.gz FCWROGPQROWBMC-HOCLYGCPSA-N 1 3 291.439 2.111 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C)CC[NH2+]CC(C)C)CC1 ZINC000055074885 523959179 /nfs/dbraw/zinc/95/91/79/523959179.db2.gz NNBQFLGLRLHAPS-JKSUJKDBSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000055063757 523959209 /nfs/dbraw/zinc/95/92/09/523959209.db2.gz DIHCMEBMRBONJG-UXLLHSPISA-N 1 3 275.440 2.491 10 0 CEAEHO CC[C@H](C)N1CCN(c2ccc(F)cc2C[NH2+]C)CC1 ZINC000055068741 523960224 /nfs/dbraw/zinc/96/02/24/523960224.db2.gz LJEYGFBOZSYGLZ-ZDUSSCGKSA-N 1 3 279.403 2.466 10 0 CEAEHO C[C@H](CCN(C)C)[NH2+][C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000049553682 524167259 /nfs/dbraw/zinc/16/72/59/524167259.db2.gz UKKJRTPWPIPLEA-VXGBXAGGSA-N 1 3 291.395 2.008 10 0 CEAEHO C[C@@H]1CCC[C@H]([NH2+]CCN2CCC[C@@H]2CN(C)C)C1 ZINC000061655196 524409505 /nfs/dbraw/zinc/40/95/05/524409505.db2.gz ZXKDMKYONVGOPO-OWCLPIDISA-N 1 3 267.461 2.181 10 0 CEAEHO Cc1ccc([C@H]([NH3+])CN2CCN(CC3CC3)CC2)c(C)c1 ZINC000048993080 525961852 /nfs/dbraw/zinc/96/18/52/525961852.db2.gz JLSFPKRDDHGTTJ-GOSISDBHSA-N 1 3 287.451 2.331 10 0 CEAEHO c1ccc2c(c1)CNC[C@H]2N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000069267297 526506490 /nfs/dbraw/zinc/50/64/90/526506490.db2.gz HVFPGTORISNUGX-NVXWUHKLSA-N 1 3 271.408 2.001 10 0 CEAEHO c1ccc2c(c1)CNC[C@H]2N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000069267297 526506497 /nfs/dbraw/zinc/50/64/97/526506497.db2.gz HVFPGTORISNUGX-NVXWUHKLSA-N 1 3 271.408 2.001 10 0 CEAEHO Cc1nc2sccn2c1C[NH2+][C@@H](C)CCN(C)C ZINC000049554053 527212169 /nfs/dbraw/zinc/21/21/69/527212169.db2.gz VFRFXTPPJBSJBL-JTQLQIEISA-N 1 3 266.414 2.134 10 0 CEAEHO [NH3+]C[C@H]1CC[C@H](CN(Cc2cccs2)C2CC2)O1 ZINC000052370697 527240842 /nfs/dbraw/zinc/24/08/42/527240842.db2.gz JAANDXSDBRSKFO-CHWSQXEVSA-N 1 3 266.410 2.219 10 0 CEAEHO CCC[C@@H](N)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000040803901 362000854 /nfs/dbraw/zinc/00/08/54/362000854.db2.gz VIFJWQDGBBUSDJ-OAHLLOKOSA-N 1 3 295.471 2.419 10 0 CEAEHO C[NH+](C)CCCN1CCC(c2ccc(N)cc2)CC1 ZINC000147639683 344412390 /nfs/dbraw/zinc/41/23/90/344412390.db2.gz JHUPJRIMRHAKSY-UHFFFAOYSA-N 1 3 261.413 2.400 10 0 CEAEHO C[C@H]([NH3+])c1ccc(CN2CCN3CCCC[C@H]3C2)cc1 ZINC000584645467 344972556 /nfs/dbraw/zinc/97/25/56/344972556.db2.gz ZNPWFBUZGMDYTB-YOEHRIQHSA-N 1 3 273.424 2.376 10 0 CEAEHO Cc1nccn1CC[N@@H+]1C[C@](C)(C2CC2)NCC1(C)C ZINC000085514533 179086158 /nfs/dbraw/zinc/08/61/58/179086158.db2.gz QOUXLSYCZAUTQJ-MRXNPFEDSA-N 1 3 276.428 2.044 10 0 CEAEHO Cc1nccn1CC[N@H+]1C[C@](C)(C2CC2)NCC1(C)C ZINC000085514533 179086159 /nfs/dbraw/zinc/08/61/59/179086159.db2.gz QOUXLSYCZAUTQJ-MRXNPFEDSA-N 1 3 276.428 2.044 10 0 CEAEHO CCC1(CC)C[N@H+](C[C@H]2CCCCO2)CCCN1 ZINC000085617489 179104469 /nfs/dbraw/zinc/10/44/69/179104469.db2.gz AJVKPLMLLZRZLX-CQSZACIVSA-N 1 3 254.418 2.410 10 0 CEAEHO CCC1(CC)C[N@@H+](C[C@H]2CCCCO2)CCCN1 ZINC000085617489 179104471 /nfs/dbraw/zinc/10/44/71/179104471.db2.gz AJVKPLMLLZRZLX-CQSZACIVSA-N 1 3 254.418 2.410 10 0 CEAEHO CCN1CC[C@@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000085674283 179111730 /nfs/dbraw/zinc/11/17/30/179111730.db2.gz BHJDVDNRWWZANH-XQLPTFJDSA-N 1 3 266.429 2.121 10 0 CEAEHO CC[C@H]1CN[C@@H](C(C)C)C[N@@H+]1C[C@@H]1CCCCN1C ZINC000086173736 179244745 /nfs/dbraw/zinc/24/47/45/179244745.db2.gz SNJHGDNDPGEULX-HRCADAONSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1CN[C@@H](C(C)C)C[N@H+]1C[C@@H]1CCCCN1C ZINC000086173736 179244747 /nfs/dbraw/zinc/24/47/47/179244747.db2.gz SNJHGDNDPGEULX-HRCADAONSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CCCCN1C ZINC000086173736 179244748 /nfs/dbraw/zinc/24/47/48/179244748.db2.gz SNJHGDNDPGEULX-HRCADAONSA-N 1 3 267.461 2.179 10 0 CEAEHO C[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1C1CCN(C)CC1 ZINC000086217825 179249595 /nfs/dbraw/zinc/24/95/95/179249595.db2.gz JORVJRSHZZPYHD-RHSMWYFYSA-N 1 3 279.472 2.323 10 0 CEAEHO C[C@@H]1CN[C@@H](C2CCCCC2)C[N@@H+]1C1CCN(C)CC1 ZINC000086217825 179249597 /nfs/dbraw/zinc/24/95/97/179249597.db2.gz JORVJRSHZZPYHD-RHSMWYFYSA-N 1 3 279.472 2.323 10 0 CEAEHO C[C@@H]1CN[C@@H](C2CCCCC2)C[N@H+]1C1CCN(C)CC1 ZINC000086217825 179249599 /nfs/dbraw/zinc/24/95/99/179249599.db2.gz JORVJRSHZZPYHD-RHSMWYFYSA-N 1 3 279.472 2.323 10 0 CEAEHO CC[C@@H]1CN[C@](C)(CC)C[N@@H+]1C[C@@H]1CCN(CC)C1 ZINC000086223034 179251080 /nfs/dbraw/zinc/25/10/80/179251080.db2.gz OBNNTZZJWGASKE-BZUAXINKSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@@H]1CN[C@](C)(CC)C[N@H+]1C[C@@H]1CCN(CC)C1 ZINC000086223034 179251083 /nfs/dbraw/zinc/25/10/83/179251083.db2.gz OBNNTZZJWGASKE-BZUAXINKSA-N 1 3 267.461 2.181 10 0 CEAEHO CC(C)[C@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223185 179251985 /nfs/dbraw/zinc/25/19/85/179251985.db2.gz VZGGZBNVCIBAJF-BZUAXINKSA-N 1 3 281.488 2.283 10 0 CEAEHO CC(C)[C@H]1CN[C@@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223185 179251987 /nfs/dbraw/zinc/25/19/87/179251987.db2.gz VZGGZBNVCIBAJF-BZUAXINKSA-N 1 3 281.488 2.283 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259587 179257769 /nfs/dbraw/zinc/25/77/69/179257769.db2.gz OVCHMINBZTYZQS-DJIMGWMZSA-N 1 3 277.456 2.076 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(C2CC2)C[N@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259587 179257772 /nfs/dbraw/zinc/25/77/72/179257772.db2.gz OVCHMINBZTYZQS-DJIMGWMZSA-N 1 3 277.456 2.076 10 0 CEAEHO CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259587 179257773 /nfs/dbraw/zinc/25/77/73/179257773.db2.gz OVCHMINBZTYZQS-DJIMGWMZSA-N 1 3 277.456 2.076 10 0 CEAEHO C[C@@H]1C[C@@H]([NH2+][C@@H](CN(C)C)c2ccccc2)CCN1C ZINC000129854249 365899531 /nfs/dbraw/zinc/89/95/31/365899531.db2.gz IXNRRRANGGKUPG-PVAVHDDUSA-N 1 3 275.440 2.362 10 0 CEAEHO C[C@H]([C@@H]1CCCO1)[N@@H+]1CCCN[C@@](C)(C2CC2)C1 ZINC000086287099 179264204 /nfs/dbraw/zinc/26/42/04/179264204.db2.gz ADRIXZDXDFEJEZ-VHDGCEQUSA-N 1 3 252.402 2.018 10 0 CEAEHO C[C@H]([C@@H]1CCCO1)[N@H+]1CCCN[C@@](C)(C2CC2)C1 ZINC000086287099 179264206 /nfs/dbraw/zinc/26/42/06/179264206.db2.gz ADRIXZDXDFEJEZ-VHDGCEQUSA-N 1 3 252.402 2.018 10 0 CEAEHO C[C@H]([C@@H]1CCCO1)N1CCC[NH2+][C@@](C)(C2CC2)C1 ZINC000086287099 179264208 /nfs/dbraw/zinc/26/42/08/179264208.db2.gz ADRIXZDXDFEJEZ-VHDGCEQUSA-N 1 3 252.402 2.018 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@@H+]([C@@H](C)[C@@H]2CCCO2)CCCN1 ZINC000086287087 179264398 /nfs/dbraw/zinc/26/43/98/179264398.db2.gz GFMRCZKLCPPUPS-XQLPTFJDSA-N 1 3 254.418 2.264 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@H+]([C@@H](C)[C@@H]2CCCO2)CCCN1 ZINC000086287087 179264400 /nfs/dbraw/zinc/26/44/00/179264400.db2.gz GFMRCZKLCPPUPS-XQLPTFJDSA-N 1 3 254.418 2.264 10 0 CEAEHO CC(C)[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CC1CCN(C)CC1 ZINC000086258989 179257121 /nfs/dbraw/zinc/25/71/21/179257121.db2.gz KIDSLTRTDYUILB-QZTJIDSGSA-N 1 3 293.499 2.427 10 0 CEAEHO CC(C)[C@H]1CN[C@@](C)(C2CC2)C[N@H+]1CC1CCN(C)CC1 ZINC000086258989 179257123 /nfs/dbraw/zinc/25/71/23/179257123.db2.gz KIDSLTRTDYUILB-QZTJIDSGSA-N 1 3 293.499 2.427 10 0 CEAEHO CCC1(CC)CN([C@H]2CCN(C3CC3)C2)CCC[NH2+]1 ZINC000086292000 179266689 /nfs/dbraw/zinc/26/66/89/179266689.db2.gz NJAGXNRLSRDYGO-HNNXBMFYSA-N 1 3 265.445 2.077 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@@H+]([C@@H]2CCC[C@@H]2OC)CCCN1 ZINC000086293511 179267425 /nfs/dbraw/zinc/26/74/25/179267425.db2.gz NLBYXSPJTXIWOZ-YJNKXOJESA-N 1 3 254.418 2.264 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@H+]([C@@H]2CCC[C@@H]2OC)CCCN1 ZINC000086293511 179267426 /nfs/dbraw/zinc/26/74/26/179267426.db2.gz NLBYXSPJTXIWOZ-YJNKXOJESA-N 1 3 254.418 2.264 10 0 CEAEHO CC[C@H](C)[C@H]1CN([C@@H]2CCC[C@@H]2OC)CCC[NH2+]1 ZINC000086293511 179267427 /nfs/dbraw/zinc/26/74/27/179267427.db2.gz NLBYXSPJTXIWOZ-YJNKXOJESA-N 1 3 254.418 2.264 10 0 CEAEHO C[C@@H]1CCC[C@]1(CN)[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC000086677251 179319516 /nfs/dbraw/zinc/31/95/16/179319516.db2.gz MGSMZZWJPMAENC-OWCLPIDISA-N 1 3 265.445 2.064 10 0 CEAEHO C[C@@H]1CCC[C@]1(CN)[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000086677251 179319519 /nfs/dbraw/zinc/31/95/19/179319519.db2.gz MGSMZZWJPMAENC-OWCLPIDISA-N 1 3 265.445 2.064 10 0 CEAEHO CC(C)N1CCC[C@H]([NH2+]CCCOC[C@@H]2CCCO2)CC1 ZINC000086836698 179351229 /nfs/dbraw/zinc/35/12/29/179351229.db2.gz FTJSWPOLALSNJT-IRXDYDNUSA-N 1 3 298.471 2.425 10 0 CEAEHO CC(C)N1CCC[C@@H]([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000086842234 179352660 /nfs/dbraw/zinc/35/26/60/179352660.db2.gz HCWRGCGGSKTHSB-CABCVRRESA-N 1 3 254.418 2.408 10 0 CEAEHO CCC[NH+](CCC)[C@]1(CN)CCCN(CC)CC1 ZINC000086846506 179355374 /nfs/dbraw/zinc/35/53/74/179355374.db2.gz MQTCAKMPONWDLG-OAHLLOKOSA-N 1 3 255.450 2.312 10 0 CEAEHO CN(C)Cc1ccccc1C[NH2+][C@H]1CCCOCC1 ZINC000086869867 179363494 /nfs/dbraw/zinc/36/34/94/179363494.db2.gz PXCBDKNIWUOAOG-INIZCTEOSA-N 1 3 262.397 2.407 10 0 CEAEHO C[C@@H]1CCC[C@](CN)([N@H+](C)C[C@@H]2CCN(C)C2)CC1 ZINC000086891420 179366257 /nfs/dbraw/zinc/36/62/57/179366257.db2.gz PPJKADDOCRUZCF-OAGGEKHMSA-N 1 3 267.461 2.168 10 0 CEAEHO C[C@@H]1CCC[C@](CN)([N@@H+](C)C[C@@H]2CCN(C)C2)CC1 ZINC000086891420 179366258 /nfs/dbraw/zinc/36/62/58/179366258.db2.gz PPJKADDOCRUZCF-OAGGEKHMSA-N 1 3 267.461 2.168 10 0 CEAEHO CCCn1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000091012214 180086082 /nfs/dbraw/zinc/08/60/82/180086082.db2.gz PIWCZEXZFOLLLO-OAHLLOKOSA-N 1 3 261.413 2.472 10 0 CEAEHO c1ccc([C@@H]2C[C@@H]2NCC[C@@H]2CSCC[NH2+]2)cc1 ZINC000091292191 180123444 /nfs/dbraw/zinc/12/34/44/180123444.db2.gz RLBJJGYAMXJXRO-ILXRZTDVSA-N 1 3 262.422 2.227 10 0 CEAEHO C[N@H+](CC[C@H]1CSCCN1)Cc1ccc(F)cc1 ZINC000091292060 180123681 /nfs/dbraw/zinc/12/36/81/180123681.db2.gz IDQHXZFJSHRTST-AWEZNQCLSA-N 1 3 268.401 2.353 10 0 CEAEHO C[N@@H+](CC[C@H]1CSCCN1)Cc1ccc(F)cc1 ZINC000091292060 180123683 /nfs/dbraw/zinc/12/36/83/180123683.db2.gz IDQHXZFJSHRTST-AWEZNQCLSA-N 1 3 268.401 2.353 10 0 CEAEHO C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1CN(C)CC1CC(O)C1 ZINC000091490577 180169514 /nfs/dbraw/zinc/16/95/14/180169514.db2.gz KTDKLRVGNSNMMB-HXSCFSKGSA-N 1 3 268.445 2.103 10 0 CEAEHO CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CN(C)CC1CC(O)C1 ZINC000091499033 180173770 /nfs/dbraw/zinc/17/37/70/180173770.db2.gz VHUIQLDBIZAUND-OHYMQKJLSA-N 1 3 282.472 2.494 10 0 CEAEHO CCC(CC)([C@H]([NH2+]C)[C@H]1CCOC1)N1CCCC1 ZINC000091635072 180211545 /nfs/dbraw/zinc/21/15/45/180211545.db2.gz ZJPDSAWEYIUWRM-UONOGXRCSA-N 1 3 254.418 2.266 10 0 CEAEHO CC(C)n1cncc1CN(C)C1CCC([NH3+])CC1 ZINC000091844502 180269545 /nfs/dbraw/zinc/26/95/45/180269545.db2.gz PBDHXYSESSTHIL-UHFFFAOYSA-N 1 3 250.390 2.166 10 0 CEAEHO CC[NH2+]C1CCC(N(C)CC(=O)Nc2ccccc2)CC1 ZINC000091870308 180277081 /nfs/dbraw/zinc/27/70/81/180277081.db2.gz RITTUHAWWNMBPP-UHFFFAOYSA-N 1 3 289.423 2.478 10 0 CEAEHO C[NH2+]C1CCC(N(C)[C@@H](C)C(=O)Nc2ccccc2)CC1 ZINC000091870557 180277233 /nfs/dbraw/zinc/27/72/33/180277233.db2.gz LCNJJBAJHLJORS-HLIUYOAVSA-N 1 3 289.423 2.476 10 0 CEAEHO [NH3+][C@H]1C=C[C@H](C(=O)Nc2cccc(CN3CCCC3)c2)C1 ZINC000092202933 180343474 /nfs/dbraw/zinc/34/34/74/180343474.db2.gz XZMGMELAFRDRNV-GJZGRUSLSA-N 1 3 285.391 2.124 10 0 CEAEHO CCC[NH+](CCC)CCCC(=O)N1CC[C@H](N(C)C)C1 ZINC000107352833 186172489 /nfs/dbraw/zinc/17/24/89/186172489.db2.gz LCZCBQMIIMFCGG-HNNXBMFYSA-N 1 3 283.460 2.051 10 0 CEAEHO CCN(CC)CCc1noc([C@@H](C(C)C)[C@@H](C)[NH3+])n1 ZINC000109496056 186256556 /nfs/dbraw/zinc/25/65/56/186256556.db2.gz MQIGBJAMLSZEFX-YPMHNXCESA-N 1 3 268.405 2.041 10 0 CEAEHO CCN(CC)CCc1noc([C@H](C(C)C)[C@@H](C)[NH2+]C)n1 ZINC000109496311 186256570 /nfs/dbraw/zinc/25/65/70/186256570.db2.gz NAVIUJNMXOSSIJ-TZMCWYRMSA-N 1 3 282.432 2.301 10 0 CEAEHO Cc1ccc(C)c(CN2CCN(C(C)(C)C[NH3+])CC2)c1 ZINC000109464021 186253486 /nfs/dbraw/zinc/25/34/86/186253486.db2.gz ZHYODIOHKHHOEV-UHFFFAOYSA-N 1 3 275.440 2.158 10 0 CEAEHO COc1ccc(F)cc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000110650748 186310627 /nfs/dbraw/zinc/31/06/27/186310627.db2.gz PPLRKOWFCBNHEO-LLVKDONJSA-N 1 3 266.360 2.394 10 0 CEAEHO C[C@@H]([NH3+])C1CCN(Cc2ccc3c(c2)OCCCO3)CC1 ZINC000110645358 186309264 /nfs/dbraw/zinc/30/92/64/186309264.db2.gz BOASCTKBUPXWEJ-CYBMUJFWSA-N 1 3 290.407 2.407 10 0 CEAEHO Cc1ccccc1[C@@H]([C@H](C)[NH3+])N1CCN(C)C(C)(C)C1 ZINC000110704913 186313908 /nfs/dbraw/zinc/31/39/08/186313908.db2.gz WPZXZWVNKPMRGH-GOEBONIOSA-N 1 3 275.440 2.409 10 0 CEAEHO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CCN(C)C(C)(C)C1 ZINC000110716901 186315288 /nfs/dbraw/zinc/31/52/88/186315288.db2.gz WWRUKEHXXASRDA-ZNMIVQPWSA-N 1 3 267.461 2.179 10 0 CEAEHO CCOc1ccc([C@@H](C[NH3+])N2CCN(C)C(C)(C)C2)cc1 ZINC000110712183 186315596 /nfs/dbraw/zinc/31/55/96/186315596.db2.gz QOLBPZZCDPMWCX-MRXNPFEDSA-N 1 3 291.439 2.111 10 0 CEAEHO CC[NH2+][C@@H](CN1CCN(C)[C@@H](CC)C1)c1ccccc1 ZINC000110715825 186316453 /nfs/dbraw/zinc/31/64/53/186316453.db2.gz KGGGNXREUQRYTF-IRXDYDNUSA-N 1 3 275.440 2.363 10 0 CEAEHO C[C@H](C[NH2+]C1CCCCC1)N1CCN(C)C(C)(C)C1 ZINC000110757701 186319748 /nfs/dbraw/zinc/31/97/48/186319748.db2.gz JLXBDPIOPJCJMH-CQSZACIVSA-N 1 3 267.461 2.323 10 0 CEAEHO CC(C)C[NH2+]CCCCCN1CCN(C)[C@@H](C)C1 ZINC000110751263 186319839 /nfs/dbraw/zinc/31/98/39/186319839.db2.gz AGXFRYSKJVUWOR-HNNXBMFYSA-N 1 3 255.450 2.038 10 0 CEAEHO C[C@H](CC[NH2+]C(C)(C)C)N1CCN(C)C(C)(C)C1 ZINC000110755307 186320135 /nfs/dbraw/zinc/32/01/35/186320135.db2.gz LRWAVEBEYQBXCQ-CYBMUJFWSA-N 1 3 255.450 2.179 10 0 CEAEHO CC(C)CC[NH2+]C[C@@H](C)N1CCN(C)C(C)(C)C1 ZINC000110757961 186321782 /nfs/dbraw/zinc/32/17/82/186321782.db2.gz HPPPINOAQXVTNM-CQSZACIVSA-N 1 3 255.450 2.037 10 0 CEAEHO C[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N(C)CCN(C)C ZINC000111130191 186356129 /nfs/dbraw/zinc/35/61/29/186356129.db2.gz ZFUBLZJLNGASBA-FZMZJTMJSA-N 1 3 269.820 2.222 10 0 CEAEHO C[C@H]1C[C@H]1c1ccc([C@@H](CN)N(C)CCC[NH+](C)C)o1 ZINC000111133924 186356346 /nfs/dbraw/zinc/35/63/46/186356346.db2.gz UULGLRFQEOWTQM-BFHYXJOUSA-N 1 3 279.428 2.286 10 0 CEAEHO CC[C@H]([NH3+])[C@H](c1ccccc1F)N(C)CCN(C)C ZINC000111129694 186356812 /nfs/dbraw/zinc/35/68/12/186356812.db2.gz IGXCMAVIJRQSCT-GJZGRUSLSA-N 1 3 267.392 2.098 10 0 CEAEHO CCC[NH2+][C@@H]1CCCCC[C@@H]1N(C)CCN(C)C ZINC000111135508 186356984 /nfs/dbraw/zinc/35/69/84/186356984.db2.gz ALEFNYWLQSJRSB-CABCVRRESA-N 1 3 255.450 2.181 10 0 CEAEHO CCC[C@@](C)(C[NH2+]C1CC1)CN(C)CCN(C)C ZINC000111146869 186358743 /nfs/dbraw/zinc/35/87/43/186358743.db2.gz VRWZNENSICAGOV-HNNXBMFYSA-N 1 3 255.450 2.038 10 0 CEAEHO CC[NH2+]C[C@@](C)(CN(C)CCN(C)C)c1ccccc1 ZINC000111146628 186358909 /nfs/dbraw/zinc/35/89/09/186358909.db2.gz KVABMGUCRDMASC-KRWDZBQOSA-N 1 3 277.456 2.047 10 0 CEAEHO Cc1ccccc1[C@H](O)CC[N@@H+](C)CCCN(C)C ZINC000111148729 186359311 /nfs/dbraw/zinc/35/93/11/186359311.db2.gz GFSSBIMARJRDSW-MRXNPFEDSA-N 1 3 264.413 2.302 10 0 CEAEHO Cc1ccccc1[C@H](O)CC[N@H+](C)CCCN(C)C ZINC000111148729 186359312 /nfs/dbraw/zinc/35/93/12/186359312.db2.gz GFSSBIMARJRDSW-MRXNPFEDSA-N 1 3 264.413 2.302 10 0 CEAEHO C[N@H+](CC1CCOCC1)CC(C)(C)CNC1CC1 ZINC000111172329 186365662 /nfs/dbraw/zinc/36/56/62/186365662.db2.gz OHODJCXJVZYJHC-UHFFFAOYSA-N 1 3 254.418 2.123 10 0 CEAEHO C[N@@H+](CC1CCOCC1)CC(C)(C)CNC1CC1 ZINC000111172329 186365663 /nfs/dbraw/zinc/36/56/63/186365663.db2.gz OHODJCXJVZYJHC-UHFFFAOYSA-N 1 3 254.418 2.123 10 0 CEAEHO CN(CC1CCOCC1)CC(C)(C)C[NH2+]C1CC1 ZINC000111172329 186365665 /nfs/dbraw/zinc/36/56/65/186365665.db2.gz OHODJCXJVZYJHC-UHFFFAOYSA-N 1 3 254.418 2.123 10 0 CEAEHO CN(C[C@@H]1CCCOC1)C[C@@](C)(C[NH3+])c1ccccc1 ZINC000111172048 186365794 /nfs/dbraw/zinc/36/57/94/186365794.db2.gz CBUBQCJFNQCSRL-DOTOQJQBSA-N 1 3 276.424 2.261 10 0 CEAEHO CC(C)[NH2+]CC1(CN(C)C[C@H]2CCCOC2)CCOCC1 ZINC000111172145 186365839 /nfs/dbraw/zinc/36/58/39/186365839.db2.gz YXQYUVPKOJGAEI-MRXNPFEDSA-N 1 3 298.471 2.140 10 0 CEAEHO CCNC[C@@]1(C[N@@H+]2CCC[C@@H]2CC)CCCOC1 ZINC000111323332 186396657 /nfs/dbraw/zinc/39/66/57/186396657.db2.gz GBPAOPHXMHVMCK-LSDHHAIUSA-N 1 3 254.418 2.267 10 0 CEAEHO CCNC[C@@]1(C[N@H+]2CCC[C@@H]2CC)CCCOC1 ZINC000111323332 186396659 /nfs/dbraw/zinc/39/66/59/186396659.db2.gz GBPAOPHXMHVMCK-LSDHHAIUSA-N 1 3 254.418 2.267 10 0 CEAEHO CC(C)C[NH2+]C[C@]1(CN(C)C(C)C)CCCOC1 ZINC000111323989 186396932 /nfs/dbraw/zinc/39/69/32/186396932.db2.gz BTPHUANLFSQAMZ-HNNXBMFYSA-N 1 3 256.434 2.369 10 0 CEAEHO CC(C)CN(C)C[C@@]1(C[NH2+]C(C)C)CCCOC1 ZINC000111324867 186399018 /nfs/dbraw/zinc/39/90/18/186399018.db2.gz UHWJGLPXBDOTRO-HNNXBMFYSA-N 1 3 256.434 2.369 10 0 CEAEHO CC(C)C[N@H+](C)C[C@@]1(CNC(C)C)CCCOC1 ZINC000111324867 186399020 /nfs/dbraw/zinc/39/90/20/186399020.db2.gz UHWJGLPXBDOTRO-HNNXBMFYSA-N 1 3 256.434 2.369 10 0 CEAEHO CC(C)C[N@@H+](C)C[C@@]1(CNC(C)C)CCCOC1 ZINC000111324867 186399021 /nfs/dbraw/zinc/39/90/21/186399021.db2.gz UHWJGLPXBDOTRO-HNNXBMFYSA-N 1 3 256.434 2.369 10 0 CEAEHO CCC[NH2+][C@@H](C)C1CCN(CC(=O)N2CCCCC2)CC1 ZINC000111710148 186449022 /nfs/dbraw/zinc/44/90/22/186449022.db2.gz XRMRIZHMFGWOOL-HNNXBMFYSA-N 1 3 295.471 2.099 10 0 CEAEHO C[NH2+]CCOCCN(C)c1cc(C)nc2ccccc21 ZINC000630530909 351774315 /nfs/dbraw/zinc/77/43/15/351774315.db2.gz POKMMXJBFXURLX-UHFFFAOYSA-N 1 3 273.380 2.215 10 0 CEAEHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCC[C@@H]1CCCO1 ZINC000093515908 539852274 /nfs/dbraw/zinc/85/22/74/539852274.db2.gz BXNKGKQEEUSVIH-KFWWJZLASA-N 1 3 254.418 2.456 10 0 CEAEHO N[C@@H](CCC[NH3+])c1c(F)cccc1Br ZINC000575440378 366287287 /nfs/dbraw/zinc/28/72/87/366287287.db2.gz RENCLGXGBSWUHP-VIFPVBQESA-N 1 3 261.138 2.327 10 0 CEAEHO COc1cccc([C@@H](N)c2cccn2CC[NH+](C)C)c1 ZINC000011848783 361366508 /nfs/dbraw/zinc/36/65/08/361366508.db2.gz QPBNBKFJMRTRIN-MRXNPFEDSA-N 1 3 273.380 2.106 10 0 CEAEHO COc1ccc(CCN(C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000231670274 370487113 /nfs/dbraw/zinc/48/71/13/370487113.db2.gz VTVVWKAUFIKHSV-OAHLLOKOSA-N 1 3 262.397 2.312 10 0 CEAEHO COc1ccc(CC[N@H+](C)[C@@H]2CCCNCC2)cc1 ZINC000231670274 370487118 /nfs/dbraw/zinc/48/71/18/370487118.db2.gz VTVVWKAUFIKHSV-OAHLLOKOSA-N 1 3 262.397 2.312 10 0 CEAEHO COc1ccc(CC[N@@H+](C)[C@@H]2CCCNCC2)cc1 ZINC000231670274 370487125 /nfs/dbraw/zinc/48/71/25/370487125.db2.gz VTVVWKAUFIKHSV-OAHLLOKOSA-N 1 3 262.397 2.312 10 0 CEAEHO C[C@H](CN(C)Cc1ccccc1)N[C@@H]1CCC[NH2+]CC1 ZINC000261557574 371644764 /nfs/dbraw/zinc/64/47/64/371644764.db2.gz XMCRTDJXMPLETH-NVXWUHKLSA-N 1 3 275.440 2.239 10 0 CEAEHO CCC1CCC([N@H+](CCO)C[C@@H]2CCCNC2)CC1 ZINC000261999465 371795032 /nfs/dbraw/zinc/79/50/32/371795032.db2.gz TZDVSTJHTLYZHR-HWOWSKLDSA-N 1 3 268.445 2.249 10 0 CEAEHO CCC1CCC([N@@H+](CCO)C[C@@H]2CCCNC2)CC1 ZINC000261999465 371795035 /nfs/dbraw/zinc/79/50/35/371795035.db2.gz TZDVSTJHTLYZHR-HWOWSKLDSA-N 1 3 268.445 2.249 10 0 CEAEHO NC[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1c1ccccc1 ZINC000262308299 371848598 /nfs/dbraw/zinc/84/85/98/371848598.db2.gz YOLOXBKHVJQOQZ-SJORKVTESA-N 1 3 274.408 2.087 10 0 CEAEHO NC[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1c1ccccc1 ZINC000262308299 371848604 /nfs/dbraw/zinc/84/86/04/371848604.db2.gz YOLOXBKHVJQOQZ-SJORKVTESA-N 1 3 274.408 2.087 10 0 CEAEHO CCC1(C[NH2+][C@H](C)[C@H]2CCCNC2)CCOCC1 ZINC000573436942 299441180 /nfs/dbraw/zinc/44/11/80/299441180.db2.gz PYRWIWVIGONCSP-KGLIPLIRSA-N 1 3 254.418 2.171 10 0 CEAEHO C[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000562960086 377037319 /nfs/dbraw/zinc/03/73/19/377037319.db2.gz AZJDRUXVZCRCJU-RYRKJORJSA-N 1 3 289.467 2.485 10 0 CEAEHO C[C@@H](C[C@@H]1CCCCN1C(=O)OC(C)(C)C)[NH2+]CCCN ZINC000093486060 184683165 /nfs/dbraw/zinc/68/31/65/184683165.db2.gz SEAZIOSRZMECHH-KBPBESRZSA-N 1 3 299.459 2.493 10 0 CEAEHO C[C@@H](NCCc1cc(F)cc(F)c1)[C@H]1CC[NH2+]C1 ZINC000400409608 533403605 /nfs/dbraw/zinc/40/36/05/533403605.db2.gz STJIYMIWMMTOAC-PWSUYJOCSA-N 1 3 254.324 2.095 10 0 CEAEHO CCN(CCC(C)(C)C(=O)OC)[C@@H]1CCC[NH2+]CC1 ZINC000262052806 394612637 /nfs/dbraw/zinc/61/26/37/394612637.db2.gz ZWIQRJHCCUUMFC-CYBMUJFWSA-N 1 3 270.417 2.040 10 0 CEAEHO CC[N@H+](CCC(C)(C)C(=O)OC)[C@@H]1CCCNCC1 ZINC000262052806 394612647 /nfs/dbraw/zinc/61/26/47/394612647.db2.gz ZWIQRJHCCUUMFC-CYBMUJFWSA-N 1 3 270.417 2.040 10 0 CEAEHO CC[N@@H+](CCC(C)(C)C(=O)OC)[C@@H]1CCCNCC1 ZINC000262052806 394612650 /nfs/dbraw/zinc/61/26/50/394612650.db2.gz ZWIQRJHCCUUMFC-CYBMUJFWSA-N 1 3 270.417 2.040 10 0 CEAEHO CCC[C@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)N(C)C ZINC000121828437 394805366 /nfs/dbraw/zinc/80/53/66/394805366.db2.gz IGPHWIWWAMIUNK-LSDHHAIUSA-N 1 3 283.460 2.097 10 0 CEAEHO CCC[C@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)N(C)C ZINC000121828437 394805369 /nfs/dbraw/zinc/80/53/69/394805369.db2.gz IGPHWIWWAMIUNK-LSDHHAIUSA-N 1 3 283.460 2.097 10 0 CEAEHO CC1(c2ccccc2)CCC(NC[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263263055 154044051 /nfs/dbraw/zinc/04/40/51/154044051.db2.gz REXYOWYEQXLPJA-YKWDICOMSA-N 1 3 288.435 2.057 10 0 CEAEHO CC1(c2ccccc2)CCC([NH2+]C[C@H]2CNC[C@@H]2O)CC1 ZINC000263263055 154044053 /nfs/dbraw/zinc/04/40/53/154044053.db2.gz REXYOWYEQXLPJA-YKWDICOMSA-N 1 3 288.435 2.057 10 0 CEAEHO CCCN1CCC([NH2+]C[C@@H](C(C)C)N(C)C)CC1 ZINC000020145517 171030704 /nfs/dbraw/zinc/03/07/04/171030704.db2.gz WQTDDWJFOACAMV-HNNXBMFYSA-N 1 3 255.450 2.037 10 0 CEAEHO CCCN1CCN([C@H](C[NH3+])c2ccc(C)cc2C)CC1 ZINC000022162869 171364721 /nfs/dbraw/zinc/36/47/21/171364721.db2.gz GLEVYRFUIXWVBM-QGZVFWFLSA-N 1 3 275.440 2.331 10 0 CEAEHO Cc1ccccc1[C@H](CN)[N@@H+](C)C1CCN(C)CC1 ZINC000022173624 171369513 /nfs/dbraw/zinc/36/95/13/171369513.db2.gz IRBPUQVKGFXFAN-INIZCTEOSA-N 1 3 261.413 2.021 10 0 CEAEHO Cc1ccccc1[C@H](CN)[N@H+](C)C1CCN(C)CC1 ZINC000022173624 171369514 /nfs/dbraw/zinc/36/95/14/171369514.db2.gz IRBPUQVKGFXFAN-INIZCTEOSA-N 1 3 261.413 2.021 10 0 CEAEHO CCN(CCN1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748394 174393228 /nfs/dbraw/zinc/39/32/28/174393228.db2.gz AWMXRBINZGQYRK-XYPWUTKMSA-N 1 3 265.445 2.077 10 0 CEAEHO CCCN1CCN([C@@H]2CCc3ccccc3[C@H]2[NH2+]C)CC1 ZINC000043805408 175107658 /nfs/dbraw/zinc/10/76/58/175107658.db2.gz PHASOLJWIMFPIO-QZTJIDSGSA-N 1 3 287.451 2.290 10 0 CEAEHO CCCN1CCN(C[C@@H]([NH2+]CC)c2ccccc2)CC1 ZINC000043805451 175107777 /nfs/dbraw/zinc/10/77/77/175107777.db2.gz XIGJWQKEYWJVNY-QGZVFWFLSA-N 1 3 275.440 2.365 10 0 CEAEHO C[NH2+][C@H](C)c1ccc(OC)c(CN2CCCN(C)CC2)c1 ZINC000043818276 175112764 /nfs/dbraw/zinc/11/27/64/175112764.db2.gz VVGWJSIJLCLYDL-CQSZACIVSA-N 1 3 291.439 2.113 10 0 CEAEHO CC[NH2+][C@H]1CCCC[C@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965642 175126989 /nfs/dbraw/zinc/12/69/89/175126989.db2.gz OSOMBHYYHPWJAT-LSDHHAIUSA-N 1 3 267.461 2.323 10 0 CEAEHO C[N@H+](CCC(=O)Nc1ccccc1CN)CC(C)(C)C ZINC000045068463 175300258 /nfs/dbraw/zinc/30/02/58/175300258.db2.gz ADKGMNHRPRORRG-UHFFFAOYSA-N 1 3 277.412 2.452 10 0 CEAEHO C[N@@H+](CCC(=O)Nc1ccccc1CN)CC(C)(C)C ZINC000045068463 175300260 /nfs/dbraw/zinc/30/02/60/175300260.db2.gz ADKGMNHRPRORRG-UHFFFAOYSA-N 1 3 277.412 2.452 10 0 CEAEHO CN[C@H]1CCOC[C@H]1[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073296 175302585 /nfs/dbraw/zinc/30/25/85/175302585.db2.gz MBYNEDQKLHTXTI-RRFJBIMHSA-N 1 3 252.402 2.018 10 0 CEAEHO CN[C@H]1CCOC[C@H]1[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073296 175302587 /nfs/dbraw/zinc/30/25/87/175302587.db2.gz MBYNEDQKLHTXTI-RRFJBIMHSA-N 1 3 252.402 2.018 10 0 CEAEHO CC[C@H]1CCCC[C@@]1(CN)[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071162240 176046631 /nfs/dbraw/zinc/04/66/31/176046631.db2.gz RTFZFIGXCBZJJC-PMPSAXMXSA-N 1 3 267.461 2.168 10 0 CEAEHO CC[C@H]1CCCC[C@@]1(CN)[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071162240 176046633 /nfs/dbraw/zinc/04/66/33/176046633.db2.gz RTFZFIGXCBZJJC-PMPSAXMXSA-N 1 3 267.461 2.168 10 0 CEAEHO CCC[C@H]1CC[C@H](CN)[C@H]([N@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071188219 176062603 /nfs/dbraw/zinc/06/26/03/176062603.db2.gz QQFJLNSMDZZAGG-YLFCFFPRSA-N 1 3 281.488 2.414 10 0 CEAEHO CCC[C@H]1CC[C@H](CN)[C@H]([N@@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071188219 176062604 /nfs/dbraw/zinc/06/26/04/176062604.db2.gz QQFJLNSMDZZAGG-YLFCFFPRSA-N 1 3 281.488 2.414 10 0 CEAEHO CN1CC[C@@H](C[N@H+](C)[C@@](C)(CN)CCc2ccccc2)C1 ZINC000071188546 176063108 /nfs/dbraw/zinc/06/31/08/176063108.db2.gz NMGIHTDXVHFXRP-QZTJIDSGSA-N 1 3 289.467 2.220 10 0 CEAEHO CN1CC[C@@H](C[N@@H+](C)[C@@](C)(CN)CCc2ccccc2)C1 ZINC000071188546 176063109 /nfs/dbraw/zinc/06/31/09/176063109.db2.gz NMGIHTDXVHFXRP-QZTJIDSGSA-N 1 3 289.467 2.220 10 0 CEAEHO CN(C[C@H]1CC[N@H+](C)C1)c1ccnc(CNC(C)(C)C)c1 ZINC000071191637 176070495 /nfs/dbraw/zinc/07/04/95/176070495.db2.gz ZVRNNIQNDDXAAU-AWEZNQCLSA-N 1 3 290.455 2.358 10 0 CEAEHO CN(C[C@H]1CC[N@@H+](C)C1)c1ccnc(CNC(C)(C)C)c1 ZINC000071191637 176070496 /nfs/dbraw/zinc/07/04/96/176070496.db2.gz ZVRNNIQNDDXAAU-AWEZNQCLSA-N 1 3 290.455 2.358 10 0 CEAEHO CN(C[C@H]1CC[N@H+](C)C1)c1nc(CN)cc2ccccc21 ZINC000071191772 176071829 /nfs/dbraw/zinc/07/18/29/176071829.db2.gz LNAXSYNNPOOZIY-ZDUSSCGKSA-N 1 3 284.407 2.081 10 0 CEAEHO CN(C[C@H]1CC[N@@H+](C)C1)c1nc(CN)cc2ccccc21 ZINC000071191772 176071830 /nfs/dbraw/zinc/07/18/30/176071830.db2.gz LNAXSYNNPOOZIY-ZDUSSCGKSA-N 1 3 284.407 2.081 10 0 CEAEHO CCN(Cc1ccc(F)cc1C[NH3+])[C@@H](C)COC ZINC000071263531 176096789 /nfs/dbraw/zinc/09/67/89/176096789.db2.gz YEUNFPXOTJVILG-NSHDSACASA-N 1 3 254.349 2.141 10 0 CEAEHO C[NH2+]CCCCCCN1CCN(CC(C)C)CC1 ZINC000071289804 176110262 /nfs/dbraw/zinc/11/02/62/176110262.db2.gz HBHQKRYPAYJRSY-UHFFFAOYSA-N 1 3 255.450 2.040 10 0 CEAEHO CCOC(=O)CCCCC[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000071293981 176111765 /nfs/dbraw/zinc/11/17/65/176111765.db2.gz NCDRBTYIVOWBBO-HNNXBMFYSA-N 1 3 284.444 2.430 10 0 CEAEHO CC[C@@H](C)[C@H]1C[N@H+](CCn2ccnc2C)[C@H](C2CC2)CN1 ZINC000071355314 176136699 /nfs/dbraw/zinc/13/66/99/176136699.db2.gz ZWHBQPWNOAUGRB-XYPHTWIQSA-N 1 3 290.455 2.290 10 0 CEAEHO CC[C@@H](C)[C@H]1C[N@@H+](CCn2ccnc2C)[C@H](C2CC2)CN1 ZINC000071355314 176136701 /nfs/dbraw/zinc/13/67/01/176136701.db2.gz ZWHBQPWNOAUGRB-XYPHTWIQSA-N 1 3 290.455 2.290 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@H+](CCn2ccnc2C)[C@H](C2CC2)CN1 ZINC000071355315 176137009 /nfs/dbraw/zinc/13/70/09/176137009.db2.gz ZWHBQPWNOAUGRB-XKQJLSEDSA-N 1 3 290.455 2.290 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@@H+](CCn2ccnc2C)[C@H](C2CC2)CN1 ZINC000071355315 176137010 /nfs/dbraw/zinc/13/70/10/176137010.db2.gz ZWHBQPWNOAUGRB-XKQJLSEDSA-N 1 3 290.455 2.290 10 0 CEAEHO CCN1CCN(CCC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000071401634 176154052 /nfs/dbraw/zinc/15/40/52/176154052.db2.gz AZRMOUULKCFJST-MRXNPFEDSA-N 1 3 261.413 2.104 10 0 CEAEHO [NH3+][C@@H]1CCC[C@@H](N2CCN(Cc3ccccc3)CC2)C1 ZINC000071613651 176233149 /nfs/dbraw/zinc/23/31/49/176233149.db2.gz OLPLSJBZHSPNJI-IAGOWNOFSA-N 1 3 273.424 2.074 10 0 CEAEHO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCCNCC2)CCO1 ZINC000423021435 270821260 /nfs/dbraw/zinc/82/12/60/270821260.db2.gz FBWUBVFOSSZQTN-IHRRRGAJSA-N 1 3 254.418 2.312 10 0 CEAEHO C[C@@H](NCCSc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400428563 274247518 /nfs/dbraw/zinc/24/75/18/274247518.db2.gz ZKEDVGWASCYYTK-OLZOCXBDSA-N 1 3 250.411 2.366 10 0 CEAEHO Cc1cc(N2CC[C@@H](N3CC[NH2+]CC3)C2)c2ccccc2n1 ZINC000262562263 278714633 /nfs/dbraw/zinc/71/46/33/278714633.db2.gz VSLIPMMRLWAZHR-OAHLLOKOSA-N 1 3 296.418 2.027 10 0 CEAEHO CCN1CCC([N@@H+]2CCCN(C3CCC3)CC2)CC1 ZINC000335188454 279258673 /nfs/dbraw/zinc/25/86/73/279258673.db2.gz HSKJOSYYJSFOIS-UHFFFAOYSA-N 1 3 265.445 2.031 10 0 CEAEHO CCN1CCC([N@H+]2CCCN(C3CCC3)CC2)CC1 ZINC000335188454 279258674 /nfs/dbraw/zinc/25/86/74/279258674.db2.gz HSKJOSYYJSFOIS-UHFFFAOYSA-N 1 3 265.445 2.031 10 0 CEAEHO CC(C)[NH2+]CC1(CN(C)[C@H]2CCSC2)CCOCC1 ZINC000052181492 519719791 /nfs/dbraw/zinc/71/97/91/519719791.db2.gz ANQAWVQYFVFCRK-AWEZNQCLSA-N 1 3 286.485 2.219 10 0 CEAEHO CC(C)[NH2+]C[C@@H]1CC[C@@H](CN(C)C[C@@H]2CCCCO2)O1 ZINC000052507634 519723620 /nfs/dbraw/zinc/72/36/20/519723620.db2.gz TYVYZWKKNWFRKT-JYJNAYRXSA-N 1 3 284.444 2.033 10 0 CEAEHO CC(C)C[NH2+]CC(C)(C)CN1CCC[C@H]1CCCO ZINC000052763386 519742783 /nfs/dbraw/zinc/74/27/83/519742783.db2.gz JJEXTNUGBKRHDW-HNNXBMFYSA-N 1 3 270.461 2.495 10 0 CEAEHO CC(C)C[NH2+]CC[C@@H](C)N1CCN(C(C)C)CC1 ZINC000052480173 519744255 /nfs/dbraw/zinc/74/42/55/519744255.db2.gz PLGVFXZBHRDABL-OAHLLOKOSA-N 1 3 255.450 2.037 10 0 CEAEHO CCCC1CC[NH+](CCCC[C@@](C)(NC)C(N)=O)CC1 ZINC000050905934 519900991 /nfs/dbraw/zinc/90/09/91/519900991.db2.gz MKYXDXJDRUYIPB-MRXNPFEDSA-N 1 3 283.460 2.132 10 0 CEAEHO CCC[NH2+]Cc1ccoc1CN(C)C1CCOCC1 ZINC000052481149 519960308 /nfs/dbraw/zinc/96/03/08/519960308.db2.gz OSLBEBAIMONIDT-UHFFFAOYSA-N 1 3 266.385 2.390 10 0 CEAEHO CCC[NH2+][C@@H](C)CCN1CCN([C@@H](C)CC)CC1 ZINC000055066134 519986080 /nfs/dbraw/zinc/98/60/80/519986080.db2.gz ALKONKZKALZNQY-GJZGRUSLSA-N 1 3 255.450 2.181 10 0 CEAEHO CC[NH2+]Cc1ccc(CN2CCC(OC)CC2)cc1 ZINC000052455383 519996502 /nfs/dbraw/zinc/99/65/02/519996502.db2.gz HECOJWLZQOWVQQ-UHFFFAOYSA-N 1 3 262.397 2.407 10 0 CEAEHO CCN[C@H](C)c1cnc(CC[NH+](CC)CC)nc1C ZINC000054962987 520181742 /nfs/dbraw/zinc/18/17/42/520181742.db2.gz HMJKDZUTTCXONS-GFCCVEGCSA-N 1 3 264.417 2.340 10 0 CEAEHO CCCN(CC[NH+](C)C)[C@@H]1CNCc2ccccc21 ZINC000069266808 521657409 /nfs/dbraw/zinc/65/74/09/521657409.db2.gz KVQJJEIKBNEBRK-MRXNPFEDSA-N 1 3 261.413 2.105 10 0 CEAEHO CCN1CCN(CCCCC[NH2+]C(C)(C)C)CC1 ZINC000052422458 521679141 /nfs/dbraw/zinc/67/91/41/521679141.db2.gz JZPBBPNGCZCLQR-UHFFFAOYSA-N 1 3 255.450 2.182 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000055065563 522130052 /nfs/dbraw/zinc/13/00/52/522130052.db2.gz GIHIYDUCDUPXFH-OWCLPIDISA-N 1 3 267.461 2.453 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C[NH3+])C2CCCCC2)CC1 ZINC000055064565 522132712 /nfs/dbraw/zinc/13/27/12/522132712.db2.gz FDNWQTFRSBTKRO-GDBMZVCRSA-N 1 3 267.461 2.310 10 0 CEAEHO C[C@H](NCCCN1CCc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400464961 533851859 /nfs/dbraw/zinc/85/18/59/533851859.db2.gz VTTNQHBUBYBLRX-HOCLYGCPSA-N 1 3 273.424 2.027 10 0 CEAEHO C[C@H](NCCCn1cnc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400462893 533854674 /nfs/dbraw/zinc/85/46/74/533854674.db2.gz VCEQYFSFHCRQLA-KBPBESRZSA-N 1 3 272.396 2.014 10 0 CEAEHO CC(C)(C)N1CCN(CC[NH2+]C2CCCCC2)CC1 ZINC000053342698 518710484 /nfs/dbraw/zinc/71/04/84/518710484.db2.gz DMHRWBVISZYHAT-UHFFFAOYSA-N 1 3 267.461 2.325 10 0 CEAEHO CC(C)[NH2+]C[C@@H](c1ccccc1)N1CCCN(C)CC1 ZINC000052424434 519723201 /nfs/dbraw/zinc/72/32/01/519723201.db2.gz WEKZYJLHAOCEJS-KRWDZBQOSA-N 1 3 275.440 2.363 10 0 CEAEHO CC(C)[C@@H](C[NH2+]C(C)(C)C)N1CCN(CC2CC2)CC1 ZINC000052372384 519794850 /nfs/dbraw/zinc/79/48/50/519794850.db2.gz ZKDNJXUMHKKMQZ-MRXNPFEDSA-N 1 3 281.488 2.427 10 0 CEAEHO CCCN1CCN([C@H](C[NH2+]C(C)(C)C)C(C)C)CC1 ZINC000052421705 519859438 /nfs/dbraw/zinc/85/94/38/519859438.db2.gz ZPVMCKZQQAKNTJ-OAHLLOKOSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[NH2+]CCC(=O)Nc1cccc(CN(CC)CC)c1 ZINC000061292751 519918517 /nfs/dbraw/zinc/91/85/17/519918517.db2.gz YXSNPSJYTFGEBK-UHFFFAOYSA-N 1 3 277.412 2.467 10 0 CEAEHO CCC[NH2+]C[C@@H](C(C)C)N1CCC[C@@H]1CN(C)C ZINC000061654737 519920104 /nfs/dbraw/zinc/92/01/04/519920104.db2.gz VXYDVYWJXNOBST-CABCVRRESA-N 1 3 255.450 2.037 10 0 CEAEHO CC[NH2+]C[C@H]1CC[C@@H](CN(CC)Cc2ccncc2)O1 ZINC000052515073 519977309 /nfs/dbraw/zinc/97/73/09/519977309.db2.gz ZZASOWSJBWCSAO-CVEARBPZSA-N 1 3 277.412 2.061 10 0 CEAEHO CCC[NH2+][C@H](C)[C@H](C)N1CCN([C@@H](C)CC)CC1 ZINC000055066165 520064562 /nfs/dbraw/zinc/06/45/62/520064562.db2.gz GDLUDOWBLSIWTP-ZNMIVQPWSA-N 1 3 255.450 2.179 10 0 CEAEHO CC[NH2+][C@@H](C)CC(=O)Nc1cccc(CN(C)C)c1 ZINC000061270548 520070719 /nfs/dbraw/zinc/07/07/19/520070719.db2.gz LTEGEHJLYBYHPN-LBPRGKRZSA-N 1 3 263.385 2.075 10 0 CEAEHO CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1CN(C)C[C@@H](C)O ZINC000054560654 520219409 /nfs/dbraw/zinc/21/94/09/520219409.db2.gz TWVMCQIOBJVZPR-QXSJWSMHSA-N 1 3 270.461 2.349 10 0 CEAEHO CCCCC[NH2+]C[C@@H](C)N1CCN(CC(C)C)CC1 ZINC000055075924 520224862 /nfs/dbraw/zinc/22/48/62/520224862.db2.gz GHNCQWJNNGHPJU-MRXNPFEDSA-N 1 3 269.477 2.428 10 0 CEAEHO CCO[C@H]1CCCN(Cc2ccc(C[NH2+]C)cc2)C1 ZINC000052372286 520525874 /nfs/dbraw/zinc/52/58/74/520525874.db2.gz WCWACBDCUZLNCA-INIZCTEOSA-N 1 3 262.397 2.407 10 0 CEAEHO CCC[C@@H](C)[C@H](C[NH3+])N1CCN([C@@H](C)CC)CC1 ZINC000055064428 520674165 /nfs/dbraw/zinc/67/41/65/520674165.db2.gz RADMAKODUYFGFX-ILXRZTDVSA-N 1 3 255.450 2.166 10 0 CEAEHO CCC[C@H](C)[C@H](C[NH3+])N1CCN(CC(C)C)CC1 ZINC000055078077 521066234 /nfs/dbraw/zinc/06/62/34/521066234.db2.gz PGUNHWJMSPAJNV-GJZGRUSLSA-N 1 3 255.450 2.024 10 0 CEAEHO CC[N@H+](CCn1cc(CNCC(C)C)nn1)CC(C)C ZINC000052449741 521184609 /nfs/dbraw/zinc/18/46/09/521184609.db2.gz GUSUMHHYLBSIEY-UHFFFAOYSA-N 1 3 281.448 2.002 10 0 CEAEHO CC[N@@H+](CCn1cc(CNCC(C)C)nn1)CC(C)C ZINC000052449741 521184614 /nfs/dbraw/zinc/18/46/14/521184614.db2.gz GUSUMHHYLBSIEY-UHFFFAOYSA-N 1 3 281.448 2.002 10 0 CEAEHO CCC(CC)[C@H](C[NH3+])N1CCN([C@H](C)CC)CC1 ZINC000055064554 521615671 /nfs/dbraw/zinc/61/56/71/521615671.db2.gz GSMYPNUJMMXGGU-HIFRSBDPSA-N 1 3 255.450 2.166 10 0 CEAEHO CCCN(CC[NH+](C)C)c1ccnc(CNC(C)C)c1 ZINC000051489901 521659102 /nfs/dbraw/zinc/65/91/02/521659102.db2.gz CZGGNVHLOLUCDU-UHFFFAOYSA-N 1 3 278.444 2.358 10 0 CEAEHO CN(C)C[C@H]1CCC[N@@H+]1[C@@H]1CCCCCC[C@@H]1N ZINC000061643551 521874222 /nfs/dbraw/zinc/87/42/22/521874222.db2.gz AZLVUTYGXUMVKA-QLFBSQMISA-N 1 3 253.434 2.063 10 0 CEAEHO CN(C)C[C@H]1CCC[N@H+]1[C@@H]1CCCCCC[C@@H]1N ZINC000061643551 521874226 /nfs/dbraw/zinc/87/42/26/521874226.db2.gz AZLVUTYGXUMVKA-QLFBSQMISA-N 1 3 253.434 2.063 10 0 CEAEHO C[NH+](C)C[C@H]1CCCN1c1cccc(Cl)c1CN ZINC000061641597 521876595 /nfs/dbraw/zinc/87/65/95/521876595.db2.gz QHNWRGROBNOXHW-LLVKDONJSA-N 1 3 267.804 2.329 10 0 CEAEHO CCc1ccccc1[C@@H](C[NH3+])N1CCN(C(C)C)CC1 ZINC000052203563 521932206 /nfs/dbraw/zinc/93/22/06/521932206.db2.gz XPBRBFTYDCFKNM-QGZVFWFLSA-N 1 3 275.440 2.275 10 0 CEAEHO CCc1ccccc1[C@H](C[NH3+])N1CCN(CC2CC2)CC1 ZINC000052203744 521953519 /nfs/dbraw/zinc/95/35/19/521953519.db2.gz QTQYWXNGFDUSPV-SFHVURJKSA-N 1 3 287.451 2.276 10 0 CEAEHO C[NH2+]CC1(CN2CC[C@H](c3ccccc3)C2)CCOCC1 ZINC000052182059 521971654 /nfs/dbraw/zinc/97/16/54/521971654.db2.gz VQQWGPKIZUBQNW-KRWDZBQOSA-N 1 3 288.435 2.492 10 0 CEAEHO CNCC1(C[N@@H+]2CC[C@H](c3ccccc3)C2)CCOCC1 ZINC000052182059 521971662 /nfs/dbraw/zinc/97/16/62/521971662.db2.gz VQQWGPKIZUBQNW-KRWDZBQOSA-N 1 3 288.435 2.492 10 0 CEAEHO CNCC1(C[N@H+]2CC[C@H](c3ccccc3)C2)CCOCC1 ZINC000052182059 521971673 /nfs/dbraw/zinc/97/16/73/521971673.db2.gz VQQWGPKIZUBQNW-KRWDZBQOSA-N 1 3 288.435 2.492 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](C[NH3+])c2ccccc2F)CC1 ZINC000055064010 522129336 /nfs/dbraw/zinc/12/93/36/522129336.db2.gz AQFOOQQNLVBSOC-CJNGLKHVSA-N 1 3 279.403 2.242 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C)CC[NH2+]CC(C)C)CC1 ZINC000055074883 522131915 /nfs/dbraw/zinc/13/19/15/522131915.db2.gz NNBQFLGLRLHAPS-HZPDHXFCSA-N 1 3 269.477 2.427 10 0 CEAEHO C[NH2+][C@H]1CCCCC[C@H]1N1CCN(CC(C)C)CC1 ZINC000055078798 522490361 /nfs/dbraw/zinc/49/03/61/522490361.db2.gz GAXZBPMXMXSNGR-JKSUJKDBSA-N 1 3 267.461 2.181 10 0 CEAEHO C[NH2+][C@H]1CCCc2nc(N3CCC[C@@H]3CN(C)C)sc21 ZINC000061655464 522498554 /nfs/dbraw/zinc/49/85/54/522498554.db2.gz UVHWOZCIMYMXCV-NEPJUHHUSA-N 1 3 294.468 2.270 10 0 CEAEHO COC[C@H](C)N(C)Cc1oc2ccccc2c1C[NH3+] ZINC000052511735 522595271 /nfs/dbraw/zinc/59/52/71/522595271.db2.gz CYLYETXIFZUJIK-NSHDSACASA-N 1 3 262.353 2.358 10 0 CEAEHO COCCN(CCC[NH2+]CC(C)C)[C@@H](C)C1CC1 ZINC000052545323 523694478 /nfs/dbraw/zinc/69/44/78/523694478.db2.gz ZBJGGDGMOAAGED-AWEZNQCLSA-N 1 3 256.434 2.369 10 0 CEAEHO COCCN(CCOC)Cc1cccc(C[NH2+]C(C)C)c1 ZINC000052571381 523718374 /nfs/dbraw/zinc/71/83/74/523718374.db2.gz LNBIZBNVAYLSJH-UHFFFAOYSA-N 1 3 294.439 2.279 10 0 CEAEHO CC[C@H](C)N1CCN(C2(C[NH3+])CCCCCC2)CC1 ZINC000055064751 523952445 /nfs/dbraw/zinc/95/24/45/523952445.db2.gz WTBJXVDQBRGDKS-HNNXBMFYSA-N 1 3 267.461 2.454 10 0 CEAEHO CCc1ccc([C@H](C[NH3+])N2CCN([C@@H](C)CC)CC2)o1 ZINC000055064342 524048044 /nfs/dbraw/zinc/04/80/44/524048044.db2.gz YFAGYFKYJUKQLV-ZFWWWQNUSA-N 1 3 279.428 2.258 10 0 CEAEHO COc1ccc([C@H](N)[C@@H](C)[N@H+](C)C2CCN(C)CC2)cc1 ZINC000052684853 525363671 /nfs/dbraw/zinc/36/36/71/525363671.db2.gz KZIQVHNPNHNGDK-CXAGYDPISA-N 1 3 291.439 2.110 10 0 CEAEHO COc1ccc([C@H](N)[C@@H](C)[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000052684853 525363677 /nfs/dbraw/zinc/36/36/77/525363677.db2.gz KZIQVHNPNHNGDK-CXAGYDPISA-N 1 3 291.439 2.110 10 0 CEAEHO C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1ccc2c(c1)NC(=O)CO2 ZINC000049553681 525595302 /nfs/dbraw/zinc/59/53/02/525595302.db2.gz UKKJRTPWPIPLEA-NWDGAFQWSA-N 1 3 291.395 2.008 10 0 CEAEHO C[NH2+]Cc1cc(F)ccc1N1CCN2CCCC[C@@H]2C1 ZINC000094439985 536468990 /nfs/dbraw/zinc/46/89/90/536468990.db2.gz RGVKPLUMHLIHAB-OAHLLOKOSA-N 1 3 277.387 2.220 10 0 CEAEHO Cc1oc(CN2CCC[C@H]2C[NH+](C)C)cc1CNC1CC1 ZINC000061654484 526770915 /nfs/dbraw/zinc/77/09/15/526770915.db2.gz RRHHDOKJPUTVAR-INIZCTEOSA-N 1 3 291.439 2.366 10 0 CEAEHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CCc1ccc(O)cc1 ZINC000054602345 527145228 /nfs/dbraw/zinc/14/52/28/527145228.db2.gz LOIARPZEQUCTJT-GOOCMWNKSA-N 1 3 260.381 2.279 10 0 CEAEHO [NH3+]C[C@H](CN(CCO)Cc1ccccc1)c1ccccc1 ZINC000050514207 527224903 /nfs/dbraw/zinc/22/49/03/527224903.db2.gz MBZQRZGAQQUGQR-GOSISDBHSA-N 1 3 284.403 2.223 10 0 CEAEHO NC[C@H](C[N@H+](CCO)Cc1ccccc1)c1ccccc1 ZINC000050514207 527224906 /nfs/dbraw/zinc/22/49/06/527224906.db2.gz MBZQRZGAQQUGQR-GOSISDBHSA-N 1 3 284.403 2.223 10 0 CEAEHO NC[C@H](C[N@@H+](CCO)Cc1ccccc1)c1ccccc1 ZINC000050514207 527224910 /nfs/dbraw/zinc/22/49/10/527224910.db2.gz MBZQRZGAQQUGQR-GOSISDBHSA-N 1 3 284.403 2.223 10 0 CEAEHO [NH3+]Cc1ccnc(O[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000061702137 527262731 /nfs/dbraw/zinc/26/27/31/527262731.db2.gz VBKLMPPGRAPACZ-MRXNPFEDSA-N 1 3 283.375 2.194 10 0 CEAEHO [NH3+][C@@H]1CCc2c1cccc2OCCN1CCCCC1 ZINC000062798439 527372467 /nfs/dbraw/zinc/37/24/67/527372467.db2.gz PWIDXLWZYOVMRQ-OAHLLOKOSA-N 1 3 260.381 2.497 10 0 CEAEHO COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[C@H]1CN ZINC000250985817 625086037 /nfs/dbraw/zinc/08/60/37/625086037.db2.gz KHASVMKFFSMLRL-AEGPPILISA-N 1 3 262.397 2.343 10 0 CEAEHO C[N@H+](CCCNC(=O)[C@@]1(C)CCCCN1)C1CCCCC1 ZINC000136199854 344384034 /nfs/dbraw/zinc/38/40/34/344384034.db2.gz VSQWPUBXFMFZKO-QGZVFWFLSA-N 1 3 295.471 2.289 10 0 CEAEHO C[N@@H+](CCCNC(=O)[C@@]1(C)CCCCN1)C1CCCCC1 ZINC000136199854 344384036 /nfs/dbraw/zinc/38/40/36/344384036.db2.gz VSQWPUBXFMFZKO-QGZVFWFLSA-N 1 3 295.471 2.289 10 0 CEAEHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCC[C@@H](O)C1 ZINC000224240025 539408405 /nfs/dbraw/zinc/40/84/05/539408405.db2.gz UWTPUWTWEDSHBP-LXTVHRRPSA-N 1 3 254.418 2.190 10 0 CEAEHO CC[NH2+][C@@H](CO)CCN1CCC2(CCCC2)CC1 ZINC000085212685 178975943 /nfs/dbraw/zinc/97/59/43/178975943.db2.gz KBSUBONEVFROEY-CQSZACIVSA-N 1 3 254.418 2.003 10 0 CEAEHO CCN[C@@H](CO)CC[NH+]1CCC2(CCCC2)CC1 ZINC000085212685 178975944 /nfs/dbraw/zinc/97/59/44/178975944.db2.gz KBSUBONEVFROEY-CQSZACIVSA-N 1 3 254.418 2.003 10 0 CEAEHO CC[C@@H]1CNC(CC)(CC)C[N@@H+]1CCn1ccnc1C ZINC000085517301 179087550 /nfs/dbraw/zinc/08/75/50/179087550.db2.gz YZVFKGHREXHDTN-OAHLLOKOSA-N 1 3 278.444 2.434 10 0 CEAEHO CC[C@@H]1CNC(CC)(CC)C[N@H+]1CCn1ccnc1C ZINC000085517301 179087552 /nfs/dbraw/zinc/08/75/52/179087552.db2.gz YZVFKGHREXHDTN-OAHLLOKOSA-N 1 3 278.444 2.434 10 0 CEAEHO COCCCN1C[C@H](Cc2ccccc2)[NH2+]CC[C@@H]1C ZINC000085618759 179103860 /nfs/dbraw/zinc/10/38/60/179103860.db2.gz VPPGOTOLGVRJHN-RDJZCZTQSA-N 1 3 276.424 2.318 10 0 CEAEHO C[C@@H]1CC[NH2+]C2(CCCC2)CN1C[C@@H]1CCCO1 ZINC000085623237 179105278 /nfs/dbraw/zinc/10/52/78/179105278.db2.gz CWACPWVOOMSQJW-KGLIPLIRSA-N 1 3 252.402 2.162 10 0 CEAEHO C[C@@H]1CCNC2(CCCC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085623237 179105279 /nfs/dbraw/zinc/10/52/79/179105279.db2.gz CWACPWVOOMSQJW-KGLIPLIRSA-N 1 3 252.402 2.162 10 0 CEAEHO C[C@@H]1CCNC2(CCCC2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085623237 179105280 /nfs/dbraw/zinc/10/52/80/179105280.db2.gz CWACPWVOOMSQJW-KGLIPLIRSA-N 1 3 252.402 2.162 10 0 CEAEHO COCCOCC[N@@H+]1CC2(CCCCC2)NCC[C@@H]1C ZINC000085621082 179105487 /nfs/dbraw/zinc/10/54/87/179105487.db2.gz YBOMFIRHFHUUBL-HNNXBMFYSA-N 1 3 284.444 2.036 10 0 CEAEHO COCCOCC[N@H+]1CC2(CCCCC2)NCC[C@@H]1C ZINC000085621082 179105488 /nfs/dbraw/zinc/10/54/88/179105488.db2.gz YBOMFIRHFHUUBL-HNNXBMFYSA-N 1 3 284.444 2.036 10 0 CEAEHO C[C@H]1CCNC2(CCCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085621150 179105653 /nfs/dbraw/zinc/10/56/53/179105653.db2.gz LTNPMOWCLMKRGI-GJZGRUSLSA-N 1 3 266.429 2.410 10 0 CEAEHO C[C@H]1CCNC2(CCCCC2)C[N@H+]1C[C@@H]1CCOC1 ZINC000085621150 179105655 /nfs/dbraw/zinc/10/56/55/179105655.db2.gz LTNPMOWCLMKRGI-GJZGRUSLSA-N 1 3 266.429 2.410 10 0 CEAEHO CN1CCCC[C@@H]1CC[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085986001 179211724 /nfs/dbraw/zinc/21/17/24/179211724.db2.gz PJJHFVZIKHLDTE-ZNMIVQPWSA-N 1 3 254.418 2.002 10 0 CEAEHO CC[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182538 179247527 /nfs/dbraw/zinc/24/75/27/179247527.db2.gz DHIDTUDNBXPRNN-XHSDSOJGSA-N 1 3 279.472 2.179 10 0 CEAEHO CC[C@H]1CN[C@H](C(C)(C)C)C[N@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182538 179247528 /nfs/dbraw/zinc/24/75/28/179247528.db2.gz DHIDTUDNBXPRNN-XHSDSOJGSA-N 1 3 279.472 2.179 10 0 CEAEHO C[C@H]1C[NH2+][C@@H](C2CCCCC2)CN1C1CCN(C)CC1 ZINC000086217826 179249247 /nfs/dbraw/zinc/24/92/47/179249247.db2.gz JORVJRSHZZPYHD-WMLDXEAASA-N 1 3 279.472 2.323 10 0 CEAEHO C[C@H]1CN[C@@H](C2CCCCC2)C[N@@H+]1C1CCN(C)CC1 ZINC000086217826 179249248 /nfs/dbraw/zinc/24/92/48/179249248.db2.gz JORVJRSHZZPYHD-WMLDXEAASA-N 1 3 279.472 2.323 10 0 CEAEHO C[C@H]1CN[C@@H](C2CCCCC2)C[N@H+]1C1CCN(C)CC1 ZINC000086217826 179249251 /nfs/dbraw/zinc/24/92/51/179249251.db2.gz JORVJRSHZZPYHD-WMLDXEAASA-N 1 3 279.472 2.323 10 0 CEAEHO CC(C)[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259592 179258044 /nfs/dbraw/zinc/25/80/44/179258044.db2.gz RPFHVPVYSOYITE-KZNAEPCWSA-N 1 3 291.483 2.322 10 0 CEAEHO CC(C)[C@H]1CN[C@@](C)(C2CC2)C[N@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259592 179258045 /nfs/dbraw/zinc/25/80/45/179258045.db2.gz RPFHVPVYSOYITE-KZNAEPCWSA-N 1 3 291.483 2.322 10 0 CEAEHO CC(C)[C@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259592 179258047 /nfs/dbraw/zinc/25/80/47/179258047.db2.gz RPFHVPVYSOYITE-KZNAEPCWSA-N 1 3 291.483 2.322 10 0 CEAEHO CCC1(CC)CN(C[C@@H]2CCCCN2C)[C@@H](C)C[NH2+]1 ZINC000086259344 179258569 /nfs/dbraw/zinc/25/85/69/179258569.db2.gz STQLFHORAOGPCK-GJZGRUSLSA-N 1 3 267.461 2.323 10 0 CEAEHO C([C@@H]1CCCOC1)[N@@H+]1CCCNC2(CCCCC2)C1 ZINC000086292428 179266287 /nfs/dbraw/zinc/26/62/87/179266287.db2.gz KUVRICFOQKQOLR-HNNXBMFYSA-N 1 3 266.429 2.411 10 0 CEAEHO C([C@@H]1CCCOC1)[N@H+]1CCCNC2(CCCCC2)C1 ZINC000086292428 179266291 /nfs/dbraw/zinc/26/62/91/179266291.db2.gz KUVRICFOQKQOLR-HNNXBMFYSA-N 1 3 266.429 2.411 10 0 CEAEHO C([C@H]1CCCOC1)[N@@H+]1CCCNC2(CCCCC2)C1 ZINC000086292431 179266486 /nfs/dbraw/zinc/26/64/86/179266486.db2.gz KUVRICFOQKQOLR-OAHLLOKOSA-N 1 3 266.429 2.411 10 0 CEAEHO C([C@H]1CCCOC1)[N@H+]1CCCNC2(CCCCC2)C1 ZINC000086292431 179266487 /nfs/dbraw/zinc/26/64/87/179266487.db2.gz KUVRICFOQKQOLR-OAHLLOKOSA-N 1 3 266.429 2.411 10 0 CEAEHO CCCCN1CCC([NH2+][C@H]2CCCN(C)CC2)CC1 ZINC000086818530 179347288 /nfs/dbraw/zinc/34/72/88/179347288.db2.gz GWQPRJXJYSWGOE-HNNXBMFYSA-N 1 3 267.461 2.325 10 0 CEAEHO C[N@@H+]1CCC[C@@H](NC[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000086817248 179344563 /nfs/dbraw/zinc/34/45/63/179344563.db2.gz XIIMMWXYRPHOFP-CVEARBPZSA-N 1 3 291.439 2.490 10 0 CEAEHO C[N@H+]1CCC[C@@H](NC[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000086817248 179344564 /nfs/dbraw/zinc/34/45/64/179344564.db2.gz XIIMMWXYRPHOFP-CVEARBPZSA-N 1 3 291.439 2.490 10 0 CEAEHO CN1CCC[C@@H]([NH2+]C[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000086817248 179344567 /nfs/dbraw/zinc/34/45/67/179344567.db2.gz XIIMMWXYRPHOFP-CVEARBPZSA-N 1 3 291.439 2.490 10 0 CEAEHO CCN1CCC[C@@](CN)([N@H+](C)CC(C)(C)C)CC1 ZINC000086848256 179356371 /nfs/dbraw/zinc/35/63/71/179356371.db2.gz BJYFLOCROUVZDN-OAHLLOKOSA-N 1 3 255.450 2.168 10 0 CEAEHO CCN1CCC[C@@](CN)([N@@H+](C)CC(C)(C)C)CC1 ZINC000086848256 179356372 /nfs/dbraw/zinc/35/63/72/179356372.db2.gz BJYFLOCROUVZDN-OAHLLOKOSA-N 1 3 255.450 2.168 10 0 CEAEHO CC(C)N1CCC[C@@H]([NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000086836985 179352143 /nfs/dbraw/zinc/35/21/43/179352143.db2.gz AEXAANOFRNLABO-ZNMIVQPWSA-N 1 3 254.418 2.406 10 0 CEAEHO CC(C)[N@@H+]1CCC[C@@H](N[C@@H](C)[C@@H]2CCCO2)CC1 ZINC000086836985 179352145 /nfs/dbraw/zinc/35/21/45/179352145.db2.gz AEXAANOFRNLABO-ZNMIVQPWSA-N 1 3 254.418 2.406 10 0 CEAEHO CC(C)[N@H+]1CCC[C@@H](N[C@@H](C)[C@@H]2CCCO2)CC1 ZINC000086836985 179352146 /nfs/dbraw/zinc/35/21/46/179352146.db2.gz AEXAANOFRNLABO-ZNMIVQPWSA-N 1 3 254.418 2.406 10 0 CEAEHO CCCN1CCC[C@@H]([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000086842135 179353012 /nfs/dbraw/zinc/35/30/12/179353012.db2.gz QWLVRVITSXBJJS-LSDHHAIUSA-N 1 3 254.418 2.267 10 0 CEAEHO CCCC[N@H+](CC)[C@]1(CN)CCCN(CC)CC1 ZINC000086846570 179355492 /nfs/dbraw/zinc/35/54/92/179355492.db2.gz PWFVQTAWASOJSV-OAHLLOKOSA-N 1 3 255.450 2.312 10 0 CEAEHO CCCC[N@@H+](CC)[C@]1(CN)CCCN(CC)CC1 ZINC000086846570 179355494 /nfs/dbraw/zinc/35/54/94/179355494.db2.gz PWFVQTAWASOJSV-OAHLLOKOSA-N 1 3 255.450 2.312 10 0 CEAEHO CCN1CCC(N(C)C(=O)[C@@H](C)CCC[C@@H](C)[NH3+])CC1 ZINC000087684980 179470302 /nfs/dbraw/zinc/47/03/02/179470302.db2.gz HOHYUGGHULQJTF-UONOGXRCSA-N 1 3 283.460 2.083 10 0 CEAEHO C[C@@H](NCCSc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400428561 233178439 /nfs/dbraw/zinc/17/84/39/233178439.db2.gz ZKEDVGWASCYYTK-CHWSQXEVSA-N 1 3 250.411 2.366 10 0 CEAEHO CCCN[C@H]1COC[C@H]1C[NH+]1CCc2ccccc2CC1 ZINC000090567117 180006980 /nfs/dbraw/zinc/00/69/80/180006980.db2.gz HWNPDSOPLSWZMX-MSOLQXFVSA-N 1 3 288.435 2.102 10 0 CEAEHO CCC[NH2+][C@H]1COC[C@H]1CN1CCc2ccccc2CC1 ZINC000090567117 180006982 /nfs/dbraw/zinc/00/69/82/180006982.db2.gz HWNPDSOPLSWZMX-MSOLQXFVSA-N 1 3 288.435 2.102 10 0 CEAEHO Cc1ccc2c(c1)C[C@H](CN1C[C@@H]3C[NH2+]C[C@@H]3C1(C)C)O2 ZINC000090900397 180059160 /nfs/dbraw/zinc/05/91/60/180059160.db2.gz ZFODSPVLCKPHTC-XHSDSOJGSA-N 1 3 286.419 2.228 10 0 CEAEHO C[N@@H+]1CC[C@@H](CNC[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000090903686 180059766 /nfs/dbraw/zinc/05/97/66/180059766.db2.gz NRIHCBQEPNRKOO-FZMZJTMJSA-N 1 3 280.799 2.185 10 0 CEAEHO C[N@H+]1CC[C@@H](CNC[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000090903686 180059767 /nfs/dbraw/zinc/05/97/67/180059767.db2.gz NRIHCBQEPNRKOO-FZMZJTMJSA-N 1 3 280.799 2.185 10 0 CEAEHO C[N@H+](CC[C@@H]1CSCCN1)Cc1ccc(F)cc1 ZINC000091292059 180123822 /nfs/dbraw/zinc/12/38/22/180123822.db2.gz IDQHXZFJSHRTST-CQSZACIVSA-N 1 3 268.401 2.353 10 0 CEAEHO C[N@@H+](CC[C@@H]1CSCCN1)Cc1ccc(F)cc1 ZINC000091292059 180123824 /nfs/dbraw/zinc/12/38/24/180123824.db2.gz IDQHXZFJSHRTST-CQSZACIVSA-N 1 3 268.401 2.353 10 0 CEAEHO C[N@@H+]1CCC[C@H]1CCOc1cncc(CNC(C)(C)C)n1 ZINC000091434604 180154419 /nfs/dbraw/zinc/15/44/19/180154419.db2.gz HVONQZNHHDEMDA-AWEZNQCLSA-N 1 3 292.427 2.228 10 0 CEAEHO C[N@H+]1CCC[C@H]1CCOc1cncc(CNC(C)(C)C)n1 ZINC000091434604 180154420 /nfs/dbraw/zinc/15/44/20/180154420.db2.gz HVONQZNHHDEMDA-AWEZNQCLSA-N 1 3 292.427 2.228 10 0 CEAEHO CN(C)[C@H]1CCC[N@@H+]([C@@]2(CN)CCCC(C)(C)C2)C1 ZINC000091395452 180146240 /nfs/dbraw/zinc/14/62/40/180146240.db2.gz OYUHEAQHLAJFHF-HOCLYGCPSA-N 1 3 267.461 2.310 10 0 CEAEHO CN(C)[C@H]1CCC[N@H+]([C@@]2(CN)CCCC(C)(C)C2)C1 ZINC000091395452 180146242 /nfs/dbraw/zinc/14/62/42/180146242.db2.gz OYUHEAQHLAJFHF-HOCLYGCPSA-N 1 3 267.461 2.310 10 0 CEAEHO C[C@@H]1CCC[C@](CN)([N@@H+]2CCC[C@H](N(C)C)C2)CC1 ZINC000091394943 180146382 /nfs/dbraw/zinc/14/63/82/180146382.db2.gz DEAZAYBPLUPANL-PMPSAXMXSA-N 1 3 267.461 2.310 10 0 CEAEHO C[C@@H]1CCC[C@](CN)([N@H+]2CCC[C@H](N(C)C)C2)CC1 ZINC000091394943 180146385 /nfs/dbraw/zinc/14/63/85/180146385.db2.gz DEAZAYBPLUPANL-PMPSAXMXSA-N 1 3 267.461 2.310 10 0 CEAEHO CCC[NH2+][C@@H](C)C(C)(C)CN(C)CC1CC(O)C1 ZINC000091405566 180147136 /nfs/dbraw/zinc/14/71/36/180147136.db2.gz HNNPGDFRHLAWII-HSBZDZAISA-N 1 3 256.434 2.103 10 0 CEAEHO CCC[NH2+][C@@H](C)C(C)(C)CN1CCN(C)C(C)(C)C1 ZINC000091405122 180147280 /nfs/dbraw/zinc/14/72/80/180147280.db2.gz XRYFYIPTMIHTTM-AWEZNQCLSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@](C)([C@@H](Cc1ccccn1)NC)[NH+]1CCCC1 ZINC000091606059 180203796 /nfs/dbraw/zinc/20/37/96/180203796.db2.gz LXNADALMEJNUMT-HZPDHXFCSA-N 1 3 261.413 2.477 10 0 CEAEHO CCn1cc(C[C@H]([NH3+])[C@@](C)(CC)N2CCCC2)cn1 ZINC000091605038 180203805 /nfs/dbraw/zinc/20/38/05/180203805.db2.gz CZDYLQNQVZCHMR-LSDHHAIUSA-N 1 3 264.417 2.037 10 0 CEAEHO CN[C@H](Cc1ccnc(N)c1)C1([NH+]2CCCC2)CCCC1 ZINC000091640863 180213464 /nfs/dbraw/zinc/21/34/64/180213464.db2.gz JYYRGBNRGWDLEI-OAHLLOKOSA-N 1 3 288.439 2.203 10 0 CEAEHO CC[C@H](C)n1ccc(C[C@@H]([NH3+])CCN(CC)CC)n1 ZINC000091715735 180232834 /nfs/dbraw/zinc/23/28/34/180232834.db2.gz UUQMKSAIEAAAIF-KBPBESRZSA-N 1 3 266.433 2.456 10 0 CEAEHO CCN(CC)CC[C@H]([NH3+])Cc1ccn(C(C)C)n1 ZINC000091715906 180232901 /nfs/dbraw/zinc/23/29/01/180232901.db2.gz LCRYFWWEUAYDBC-ZDUSSCGKSA-N 1 3 252.406 2.066 10 0 CEAEHO CN(Cc1nn(C)c2ccccc12)C1CCC([NH3+])CC1 ZINC000091847845 180271333 /nfs/dbraw/zinc/27/13/33/180271333.db2.gz DSHBPZXKQOMBKJ-UHFFFAOYSA-N 1 3 272.396 2.275 10 0 CEAEHO C[N@@H+]1CC[C@@H](CNC[C@@H]2Cc3ccccc3S2)C1 ZINC000092242702 180351704 /nfs/dbraw/zinc/35/17/04/180351704.db2.gz UILYTKXQPMISLR-JSGCOSHPSA-N 1 3 262.422 2.245 10 0 CEAEHO C[N@H+]1CC[C@@H](CNC[C@@H]2Cc3ccccc3S2)C1 ZINC000092242702 180351705 /nfs/dbraw/zinc/35/17/05/180351705.db2.gz UILYTKXQPMISLR-JSGCOSHPSA-N 1 3 262.422 2.245 10 0 CEAEHO C[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc3S2)CCCN1 ZINC000092273072 180356303 /nfs/dbraw/zinc/35/63/03/180356303.db2.gz MJNMQTLIMPFZTE-OCCSQVGLSA-N 1 3 262.422 2.387 10 0 CEAEHO C[C@@H]1C[N@@H+](C[C@@H]2Cc3ccccc3S2)CCCN1 ZINC000092273072 180356304 /nfs/dbraw/zinc/35/63/04/180356304.db2.gz MJNMQTLIMPFZTE-OCCSQVGLSA-N 1 3 262.422 2.387 10 0 CEAEHO CCC[NH2+]C[C@H](C)Cc1c(C)nn(CCN(C)C)c1C ZINC000092323012 180362528 /nfs/dbraw/zinc/36/25/28/180362528.db2.gz DODGGIJSAZKLJE-CYBMUJFWSA-N 1 3 280.460 2.240 10 0 CEAEHO Cc1nn(CCN(C)C)c(C)c1C[C@H](C)C[NH2+]C(C)C ZINC000092322993 180362544 /nfs/dbraw/zinc/36/25/44/180362544.db2.gz BDDVPUJZMISSQH-ZDUSSCGKSA-N 1 3 280.460 2.238 10 0 CEAEHO Cc1nn(CCN(C)C)c(C)c1[C@@H](C)C[NH2+]C(C)C ZINC000092322977 180362552 /nfs/dbraw/zinc/36/25/52/180362552.db2.gz UITAECKIANZETQ-LBPRGKRZSA-N 1 3 266.433 2.163 10 0 CEAEHO CCNc1ccnc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000092419107 180382361 /nfs/dbraw/zinc/38/23/61/180382361.db2.gz LCLLWUGSXPBKDW-MRXNPFEDSA-N 1 3 274.412 2.184 10 0 CEAEHO CCNc1ccnc(CN2CCC[N@H+]3CCC[C@@H]3C2)c1 ZINC000092419107 180382362 /nfs/dbraw/zinc/38/23/62/180382362.db2.gz LCLLWUGSXPBKDW-MRXNPFEDSA-N 1 3 274.412 2.184 10 0 CEAEHO CCNc1ccnc(CN(C)CC[NH+]2CCCC2)c1 ZINC000092419163 180382641 /nfs/dbraw/zinc/38/26/41/180382641.db2.gz DCGCMSPGPKSGHB-UHFFFAOYSA-N 1 3 262.401 2.041 10 0 CEAEHO CCN1CCN([C@@H](C[NH3+])c2cccc(Cl)c2)C[C@@H]1C ZINC000107899656 186196408 /nfs/dbraw/zinc/19/64/08/186196408.db2.gz JPNNFTFBRMCFSI-WFASDCNBSA-N 1 3 281.831 2.366 10 0 CEAEHO CCN(CC)CCc1noc([C@H](C(C)C)[C@H](C)[NH2+]C)n1 ZINC000109496316 186256444 /nfs/dbraw/zinc/25/64/44/186256444.db2.gz NAVIUJNMXOSSIJ-GXTWGEPZSA-N 1 3 282.432 2.301 10 0 CEAEHO [NH2+]=C(NC1CCCCC1)N1CC[C@H](N2CCCC2)C1 ZINC000110368908 186294889 /nfs/dbraw/zinc/29/48/89/186294889.db2.gz YUWHQSAEYPVSID-AWEZNQCLSA-N 1 3 264.417 2.014 10 0 CEAEHO CCN1CCN([C@@H]2CCc3ccccc3[C@@H]2[NH2+]C)C[C@@H]1C ZINC000110714772 186316058 /nfs/dbraw/zinc/31/60/58/186316058.db2.gz WMIQHYRPPWGGRK-QGTPRVQTSA-N 1 3 287.451 2.288 10 0 CEAEHO Cc1ccccc1[C@@H]([NH3+])CN1CCN(C)C(C)(C)C1 ZINC000110716379 186316194 /nfs/dbraw/zinc/31/61/94/186316194.db2.gz BOVAXKFFGRXFIL-HNNXBMFYSA-N 1 3 261.413 2.021 10 0 CEAEHO CC[C@@H]1CN(CC(C)(C)C[NH2+]C(C)C)CCN1C ZINC000110746624 186319558 /nfs/dbraw/zinc/31/95/58/186319558.db2.gz NHIPKCVYWSBELY-CQSZACIVSA-N 1 3 255.450 2.037 10 0 CEAEHO C[NH2+]Cc1oc2ccccc2c1CN1CCN(C)[C@@H](C)C1 ZINC000110751639 186320634 /nfs/dbraw/zinc/32/06/34/186320634.db2.gz BCHGCNJXLHYCCN-ZDUSSCGKSA-N 1 3 287.407 2.288 10 0 CEAEHO CC(C)CN(CCN(C)C)[C@@H](C[NH3+])c1cccc(F)c1F ZINC000111039790 186347197 /nfs/dbraw/zinc/34/71/97/186347197.db2.gz XHTHQIIOQUUGSP-HNNXBMFYSA-N 1 3 299.409 2.484 10 0 CEAEHO CCOCC[N@H+](CC)C[C@](C)(CN)c1ccccc1 ZINC000111123054 186354951 /nfs/dbraw/zinc/35/49/51/186354951.db2.gz AIEDKHWIKAFCMU-INIZCTEOSA-N 1 3 264.413 2.261 10 0 CEAEHO CCOCC[N@@H+](CC)C[C@](C)(CN)c1ccccc1 ZINC000111123054 186354953 /nfs/dbraw/zinc/35/49/53/186354953.db2.gz AIEDKHWIKAFCMU-INIZCTEOSA-N 1 3 264.413 2.261 10 0 CEAEHO C[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N(C)CCN(C)C ZINC000111130119 186356114 /nfs/dbraw/zinc/35/61/14/186356114.db2.gz MQIFITJKQQJXNT-CABZTGNLSA-N 1 3 275.849 2.283 10 0 CEAEHO CC[C@@H]([NH3+])[C@H](c1ccc(C)cc1)N(C)CCN(C)C ZINC000111129609 186356117 /nfs/dbraw/zinc/35/61/17/186356117.db2.gz JTXPMJCBIQGUCU-CVEARBPZSA-N 1 3 263.429 2.267 10 0 CEAEHO CN(C)CCN(C)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000111132397 186356369 /nfs/dbraw/zinc/35/63/69/186356369.db2.gz WEIUPKXGQAOUID-ZDUSSCGKSA-N 1 3 290.238 2.487 10 0 CEAEHO CCCOc1cccc([C@@H](CN)N(C)CCC[NH+](C)C)c1 ZINC000111133814 186356789 /nfs/dbraw/zinc/35/67/89/186356789.db2.gz NLPXRPITDNCXRX-QGZVFWFLSA-N 1 3 293.455 2.359 10 0 CEAEHO CCC[NH2+]Cc1cc(F)ccc1N(C)CCN(C)C ZINC000111140474 186357205 /nfs/dbraw/zinc/35/72/05/186357205.db2.gz WUSXTNXTWANFMB-UHFFFAOYSA-N 1 3 267.392 2.323 10 0 CEAEHO CC[NH2+][C@H](CN(C)CCN(C)C)c1ccc(CC)cc1 ZINC000111134968 186357512 /nfs/dbraw/zinc/35/75/12/186357512.db2.gz NYVMTCUIOJRIKH-QGZVFWFLSA-N 1 3 277.456 2.393 10 0 CEAEHO C[NH2+][C@@H](CN(C)CCN(C)C)c1ccc(OC(C)C)cc1 ZINC000111135143 186357707 /nfs/dbraw/zinc/35/77/07/186357707.db2.gz DFUALDRWFNJKBC-KRWDZBQOSA-N 1 3 293.455 2.228 10 0 CEAEHO CN(CCC[NH+](C)C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O ZINC000111143657 186359224 /nfs/dbraw/zinc/35/92/24/186359224.db2.gz WELBKPYVIRMJOX-ZNMIVQPWSA-N 1 3 270.461 2.446 10 0 CEAEHO CCC[NH2+]CC1(CN(C)CC2CCOCC2)CCOCC1 ZINC000111172817 186365543 /nfs/dbraw/zinc/36/55/43/186365543.db2.gz JOYZBKJFLIAIRJ-UHFFFAOYSA-N 1 3 298.471 2.141 10 0 CEAEHO CCCNCC1(C[N@H+](C)CC2CCOCC2)CCOCC1 ZINC000111172817 186365545 /nfs/dbraw/zinc/36/55/45/186365545.db2.gz JOYZBKJFLIAIRJ-UHFFFAOYSA-N 1 3 298.471 2.141 10 0 CEAEHO CCCNCC1(C[N@@H+](C)CC2CCOCC2)CCOCC1 ZINC000111172817 186365547 /nfs/dbraw/zinc/36/55/47/186365547.db2.gz JOYZBKJFLIAIRJ-UHFFFAOYSA-N 1 3 298.471 2.141 10 0 CEAEHO CCC[N@H+](C[C@]1(CNC2CC2)CCCOC1)C1CC1 ZINC000111324933 186398168 /nfs/dbraw/zinc/39/81/68/186398168.db2.gz XDCFJVVQHFCSFA-MRXNPFEDSA-N 1 3 266.429 2.410 10 0 CEAEHO CCC[N@@H+](C[C@]1(CNC2CC2)CCCOC1)C1CC1 ZINC000111324933 186398170 /nfs/dbraw/zinc/39/81/70/186398170.db2.gz XDCFJVVQHFCSFA-MRXNPFEDSA-N 1 3 266.429 2.410 10 0 CEAEHO CCCN(C[C@]1(C[NH2+]C2CC2)CCCOC1)C1CC1 ZINC000111324933 186398171 /nfs/dbraw/zinc/39/81/71/186398171.db2.gz XDCFJVVQHFCSFA-MRXNPFEDSA-N 1 3 266.429 2.410 10 0 CEAEHO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(CN2CCCC2)c1 ZINC000111265521 186381606 /nfs/dbraw/zinc/38/16/06/186381606.db2.gz TULZZAQDOMDQAY-BBRMVZONSA-N 1 3 287.407 2.076 10 0 CEAEHO C[C@@H]1CN2CCCC[C@H]2CN1CCCC1CC[NH2+]CC1 ZINC000251894208 539993706 /nfs/dbraw/zinc/99/37/06/539993706.db2.gz VUXXLYGTRUPVBC-WBVHZDCISA-N 1 3 279.472 2.325 10 0 CEAEHO CCC[N@H+](CC)C[C@H](O)c1ccc2c(c1)CNCC2 ZINC000675059217 540079266 /nfs/dbraw/zinc/07/92/66/540079266.db2.gz MEKLRAFCKAIIHF-INIZCTEOSA-N 1 3 262.397 2.098 10 0 CEAEHO CCC[N@@H+](CC)C[C@H](O)c1ccc2c(c1)CNCC2 ZINC000675059217 540079269 /nfs/dbraw/zinc/07/92/69/540079269.db2.gz MEKLRAFCKAIIHF-INIZCTEOSA-N 1 3 262.397 2.098 10 0 CEAEHO C[C@@H](NCCc1cc(F)cc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000570918458 299285339 /nfs/dbraw/zinc/28/53/39/299285339.db2.gz LVXKSLDHMQMZJQ-YPMHNXCESA-N 1 3 268.351 2.485 10 0 CEAEHO C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)[C@H]1CCCNC1 ZINC000570918458 299285342 /nfs/dbraw/zinc/28/53/42/299285342.db2.gz LVXKSLDHMQMZJQ-YPMHNXCESA-N 1 3 268.351 2.485 10 0 CEAEHO C[C@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)CN1CCCC1 ZINC000085638271 363835704 /nfs/dbraw/zinc/83/57/04/363835704.db2.gz NEELHVFIBRPXRD-QPSCCSFWSA-N 1 3 266.429 2.121 10 0 CEAEHO CCN1CC[C@H]([NH2+]C[C@H]2CCCN2CC(C)C)[C@H](C)C1 ZINC000090773200 364064333 /nfs/dbraw/zinc/06/43/33/364064333.db2.gz ZOURISGOAMDNJI-ZACQAIPSSA-N 1 3 281.488 2.427 10 0 CEAEHO C[NH+](C)C[C@H]1CN(c2ccnc3ccccc32)CCO1 ZINC000110586218 364722333 /nfs/dbraw/zinc/72/23/33/364722333.db2.gz HMUXNUPRYWFOMP-ZDUSSCGKSA-N 1 3 271.364 2.002 10 0 CEAEHO Cc1cc(NCCCNCc2cccnc2)cc[nH+]1 ZINC000162878172 367199689 /nfs/dbraw/zinc/19/96/89/367199689.db2.gz FXFRKTCIVMILOV-UHFFFAOYSA-N 1 3 256.353 2.377 10 0 CEAEHO C[C@H]1CN(Cc2ccc(OC(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631840688 367580877 /nfs/dbraw/zinc/58/08/77/367580877.db2.gz DTMNUPMAEDPCBM-JQWIXIFHSA-N 1 3 270.323 2.315 10 0 CEAEHO CC(C)CN1CCC[C@@H]1C[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000181655733 368479971 /nfs/dbraw/zinc/47/99/71/368479971.db2.gz ZRAXFRVIMSXOKE-HRCADAONSA-N 1 3 267.461 2.179 10 0 CEAEHO Cc1cnn(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000236009611 370582208 /nfs/dbraw/zinc/58/22/08/370582208.db2.gz QJNRDQBZCSBOOG-HRCADAONSA-N 1 3 276.428 2.092 10 0 CEAEHO CCOc1cccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261581492 371661192 /nfs/dbraw/zinc/66/11/92/371661192.db2.gz GESGXVNZQWBSCS-CWRNSKLLSA-N 1 3 260.381 2.254 10 0 CEAEHO c1ccc(C[NH2+]C[C@@H]2CCCN3CCCC[C@@H]23)nc1 ZINC000255994444 190000175 /nfs/dbraw/zinc/00/01/75/190000175.db2.gz PIZJBJGCANMPDH-HOCLYGCPSA-N 1 3 259.397 2.436 10 0 CEAEHO C1CCC2(C1)[C@H]([NH2+][C@@H]1CCCNCC1)[C@@H]1CCO[C@@H]12 ZINC000423021594 376937161 /nfs/dbraw/zinc/93/71/61/376937161.db2.gz CLIQTDUMWUUKPR-BARDWOONSA-N 1 3 264.413 2.066 10 0 CEAEHO [NH3+][C@@H]1CCC[C@@H](CN2CCN(c3ccccc3F)CC2)C1 ZINC000070578478 134952717 /nfs/dbraw/zinc/95/27/17/134952717.db2.gz BZBVEAHPJKGYOK-HUUCEWRRSA-N 1 3 291.414 2.465 10 0 CEAEHO C[NH+](C)[C@H]1CCCN(c2ccccc2CNC2CC2)C1 ZINC000091394565 135068995 /nfs/dbraw/zinc/06/89/95/135068995.db2.gz QGJOKHADIJWDSK-INIZCTEOSA-N 1 3 273.424 2.469 10 0 CEAEHO CN(C[C@H]1CCC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000261532345 394601697 /nfs/dbraw/zinc/60/16/97/394601697.db2.gz AGXLLQHNNQSFJH-ROUUACIJSA-N 1 3 287.451 2.192 10 0 CEAEHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(CN(C)C)cc1 ZINC000384436397 395193886 /nfs/dbraw/zinc/19/38/86/395193886.db2.gz XGQGTLRLNDYNKD-DOMZBBRYSA-N 1 3 275.396 2.075 10 0 CEAEHO CCC1(C[NH2+][C@H](C)[C@@H]2CCCNC2)CCOCC1 ZINC000573436945 395608712 /nfs/dbraw/zinc/60/87/12/395608712.db2.gz PYRWIWVIGONCSP-ZIAGYGMSSA-N 1 3 254.418 2.171 10 0 CEAEHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000263206518 154036278 /nfs/dbraw/zinc/03/62/78/154036278.db2.gz JTRDUXJBYOTWIA-DMRZNYOFSA-N 1 3 294.826 2.146 10 0 CEAEHO CC1(c2ccccc2)CCC(NC[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263263053 154044932 /nfs/dbraw/zinc/04/49/32/154044932.db2.gz REXYOWYEQXLPJA-FQXVJMBOSA-N 1 3 288.435 2.057 10 0 CEAEHO CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CNC[C@H]2O)CC1 ZINC000263263053 154044934 /nfs/dbraw/zinc/04/49/34/154044934.db2.gz REXYOWYEQXLPJA-FQXVJMBOSA-N 1 3 288.435 2.057 10 0 CEAEHO C[C@@H]1C[C@H](NC[C@@H]2C[NH2+]C[C@@H]2O)C[C@@H](c2ccccc2)C1 ZINC000263314922 154054720 /nfs/dbraw/zinc/05/47/20/154054720.db2.gz ZIOGZXDSOPPPCL-HILJTLORSA-N 1 3 288.435 2.129 10 0 CEAEHO CCCN1CCN([C@H](C[NH3+])c2ccc(OCC)cc2)CC1 ZINC000020179717 171043970 /nfs/dbraw/zinc/04/39/70/171043970.db2.gz DAPXFOAHVAZWAO-QGZVFWFLSA-N 1 3 291.439 2.113 10 0 CEAEHO CN(CC(=O)Nc1cccc(C[NH3+])c1)C1CCCCC1 ZINC000022166097 171365914 /nfs/dbraw/zinc/36/59/14/171365914.db2.gz UQMNNOLUMHLNCG-UHFFFAOYSA-N 1 3 275.396 2.348 10 0 CEAEHO CC(=O)Nc1ccc(CN2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749287 174394031 /nfs/dbraw/zinc/39/40/31/174394031.db2.gz TYTCUYAGKKAVHM-VHRNVKJDSA-N 1 3 273.380 2.099 10 0 CEAEHO CCN(CC)[C@@H](CN[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043323926 175006579 /nfs/dbraw/zinc/00/65/79/175006579.db2.gz DRKVWFFCMZRCCB-IRXDYDNUSA-N 1 3 275.440 2.411 10 0 CEAEHO c1ccc([C@H](CN[C@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000043324495 175007066 /nfs/dbraw/zinc/00/70/66/175007066.db2.gz ZPEDGGOLPPUVNF-IRXDYDNUSA-N 1 3 273.424 2.165 10 0 CEAEHO Cc1ccc([C@@H]([C@H](C)[NH3+])N(CCN(C)C)CC(C)C)o1 ZINC000043365380 175026333 /nfs/dbraw/zinc/02/63/33/175026333.db2.gz VWVGTHFOXQAVSX-GOEBONIOSA-N 1 3 281.444 2.496 10 0 CEAEHO CCC[NH2+][C@@H]1CCCC[C@H]1N(C)C1CCN(C)CC1 ZINC000043815461 175112331 /nfs/dbraw/zinc/11/23/31/175112331.db2.gz OTWBFLYSHLSLPJ-HZPDHXFCSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[NH2+][C@@H](CN1CCN(C(C)(C)C)CC1)C(C)(C)C ZINC000043965573 175126936 /nfs/dbraw/zinc/12/69/36/175126936.db2.gz NHOBGWXYUHSXQU-AWEZNQCLSA-N 1 3 269.477 2.427 10 0 CEAEHO C[NH2+][C@H]1c2ccccc2C[C@@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965502 175127016 /nfs/dbraw/zinc/12/70/16/175127016.db2.gz ANCYSIYHICDSMD-IRXDYDNUSA-N 1 3 287.451 2.288 10 0 CEAEHO CCC[NH2+][C@@H]1CCC[C@@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965688 175127047 /nfs/dbraw/zinc/12/70/47/175127047.db2.gz YRBINQMFBIRAHH-CABCVRRESA-N 1 3 267.461 2.323 10 0 CEAEHO C[NH2+][C@H](c1ccccc1)[C@H](C)N1CCN(CC2CC2)CC1 ZINC000043967830 175129045 /nfs/dbraw/zinc/12/90/45/175129045.db2.gz RZNONTLIXXDCGW-YJBOKZPZSA-N 1 3 287.451 2.363 10 0 CEAEHO CC[NH2+][C@H](CN1CCN(CC2CC2)CC1)C(C)(C)C ZINC000043967924 175129112 /nfs/dbraw/zinc/12/91/12/175129112.db2.gz IBAXENSUNUWAQC-OAHLLOKOSA-N 1 3 267.461 2.038 10 0 CEAEHO C[NH2+][C@@H](c1ccccc1)[C@H](C)N1CCN(CC2CC2)CC1 ZINC000043967832 175129171 /nfs/dbraw/zinc/12/91/71/175129171.db2.gz RZNONTLIXXDCGW-MAUKXSAKSA-N 1 3 287.451 2.363 10 0 CEAEHO C[C@H](N[C@@H]1CCCC[C@@H]1C(F)(F)F)C1C[NH2+]C1 ZINC000566245584 298957783 /nfs/dbraw/zinc/95/77/83/298957783.db2.gz VRNKJWYFYQACNM-INTQDDNPSA-N 1 3 250.308 2.305 10 0 CEAEHO CCOC(=O)[C@H]1CCC[N@H+](C[C@@H](CN)c2ccccc2)C1 ZINC000070941102 176014753 /nfs/dbraw/zinc/01/47/53/176014753.db2.gz ISEDWODTYHSBCR-JKSUJKDBSA-N 1 3 290.407 2.004 10 0 CEAEHO CCOC(=O)[C@H]1CCC[N@@H+](C[C@@H](CN)c2ccccc2)C1 ZINC000070941102 176014755 /nfs/dbraw/zinc/01/47/55/176014755.db2.gz ISEDWODTYHSBCR-JKSUJKDBSA-N 1 3 290.407 2.004 10 0 CEAEHO c1ccc2c(c1)CCO[C@H]2CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000071090731 176031416 /nfs/dbraw/zinc/03/14/16/176031416.db2.gz NXFSQECFJVEKRN-KDOFPFPSSA-N 1 3 286.419 2.374 10 0 CEAEHO c1ccc2c(c1)CCO[C@H]2CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000071090731 176031418 /nfs/dbraw/zinc/03/14/18/176031418.db2.gz NXFSQECFJVEKRN-KDOFPFPSSA-N 1 3 286.419 2.374 10 0 CEAEHO c1ccc2c(c1)CCO[C@H]2C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000071090731 176031419 /nfs/dbraw/zinc/03/14/19/176031419.db2.gz NXFSQECFJVEKRN-KDOFPFPSSA-N 1 3 286.419 2.374 10 0 CEAEHO CC[C@@H]1CCC[C@@](CN)([N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC000071124940 176035478 /nfs/dbraw/zinc/03/54/78/176035478.db2.gz UVLLSRNCUIABGT-GDBMZVCRSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@@H]1CCC[C@@](CN)([N@H+]2CCN(C)C(C)(C)C2)C1 ZINC000071124940 176035479 /nfs/dbraw/zinc/03/54/79/176035479.db2.gz UVLLSRNCUIABGT-GDBMZVCRSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@@H]1CCC[C@@](C[NH3+])(N2CCN(C)C(C)(C)C2)C1 ZINC000071124940 176035481 /nfs/dbraw/zinc/03/54/81/176035481.db2.gz UVLLSRNCUIABGT-GDBMZVCRSA-N 1 3 267.461 2.310 10 0 CEAEHO CN1CC[C@@H](C[N@H+](C)Cc2ccc(Cl)cc2N)C1 ZINC000071187841 176061827 /nfs/dbraw/zinc/06/18/27/176061827.db2.gz DDBJUBGFVWGDTI-LLVKDONJSA-N 1 3 267.804 2.306 10 0 CEAEHO CN1CC[C@@H](C[N@@H+](C)Cc2ccc(Cl)cc2N)C1 ZINC000071187841 176061829 /nfs/dbraw/zinc/06/18/29/176061829.db2.gz DDBJUBGFVWGDTI-LLVKDONJSA-N 1 3 267.804 2.306 10 0 CEAEHO CC[C@@H](C)N1CCN(Cc2ccc(F)cc2C[NH3+])CC1 ZINC000071263631 176096925 /nfs/dbraw/zinc/09/69/25/176096925.db2.gz NRNWJCBJSFLXQX-CYBMUJFWSA-N 1 3 279.403 2.201 10 0 CEAEHO C[C@@H](COCc1ccccc1)N[C@H]1CCC[NH2+]CC1 ZINC000390569892 262220021 /nfs/dbraw/zinc/22/00/21/262220021.db2.gz BHNNANTXYYBERH-HOCLYGCPSA-N 1 3 262.397 2.323 10 0 CEAEHO C[C@H](CN[C@@H]1CCC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000390609537 262227011 /nfs/dbraw/zinc/22/70/11/262227011.db2.gz ZDWWJVAYJFOJAR-NVXWUHKLSA-N 1 3 275.440 2.239 10 0 CEAEHO CC(C)C[C@H](CN(C)C)[NH2+]C1CCN(C(C)C)CC1 ZINC000037166735 279133184 /nfs/dbraw/zinc/13/31/84/279133184.db2.gz UROVSZKAZOBYOV-MRXNPFEDSA-N 1 3 269.477 2.425 10 0 CEAEHO CCN1CCC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250239445 279322995 /nfs/dbraw/zinc/32/29/95/279322995.db2.gz HCXWHWKMMJJCEV-MWDXBVQZSA-N 1 3 279.472 2.371 10 0 CEAEHO CCC[C@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N(C)C ZINC000245508538 280246010 /nfs/dbraw/zinc/24/60/10/280246010.db2.gz JHCMKJJQQXVSPY-BZUAXINKSA-N 1 3 297.487 2.201 10 0 CEAEHO CC(C)CN1CCN([C@H](C)C[NH2+]C2CCCC2)CC1 ZINC000055075635 519728036 /nfs/dbraw/zinc/72/80/36/519728036.db2.gz BMVRPWFYAWCBIL-OAHLLOKOSA-N 1 3 267.461 2.181 10 0 CEAEHO CC(C)CN1CCN([C@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000055078699 519728374 /nfs/dbraw/zinc/72/83/74/519728374.db2.gz URDBDEHJLFPFOC-IKGGRYGDSA-N 1 3 281.488 2.412 10 0 CEAEHO CC(C)CNCc1cn(CC[N@H+](C)[C@H](C)C(C)C)nn1 ZINC000052478536 519748147 /nfs/dbraw/zinc/74/81/47/519748147.db2.gz KDEUTNNREDYNIV-CQSZACIVSA-N 1 3 281.448 2.000 10 0 CEAEHO CC(C)CNCc1cn(CC[N@@H+](C)[C@H](C)C(C)C)nn1 ZINC000052478536 519748148 /nfs/dbraw/zinc/74/81/48/519748148.db2.gz KDEUTNNREDYNIV-CQSZACIVSA-N 1 3 281.448 2.000 10 0 CEAEHO CC(C)[C@@H]1CC[C@H](N)[C@H]([N@H+](C)C[C@@H]2CCCO2)C1 ZINC000054555389 519803307 /nfs/dbraw/zinc/80/33/07/519803307.db2.gz RQWKZKWVXRSOFT-CBBWQLFWSA-N 1 3 254.418 2.249 10 0 CEAEHO CC(C)[C@@H]1CC[C@H](N)[C@H]([N@@H+](C)C[C@@H]2CCCO2)C1 ZINC000054555389 519803308 /nfs/dbraw/zinc/80/33/08/519803308.db2.gz RQWKZKWVXRSOFT-CBBWQLFWSA-N 1 3 254.418 2.249 10 0 CEAEHO CCNCC1(C[N@@H+]2CCC[C@H]2CCCO)CCCC1 ZINC000052763346 519912762 /nfs/dbraw/zinc/91/27/62/519912762.db2.gz NXWAFTYKVLHYQZ-HNNXBMFYSA-N 1 3 268.445 2.393 10 0 CEAEHO CCNCC1(C[N@H+]2CCC[C@H]2CCCO)CCCC1 ZINC000052763346 519912763 /nfs/dbraw/zinc/91/27/63/519912763.db2.gz NXWAFTYKVLHYQZ-HNNXBMFYSA-N 1 3 268.445 2.393 10 0 CEAEHO CC[NH2+]CC1(CN2CCC[C@H]2CCCO)CCCC1 ZINC000052763346 519912765 /nfs/dbraw/zinc/91/27/65/519912765.db2.gz NXWAFTYKVLHYQZ-HNNXBMFYSA-N 1 3 268.445 2.393 10 0 CEAEHO CC[C@@H](C)N1CCN(CC[NH2+]C(C)(C)CC)CC1 ZINC000055075103 522122474 /nfs/dbraw/zinc/12/24/74/522122474.db2.gz PRBXFJOMPCSNSN-CQSZACIVSA-N 1 3 255.450 2.181 10 0 CEAEHO C[NH2+][C@@H](C)CCCCN1CCN(CC(C)C)CC1 ZINC000055078725 522320898 /nfs/dbraw/zinc/32/08/98/522320898.db2.gz ZBELGQANMGNGEB-HNNXBMFYSA-N 1 3 255.450 2.038 10 0 CEAEHO C[NH2+][C@@H](CCN1CCN(CC(C)C)CC1)C(C)(C)C ZINC000055081997 522346344 /nfs/dbraw/zinc/34/63/44/522346344.db2.gz FIIVWFGGPSNPMO-HNNXBMFYSA-N 1 3 269.477 2.284 10 0 CEAEHO CC(C)[N@H+](CCCN)CCCOCC(F)(F)F ZINC000049312078 519643140 /nfs/dbraw/zinc/64/31/40/519643140.db2.gz UUDBFOKCFZKMGC-UHFFFAOYSA-N 1 3 256.312 2.015 10 0 CEAEHO CC(C)[N@@H+](CCCN)CCCOCC(F)(F)F ZINC000049312078 519643143 /nfs/dbraw/zinc/64/31/43/519643143.db2.gz UUDBFOKCFZKMGC-UHFFFAOYSA-N 1 3 256.312 2.015 10 0 CEAEHO CC(C)N(CCC[NH3+])CCCOCC(F)(F)F ZINC000049312078 519643145 /nfs/dbraw/zinc/64/31/45/519643145.db2.gz UUDBFOKCFZKMGC-UHFFFAOYSA-N 1 3 256.312 2.015 10 0 CEAEHO CC(C)CN(CC[NH2+][C@@H](C)C(C)C)CCN(C)C ZINC000053390807 519717404 /nfs/dbraw/zinc/71/74/04/519717404.db2.gz CIAGPZQNZMVAJD-HNNXBMFYSA-N 1 3 257.466 2.140 10 0 CEAEHO CC(C)[NH2+]CC1(CN2CCCCC2)CCOCC1 ZINC000052180892 519719501 /nfs/dbraw/zinc/71/95/01/519719501.db2.gz JWMVKZUFRDNRSZ-UHFFFAOYSA-N 1 3 254.418 2.267 10 0 CEAEHO CC(C)CN1CCN(C[C@@](C)(C[NH3+])c2ccccc2)CC1 ZINC000055081799 519726482 /nfs/dbraw/zinc/72/64/82/519726482.db2.gz OLVSXGTVWUGURT-GOSISDBHSA-N 1 3 289.467 2.177 10 0 CEAEHO CC(C)CN1CCN([C@@H](C[NH3+])[C@@H](C)c2ccccc2)CC1 ZINC000055078034 519727322 /nfs/dbraw/zinc/72/73/22/519727322.db2.gz RIQFCSWFXOTMAD-WMZOPIPTSA-N 1 3 289.467 2.391 10 0 CEAEHO CC(C)CN1CCN([C@@H]([C@@H](C)[NH3+])C(C)(C)C)CC1 ZINC000055077360 519727583 /nfs/dbraw/zinc/72/75/83/519727583.db2.gz VQRCSBSUJDJPHR-KGLIPLIRSA-N 1 3 255.450 2.022 10 0 CEAEHO CC(C)[NH2+]Cc1ccccc1COCCN(C)C ZINC000052669909 519727699 /nfs/dbraw/zinc/72/76/99/519727699.db2.gz NCRZNKNUAFIPTA-UHFFFAOYSA-N 1 3 250.386 2.263 10 0 CEAEHO CC(C)CN1CCN([C@H](C)C[NH2+]Cc2cccs2)CC1 ZINC000055075891 519728132 /nfs/dbraw/zinc/72/81/32/519728132.db2.gz RNXWCSBBPRPBDG-OAHLLOKOSA-N 1 3 295.496 2.500 10 0 CEAEHO CC(C)CN1CCN(c2cc(C[NH2+]C3CC3)ccn2)CC1 ZINC000055082567 519728592 /nfs/dbraw/zinc/72/85/92/519728592.db2.gz YBUHDTPIYJEQTH-UHFFFAOYSA-N 1 3 288.439 2.112 10 0 CEAEHO CC(C)[C@H](C[NH3+])O[C@H]1CCN(Cc2ccccc2)C1 ZINC000061702301 519815132 /nfs/dbraw/zinc/81/51/32/519815132.db2.gz FLLBEYRJSHPHCG-HOTGVXAUSA-N 1 3 262.397 2.261 10 0 CEAEHO CCC[NH+]1CCC(NC2=N[C@@H](CC)CS2)CC1 ZINC000049559141 519846474 /nfs/dbraw/zinc/84/64/74/519846474.db2.gz AMNOVWNYLPUREZ-NSHDSACASA-N 1 3 255.431 2.332 10 0 CEAEHO CCCN1CCN([C@H](CC)C[NH2+]CC(C)C)CC1 ZINC000052421786 519859617 /nfs/dbraw/zinc/85/96/17/519859617.db2.gz CPXGKQOROAHVMA-OAHLLOKOSA-N 1 3 255.450 2.038 10 0 CEAEHO CC[NH2+]C[C@@H](C(C)C)N1CCN(C(C)(C)C)CC1 ZINC000052571551 519930924 /nfs/dbraw/zinc/93/09/24/519930924.db2.gz KCMMMDDBGPGTTD-AWEZNQCLSA-N 1 3 255.450 2.037 10 0 CEAEHO CCC[NH2+]C[C@H]1CC[C@@H](CN(C)C[C@@H]2CCCCO2)O1 ZINC000052507627 519937113 /nfs/dbraw/zinc/93/71/13/519937113.db2.gz DCTHDSDNHASOAG-PMPSAXMXSA-N 1 3 284.444 2.035 10 0 CEAEHO CCCNCc1ccc(CN2CCC[C@@H]2C[NH+](C)C)o1 ZINC000061654489 519948662 /nfs/dbraw/zinc/94/86/62/519948662.db2.gz FWHSGXBVUJGYBR-CQSZACIVSA-N 1 3 279.428 2.305 10 0 CEAEHO CCC[NH2+]Cc1cccc(COCCN(C)C)c1 ZINC000052669514 519954366 /nfs/dbraw/zinc/95/43/66/519954366.db2.gz IZJOAWYNGMRVTG-UHFFFAOYSA-N 1 3 250.386 2.264 10 0 CEAEHO CCC[NH2+][C@@H](C)[C@H](C)N1CCN(CC(C)C)CC1 ZINC000055079416 519987799 /nfs/dbraw/zinc/98/77/99/519987799.db2.gz ZZVRKHODTNUDQC-GJZGRUSLSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[NH2+]Cc1cnc(N(C)C2CCN(CC)CC2)s1 ZINC000054908102 520015448 /nfs/dbraw/zinc/01/54/48/520015448.db2.gz KRZRTXOFJVIARJ-UHFFFAOYSA-N 1 3 282.457 2.173 10 0 CEAEHO CCC[NH2+][C@H](CN1CCC[C@@H]1CN(C)C)C(C)(C)C ZINC000061643733 520082398 /nfs/dbraw/zinc/08/23/98/520082398.db2.gz UBJLGIGQVNWRHG-HUUCEWRRSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CCN(CC(C)C)CC1 ZINC000055079312 520122088 /nfs/dbraw/zinc/12/20/88/520122088.db2.gz RJGARSXDVFQNEP-ZACQAIPSSA-N 1 3 281.488 2.427 10 0 CEAEHO CCCCC[N@H+](C)CCn1cc(CNCC(C)C)nn1 ZINC000052454809 520151623 /nfs/dbraw/zinc/15/16/23/520151623.db2.gz FJCYEKAEFRBGBS-UHFFFAOYSA-N 1 3 281.448 2.146 10 0 CEAEHO CCCCC[N@@H+](C)CCn1cc(CNCC(C)C)nn1 ZINC000052454809 520151628 /nfs/dbraw/zinc/15/16/28/520151628.db2.gz FJCYEKAEFRBGBS-UHFFFAOYSA-N 1 3 281.448 2.146 10 0 CEAEHO CCCCC[NH2+]C[C@@H](C)N(C)C1CCN(C)CC1 ZINC000053487077 520225051 /nfs/dbraw/zinc/22/50/51/520225051.db2.gz BQKDZQLZAVXOLL-CQSZACIVSA-N 1 3 255.450 2.181 10 0 CEAEHO CCCCC[NH2+]CCN1CCN(CC(C)C)CC1 ZINC000055075767 520225293 /nfs/dbraw/zinc/22/52/93/520225293.db2.gz DQQPWLGQMPTGQP-UHFFFAOYSA-N 1 3 255.450 2.040 10 0 CEAEHO CC[NH+](CC)[C@H]1CCN(c2cc(C)ccc2CN)C1 ZINC000062976886 520874395 /nfs/dbraw/zinc/87/43/95/520874395.db2.gz KTTCJNMNOVLLRO-HNNXBMFYSA-N 1 3 261.413 2.374 10 0 CEAEHO CCC(CC)[C@@H](CNC(=O)[C@H]1CCCCN1)[NH+]1CCCC1 ZINC000164390109 521605180 /nfs/dbraw/zinc/60/51/80/521605180.db2.gz CLHNRBBBABVWHJ-HZPDHXFCSA-N 1 3 295.471 2.145 10 0 CEAEHO CCCN(CCN(C)C)C[C@@H](C)C[NH2+]C(C)(C)C ZINC000052544153 521656492 /nfs/dbraw/zinc/65/64/92/521656492.db2.gz JXDCITPUHIERAC-AWEZNQCLSA-N 1 3 257.466 2.284 10 0 CEAEHO CCCN(CCN(C)C)c1nc2c(s1)[C@@H]([NH3+])CCC2 ZINC000054897709 521658582 /nfs/dbraw/zinc/65/85/82/521658582.db2.gz XMWZSZYEXLRCSO-NSHDSACASA-N 1 3 282.457 2.257 10 0 CEAEHO CNCC1(C[N@H+](CC2CC2)C(C)C)CCOCC1 ZINC000052197831 521968691 /nfs/dbraw/zinc/96/86/91/521968691.db2.gz XSYIQPCLDKKVKC-UHFFFAOYSA-N 1 3 254.418 2.123 10 0 CEAEHO CNCC1(C[N@@H+](CC2CC2)C(C)C)CCOCC1 ZINC000052197831 521968697 /nfs/dbraw/zinc/96/86/97/521968697.db2.gz XSYIQPCLDKKVKC-UHFFFAOYSA-N 1 3 254.418 2.123 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@@H]([NH3+])c2ccccc2C)CC1 ZINC000055065414 522122186 /nfs/dbraw/zinc/12/21/86/522122186.db2.gz BBJVGCHAVCQMHQ-NVXWUHKLSA-N 1 3 275.440 2.411 10 0 CEAEHO C[NH2+]Cc1ccccc1N1CCN(CC(C)C)CC1 ZINC000055080272 522137703 /nfs/dbraw/zinc/13/77/03/522137703.db2.gz SOLPSTBRKOCHJD-UHFFFAOYSA-N 1 3 261.413 2.184 10 0 CEAEHO CC[C@H]([NH3+])[C@@H](c1cccnc1)N1CCN(CC(C)C)CC1 ZINC000055077474 522339824 /nfs/dbraw/zinc/33/98/24/522339824.db2.gz VOFPGAJBAHIICS-DLBZAZTESA-N 1 3 290.455 2.134 10 0 CEAEHO CC[C@@H](C[NH2+]C(C)(C)C)N1CCC[C@@H]1CN(C)C ZINC000061654705 522542701 /nfs/dbraw/zinc/54/27/01/522542701.db2.gz NQWXBMXYFYZKJO-UONOGXRCSA-N 1 3 255.450 2.179 10 0 CEAEHO CN(CC1CC[NH+](C)CC1)c1ncccc1CNC1CC1 ZINC000063122206 522659022 /nfs/dbraw/zinc/65/90/22/522659022.db2.gz YIVIVAPIIHKGAX-UHFFFAOYSA-N 1 3 288.439 2.112 10 0 CEAEHO COc1cc2c(cc1OC)CN([C@H](C)CCC[NH3+])CC2 ZINC000052417243 523032010 /nfs/dbraw/zinc/03/20/10/523032010.db2.gz YVCRRKWNYVJYAA-GFCCVEGCSA-N 1 3 278.396 2.189 10 0 CEAEHO CC[C@]1(C)CN[C@H](C(C)C)C[N@@H+]1CCn1ccnc1C ZINC000068704261 523575298 /nfs/dbraw/zinc/57/52/98/523575298.db2.gz MZGHTGZUUHLOPT-JKSUJKDBSA-N 1 3 278.444 2.290 10 0 CEAEHO CC[C@]1(C)CN[C@H](C(C)C)C[N@H+]1CCn1ccnc1C ZINC000068704261 523575305 /nfs/dbraw/zinc/57/53/05/523575305.db2.gz MZGHTGZUUHLOPT-JKSUJKDBSA-N 1 3 278.444 2.290 10 0 CEAEHO COCCN(C)CCOc1ccc(C[NH2+]CC(C)C)cc1 ZINC000052572863 523615751 /nfs/dbraw/zinc/61/57/51/523615751.db2.gz DVGNHCVGENUSAP-UHFFFAOYSA-N 1 3 294.439 2.389 10 0 CEAEHO CC[C@H](C)N1CCN(CC[C@@H]([NH2+]C)C(C)(C)C)CC1 ZINC000055072448 523954432 /nfs/dbraw/zinc/95/44/32/523954432.db2.gz ZSJHKYIFRWKLQT-LSDHHAIUSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C)CC[NH2+]C(C)C)CC1 ZINC000055074862 523959352 /nfs/dbraw/zinc/95/93/52/523959352.db2.gz COSMQQBCHYXYEI-LSDHHAIUSA-N 1 3 255.450 2.179 10 0 CEAEHO CC[C@H](C)N1CCN(c2nc(C)cc(C)c2C[NH2+]C)CC1 ZINC000055073332 523962242 /nfs/dbraw/zinc/96/22/42/523962242.db2.gz PXEWKOHOLZTRTO-HNNXBMFYSA-N 1 3 290.455 2.338 10 0 CEAEHO C[NH+](C)CC1CCN([C@@H]2CNCc3ccccc32)CC1 ZINC000069266401 524049633 /nfs/dbraw/zinc/04/96/33/524049633.db2.gz LMTBRSFWRRTMLA-QGZVFWFLSA-N 1 3 273.424 2.105 10 0 CEAEHO C[C@@H]1CCC[C@](C[NH3+])(N2CCN(CC3CC3)CC2)[C@@H]1C ZINC000068628183 524429478 /nfs/dbraw/zinc/42/94/78/524429478.db2.gz AYGCGLVDEONFFY-BFYDXBDKSA-N 1 3 279.472 2.168 10 0 CEAEHO C[C@H]([NH3+])c1cccc(NC(=O)N2CCC[C@@H]2CN(C)C)c1 ZINC000061655764 524868284 /nfs/dbraw/zinc/86/82/84/524868284.db2.gz ZGSLDQKHMKKVFV-SWLSCSKDSA-N 1 3 290.411 2.264 10 0 CEAEHO COc1ccc([C@H](N)[C@H](C)[N@H+](C)C2CCN(C)CC2)cc1 ZINC000052684852 525363473 /nfs/dbraw/zinc/36/34/73/525363473.db2.gz KZIQVHNPNHNGDK-SUMWQHHRSA-N 1 3 291.439 2.110 10 0 CEAEHO COc1ccc([C@H](N)[C@H](C)[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000052684852 525363480 /nfs/dbraw/zinc/36/34/80/525363480.db2.gz KZIQVHNPNHNGDK-SUMWQHHRSA-N 1 3 291.439 2.110 10 0 CEAEHO Cc1ccc([C@@H](N)[C@H](C)[N@@H+]2CCC[C@@H]2CN(C)C)cc1 ZINC000061643505 525767779 /nfs/dbraw/zinc/76/77/79/525767779.db2.gz PASNUHYIPKSXGP-UAGQMJEPSA-N 1 3 275.440 2.409 10 0 CEAEHO Cc1ccc([C@@H](N)[C@H](C)[N@H+]2CCC[C@@H]2CN(C)C)cc1 ZINC000061643505 525767785 /nfs/dbraw/zinc/76/77/85/525767785.db2.gz PASNUHYIPKSXGP-UAGQMJEPSA-N 1 3 275.440 2.409 10 0 CEAEHO Cc1oc(CN2CCCN(C)CC2)cc1C[NH2+]CC(C)C ZINC000052424191 526770683 /nfs/dbraw/zinc/77/06/83/526770683.db2.gz DZUZUMHRXHQVOW-UHFFFAOYSA-N 1 3 293.455 2.471 10 0 CEAEHO NC(=[NH2+])C[C@H](c1ccccc1)N1CCN(CC2CC2)CC1 ZINC000055023260 526818103 /nfs/dbraw/zinc/81/81/03/526818103.db2.gz DZXZXUNKVOPMAX-MRXNPFEDSA-N 1 3 286.423 2.081 10 0 CEAEHO NCc1c(F)cccc1OCCC[NH+]1CCCC1 ZINC000049331642 527242872 /nfs/dbraw/zinc/24/28/72/527242872.db2.gz RDSWTCBMCLNHFD-UHFFFAOYSA-N 1 3 252.333 2.149 10 0 CEAEHO Cc1ccccc1OCCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000311831380 627702666 /nfs/dbraw/zinc/70/26/66/627702666.db2.gz PDHODLBDSJMHMH-SOUVJXGZSA-N 1 3 260.381 2.043 10 0 CEAEHO NC[C@@H]1C[N@H+](CCCCCCO)C[C@H]1c1ccccc1 ZINC000328318882 640777526 /nfs/dbraw/zinc/77/75/26/640777526.db2.gz DJOZMZMLXVKWJQ-SJORKVTESA-N 1 3 276.424 2.213 10 0 CEAEHO NC[C@@H]1C[N@@H+](CCCCCCO)C[C@H]1c1ccccc1 ZINC000328318882 640777528 /nfs/dbraw/zinc/77/75/28/640777528.db2.gz DJOZMZMLXVKWJQ-SJORKVTESA-N 1 3 276.424 2.213 10 0 CEAEHO [NH3+]CCCN1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC000039173055 343435400 /nfs/dbraw/zinc/43/54/00/343435400.db2.gz UUFAPTHUEHHMIS-QGZVFWFLSA-N 1 3 273.424 2.030 10 0 CEAEHO CCN1CCC[C@@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000071401028 343800926 /nfs/dbraw/zinc/80/09/26/343800926.db2.gz CKKXSOFANOKPTB-CVEARBPZSA-N 1 3 289.423 2.067 10 0 CEAEHO CC(C)C[C@H]1C[N@H+](C[C@@H]2CCCO2)[C@@H](C)CCN1 ZINC000085621910 179105493 /nfs/dbraw/zinc/10/54/93/179105493.db2.gz MIBMVEGIBPWOKB-KKUMJFAQSA-N 1 3 254.418 2.264 10 0 CEAEHO CC(C)C[C@H]1C[N@@H+](C[C@@H]2CCCO2)[C@@H](C)CCN1 ZINC000085621910 179105494 /nfs/dbraw/zinc/10/54/94/179105494.db2.gz MIBMVEGIBPWOKB-KKUMJFAQSA-N 1 3 254.418 2.264 10 0 CEAEHO CC[N@@H+]1CCC[C@H](N2CCN[C@H](c3ccccc3)C2)C1 ZINC000086143125 179237411 /nfs/dbraw/zinc/23/74/11/179237411.db2.gz LQTIJYQOZUTXGS-IRXDYDNUSA-N 1 3 273.424 2.117 10 0 CEAEHO CC[N@H+]1CCC[C@H](N2CCN[C@H](c3ccccc3)C2)C1 ZINC000086143125 179237413 /nfs/dbraw/zinc/23/74/13/179237413.db2.gz LQTIJYQOZUTXGS-IRXDYDNUSA-N 1 3 273.424 2.117 10 0 CEAEHO CC(C)[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1CC1CCN(C)CC1 ZINC000086173673 179244326 /nfs/dbraw/zinc/24/43/26/179244326.db2.gz PXNABJGOBWOLQW-SJORKVTESA-N 1 3 281.488 2.283 10 0 CEAEHO CC(C)[C@@H]1CN[C@@H](C(C)C)C[N@H+]1CC1CCN(C)CC1 ZINC000086173673 179244329 /nfs/dbraw/zinc/24/43/29/179244329.db2.gz PXNABJGOBWOLQW-SJORKVTESA-N 1 3 281.488 2.283 10 0 CEAEHO CC[C@H]1CN[C@H](C(C)C)C[N@@H+]1[C@@H]1CCCN(CC)C1 ZINC000086172522 179244907 /nfs/dbraw/zinc/24/49/07/179244907.db2.gz QGASANBRWDEDOY-XHSDSOJGSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1CN[C@H](C(C)C)C[N@H+]1[C@@H]1CCCN(CC)C1 ZINC000086172522 179244909 /nfs/dbraw/zinc/24/49/09/179244909.db2.gz QGASANBRWDEDOY-XHSDSOJGSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1C[NH2+][C@H](C(C)C)CN1[C@@H]1CCCN(CC)C1 ZINC000086172522 179244911 /nfs/dbraw/zinc/24/49/11/179244911.db2.gz QGASANBRWDEDOY-XHSDSOJGSA-N 1 3 267.461 2.179 10 0 CEAEHO CC(C)[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1CCCN(C)C ZINC000086217782 179249509 /nfs/dbraw/zinc/24/95/09/179249509.db2.gz IWDZIDORVNWPAD-CABCVRRESA-N 1 3 269.477 2.283 10 0 CEAEHO CC(C)[C@H]1CN[C@H](C(C)(C)C)C[N@H+]1CCCN(C)C ZINC000086217782 179249510 /nfs/dbraw/zinc/24/95/10/179249510.db2.gz IWDZIDORVNWPAD-CABCVRRESA-N 1 3 269.477 2.283 10 0 CEAEHO CC[C@H]1C[N@H+](C[C@@H]2CCN(CC)C2)[C@H](C(C)C)CN1 ZINC000086223045 179250481 /nfs/dbraw/zinc/25/04/81/179250481.db2.gz KWYBSMGXXBRCRR-PMPSAXMXSA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@H]1C[N@@H+](C[C@@H]2CCN(CC)C2)[C@H](C(C)C)CN1 ZINC000086223045 179250482 /nfs/dbraw/zinc/25/04/82/179250482.db2.gz KWYBSMGXXBRCRR-PMPSAXMXSA-N 1 3 267.461 2.037 10 0 CEAEHO CCC[C@H]1C[N@H+](C[C@@H]2CCN(CC)C2)[C@H](C(C)C)CN1 ZINC000086223071 179251133 /nfs/dbraw/zinc/25/11/33/179251133.db2.gz DDUXYZJLJWAJPA-IKGGRYGDSA-N 1 3 281.488 2.427 10 0 CEAEHO CCC[C@H]1C[N@@H+](C[C@@H]2CCN(CC)C2)[C@H](C(C)C)CN1 ZINC000086223071 179251136 /nfs/dbraw/zinc/25/11/36/179251136.db2.gz DDUXYZJLJWAJPA-IKGGRYGDSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@H+](CC[C@@H]2CCCO2)CCCN1 ZINC000086291371 179265762 /nfs/dbraw/zinc/26/57/62/179265762.db2.gz WWQGWETVOVRNCY-KKUMJFAQSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)CCCN1 ZINC000086291371 179265763 /nfs/dbraw/zinc/26/57/63/179265763.db2.gz WWQGWETVOVRNCY-KKUMJFAQSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[C@H](C)[C@@H]1CN(CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291371 179265765 /nfs/dbraw/zinc/26/57/65/179265765.db2.gz WWQGWETVOVRNCY-KKUMJFAQSA-N 1 3 254.418 2.266 10 0 CEAEHO C1CCC2(CC1)C[N@@H+]([C@@H]1CCCOC1)CCCN2 ZINC000086297577 179267274 /nfs/dbraw/zinc/26/72/74/179267274.db2.gz IQZIRJDPCBOLCX-CQSZACIVSA-N 1 3 252.402 2.164 10 0 CEAEHO C1CCC2(CC1)C[N@H+]([C@@H]1CCCOC1)CCCN2 ZINC000086297577 179267276 /nfs/dbraw/zinc/26/72/76/179267276.db2.gz IQZIRJDPCBOLCX-CQSZACIVSA-N 1 3 252.402 2.164 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H]2OC)CCCN1 ZINC000086293505 179267464 /nfs/dbraw/zinc/26/74/64/179267464.db2.gz NLBYXSPJTXIWOZ-XQLPTFJDSA-N 1 3 254.418 2.264 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@H+]([C@@H]2CCC[C@@H]2OC)CCCN1 ZINC000086293505 179267465 /nfs/dbraw/zinc/26/74/65/179267465.db2.gz NLBYXSPJTXIWOZ-XQLPTFJDSA-N 1 3 254.418 2.264 10 0 CEAEHO CC[C@H](C)[C@@H]1CN([C@@H]2CCC[C@@H]2OC)CCC[NH2+]1 ZINC000086293505 179267466 /nfs/dbraw/zinc/26/74/66/179267466.db2.gz NLBYXSPJTXIWOZ-XQLPTFJDSA-N 1 3 254.418 2.264 10 0 CEAEHO CC[C@@H](COC)[N@@H+]1CCCNC2(CCCCC2)C1 ZINC000086299457 179269247 /nfs/dbraw/zinc/26/92/47/179269247.db2.gz XWUHYDYUBWPOEQ-AWEZNQCLSA-N 1 3 254.418 2.410 10 0 CEAEHO CC[C@@H](COC)[N@H+]1CCCNC2(CCCCC2)C1 ZINC000086299457 179269248 /nfs/dbraw/zinc/26/92/48/179269248.db2.gz XWUHYDYUBWPOEQ-AWEZNQCLSA-N 1 3 254.418 2.410 10 0 CEAEHO CC[C@@H](COC)N1CCC[NH2+]C2(CCCCC2)C1 ZINC000086299457 179269250 /nfs/dbraw/zinc/26/92/50/179269250.db2.gz XWUHYDYUBWPOEQ-AWEZNQCLSA-N 1 3 254.418 2.410 10 0 CEAEHO C[C@@H](N[C@H]1CCC[N@H+](C)CC1)c1ccc(NC(N)=O)cc1 ZINC000086818562 179347625 /nfs/dbraw/zinc/34/76/25/179347625.db2.gz JMAAWMPIOYBSJO-OCCSQVGLSA-N 1 3 290.411 2.312 10 0 CEAEHO C[C@@H](N[C@H]1CCC[N@@H+](C)CC1)c1ccc(NC(N)=O)cc1 ZINC000086818562 179347628 /nfs/dbraw/zinc/34/76/28/179347628.db2.gz JMAAWMPIOYBSJO-OCCSQVGLSA-N 1 3 290.411 2.312 10 0 CEAEHO CCN1CCC[C@@](CN)([N@H+](CC2CC2)C(C)C)CC1 ZINC000086848122 179356877 /nfs/dbraw/zinc/35/68/77/179356877.db2.gz GBZZSRJFZOWZOW-MRXNPFEDSA-N 1 3 267.461 2.310 10 0 CEAEHO CCN1CCC[C@@](CN)([N@@H+](CC2CC2)C(C)C)CC1 ZINC000086848122 179356879 /nfs/dbraw/zinc/35/68/79/179356879.db2.gz GBZZSRJFZOWZOW-MRXNPFEDSA-N 1 3 267.461 2.310 10 0 CEAEHO CC(C)[N@@H+]1CCC[C@@H](N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000086843437 179353694 /nfs/dbraw/zinc/35/36/94/179353694.db2.gz GDVOMOLTJHOFLB-HUUCEWRRSA-N 1 3 265.445 2.076 10 0 CEAEHO CC(C)[N@H+]1CCC[C@@H](N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000086843437 179353695 /nfs/dbraw/zinc/35/36/95/179353695.db2.gz GDVOMOLTJHOFLB-HUUCEWRRSA-N 1 3 265.445 2.076 10 0 CEAEHO CC(C)[N@@H+]1CCC[C@H](NCCOCC(F)(F)F)CC1 ZINC000086845178 179354845 /nfs/dbraw/zinc/35/48/45/179354845.db2.gz SMDHCUUOOGWJAC-LBPRGKRZSA-N 1 3 282.350 2.418 10 0 CEAEHO CC(C)[N@H+]1CCC[C@H](NCCOCC(F)(F)F)CC1 ZINC000086845178 179354847 /nfs/dbraw/zinc/35/48/47/179354847.db2.gz SMDHCUUOOGWJAC-LBPRGKRZSA-N 1 3 282.350 2.418 10 0 CEAEHO CC(C)N1CCC[C@H]([NH2+]CCOCC(F)(F)F)CC1 ZINC000086845178 179354849 /nfs/dbraw/zinc/35/48/49/179354849.db2.gz SMDHCUUOOGWJAC-LBPRGKRZSA-N 1 3 282.350 2.418 10 0 CEAEHO CC(C)[C@H]1CCC[C@@](C[NH3+])(N(C)CCN(C)C)CC1 ZINC000086948969 179368856 /nfs/dbraw/zinc/36/88/56/179368856.db2.gz CMCSRRUWEWISIO-JKSUJKDBSA-N 1 3 269.477 2.414 10 0 CEAEHO CC(C)[C@H]1CCC[C@@](CN)([N@H+](C)CCN(C)C)CC1 ZINC000086948969 179368858 /nfs/dbraw/zinc/36/88/58/179368858.db2.gz CMCSRRUWEWISIO-JKSUJKDBSA-N 1 3 269.477 2.414 10 0 CEAEHO CC(C)[C@H]1CCC[C@@](CN)([N@@H+](C)CCN(C)C)CC1 ZINC000086948969 179368859 /nfs/dbraw/zinc/36/88/59/179368859.db2.gz CMCSRRUWEWISIO-JKSUJKDBSA-N 1 3 269.477 2.414 10 0 CEAEHO C[C@H](N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400342603 233176542 /nfs/dbraw/zinc/17/65/42/233176542.db2.gz JDXFSBWLHGIFLG-CGTJXYLNSA-N 1 3 287.451 2.239 10 0 CEAEHO Cc1ccc2c(c1)C[C@H](C[NH2+]C[C@H]1CCN(C3CC3)C1)O2 ZINC000090897476 180057004 /nfs/dbraw/zinc/05/70/04/180057004.db2.gz RKUPLMGRVSBCJK-RHSMWYFYSA-N 1 3 286.419 2.372 10 0 CEAEHO Cc1ccc2c(c1)C[C@H](CNC[C@H]1CC[N@@H+](C3CC3)C1)O2 ZINC000090897476 180057005 /nfs/dbraw/zinc/05/70/05/180057005.db2.gz RKUPLMGRVSBCJK-RHSMWYFYSA-N 1 3 286.419 2.372 10 0 CEAEHO Cc1ccc2c(c1)C[C@H](CNC[C@H]1CC[N@H+](C3CC3)C1)O2 ZINC000090897476 180057008 /nfs/dbraw/zinc/05/70/08/180057008.db2.gz RKUPLMGRVSBCJK-RHSMWYFYSA-N 1 3 286.419 2.372 10 0 CEAEHO CCC[C@H](C[NH3+])C1(O)CCN(Cc2ccccc2)CC1 ZINC000669377127 539758415 /nfs/dbraw/zinc/75/84/15/539758415.db2.gz HAIZILGNUQAUAD-MRXNPFEDSA-N 1 3 276.424 2.389 10 0 CEAEHO C(C[N@@H+]1CCC[C@@H]1C1CCCC1)[C@@H]1CNCCO1 ZINC000091314039 180133491 /nfs/dbraw/zinc/13/34/91/180133491.db2.gz PDWAZYLSBCDYOA-HUUCEWRRSA-N 1 3 252.402 2.020 10 0 CEAEHO C(C[N@H+]1CCC[C@@H]1C1CCCC1)[C@@H]1CNCCO1 ZINC000091314039 180133493 /nfs/dbraw/zinc/13/34/93/180133493.db2.gz PDWAZYLSBCDYOA-HUUCEWRRSA-N 1 3 252.402 2.020 10 0 CEAEHO CCCc1c(C[NH2+]CC(C)C)cnn1CCN(C)C ZINC000091338544 180136577 /nfs/dbraw/zinc/13/65/77/180136577.db2.gz CJOHMMKBHLBOII-UHFFFAOYSA-N 1 3 266.433 2.143 10 0 CEAEHO CC(C)N1CCN(C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000091362319 180141694 /nfs/dbraw/zinc/14/16/94/180141694.db2.gz TVXYBHJJPGJWCY-ULQDDVLXSA-N 1 3 279.472 2.323 10 0 CEAEHO CN1CCN(C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CC1(C)C ZINC000091362848 180142331 /nfs/dbraw/zinc/14/23/31/180142331.db2.gz BMNDVZTYQRTPRA-JYJNAYRXSA-N 1 3 279.472 2.323 10 0 CEAEHO COc1ccc(CN2CCC(C[NH3+])(SC)CC2)cc1F ZINC000091473022 180165492 /nfs/dbraw/zinc/16/54/92/180165492.db2.gz GXNVJTFWXMQNAZ-UHFFFAOYSA-N 1 3 298.427 2.491 10 0 CEAEHO C[NH2+]C[C@]1(CN(C)CC2CC(O)C2)CCC[C@@H](C)C1 ZINC000091498655 180174250 /nfs/dbraw/zinc/17/42/50/180174250.db2.gz AUUBWBGXJAQJPB-LMPOIIKSSA-N 1 3 268.445 2.105 10 0 CEAEHO CNC[C@]1(C[N@H+](C)CC2CC(O)C2)CCC[C@@H](C)C1 ZINC000091498655 180174253 /nfs/dbraw/zinc/17/42/53/180174253.db2.gz AUUBWBGXJAQJPB-LMPOIIKSSA-N 1 3 268.445 2.105 10 0 CEAEHO CNC[C@]1(C[N@@H+](C)CC2CC(O)C2)CCC[C@@H](C)C1 ZINC000091498655 180174255 /nfs/dbraw/zinc/17/42/55/180174255.db2.gz AUUBWBGXJAQJPB-LMPOIIKSSA-N 1 3 268.445 2.105 10 0 CEAEHO C[C@@H]1CC[C@](CN)([N@@H+]2CCC[C@H](N(C)C)C2)C[C@@H]1C ZINC000091394428 180146052 /nfs/dbraw/zinc/14/60/52/180146052.db2.gz KVKSGTWLAYFXSX-UGUYLWEFSA-N 1 3 267.461 2.166 10 0 CEAEHO C[C@@H]1CC[C@](CN)([N@H+]2CCC[C@H](N(C)C)C2)C[C@@H]1C ZINC000091394428 180146053 /nfs/dbraw/zinc/14/60/53/180146053.db2.gz KVKSGTWLAYFXSX-UGUYLWEFSA-N 1 3 267.461 2.166 10 0 CEAEHO CN(C)[C@@H]1CCC[N@@H+](C2(CN)CCCCCCC2)C1 ZINC000091395214 180146513 /nfs/dbraw/zinc/14/65/13/180146513.db2.gz DNTZDKUSKYMXOU-OAHLLOKOSA-N 1 3 267.461 2.454 10 0 CEAEHO CN(C)[C@@H]1CCC[N@H+](C2(CN)CCCCCCC2)C1 ZINC000091395214 180146516 /nfs/dbraw/zinc/14/65/16/180146516.db2.gz DNTZDKUSKYMXOU-OAHLLOKOSA-N 1 3 267.461 2.454 10 0 CEAEHO CCC[NH2+][C@@H](C)C(C)(C)CN1CCN(CC2CC2)CC1 ZINC000091404503 180147371 /nfs/dbraw/zinc/14/73/71/180147371.db2.gz TXADSTRAWVWJEP-HNNXBMFYSA-N 1 3 281.488 2.428 10 0 CEAEHO CCCN1CCN(CC(C)(C)[C@@H](C)[NH2+]CC)CC1 ZINC000091402262 180147430 /nfs/dbraw/zinc/14/74/30/180147430.db2.gz CQEDKNBQWXVRRJ-CQSZACIVSA-N 1 3 255.450 2.038 10 0 CEAEHO C[NH2+][C@@H](C)C(C)(C)CN(CCN(C)C)CC(C)C ZINC000091403266 180147558 /nfs/dbraw/zinc/14/75/58/180147558.db2.gz CHEKEFFJFJHMNW-AWEZNQCLSA-N 1 3 257.466 2.140 10 0 CEAEHO CC[NH2+][C@H](C)C(C)(C)CN1CCN(CC2CC2)CC1 ZINC000091404509 180147614 /nfs/dbraw/zinc/14/76/14/180147614.db2.gz IQHGOACCDBNUBP-CQSZACIVSA-N 1 3 267.461 2.038 10 0 CEAEHO CC(C)C[NH2+]CC[C@](C)(O)[C@H]1NCc2ccccc21 ZINC000091521034 180178058 /nfs/dbraw/zinc/17/80/58/180178058.db2.gz GHIQCMGRJCZTQF-HOTGVXAUSA-N 1 3 262.397 2.218 10 0 CEAEHO CC(C)(C)[NH2+]CC[C@](C)(O)[C@H]1NCc2ccccc21 ZINC000091523053 180178416 /nfs/dbraw/zinc/17/84/16/180178416.db2.gz UHPRTQNJHIEBEO-HOCLYGCPSA-N 1 3 262.397 2.360 10 0 CEAEHO CCC(CC)([C@H](Cc1cnccc1N)[NH2+]C)N1CCCC1 ZINC000091635101 180210871 /nfs/dbraw/zinc/21/08/71/180210871.db2.gz WPIDZFAMPVLLOR-INIZCTEOSA-N 1 3 290.455 2.449 10 0 CEAEHO CCC(CC)([C@H](Cc1cnccc1N)NC)[NH+]1CCCC1 ZINC000091635101 180210873 /nfs/dbraw/zinc/21/08/73/180210873.db2.gz WPIDZFAMPVLLOR-INIZCTEOSA-N 1 3 290.455 2.449 10 0 CEAEHO CCc1cc(C[C@@H]([NH3+])C2(N3CCCC3)CCCC2)n(C)n1 ZINC000091640677 180213566 /nfs/dbraw/zinc/21/35/66/180213566.db2.gz ZJCOBOSIMGTKMJ-MRXNPFEDSA-N 1 3 290.455 2.261 10 0 CEAEHO CCN(Cc1nc(C)c(C)o1)C1CCC([NH3+])CC1 ZINC000091850852 180272459 /nfs/dbraw/zinc/27/24/59/180272459.db2.gz IBLRWXQOLBYRQA-UHFFFAOYSA-N 1 3 251.374 2.383 10 0 CEAEHO CCC[NH2+]C1CCC(N(C)CC(=O)N[C@@H](C)CC)CC1 ZINC000091870102 180277086 /nfs/dbraw/zinc/27/70/86/180277086.db2.gz MUENMPUMKKULIO-NFOMZHRRSA-N 1 3 283.460 2.144 10 0 CEAEHO CCC[NH2+]C1CCC(N(C)CC(=O)N[C@@H](C)C(C)C)CC1 ZINC000091870095 180277511 /nfs/dbraw/zinc/27/75/11/180277511.db2.gz DGWWFSFUNIJZAX-FHERZECASA-N 1 3 297.487 2.390 10 0 CEAEHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)c1 ZINC000092203690 180343481 /nfs/dbraw/zinc/34/34/81/180343481.db2.gz YUWRYHRQMXUJTJ-CABCVRRESA-N 1 3 287.407 2.370 10 0 CEAEHO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C[C@@H]1CSc2ccccc21 ZINC000092290793 180357674 /nfs/dbraw/zinc/35/76/74/180357674.db2.gz YBNMVIWWPKFRKN-BHPKHCPMSA-N 1 3 274.433 2.416 10 0 CEAEHO CC[NH+](CC)C[C@@H](C)NC[C@@H]1COc2ccccc21 ZINC000092300576 180358544 /nfs/dbraw/zinc/35/85/44/180358544.db2.gz LNMFXYCNZVTKFQ-ZIAGYGMSSA-N 1 3 262.397 2.483 10 0 CEAEHO CC[C@H](C)N1CCN(Cc2cc(NC)cc[nH+]2)CC1 ZINC000092419010 180381796 /nfs/dbraw/zinc/38/17/96/180381796.db2.gz XWRXUVWTWJZYTJ-ZDUSSCGKSA-N 1 3 262.401 2.039 10 0 CEAEHO CCNc1ccnc(CN2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000092419414 180382536 /nfs/dbraw/zinc/38/25/36/180382536.db2.gz ZQIBLJKASZAWGC-OAHLLOKOSA-N 1 3 262.401 2.039 10 0 CEAEHO CCN(CC)CCc1noc([C@H](C(C)C)[C@@H](C)[NH3+])n1 ZINC000109496059 186256903 /nfs/dbraw/zinc/25/69/03/186256903.db2.gz MQIGBJAMLSZEFX-DGCLKSJQSA-N 1 3 268.405 2.041 10 0 CEAEHO Cc1ccc([C@H]([C@H](C)[NH3+])N2CCN(C)C(C)(C)C2)cc1 ZINC000110704651 186314739 /nfs/dbraw/zinc/31/47/39/186314739.db2.gz GQMPDXLOUSKUNO-HOCLYGCPSA-N 1 3 275.440 2.409 10 0 CEAEHO CCC[NH2+][C@@H](CCC)CN1CCN(C)C(C)(C)C1 ZINC000110716979 186316739 /nfs/dbraw/zinc/31/67/39/186316739.db2.gz KRRDBCNVXRLJJO-AWEZNQCLSA-N 1 3 255.450 2.181 10 0 CEAEHO CCN1CCN(C[C@@](C)(C[NH2+]C)c2ccccc2)C[C@@H]1C ZINC000110745688 186319605 /nfs/dbraw/zinc/31/96/05/186319605.db2.gz JEOZRDRPJILDOK-FUHWJXTLSA-N 1 3 289.467 2.190 10 0 CEAEHO CC[NH2+]CC1(CN2CCN(C)C(C)(C)C2)CCCC1 ZINC000110747145 186319891 /nfs/dbraw/zinc/31/98/91/186319891.db2.gz HOERQPAQXSSLMR-UHFFFAOYSA-N 1 3 267.461 2.182 10 0 CEAEHO CN1CC[N@H+](Cc2c3ccccc3oc2CN)CC1(C)C ZINC000110754613 186320462 /nfs/dbraw/zinc/32/04/62/186320462.db2.gz RTTXJXAMAVVQOT-UHFFFAOYSA-N 1 3 287.407 2.418 10 0 CEAEHO CN1CC[N@@H+](Cc2c3ccccc3oc2CN)CC1(C)C ZINC000110754613 186320463 /nfs/dbraw/zinc/32/04/63/186320463.db2.gz RTTXJXAMAVVQOT-UHFFFAOYSA-N 1 3 287.407 2.418 10 0 CEAEHO Cc1oc(CN(C)CCC[NH+](C)C)cc1CNC(C)C ZINC000111150275 186360538 /nfs/dbraw/zinc/36/05/38/186360538.db2.gz YAMFSENFTOUJMD-UHFFFAOYSA-N 1 3 281.444 2.470 10 0 CEAEHO CC[NH2+][C@H](C)c1ccc(NC(=O)N(C)CCN(C)C)cc1 ZINC000111149675 186361182 /nfs/dbraw/zinc/36/11/82/186361182.db2.gz MTKHTSYPUNQYNF-CYBMUJFWSA-N 1 3 292.427 2.382 10 0 CEAEHO C[C@H]1CC(C)(C)C[C@@](C[NH3+])(N(C)CCN(C)C)C1 ZINC000111132453 186355979 /nfs/dbraw/zinc/35/59/79/186355979.db2.gz BIOCJZXENDPPHT-ZFWWWQNUSA-N 1 3 255.450 2.024 10 0 CEAEHO C[C@H]1CC(C)(C)C[C@@](CN)([N@H+](C)CCN(C)C)C1 ZINC000111132453 186355981 /nfs/dbraw/zinc/35/59/81/186355981.db2.gz BIOCJZXENDPPHT-ZFWWWQNUSA-N 1 3 255.450 2.024 10 0 CEAEHO C[C@H]1CC(C)(C)C[C@@](CN)([N@@H+](C)CCN(C)C)C1 ZINC000111132453 186355983 /nfs/dbraw/zinc/35/59/83/186355983.db2.gz BIOCJZXENDPPHT-ZFWWWQNUSA-N 1 3 255.450 2.024 10 0 CEAEHO C[C@H]1CC(C)(C)C[C@](CN)([N@H+](C)CCCN(C)C)C1 ZINC000111133345 186356025 /nfs/dbraw/zinc/35/60/25/186356025.db2.gz UBPXFSCPQRKCMU-GOEBONIOSA-N 1 3 269.477 2.414 10 0 CEAEHO C[C@H]1CC(C)(C)C[C@](CN)([N@@H+](C)CCCN(C)C)C1 ZINC000111133345 186356027 /nfs/dbraw/zinc/35/60/27/186356027.db2.gz UBPXFSCPQRKCMU-GOEBONIOSA-N 1 3 269.477 2.414 10 0 CEAEHO C[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N(C)CCN(C)C ZINC000111130124 186356706 /nfs/dbraw/zinc/35/67/06/186356706.db2.gz MQIFITJKQQJXNT-JOYOIKCWSA-N 1 3 275.849 2.283 10 0 CEAEHO CC[C@](C)(C[NH2+]C(C)(C)C)CN(C)CCN(C)C ZINC000111146957 186359556 /nfs/dbraw/zinc/35/95/56/186359556.db2.gz HFGJBIDTGQZXME-OAHLLOKOSA-N 1 3 257.466 2.284 10 0 CEAEHO CC[C@]1(C[N@H+](C)CC2CCOCC2)CCCNC1 ZINC000111179318 186366581 /nfs/dbraw/zinc/36/65/81/186366581.db2.gz QXSORKVTOFXBFF-HNNXBMFYSA-N 1 3 254.418 2.125 10 0 CEAEHO CC[C@]1(C[N@@H+](C)CC2CCOCC2)CCCNC1 ZINC000111179318 186366582 /nfs/dbraw/zinc/36/65/82/186366582.db2.gz QXSORKVTOFXBFF-HNNXBMFYSA-N 1 3 254.418 2.125 10 0 CEAEHO CC(C)C[NH2+]C[C@@]1(CN(C)C(C)C)CCCOC1 ZINC000111323991 186396581 /nfs/dbraw/zinc/39/65/81/186396581.db2.gz BTPHUANLFSQAMZ-OAHLLOKOSA-N 1 3 256.434 2.369 10 0 CEAEHO COCC[N@H+](CC(C)C)C[C@@]1(CNC2CC2)CCCOC1 ZINC000111326498 186398841 /nfs/dbraw/zinc/39/88/41/186398841.db2.gz SZYBHZYSSLNDHK-KRWDZBQOSA-N 1 3 298.471 2.140 10 0 CEAEHO COCC[N@@H+](CC(C)C)C[C@@]1(CNC2CC2)CCCOC1 ZINC000111326498 186398842 /nfs/dbraw/zinc/39/88/42/186398842.db2.gz SZYBHZYSSLNDHK-KRWDZBQOSA-N 1 3 298.471 2.140 10 0 CEAEHO COCCN(CC(C)C)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111326498 186398844 /nfs/dbraw/zinc/39/88/44/186398844.db2.gz SZYBHZYSSLNDHK-KRWDZBQOSA-N 1 3 298.471 2.140 10 0 CEAEHO CN(C)CCOc1cccc(N[C@@H]2CCC[NH2+]CC2)c1 ZINC000133682393 366246503 /nfs/dbraw/zinc/24/65/03/366246503.db2.gz DOQGCGVJMNHPMO-CQSZACIVSA-N 1 3 277.412 2.181 10 0 CEAEHO c1cc2c(cc1CN1CCN3CCCC[C@@H]3C1)C[NH2+]CC2 ZINC000211869144 370164779 /nfs/dbraw/zinc/16/47/79/370164779.db2.gz OGKUDRFZNNBNNO-GOSISDBHSA-N 1 3 285.435 2.002 10 0 CEAEHO Cc1cccc(NC[C@H]2CCN(C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000261705471 371707372 /nfs/dbraw/zinc/70/73/72/371707372.db2.gz CXCABVWRVHHJQO-NVXWUHKLSA-N 1 3 288.439 2.123 10 0 CEAEHO [NH3+][C@@H]1CC[C@H]2CN(CCOc3cccc(Cl)c3)C[C@@H]12 ZINC000261658569 371696132 /nfs/dbraw/zinc/69/61/32/371696132.db2.gz YWERCUJDMZJNLB-NILFDRSVSA-N 1 3 280.799 2.388 10 0 CEAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(OC(F)F)cc3)C[C@@H]12 ZINC000261844827 371748450 /nfs/dbraw/zinc/74/84/50/371748450.db2.gz WBETWCVKQSJNIF-IACUBPJLSA-N 1 3 282.334 2.457 10 0 CEAEHO CN(C)Cc1ccccc1NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080994395 177750460 /nfs/dbraw/zinc/75/04/60/177750460.db2.gz WATKSTPCMCZNLN-HNNXBMFYSA-N 1 3 275.396 2.219 10 0 CEAEHO CN[C@@H]1[C@H](C[N@@H+]2CCCC[C@@H]2CCO)C(C)(C)OC1(C)C ZINC000094427595 184796630 /nfs/dbraw/zinc/79/66/30/184796630.db2.gz IBPCMPLZLLYWPQ-QLFBSQMISA-N 1 3 298.471 2.015 10 0 CEAEHO CN[C@@H]1[C@H](C[N@H+]2CCCC[C@@H]2CCO)C(C)(C)OC1(C)C ZINC000094427595 184796631 /nfs/dbraw/zinc/79/66/31/184796631.db2.gz IBPCMPLZLLYWPQ-QLFBSQMISA-N 1 3 298.471 2.015 10 0 CEAEHO Cc1cc(N2CCC([N@H+](C)CCO)CC2)c2ccccc2n1 ZINC000272187568 135102022 /nfs/dbraw/zinc/10/20/22/135102022.db2.gz KIDSRGMHRVDHLV-UHFFFAOYSA-N 1 3 299.418 2.436 10 0 CEAEHO Cc1cc(N2CCC([N@@H+](C)CCO)CC2)c2ccccc2n1 ZINC000272187568 135102024 /nfs/dbraw/zinc/10/20/24/135102024.db2.gz KIDSRGMHRVDHLV-UHFFFAOYSA-N 1 3 299.418 2.436 10 0 CEAEHO FC1(F)CCCC[C@@H]1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000381719052 395176678 /nfs/dbraw/zinc/17/66/78/395176678.db2.gz RHXFGIHSIBUOPW-OLZOCXBDSA-N 1 3 258.356 2.497 10 0 CEAEHO CCN1CCC(CN)([NH+]2CCCCCCC2)CC1 ZINC000020265336 171122790 /nfs/dbraw/zinc/12/27/90/171122790.db2.gz AORLLJLQPVYBBH-UHFFFAOYSA-N 1 3 253.434 2.066 10 0 CEAEHO Cc1ccc(OC[C@H](CC[NH3+])N2CCCC2)c(C)c1 ZINC000020402077 171182356 /nfs/dbraw/zinc/18/23/56/171182356.db2.gz OTQHNOAFPFZANW-HNNXBMFYSA-N 1 3 262.397 2.495 10 0 CEAEHO CCCCCC[C@@](C)(C[NH3+])N1CCCN(C)CC1 ZINC000020520453 171233930 /nfs/dbraw/zinc/23/39/30/171233930.db2.gz IUEQAMGFAQIVGK-HNNXBMFYSA-N 1 3 255.450 2.312 10 0 CEAEHO C[C@H]1CCCC[N@@H+]1CCCNCCc1ccncc1 ZINC000037491933 173232790 /nfs/dbraw/zinc/23/27/90/173232790.db2.gz KYQJDXAJVIKZLF-HNNXBMFYSA-N 1 3 261.413 2.478 10 0 CEAEHO C[C@H]1CCCC[N@H+]1CCCNCCc1ccncc1 ZINC000037491933 173232791 /nfs/dbraw/zinc/23/27/91/173232791.db2.gz KYQJDXAJVIKZLF-HNNXBMFYSA-N 1 3 261.413 2.478 10 0 CEAEHO C[C@H]1CCCCN1CCC[NH2+]CCc1ccncc1 ZINC000037491933 173232792 /nfs/dbraw/zinc/23/27/92/173232792.db2.gz KYQJDXAJVIKZLF-HNNXBMFYSA-N 1 3 261.413 2.478 10 0 CEAEHO C[C@@H]1CCCC[N@@H+]1CCCNCCc1ccncc1 ZINC000037491932 173232957 /nfs/dbraw/zinc/23/29/57/173232957.db2.gz KYQJDXAJVIKZLF-OAHLLOKOSA-N 1 3 261.413 2.478 10 0 CEAEHO C[C@@H]1CCCC[N@H+]1CCCNCCc1ccncc1 ZINC000037491932 173232960 /nfs/dbraw/zinc/23/29/60/173232960.db2.gz KYQJDXAJVIKZLF-OAHLLOKOSA-N 1 3 261.413 2.478 10 0 CEAEHO C[C@@H]1CCCCN1CCC[NH2+]CCc1ccncc1 ZINC000037491932 173232962 /nfs/dbraw/zinc/23/29/62/173232962.db2.gz KYQJDXAJVIKZLF-OAHLLOKOSA-N 1 3 261.413 2.478 10 0 CEAEHO CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](N)C(C)(C)C2)CCO1 ZINC000261610391 287283238 /nfs/dbraw/zinc/28/32/38/287283238.db2.gz BEPHWAYVPBQGII-BFHYXJOUSA-N 1 3 254.418 2.251 10 0 CEAEHO CC[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](N)C(C)(C)C2)CCO1 ZINC000261610391 287283242 /nfs/dbraw/zinc/28/32/42/287283242.db2.gz BEPHWAYVPBQGII-BFHYXJOUSA-N 1 3 254.418 2.251 10 0 CEAEHO CC[C@@H]1C[C@@H](CN2CC[C@@H]([NH3+])C(C)(C)C2)CCO1 ZINC000261610391 287283245 /nfs/dbraw/zinc/28/32/45/287283245.db2.gz BEPHWAYVPBQGII-BFHYXJOUSA-N 1 3 254.418 2.251 10 0 CEAEHO Cc1cccc([C@@H](C[NH3+])N2CCN(C(C)C)CC2)c1C ZINC000043314682 175004553 /nfs/dbraw/zinc/00/45/53/175004553.db2.gz YKKJFEKVOYEVMJ-QGZVFWFLSA-N 1 3 275.440 2.329 10 0 CEAEHO CC[C@@H]([NH3+])[C@H](c1ccccn1)N(CCN(C)C)CC(C)C ZINC000043341175 175014949 /nfs/dbraw/zinc/01/49/49/175014949.db2.gz CUBRQQIRYIOYPJ-NVXWUHKLSA-N 1 3 292.471 2.380 10 0 CEAEHO CC[C@@H]([NH3+])[C@@H](c1ccncc1)N1CCN(C(C)(C)C)CC1 ZINC000043354132 175021714 /nfs/dbraw/zinc/02/17/14/175021714.db2.gz CGNHOZPHMHQCDI-HZPDHXFCSA-N 1 3 290.455 2.276 10 0 CEAEHO CCC[NH2+][C@H]1CCCC[C@@H]1N(C)C1CCN(C)CC1 ZINC000043815459 175112387 /nfs/dbraw/zinc/11/23/87/175112387.db2.gz OTWBFLYSHLSLPJ-HOTGVXAUSA-N 1 3 267.461 2.323 10 0 CEAEHO CCC[NH2+][C@H]1CCCCC[C@H]1N1CCCN(C)CC1 ZINC000043818532 175113918 /nfs/dbraw/zinc/11/39/18/175113918.db2.gz DLAXFWGAKYGDHE-JKSUJKDBSA-N 1 3 267.461 2.325 10 0 CEAEHO CCN[C@H]1CCC2(C[C@H]1[N@@H+]1CCC[C@@H]1CC)OCCO2 ZINC000043904632 175122475 /nfs/dbraw/zinc/12/24/75/175122475.db2.gz KONKTQWTHLKJTI-SOUVJXGZSA-N 1 3 282.428 2.135 10 0 CEAEHO CCN[C@H]1CCC2(C[C@H]1[N@H+]1CCC[C@@H]1CC)OCCO2 ZINC000043904632 175122476 /nfs/dbraw/zinc/12/24/76/175122476.db2.gz KONKTQWTHLKJTI-SOUVJXGZSA-N 1 3 282.428 2.135 10 0 CEAEHO C[NH2+][C@H](CN1CCN(C(C)(C)C)CC1)c1ccccc1 ZINC000043965436 175126643 /nfs/dbraw/zinc/12/66/43/175126643.db2.gz TWBUVPDGEUFYGA-MRXNPFEDSA-N 1 3 275.440 2.363 10 0 CEAEHO C[NH2+][C@H]1CCCCCC[C@@H]1N1CCN(CC2CC2)CC1 ZINC000043967850 175129227 /nfs/dbraw/zinc/12/92/27/175129227.db2.gz DYSRLXXKKWSVDD-IRXDYDNUSA-N 1 3 279.472 2.325 10 0 CEAEHO CCN[C@H]1CCOC[C@@H]1[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073256 175302864 /nfs/dbraw/zinc/30/28/64/175302864.db2.gz ZRNNDKIDIJSTHT-XHSDSOJGSA-N 1 3 266.429 2.408 10 0 CEAEHO CCN[C@H]1CCOC[C@@H]1[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073256 175302865 /nfs/dbraw/zinc/30/28/65/175302865.db2.gz ZRNNDKIDIJSTHT-XHSDSOJGSA-N 1 3 266.429 2.408 10 0 CEAEHO C(NC1CC1)[C@@]1(C[NH+](CC2CC2)CC2CC2)CCOC1 ZINC000070507082 175959603 /nfs/dbraw/zinc/95/96/03/175959603.db2.gz HAPJRQNVQJNPAV-QGZVFWFLSA-N 1 3 278.440 2.267 10 0 CEAEHO CN(CCC[NH+](C)C)c1nc2ccccc2cc1CN ZINC000070943316 176015656 /nfs/dbraw/zinc/01/56/56/176015656.db2.gz USAANNVJSQWVQJ-UHFFFAOYSA-N 1 3 272.396 2.081 10 0 CEAEHO CC[C@H]1CCCC[C@]1(C[NH3+])N(CCOC)[C@@H](C)COC ZINC000071161956 176046089 /nfs/dbraw/zinc/04/60/89/176046089.db2.gz HYZQBFNCZDTOBG-HRCADAONSA-N 1 3 286.460 2.267 10 0 CEAEHO CC[C@H]1CCCC[C@@]1(C[NH3+])N1CCN(C(C)C)CC1 ZINC000071161672 176046438 /nfs/dbraw/zinc/04/64/38/176046438.db2.gz VVDXPDZVMUIMFV-HOTGVXAUSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@H]1CCCC[C@@]1(CN)[NH+]1CCN(C(C)C)CC1 ZINC000071161672 176046440 /nfs/dbraw/zinc/04/64/40/176046440.db2.gz VVDXPDZVMUIMFV-HOTGVXAUSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@H]1CC[C@H](CN)[C@H]([N@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071188213 176062749 /nfs/dbraw/zinc/06/27/49/176062749.db2.gz RXQVDDFLLNQEQT-ZJIFWQFVSA-N 1 3 267.461 2.024 10 0 CEAEHO CC[C@H]1CC[C@H](CN)[C@H]([N@@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071188213 176062750 /nfs/dbraw/zinc/06/27/50/176062750.db2.gz RXQVDDFLLNQEQT-ZJIFWQFVSA-N 1 3 267.461 2.024 10 0 CEAEHO Cc1ccc([C@H](N)CN(C)C[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC000071188774 176064029 /nfs/dbraw/zinc/06/40/29/176064029.db2.gz HNQUNFIVOFQYTE-NVXWUHKLSA-N 1 3 275.440 2.187 10 0 CEAEHO Cc1ccc([C@H](N)CN(C)C[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC000071188774 176064030 /nfs/dbraw/zinc/06/40/30/176064030.db2.gz HNQUNFIVOFQYTE-NVXWUHKLSA-N 1 3 275.440 2.187 10 0 CEAEHO NCc1cc2ccccc2nc1OCC[NH+]1CCCC1 ZINC000071385921 176147551 /nfs/dbraw/zinc/14/75/51/176147551.db2.gz BXTJCUCCOJOQGN-UHFFFAOYSA-N 1 3 271.364 2.168 10 0 CEAEHO CCC[C@@H](CC[NH3+])CCC(=O)NC1CCN(C2CC2)CC1 ZINC000079237755 177453087 /nfs/dbraw/zinc/45/30/87/177453087.db2.gz BJESPICVLCCWJP-CQSZACIVSA-N 1 3 295.471 2.275 10 0 CEAEHO CCC1CCC([N@H+](CCO)C[C@H]2CCCNC2)CC1 ZINC000261999468 276221971 /nfs/dbraw/zinc/22/19/71/276221971.db2.gz TZDVSTJHTLYZHR-PCKAHOCUSA-N 1 3 268.445 2.249 10 0 CEAEHO CCC1CCC([N@@H+](CCO)C[C@H]2CCCNC2)CC1 ZINC000261999468 276221972 /nfs/dbraw/zinc/22/19/72/276221972.db2.gz TZDVSTJHTLYZHR-PCKAHOCUSA-N 1 3 268.445 2.249 10 0 CEAEHO CCN1CCC[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000252775088 279323528 /nfs/dbraw/zinc/32/35/28/279323528.db2.gz JYYMZFJPKPVCIS-MAZHCROVSA-N 1 3 259.397 2.205 10 0 CEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)C1 ZINC000246505793 280297785 /nfs/dbraw/zinc/29/77/85/280297785.db2.gz SIXCDIGAVJWVGN-LJIZCISZSA-N 1 3 295.471 2.093 10 0 CEAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)C1 ZINC000246505793 280297789 /nfs/dbraw/zinc/29/77/89/280297789.db2.gz SIXCDIGAVJWVGN-LJIZCISZSA-N 1 3 295.471 2.093 10 0 CEAEHO C[C@H](CN(C)Cc1ccccc1)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000516272848 313086347 /nfs/dbraw/zinc/08/63/47/313086347.db2.gz MZURLLMHXHEIDL-RYRKJORJSA-N 1 3 289.467 2.485 10 0 CEAEHO C[C@H](NC[C@@H](c1ccccc1)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000577204739 314352268 /nfs/dbraw/zinc/35/22/68/314352268.db2.gz DDAUDCZHAZPHQC-UAGQMJEPSA-N 1 3 275.440 2.267 10 0 CEAEHO CC(C)C[NH2+]CCCCN1CCO[C@@H]2CCC[C@@H]21 ZINC000052540110 519743234 /nfs/dbraw/zinc/74/32/34/519743234.db2.gz GLKAKDZZRSXVKD-LSDHHAIUSA-N 1 3 254.418 2.266 10 0 CEAEHO CCCN1CCN(C[C@@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054559445 519858538 /nfs/dbraw/zinc/85/85/38/519858538.db2.gz YNLMSIZZWMTLDD-IKGGRYGDSA-N 1 3 281.488 2.414 10 0 CEAEHO CCC[NH2+]CC1(CN(CC)[C@@H](C)COC)CCOCC1 ZINC000052182330 519909904 /nfs/dbraw/zinc/90/99/04/519909904.db2.gz QSEHKMRFHVVPBT-HNNXBMFYSA-N 1 3 286.460 2.140 10 0 CEAEHO CCC[NH2+]CCC[C@H](C)N1CCO[C@H]2CCC[C@@H]21 ZINC000052540298 519913379 /nfs/dbraw/zinc/91/33/79/519913379.db2.gz FSNLPHSMRQXNIC-KKUMJFAQSA-N 1 3 254.418 2.408 10 0 CEAEHO CC[NH2+]CC1(CN2CCC[C@H](C)C2)CCOCC1 ZINC000052180790 519913199 /nfs/dbraw/zinc/91/31/99/519913199.db2.gz WDCACHYJPCOZBK-AWEZNQCLSA-N 1 3 254.418 2.125 10 0 CEAEHO CCC[NH2+][C@@H](C)[C@@H](C)N1CCN([C@@H](C)CC)CC1 ZINC000055066156 519987113 /nfs/dbraw/zinc/98/71/13/519987113.db2.gz GDLUDOWBLSIWTP-SOUVJXGZSA-N 1 3 255.450 2.179 10 0 CEAEHO CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1CN1CCC[C@@H]1CO ZINC000054560321 520120831 /nfs/dbraw/zinc/12/08/31/520120831.db2.gz LYLZDKCRXVEJHH-QBPKDAKJSA-N 1 3 282.472 2.494 10 0 CEAEHO CCN1CCC(N(C)c2nc(C)c([C@H](C)[NH3+])s2)CC1 ZINC000054897678 521567570 /nfs/dbraw/zinc/56/75/70/521567570.db2.gz ZXCOCIJOWNQTMW-JTQLQIEISA-N 1 3 282.457 2.392 10 0 CEAEHO CCCN(CCN(C)C)[C@H](C[NH3+])c1ccc(F)cc1C ZINC000050579219 521658060 /nfs/dbraw/zinc/65/80/60/521658060.db2.gz PZPHESCCCYHPSC-MRXNPFEDSA-N 1 3 281.419 2.408 10 0 CEAEHO CCCN(CCN(C)C)[C@H](C)CC[NH2+]CC(C)C ZINC000052544304 521657374 /nfs/dbraw/zinc/65/73/74/521657374.db2.gz URPYARIKJQUMTK-OAHLLOKOSA-N 1 3 257.466 2.284 10 0 CEAEHO CC(C)N1CCN(CC[NH2+][C@H](C)c2cccs2)CC1 ZINC000053382804 517440433 /nfs/dbraw/zinc/44/04/33/517440433.db2.gz HFRLIKTZFHCXGY-CQSZACIVSA-N 1 3 281.469 2.425 10 0 CEAEHO C(CC1CC[NH2+]CC1)CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000050953920 518383949 /nfs/dbraw/zinc/38/39/49/518383949.db2.gz IEFXGTQNGPUAPD-JKSUJKDBSA-N 1 3 266.429 2.410 10 0 CEAEHO CC(C)CC[NH2+]C[C@H](C)N1CCC[C@@H]1CN(C)C ZINC000061655156 519663493 /nfs/dbraw/zinc/66/34/93/519663493.db2.gz GHADSRHQBAUYTE-LSDHHAIUSA-N 1 3 255.450 2.037 10 0 CEAEHO CC(C)CN(CCN(C)C)[C@H](C[NH2+]C1CC1)C(C)C ZINC000052503249 519716627 /nfs/dbraw/zinc/71/66/27/519716627.db2.gz IITCNBDSGOJSQC-MRXNPFEDSA-N 1 3 269.477 2.283 10 0 CEAEHO CC(C)C[N@H+](CCN(C)C)[C@@H](CN)CCc1ccccc1 ZINC000061625067 519716729 /nfs/dbraw/zinc/71/67/29/519716729.db2.gz GDXZFDZCYNBHNN-GOSISDBHSA-N 1 3 291.483 2.466 10 0 CEAEHO CC(C)C[N@@H+](CCN(C)C)[C@@H](CN)CCc1ccccc1 ZINC000061625067 519716730 /nfs/dbraw/zinc/71/67/30/519716730.db2.gz GDXZFDZCYNBHNN-GOSISDBHSA-N 1 3 291.483 2.466 10 0 CEAEHO CC(C)CN1CCN(CC[NH2+]Cc2ccccc2)CC1 ZINC000055076018 519726155 /nfs/dbraw/zinc/72/61/55/519726155.db2.gz DVSNICRNRUTCFW-UHFFFAOYSA-N 1 3 275.440 2.050 10 0 CEAEHO CC(C)CN1CCN([C@@H](c2ccccc2F)[C@@H](C)[NH3+])CC1 ZINC000055077394 519727690 /nfs/dbraw/zinc/72/76/90/519727690.db2.gz WIFHVSVJEVCZAG-RHSMWYFYSA-N 1 3 293.430 2.488 10 0 CEAEHO CC(C)CN1CCN([C@@]2(C[NH3+])CCC[C@H](C)C2)CC1 ZINC000055078408 519728077 /nfs/dbraw/zinc/72/80/77/519728077.db2.gz SONIWCVVCDRQQN-HOTGVXAUSA-N 1 3 267.461 2.168 10 0 CEAEHO CC(C)C[NH2+]Cc1cnc(N2CCC[C@@H]2CN(C)C)s1 ZINC000061655459 519748355 /nfs/dbraw/zinc/74/83/55/519748355.db2.gz MQMQIQMVRFHOJP-CYBMUJFWSA-N 1 3 296.484 2.419 10 0 CEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050943325 519775147 /nfs/dbraw/zinc/77/51/47/519775147.db2.gz WZEWCSBCJOAWQJ-GJZGRUSLSA-N 1 3 283.460 2.001 10 0 CEAEHO CC(C)C[C@@H](CN(C)C)NC1=[NH+]C(C)(C)CS1 ZINC000049559159 519775753 /nfs/dbraw/zinc/77/57/53/519775753.db2.gz OHRKOZPRFFOGGE-NSHDSACASA-N 1 3 257.447 2.434 10 0 CEAEHO CCC1CC[NH+](CCCC[C@](C)(NC2CC2)C(N)=O)CC1 ZINC000045428348 519859012 /nfs/dbraw/zinc/85/90/12/519859012.db2.gz YPEJKBOAZRXQLG-KRWDZBQOSA-N 1 3 295.471 2.275 10 0 CEAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCCC[C@@H]1O ZINC000054628646 519908423 /nfs/dbraw/zinc/90/84/23/519908423.db2.gz ZOUWJTOYNWXVRT-BMRXWSCTSA-N 1 3 266.429 2.285 10 0 CEAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCC[C@@H]1O ZINC000054628646 519908424 /nfs/dbraw/zinc/90/84/24/519908424.db2.gz ZOUWJTOYNWXVRT-BMRXWSCTSA-N 1 3 266.429 2.285 10 0 CEAEHO CCC[NH2+]CC[C@@H](C)N1CCN(C(C)(C)C)CC1 ZINC000052571715 519918608 /nfs/dbraw/zinc/91/86/08/519918608.db2.gz HIBXIMZEZDTONJ-CQSZACIVSA-N 1 3 255.450 2.181 10 0 CEAEHO CCCNCc1cc(N2CCC[C@H]2C[NH+](C)C)ccn1 ZINC000061654174 519948918 /nfs/dbraw/zinc/94/89/18/519948918.db2.gz LECQXHLXYLDKJC-INIZCTEOSA-N 1 3 276.428 2.112 10 0 CEAEHO CC[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2cccs2)O1 ZINC000052456353 519977107 /nfs/dbraw/zinc/97/71/07/519977107.db2.gz BVKVGVLMPYIJGR-OLZOCXBDSA-N 1 3 268.426 2.337 10 0 CEAEHO CC[NH2+]Cc1cccc(N2CCN([C@@H](C)CC)CC2)n1 ZINC000055073525 520003074 /nfs/dbraw/zinc/00/30/74/520003074.db2.gz IRCJIQYVBJNGRJ-AWEZNQCLSA-N 1 3 276.428 2.112 10 0 CEAEHO CC1(C)CC[NH+](C[C@@H](O)COc2ccccc2CN)CC1 ZINC000061818795 520377859 /nfs/dbraw/zinc/37/78/59/520377859.db2.gz CWJKPLRSMMKUAQ-OAHLLOKOSA-N 1 3 292.423 2.007 10 0 CEAEHO CCN(CC1CC1)[C@@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC000069237262 520964253 /nfs/dbraw/zinc/96/42/53/520964253.db2.gz GHJUCKCZJSINPD-LBPRGKRZSA-N 1 3 275.396 2.204 10 0 CEAEHO CCCN(CC1(C[NH2+]CC)CCOCC1)C1CC1 ZINC000052181420 521618525 /nfs/dbraw/zinc/61/85/25/521618525.db2.gz LYQVAORTTMXLTO-UHFFFAOYSA-N 1 3 254.418 2.267 10 0 CEAEHO C[NH+](C)C[C@@H]1CCCN1[C@@H](CN)c1ccc(Cl)s1 ZINC000061642010 521843010 /nfs/dbraw/zinc/84/30/10/521843010.db2.gz BHEKJIXVYPQTAO-QWRGUYRKSA-N 1 3 287.860 2.427 10 0 CEAEHO CN(C)C[C@H]1CCC[N@@H+]1[C@@](C)(CN)CCc1ccccc1 ZINC000061642977 521873965 /nfs/dbraw/zinc/87/39/65/521873965.db2.gz ONLRNBTUFGKEKH-QZTJIDSGSA-N 1 3 289.467 2.363 10 0 CEAEHO CN(C)C[C@H]1CCC[N@H+]1[C@@](C)(CN)CCc1ccccc1 ZINC000061642977 521873967 /nfs/dbraw/zinc/87/39/67/521873967.db2.gz ONLRNBTUFGKEKH-QZTJIDSGSA-N 1 3 289.467 2.363 10 0 CEAEHO C[NH2+]CCC1CCN(Cc2ccc(O)c(OC)c2)CC1 ZINC000070188773 521985582 /nfs/dbraw/zinc/98/55/82/521985582.db2.gz NTQDKWFNVGZWQY-UHFFFAOYSA-N 1 3 278.396 2.222 10 0 CEAEHO C[NH2+]CCCCO[C@@H]1CCN(Cc2ccccc2)C1 ZINC000061702392 521995044 /nfs/dbraw/zinc/99/50/44/521995044.db2.gz KGAFXOKCKXAOBH-MRXNPFEDSA-N 1 3 262.397 2.277 10 0 CEAEHO C[NH2+]CCC[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000052418220 521998318 /nfs/dbraw/zinc/99/83/18/521998318.db2.gz FCXIVZZOUSFXQX-CQSZACIVSA-N 1 3 279.403 2.336 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@H](C)C[NH2+]C(C)C)CC1 ZINC000055074718 522124870 /nfs/dbraw/zinc/12/48/70/522124870.db2.gz LYRJHTHJKQVICC-HUUCEWRRSA-N 1 3 255.450 2.037 10 0 CEAEHO C[NH2+]Cc1ccccc1CN(C)C[C@@H]1CCCCO1 ZINC000052507702 522133338 /nfs/dbraw/zinc/13/33/38/522133338.db2.gz ACHZZLWDUUQVSL-INIZCTEOSA-N 1 3 262.397 2.407 10 0 CEAEHO C[NH2+]Cc1ccccc1CN(C)[C@H]1CCSC1 ZINC000052453643 522133673 /nfs/dbraw/zinc/13/36/73/522133673.db2.gz TXVJPUWQXJBRIC-AWEZNQCLSA-N 1 3 250.411 2.343 10 0 CEAEHO CNCc1coc(CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000052484224 522148719 /nfs/dbraw/zinc/14/87/19/522148719.db2.gz AJEPTFNZFAYCBX-UHFFFAOYSA-N 1 3 291.439 2.449 10 0 CEAEHO CN(Cc1ccc(Cl)cc1)C[C@@H]1CC[C@H](C[NH3+])O1 ZINC000052346359 523227806 /nfs/dbraw/zinc/22/78/06/523227806.db2.gz QBEVSVZHWVIKQR-KGLIPLIRSA-N 1 3 268.788 2.278 10 0 CEAEHO CC[C@@H]1CC[C@H](CN)[C@H]([N@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061642537 523367818 /nfs/dbraw/zinc/36/78/18/523367818.db2.gz USWSIGFDDOHJFA-KLHDSHLOSA-N 1 3 267.461 2.166 10 0 CEAEHO CC[C@@H]1CC[C@H](CN)[C@H]([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061642537 523367808 /nfs/dbraw/zinc/36/78/08/523367808.db2.gz USWSIGFDDOHJFA-KLHDSHLOSA-N 1 3 267.461 2.166 10 0 CEAEHO COCC[N@H+]([C@@H](C)CCNC1CC1)[C@@H](C)C1CC1 ZINC000052545475 523780424 /nfs/dbraw/zinc/78/04/24/523780424.db2.gz GVOOMEFREBTRIA-STQMWFEESA-N 1 3 254.418 2.264 10 0 CEAEHO COCC[N@@H+]([C@@H](C)CCNC1CC1)[C@@H](C)C1CC1 ZINC000052545475 523780430 /nfs/dbraw/zinc/78/04/30/523780430.db2.gz GVOOMEFREBTRIA-STQMWFEESA-N 1 3 254.418 2.264 10 0 CEAEHO CN1CCC(Oc2cccc(Cl)c2C(N)=[NH2+])CC1 ZINC000052907628 523783028 /nfs/dbraw/zinc/78/30/28/523783028.db2.gz PPJQITSYICGAHW-UHFFFAOYSA-N 1 3 267.760 2.097 10 0 CEAEHO CC[C@H](C)N1CCN(CC[C@H]([NH3+])C(C)(C)C)CC1 ZINC000055072427 523954341 /nfs/dbraw/zinc/95/43/41/523954341.db2.gz YWOVBCBHZKTBKE-KBPBESRZSA-N 1 3 255.450 2.166 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@H]([NH3+])c2ccc(OC)cc2)CC1 ZINC000055065439 523955306 /nfs/dbraw/zinc/95/53/06/523955306.db2.gz LNNXBKFBPUPNQC-YOEHRIQHSA-N 1 3 291.439 2.111 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C[NH3+])CCc2ccccc2)CC1 ZINC000061625178 523958391 /nfs/dbraw/zinc/95/83/91/523958391.db2.gz XPZZCSJYIXTGGL-FUHWJXTLSA-N 1 3 289.467 2.363 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C[NH3+])c2sccc2C)CC1 ZINC000055064041 523959023 /nfs/dbraw/zinc/95/90/23/523959023.db2.gz SDBKNVAAEVDFKH-UONOGXRCSA-N 1 3 281.469 2.472 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C[NH3+])c2ccc(C)cc2)CC1 ZINC000055063763 523959332 /nfs/dbraw/zinc/95/93/32/523959332.db2.gz XYWINYJDFLLRBJ-DOTOQJQBSA-N 1 3 275.440 2.411 10 0 CEAEHO CC[C@H](C)[NH2+]C[C@H](C)N1CCN(CC(C)C)CC1 ZINC000055075909 524003742 /nfs/dbraw/zinc/00/37/42/524003742.db2.gz CYKROUVJHSLXJH-GJZGRUSLSA-N 1 3 255.450 2.037 10 0 CEAEHO C[C@H]([NH3+])CCC(=O)Nc1cccc(CN2CCCC2)c1 ZINC000070315486 524832738 /nfs/dbraw/zinc/83/27/38/524832738.db2.gz BXLQVHGYBCHEEU-ZDUSSCGKSA-N 1 3 275.396 2.348 10 0 CEAEHO C[C@H](c1ccccc1)[C@H](CN)[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061642807 526104768 /nfs/dbraw/zinc/10/47/68/526104768.db2.gz PYDCMHBZMMPLFG-OIISXLGYSA-N 1 3 275.440 2.143 10 0 CEAEHO C[C@H](c1ccccc1)[C@H](CN)[N@H+]1CCC[C@@H]1CN(C)C ZINC000061642807 526104774 /nfs/dbraw/zinc/10/47/74/526104774.db2.gz PYDCMHBZMMPLFG-OIISXLGYSA-N 1 3 275.440 2.143 10 0 CEAEHO Cc1nc(N(C)[C@@H]2CCCN(C)C2)sc1C[NH2+]C(C)C ZINC000054998287 526951551 /nfs/dbraw/zinc/95/15/51/526951551.db2.gz GPQHWANVFGQQCC-CYBMUJFWSA-N 1 3 296.484 2.480 10 0 CEAEHO [NH3+]Cc1ccc(CN2CCC[C@@H]2CCCO)c(F)c1 ZINC000052758460 527253252 /nfs/dbraw/zinc/25/32/52/527253252.db2.gz VSONPLQREYPMNK-CQSZACIVSA-N 1 3 266.360 2.021 10 0 CEAEHO Cc1cc(C)cc([C@@H](O)C[N@@H+](C)C[C@@H]2CCN(C)C2)c1 ZINC000133474566 652630978 /nfs/dbraw/zinc/63/09/78/652630978.db2.gz DNNNZGSERCMJKH-WBVHZDCISA-N 1 3 276.424 2.220 10 0 CEAEHO Cc1cc(C)cc([C@@H](O)C[N@H+](C)C[C@@H]2CCN(C)C2)c1 ZINC000133474566 652630981 /nfs/dbraw/zinc/63/09/81/652630981.db2.gz DNNNZGSERCMJKH-WBVHZDCISA-N 1 3 276.424 2.220 10 0 CEAEHO Cc1c(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cnn1C ZINC000336720593 365784403 /nfs/dbraw/zinc/78/44/03/365784403.db2.gz UILGGJYAAXGFCG-KRWDZBQOSA-N 1 3 298.434 2.340 10 0 CEAEHO CCC[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N(C)C ZINC000128359958 365785561 /nfs/dbraw/zinc/78/55/61/365785561.db2.gz AJYBUAPKLGVKLG-CYBMUJFWSA-N 1 3 283.460 2.142 10 0 CEAEHO CC(C)CN1CCN(CCC2([NH3+])CCCCC2)CC1 ZINC000084188849 178821680 /nfs/dbraw/zinc/82/16/80/178821680.db2.gz WAVDJRXNXRACQE-UHFFFAOYSA-N 1 3 267.461 2.312 10 0 CEAEHO CC(C)(CCN1CCN(c2ccccc2)CC1)C(N)=[NH2+] ZINC000087593344 535028338 /nfs/dbraw/zinc/02/83/38/535028338.db2.gz MBAPIEVQISKAGV-UHFFFAOYSA-N 1 3 274.412 2.161 10 0 CEAEHO C[NH2+]CCc1ccc(CN2CCS[C@H](C)C2)cc1 ZINC000097806969 185670225 /nfs/dbraw/zinc/67/02/25/185670225.db2.gz PYQKRGIJGVTKMX-CYBMUJFWSA-N 1 3 264.438 2.386 10 0 CEAEHO CC[C@H](C)[C@@H]1C[NH2+][C@H](C2CC2)CN1CCCn1ccnc1 ZINC000085524861 179089415 /nfs/dbraw/zinc/08/94/15/179089415.db2.gz KPDWCPFXHHQXMW-XIRDDKMYSA-N 1 3 290.455 2.372 10 0 CEAEHO C(C1CCOCC1)[N@@H+]1CCCNC2(CCCC2)C1 ZINC000085612732 179102631 /nfs/dbraw/zinc/10/26/31/179102631.db2.gz CHLADMBVVARUAX-UHFFFAOYSA-N 1 3 252.402 2.021 10 0 CEAEHO C(C1CCOCC1)[N@H+]1CCCNC2(CCCC2)C1 ZINC000085612732 179102633 /nfs/dbraw/zinc/10/26/33/179102633.db2.gz CHLADMBVVARUAX-UHFFFAOYSA-N 1 3 252.402 2.021 10 0 CEAEHO CO[C@@H]1CCC[C@@H](N2CCC[NH2+][C@H](C3CC3)C2)C1 ZINC000085616383 179104081 /nfs/dbraw/zinc/10/40/81/179104081.db2.gz HPELTXITXHJFGJ-KFWWJZLASA-N 1 3 252.402 2.018 10 0 CEAEHO C[C@H]1CCNC2(CCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085623377 179105442 /nfs/dbraw/zinc/10/54/42/179105442.db2.gz VQEIUJLLVQAQFJ-KBPBESRZSA-N 1 3 252.402 2.020 10 0 CEAEHO C[C@H]1CCNC2(CCCC2)C[N@H+]1C[C@@H]1CCOC1 ZINC000085623377 179105444 /nfs/dbraw/zinc/10/54/44/179105444.db2.gz VQEIUJLLVQAQFJ-KBPBESRZSA-N 1 3 252.402 2.020 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@@H+]([C@@H]2CN3CCC2CC3)[C@H](C(C)C)CN1 ZINC000086152514 179240984 /nfs/dbraw/zinc/24/09/84/179240984.db2.gz WBWGRBALPNLNLJ-LEUOFYLZSA-N 1 3 293.499 2.425 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@H+]([C@@H]2CN3CCC2CC3)[C@H](C(C)C)CN1 ZINC000086152514 179240987 /nfs/dbraw/zinc/24/09/87/179240987.db2.gz WBWGRBALPNLNLJ-LEUOFYLZSA-N 1 3 293.499 2.425 10 0 CEAEHO CC[C@@H]1CN[C@H](C(C)C)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086173701 179244217 /nfs/dbraw/zinc/24/42/17/179244217.db2.gz QQPPEAIKAZMYBL-OAGGEKHMSA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@@H]1CN[C@H](C(C)C)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086173701 179244219 /nfs/dbraw/zinc/24/42/19/179244219.db2.gz QQPPEAIKAZMYBL-OAGGEKHMSA-N 1 3 267.461 2.037 10 0 CEAEHO C[C@@H]1CN[C@](C)(c2ccccc2)CN1CCC[NH+](C)C ZINC000086217749 179249794 /nfs/dbraw/zinc/24/97/94/179249794.db2.gz KDSDVBJJHMXMNZ-WBVHZDCISA-N 1 3 275.440 2.147 10 0 CEAEHO CC(C)[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1CCCN(C)C ZINC000086217781 179249921 /nfs/dbraw/zinc/24/99/21/179249921.db2.gz IWDZIDORVNWPAD-GJZGRUSLSA-N 1 3 269.477 2.283 10 0 CEAEHO CC(C)[C@@H]1CN[C@H](C(C)(C)C)C[N@H+]1CCCN(C)C ZINC000086217781 179249924 /nfs/dbraw/zinc/24/99/24/179249924.db2.gz IWDZIDORVNWPAD-GJZGRUSLSA-N 1 3 269.477 2.283 10 0 CEAEHO CC[C@@H]1CNC(CC)(CC)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223094 179250599 /nfs/dbraw/zinc/25/05/99/179250599.db2.gz OUPMFZNXFDWWRO-HUUCEWRRSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@@H]1CNC(CC)(CC)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223094 179250600 /nfs/dbraw/zinc/25/06/00/179250600.db2.gz OUPMFZNXFDWWRO-HUUCEWRRSA-N 1 3 267.461 2.181 10 0 CEAEHO CCN1CC[C@H](C[N@@H+]2C[C@H](C3CC3)NC[C@@H]2C(C)C)C1 ZINC000086223018 179251284 /nfs/dbraw/zinc/25/12/84/179251284.db2.gz NDESTCBSEFKPDJ-USXIJHARSA-N 1 3 279.472 2.037 10 0 CEAEHO CCN1CC[C@H](C[N@H+]2C[C@H](C3CC3)NC[C@@H]2C(C)C)C1 ZINC000086223018 179251286 /nfs/dbraw/zinc/25/12/86/179251286.db2.gz NDESTCBSEFKPDJ-USXIJHARSA-N 1 3 279.472 2.037 10 0 CEAEHO C[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259261 179258510 /nfs/dbraw/zinc/25/85/10/179258510.db2.gz NMODZGHGFFQCMW-KFWWJZLASA-N 1 3 267.461 2.037 10 0 CEAEHO C[C@@H]1CN[C@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259261 179258512 /nfs/dbraw/zinc/25/85/12/179258512.db2.gz NMODZGHGFFQCMW-KFWWJZLASA-N 1 3 267.461 2.037 10 0 CEAEHO CC(C)(C)[C@H]1CN(C[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000086292487 179266301 /nfs/dbraw/zinc/26/63/01/179266301.db2.gz IINTYZJAQGLXCT-UONOGXRCSA-N 1 3 254.418 2.123 10 0 CEAEHO COCCCC[N@@H+]1CCCNC2(CCCCC2)C1 ZINC000086291736 179266666 /nfs/dbraw/zinc/26/66/66/179266666.db2.gz RHCMKBHXNCFHTK-UHFFFAOYSA-N 1 3 254.418 2.411 10 0 CEAEHO COCCCC[N@H+]1CCCNC2(CCCCC2)C1 ZINC000086291736 179266667 /nfs/dbraw/zinc/26/66/67/179266667.db2.gz RHCMKBHXNCFHTK-UHFFFAOYSA-N 1 3 254.418 2.411 10 0 CEAEHO COCCCCN1CCC[NH2+]C2(CCCCC2)C1 ZINC000086291736 179266669 /nfs/dbraw/zinc/26/66/69/179266669.db2.gz RHCMKBHXNCFHTK-UHFFFAOYSA-N 1 3 254.418 2.411 10 0 CEAEHO CCC1(CC)C[N@@H+]([C@@H]2CCC[C@@H]2OC)CCCN1 ZINC000086293597 179267823 /nfs/dbraw/zinc/26/78/23/179267823.db2.gz PHDBOCQQZVTNPJ-KGLIPLIRSA-N 1 3 254.418 2.408 10 0 CEAEHO CCC1(CC)C[N@H+]([C@@H]2CCC[C@@H]2OC)CCCN1 ZINC000086293597 179267826 /nfs/dbraw/zinc/26/78/26/179267826.db2.gz PHDBOCQQZVTNPJ-KGLIPLIRSA-N 1 3 254.418 2.408 10 0 CEAEHO CCC1(CC)CN([C@@H]2CCC[C@@H]2OC)CCC[NH2+]1 ZINC000086293597 179267827 /nfs/dbraw/zinc/26/78/27/179267827.db2.gz PHDBOCQQZVTNPJ-KGLIPLIRSA-N 1 3 254.418 2.408 10 0 CEAEHO CC(C)Cn1c2ccc(C[NH3+])cc2nc1CCN(C)C ZINC000086641697 179315122 /nfs/dbraw/zinc/31/51/22/179315122.db2.gz GMPACNZIWAGUMO-UHFFFAOYSA-N 1 3 274.412 2.255 10 0 CEAEHO CCN1CCC[C@](CN)([N@H+](CC)C2CCCC2)CC1 ZINC000086847024 179357015 /nfs/dbraw/zinc/35/70/15/179357015.db2.gz FOMZQTVUBKSBFL-INIZCTEOSA-N 1 3 267.461 2.454 10 0 CEAEHO CCN1CCC[C@](CN)([N@@H+](CC)C2CCCC2)CC1 ZINC000086847024 179357017 /nfs/dbraw/zinc/35/70/17/179357017.db2.gz FOMZQTVUBKSBFL-INIZCTEOSA-N 1 3 267.461 2.454 10 0 CEAEHO CCCN1CCC[C@H]([NH2+][C@@H](C)Cn2ccnc2)CC1 ZINC000086840515 179353450 /nfs/dbraw/zinc/35/34/50/179353450.db2.gz MWZBLUXOTOQWFV-GJZGRUSLSA-N 1 3 264.417 2.126 10 0 CEAEHO CC[N@@H+]1CCC[C@H](NCCc2nccs2)CC1 ZINC000086844780 179354470 /nfs/dbraw/zinc/35/44/70/179354470.db2.gz QICJLMQPMRYTPF-LBPRGKRZSA-N 1 3 253.415 2.150 10 0 CEAEHO CC[N@H+]1CCC[C@H](NCCc2nccs2)CC1 ZINC000086844780 179354471 /nfs/dbraw/zinc/35/44/71/179354471.db2.gz QICJLMQPMRYTPF-LBPRGKRZSA-N 1 3 253.415 2.150 10 0 CEAEHO CCN1CCC[C@H]([NH2+]CCc2nccs2)CC1 ZINC000086844780 179354473 /nfs/dbraw/zinc/35/44/73/179354473.db2.gz QICJLMQPMRYTPF-LBPRGKRZSA-N 1 3 253.415 2.150 10 0 CEAEHO CC(C)N1CCC[C@]([NH2+]C2CCCCC2)(C(N)=O)CC1 ZINC000086849628 179358196 /nfs/dbraw/zinc/35/81/96/179358196.db2.gz PHQZYBXMAHTVEZ-MRXNPFEDSA-N 1 3 281.444 2.027 10 0 CEAEHO CC(C)N1CCN([C@]2(C[NH3+])CCC[C@H](C)CC2)CC1 ZINC000086890705 179366171 /nfs/dbraw/zinc/36/61/71/179366171.db2.gz XNUVWRVDFYMQAB-JKSUJKDBSA-N 1 3 267.461 2.310 10 0 CEAEHO CCC[C@@H]1CCC[C@](CO)(N2CCC[NH2+]CC2)CC1 ZINC000086952102 179368552 /nfs/dbraw/zinc/36/85/52/179368552.db2.gz PROHLWCQSMQSRC-CVEARBPZSA-N 1 3 268.445 2.393 10 0 CEAEHO C[C@H](NC[C@H]1CCCN1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400753362 233181092 /nfs/dbraw/zinc/18/10/92/233181092.db2.gz WGVJDUNCFSRJLO-RYQLBKOJSA-N 1 3 287.451 2.239 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[N@H+](C)Cc1ccccc1C ZINC000090566292 180005726 /nfs/dbraw/zinc/00/57/26/180005726.db2.gz VLNSRHMWYOIWKJ-DLBZAZTESA-N 1 3 276.424 2.441 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[N@@H+](C)Cc1ccccc1C ZINC000090566292 180005729 /nfs/dbraw/zinc/00/57/29/180005729.db2.gz VLNSRHMWYOIWKJ-DLBZAZTESA-N 1 3 276.424 2.441 10 0 CEAEHO CCCN(C[C@@H]1Cc2ccccc2O1)C1CC[NH2+]CC1 ZINC000090876224 180051085 /nfs/dbraw/zinc/05/10/85/180051085.db2.gz FKWUNNJFUUBHAY-INIZCTEOSA-N 1 3 274.408 2.454 10 0 CEAEHO CCC[N@H+](C[C@@H]1Cc2ccccc2O1)C1CCNCC1 ZINC000090876224 180051087 /nfs/dbraw/zinc/05/10/87/180051087.db2.gz FKWUNNJFUUBHAY-INIZCTEOSA-N 1 3 274.408 2.454 10 0 CEAEHO CCC[N@@H+](C[C@@H]1Cc2ccccc2O1)C1CCNCC1 ZINC000090876224 180051088 /nfs/dbraw/zinc/05/10/88/180051088.db2.gz FKWUNNJFUUBHAY-INIZCTEOSA-N 1 3 274.408 2.454 10 0 CEAEHO C[NH2+]CC1CCN(C[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090893514 180055228 /nfs/dbraw/zinc/05/52/28/180055228.db2.gz VORZUMMGCYBXGX-OAHLLOKOSA-N 1 3 278.371 2.061 10 0 CEAEHO C[NH+](C)[C@H]1CCCN(c2nc(C3CC3)c(CN)s2)C1 ZINC000091429167 180153182 /nfs/dbraw/zinc/15/31/82/180153182.db2.gz DTLNHGJHCSUKFE-NSHDSACASA-N 1 3 280.441 2.010 10 0 CEAEHO CCN(CC)[C@](C)(CC)[C@H](Cc1cnccc1N)[NH2+]C ZINC000091599206 180202159 /nfs/dbraw/zinc/20/21/59/180202159.db2.gz CFMBWRIDKLRAKN-JKSUJKDBSA-N 1 3 278.444 2.305 10 0 CEAEHO CC[NH+](CC)[C@](C)(CC)[C@H](Cc1cnccc1N)NC ZINC000091599206 180202160 /nfs/dbraw/zinc/20/21/60/180202160.db2.gz CFMBWRIDKLRAKN-JKSUJKDBSA-N 1 3 278.444 2.305 10 0 CEAEHO CC[C@](C)(C(=O)Cc1c[nH+]ccc1N)N1CCCC1 ZINC000091602054 180203267 /nfs/dbraw/zinc/20/32/67/180203267.db2.gz SBHQDRLKHWGMHE-OAHLLOKOSA-N 1 3 261.369 2.040 10 0 CEAEHO CC[C@@](C)([C@H](O)Cc1cnccc1N)[NH+]1CCCCC1 ZINC000091608557 180205188 /nfs/dbraw/zinc/20/51/88/180205188.db2.gz CGTKBMWBUZIQIS-CVEARBPZSA-N 1 3 277.412 2.222 10 0 CEAEHO CC[C@](C)([C@H](O)Cc1cnccc1N)[NH+]1CCCCC1 ZINC000091608558 180205638 /nfs/dbraw/zinc/20/56/38/180205638.db2.gz CGTKBMWBUZIQIS-HZPDHXFCSA-N 1 3 277.412 2.222 10 0 CEAEHO CCC1(CC)CSC(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)=N1 ZINC000091675474 180225136 /nfs/dbraw/zinc/22/51/36/180225136.db2.gz IJNCXQJHPBZPFO-CHWSQXEVSA-N 1 3 297.468 2.101 10 0 CEAEHO CCC1(CC)CSC(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)=N1 ZINC000091675474 180225138 /nfs/dbraw/zinc/22/51/38/180225138.db2.gz IJNCXQJHPBZPFO-CHWSQXEVSA-N 1 3 297.468 2.101 10 0 CEAEHO CCc1ccc(C[C@H](N)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000091720717 180236600 /nfs/dbraw/zinc/23/66/00/180236600.db2.gz NZWMZQIWOUTJAX-UGFHNGPFSA-N 1 3 280.437 2.044 10 0 CEAEHO CCc1ccc(C[C@H](N)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000091720717 180236602 /nfs/dbraw/zinc/23/66/02/180236602.db2.gz NZWMZQIWOUTJAX-UGFHNGPFSA-N 1 3 280.437 2.044 10 0 CEAEHO CCCCNC(=O)CN(C)C1CCC([NH2+]CCC)CC1 ZINC000091870084 180277372 /nfs/dbraw/zinc/27/73/72/180277372.db2.gz AUMKVUOHUUNDFE-UHFFFAOYSA-N 1 3 283.460 2.145 10 0 CEAEHO CC[C@@H]1CCC[C@](C[NH3+])(C2(O)CCN(CC)CC2)C1 ZINC000091906324 180284264 /nfs/dbraw/zinc/28/42/64/180284264.db2.gz UZVUMUDVECCQDF-CABCVRRESA-N 1 3 268.445 2.379 10 0 CEAEHO Cc1ccc([O-])c(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000091994891 180301099 /nfs/dbraw/zinc/30/10/99/180301099.db2.gz BSPROIHWMJHBEL-AGUYFDCRSA-N 1 3 275.396 2.058 10 0 CEAEHO Cc1ccc([O-])c(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000091994891 180301101 /nfs/dbraw/zinc/30/11/01/180301101.db2.gz BSPROIHWMJHBEL-AGUYFDCRSA-N 1 3 275.396 2.058 10 0 CEAEHO C[C@H]1C[NH+](CCCC(=O)Nc2ccccc2CN)C[C@@H]1C ZINC000092082050 180319899 /nfs/dbraw/zinc/31/98/99/180319899.db2.gz JMNXXPZEOATMSG-KBPBESRZSA-N 1 3 289.423 2.452 10 0 CEAEHO CC(C)NCC1(C[N@@H+]2C[C@H](C)[C@H](C)C2)CCOCC1 ZINC000092088679 180321514 /nfs/dbraw/zinc/32/15/14/180321514.db2.gz IWAZNXZOBGRNJF-GASCZTMLSA-N 1 3 268.445 2.369 10 0 CEAEHO CC(C)NCC1(C[N@H+]2C[C@H](C)[C@H](C)C2)CCOCC1 ZINC000092088679 180321515 /nfs/dbraw/zinc/32/15/15/180321515.db2.gz IWAZNXZOBGRNJF-GASCZTMLSA-N 1 3 268.445 2.369 10 0 CEAEHO NCC[C@H]1CCCC[N@@H+]1C[C@@H]1COc2ccccc21 ZINC000092304500 180360230 /nfs/dbraw/zinc/36/02/30/180360230.db2.gz JJQBRQPOHPTZJD-ZIAGYGMSSA-N 1 3 260.381 2.366 10 0 CEAEHO NCC[C@H]1CCCC[N@H+]1C[C@@H]1COc2ccccc21 ZINC000092304500 180360232 /nfs/dbraw/zinc/36/02/32/180360232.db2.gz JJQBRQPOHPTZJD-ZIAGYGMSSA-N 1 3 260.381 2.366 10 0 CEAEHO C[NH2+]C[C@@H]1CCN(C[C@@H]2CSc3ccccc32)C1 ZINC000092290509 180357814 /nfs/dbraw/zinc/35/78/14/180357814.db2.gz XDIDTKFTWVIZCB-QWHCGFSZSA-N 1 3 262.422 2.417 10 0 CEAEHO CCN1CCN([C@@H](C[NH3+])c2ccc(C)cc2)C[C@@H]1C ZINC000107907005 186197819 /nfs/dbraw/zinc/19/78/19/186197819.db2.gz KGAAPMCQUADUAM-HOCLYGCPSA-N 1 3 261.413 2.021 10 0 CEAEHO COC(=O)C[C@@H]1CCCCN1[C@@H](CC[NH3+])c1ccccc1 ZINC000109604155 186267382 /nfs/dbraw/zinc/26/73/82/186267382.db2.gz MTINICOKYCEVRE-HOTGVXAUSA-N 1 3 290.407 2.494 10 0 CEAEHO COC(=O)C[C@H]1CCCCN1Cc1cccc(C[NH3+])c1 ZINC000109604110 186267677 /nfs/dbraw/zinc/26/76/77/186267677.db2.gz IQFWQAKTEMMGDY-OAHLLOKOSA-N 1 3 276.380 2.063 10 0 CEAEHO CC[C@H]1CN([C@@H](C[NH3+])c2ccc(F)c(C)c2)CCN1C ZINC000110710141 186316084 /nfs/dbraw/zinc/31/60/84/186316084.db2.gz OKSVPHYTXRWTFD-HOCLYGCPSA-N 1 3 279.403 2.160 10 0 CEAEHO CCC(CC)[NH2+]C[C@H](C)N1CCN(C)[C@@H](CC)C1 ZINC000110757282 186319740 /nfs/dbraw/zinc/31/97/40/186319740.db2.gz BGQSKYLSIZQEKC-ZFWWWQNUSA-N 1 3 255.450 2.179 10 0 CEAEHO CC[C@H]([NH3+])[C@@H](c1cccs1)N(C)CCN(C)C ZINC000111129477 186355844 /nfs/dbraw/zinc/35/58/44/186355844.db2.gz MVRHGQIVDRWRCQ-AAEUAGOBSA-N 1 3 255.431 2.020 10 0 CEAEHO C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1N(C)CCN(C)C ZINC000111135441 186357830 /nfs/dbraw/zinc/35/78/30/186357830.db2.gz ALZPSPKRKPNMGJ-KURKYZTESA-N 1 3 289.467 2.404 10 0 CEAEHO CC[NH2+][C@@H](CN(C)CCN(C)C)c1ccccc1C ZINC000111134288 186358017 /nfs/dbraw/zinc/35/80/17/186358017.db2.gz URITXJLZFOGGTO-INIZCTEOSA-N 1 3 263.429 2.139 10 0 CEAEHO CN[C@H]1CCCC[C@H]1C[N@H+](C)CC1CCOCC1 ZINC000111172691 186365428 /nfs/dbraw/zinc/36/54/28/186365428.db2.gz MZIXGOHHNFXBMX-GJZGRUSLSA-N 1 3 254.418 2.123 10 0 CEAEHO CN[C@H]1CCCC[C@H]1C[N@@H+](C)CC1CCOCC1 ZINC000111172691 186365429 /nfs/dbraw/zinc/36/54/29/186365429.db2.gz MZIXGOHHNFXBMX-GJZGRUSLSA-N 1 3 254.418 2.123 10 0 CEAEHO C[NH2+][C@H]1CCCC[C@H]1CN(C)CC1CCOCC1 ZINC000111172691 186365430 /nfs/dbraw/zinc/36/54/30/186365430.db2.gz MZIXGOHHNFXBMX-GJZGRUSLSA-N 1 3 254.418 2.123 10 0 CEAEHO CC[NH2+]C[C@]1(CN2CCC(C)CC2)CCCOC1 ZINC000111323611 186397872 /nfs/dbraw/zinc/39/78/72/186397872.db2.gz TVPZCTZWXPTXPG-HNNXBMFYSA-N 1 3 254.418 2.125 10 0 CEAEHO CCNC[C@]1(C[NH+]2CCC(C)CC2)CCCOC1 ZINC000111323611 186397874 /nfs/dbraw/zinc/39/78/74/186397874.db2.gz TVPZCTZWXPTXPG-HNNXBMFYSA-N 1 3 254.418 2.125 10 0 CEAEHO CC(C)[NH2+]C[C@@]1(CN(C)CC2CC2)CCCOC1 ZINC000111326081 186398314 /nfs/dbraw/zinc/39/83/14/186398314.db2.gz LSSHTCYQQCGZAC-OAHLLOKOSA-N 1 3 254.418 2.123 10 0 CEAEHO CCC[NH2+]C[C@]1(CN(C)CC2CC2)CCCOC1 ZINC000111326076 186398687 /nfs/dbraw/zinc/39/86/87/186398687.db2.gz FQDKUUPGGAELOK-HNNXBMFYSA-N 1 3 254.418 2.125 10 0 CEAEHO CCCN(C)C[C@]1(C[NH2+]CC(C)C)CCCOC1 ZINC000111324794 186399301 /nfs/dbraw/zinc/39/93/01/186399301.db2.gz AHMVGNKRUADUBA-OAHLLOKOSA-N 1 3 256.434 2.371 10 0 CEAEHO NC[C@]1(C[N@@H+]2CCCc3ccccc3C2)CCCOC1 ZINC000111329304 186399504 /nfs/dbraw/zinc/39/95/04/186399504.db2.gz AGYWEGRXHYPYTQ-KRWDZBQOSA-N 1 3 274.408 2.190 10 0 CEAEHO NC[C@]1(C[N@H+]2CCCc3ccccc3C2)CCCOC1 ZINC000111329304 186399506 /nfs/dbraw/zinc/39/95/06/186399506.db2.gz AGYWEGRXHYPYTQ-KRWDZBQOSA-N 1 3 274.408 2.190 10 0 CEAEHO CCC[NH2+]C[C@@]1(CN(C)CC2CCOCC2)CCCOC1 ZINC000111329938 186399595 /nfs/dbraw/zinc/39/95/95/186399595.db2.gz ZZKFXCWZBRAQQH-QGZVFWFLSA-N 1 3 298.471 2.141 10 0 CEAEHO CCCNC[C@@]1(C[N@H+](C)CC2CCOCC2)CCCOC1 ZINC000111329938 186399597 /nfs/dbraw/zinc/39/95/97/186399597.db2.gz ZZKFXCWZBRAQQH-QGZVFWFLSA-N 1 3 298.471 2.141 10 0 CEAEHO CCCNC[C@@]1(C[N@@H+](C)CC2CCOCC2)CCCOC1 ZINC000111329938 186399598 /nfs/dbraw/zinc/39/95/98/186399598.db2.gz ZZKFXCWZBRAQQH-QGZVFWFLSA-N 1 3 298.471 2.141 10 0 CEAEHO CCC[NH2+]CC1CCN([C@H](C)C(=O)N[C@H](C)CCC)CC1 ZINC000111696228 186445637 /nfs/dbraw/zinc/44/56/37/186445637.db2.gz SKNMWYPYXDUKTH-HUUCEWRRSA-N 1 3 297.487 2.391 10 0 CEAEHO C[C@H]1CCN(C2CCN(Cc3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000070145012 363037190 /nfs/dbraw/zinc/03/71/90/363037190.db2.gz ITENVVWXTWJWCX-YJBOKZPZSA-N 1 3 287.451 2.320 10 0 CEAEHO C[C@H](N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000570832315 299280338 /nfs/dbraw/zinc/28/03/38/299280338.db2.gz HVRQGHJISCIEMC-SZMVWBNQSA-N 1 3 287.451 2.239 10 0 CEAEHO C[C@@H]1CN(CCSc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000631837691 367577423 /nfs/dbraw/zinc/57/74/23/367577423.db2.gz WFIHSTUJTNAMJS-NEPJUHHUSA-N 1 3 268.401 2.444 10 0 CEAEHO C[C@H]1CN(CCC(=O)Nc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000631841915 367582921 /nfs/dbraw/zinc/58/29/21/367582921.db2.gz RQKKXOAHVCSUQG-RYUDHWBXSA-N 1 3 295.814 2.195 10 0 CEAEHO C[C@@H](NCCCN(C)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400759704 296122509 /nfs/dbraw/zinc/12/25/09/296122509.db2.gz XWIDIQQLIOTCST-CABCVRRESA-N 1 3 261.413 2.101 10 0 CEAEHO COC[C@H](CCC[NH3+])N[C@H](C)c1ccc(F)c(F)c1 ZINC000234696446 370540427 /nfs/dbraw/zinc/54/04/27/370540427.db2.gz BQJISDNNIPVCLM-PWSUYJOCSA-N 1 3 272.339 2.369 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(-n4ccnc4)cc3)C[C@H]12 ZINC000261601784 371673292 /nfs/dbraw/zinc/67/32/92/371673292.db2.gz BTJFFPKXIZKUDZ-HYVNUMGLSA-N 1 3 282.391 2.041 10 0 CEAEHO COc1ccc([C@@H](C)CN2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261783743 371730904 /nfs/dbraw/zinc/73/09/04/371730904.db2.gz UGMMBQSLIHJZNY-XJKSGUPXSA-N 1 3 262.397 2.469 10 0 CEAEHO COC(=O)[C@@H]1CCCCCC[C@@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000261932011 371775308 /nfs/dbraw/zinc/77/53/08/371775308.db2.gz LQTXVNCDICMHQZ-KFWWJZLASA-N 1 3 282.428 2.088 10 0 CEAEHO COC(=O)[C@@H]1CCCCCC[C@@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000261932011 371775314 /nfs/dbraw/zinc/77/53/14/371775314.db2.gz LQTXVNCDICMHQZ-KFWWJZLASA-N 1 3 282.428 2.088 10 0 CEAEHO CC(C)c1ccc([C@H](N)CNC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000262536223 371873867 /nfs/dbraw/zinc/87/38/67/371873867.db2.gz BEMJIPQAHJSVCG-HRCADAONSA-N 1 3 289.423 2.053 10 0 CEAEHO CCC[C@H](C(=O)NCc1cccc(C[NH+](C)C)c1)N(C)C ZINC000134483691 220209351 /nfs/dbraw/zinc/20/93/51/220209351.db2.gz NCSAVKHYUXSMJM-MRXNPFEDSA-N 1 3 291.439 2.095 10 0 CEAEHO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@@H]2CN)C[C@H](C)O1 ZINC000423109815 377003417 /nfs/dbraw/zinc/00/34/17/377003417.db2.gz UZVSJXHCKAXWLT-XLWJZTARSA-N 1 3 254.418 2.297 10 0 CEAEHO CC[C@@H](CO)[NH+]1CCN(c2ccnc3c(C)cccc23)CC1 ZINC000301661306 379294812 /nfs/dbraw/zinc/29/48/12/379294812.db2.gz JNNWKHOZJMUFDB-HNNXBMFYSA-N 1 3 299.418 2.436 10 0 CEAEHO C[C@@H](NCCN(C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000520793844 379504328 /nfs/dbraw/zinc/50/43/28/379504328.db2.gz LMRGSNMODHOYFS-WBVHZDCISA-N 1 3 275.440 2.096 10 0 CEAEHO CC(C)N1CCN([C@]2(C[NH3+])CCC[C@@H](C3CC3)C2)CC1 ZINC000081640872 177835158 /nfs/dbraw/zinc/83/51/58/177835158.db2.gz JGPJRAWUGUKORS-IAGOWNOFSA-N 1 3 279.472 2.310 10 0 CEAEHO CCC[NH2+][C@@H]1CC[C@@H](N2CCN([C@@H](C)CC)CC2)C1 ZINC000093797571 184722319 /nfs/dbraw/zinc/72/23/19/184722319.db2.gz XXJQTALHRPYRGH-ARFHVFGLSA-N 1 3 267.461 2.323 10 0 CEAEHO C[C@@H]1CCC[C@](C[NH3+])(N2C[C@@H]3CCCCN3C[C@@H]2C)C1 ZINC000094445597 184801873 /nfs/dbraw/zinc/80/18/73/184801873.db2.gz PTHIISYIYHTXDC-QZWWFDLISA-N 1 3 279.472 2.453 10 0 CEAEHO CCN1CCN(c2ccc(CCCC[NH3+])cc2)CC1 ZINC000082296764 135005497 /nfs/dbraw/zinc/00/54/97/135005497.db2.gz HQDNACSSEBRQKH-UHFFFAOYSA-N 1 3 261.413 2.110 10 0 CEAEHO C[C@@H](N)c1c(F)cccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091394747 135069037 /nfs/dbraw/zinc/06/90/37/135069037.db2.gz DLBSHIHXCHYDAD-NEPJUHHUSA-N 1 3 265.376 2.376 10 0 CEAEHO CC(C)[NH2+]Cc1cc(N2CCN3CCCC[C@@H]3C2)ccn1 ZINC000094443183 135088750 /nfs/dbraw/zinc/08/87/50/135088750.db2.gz LIHYBIOHORECJG-QGZVFWFLSA-N 1 3 288.439 2.254 10 0 CEAEHO C[C@@H]([NH3+])Cc1ccc(N2CCN3CCCC[C@@H]3C2)cc1 ZINC000094444536 135088786 /nfs/dbraw/zinc/08/87/86/135088786.db2.gz JQENCJZAEDODRY-RHSMWYFYSA-N 1 3 273.424 2.251 10 0 CEAEHO Cc1cc(N2CCN([C@H]3CC[NH2+]C3)CC2)c2ccccc2n1 ZINC000262457196 394618034 /nfs/dbraw/zinc/61/80/34/394618034.db2.gz IGOAVWDPPUCNCG-HNNXBMFYSA-N 1 3 296.418 2.027 10 0 CEAEHO FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@H]2CCNC2)C1 ZINC000422858260 394833846 /nfs/dbraw/zinc/83/38/46/394833846.db2.gz ZNOIOJKFBQDDAT-AXFHLTTASA-N 1 3 250.308 2.307 10 0 CEAEHO C(CN1CCN2CCCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000161852600 395066708 /nfs/dbraw/zinc/06/67/08/395066708.db2.gz OPVXJYZXLHIACF-MRXNPFEDSA-N 1 3 265.445 2.033 10 0 CEAEHO CC(C)[C@H](C[NH2+]C1CCN(C(C)C)CC1)N(C)C ZINC000020145510 171031286 /nfs/dbraw/zinc/03/12/86/171031286.db2.gz ZVGYKIPCIZLKDL-HNNXBMFYSA-N 1 3 255.450 2.035 10 0 CEAEHO C[C@@H](C(=O)Nc1ccccc1C[NH3+])N1C[C@H](C)C[C@@H](C)C1 ZINC000022214152 171374752 /nfs/dbraw/zinc/37/47/52/171374752.db2.gz XIZPWGDQOPXSHA-MCIONIFRSA-N 1 3 289.423 2.450 10 0 CEAEHO CN1CC[C@H](C[NH2+]Cc2cccc(Br)c2)C1 ZINC000037484577 173228731 /nfs/dbraw/zinc/22/87/31/173228731.db2.gz WECHEBPGFWKSRF-GFCCVEGCSA-N 1 3 283.213 2.490 10 0 CEAEHO C[NH2+]C[C@@H]1CCCN([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000040593244 174347836 /nfs/dbraw/zinc/34/78/36/174347836.db2.gz AHYGJVYECRLXFY-ZWKOTPCHSA-N 1 3 287.451 2.192 10 0 CEAEHO CC(C)N1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1CCN(C)C1 ZINC000040769270 174399152 /nfs/dbraw/zinc/39/91/52/174399152.db2.gz DFJFGEMBUMHTLT-PMRDEQMMSA-N 1 3 279.472 2.037 10 0 CEAEHO C[NH2+][C@H](c1ccccc1)[C@@H](C)N(C)C1CCN(C)CC1 ZINC000043815178 175111783 /nfs/dbraw/zinc/11/17/83/175111783.db2.gz IQMZTSQJCNJAAH-PBHICJAKSA-N 1 3 275.440 2.362 10 0 CEAEHO C[NH2+][C@@H](CN1CCN(C(C)C)CC1)c1ccc(C)cc1 ZINC000043896870 175119272 /nfs/dbraw/zinc/11/92/72/175119272.db2.gz NVNCYFVTQWOOKQ-KRWDZBQOSA-N 1 3 275.440 2.282 10 0 CEAEHO COCC[C@@H](C)[NH2+]Cc1ccccc1CN(C)C ZINC000045018339 175291342 /nfs/dbraw/zinc/29/13/42/175291342.db2.gz XSRBIIMCTWUELP-CYBMUJFWSA-N 1 3 250.386 2.263 10 0 CEAEHO Cc1cnc(CCN[C@@H](C)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000656200062 415636795 /nfs/dbraw/zinc/63/67/95/415636795.db2.gz IXGBQESELCTUNX-GJZGRUSLSA-N 1 3 261.413 2.219 10 0 CEAEHO C[NH2+]CC1CCN(C[C@@H]2OCCc3ccccc32)CC1 ZINC000071091594 176032149 /nfs/dbraw/zinc/03/21/49/176032149.db2.gz SMBBTLSVJSNCAO-KRWDZBQOSA-N 1 3 274.408 2.232 10 0 CEAEHO CC[C@H]1CCC[C@@](C[NH3+])(N2CCN(CC3CC3)CC2)C1 ZINC000071123895 176034788 /nfs/dbraw/zinc/03/47/88/176034788.db2.gz KHWSCCJYFKKDGO-DOTOQJQBSA-N 1 3 279.472 2.312 10 0 CEAEHO CC[C@@H]1CC[C@H](CN)[C@H]([N@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071188212 176062820 /nfs/dbraw/zinc/06/28/20/176062820.db2.gz RXQVDDFLLNQEQT-KLHDSHLOSA-N 1 3 267.461 2.024 10 0 CEAEHO CC[C@@H]1CC[C@H](CN)[C@H]([N@@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071188212 176062822 /nfs/dbraw/zinc/06/28/22/176062822.db2.gz RXQVDDFLLNQEQT-KLHDSHLOSA-N 1 3 267.461 2.024 10 0 CEAEHO CC(C)CNCc1occc1CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071192089 176073548 /nfs/dbraw/zinc/07/35/48/176073548.db2.gz NGWBNXAXSHRLKX-HNNXBMFYSA-N 1 3 293.455 2.409 10 0 CEAEHO CC(C)CNCc1occc1CN(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071192089 176073550 /nfs/dbraw/zinc/07/35/50/176073550.db2.gz NGWBNXAXSHRLKX-HNNXBMFYSA-N 1 3 293.455 2.409 10 0 CEAEHO COCCN(CCC[NH3+])c1ccnc2ccccc21 ZINC000071223562 176088345 /nfs/dbraw/zinc/08/83/45/176088345.db2.gz XHBDYCPBUYSPTQ-UHFFFAOYSA-N 1 3 259.353 2.036 10 0 CEAEHO CC[C@H](C)N1CCN(Cc2ccc(F)cc2C[NH3+])CC1 ZINC000071263633 176096694 /nfs/dbraw/zinc/09/66/94/176096694.db2.gz NRNWJCBJSFLXQX-ZDUSSCGKSA-N 1 3 279.403 2.201 10 0 CEAEHO CN1CCN(CCCCCC[NH2+]C(C)(C)C)CC1 ZINC000071287042 176109941 /nfs/dbraw/zinc/10/99/41/176109941.db2.gz BQPRGYNWVQDTLE-UHFFFAOYSA-N 1 3 255.450 2.182 10 0 CEAEHO C[NH2+]CCCCCCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000071289753 176110518 /nfs/dbraw/zinc/11/05/18/176110518.db2.gz PWWMNUVWKBRCMB-LSDHHAIUSA-N 1 3 254.418 2.410 10 0 CEAEHO Cc1nccn1CC[N@@H+]1C[C@@H](C(C)(C)C)NC[C@@H]1C1CC1 ZINC000071347905 176132767 /nfs/dbraw/zinc/13/27/67/176132767.db2.gz QUBKVHSDLGBVQL-CVEARBPZSA-N 1 3 290.455 2.290 10 0 CEAEHO Cc1nccn1CC[N@H+]1C[C@@H](C(C)(C)C)NC[C@@H]1C1CC1 ZINC000071347905 176132768 /nfs/dbraw/zinc/13/27/68/176132768.db2.gz QUBKVHSDLGBVQL-CVEARBPZSA-N 1 3 290.455 2.290 10 0 CEAEHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccnc2ccccc12 ZINC000666743896 419411986 /nfs/dbraw/zinc/41/19/86/419411986.db2.gz LRQQTASULZFOGG-SWLSCSKDSA-N 1 3 255.365 2.452 10 0 CEAEHO COc1ccccc1OCCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000564824043 298850516 /nfs/dbraw/zinc/85/05/16/298850516.db2.gz RHQIGCUBWHCDRX-ZIAGYGMSSA-N 1 3 278.396 2.052 10 0 CEAEHO CCO[C@@H]1CCCN(Cc2ccccc2C[NH2+]C)C1 ZINC000052372323 520318665 /nfs/dbraw/zinc/31/86/65/520318665.db2.gz HEYJXNVLSWCWJV-MRXNPFEDSA-N 1 3 262.397 2.407 10 0 CEAEHO CCCC[C@@](CC)(C[NH3+])N(CCCOC)CCOC ZINC000069380365 521122014 /nfs/dbraw/zinc/12/20/14/521122014.db2.gz OOIZJGKMQCGKAY-HNNXBMFYSA-N 1 3 274.449 2.269 10 0 CEAEHO CC(C)C[C@H]1CSC(N[C@H](C)CC[NH+](C)C)=N1 ZINC000049559267 519418175 /nfs/dbraw/zinc/41/81/75/519418175.db2.gz SCIWQYGRWOUEAR-NEPJUHHUSA-N 1 3 257.447 2.434 10 0 CEAEHO CC(C)CCC[NH2+]CCN1CCC[C@@H]1CN(C)C ZINC000061655212 519641253 /nfs/dbraw/zinc/64/12/53/519641253.db2.gz QNAZWUTTZSMVKS-OAHLLOKOSA-N 1 3 255.450 2.038 10 0 CEAEHO CC(C)[NH2+]C[C@@H](C(C)C)N1CCN(C(C)(C)C)CC1 ZINC000052571556 519722702 /nfs/dbraw/zinc/72/27/02/519722702.db2.gz RPLWSXDXBDWKLB-HNNXBMFYSA-N 1 3 269.477 2.425 10 0 CEAEHO CC(C)[NH2+]C[C@H](OCCN(C)C)c1ccccc1 ZINC000052669933 519724774 /nfs/dbraw/zinc/72/47/74/519724774.db2.gz VTYHDHICLAPOTD-HNNXBMFYSA-N 1 3 250.386 2.304 10 0 CEAEHO CC(C)CN1CCN(CC[NH2+][C@H]2CCCC[C@@H]2C)CC1 ZINC000055076100 519725963 /nfs/dbraw/zinc/72/59/63/519725963.db2.gz MYLRSZHHZJSVND-IRXDYDNUSA-N 1 3 281.488 2.428 10 0 CEAEHO CC(C)NCc1cc(N2CCC[C@@H]2C[NH+](C)C)ccn1 ZINC000061654175 519726912 /nfs/dbraw/zinc/72/69/12/519726912.db2.gz BYLDGJHGWVPCFF-MRXNPFEDSA-N 1 3 276.428 2.110 10 0 CEAEHO CC(C)CN1CCN([C@@H](c2ccsc2)[C@@H](C)[NH3+])CC1 ZINC000055077316 519727445 /nfs/dbraw/zinc/72/74/45/519727445.db2.gz JYHDYSIWXXGGEG-UKRRQHHQSA-N 1 3 281.469 2.410 10 0 CEAEHO CC(C)CN1CCN([C@@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000055077262 519727644 /nfs/dbraw/zinc/72/76/44/519727644.db2.gz FBTVFRPHGDOFKO-INIZCTEOSA-N 1 3 279.403 2.099 10 0 CEAEHO CC(C)CN1CCN([C@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000055077135 519728019 /nfs/dbraw/zinc/72/80/19/519728019.db2.gz NGJDRZHWNBGOOM-WBVHZDCISA-N 1 3 275.440 2.349 10 0 CEAEHO CC(C)CN1CCN([C@H](c2ccc(F)cc2)[C@@H](C)[NH3+])CC1 ZINC000055077385 519728059 /nfs/dbraw/zinc/72/80/59/519728059.db2.gz GABWBSMHRGWAIS-PBHICJAKSA-N 1 3 293.430 2.488 10 0 CEAEHO CC(C)CN1CCN([C@]2(C[NH3+])CCCC[C@@H]2C)CC1 ZINC000055078464 519728542 /nfs/dbraw/zinc/72/85/42/519728542.db2.gz ILAQWEGIFDCBLW-HOTGVXAUSA-N 1 3 267.461 2.168 10 0 CEAEHO CC(C)CN1CCN(c2cccc(Cl)c2C(N)=[NH2+])CC1 ZINC000055079658 519728930 /nfs/dbraw/zinc/72/89/30/519728930.db2.gz BSLQWNFOENUPDD-UHFFFAOYSA-N 1 3 294.830 2.402 10 0 CEAEHO CC(C)NCc1coc(CN2CCC[C@H]2C[NH+](C)C)c1 ZINC000061654624 519729132 /nfs/dbraw/zinc/72/91/32/519729132.db2.gz FEEPLUUKHMZQEM-HNNXBMFYSA-N 1 3 279.428 2.304 10 0 CEAEHO CC(C)C[NH2+]C[C@H](C)CN1CCN(C(C)(C)C)CC1 ZINC000052571609 519745799 /nfs/dbraw/zinc/74/57/99/519745799.db2.gz YMODHTOGFSNRAJ-HNNXBMFYSA-N 1 3 269.477 2.284 10 0 CEAEHO CC(C)CNCc1cn(CC[N@H+](C)[C@@H](C)CC(C)C)nn1 ZINC000052571937 519748073 /nfs/dbraw/zinc/74/80/73/519748073.db2.gz DGVWLMDFNHYUIT-HNNXBMFYSA-N 1 3 295.475 2.390 10 0 CEAEHO CC(C)CNCc1cn(CC[N@@H+](C)[C@@H](C)CC(C)C)nn1 ZINC000052571937 519748075 /nfs/dbraw/zinc/74/80/75/519748075.db2.gz DGVWLMDFNHYUIT-HNNXBMFYSA-N 1 3 295.475 2.390 10 0 CEAEHO CC(C)[C@@H](C[NH2+]C(C)(C)C)N1CCCN(C)CC1 ZINC000052424054 519794781 /nfs/dbraw/zinc/79/47/81/519794781.db2.gz MIGRWSNJVLZKLY-CQSZACIVSA-N 1 3 255.450 2.037 10 0 CEAEHO CCCN1CCN(C[C@H]2C[C@@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054559448 519858618 /nfs/dbraw/zinc/85/86/18/519858618.db2.gz YNLMSIZZWMTLDD-BBWFWOEESA-N 1 3 281.488 2.414 10 0 CEAEHO CCNC[C@@H](C(C)C)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545253 519929930 /nfs/dbraw/zinc/92/99/30/519929930.db2.gz BCRWHFFJSZECDK-ZFWWWQNUSA-N 1 3 256.434 2.367 10 0 CEAEHO CCNC[C@@H](C(C)C)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545253 519929938 /nfs/dbraw/zinc/92/99/38/519929938.db2.gz BCRWHFFJSZECDK-ZFWWWQNUSA-N 1 3 256.434 2.367 10 0 CEAEHO CCC[NH2+]C[C@H](C)CN1CCN([C@@H](C)CC)CC1 ZINC000055074700 519930863 /nfs/dbraw/zinc/93/08/63/519930863.db2.gz KYFYZGTWASWYBQ-GJZGRUSLSA-N 1 3 255.450 2.038 10 0 CEAEHO CCNC[C@H](C(C)C)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545254 519958488 /nfs/dbraw/zinc/95/84/88/519958488.db2.gz BCRWHFFJSZECDK-DZGCQCFKSA-N 1 3 256.434 2.367 10 0 CEAEHO CCNC[C@H](C(C)C)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545254 519958491 /nfs/dbraw/zinc/95/84/91/519958491.db2.gz BCRWHFFJSZECDK-DZGCQCFKSA-N 1 3 256.434 2.367 10 0 CEAEHO CCC[NH2+][C@@H](C)CCN1CCN([C@H](C)CC)CC1 ZINC000055066139 519987822 /nfs/dbraw/zinc/98/78/22/519987822.db2.gz ALKONKZKALZNQY-LSDHHAIUSA-N 1 3 255.450 2.181 10 0 CEAEHO CC[NH2+]Cc1ccccc1CN(CCCOC)CCOC ZINC000052543318 520006697 /nfs/dbraw/zinc/00/66/97/520006697.db2.gz DURSQDFGJBWDGP-UHFFFAOYSA-N 1 3 294.439 2.281 10 0 CEAEHO CC[NH2+]Cc1ccccc1OCCN(C)[C@@H](C)COC ZINC000052511618 520007951 /nfs/dbraw/zinc/00/79/51/520007951.db2.gz FUWCJYMPHRTOFR-AWEZNQCLSA-N 1 3 280.412 2.142 10 0 CEAEHO CCNCc1cnc(N2CCC(C[NH+](C)C)CC2)s1 ZINC000054907414 520015796 /nfs/dbraw/zinc/01/57/96/520015796.db2.gz DIIMGLUSGQKVFU-UHFFFAOYSA-N 1 3 282.457 2.031 10 0 CEAEHO CC[N@H+](CCOc1ccccc1CNC)[C@@H](C)COC ZINC000052504855 521153722 /nfs/dbraw/zinc/15/37/22/521153722.db2.gz NYVYYQGEHYQZDS-AWEZNQCLSA-N 1 3 280.412 2.142 10 0 CEAEHO CC[N@@H+](CCOc1ccccc1CNC)[C@@H](C)COC ZINC000052504855 521153729 /nfs/dbraw/zinc/15/37/29/521153729.db2.gz NYVYYQGEHYQZDS-AWEZNQCLSA-N 1 3 280.412 2.142 10 0 CEAEHO CCCC[C@](CC)(C[NH3+])N1CCN(C)C(C)(C)C1 ZINC000069381188 521253716 /nfs/dbraw/zinc/25/37/16/521253716.db2.gz RHQNXIBTZJMLHU-OAHLLOKOSA-N 1 3 255.450 2.310 10 0 CEAEHO CCCC[C@](CC)(CN)[N@@H+]1CCN(C)C(C)(C)C1 ZINC000069381188 521253721 /nfs/dbraw/zinc/25/37/21/521253721.db2.gz RHQNXIBTZJMLHU-OAHLLOKOSA-N 1 3 255.450 2.310 10 0 CEAEHO CCCC[C@](CC)(CN)[N@H+]1CCN(C)C(C)(C)C1 ZINC000069381188 521253729 /nfs/dbraw/zinc/25/37/29/521253729.db2.gz RHQNXIBTZJMLHU-OAHLLOKOSA-N 1 3 255.450 2.310 10 0 CEAEHO C[NH2+]C[C@H]1CC[C@@H](CN2CCc3sccc3[C@@H]2C)O1 ZINC000052505590 522094455 /nfs/dbraw/zinc/09/44/55/522094455.db2.gz HUUCSHRCSZGPJN-XQQFMLRXSA-N 1 3 280.437 2.434 10 0 CEAEHO CC[C@@H](C)N1CCN(CCCC[NH2+]C(C)C)CC1 ZINC000055074537 522119054 /nfs/dbraw/zinc/11/90/54/522119054.db2.gz AAGWRBFAWWQXQQ-OAHLLOKOSA-N 1 3 255.450 2.181 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000055074739 522120775 /nfs/dbraw/zinc/12/07/75/522120775.db2.gz QSEFDWGEVFLTDC-LSDHHAIUSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@@H](C)N1CCN(Cc2cc(C[NH2+]C)c(C)o2)CC1 ZINC000055073846 522125430 /nfs/dbraw/zinc/12/54/30/522125430.db2.gz OEPWBFRRPIQSOC-CYBMUJFWSA-N 1 3 279.428 2.224 10 0 CEAEHO C[NH2+]Cc1sc(N(C)[C@@H]2CCCN(C)C2)nc1C1CC1 ZINC000069180130 522167317 /nfs/dbraw/zinc/16/73/17/522167317.db2.gz YREDAFRLWJKTAH-GFCCVEGCSA-N 1 3 294.468 2.270 10 0 CEAEHO C[NH2+][C@@H]1c2ccccc2C[C@H]1N1CCN(CC(C)C)CC1 ZINC000055078859 522402559 /nfs/dbraw/zinc/40/25/59/522402559.db2.gz GNVLYRGHKDJUMH-QZTJIDSGSA-N 1 3 287.451 2.145 10 0 CEAEHO CN[C@H]1COc2cc(OCC[NH+]3CCCCC3)ccc21 ZINC000062804180 522508836 /nfs/dbraw/zinc/50/88/36/522508836.db2.gz FZKRFYHDJPFKLB-HNNXBMFYSA-N 1 3 276.380 2.204 10 0 CEAEHO COC[C@H](C)N(C)Cc1ccccc1C[NH2+]C1CC1 ZINC000052511956 522596430 /nfs/dbraw/zinc/59/64/30/522596430.db2.gz OZNVZRSFSSBJLA-ZDUSSCGKSA-N 1 3 262.397 2.405 10 0 CEAEHO CC[C@H](C)N1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000055083581 523953142 /nfs/dbraw/zinc/95/31/42/523953142.db2.gz BIPAQGZWGAYNRZ-HNNXBMFYSA-N 1 3 267.461 2.182 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@@H]([NH2+]C)c2ccccc2)CC1 ZINC000055065332 523954143 /nfs/dbraw/zinc/95/41/43/523954143.db2.gz FKSPYTBBGXVPAS-DOTOQJQBSA-N 1 3 275.440 2.363 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@H](C)C[NH2+]CC(C)C)CC1 ZINC000055074766 523955560 /nfs/dbraw/zinc/95/55/60/523955560.db2.gz YDGCGQWATZPIKL-CVEARBPZSA-N 1 3 269.477 2.284 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C[NH3+])c2cccc(OC)c2)CC1 ZINC000055063637 523959633 /nfs/dbraw/zinc/95/96/33/523959633.db2.gz BUHNIYGRUPGKJQ-WMLDXEAASA-N 1 3 291.439 2.111 10 0 CEAEHO C[C@@H](CCC[NH3+])N1CCN(c2ccccc2F)CC1 ZINC000052374725 524457755 /nfs/dbraw/zinc/45/77/55/524457755.db2.gz TYPUFDFHFFGNEA-ZDUSSCGKSA-N 1 3 265.376 2.075 10 0 CEAEHO C[C@H](C[NH2+]C(C)(C)C)CN1CCN(CC2CC2)CC1 ZINC000052372432 524477841 /nfs/dbraw/zinc/47/78/41/524477841.db2.gz ZXAWTJLZPDQMNN-CQSZACIVSA-N 1 3 267.461 2.038 10 0 CEAEHO Cc1cc(F)ccc1[C@@H](C[NH3+])N1CCN(CC(C)C)CC1 ZINC000055077949 525003042 /nfs/dbraw/zinc/00/30/42/525003042.db2.gz DDVQKTBGBOPEHT-QGZVFWFLSA-N 1 3 293.430 2.408 10 0 CEAEHO COc1ccc([C@@H](N)[C@@H](C)[N@H+](C)C2CCN(C)CC2)cc1 ZINC000052684851 525189872 /nfs/dbraw/zinc/18/98/72/525189872.db2.gz KZIQVHNPNHNGDK-DYVFJYSZSA-N 1 3 291.439 2.110 10 0 CEAEHO COc1ccc([C@@H](N)[C@@H](C)[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000052684851 525189881 /nfs/dbraw/zinc/18/98/81/525189881.db2.gz KZIQVHNPNHNGDK-DYVFJYSZSA-N 1 3 291.439 2.110 10 0 CEAEHO N=C(N)c1cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)ccn1 ZINC000068761828 526819911 /nfs/dbraw/zinc/81/99/11/526819911.db2.gz RCEOAKIBTLBONF-OAHLLOKOSA-N 1 3 280.375 2.355 10 0 CEAEHO N=C(N)c1cc(C[N@H+]2CC[C@@H](c3ccccc3)C2)ccn1 ZINC000068761828 526819914 /nfs/dbraw/zinc/81/99/14/526819914.db2.gz RCEOAKIBTLBONF-OAHLLOKOSA-N 1 3 280.375 2.355 10 0 CEAEHO C[C@@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)O1 ZINC000225243036 628888461 /nfs/dbraw/zinc/88/84/61/628888461.db2.gz DEPVTLITSUZEFD-MLQJFRMTSA-N 1 3 252.402 2.016 10 0 CEAEHO COC1(C[NH+]2CCC3(CCCN3C)CC2)CCC1 ZINC000336198283 365524127 /nfs/dbraw/zinc/52/41/27/365524127.db2.gz DNONXXAIMPNROC-UHFFFAOYSA-N 1 3 252.402 2.116 10 0 CEAEHO CCNCc1sc(CC[NH+](CC)CC)nc1COC ZINC000082446909 178024467 /nfs/dbraw/zinc/02/44/67/178024467.db2.gz WTIQTOJTFVHDQG-UHFFFAOYSA-N 1 3 285.457 2.283 10 0 CEAEHO CC[NH2+][C@@](C)(CO)CCN(CCC(C)C)C1CC1 ZINC000096837001 185116576 /nfs/dbraw/zinc/11/65/76/185116576.db2.gz UOJOCICROYUVCO-OAHLLOKOSA-N 1 3 256.434 2.248 10 0 CEAEHO CCN[C@@](C)(CO)CC[N@H+](CCC(C)C)C1CC1 ZINC000096837001 185116578 /nfs/dbraw/zinc/11/65/78/185116578.db2.gz UOJOCICROYUVCO-OAHLLOKOSA-N 1 3 256.434 2.248 10 0 CEAEHO CCN[C@@](C)(CO)CC[N@@H+](CCC(C)C)C1CC1 ZINC000096837001 185116580 /nfs/dbraw/zinc/11/65/80/185116580.db2.gz UOJOCICROYUVCO-OAHLLOKOSA-N 1 3 256.434 2.248 10 0 CEAEHO CN[C@](C)(CO)C[C@H](C)[N@H+](CCC(C)C)C1CC1 ZINC000096836996 185116727 /nfs/dbraw/zinc/11/67/27/185116727.db2.gz HGFCDSYFWPJGHT-ZFWWWQNUSA-N 1 3 256.434 2.246 10 0 CEAEHO CN[C@](C)(CO)C[C@H](C)[N@@H+](CCC(C)C)C1CC1 ZINC000096836996 185116729 /nfs/dbraw/zinc/11/67/29/185116729.db2.gz HGFCDSYFWPJGHT-ZFWWWQNUSA-N 1 3 256.434 2.246 10 0 CEAEHO C[NH2+][C@](C)(CO)C[C@H](C)N(CCC(C)C)C1CC1 ZINC000096836996 185116730 /nfs/dbraw/zinc/11/67/30/185116730.db2.gz HGFCDSYFWPJGHT-ZFWWWQNUSA-N 1 3 256.434 2.246 10 0 CEAEHO C[C@H]([NH3+])c1ccc(CN2CCN(C)C(C)(C)C2)c(F)c1 ZINC000142066427 344401930 /nfs/dbraw/zinc/40/19/30/344401930.db2.gz AWTCYCORUPMETO-LBPRGKRZSA-N 1 3 279.403 2.371 10 0 CEAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccnc4ccccc34)C[C@H]12 ZINC000381839663 344825314 /nfs/dbraw/zinc/82/53/14/344825314.db2.gz JSQVPIKDTDGGRV-VBNZEHGJSA-N 1 3 267.376 2.404 10 0 CEAEHO CCC1(CC)C[N@H+](CCn2ccnc2C)C(C)(C)CN1 ZINC000085519896 179087291 /nfs/dbraw/zinc/08/72/91/179087291.db2.gz ZVKSTQBYPIULAE-UHFFFAOYSA-N 1 3 278.444 2.434 10 0 CEAEHO CCC1(CC)C[N@@H+](CCn2ccnc2C)C(C)(C)CN1 ZINC000085519896 179087292 /nfs/dbraw/zinc/08/72/92/179087292.db2.gz ZVKSTQBYPIULAE-UHFFFAOYSA-N 1 3 278.444 2.434 10 0 CEAEHO Cc1nccn1CC[N@@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000085610808 179103424 /nfs/dbraw/zinc/10/34/24/179103424.db2.gz BANCAYLEOUCFOH-KRWDZBQOSA-N 1 3 284.407 2.228 10 0 CEAEHO Cc1nccn1CC[N@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000085610808 179103425 /nfs/dbraw/zinc/10/34/25/179103425.db2.gz BANCAYLEOUCFOH-KRWDZBQOSA-N 1 3 284.407 2.228 10 0 CEAEHO C[C@@H]1CCNC2(CCCC2)C[N@@H+]1CC1CCOCC1 ZINC000085623371 179106258 /nfs/dbraw/zinc/10/62/58/179106258.db2.gz AJCGCDHXQRDROB-CQSZACIVSA-N 1 3 266.429 2.410 10 0 CEAEHO C[C@@H]1CCNC2(CCCC2)C[N@H+]1CC1CCOCC1 ZINC000085623371 179106260 /nfs/dbraw/zinc/10/62/60/179106260.db2.gz AJCGCDHXQRDROB-CQSZACIVSA-N 1 3 266.429 2.410 10 0 CEAEHO CCN1CCC[C@H]([C@@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)C1 ZINC000085971331 179206757 /nfs/dbraw/zinc/20/67/57/179206757.db2.gz JNXHIWCFRNGHBY-UGUYLWEFSA-N 1 3 268.445 2.248 10 0 CEAEHO C[C@@H]1C[N@H+](C[C@@H]2CCCN(C)C2)[C@H](c2ccccc2)CN1 ZINC000086173705 179245077 /nfs/dbraw/zinc/24/50/77/179245077.db2.gz NXUBSUUUIUUCRC-NUJGCVRESA-N 1 3 287.451 2.363 10 0 CEAEHO C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C)C2)[C@H](c2ccccc2)CN1 ZINC000086173705 179245080 /nfs/dbraw/zinc/24/50/80/179245080.db2.gz NXUBSUUUIUUCRC-NUJGCVRESA-N 1 3 287.451 2.363 10 0 CEAEHO CC(C)[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223088 179250811 /nfs/dbraw/zinc/25/08/11/179250811.db2.gz LNBDZICTBDEZMC-HYVNUMGLSA-N 1 3 279.472 2.037 10 0 CEAEHO CC(C)[C@@H]1CN[C@@](C)(C2CC2)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223088 179250813 /nfs/dbraw/zinc/25/08/13/179250813.db2.gz LNBDZICTBDEZMC-HYVNUMGLSA-N 1 3 279.472 2.037 10 0 CEAEHO CCN1CCC[C@H]([N@@H+]2CC(C)(C)NC[C@@H]2C(C)C)C1 ZINC000086225400 179253056 /nfs/dbraw/zinc/25/30/56/179253056.db2.gz SRFMLLLTKFREOL-LSDHHAIUSA-N 1 3 267.461 2.179 10 0 CEAEHO CCN1CCC[C@H]([N@H+]2CC(C)(C)NC[C@@H]2C(C)C)C1 ZINC000086225400 179253057 /nfs/dbraw/zinc/25/30/57/179253057.db2.gz SRFMLLLTKFREOL-LSDHHAIUSA-N 1 3 267.461 2.179 10 0 CEAEHO CCC[C@@H]1C[N@H+](CC2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086259123 179257927 /nfs/dbraw/zinc/25/79/27/179257927.db2.gz IGXKDZHOFUQRET-SJORKVTESA-N 1 3 281.488 2.427 10 0 CEAEHO CCC[C@@H]1C[N@@H+](CC2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086259123 179257929 /nfs/dbraw/zinc/25/79/29/179257929.db2.gz IGXKDZHOFUQRET-SJORKVTESA-N 1 3 281.488 2.427 10 0 CEAEHO CN1CCC[C@@H](N2CCC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086288945 179264564 /nfs/dbraw/zinc/26/45/64/179264564.db2.gz RLFUZLCVOSYRSE-SJORKVTESA-N 1 3 279.472 2.325 10 0 CEAEHO CCN1CCC[C@@H]([N@@H+]2CCCNC(CC)(CC)C2)C1 ZINC000086289437 179264716 /nfs/dbraw/zinc/26/47/16/179264716.db2.gz QVWIEUAKANVSDK-OAHLLOKOSA-N 1 3 267.461 2.325 10 0 CEAEHO CCN1CCC[C@@H]([N@H+]2CCCNC(CC)(CC)C2)C1 ZINC000086289437 179264718 /nfs/dbraw/zinc/26/47/18/179264718.db2.gz QVWIEUAKANVSDK-OAHLLOKOSA-N 1 3 267.461 2.325 10 0 CEAEHO CCN1CCC[C@@H](N2CCC[NH2+]C(CC)(CC)C2)C1 ZINC000086289437 179264720 /nfs/dbraw/zinc/26/47/20/179264720.db2.gz QVWIEUAKANVSDK-OAHLLOKOSA-N 1 3 267.461 2.325 10 0 CEAEHO CC(C)[C@@H]1CN[C@@H](C2CC2)C[N@@H+]1CC1CCN(C)CC1 ZINC000086259021 179257331 /nfs/dbraw/zinc/25/73/31/179257331.db2.gz IYEQVBQQYLOIAR-SJORKVTESA-N 1 3 279.472 2.037 10 0 CEAEHO CC(C)[C@@H]1CN[C@@H](C2CC2)C[N@H+]1CC1CCN(C)CC1 ZINC000086259021 179257332 /nfs/dbraw/zinc/25/73/32/179257332.db2.gz IYEQVBQQYLOIAR-SJORKVTESA-N 1 3 279.472 2.037 10 0 CEAEHO CC[C@@H](C)[C@H]1CN(C[C@@H]2CCCCN2C)CCC[NH2+]1 ZINC000086291664 179266254 /nfs/dbraw/zinc/26/62/54/179266254.db2.gz LMBVTENBKFTTNN-OWCLPIDISA-N 1 3 267.461 2.181 10 0 CEAEHO CC[NH2+][C@@H]1CCCc2sc(N3CCCN(C)CC3)nc21 ZINC000086441955 179293503 /nfs/dbraw/zinc/29/35/03/179293503.db2.gz ABDZERZARIJWSA-GFCCVEGCSA-N 1 3 294.468 2.272 10 0 CEAEHO CC(C)C[C@@H](C[NH2+][C@@H]1CCCN(C)CC1)N(C)C ZINC000086817429 179344581 /nfs/dbraw/zinc/34/45/81/179344581.db2.gz VLRHFEFXGQSLJQ-CABCVRRESA-N 1 3 255.450 2.037 10 0 CEAEHO CC(C)N1CCC[C@H]([NH2+][C@@H](C)Cn2ccnc2)CC1 ZINC000086840502 179353034 /nfs/dbraw/zinc/35/30/34/179353034.db2.gz WFWLECVRFUAXRL-GJZGRUSLSA-N 1 3 264.417 2.124 10 0 CEAEHO CCC[N@@H+]1CCC[C@@H](NCCN2CCCCC2)CC1 ZINC000086843127 179353122 /nfs/dbraw/zinc/35/31/22/179353122.db2.gz LVIGMCHZKATPPX-MRXNPFEDSA-N 1 3 267.461 2.326 10 0 CEAEHO CCC[N@H+]1CCC[C@@H](NCCN2CCCCC2)CC1 ZINC000086843127 179353123 /nfs/dbraw/zinc/35/31/23/179353123.db2.gz LVIGMCHZKATPPX-MRXNPFEDSA-N 1 3 267.461 2.326 10 0 CEAEHO CCN1CCC([NH2+][C@H]2CCCN(C(C)C)CC2)CC1 ZINC000086842249 179353469 /nfs/dbraw/zinc/35/34/69/179353469.db2.gz TXRACDIZYWZIEL-HNNXBMFYSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[N@@H+]1CCC[C@@H](N2CCNCc3ccccc32)CC1 ZINC000086850922 179358442 /nfs/dbraw/zinc/35/84/42/179358442.db2.gz TWOAXHZXWVXLHX-MRXNPFEDSA-N 1 3 273.424 2.471 10 0 CEAEHO CC[N@H+]1CCC[C@@H](N2CCNCc3ccccc32)CC1 ZINC000086850922 179358443 /nfs/dbraw/zinc/35/84/43/179358443.db2.gz TWOAXHZXWVXLHX-MRXNPFEDSA-N 1 3 273.424 2.471 10 0 CEAEHO [NH3+]C[C@]1(N2CCCc3ccccc3C2)CCCOCC1 ZINC000086875758 179365561 /nfs/dbraw/zinc/36/55/61/179365561.db2.gz ZTUGCOZQLORUCG-KRWDZBQOSA-N 1 3 274.408 2.333 10 0 CEAEHO CCCN1CCN([C@@]2(C[NH3+])CCC[C@H](C)CC2)CC1 ZINC000086890463 179366323 /nfs/dbraw/zinc/36/63/23/179366323.db2.gz MPGGXKYQANDNQC-HOTGVXAUSA-N 1 3 267.461 2.312 10 0 CEAEHO C(C[NH2+][C@@H]1CCCNCC1)COC1CCCCC1 ZINC000128916045 187398722 /nfs/dbraw/zinc/39/87/22/187398722.db2.gz DDIRYKLQSVMLNC-CQSZACIVSA-N 1 3 254.418 2.458 10 0 CEAEHO C[C@H](CN(C)Cc1ccccc1)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400514771 233179361 /nfs/dbraw/zinc/17/93/61/233179361.db2.gz MSNGGJAWHOBMSO-BFYDXBDKSA-N 1 3 275.440 2.095 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[N@@H+]1CCCC[C@@H]1CC ZINC000090566096 180005905 /nfs/dbraw/zinc/00/59/05/180005905.db2.gz DGCPYEGTTODRSW-SOUVJXGZSA-N 1 3 254.418 2.266 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[N@H+]1CCCC[C@@H]1CC ZINC000090566096 180005909 /nfs/dbraw/zinc/00/59/09/180005909.db2.gz DGCPYEGTTODRSW-SOUVJXGZSA-N 1 3 254.418 2.266 10 0 CEAEHO CN(CCC[C@H]1CCCO1)CC[C@@H]1CCCC[NH2+]1 ZINC000090693322 180025171 /nfs/dbraw/zinc/02/51/71/180025171.db2.gz UZMQOVQOQIIPOB-GJZGRUSLSA-N 1 3 254.418 2.410 10 0 CEAEHO CCCCCNC(=O)[C@@H](C)N(C)CCC1CC[NH2+]CC1 ZINC000090694180 180026435 /nfs/dbraw/zinc/02/64/35/180026435.db2.gz FPZMEAXIMHOVDF-CQSZACIVSA-N 1 3 283.460 2.003 10 0 CEAEHO C[NH+](C)[C@H]1CCCN(c2nc3c(s2)CCC[C@@H]3N)C1 ZINC000091427989 180153188 /nfs/dbraw/zinc/15/31/88/180153188.db2.gz DIPVWDHGMPJIGW-QWRGUYRKSA-N 1 3 280.441 2.010 10 0 CEAEHO C[N@H+](CC1CC(O)C1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CN ZINC000091451682 180159054 /nfs/dbraw/zinc/15/90/54/180159054.db2.gz RTZKLCHSGJRDII-KVDYFSNESA-N 1 3 282.472 2.479 10 0 CEAEHO C[N@@H+](CC1CC(O)C1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CN ZINC000091451682 180159056 /nfs/dbraw/zinc/15/90/56/180159056.db2.gz RTZKLCHSGJRDII-KVDYFSNESA-N 1 3 282.472 2.479 10 0 CEAEHO CSC1(C[NH3+])CCN(CCOc2ccccc2)CC1 ZINC000091471884 180165140 /nfs/dbraw/zinc/16/51/40/180165140.db2.gz RJFYIDNFTFLPMM-UHFFFAOYSA-N 1 3 280.437 2.222 10 0 CEAEHO CSC1(C[NH3+])CCN(Cc2cccc(F)c2)CC1 ZINC000091475568 180165924 /nfs/dbraw/zinc/16/59/24/180165924.db2.gz HQVJIOKSTMTCQQ-UHFFFAOYSA-N 1 3 268.401 2.482 10 0 CEAEHO CCC[C@@](C)(C[NH2+]C(C)C)CN(C)CC1CC(O)C1 ZINC000091491131 180170261 /nfs/dbraw/zinc/17/02/61/180170261.db2.gz CLNHUPJUDXYUID-GPANFISMSA-N 1 3 270.461 2.494 10 0 CEAEHO CC(C)(C)[NH2+]CC[C@@](C)(O)[C@@H]1NCCc2ccccc21 ZINC000091519804 180177917 /nfs/dbraw/zinc/17/79/17/180177917.db2.gz NLJVNCBJOVLMTG-NVXWUHKLSA-N 1 3 276.424 2.403 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cccc(CN3CCCC3)c2)C1 ZINC000091548864 180188411 /nfs/dbraw/zinc/18/84/11/180188411.db2.gz CPCBRSSPTQVZBP-HUUCEWRRSA-N 1 3 287.407 2.348 10 0 CEAEHO CCC(CC)([C@@H]([NH2+]C)[C@H]1CCOC1)N1CCCC1 ZINC000091635073 180211161 /nfs/dbraw/zinc/21/11/61/180211161.db2.gz ZJPDSAWEYIUWRM-KBPBESRZSA-N 1 3 254.418 2.266 10 0 CEAEHO CCC(CC)([C@H]([NH3+])Cc1ncnn1C(C)C)N1CCCC1 ZINC000091635020 180211516 /nfs/dbraw/zinc/21/15/16/180211516.db2.gz VUZWMSQGOCJZCI-CQSZACIVSA-N 1 3 293.459 2.383 10 0 CEAEHO CCC[NH2+][C@@H](CCN(CC)CC)Cc1cccnc1N ZINC000091716834 180231931 /nfs/dbraw/zinc/23/19/31/180231931.db2.gz IWOKZFWRUWJTDL-HNNXBMFYSA-N 1 3 278.444 2.306 10 0 CEAEHO CCCN[C@@H](CC[NH+](CC)CC)Cc1cccnc1N ZINC000091716834 180231935 /nfs/dbraw/zinc/23/19/35/180231935.db2.gz IWOKZFWRUWJTDL-HNNXBMFYSA-N 1 3 278.444 2.306 10 0 CEAEHO CCN(CC(=O)Nc1cccc(F)c1)C1CCC([NH3+])CC1 ZINC000091851094 180272150 /nfs/dbraw/zinc/27/21/50/180272150.db2.gz ZFHSCROCSOEWMF-UHFFFAOYSA-N 1 3 293.386 2.356 10 0 CEAEHO C[NH2+]C1CCC(N(C)C(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)CC1 ZINC000091872278 180277969 /nfs/dbraw/zinc/27/79/69/180277969.db2.gz UJVSUQWKUKCMRS-QHSYURCPSA-N 1 3 295.471 2.237 10 0 CEAEHO CNCc1c(C)cc(C)nc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003346 180304370 /nfs/dbraw/zinc/30/43/70/180304370.db2.gz NNSIXSSQRFDKGQ-CABCVRRESA-N 1 3 288.439 2.091 10 0 CEAEHO CNCc1c(C)cc(C)nc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003346 180304372 /nfs/dbraw/zinc/30/43/72/180304372.db2.gz NNSIXSSQRFDKGQ-CABCVRRESA-N 1 3 288.439 2.091 10 0 CEAEHO C[NH+](C)CC(C)(C)CNC[C@@H]1COc2ccccc21 ZINC000092299092 180358549 /nfs/dbraw/zinc/35/85/49/180358549.db2.gz OWRDQAOZWIVEDO-CYBMUJFWSA-N 1 3 262.397 2.340 10 0 CEAEHO Cc1nn(CCN(C)C)c(C)c1C[C@@H](C)C[NH2+]C(C)C ZINC000092322992 180362477 /nfs/dbraw/zinc/36/24/77/180362477.db2.gz BDDVPUJZMISSQH-CYBMUJFWSA-N 1 3 280.460 2.238 10 0 CEAEHO CCC[NH2+][C@H](CC)Cc1nc(CCN(CC)CC)no1 ZINC000109496189 186256345 /nfs/dbraw/zinc/25/63/45/186256345.db2.gz JZVNOWJHSFEBDO-CYBMUJFWSA-N 1 3 282.432 2.275 10 0 CEAEHO CC[NH2+][C@H](C)[C@H](CC)c1nc(CCN(CC)CC)no1 ZINC000109496133 186256918 /nfs/dbraw/zinc/25/69/18/186256918.db2.gz FMXPELBKZOQTGF-OLZOCXBDSA-N 1 3 282.432 2.446 10 0 CEAEHO CCOC(=O)C1CCN([C@@H]2C[C@H](C)CC[C@@H]2C[NH3+])CC1 ZINC000109603646 186266851 /nfs/dbraw/zinc/26/68/51/186266851.db2.gz IDBJRDZZUWWQAJ-BPLDGKMQSA-N 1 3 282.428 2.025 10 0 CEAEHO CCOC(=O)C1CC[NH+]([C@@H]2C[C@H](C)CC[C@@H]2CN)CC1 ZINC000109603646 186266852 /nfs/dbraw/zinc/26/68/52/186266852.db2.gz IDBJRDZZUWWQAJ-BPLDGKMQSA-N 1 3 282.428 2.025 10 0 CEAEHO CC[C@@H]1CN([C@@H](CC[NH3+])c2ccccc2)CCN1C ZINC000110706033 186313765 /nfs/dbraw/zinc/31/37/65/186313765.db2.gz NPSAMOYHPKRBPY-CVEARBPZSA-N 1 3 261.413 2.103 10 0 CEAEHO CC[C@@H]1CN([C@@H](c2ccc(OC)cc2)[C@@H](C)[NH3+])CCN1C ZINC000110703794 186314343 /nfs/dbraw/zinc/31/43/43/186314343.db2.gz CKNMOFXRRZGVBY-FRFSOERESA-N 1 3 291.439 2.110 10 0 CEAEHO Cc1ccc([C@@H]([NH3+])CN2CCN(C)C(C)(C)C2)cc1C ZINC000110716352 186315467 /nfs/dbraw/zinc/31/54/67/186315467.db2.gz BUHWIPOPIKZZAU-INIZCTEOSA-N 1 3 275.440 2.329 10 0 CEAEHO CCC[NH2+][C@@H]1CCCC[C@H]1N1CCN(C)C(C)(C)C1 ZINC000110717339 186315614 /nfs/dbraw/zinc/31/56/14/186315614.db2.gz JCRKTGOWYGNBMN-HUUCEWRRSA-N 1 3 267.461 2.323 10 0 CEAEHO CCc1ccccc1[C@@H](C[NH3+])N1CCN(C)C(C)(C)C1 ZINC000110711721 186315639 /nfs/dbraw/zinc/31/56/39/186315639.db2.gz RBOHHCFPSABDNI-MRXNPFEDSA-N 1 3 275.440 2.275 10 0 CEAEHO CCN1CCN([C@@H]2CCc3ccccc3[C@@H]2[NH3+])C[C@@H]1C ZINC000110714258 186316152 /nfs/dbraw/zinc/31/61/52/186316152.db2.gz FCHFXNRPJCASRF-XKQJLSEDSA-N 1 3 273.424 2.027 10 0 CEAEHO CC[C@@H]([C@H]([NH3+])c1ccccc1)N1CCN(C)[C@@H](CC)C1 ZINC000110715237 186316564 /nfs/dbraw/zinc/31/65/64/186316564.db2.gz ZGWBUAUARRXAIT-YESZJQIVSA-N 1 3 275.440 2.491 10 0 CEAEHO CC[C@H]1CN(Cc2ccoc2C[NH2+]C(C)C)CCN1C ZINC000110753880 186319939 /nfs/dbraw/zinc/31/99/39/186319939.db2.gz HHGCIECONXGVCY-HNNXBMFYSA-N 1 3 279.428 2.304 10 0 CEAEHO CC[NH2+][C@H]1CCCC[C@H]1CN1CCN(C)C(C)(C)C1 ZINC000110747009 186321597 /nfs/dbraw/zinc/32/15/97/186321597.db2.gz JBEMBINIQDSQCH-GJZGRUSLSA-N 1 3 267.461 2.181 10 0 CEAEHO CC(C)[NH2+]C[C@H](C(C)C)N1CCN(C)C(C)(C)C1 ZINC000110755123 186321790 /nfs/dbraw/zinc/32/17/90/186321790.db2.gz FBRBQQFJJRLWEQ-CQSZACIVSA-N 1 3 255.450 2.035 10 0 CEAEHO CC[C@@H]1CN(Cc2oc3ccccc3c2C[NH3+])CCN1C ZINC000110753641 186322062 /nfs/dbraw/zinc/32/20/62/186322062.db2.gz FIRIMXMLZMTBAS-CYBMUJFWSA-N 1 3 287.407 2.418 10 0 CEAEHO CC(C)CNCc1ccc(CN(C)CCC[NH+](C)C)o1 ZINC000111150184 186360527 /nfs/dbraw/zinc/36/05/27/186360527.db2.gz KURAXDFCXCMUDO-UHFFFAOYSA-N 1 3 281.444 2.409 10 0 CEAEHO CC[C@@H]([NH3+])[C@H](c1cccc(C)c1)N(C)CCN(C)C ZINC000111129642 186355802 /nfs/dbraw/zinc/35/58/02/186355802.db2.gz CVAQNIWYKYUNPK-CVEARBPZSA-N 1 3 263.429 2.267 10 0 CEAEHO CN(CCC[NH+](C)C)[C@@H](CN)c1ccc(Cl)s1 ZINC000111131684 186355999 /nfs/dbraw/zinc/35/59/99/186355999.db2.gz UCZKTVKHRMZXFY-JTQLQIEISA-N 1 3 275.849 2.285 10 0 CEAEHO CC[C@H]([NH3+])[C@H](c1cccc(F)c1)N(C)CCN(C)C ZINC000111129997 186356107 /nfs/dbraw/zinc/35/61/07/186356107.db2.gz XKOQBFSEBYUZBG-GJZGRUSLSA-N 1 3 267.392 2.098 10 0 CEAEHO CN(CCC[NH+](C)C)[C@H](CN)c1ccc(Cl)cc1 ZINC000111131597 186356279 /nfs/dbraw/zinc/35/62/79/186356279.db2.gz MZQNQQVZQXEUJF-CQSZACIVSA-N 1 3 269.820 2.223 10 0 CEAEHO CN(C)CCN(C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000111135197 186356917 /nfs/dbraw/zinc/35/69/17/186356917.db2.gz RRNLOMZIBWRNOB-MELADBBJSA-N 1 3 255.450 2.022 10 0 CEAEHO CC[NH2+][C@H]1CCCCCC[C@H]1N(C)CCN(C)C ZINC000111135486 186357247 /nfs/dbraw/zinc/35/72/47/186357247.db2.gz DKURWPHEWYPGDV-LSDHHAIUSA-N 1 3 255.450 2.181 10 0 CEAEHO CCC[C@](C)(C[NH2+]C1CC1)CN(C)CCN(C)C ZINC000111146872 186359010 /nfs/dbraw/zinc/35/90/10/186359010.db2.gz VRWZNENSICAGOV-OAHLLOKOSA-N 1 3 255.450 2.038 10 0 CEAEHO C[NH2+][C@H]1CCCC[C@H]1CN(C)C[C@@H]1CCCOC1 ZINC000111171873 186365930 /nfs/dbraw/zinc/36/59/30/186365930.db2.gz IHVGWLXUHXQWEY-KKUMJFAQSA-N 1 3 254.418 2.123 10 0 CEAEHO CCNC[C@@]1(C[N@H+](CCO)C2CCCCC2)CCCOC1 ZINC000111327416 186398236 /nfs/dbraw/zinc/39/82/36/186398236.db2.gz XEGCGUXQXLOQBC-QGZVFWFLSA-N 1 3 298.471 2.020 10 0 CEAEHO CCNC[C@@]1(C[N@@H+](CCO)C2CCCCC2)CCCOC1 ZINC000111327416 186398237 /nfs/dbraw/zinc/39/82/37/186398237.db2.gz XEGCGUXQXLOQBC-QGZVFWFLSA-N 1 3 298.471 2.020 10 0 CEAEHO CC[NH2+]C[C@@]1(CN(CCO)C2CCCCC2)CCCOC1 ZINC000111327416 186398239 /nfs/dbraw/zinc/39/82/39/186398239.db2.gz XEGCGUXQXLOQBC-QGZVFWFLSA-N 1 3 298.471 2.020 10 0 CEAEHO CCC[N@H+](CC1CC1)C[C@]1(CNC)CCCOC1 ZINC000111326721 186398921 /nfs/dbraw/zinc/39/89/21/186398921.db2.gz ODYVUOCREWKAJV-OAHLLOKOSA-N 1 3 254.418 2.125 10 0 CEAEHO CCC[N@@H+](CC1CC1)C[C@]1(CNC)CCCOC1 ZINC000111326721 186398923 /nfs/dbraw/zinc/39/89/23/186398923.db2.gz ODYVUOCREWKAJV-OAHLLOKOSA-N 1 3 254.418 2.125 10 0 CEAEHO CN1CCN(Cc2ccc(C[NH2+]C3CC3)cc2)CC1(C)C ZINC000111237480 186373824 /nfs/dbraw/zinc/37/38/24/186373824.db2.gz LJJYYCFSVDMGFY-UHFFFAOYSA-N 1 3 287.451 2.465 10 0 CEAEHO CCCNC(=O)[C@H](C)N1CCC([C@@H](C)[NH2+]CCC)CC1 ZINC000111710091 186449347 /nfs/dbraw/zinc/44/93/47/186449347.db2.gz WZVIJEGCTRXFGY-KGLIPLIRSA-N 1 3 283.460 2.001 10 0 CEAEHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCC[C@H](O)C1 ZINC000251253761 539972690 /nfs/dbraw/zinc/97/26/90/539972690.db2.gz UWTPUWTWEDSHBP-QPSCCSFWSA-N 1 3 254.418 2.190 10 0 CEAEHO c1nc2ccccc2n1CCC[NH2+][C@H]1CCCNCC1 ZINC000133577219 366237220 /nfs/dbraw/zinc/23/72/20/366237220.db2.gz WIOCQMAKTLTJMR-AWEZNQCLSA-N 1 3 272.396 2.158 10 0 CEAEHO C[C@@H](Cc1ccccc1F)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000187820906 369230133 /nfs/dbraw/zinc/23/01/33/369230133.db2.gz JPEKDKKKDQWSSY-GOEBONIOSA-N 1 3 294.414 2.193 10 0 CEAEHO CN(CCC(=O)Nc1cccc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231668621 370485206 /nfs/dbraw/zinc/48/52/06/370485206.db2.gz MHGRXQUQKFMQFC-OAHLLOKOSA-N 1 3 293.386 2.228 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc4c(c3)CCC4)C[C@@H]12 ZINC000261607310 371675239 /nfs/dbraw/zinc/67/52/39/371675239.db2.gz RRCBDNXCLZXDLL-BRWVUGGUSA-N 1 3 256.393 2.344 10 0 CEAEHO COCc1cccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261584693 371662291 /nfs/dbraw/zinc/66/22/91/371662291.db2.gz HXTSQLUYRXUONQ-XHSDSOJGSA-N 1 3 260.381 2.002 10 0 CEAEHO [NH3+][C@@H]1CC[C@H]2CN(CCOc3cccc(Cl)c3)C[C@H]12 ZINC000261658573 371696083 /nfs/dbraw/zinc/69/60/83/371696083.db2.gz YWERCUJDMZJNLB-TUKIKUTGSA-N 1 3 280.799 2.388 10 0 CEAEHO COC[C@]1(CNc2ccnc3ccccc32)CCC[NH2+]1 ZINC000261686508 371701948 /nfs/dbraw/zinc/70/19/48/371701948.db2.gz HEZZSJKTELZJCA-MRXNPFEDSA-N 1 3 271.364 2.415 10 0 CEAEHO Cc1cccc(C)c1OCCN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262083958 371821328 /nfs/dbraw/zinc/82/13/28/371821328.db2.gz FRWBSQMJWAAHFE-XHSDSOJGSA-N 1 3 274.408 2.351 10 0 CEAEHO Cc1cccc2c(N3CC[NH+](C[C@@H](C)O)CC3)ccnc12 ZINC000302494083 379382534 /nfs/dbraw/zinc/38/25/34/379382534.db2.gz AVMZMCKXHUIBQU-CQSZACIVSA-N 1 3 285.391 2.046 10 0 CEAEHO Cc1cccc2c(N3CCN(C[C@@H](C)O)CC3)cc[nH+]c12 ZINC000302494083 379382538 /nfs/dbraw/zinc/38/25/38/379382538.db2.gz AVMZMCKXHUIBQU-CQSZACIVSA-N 1 3 285.391 2.046 10 0 CEAEHO CCCN1CCN([C@@]2(C[NH3+])CCC[C@@H](C3CC3)C2)CC1 ZINC000081640436 177835383 /nfs/dbraw/zinc/83/53/83/177835383.db2.gz VQXJRZSLZHWBIH-SJORKVTESA-N 1 3 279.472 2.312 10 0 CEAEHO C[C@H](C[C@H]1CCC[NH2+]1)NC1CCN(c2ccccn2)CC1 ZINC000093463212 135080874 /nfs/dbraw/zinc/08/08/74/135080874.db2.gz IBJAQKHMIZMEPH-GDBMZVCRSA-N 1 3 288.439 2.171 10 0 CEAEHO [NH3+]Cc1ccc(Cl)cc1N1CCN2CCCC[C@@H]2C1 ZINC000094438315 135087562 /nfs/dbraw/zinc/08/75/62/135087562.db2.gz MWFWUYBAENOQCU-CQSZACIVSA-N 1 3 279.815 2.473 10 0 CEAEHO COCC[N@H+](C[C@@H]1CCCNC1)[C@H]1CC[C@@H](C)C1 ZINC000261927685 394609006 /nfs/dbraw/zinc/60/90/06/394609006.db2.gz LEHHLRIKAVTNIE-KFWWJZLASA-N 1 3 254.418 2.123 10 0 CEAEHO COCC[N@@H+](C[C@@H]1CCCNC1)[C@H]1CC[C@@H](C)C1 ZINC000261927685 394609009 /nfs/dbraw/zinc/60/90/09/394609009.db2.gz LEHHLRIKAVTNIE-KFWWJZLASA-N 1 3 254.418 2.123 10 0 CEAEHO CCCN1CCN([C@@H](C[NH3+])c2ccccc2OCC)CC1 ZINC000020179692 171044163 /nfs/dbraw/zinc/04/41/63/171044163.db2.gz PFOOALLHUXKARY-INIZCTEOSA-N 1 3 291.439 2.113 10 0 CEAEHO CCCN1CCN([C@@H](C[NH3+])c2ccc(C)cc2)CC1 ZINC000020179480 171044449 /nfs/dbraw/zinc/04/44/49/171044449.db2.gz PAGYUBWFILYICZ-INIZCTEOSA-N 1 3 261.413 2.022 10 0 CEAEHO Cc1ccc([C@H](CN)[N@@H+](C)C2CCN(C)CC2)c(C)c1 ZINC000022168136 171366975 /nfs/dbraw/zinc/36/69/75/171366975.db2.gz RJUUXPFRPRLSME-KRWDZBQOSA-N 1 3 275.440 2.329 10 0 CEAEHO Cc1ccc([C@H](CN)[N@H+](C)C2CCN(C)CC2)c(C)c1 ZINC000022168136 171366977 /nfs/dbraw/zinc/36/69/77/171366977.db2.gz RJUUXPFRPRLSME-KRWDZBQOSA-N 1 3 275.440 2.329 10 0 CEAEHO CCOc1ccccc1[C@H](N)CN(C)C1CC[NH+](C)CC1 ZINC000023068787 171409720 /nfs/dbraw/zinc/40/97/20/171409720.db2.gz DEQFNVOLINVFKV-MRXNPFEDSA-N 1 3 291.439 2.111 10 0 CEAEHO C[N@H+]1[C@@H]2CC[C@H]1CC(NCCN1CCCCCC1)C2 ZINC000040767056 174398344 /nfs/dbraw/zinc/39/83/44/174398344.db2.gz MQXIIONGLLHPRL-MQVJKMGUSA-N 1 3 265.445 2.077 10 0 CEAEHO C[N@@H+]1[C@@H]2CC[C@H]1CC(NCCN1CCCCCC1)C2 ZINC000040767056 174398346 /nfs/dbraw/zinc/39/83/46/174398346.db2.gz MQXIIONGLLHPRL-MQVJKMGUSA-N 1 3 265.445 2.077 10 0 CEAEHO CCCN1CCN(C[C@@H]([NH2+]C)c2ccccc2C)CC1 ZINC000043805339 175107531 /nfs/dbraw/zinc/10/75/31/175107531.db2.gz LOFUNDBMOUSMTJ-QGZVFWFLSA-N 1 3 275.440 2.283 10 0 CEAEHO CCCN1CCN([C@@H]2CCCCC[C@@H]2[NH2+]CC)CC1 ZINC000043805479 175107876 /nfs/dbraw/zinc/10/78/76/175107876.db2.gz CNLAOPJMBQLTNK-JKSUJKDBSA-N 1 3 267.461 2.325 10 0 CEAEHO CCC[NH2+][C@@H]1CCCC[C@H]1N1CCN(C(C)C)CC1 ZINC000043897210 175120123 /nfs/dbraw/zinc/12/01/23/175120123.db2.gz WYRKVOVEBFGDFA-HZPDHXFCSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CCN(C(C)C)CC1 ZINC000043897056 175120152 /nfs/dbraw/zinc/12/01/52/175120152.db2.gz UUDREJYXVLVRRE-OAGGEKHMSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[NH2+][C@@H]1CCCCC[C@H]1N1CCN(CC2CC2)CC1 ZINC000043967929 175129175 /nfs/dbraw/zinc/12/91/75/175129175.db2.gz VLFWGSKJUYIYDX-IAGOWNOFSA-N 1 3 279.472 2.325 10 0 CEAEHO CC[NH2+][C@H](C)c1cccc(NC(=O)NC[C@@H](C)N(C)C)c1 ZINC000045113991 175310919 /nfs/dbraw/zinc/31/09/19/175310919.db2.gz JBFZYUFFIMZWJM-CHWSQXEVSA-N 1 3 292.427 2.429 10 0 CEAEHO CC(C)N[C@](C)(CCC[NH+]1CCCCCCC1)C(N)=O ZINC000045371654 175364152 /nfs/dbraw/zinc/36/41/52/175364152.db2.gz XTRMEVGKPRYRAL-MRXNPFEDSA-N 1 3 283.460 2.275 10 0 CEAEHO CCN[C@@](C)(CCCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379619 175368048 /nfs/dbraw/zinc/36/80/48/175368048.db2.gz IBLIUIHYCZUBQN-DZKIICNBSA-N 1 3 283.460 2.273 10 0 CEAEHO CCC[N@H+](CCCC[C@](C)(NC1CC1)C(N)=O)C1CC1 ZINC000045387501 175372956 /nfs/dbraw/zinc/37/29/56/175372956.db2.gz GQOHNLJCUFKUAT-INIZCTEOSA-N 1 3 281.444 2.027 10 0 CEAEHO CCC[N@@H+](CCCC[C@](C)(NC1CC1)C(N)=O)C1CC1 ZINC000045387501 175372957 /nfs/dbraw/zinc/37/29/57/175372957.db2.gz GQOHNLJCUFKUAT-INIZCTEOSA-N 1 3 281.444 2.027 10 0 CEAEHO CCC[C@H]1C[C@H]([N@@H+]2CCC[C@H]([C@@H](C)N)C2)CCO1 ZINC000070368491 175897670 /nfs/dbraw/zinc/89/76/70/175897670.db2.gz RGEYUJTXSGYVJW-BARDWOONSA-N 1 3 254.418 2.393 10 0 CEAEHO CCC[C@H]1C[C@H]([N@H+]2CCC[C@H]([C@@H](C)N)C2)CCO1 ZINC000070368491 175897671 /nfs/dbraw/zinc/89/76/71/175897671.db2.gz RGEYUJTXSGYVJW-BARDWOONSA-N 1 3 254.418 2.393 10 0 CEAEHO CO[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000665275393 415666214 /nfs/dbraw/zinc/66/62/14/415666214.db2.gz JRZFTABWKJIGHE-BPLDGKMQSA-N 1 3 254.418 2.169 10 0 CEAEHO CO[C@H](C[NH2+][C@H](C)[C@@H]1CCCNC1)C1CCCC1 ZINC000665275393 415666217 /nfs/dbraw/zinc/66/62/17/415666217.db2.gz JRZFTABWKJIGHE-BPLDGKMQSA-N 1 3 254.418 2.169 10 0 CEAEHO CO[C@H](CN[C@H](C)[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000665275395 415666459 /nfs/dbraw/zinc/66/64/59/415666459.db2.gz JRZFTABWKJIGHE-VHDGCEQUSA-N 1 3 254.418 2.169 10 0 CEAEHO CO[C@H](C[NH2+][C@H](C)[C@H]1CCCNC1)C1CCCC1 ZINC000665275395 415666464 /nfs/dbraw/zinc/66/64/64/415666464.db2.gz JRZFTABWKJIGHE-VHDGCEQUSA-N 1 3 254.418 2.169 10 0 CEAEHO CCOCC[N@H+](CC)C[C@@H](CN)c1ccccc1 ZINC000070943295 176015850 /nfs/dbraw/zinc/01/58/50/176015850.db2.gz UMEUOVLAXZRTNX-OAHLLOKOSA-N 1 3 250.386 2.087 10 0 CEAEHO CCOCC[N@@H+](CC)C[C@@H](CN)c1ccccc1 ZINC000070943295 176015851 /nfs/dbraw/zinc/01/58/51/176015851.db2.gz UMEUOVLAXZRTNX-OAHLLOKOSA-N 1 3 250.386 2.087 10 0 CEAEHO CC[C@@H]1CCC[C@@](CN)([N@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071124898 176035363 /nfs/dbraw/zinc/03/53/63/176035363.db2.gz VPJWFKMYOKBSKO-BZUAXINKSA-N 1 3 267.461 2.168 10 0 CEAEHO CC[C@@H]1CCC[C@@](CN)([N@@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071124898 176035364 /nfs/dbraw/zinc/03/53/64/176035364.db2.gz VPJWFKMYOKBSKO-BZUAXINKSA-N 1 3 267.461 2.168 10 0 CEAEHO CC[C@H]1CCCC[C@]1(CN)[NH+]1CCN(C2CC2)CC1 ZINC000071161859 176046373 /nfs/dbraw/zinc/04/63/73/176046373.db2.gz UBYOOEPWPAMBJI-GOEBONIOSA-N 1 3 265.445 2.064 10 0 CEAEHO CN[C@H](C)c1cc(F)ccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189401 176064587 /nfs/dbraw/zinc/06/45/87/176064587.db2.gz OIFQXMGZJFLCGW-CHWSQXEVSA-N 1 3 279.403 2.494 10 0 CEAEHO CN[C@H](C)c1cc(F)ccc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189401 176064588 /nfs/dbraw/zinc/06/45/88/176064588.db2.gz OIFQXMGZJFLCGW-CHWSQXEVSA-N 1 3 279.403 2.494 10 0 CEAEHO CCNCc1c(C)cc(C)nc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191642 176069791 /nfs/dbraw/zinc/06/97/91/176069791.db2.gz VUQGPMKBXRVUSZ-OAHLLOKOSA-N 1 3 290.455 2.196 10 0 CEAEHO CCNCc1c(C)cc(C)nc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191642 176069793 /nfs/dbraw/zinc/06/97/93/176069793.db2.gz VUQGPMKBXRVUSZ-OAHLLOKOSA-N 1 3 290.455 2.196 10 0 CEAEHO CN[C@H](c1ccccc1)[C@@H](C)C[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071191416 176070645 /nfs/dbraw/zinc/07/06/45/176070645.db2.gz LDCQJEACHZGACX-JZXOWHBKSA-N 1 3 289.467 2.467 10 0 CEAEHO CN[C@H](c1ccccc1)[C@@H](C)C[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071191416 176070646 /nfs/dbraw/zinc/07/06/46/176070646.db2.gz LDCQJEACHZGACX-JZXOWHBKSA-N 1 3 289.467 2.467 10 0 CEAEHO CCNCc1cc(CN(C)C[C@H]2CC[N@H+](C)C2)oc1C ZINC000071191945 176071577 /nfs/dbraw/zinc/07/15/77/176071577.db2.gz DPOYKBRRODNOCV-AWEZNQCLSA-N 1 3 279.428 2.081 10 0 CEAEHO CCNCc1cc(CN(C)C[C@H]2CC[N@@H+](C)C2)oc1C ZINC000071191945 176071578 /nfs/dbraw/zinc/07/15/78/176071578.db2.gz DPOYKBRRODNOCV-AWEZNQCLSA-N 1 3 279.428 2.081 10 0 CEAEHO CCC[NH2+][C@H]1CCCN([C@@H](CN(C)C)C(C)C)C1 ZINC000071200837 176077580 /nfs/dbraw/zinc/07/75/80/176077580.db2.gz BMEVEMFSEJWZIK-GJZGRUSLSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[NH2+][C@@H]1CCCN([C@@H](CC(C)C)CN(C)C)C1 ZINC000071200577 176077909 /nfs/dbraw/zinc/07/79/09/176077909.db2.gz IJKWYEBEPNQQSH-CABCVRRESA-N 1 3 255.450 2.037 10 0 CEAEHO COCCN(CCC(N)=[NH2+])c1ccnc2ccccc21 ZINC000071229482 176091174 /nfs/dbraw/zinc/09/11/74/176091174.db2.gz UHFWPCXTXOZVEV-UHFFFAOYSA-N 1 3 272.352 2.014 10 0 CEAEHO [NH3+]Cc1cc(F)ccc1CN1CCN(C2CCCC2)CC1 ZINC000071263620 176096871 /nfs/dbraw/zinc/09/68/71/176096871.db2.gz VYEBSGZDJFWSPH-UHFFFAOYSA-N 1 3 291.414 2.345 10 0 CEAEHO CC[NH2+][C@H]1CCC(C)(C)C[C@@H]1N(C)CCN(C)C ZINC000079626251 177528848 /nfs/dbraw/zinc/52/88/48/177528848.db2.gz IGQDBHZLVLWQPJ-KBPBESRZSA-N 1 3 255.450 2.037 10 0 CEAEHO COc1ccc(OCCN[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000667007652 419511025 /nfs/dbraw/zinc/51/10/25/419511025.db2.gz JIMAWNAPWNKOFV-UONOGXRCSA-N 1 3 278.396 2.052 10 0 CEAEHO C[C@@H]([NH3+])CCNCc1cccc(Br)c1 ZINC000258872076 280527338 /nfs/dbraw/zinc/52/73/38/280527338.db2.gz ZWWKPSWKJRUIRB-SECBINFHSA-N 1 3 257.175 2.276 10 0 CEAEHO CCNCC1(C[NH+]2C[C@@H](C)C[C@H](C)C2)CCOCC1 ZINC000052180545 519914010 /nfs/dbraw/zinc/91/40/10/519914010.db2.gz MHQHFGJMSDRMLS-GJZGRUSLSA-N 1 3 268.445 2.371 10 0 CEAEHO CC[NH2+]CC1(CN2C[C@@H](C)C[C@H](C)C2)CCOCC1 ZINC000052180545 519914015 /nfs/dbraw/zinc/91/40/15/519914015.db2.gz MHQHFGJMSDRMLS-GJZGRUSLSA-N 1 3 268.445 2.371 10 0 CEAEHO CC[NH2+]CC1(CN2CCN(CC(C)C)CC2)CCCC1 ZINC000055081780 519914144 /nfs/dbraw/zinc/91/41/44/519914144.db2.gz HDIIDFMWLIRPEG-UHFFFAOYSA-N 1 3 281.488 2.430 10 0 CEAEHO CC[NH2+]C[C@@H]1CC[C@H](CN(C)Cc2ccccc2)O1 ZINC000052417526 519953689 /nfs/dbraw/zinc/95/36/89/519953689.db2.gz XVANIWHLFFYMTB-JKSUJKDBSA-N 1 3 262.397 2.276 10 0 CEAEHO CC[N@H+](CC1CC1)CC1(CNC2CC2)CCOCC1 ZINC000069239870 520958520 /nfs/dbraw/zinc/95/85/20/520958520.db2.gz BTJDLFYTALSDJO-UHFFFAOYSA-N 1 3 266.429 2.267 10 0 CEAEHO CC[N@@H+](CC1CC1)CC1(CNC2CC2)CCOCC1 ZINC000069239870 520958526 /nfs/dbraw/zinc/95/85/26/520958526.db2.gz BTJDLFYTALSDJO-UHFFFAOYSA-N 1 3 266.429 2.267 10 0 CEAEHO CCC(CC)[N@H+](C)CCn1cc(CNCC(C)C)nn1 ZINC000052478136 521542804 /nfs/dbraw/zinc/54/28/04/521542804.db2.gz IRRVFZDJYLYCJM-UHFFFAOYSA-N 1 3 281.448 2.144 10 0 CEAEHO CCC(CC)[N@@H+](C)CCn1cc(CNCC(C)C)nn1 ZINC000052478136 521542813 /nfs/dbraw/zinc/54/28/13/521542813.db2.gz IRRVFZDJYLYCJM-UHFFFAOYSA-N 1 3 281.448 2.144 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000055065510 522130096 /nfs/dbraw/zinc/13/00/96/522130096.db2.gz AUUNBEWLCWEJHZ-QLFBSQMISA-N 1 3 253.434 2.063 10 0 CEAEHO CC(C)(C)N1CCN([C@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055023226 518712806 /nfs/dbraw/zinc/71/28/06/518712806.db2.gz RJZQDZUEQRLQEJ-OAHLLOKOSA-N 1 3 288.439 2.470 10 0 CEAEHO CC(C)C[C@@H]1CSC(N[C@H](C)CC[NH+](C)C)=N1 ZINC000049559266 519276361 /nfs/dbraw/zinc/27/63/61/519276361.db2.gz SCIWQYGRWOUEAR-VXGBXAGGSA-N 1 3 257.447 2.434 10 0 CEAEHO CC(C)=CCN1CCC([NH2+][C@@H](C)CCN(C)C)CC1 ZINC000049554234 519428662 /nfs/dbraw/zinc/42/86/62/519428662.db2.gz AOZNTAHYOAKSDY-HNNXBMFYSA-N 1 3 267.461 2.347 10 0 CEAEHO CC(C)CN1CCN(C[C@](C)(C[NH3+])c2ccccc2)CC1 ZINC000055081802 519726564 /nfs/dbraw/zinc/72/65/64/519726564.db2.gz OLVSXGTVWUGURT-SFHVURJKSA-N 1 3 289.467 2.177 10 0 CEAEHO CC(C)CN1CCN([C@@H](C[NH3+])c2c(F)cccc2F)CC1 ZINC000055078560 519727624 /nfs/dbraw/zinc/72/76/24/519727624.db2.gz ZYWMIKJLSUDAKR-HNNXBMFYSA-N 1 3 297.393 2.238 10 0 CEAEHO CC(C)CN1CCN([C@@H]2C[C@@H](C)CC[C@@H]2C[NH3+])CC1 ZINC000055077574 519727781 /nfs/dbraw/zinc/72/77/81/519727781.db2.gz ORTFNNJAIXAZOM-ARFHVFGLSA-N 1 3 267.461 2.024 10 0 CEAEHO CC(C)CN1CCN([C@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000055077140 519728115 /nfs/dbraw/zinc/72/81/15/519728115.db2.gz NGJDRZHWNBGOOM-RDJZCZTQSA-N 1 3 275.440 2.349 10 0 CEAEHO CC(C)CN1CCN([C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069267088 519728665 /nfs/dbraw/zinc/72/86/65/519728665.db2.gz HGCCCCRZGDOSAR-KRWDZBQOSA-N 1 3 273.424 2.105 10 0 CEAEHO CC(C)[NH2+]Cc1coc(CN2CCN(CC3CC3)CC2)c1 ZINC000052372484 519729123 /nfs/dbraw/zinc/72/91/23/519729123.db2.gz KNVVYTHVSQFZLA-UHFFFAOYSA-N 1 3 291.439 2.305 10 0 CEAEHO CC(C)C[NH2+]C[C@@H]1CCCN(C2CCOCC2)C1 ZINC000069311268 519745025 /nfs/dbraw/zinc/74/50/25/519745025.db2.gz GATVMERHEVJXSE-AWEZNQCLSA-N 1 3 254.418 2.123 10 0 CEAEHO CCCN1CCN(Cc2ccoc2C[NH2+]C(C)C)CC1 ZINC000052421884 519858976 /nfs/dbraw/zinc/85/89/76/519858976.db2.gz FNDQIDYAKAELEU-UHFFFAOYSA-N 1 3 279.428 2.305 10 0 CEAEHO CCC[NH2+]CCC[C@H](C)N1CCN(CC(C)C)CC1 ZINC000055082923 519913197 /nfs/dbraw/zinc/91/31/97/519913197.db2.gz YWZHNEPBTMGPOX-INIZCTEOSA-N 1 3 269.477 2.428 10 0 CEAEHO CCC[NH2+]C[C@@H](c1ccccc1)N1CCCN(C)CC1 ZINC000052424430 519923274 /nfs/dbraw/zinc/92/32/74/519923274.db2.gz JYCKFDKOHGWILC-KRWDZBQOSA-N 1 3 275.440 2.365 10 0 CEAEHO CC[NH2+]C[C@H](C(C)C)N1CCN([C@@H](C)CC)CC1 ZINC000055074824 519957717 /nfs/dbraw/zinc/95/77/17/519957717.db2.gz ORGUSVYNTSNMCA-LSDHHAIUSA-N 1 3 255.450 2.037 10 0 CEAEHO CCC[NH2+]Cc1ccoc1CN1CCC(OC)CC1 ZINC000052455188 519958730 /nfs/dbraw/zinc/95/87/30/519958730.db2.gz VFXZNMVAFUWYTG-UHFFFAOYSA-N 1 3 266.385 2.390 10 0 CEAEHO CCCNCc1nc(CN2CCC[C@H]2C[NH+](C)C)cs1 ZINC000061654728 519967381 /nfs/dbraw/zinc/96/73/81/519967381.db2.gz ZIFNCLOGAXGYJS-AWEZNQCLSA-N 1 3 296.484 2.169 10 0 CEAEHO CC[NH2+]Cc1ccccc1CN(CC)CCOC ZINC000052542801 520006082 /nfs/dbraw/zinc/00/60/82/520006082.db2.gz IWYCUNABKFGCKR-UHFFFAOYSA-N 1 3 250.386 2.264 10 0 CEAEHO CC[NH2+]Cc1ccccc1OCCN(CC)CCOC ZINC000052542705 520009480 /nfs/dbraw/zinc/00/94/80/520009480.db2.gz JZCCBPLBGCBSJJ-UHFFFAOYSA-N 1 3 280.412 2.143 10 0 CEAEHO CCC[NH2+][C@@H]1CCCC[C@H]1N1CCC[C@@H]1CN(C)C ZINC000061643762 520020172 /nfs/dbraw/zinc/02/01/72/520020172.db2.gz CUUCVROYUXTJIQ-BZUAXINKSA-N 1 3 267.461 2.323 10 0 CEAEHO CCC[NH2+][C@@H]1CCCCC[C@@H]1CN1CCC[C@@H]1CO ZINC000053876124 520021150 /nfs/dbraw/zinc/02/11/50/520021150.db2.gz UGOHNUYDUCGYHW-BZUAXINKSA-N 1 3 268.445 2.392 10 0 CEAEHO CC[NH2+]Cc1occc1CN(CC)[C@@H](C)COC ZINC000052504825 520031249 /nfs/dbraw/zinc/03/12/49/520031249.db2.gz ABXHPYHLIDACDP-LBPRGKRZSA-N 1 3 254.374 2.246 10 0 CEAEHO CCCCCC[C@H](C[NH3+])N1CCN(CC2CC2)CC1 ZINC000048992173 520133994 /nfs/dbraw/zinc/13/39/94/520133994.db2.gz AQELYWNWSGYTRJ-MRXNPFEDSA-N 1 3 267.461 2.312 10 0 CEAEHO CCCCC[C@@H](C[NH3+])N1CCN([C@@H](C)CC)CC1 ZINC000055064790 520291189 /nfs/dbraw/zinc/29/11/89/520291189.db2.gz USVWQZGPLUFCAK-GJZGRUSLSA-N 1 3 255.450 2.310 10 0 CEAEHO CC[NH+](CC)[C@@H]1CCN([C@@H](c2ccco2)[C@@H](C)N)C1 ZINC000062977151 520848923 /nfs/dbraw/zinc/84/89/23/520848923.db2.gz UZIQBWUHNJRPQG-UMVBOHGHSA-N 1 3 265.401 2.084 10 0 CEAEHO CC[NH+](CC)[C@H]1CCN(c2ncc([C@@H](C)N)s2)C1 ZINC000062975160 520875562 /nfs/dbraw/zinc/87/55/62/520875562.db2.gz FRBFSEGVAHIJEH-MNOVXSKESA-N 1 3 268.430 2.083 10 0 CEAEHO CCN(CC1(C[NH2+]C(C)C)CCOCC1)[C@H](C)COC ZINC000052182335 520937242 /nfs/dbraw/zinc/93/72/42/520937242.db2.gz YLNLDSPXUJTETK-OAHLLOKOSA-N 1 3 286.460 2.138 10 0 CEAEHO CCN(Cc1cc(C[NH2+]C)c(C)o1)[C@@H](C)COC ZINC000052504773 521289574 /nfs/dbraw/zinc/28/95/74/521289574.db2.gz VIRRHLHKSRGJSX-NSHDSACASA-N 1 3 254.374 2.164 10 0 CEAEHO CCC(CC)[N@H+](CCOC)Cc1occc1CN ZINC000052573338 521562250 /nfs/dbraw/zinc/56/22/50/521562250.db2.gz IZIXVEKQJMXPNB-UHFFFAOYSA-N 1 3 254.374 2.375 10 0 CEAEHO CCC(CC)[N@@H+](CCOC)Cc1occc1CN ZINC000052573338 521562257 /nfs/dbraw/zinc/56/22/57/521562257.db2.gz IZIXVEKQJMXPNB-UHFFFAOYSA-N 1 3 254.374 2.375 10 0 CEAEHO CCOC1CCN(C[C@@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052484097 521656060 /nfs/dbraw/zinc/65/60/60/521656060.db2.gz NYUACUDFDWOXOH-HOTGVXAUSA-N 1 3 298.471 2.423 10 0 CEAEHO CCCN(CCN(C)C)C[C@@H](C)C[NH2+]CC(C)C ZINC000052544155 521657016 /nfs/dbraw/zinc/65/70/16/521657016.db2.gz LECLOKVIEAIJOA-HNNXBMFYSA-N 1 3 257.466 2.142 10 0 CEAEHO CN(C)C[C@H]1CCC[N@@H+]1Cc1c2ccccc2oc1CN ZINC000061654398 521869800 /nfs/dbraw/zinc/86/98/00/521869800.db2.gz LRFDXNGSPOWXGF-CYBMUJFWSA-N 1 3 287.407 2.418 10 0 CEAEHO CN(C)C[C@H]1CCC[N@H+]1Cc1c2ccccc2oc1CN ZINC000061654398 521869810 /nfs/dbraw/zinc/86/98/10/521869810.db2.gz LRFDXNGSPOWXGF-CYBMUJFWSA-N 1 3 287.407 2.418 10 0 CEAEHO C[NH+](C)C[C@H]1CCCN1Cc1c2ccccc2oc1CN ZINC000061654398 521869818 /nfs/dbraw/zinc/86/98/18/521869818.db2.gz LRFDXNGSPOWXGF-CYBMUJFWSA-N 1 3 287.407 2.418 10 0 CEAEHO CNCC1(C[N@H+](CC(C)C)C(C)C)CCOCC1 ZINC000052197801 521967874 /nfs/dbraw/zinc/96/78/74/521967874.db2.gz UPZCJMXGILZVHD-UHFFFAOYSA-N 1 3 256.434 2.369 10 0 CEAEHO CNCC1(C[N@@H+](CC(C)C)C(C)C)CCOCC1 ZINC000052197801 521967884 /nfs/dbraw/zinc/96/78/84/521967884.db2.gz UPZCJMXGILZVHD-UHFFFAOYSA-N 1 3 256.434 2.369 10 0 CEAEHO C[NH2+]Cc1ccc(CN(C)C[C@H]2CCCCO2)cc1 ZINC000052507584 522117657 /nfs/dbraw/zinc/11/76/57/522117657.db2.gz DCUSFTMJNQLBBM-MRXNPFEDSA-N 1 3 262.397 2.407 10 0 CEAEHO CC[C@H](C[NH2+]C1CC1)N(CCN(C)C)CC(C)C ZINC000052503283 522191558 /nfs/dbraw/zinc/19/15/58/522191558.db2.gz SNRWTCIZMUODPF-OAHLLOKOSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[C@H]1CC[C@@H]([NH2+]C)[C@H](N2CCC[C@@H]2CN(C)C)C1 ZINC000061643433 523186210 /nfs/dbraw/zinc/18/62/10/523186210.db2.gz LJLDEOGESVCHEI-ZJIFWQFVSA-N 1 3 267.461 2.179 10 0 CEAEHO CN1CCCN(c2ncc(C[NH2+]C(C)(C)C)s2)CC1 ZINC000054899103 523811757 /nfs/dbraw/zinc/81/17/57/523811757.db2.gz YPOOMBCZZHCTTB-UHFFFAOYSA-N 1 3 282.457 2.173 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000055064212 523954306 /nfs/dbraw/zinc/95/43/06/523954306.db2.gz ZAZYEUXTXAIAIS-DOTOQJQBSA-N 1 3 275.440 2.145 10 0 CEAEHO CC[C@H](C)N1CCN(CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000055072419 523954570 /nfs/dbraw/zinc/95/45/70/523954570.db2.gz IFLQDAKJZHDISP-DOTOQJQBSA-N 1 3 275.440 2.493 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C[NH3+])c2ccc(C)s2)CC1 ZINC000055063802 523957830 /nfs/dbraw/zinc/95/78/30/523957830.db2.gz HEJACUXUUVTISX-JSGCOSHPSA-N 1 3 281.469 2.472 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C[NH3+])c2cccc(OC)c2)CC1 ZINC000055063634 523957933 /nfs/dbraw/zinc/95/79/33/523957933.db2.gz BUHNIYGRUPGKJQ-YOEHRIQHSA-N 1 3 291.439 2.111 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C[NH3+])c2ccccc2)CC1 ZINC000055063876 523959480 /nfs/dbraw/zinc/95/94/80/523959480.db2.gz YFMAHRMSCHNOMP-GOEBONIOSA-N 1 3 261.413 2.103 10 0 CEAEHO C[C@H](CN1CCCC1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000049150066 524316176 /nfs/dbraw/zinc/31/61/76/524316176.db2.gz KPYIWOLYELCNQS-OAHLLOKOSA-N 1 3 288.439 2.124 10 0 CEAEHO C[C@@H](C[NH2+]C(C)(C)C)CN1CCN(C(C)(C)C)CC1 ZINC000052571606 524732500 /nfs/dbraw/zinc/73/25/00/524732500.db2.gz REIGQKBKVIPVJD-AWEZNQCLSA-N 1 3 269.477 2.427 10 0 CEAEHO Cc1ccsc1C[NH2+]CCN1CCN(CC(C)C)CC1 ZINC000055076063 525856298 /nfs/dbraw/zinc/85/62/98/525856298.db2.gz YRRDLHGNXCQLCQ-UHFFFAOYSA-N 1 3 295.496 2.420 10 0 CEAEHO NC(=[NH2+])C[C@@H](c1ccccc1)N1CCCC[C@@H]1CCO ZINC000055022533 526816290 /nfs/dbraw/zinc/81/62/90/526816290.db2.gz VURIRHBENCPOER-CABCVRRESA-N 1 3 275.396 2.291 10 0 CEAEHO O=C1CCC[C@H]1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000062035253 526983343 /nfs/dbraw/zinc/98/33/43/526983343.db2.gz IUFNRJKJVGLYSA-HNNXBMFYSA-N 1 3 264.413 2.163 10 0 CEAEHO [NH3+]Cc1ccc(CN2CCN(C3CCCC3)CC2)c(F)c1 ZINC000052060619 527253660 /nfs/dbraw/zinc/25/36/60/527253660.db2.gz GYCZRLWZMJVFSV-UHFFFAOYSA-N 1 3 291.414 2.345 10 0 CEAEHO CC(C)(C)C1CCC2(CC1)[NH2+]CCC1(CNC1)O2 ZINC000757150280 574510744 /nfs/dbraw/zinc/51/07/44/574510744.db2.gz QNBNQKQFIMFETE-UHFFFAOYSA-N 1 3 252.402 2.271 10 0 CEAEHO CC(C)CN1CCC2(CC1)[NH2+]CC1(CCC1)CO2 ZINC000757150912 574510779 /nfs/dbraw/zinc/51/07/79/574510779.db2.gz ZHGBAGSWAVAXNU-UHFFFAOYSA-N 1 3 252.402 2.225 10 0 CEAEHO Cc1ccc(OC[C@H](C)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000129170890 651857904 /nfs/dbraw/zinc/85/79/04/651857904.db2.gz AGOPKOXJQWRZMM-GJZGRUSLSA-N 1 3 262.397 2.494 10 0 CEAEHO [NH3+]C[C@@H]1CCO[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000096949612 185139087 /nfs/dbraw/zinc/13/90/87/185139087.db2.gz OESZXCWZYXXBBP-HZPDHXFCSA-N 1 3 260.381 2.016 10 0 CEAEHO CCC[C@@H](C(=O)NCCC[NH+](C(C)C)C(C)C)N(C)C ZINC000126753729 365723397 /nfs/dbraw/zinc/72/33/97/365723397.db2.gz NXKOFFXYLCGSTR-HNNXBMFYSA-N 1 3 285.476 2.342 10 0 CEAEHO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@]1(C)CCCCN1 ZINC000136193278 344384174 /nfs/dbraw/zinc/38/41/74/344384174.db2.gz LHMLWLNGXSKWOS-GDBMZVCRSA-N 1 3 283.460 2.145 10 0 CEAEHO [NH3+]CCCCN1CCN(c2nccc3ccccc32)CC1 ZINC000136991420 344386989 /nfs/dbraw/zinc/38/69/89/344386989.db2.gz JUKMQPGMXRATBZ-UHFFFAOYSA-N 1 3 284.407 2.096 10 0 CEAEHO C[NH2+][C@@H]1C[C@H](C)C[C@@H](C)[C@@H]1N1CCN(CC2CC2)CC1 ZINC000084464477 178892457 /nfs/dbraw/zinc/89/24/57/178892457.db2.gz RDOYREKJLNMWHU-SRABZTEZSA-N 1 3 279.472 2.037 10 0 CEAEHO CC[C@@]1(C)CN(CCCOCC(F)(F)F)CCC[NH2+]1 ZINC000085617111 179104012 /nfs/dbraw/zinc/10/40/12/179104012.db2.gz IMHXMZSMKMFICC-LBPRGKRZSA-N 1 3 282.350 2.419 10 0 CEAEHO CC[C@@]1(C)C[N@H+](CCCOCC(F)(F)F)CCCN1 ZINC000085617111 179104017 /nfs/dbraw/zinc/10/40/17/179104017.db2.gz IMHXMZSMKMFICC-LBPRGKRZSA-N 1 3 282.350 2.419 10 0 CEAEHO CC[C@@]1(C)C[N@@H+](CCCOCC(F)(F)F)CCCN1 ZINC000085617111 179104018 /nfs/dbraw/zinc/10/40/18/179104018.db2.gz IMHXMZSMKMFICC-LBPRGKRZSA-N 1 3 282.350 2.419 10 0 CEAEHO CC[C@H]1C[N@H+](CCCOCC(F)(F)F)CCCN1 ZINC000085614657 179104645 /nfs/dbraw/zinc/10/46/45/179104645.db2.gz ILWRICKBJDFVLJ-NSHDSACASA-N 1 3 268.323 2.029 10 0 CEAEHO CC[C@H]1C[N@@H+](CCCOCC(F)(F)F)CCCN1 ZINC000085614657 179104647 /nfs/dbraw/zinc/10/46/47/179104647.db2.gz ILWRICKBJDFVLJ-NSHDSACASA-N 1 3 268.323 2.029 10 0 CEAEHO CC(C)[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223090 179250543 /nfs/dbraw/zinc/25/05/43/179250543.db2.gz LNBDZICTBDEZMC-PVAVHDDUSA-N 1 3 279.472 2.037 10 0 CEAEHO CC(C)[C@@H]1CN[C@](C)(C2CC2)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223090 179250544 /nfs/dbraw/zinc/25/05/44/179250544.db2.gz LNBDZICTBDEZMC-PVAVHDDUSA-N 1 3 279.472 2.037 10 0 CEAEHO CC[C@@H]1CNC2(CCCC2)C[N@@H+]1[C@@H]1CCCN(C)C1 ZINC000086223980 179252881 /nfs/dbraw/zinc/25/28/81/179252881.db2.gz JRVHKGATEFNTHO-HUUCEWRRSA-N 1 3 265.445 2.077 10 0 CEAEHO CC[C@@H]1CNC2(CCCC2)C[N@H+]1[C@@H]1CCCN(C)C1 ZINC000086223980 179252884 /nfs/dbraw/zinc/25/28/84/179252884.db2.gz JRVHKGATEFNTHO-HUUCEWRRSA-N 1 3 265.445 2.077 10 0 CEAEHO CC[C@@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CCCN(C)C1 ZINC000086223980 179252888 /nfs/dbraw/zinc/25/28/88/179252888.db2.gz JRVHKGATEFNTHO-HUUCEWRRSA-N 1 3 265.445 2.077 10 0 CEAEHO C[C@H]1C[NH2+]C2(CCCCC2)CN1[C@@H]1CCCN(C)C1 ZINC000086223951 179253195 /nfs/dbraw/zinc/25/31/95/179253195.db2.gz ZFZXVBZHJINOMN-LSDHHAIUSA-N 1 3 265.445 2.077 10 0 CEAEHO C[C@H]1CNC2(CCCCC2)C[N@@H+]1[C@@H]1CCCN(C)C1 ZINC000086223951 179253197 /nfs/dbraw/zinc/25/31/97/179253197.db2.gz ZFZXVBZHJINOMN-LSDHHAIUSA-N 1 3 265.445 2.077 10 0 CEAEHO C[C@H]1CNC2(CCCCC2)C[N@H+]1[C@@H]1CCCN(C)C1 ZINC000086223951 179253200 /nfs/dbraw/zinc/25/32/00/179253200.db2.gz ZFZXVBZHJINOMN-LSDHHAIUSA-N 1 3 265.445 2.077 10 0 CEAEHO CC(C)C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086224008 179253851 /nfs/dbraw/zinc/25/38/51/179253851.db2.gz DPEHHATZXOFKMK-ZACQAIPSSA-N 1 3 281.488 2.425 10 0 CEAEHO CC(C)C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086224008 179253853 /nfs/dbraw/zinc/25/38/53/179253853.db2.gz DPEHHATZXOFKMK-ZACQAIPSSA-N 1 3 281.488 2.425 10 0 CEAEHO c1ccc([C@@H]2C[N@H+]([C@@H]3CN4CCC3CC4)CCCN2)cc1 ZINC000086285952 179263488 /nfs/dbraw/zinc/26/34/88/179263488.db2.gz KWTXVOQZGDDTII-ZWKOTPCHSA-N 1 3 285.435 2.117 10 0 CEAEHO c1ccc([C@@H]2C[N@@H+]([C@@H]3CN4CCC3CC4)CCCN2)cc1 ZINC000086285952 179263490 /nfs/dbraw/zinc/26/34/90/179263490.db2.gz KWTXVOQZGDDTII-ZWKOTPCHSA-N 1 3 285.435 2.117 10 0 CEAEHO O[C@H](CNCCc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000336844360 365918855 /nfs/dbraw/zinc/91/88/55/365918855.db2.gz ZGHHUILKUBXBCT-MRXNPFEDSA-N 1 3 296.842 2.319 10 0 CEAEHO CCCN1CCC(NC2=[NH+]C[C@@H](C)CS2)CC1 ZINC000086633002 179315077 /nfs/dbraw/zinc/31/50/77/179315077.db2.gz DIDZECBQCMOHBU-LLVKDONJSA-N 1 3 255.431 2.189 10 0 CEAEHO C[C@@H]1CCC[C@@]1(C[NH3+])N1CCN(C2CCCC2)CC1 ZINC000086677103 179319033 /nfs/dbraw/zinc/31/90/33/179319033.db2.gz XCGIHNXESYOSDT-ZBFHGGJFSA-N 1 3 265.445 2.064 10 0 CEAEHO C[N@@H+]1CCC[C@H](NCCOC2CCCCC2)CC1 ZINC000086819129 179348587 /nfs/dbraw/zinc/34/85/87/179348587.db2.gz YCTSAAIYXODFSR-AWEZNQCLSA-N 1 3 254.418 2.410 10 0 CEAEHO C[N@H+]1CCC[C@H](NCCOC2CCCCC2)CC1 ZINC000086819129 179348589 /nfs/dbraw/zinc/34/85/89/179348589.db2.gz YCTSAAIYXODFSR-AWEZNQCLSA-N 1 3 254.418 2.410 10 0 CEAEHO C[N@@H+]1CCC[C@H](NC[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000086817247 179345000 /nfs/dbraw/zinc/34/50/00/179345000.db2.gz XIIMMWXYRPHOFP-HOTGVXAUSA-N 1 3 291.439 2.490 10 0 CEAEHO C[N@H+]1CCC[C@H](NC[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000086817247 179345001 /nfs/dbraw/zinc/34/50/01/179345001.db2.gz XIIMMWXYRPHOFP-HOTGVXAUSA-N 1 3 291.439 2.490 10 0 CEAEHO CN1CCC[C@H]([NH2+]C[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000086817247 179345002 /nfs/dbraw/zinc/34/50/02/179345002.db2.gz XIIMMWXYRPHOFP-HOTGVXAUSA-N 1 3 291.439 2.490 10 0 CEAEHO CCN(CC)CCN[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086835483 179349622 /nfs/dbraw/zinc/34/96/22/179349622.db2.gz OVEGNHHFHORFPF-OAHLLOKOSA-N 1 3 255.450 2.181 10 0 CEAEHO CCN(CC)CCN[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086835483 179349623 /nfs/dbraw/zinc/34/96/23/179349623.db2.gz OVEGNHHFHORFPF-OAHLLOKOSA-N 1 3 255.450 2.181 10 0 CEAEHO CCC[N@H+](CC1CC1)[C@@]1(CN)CCCN(CC)CC1 ZINC000086847869 179356622 /nfs/dbraw/zinc/35/66/22/179356622.db2.gz BEJBAPRSBJFLKT-INIZCTEOSA-N 1 3 267.461 2.312 10 0 CEAEHO CCC[N@@H+](CC1CC1)[C@@]1(CN)CCCN(CC)CC1 ZINC000086847869 179356625 /nfs/dbraw/zinc/35/66/25/179356625.db2.gz BEJBAPRSBJFLKT-INIZCTEOSA-N 1 3 267.461 2.312 10 0 CEAEHO CCN1CCC[C@H]([NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000086839287 179351021 /nfs/dbraw/zinc/35/10/21/179351021.db2.gz RPAHUFVTSYKXKH-DZGCQCFKSA-N 1 3 276.428 2.262 10 0 CEAEHO CC(C)N1CCC[C@H]([NH2+][C@@H](C)Cn2cccn2)CC1 ZINC000086840470 179352907 /nfs/dbraw/zinc/35/29/07/179352907.db2.gz OZFLDHDCMMMJCJ-GJZGRUSLSA-N 1 3 264.417 2.124 10 0 CEAEHO CC(C)[N@@H+]1CCC[C@H](N[C@@H](C)Cn2cccn2)CC1 ZINC000086840470 179352909 /nfs/dbraw/zinc/35/29/09/179352909.db2.gz OZFLDHDCMMMJCJ-GJZGRUSLSA-N 1 3 264.417 2.124 10 0 CEAEHO CC(C)[N@H+]1CCC[C@H](N[C@@H](C)Cn2cccn2)CC1 ZINC000086840470 179352912 /nfs/dbraw/zinc/35/29/12/179352912.db2.gz OZFLDHDCMMMJCJ-GJZGRUSLSA-N 1 3 264.417 2.124 10 0 CEAEHO CCN(CC)C(=O)CCN[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086841069 179354036 /nfs/dbraw/zinc/35/40/36/179354036.db2.gz LMSMEVULXINYMT-OAHLLOKOSA-N 1 3 283.460 2.097 10 0 CEAEHO CCN(CC)C(=O)CCN[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086841069 179354037 /nfs/dbraw/zinc/35/40/37/179354037.db2.gz LMSMEVULXINYMT-OAHLLOKOSA-N 1 3 283.460 2.097 10 0 CEAEHO CCN(CC)C(=O)CC[NH2+][C@@H]1CCCN(C(C)C)CC1 ZINC000086841069 179354039 /nfs/dbraw/zinc/35/40/39/179354039.db2.gz LMSMEVULXINYMT-OAHLLOKOSA-N 1 3 283.460 2.097 10 0 CEAEHO CCN1CCC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000086845894 179354942 /nfs/dbraw/zinc/35/49/42/179354942.db2.gz URCQZSFOZMUPBU-KKUMJFAQSA-N 1 3 254.418 2.002 10 0 CEAEHO CCN1CCC[C@H]([NH2+]CCOC2CCCC2)CC1 ZINC000086845145 179355355 /nfs/dbraw/zinc/35/53/55/179355355.db2.gz HUULHGWKEGXLCG-AWEZNQCLSA-N 1 3 254.418 2.410 10 0 CEAEHO CC[N@@H+]1CCC[C@H](NCCOC2CCCC2)CC1 ZINC000086845145 179355357 /nfs/dbraw/zinc/35/53/57/179355357.db2.gz HUULHGWKEGXLCG-AWEZNQCLSA-N 1 3 254.418 2.410 10 0 CEAEHO CC[N@H+]1CCC[C@H](NCCOC2CCCC2)CC1 ZINC000086845145 179355358 /nfs/dbraw/zinc/35/53/58/179355358.db2.gz HUULHGWKEGXLCG-AWEZNQCLSA-N 1 3 254.418 2.410 10 0 CEAEHO CC(C)N1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000086844133 179355617 /nfs/dbraw/zinc/35/56/17/179355617.db2.gz ZSURIFLKEFWWKH-ZNMIVQPWSA-N 1 3 254.418 2.142 10 0 CEAEHO CC(C)[N@@H+]1CCC[C@H](N[C@@H]2CCCC[C@@H]2O)CC1 ZINC000086844133 179355618 /nfs/dbraw/zinc/35/56/18/179355618.db2.gz ZSURIFLKEFWWKH-ZNMIVQPWSA-N 1 3 254.418 2.142 10 0 CEAEHO CC(C)[N@H+]1CCC[C@H](N[C@@H]2CCCC[C@@H]2O)CC1 ZINC000086844133 179355619 /nfs/dbraw/zinc/35/56/19/179355619.db2.gz ZSURIFLKEFWWKH-ZNMIVQPWSA-N 1 3 254.418 2.142 10 0 CEAEHO CC[C@H]1CCC[C@@](CN)([N@@H+]2CCCN(C)CC2)CC1 ZINC000086910561 179367179 /nfs/dbraw/zinc/36/71/79/179367179.db2.gz UFVSHQNKMRSUEL-JKSUJKDBSA-N 1 3 267.461 2.312 10 0 CEAEHO CC[C@H]1CCC[C@@](CN)([N@H+]2CCCN(C)CC2)CC1 ZINC000086910561 179367180 /nfs/dbraw/zinc/36/71/80/179367180.db2.gz UFVSHQNKMRSUEL-JKSUJKDBSA-N 1 3 267.461 2.312 10 0 CEAEHO CCN1CCC[C@H]([NH2+]CC2(O)CCC(C)CC2)CC1 ZINC000087045874 179388093 /nfs/dbraw/zinc/38/80/93/179388093.db2.gz FQOUEUMMERQGBJ-PCKAHOCUSA-N 1 3 268.445 2.392 10 0 CEAEHO c1ccc2c(c1)C[C@@H](C[NH2+]C[C@@H]1CCN(C3CC3)C1)O2 ZINC000090874332 180050402 /nfs/dbraw/zinc/05/04/02/180050402.db2.gz MBFIDSATWZUCCB-BBRMVZONSA-N 1 3 272.392 2.064 10 0 CEAEHO c1ccc2c(c1)C[C@@H](CNC[C@@H]1CC[N@@H+](C3CC3)C1)O2 ZINC000090874332 180050405 /nfs/dbraw/zinc/05/04/05/180050405.db2.gz MBFIDSATWZUCCB-BBRMVZONSA-N 1 3 272.392 2.064 10 0 CEAEHO c1ccc2c(c1)C[C@@H](CNC[C@@H]1CC[N@H+](C3CC3)C1)O2 ZINC000090874332 180050406 /nfs/dbraw/zinc/05/04/06/180050406.db2.gz MBFIDSATWZUCCB-BBRMVZONSA-N 1 3 272.392 2.064 10 0 CEAEHO CC(C)CN(CCC[NH3+])C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090879178 180053281 /nfs/dbraw/zinc/05/32/81/180053281.db2.gz PKMLMISBEBAKQB-HNNXBMFYSA-N 1 3 280.387 2.436 10 0 CEAEHO CC(C)C[N@H+](CCCN)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090879178 180053284 /nfs/dbraw/zinc/05/32/84/180053284.db2.gz PKMLMISBEBAKQB-HNNXBMFYSA-N 1 3 280.387 2.436 10 0 CEAEHO CC(C)C[N@@H+](CCCN)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090879178 180053285 /nfs/dbraw/zinc/05/32/85/180053285.db2.gz PKMLMISBEBAKQB-HNNXBMFYSA-N 1 3 280.387 2.436 10 0 CEAEHO C[NH2+]CCC1CCN(C[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090894309 180055630 /nfs/dbraw/zinc/05/56/30/180055630.db2.gz ATEYGABWDGAWQE-INIZCTEOSA-N 1 3 292.398 2.451 10 0 CEAEHO Cc1ccc2c(c1)C[C@@H](CNC[C@@H]1CCC[N@@H+](C)C1)O2 ZINC000090897791 180057502 /nfs/dbraw/zinc/05/75/02/180057502.db2.gz JKFXVVHYAHRGNL-HOCLYGCPSA-N 1 3 274.408 2.230 10 0 CEAEHO Cc1ccc2c(c1)C[C@@H](CNC[C@@H]1CCC[N@H+](C)C1)O2 ZINC000090897791 180057503 /nfs/dbraw/zinc/05/75/03/180057503.db2.gz JKFXVVHYAHRGNL-HOCLYGCPSA-N 1 3 274.408 2.230 10 0 CEAEHO CN(CC[C@H]1C[NH2+]CCO1)Cc1ccc(Cl)s1 ZINC000091313838 180132905 /nfs/dbraw/zinc/13/29/05/180132905.db2.gz HPAIYXRWZWKSPZ-JTQLQIEISA-N 1 3 274.817 2.212 10 0 CEAEHO CC(C)[N@H+](CC[C@H]1CNCCO1)Cc1cccs1 ZINC000091313881 180133152 /nfs/dbraw/zinc/13/31/52/180133152.db2.gz PVUJOBYEAYZABH-ZDUSSCGKSA-N 1 3 268.426 2.337 10 0 CEAEHO CC(C)[N@@H+](CC[C@H]1CNCCO1)Cc1cccs1 ZINC000091313881 180133154 /nfs/dbraw/zinc/13/31/54/180133154.db2.gz PVUJOBYEAYZABH-ZDUSSCGKSA-N 1 3 268.426 2.337 10 0 CEAEHO C[C@H](c1ccccc1F)N(C)CC[C@@H]1C[NH2+]CCO1 ZINC000091314178 180134039 /nfs/dbraw/zinc/13/40/39/180134039.db2.gz TVPSCFTWIRVESS-CHWSQXEVSA-N 1 3 266.360 2.197 10 0 CEAEHO CN(C)C[C@@H]1CCCN1C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362769 180141917 /nfs/dbraw/zinc/14/19/17/180141917.db2.gz AXMWCERKFLZQLS-QAETUUGQSA-N 1 3 279.472 2.323 10 0 CEAEHO CCC[NH2+][C@@H]1CCCC[C@@H]1CN(C)CC1CC(O)C1 ZINC000091490557 180170218 /nfs/dbraw/zinc/17/02/18/180170218.db2.gz UXSNZQSQGADDKF-GYTBAZASSA-N 1 3 268.445 2.248 10 0 CEAEHO CC(C)(C)[NH2+]CC[C@](C)(O)[C@@H]1NCCc2ccccc21 ZINC000091519803 180178407 /nfs/dbraw/zinc/17/84/07/180178407.db2.gz NLJVNCBJOVLMTG-WBVHZDCISA-N 1 3 276.424 2.403 10 0 CEAEHO CCN(CC(=O)N[C@@H]1CCCC[C@@H]1C)C1CCC([NH3+])CC1 ZINC000091851103 180272516 /nfs/dbraw/zinc/27/25/16/180272516.db2.gz ZMFPNUFJPCEGAE-SLTXQBBLSA-N 1 3 295.471 2.273 10 0 CEAEHO CCCN(Cc1cn2cccnc2n1)C1CCC([NH3+])CC1 ZINC000091852523 180272729 /nfs/dbraw/zinc/27/27/29/180272729.db2.gz GFEKGMJNRVVSOH-UHFFFAOYSA-N 1 3 287.411 2.211 10 0 CEAEHO C[NH2+]C[C@@H](C)C(=O)Nc1cccc(CN2CCCC2)c1 ZINC000092133278 180331079 /nfs/dbraw/zinc/33/10/79/180331079.db2.gz DZZPRSGVACHCII-CYBMUJFWSA-N 1 3 275.396 2.076 10 0 CEAEHO C[C@H]1CN([C@]2(C[NH3+])CCN(Cc3ccccc3)C2)C[C@H]1C ZINC000092083575 180320650 /nfs/dbraw/zinc/32/06/50/180320650.db2.gz FZSGOXIZKKHLGJ-JZXOWHBKSA-N 1 3 287.451 2.178 10 0 CEAEHO CNCc1ccccc1OCC[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000092089362 180321424 /nfs/dbraw/zinc/32/14/24/180321424.db2.gz SECMBDCQJZAUDM-KBPBESRZSA-N 1 3 262.397 2.373 10 0 CEAEHO CCC[NH2+]C[C@H](C)c1c(C)nn(CCN(C)C)c1C ZINC000092322969 180362178 /nfs/dbraw/zinc/36/21/78/180362178.db2.gz CEJHCMWVPJPYDH-LBPRGKRZSA-N 1 3 266.433 2.165 10 0 CEAEHO CCNc1cc[nH+]c(CN2CCN(C(C)(C)C)CC2)c1 ZINC000092418812 180381288 /nfs/dbraw/zinc/38/12/88/180381288.db2.gz XNKWZIQIGQYSOO-UHFFFAOYSA-N 1 3 276.428 2.430 10 0 CEAEHO CCNc1ccnc(CN2CCC[C@H]([NH+](C)C)C2)c1 ZINC000092419413 180381956 /nfs/dbraw/zinc/38/19/56/180381956.db2.gz ZQIBLJKASZAWGC-HNNXBMFYSA-N 1 3 262.401 2.039 10 0 CEAEHO CCCNc1ccnc(CN2CCC[C@H]([NH+](C)C)C2)c1 ZINC000092419419 180382617 /nfs/dbraw/zinc/38/26/17/180382617.db2.gz ZTXMYKXDUNJTFR-INIZCTEOSA-N 1 3 276.428 2.430 10 0 CEAEHO CN(C[C@@H]1CC[N@H+](C)C1)c1nc2ccccc2cc1CN ZINC000109359495 186249833 /nfs/dbraw/zinc/24/98/33/186249833.db2.gz GTNCWXIPABDQPL-CYBMUJFWSA-N 1 3 284.407 2.081 10 0 CEAEHO CN(C[C@@H]1CC[N@@H+](C)C1)c1nc2ccccc2cc1CN ZINC000109359495 186249834 /nfs/dbraw/zinc/24/98/34/186249834.db2.gz GTNCWXIPABDQPL-CYBMUJFWSA-N 1 3 284.407 2.081 10 0 CEAEHO CC[C@@H]1CN([C@@H](c2ccccc2C)[C@@H](C)[NH3+])CCN1C ZINC000110703924 186313701 /nfs/dbraw/zinc/31/37/01/186313701.db2.gz FGJKZORVMDWVQX-BFYDXBDKSA-N 1 3 275.440 2.409 10 0 CEAEHO CC[NH2+][C@H]1c2ccccc2C[C@H]1N1CCN(C)[C@@H](CC)C1 ZINC000110715573 186315353 /nfs/dbraw/zinc/31/53/53/186315353.db2.gz MQXLIBKGSVCORJ-JQHSSLGASA-N 1 3 287.451 2.288 10 0 CEAEHO CC[C@H]1CN(Cc2ccccc2C[NH2+]C2CC2)CCN1C ZINC000110754525 186319823 /nfs/dbraw/zinc/31/98/23/186319823.db2.gz WIVVWPPNKSPBKP-SFHVURJKSA-N 1 3 287.451 2.465 10 0 CEAEHO CC[NH2+]Cc1ccccc1CN1CCN(C)C(C)(C)C1 ZINC000110755447 186319912 /nfs/dbraw/zinc/31/99/12/186319912.db2.gz JCXWAQAGYRTSRC-UHFFFAOYSA-N 1 3 275.440 2.322 10 0 CEAEHO CCN1CCN(CC[NH2+]C2CCCCCC2)C[C@@H]1C ZINC000110756696 186321455 /nfs/dbraw/zinc/32/14/55/186321455.db2.gz VOFFQXFNOHUWTQ-HNNXBMFYSA-N 1 3 267.461 2.325 10 0 CEAEHO Cc1oc(C[NH2+]CC(C)C)cc1CN(C)CCN(C)C ZINC000111149778 186361139 /nfs/dbraw/zinc/36/11/39/186361139.db2.gz NLGDBORJKAQIEX-UHFFFAOYSA-N 1 3 281.444 2.327 10 0 CEAEHO CC[C@@H]([NH3+])[C@H](c1ccccc1C)N(C)CCN(C)C ZINC000111129660 186356120 /nfs/dbraw/zinc/35/61/20/186356120.db2.gz PPMHYAGZSNTEGG-CVEARBPZSA-N 1 3 263.429 2.267 10 0 CEAEHO CN(CCC[NH+](C)C)[C@H](CN)c1c(F)cccc1Cl ZINC000111133479 186356423 /nfs/dbraw/zinc/35/64/23/186356423.db2.gz LELVVWCVNKCXHH-CYBMUJFWSA-N 1 3 287.810 2.362 10 0 CEAEHO CCC[NH2+][C@H](CCC)[C@H](CC)N(C)CCN(C)C ZINC000111135354 186357083 /nfs/dbraw/zinc/35/70/83/186357083.db2.gz STBXVBIPPHDZEL-CABCVRRESA-N 1 3 257.466 2.427 10 0 CEAEHO CCC[NH2+][C@H]1CCCCC[C@@H]1N(C)CCN(C)C ZINC000111135511 186357536 /nfs/dbraw/zinc/35/75/36/186357536.db2.gz ALEFNYWLQSJRSB-GJZGRUSLSA-N 1 3 255.450 2.181 10 0 CEAEHO Cc1cc(C)c(C[NH2+]CC(C)C)c(N(C)CCN(C)C)n1 ZINC000111149063 186358388 /nfs/dbraw/zinc/35/83/88/186358388.db2.gz QXTXFNFWFVPWFT-UHFFFAOYSA-N 1 3 292.471 2.442 10 0 CEAEHO CC(C)NCc1ccc(CN(C)CCC[NH+](C)C)o1 ZINC000111150442 186359709 /nfs/dbraw/zinc/35/97/09/186359709.db2.gz OEIDINXIOWHNSR-UHFFFAOYSA-N 1 3 267.417 2.161 10 0 CEAEHO C[NH2+]Cc1c2ccccc2oc1CN(C)CCN(C)C ZINC000111149943 186359947 /nfs/dbraw/zinc/35/99/47/186359947.db2.gz NAYBIZHPPLKKFA-UHFFFAOYSA-N 1 3 275.396 2.146 10 0 CEAEHO CC[N@H+](C[C@]1(CNC)CCCOC1)C1CCCC1 ZINC000111325296 186399134 /nfs/dbraw/zinc/39/91/34/186399134.db2.gz OUTROUPNFIBMRK-OAHLLOKOSA-N 1 3 254.418 2.267 10 0 CEAEHO CC[N@@H+](C[C@]1(CNC)CCCOC1)C1CCCC1 ZINC000111325296 186399135 /nfs/dbraw/zinc/39/91/35/186399135.db2.gz OUTROUPNFIBMRK-OAHLLOKOSA-N 1 3 254.418 2.267 10 0 CEAEHO CC(C)[NH2+]C[C@@]1(CN(C)C[C@@H]2CCCOC2)CCCOC1 ZINC000111329913 186399817 /nfs/dbraw/zinc/39/98/17/186399817.db2.gz VHVFCAOXUMSHQK-DLBZAZTESA-N 1 3 298.471 2.140 10 0 CEAEHO C[C@H](NC[C@@H]1Cc2ccccc2CO1)[C@@H]1CCC[NH2+]C1 ZINC000629514565 351383704 /nfs/dbraw/zinc/38/37/04/351383704.db2.gz RPINNBFQUUZCMI-LXZKKBNFSA-N 1 3 274.408 2.106 10 0 CEAEHO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)[C@@H]1CCCNC1 ZINC000629514565 351383707 /nfs/dbraw/zinc/38/37/07/351383707.db2.gz RPINNBFQUUZCMI-LXZKKBNFSA-N 1 3 274.408 2.106 10 0 CEAEHO [NH3+]CCCC[C@@H]([NH3+])c1cc([O-])ccc1Br ZINC000575439443 366287654 /nfs/dbraw/zinc/28/76/54/366287654.db2.gz LTTRUAMAPHFEMW-LLVKDONJSA-N 1 3 273.174 2.284 10 0 CEAEHO C[C@H](N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000570832312 299280350 /nfs/dbraw/zinc/28/03/50/299280350.db2.gz HVRQGHJISCIEMC-CGTJXYLNSA-N 1 3 287.451 2.239 10 0 CEAEHO COc1ccc([C@H](N)c2cccn2CC[NH+](C)C)cc1 ZINC000011848780 361366356 /nfs/dbraw/zinc/36/63/56/361366356.db2.gz FKBLSZVSAWEHJG-INIZCTEOSA-N 1 3 273.380 2.106 10 0 CEAEHO C[C@@H]1CN(CCOc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000631843191 367586294 /nfs/dbraw/zinc/58/62/94/367586294.db2.gz KDZOZLPHZKITGN-NEPJUHHUSA-N 1 3 268.788 2.245 10 0 CEAEHO CCO[C@@H]1C[C@@H]([NH2+]CCCN(CC)CC)C12CCOCC2 ZINC000186193712 368934622 /nfs/dbraw/zinc/93/46/22/368934622.db2.gz MGJYMRWKBPCMKH-HZPDHXFCSA-N 1 3 298.471 2.282 10 0 CEAEHO CCO[C@@H]1C[C@@H](NCCC[NH+](CC)CC)C12CCOCC2 ZINC000186193712 368934626 /nfs/dbraw/zinc/93/46/26/368934626.db2.gz MGJYMRWKBPCMKH-HZPDHXFCSA-N 1 3 298.471 2.282 10 0 CEAEHO CCN1CCC[C@@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000221715875 370243386 /nfs/dbraw/zinc/24/33/86/370243386.db2.gz CKKXSOFANOKPTB-HZPDHXFCSA-N 1 3 289.423 2.067 10 0 CEAEHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCC(=O)Nc3ccccc32)C1 ZINC000333324881 205220172 /nfs/dbraw/zinc/22/01/72/205220172.db2.gz VBNPYKOVQASYLB-JMSVASOKSA-N 1 3 273.380 2.320 10 0 CEAEHO CC[N@H+](CCO)CCNc1ccnc2ccc(C)cc21 ZINC000302218286 379332955 /nfs/dbraw/zinc/33/29/55/379332955.db2.gz KQJHYMIYXSSCQV-UHFFFAOYSA-N 1 3 273.380 2.269 10 0 CEAEHO CC[N@@H+](CCO)CCNc1ccnc2ccc(C)cc21 ZINC000302218286 379332956 /nfs/dbraw/zinc/33/29/56/379332956.db2.gz KQJHYMIYXSSCQV-UHFFFAOYSA-N 1 3 273.380 2.269 10 0 CEAEHO CC[NH2+][C@@H]1CCC[C@@H](N2CCC(COC)CC2)C1 ZINC000093730752 184709603 /nfs/dbraw/zinc/70/96/03/184709603.db2.gz FHCLNDHHUKPGQM-HUUCEWRRSA-N 1 3 254.418 2.266 10 0 CEAEHO CC(C)NCc1cccnc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091432346 135069806 /nfs/dbraw/zinc/06/98/06/135069806.db2.gz SABHTCKCNKXAQO-HNNXBMFYSA-N 1 3 276.428 2.110 10 0 CEAEHO C[C@H]([NH3+])c1ccccc1N1CCN2CCCC[C@@H]2C1 ZINC000094439665 135087850 /nfs/dbraw/zinc/08/78/50/135087850.db2.gz UBQRHBAILNJCCB-UONOGXRCSA-N 1 3 259.397 2.381 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(C[C@@H]3CCC4(CCCC4)O3)C[C@H]12 ZINC000389155998 400537191 /nfs/dbraw/zinc/53/71/91/400537191.db2.gz YAIFTVRPCIQIOW-CBBWQLFWSA-N 1 3 264.413 2.147 10 0 CEAEHO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(CN)c1 ZINC000022152206 171359715 /nfs/dbraw/zinc/35/97/15/171359715.db2.gz TXESFCQRZQTXGH-CYBMUJFWSA-N 1 3 275.396 2.348 10 0 CEAEHO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(CN)c1 ZINC000022152206 171359717 /nfs/dbraw/zinc/35/97/17/171359717.db2.gz TXESFCQRZQTXGH-CYBMUJFWSA-N 1 3 275.396 2.348 10 0 CEAEHO CCCOc1ccc(CNC)c(OCC[NH+](C)C)c1 ZINC000035414128 172187740 /nfs/dbraw/zinc/18/77/40/172187740.db2.gz FLTQYLXQDZHPLV-UHFFFAOYSA-N 1 3 266.385 2.135 10 0 CEAEHO CCN1CCC[C@@H]([C@@H](C)[NH2+]CC[C@@H]2CCCO2)C1 ZINC000038096062 174110210 /nfs/dbraw/zinc/11/02/10/174110210.db2.gz FNDXPXKJFUFAFQ-KFWWJZLASA-N 1 3 254.418 2.266 10 0 CEAEHO Cc1cccc([C@H](CN)N2CCC([NH+](C)C)CC2)c1C ZINC000043314688 175004509 /nfs/dbraw/zinc/00/45/09/175004509.db2.gz XBTPLFNOLGXLHX-KRWDZBQOSA-N 1 3 275.440 2.329 10 0 CEAEHO CN[C@@H]1CCCCCC[C@H]1[N@H+](C)C1CCOCC1 ZINC000043898147 175121074 /nfs/dbraw/zinc/12/10/74/175121074.db2.gz ZBZIASGUDIVLPC-HUUCEWRRSA-N 1 3 254.418 2.408 10 0 CEAEHO CN[C@@H]1CCCCCC[C@H]1[N@@H+](C)C1CCOCC1 ZINC000043898147 175121075 /nfs/dbraw/zinc/12/10/75/175121075.db2.gz ZBZIASGUDIVLPC-HUUCEWRRSA-N 1 3 254.418 2.408 10 0 CEAEHO CCC[NH2+][C@H]1CCC[C@@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965690 175127402 /nfs/dbraw/zinc/12/74/02/175127402.db2.gz YRBINQMFBIRAHH-GJZGRUSLSA-N 1 3 267.461 2.323 10 0 CEAEHO CCN[C@@H]1CCOC[C@@H]1[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073255 175302646 /nfs/dbraw/zinc/30/26/46/175302646.db2.gz ZRNNDKIDIJSTHT-OAGGEKHMSA-N 1 3 266.429 2.408 10 0 CEAEHO CCN[C@@H]1CCOC[C@@H]1[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073255 175302648 /nfs/dbraw/zinc/30/26/48/175302648.db2.gz ZRNNDKIDIJSTHT-OAGGEKHMSA-N 1 3 266.429 2.408 10 0 CEAEHO Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000045171445 175321022 /nfs/dbraw/zinc/32/10/22/175321022.db2.gz RQRRCUOPBLFXED-SMDDNHRTSA-N 1 3 276.428 2.172 10 0 CEAEHO C[C@H]([NH3+])C1CCN(C[C@@H]2OCCc3ccccc32)CC1 ZINC000071044424 176029675 /nfs/dbraw/zinc/02/96/75/176029675.db2.gz DASYRNPSUDRLRW-GUYCJALGSA-N 1 3 274.408 2.360 10 0 CEAEHO CC[C@H]1CCC[C@](C[NH3+])(N2CCN(C(C)C)CC2)C1 ZINC000071123432 176035302 /nfs/dbraw/zinc/03/53/02/176035302.db2.gz YIILNGOWFABQQC-HOTGVXAUSA-N 1 3 267.461 2.310 10 0 CEAEHO CN1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000071170255 176050774 /nfs/dbraw/zinc/05/07/74/176050774.db2.gz NVZNMNUFZHZLFO-AWEZNQCLSA-N 1 3 274.408 2.441 10 0 CEAEHO COCCN(CCC[NH3+])c1cc(C)nc2ccccc21 ZINC000071223806 176088652 /nfs/dbraw/zinc/08/86/52/176088652.db2.gz RXKUEQZHEXPQSX-UHFFFAOYSA-N 1 3 273.380 2.345 10 0 CEAEHO CC[NH2+]C[C@H]1CCCN(CCCCCC(=O)OCC)C1 ZINC000071297943 176112737 /nfs/dbraw/zinc/11/27/37/176112737.db2.gz KEZKLJGPFNVZPH-OAHLLOKOSA-N 1 3 284.444 2.431 10 0 CEAEHO CC(C)[C@H](CN(C)C)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071401192 176153316 /nfs/dbraw/zinc/15/33/16/176153316.db2.gz QQEGKOFHSVSNQA-HOTGVXAUSA-N 1 3 291.439 2.169 10 0 CEAEHO FC(F)(F)CCN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000080945072 303112805 /nfs/dbraw/zinc/11/28/05/303112805.db2.gz LYWPPLUOHIUWPK-NSHDSACASA-N 1 3 250.308 2.403 10 0 CEAEHO CC(C)CN1CCN(CC(C)(C)C[NH2+]C2CC2)CC1 ZINC000055081833 519725509 /nfs/dbraw/zinc/72/55/09/519725509.db2.gz SQZRDOUURSHTMJ-UHFFFAOYSA-N 1 3 267.461 2.038 10 0 CEAEHO CCC[NH2+]C[C@H](C)CN(CCN(C)C)CC(C)C ZINC000052503296 519929443 /nfs/dbraw/zinc/92/94/43/519929443.db2.gz VIBQGCSTOHONMT-HNNXBMFYSA-N 1 3 257.466 2.142 10 0 CEAEHO CCC[NH2+][C@H](C)[C@@H](C)N1CCN(CC(C)C)CC1 ZINC000055079414 520063338 /nfs/dbraw/zinc/06/33/38/520063338.db2.gz ZZVRKHODTNUDQC-HUUCEWRRSA-N 1 3 255.450 2.037 10 0 CEAEHO CCC[NH2+][C@H](C)C1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000068875174 520061511 /nfs/dbraw/zinc/06/15/11/520061511.db2.gz ZCJAJADOFKDJRC-PWSUYJOCSA-N 1 3 282.350 2.010 10 0 CEAEHO CC[NH2+][C@@H](CN1CCN([C@@H](C)CC)CC1)C(C)(C)C ZINC000055065947 520098984 /nfs/dbraw/zinc/09/89/84/520098984.db2.gz KAVOFMLAVSPVIO-GJZGRUSLSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[NH2+][C@H]1CCCC[C@H]1CN1CCN(CC(C)C)CC1 ZINC000055082099 520214183 /nfs/dbraw/zinc/21/41/83/520214183.db2.gz UFIZGRBEULWXLN-IRXDYDNUSA-N 1 3 281.488 2.428 10 0 CEAEHO CCO[C@@H](C[NH3+])CCN(C)Cc1cccc(F)c1 ZINC000062740791 520307408 /nfs/dbraw/zinc/30/74/08/520307408.db2.gz WILKPMCBCGOLMK-CQSZACIVSA-N 1 3 254.349 2.011 10 0 CEAEHO CCN(CC1(C[NH2+]C(C)C)CCOCC1)[C@@H](C)COC ZINC000052182334 520936841 /nfs/dbraw/zinc/93/68/41/520936841.db2.gz YLNLDSPXUJTETK-HNNXBMFYSA-N 1 3 286.460 2.138 10 0 CEAEHO C[NH2+]Cc1oc(CN2CCCSCC2)cc1C ZINC000052371209 522162284 /nfs/dbraw/zinc/16/22/84/522162284.db2.gz YBNMCLMCAWJSGW-UHFFFAOYSA-N 1 3 254.399 2.246 10 0 CEAEHO C(CC[NH2+]C1CC1)CCN1CCO[C@H]2CCC[C@H]21 ZINC000052540317 518383496 /nfs/dbraw/zinc/38/34/96/518383496.db2.gz PLZFCNACJBFQCQ-CABCVRRESA-N 1 3 252.402 2.162 10 0 CEAEHO C(CC[NH2+]C1CC1)CCN1CCO[C@@H]2CCC[C@@H]21 ZINC000052540316 518384234 /nfs/dbraw/zinc/38/42/34/518384234.db2.gz PLZFCNACJBFQCQ-LSDHHAIUSA-N 1 3 252.402 2.162 10 0 CEAEHO CC(C)(C)N1CCN([C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000055016540 518712839 /nfs/dbraw/zinc/71/28/39/518712839.db2.gz ZLVUREDEQGXCGD-INIZCTEOSA-N 1 3 275.440 2.493 10 0 CEAEHO CC(C)[NH2+]CC1(CN2CCC[C@H]2C)CCOCC1 ZINC000052180442 519719619 /nfs/dbraw/zinc/71/96/19/519719619.db2.gz XZVMMEILCPNUQM-CQSZACIVSA-N 1 3 254.418 2.266 10 0 CEAEHO CC(C)[NH2+]CCCCCN1CCN(c2ccccn2)CC1 ZINC000052418621 519720458 /nfs/dbraw/zinc/72/04/58/519720458.db2.gz WGIBJCXDYLDCKH-UHFFFAOYSA-N 1 3 290.455 2.372 10 0 CEAEHO CC(C)[NH2+]C[C@H]1CC[C@@H](CN(C)CCc2ccncc2)O1 ZINC000052483155 519725240 /nfs/dbraw/zinc/72/52/40/519725240.db2.gz BMFHVEZWPGTORS-SJORKVTESA-N 1 3 291.439 2.102 10 0 CEAEHO CC(C)CN1CCN(CC2(C[NH3+])CCCCC2)CC1 ZINC000055081796 519725609 /nfs/dbraw/zinc/72/56/09/519725609.db2.gz HMWOXYDXMMJULF-UHFFFAOYSA-N 1 3 267.461 2.169 10 0 CEAEHO CC(C)CN1CCN(C[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000055083740 519726500 /nfs/dbraw/zinc/72/65/00/519726500.db2.gz UJOOBIIEOZBPES-QGZVFWFLSA-N 1 3 275.440 2.134 10 0 CEAEHO CC(C)CN1CCN([C@@H](C[NH3+])c2cc(F)ccc2F)CC1 ZINC000055077890 519727621 /nfs/dbraw/zinc/72/76/21/519727621.db2.gz JGOHHQHGMRZURJ-INIZCTEOSA-N 1 3 297.393 2.238 10 0 CEAEHO CC(C)CN1CCN([C@H](CC[NH3+])c2ccccc2)CC1 ZINC000055077658 519728136 /nfs/dbraw/zinc/72/81/36/519728136.db2.gz FIZMUSQLCXMBJC-QGZVFWFLSA-N 1 3 275.440 2.350 10 0 CEAEHO CCCN1CCN([C@@H]2C[C@@H](C(C)C)CC[C@@H]2[NH2+]C)CC1 ZINC000054554502 519859590 /nfs/dbraw/zinc/85/95/90/519859590.db2.gz GEFBLLIYWBRGMO-YESZJQIVSA-N 1 3 281.488 2.427 10 0 CEAEHO CCNCC1(C[N@H+](CC)CC2CC2)CCOCC1 ZINC000069262677 519912824 /nfs/dbraw/zinc/91/28/24/519912824.db2.gz GSZUVOZYQKPSLB-UHFFFAOYSA-N 1 3 254.418 2.125 10 0 CEAEHO CCNCC1(C[N@@H+](CC)CC2CC2)CCOCC1 ZINC000069262677 519912828 /nfs/dbraw/zinc/91/28/28/519912828.db2.gz GSZUVOZYQKPSLB-UHFFFAOYSA-N 1 3 254.418 2.125 10 0 CEAEHO CC[NH2+]CC1(CN(CC)CC2CC2)CCOCC1 ZINC000069262677 519912830 /nfs/dbraw/zinc/91/28/30/519912830.db2.gz GSZUVOZYQKPSLB-UHFFFAOYSA-N 1 3 254.418 2.125 10 0 CEAEHO CCNCC1(C[N@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000052180543 519913569 /nfs/dbraw/zinc/91/35/69/519913569.db2.gz MHQHFGJMSDRMLS-GASCZTMLSA-N 1 3 268.445 2.371 10 0 CEAEHO CCNCC1(C[N@@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000052180543 519913571 /nfs/dbraw/zinc/91/35/71/519913571.db2.gz MHQHFGJMSDRMLS-GASCZTMLSA-N 1 3 268.445 2.371 10 0 CEAEHO CC[NH2+]CC1(CN2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000052180543 519913574 /nfs/dbraw/zinc/91/35/74/519913574.db2.gz MHQHFGJMSDRMLS-GASCZTMLSA-N 1 3 268.445 2.371 10 0 CEAEHO CC[NH2+]C[C@@H]1CC[C@@H](CN2CCc3ccccc3C2)O1 ZINC000052419166 519953067 /nfs/dbraw/zinc/95/30/67/519953067.db2.gz LTSVUODGFRJQGT-IRXDYDNUSA-N 1 3 274.408 2.202 10 0 CEAEHO CC[NH2+]C[C@H]1CC[C@H](CN(C)Cc2ccc(F)cc2)O1 ZINC000052346223 519980542 /nfs/dbraw/zinc/98/05/42/519980542.db2.gz QKCBNIMMOBVLSW-HZPDHXFCSA-N 1 3 280.387 2.415 10 0 CEAEHO CC[NH2+]Cc1cccc(CN(C)C[C@@H]2CCCO2)c1 ZINC000052540851 520004807 /nfs/dbraw/zinc/00/48/07/520004807.db2.gz NONIXRUIRINQIJ-INIZCTEOSA-N 1 3 262.397 2.407 10 0 CEAEHO CCC[NH2+][C@H](C)CCN1CCN([C@H](C)CC)CC1 ZINC000055066142 520062237 /nfs/dbraw/zinc/06/22/37/520062237.db2.gz ALKONKZKALZNQY-HUUCEWRRSA-N 1 3 255.450 2.181 10 0 CEAEHO CCC[NH2+][C@H](CCC)CN1CCN(CC(C)C)CC1 ZINC000055078661 520069095 /nfs/dbraw/zinc/06/90/95/520069095.db2.gz VISNIBBYHIXGKV-MRXNPFEDSA-N 1 3 269.477 2.428 10 0 CEAEHO CC[NH2+][C@H](CN1CCN(CC(C)C)CC1)C(C)(C)C ZINC000055079320 520198318 /nfs/dbraw/zinc/19/83/18/520198318.db2.gz MTTKYKDINHJYEL-OAHLLOKOSA-N 1 3 269.477 2.284 10 0 CEAEHO CCCCC[NH2+]C[C@H](C)N1CCN(CC(C)C)CC1 ZINC000055075927 520223860 /nfs/dbraw/zinc/22/38/60/520223860.db2.gz GHNCQWJNNGHPJU-INIZCTEOSA-N 1 3 269.477 2.428 10 0 CEAEHO CC[NH+](CC)[C@@H]1CCN([C@@H]2CNCc3ccccc32)C1 ZINC000069267431 520848004 /nfs/dbraw/zinc/84/80/04/520848004.db2.gz PSNNLYUUFZLCAY-NVXWUHKLSA-N 1 3 273.424 2.247 10 0 CEAEHO CCN([C@H](C)COC)[C@@H](CC[NH3+])c1ccccc1 ZINC000055017412 521477171 /nfs/dbraw/zinc/47/71/71/521477171.db2.gz CXVLMJSRWURPCO-HIFRSBDPSA-N 1 3 250.386 2.433 10 0 CEAEHO CCCN(CCN(C)C)C[C@@]1(C[NH2+]C(C)(C)C)CCOC1 ZINC000051254370 521656713 /nfs/dbraw/zinc/65/67/13/521656713.db2.gz RWVVGBSPEVAFRQ-KRWDZBQOSA-N 1 3 299.503 2.055 10 0 CEAEHO CCN1CCN(C[C@@H]2C[C@@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054559455 521685743 /nfs/dbraw/zinc/68/57/43/521685743.db2.gz ZDLHGGDFHWONHB-JYJNAYRXSA-N 1 3 267.461 2.024 10 0 CEAEHO CC[C@@H](C)N1CCN(CC[C@H]([NH2+]C)C(C)(C)C)CC1 ZINC000055072438 522121282 /nfs/dbraw/zinc/12/12/82/522121282.db2.gz ZSJHKYIFRWKLQT-CABCVRRESA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@](C)(C[NH3+])c2ccccc2)CC1 ZINC000055072031 522124947 /nfs/dbraw/zinc/12/49/47/522124947.db2.gz KAHGDJSKHJDPFT-AEFFLSMTSA-N 1 3 289.467 2.319 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](C[NH3+])c2ccc(C)s2)CC1 ZINC000055063801 522129059 /nfs/dbraw/zinc/12/90/59/522129059.db2.gz HEJACUXUUVTISX-OCCSQVGLSA-N 1 3 281.469 2.472 10 0 CEAEHO CCc1nc(N2CCCN(C)CC2)sc1C[NH2+]C(C)C ZINC000054968960 522385255 /nfs/dbraw/zinc/38/52/55/522385255.db2.gz AKYZGUOQSZAYDJ-UHFFFAOYSA-N 1 3 296.484 2.345 10 0 CEAEHO C[NH2+][C@H](C)CCCN1CCN(c2ccccc2)CC1 ZINC000045598969 522439954 /nfs/dbraw/zinc/43/99/54/522439954.db2.gz QJTRYDDSCCQHOE-OAHLLOKOSA-N 1 3 261.413 2.197 10 0 CEAEHO CC[C@@H]([NH3+])[C@@H](N1CCN(CC(C)C)CC1)C(C)(C)C ZINC000055077223 522647027 /nfs/dbraw/zinc/64/70/27/522647027.db2.gz LWCDITSLKIXXMO-HUUCEWRRSA-N 1 3 269.477 2.412 10 0 CEAEHO CN(c1nc2c(s1)[C@H]([NH3+])CCC2)C1CCN(C)CC1 ZINC000054864021 523666314 /nfs/dbraw/zinc/66/63/14/523666314.db2.gz YOEMGWMHIQOVGU-LLVKDONJSA-N 1 3 280.441 2.010 10 0 CEAEHO COCCN(C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1)C1CC1 ZINC000052542524 523733628 /nfs/dbraw/zinc/73/36/28/523733628.db2.gz YAQPWOUETJKEAO-LSDHHAIUSA-N 1 3 284.444 2.033 10 0 CEAEHO CC[C@H](C)N1CCN(CC2([NH3+])CCCCC2)CC1 ZINC000055083498 523953039 /nfs/dbraw/zinc/95/30/39/523953039.db2.gz QYFWFNSZEJONQJ-AWEZNQCLSA-N 1 3 253.434 2.064 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@H]([NH2+]C)C(C)(C)C)CC1 ZINC000055065217 523955379 /nfs/dbraw/zinc/95/53/79/523955379.db2.gz KDKARGWBQBALTF-KBPBESRZSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[C@H](C)N1CCN([C@](C)(C[NH3+])CC(C)C)CC1 ZINC000055064758 523959832 /nfs/dbraw/zinc/95/98/32/523959832.db2.gz WFXUYHUJRKCECB-GJZGRUSLSA-N 1 3 255.450 2.166 10 0 CEAEHO C[NH+](C)C1CCN([C@@H](CN)c2cc3ccccc3o2)CC1 ZINC000068811251 524040743 /nfs/dbraw/zinc/04/07/43/524040743.db2.gz IMUFXTXTCVWHPB-HNNXBMFYSA-N 1 3 287.407 2.459 10 0 CEAEHO Cc1ccc(C[NH3+])c(N2CCN(CC(C)C)CC2)c1 ZINC000055076818 524424238 /nfs/dbraw/zinc/42/42/38/524424238.db2.gz JOXPAFYPRVFCJC-UHFFFAOYSA-N 1 3 261.413 2.232 10 0 CEAEHO C[C@H]([NH3+])c1ccc(NC(=O)N2CCC[C@@H]2CN(C)C)cc1 ZINC000061655768 524866796 /nfs/dbraw/zinc/86/67/96/524866796.db2.gz QJTXTPWZDBNESK-SWLSCSKDSA-N 1 3 290.411 2.264 10 0 CEAEHO Cc1ncc(CNC[C@@]2([NH+](C)C)CCC[C@H](C)C2)[nH]1 ZINC000054822435 526887494 /nfs/dbraw/zinc/88/74/94/526887494.db2.gz AAMVFKHRCWEBCH-SWLSCSKDSA-N 1 3 264.417 2.318 10 0 CEAEHO Cc1nc(N2CCC([NH+](C)C)CC2)sc1[C@H](C)N ZINC000054895670 526963147 /nfs/dbraw/zinc/96/31/47/526963147.db2.gz IZHZVEQXLKKSRD-VIFPVBQESA-N 1 3 268.430 2.002 10 0 CEAEHO [NH3+]Cc1cc(Cl)ccc1N1CCN(CC2CC2)CC1 ZINC000052857149 527248446 /nfs/dbraw/zinc/24/84/46/527248446.db2.gz URDUQNMJYREBET-UHFFFAOYSA-N 1 3 279.815 2.331 10 0 CEAEHO [NH3+]Cc1ccc(F)c(CN2CCC[C@H]2CCCO)c1 ZINC000052758470 527254648 /nfs/dbraw/zinc/25/46/48/527254648.db2.gz KRNWEWRHQFMMJD-AWEZNQCLSA-N 1 3 266.360 2.021 10 0 CEAEHO [NH3+][C@H]1CCCC[C@@H]1CN1CCN(C2CCCC2)CC1 ZINC000053859877 527396761 /nfs/dbraw/zinc/39/67/61/527396761.db2.gz JNMCHGGOEGVRFL-ZBFHGGJFSA-N 1 3 265.445 2.064 10 0 CEAEHO C1CC1[NH+]1CCC2(CC1)N[C@@H]1CCCC[C@H]1CO2 ZINC000757138106 574510115 /nfs/dbraw/zinc/51/01/15/574510115.db2.gz ASHIXBZKTMVZQD-GXTWGEPZSA-N 1 3 250.386 2.120 10 0 CEAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cncc4ccccc43)C[C@H]12 ZINC000312652280 628360713 /nfs/dbraw/zinc/36/07/13/628360713.db2.gz FXGZAMIRLUZIPB-RRQGHBQHSA-N 1 3 267.376 2.404 10 0 CEAEHO [NH3+]CCCN1CCN([C@H]2CCCc3ccccc32)CC1 ZINC000039173054 343435350 /nfs/dbraw/zinc/43/53/50/343435350.db2.gz UUFAPTHUEHHMIS-KRWDZBQOSA-N 1 3 273.424 2.030 10 0 CEAEHO COc1c(Cl)cccc1N1CCN(CCCC[NH3+])CC1 ZINC000090609564 344141839 /nfs/dbraw/zinc/14/18/39/344141839.db2.gz AXQNYRWWPAVLSM-UHFFFAOYSA-N 1 3 297.830 2.210 10 0 CEAEHO CC(=O)Nc1cccc(C2CCN(CCC[NH3+])CC2)c1 ZINC000147421963 344412394 /nfs/dbraw/zinc/41/23/94/344412394.db2.gz HFWZERJLIXANPB-UHFFFAOYSA-N 1 3 275.396 2.173 10 0 CEAEHO c1ccc(CN2CCC(OC3CC[NH2+]CC3)CC2)cc1 ZINC000396156619 344846660 /nfs/dbraw/zinc/84/66/60/344846660.db2.gz HRHVRDOAPZHVCT-UHFFFAOYSA-N 1 3 274.408 2.420 10 0 CEAEHO CCC1(CC)C[N@H+](CCn2ccnc2C)[C@@H](C)CN1 ZINC000085516792 179087614 /nfs/dbraw/zinc/08/76/14/179087614.db2.gz UKDYELHQVDKGNR-ZDUSSCGKSA-N 1 3 264.417 2.044 10 0 CEAEHO CCC1(CC)C[N@@H+](CCn2ccnc2C)[C@@H](C)CN1 ZINC000085516792 179087615 /nfs/dbraw/zinc/08/76/15/179087615.db2.gz UKDYELHQVDKGNR-ZDUSSCGKSA-N 1 3 264.417 2.044 10 0 CEAEHO Cc1nccn1CC[N@@H+]1C[C@@H](C2CC2)NC[C@@H]1C(C)(C)C ZINC000085526799 179089495 /nfs/dbraw/zinc/08/94/95/179089495.db2.gz KRXLDZSMZJXMAT-JKSUJKDBSA-N 1 3 290.455 2.290 10 0 CEAEHO Cc1nccn1CC[N@H+]1C[C@@H](C2CC2)NC[C@@H]1C(C)(C)C ZINC000085526799 179089497 /nfs/dbraw/zinc/08/94/97/179089497.db2.gz KRXLDZSMZJXMAT-JKSUJKDBSA-N 1 3 290.455 2.290 10 0 CEAEHO C[C@H]1CC[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CCCO1 ZINC000085624335 179107177 /nfs/dbraw/zinc/10/71/77/179107177.db2.gz HVIDODIXTBRKFF-MELADBBJSA-N 1 3 254.418 2.264 10 0 CEAEHO C[C@H]1CCN[C@@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085624335 179107179 /nfs/dbraw/zinc/10/71/79/179107179.db2.gz HVIDODIXTBRKFF-MELADBBJSA-N 1 3 254.418 2.264 10 0 CEAEHO C[C@H]1CCN[C@@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCCO1 ZINC000085624335 179107181 /nfs/dbraw/zinc/10/71/81/179107181.db2.gz HVIDODIXTBRKFF-MELADBBJSA-N 1 3 254.418 2.264 10 0 CEAEHO CC(C)[C@@H]1C[N@H+](C[C@@H]2CCCCO2)[C@@H](C)CCN1 ZINC000085618231 179104756 /nfs/dbraw/zinc/10/47/56/179104756.db2.gz PWPQWOCMGKYIGU-KKUMJFAQSA-N 1 3 254.418 2.264 10 0 CEAEHO CC(C)[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)[C@@H](C)CCN1 ZINC000085618231 179104759 /nfs/dbraw/zinc/10/47/59/179104759.db2.gz PWPQWOCMGKYIGU-KKUMJFAQSA-N 1 3 254.418 2.264 10 0 CEAEHO CC(C)[C@@H]1C[N@H+](C[C@@H]2CCCCN2C)[C@@H](C(C)C)CN1 ZINC000086173760 179244515 /nfs/dbraw/zinc/24/45/15/179244515.db2.gz CPGBFYFSCGXKOI-YESZJQIVSA-N 1 3 281.488 2.425 10 0 CEAEHO CC(C)[C@@H]1C[N@@H+](C[C@@H]2CCCCN2C)[C@@H](C(C)C)CN1 ZINC000086173760 179244518 /nfs/dbraw/zinc/24/45/18/179244518.db2.gz CPGBFYFSCGXKOI-YESZJQIVSA-N 1 3 281.488 2.425 10 0 CEAEHO CC[C@@H]1CNC2(CCCCC2)C[N@@H+]1[C@@H]1CCCN(C)C1 ZINC000086223970 179253747 /nfs/dbraw/zinc/25/37/47/179253747.db2.gz KFKRHWOOPQUDPX-HZPDHXFCSA-N 1 3 279.472 2.467 10 0 CEAEHO CC[C@@H]1CNC2(CCCCC2)C[N@H+]1[C@@H]1CCCN(C)C1 ZINC000086223970 179253748 /nfs/dbraw/zinc/25/37/48/179253748.db2.gz KFKRHWOOPQUDPX-HZPDHXFCSA-N 1 3 279.472 2.467 10 0 CEAEHO CC[C@@H]1C[NH2+]C2(CCCCC2)CN1[C@@H]1CCCN(C)C1 ZINC000086223970 179253750 /nfs/dbraw/zinc/25/37/50/179253750.db2.gz KFKRHWOOPQUDPX-HZPDHXFCSA-N 1 3 279.472 2.467 10 0 CEAEHO CN1CCC[C@@H]([N@@H+]2CCCN[C@@](C)(c3ccccc3)C2)C1 ZINC000086288936 179264220 /nfs/dbraw/zinc/26/42/20/179264220.db2.gz NVSXFLAPBLCVJZ-QZTJIDSGSA-N 1 3 287.451 2.291 10 0 CEAEHO CN1CCC[C@@H]([N@H+]2CCCN[C@@](C)(c3ccccc3)C2)C1 ZINC000086288936 179264222 /nfs/dbraw/zinc/26/42/22/179264222.db2.gz NVSXFLAPBLCVJZ-QZTJIDSGSA-N 1 3 287.451 2.291 10 0 CEAEHO CC[C@@H](C)[C@@H]1CN([C@@H]2CCCN(CC)C2)CCC[NH2+]1 ZINC000086289411 179264429 /nfs/dbraw/zinc/26/44/29/179264429.db2.gz JZKGDSOYSJTQFV-OAGGEKHMSA-N 1 3 267.461 2.181 10 0 CEAEHO C[C@]1(C2CC2)C[N@H+](CCc2ccncc2)CCCN1 ZINC000086288764 179265028 /nfs/dbraw/zinc/26/50/28/179265028.db2.gz OZQFRHJIOZDSNF-MRXNPFEDSA-N 1 3 259.397 2.088 10 0 CEAEHO C[C@]1(C2CC2)C[N@@H+](CCc2ccncc2)CCCN1 ZINC000086288764 179265029 /nfs/dbraw/zinc/26/50/29/179265029.db2.gz OZQFRHJIOZDSNF-MRXNPFEDSA-N 1 3 259.397 2.088 10 0 CEAEHO CC(C)(C)[C@@H]1C[N@H+](CC[C@@H]2CCCO2)CCCN1 ZINC000086291399 179265704 /nfs/dbraw/zinc/26/57/04/179265704.db2.gz MRKQTFLBUNMGMW-KBPBESRZSA-N 1 3 254.418 2.266 10 0 CEAEHO CC(C)(C)[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)CCCN1 ZINC000086291399 179265705 /nfs/dbraw/zinc/26/57/05/179265705.db2.gz MRKQTFLBUNMGMW-KBPBESRZSA-N 1 3 254.418 2.266 10 0 CEAEHO CC(C)(C)[C@@H]1CN(CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291399 179265708 /nfs/dbraw/zinc/26/57/08/179265708.db2.gz MRKQTFLBUNMGMW-KBPBESRZSA-N 1 3 254.418 2.266 10 0 CEAEHO CN1CCC[C@H](C[N@@H+]2CCCN[C@H](c3ccccc3)C2)C1 ZINC000086291627 179266367 /nfs/dbraw/zinc/26/63/67/179266367.db2.gz DRHJMQWTVMUGDV-WMZOPIPTSA-N 1 3 287.451 2.365 10 0 CEAEHO CN1CCC[C@H](C[N@H+]2CCCN[C@H](c3ccccc3)C2)C1 ZINC000086291627 179266368 /nfs/dbraw/zinc/26/63/68/179266368.db2.gz DRHJMQWTVMUGDV-WMZOPIPTSA-N 1 3 287.451 2.365 10 0 CEAEHO CO[C@H]1CCC[C@H]1[N@@H+]1CCCN[C@H](C(C)(C)C)C1 ZINC000086293550 179268368 /nfs/dbraw/zinc/26/83/68/179268368.db2.gz SINMLWBNTGBYJB-RDBSUJKOSA-N 1 3 254.418 2.264 10 0 CEAEHO CO[C@H]1CCC[C@H]1[N@H+]1CCCN[C@H](C(C)(C)C)C1 ZINC000086293550 179268369 /nfs/dbraw/zinc/26/83/69/179268369.db2.gz SINMLWBNTGBYJB-RDBSUJKOSA-N 1 3 254.418 2.264 10 0 CEAEHO CO[C@H]1CCC[C@H]1N1CCC[NH2+][C@H](C(C)(C)C)C1 ZINC000086293550 179268370 /nfs/dbraw/zinc/26/83/70/179268370.db2.gz SINMLWBNTGBYJB-RDBSUJKOSA-N 1 3 254.418 2.264 10 0 CEAEHO CN[C@@H]1CCCc2sc(N(C)C[C@@H]3CC[N@H+](C)C3)nc21 ZINC000086444118 179293914 /nfs/dbraw/zinc/29/39/14/179293914.db2.gz WKTOVOLSYZGNKH-VXGBXAGGSA-N 1 3 294.468 2.128 10 0 CEAEHO CN[C@@H]1CCCc2sc(N(C)C[C@@H]3CC[N@@H+](C)C3)nc21 ZINC000086444118 179293915 /nfs/dbraw/zinc/29/39/15/179293915.db2.gz WKTOVOLSYZGNKH-VXGBXAGGSA-N 1 3 294.468 2.128 10 0 CEAEHO CC(C)n1c2ccc(C[NH3+])cc2nc1CCN(C)C ZINC000086641463 179315228 /nfs/dbraw/zinc/31/52/28/179315228.db2.gz NALWQEGGNVRZSI-UHFFFAOYSA-N 1 3 260.385 2.180 10 0 CEAEHO CCN1CCC[C@@](CN)([N@@H+]2CCCC2(C)C)CC1 ZINC000086848646 179357356 /nfs/dbraw/zinc/35/73/56/179357356.db2.gz QBXNQXSORLOODG-OAHLLOKOSA-N 1 3 253.434 2.064 10 0 CEAEHO CCN1CCC[C@@](CN)([N@H+]2CCCC2(C)C)CC1 ZINC000086848646 179357358 /nfs/dbraw/zinc/35/73/58/179357358.db2.gz QBXNQXSORLOODG-OAHLLOKOSA-N 1 3 253.434 2.064 10 0 CEAEHO CC(C)[N@@H+]1CCC[C@H](NCCN2CCCCC2)CC1 ZINC000086843110 179352436 /nfs/dbraw/zinc/35/24/36/179352436.db2.gz PKUJEYMVBLZYFC-INIZCTEOSA-N 1 3 267.461 2.325 10 0 CEAEHO CC(C)[N@H+]1CCC[C@H](NCCN2CCCCC2)CC1 ZINC000086843110 179352437 /nfs/dbraw/zinc/35/24/37/179352437.db2.gz PKUJEYMVBLZYFC-INIZCTEOSA-N 1 3 267.461 2.325 10 0 CEAEHO CC(C)N1CCC[C@@H]([NH2+]CCc2ccncc2)CC1 ZINC000086840949 179353364 /nfs/dbraw/zinc/35/33/64/179353364.db2.gz DFJOQBFREANEBY-MRXNPFEDSA-N 1 3 261.413 2.477 10 0 CEAEHO CC(C)[N@@H+]1CCC[C@@H](NCCc2ccncc2)CC1 ZINC000086840949 179353367 /nfs/dbraw/zinc/35/33/67/179353367.db2.gz DFJOQBFREANEBY-MRXNPFEDSA-N 1 3 261.413 2.477 10 0 CEAEHO CC(C)[N@H+]1CCC[C@@H](NCCc2ccncc2)CC1 ZINC000086840949 179353369 /nfs/dbraw/zinc/35/33/69/179353369.db2.gz DFJOQBFREANEBY-MRXNPFEDSA-N 1 3 261.413 2.477 10 0 CEAEHO CCCN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2OC)CC1 ZINC000086843858 179354674 /nfs/dbraw/zinc/35/46/74/179354674.db2.gz CCZQAGNTJZCTMQ-ZNMIVQPWSA-N 1 3 254.418 2.408 10 0 CEAEHO CCC[N@@H+]1CCC[C@H](N[C@@H]2CCC[C@@H]2OC)CC1 ZINC000086843858 179354676 /nfs/dbraw/zinc/35/46/76/179354676.db2.gz CCZQAGNTJZCTMQ-ZNMIVQPWSA-N 1 3 254.418 2.408 10 0 CEAEHO CCC[N@H+]1CCC[C@H](N[C@@H]2CCC[C@@H]2OC)CC1 ZINC000086843858 179354677 /nfs/dbraw/zinc/35/46/77/179354677.db2.gz CCZQAGNTJZCTMQ-ZNMIVQPWSA-N 1 3 254.418 2.408 10 0 CEAEHO CCCN1CCC[C@@](CN)([N@H+](CC2CC2)C2CC2)CC1 ZINC000086848959 179358383 /nfs/dbraw/zinc/35/83/83/179358383.db2.gz LGKBTLYMWVPZSW-QGZVFWFLSA-N 1 3 279.472 2.454 10 0 CEAEHO CCCN1CCC[C@@](CN)([N@@H+](CC2CC2)C2CC2)CC1 ZINC000086848959 179358385 /nfs/dbraw/zinc/35/83/85/179358385.db2.gz LGKBTLYMWVPZSW-QGZVFWFLSA-N 1 3 279.472 2.454 10 0 CEAEHO CCC[NH2+][C@@H]1CC(C)(C)Cc2c1cnn2CCN(C)C ZINC000087862382 179504514 /nfs/dbraw/zinc/50/45/14/179504514.db2.gz XYURQUMUKDJEEF-CQSZACIVSA-N 1 3 278.444 2.458 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[NH+]1CCCCCCC1 ZINC000090566082 180005899 /nfs/dbraw/zinc/00/58/99/180005899.db2.gz NTPVGRFCZRLWAX-HUUCEWRRSA-N 1 3 254.418 2.267 10 0 CEAEHO O=C(CN1CCC[C@H]1C1CC[NH2+]CC1)Nc1ccccc1 ZINC000090694624 180026416 /nfs/dbraw/zinc/02/64/16/180026416.db2.gz HYNVHQWSKYPJJC-INIZCTEOSA-N 1 3 287.407 2.089 10 0 CEAEHO COCC[NH2+]Cc1cccc(SCCN(C)C)c1 ZINC000090873279 180050213 /nfs/dbraw/zinc/05/02/13/180050213.db2.gz GESKJMITNASHGS-UHFFFAOYSA-N 1 3 268.426 2.076 10 0 CEAEHO CC[N@H+](C[C@@H]1Cc2cc(F)ccc2O1)C1CCNCC1 ZINC000090894265 180056384 /nfs/dbraw/zinc/05/63/84/180056384.db2.gz ACQHMYQYXLZFFZ-HNNXBMFYSA-N 1 3 278.371 2.203 10 0 CEAEHO CC[N@@H+](C[C@@H]1Cc2cc(F)ccc2O1)C1CCNCC1 ZINC000090894265 180056385 /nfs/dbraw/zinc/05/63/85/180056385.db2.gz ACQHMYQYXLZFFZ-HNNXBMFYSA-N 1 3 278.371 2.203 10 0 CEAEHO Cc1ccc2c(c1)C[C@@H](CNCC(C)(C)C[NH+](C)C)O2 ZINC000090897125 180057355 /nfs/dbraw/zinc/05/73/55/180057355.db2.gz JFITVVIHOOGUOX-HNNXBMFYSA-N 1 3 276.424 2.476 10 0 CEAEHO CC(C)[N@H+](CC[C@H]1CNCCO1)Cc1ccccc1 ZINC000091313563 180133018 /nfs/dbraw/zinc/13/30/18/180133018.db2.gz ALKAZHCCAUWRBS-INIZCTEOSA-N 1 3 262.397 2.276 10 0 CEAEHO CC(C)[N@@H+](CC[C@H]1CNCCO1)Cc1ccccc1 ZINC000091313563 180133019 /nfs/dbraw/zinc/13/30/19/180133019.db2.gz ALKAZHCCAUWRBS-INIZCTEOSA-N 1 3 262.397 2.276 10 0 CEAEHO CCC[C@@H](CC[NH3+])CCC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000091393979 180145540 /nfs/dbraw/zinc/14/55/40/180145540.db2.gz XEMDASKPUORCDC-HUUCEWRRSA-N 1 3 283.460 2.084 10 0 CEAEHO CC[NH2+][C@H](C)C(C)(C)CN1CCN(C)[C@@H](CC)C1 ZINC000091405116 180146835 /nfs/dbraw/zinc/14/68/35/180146835.db2.gz APCPDXUPTHPFAZ-KGLIPLIRSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[NH2+][C@H](C)C(C)(C)CN(C)CC1CCOCC1 ZINC000091405184 180147145 /nfs/dbraw/zinc/14/71/45/180147145.db2.gz CYORYHDMXKIKMS-CYBMUJFWSA-N 1 3 256.434 2.369 10 0 CEAEHO CCN[C@H](C)C(C)(C)C[N@H+](C)CC1CCOCC1 ZINC000091405184 180147146 /nfs/dbraw/zinc/14/71/46/180147146.db2.gz CYORYHDMXKIKMS-CYBMUJFWSA-N 1 3 256.434 2.369 10 0 CEAEHO CCN[C@H](C)C(C)(C)C[N@@H+](C)CC1CCOCC1 ZINC000091405184 180147148 /nfs/dbraw/zinc/14/71/48/180147148.db2.gz CYORYHDMXKIKMS-CYBMUJFWSA-N 1 3 256.434 2.369 10 0 CEAEHO CC[C@@](C)([C@H](N)Cc1cnccc1N)[NH+]1CCCCC1 ZINC000091609045 180205516 /nfs/dbraw/zinc/20/55/16/180205516.db2.gz LSSQHKXFLOOOAX-CVEARBPZSA-N 1 3 276.428 2.188 10 0 CEAEHO CC[C@@](C)([C@H]([NH3+])Cc1cnccc1N)N1CCCCC1 ZINC000091609045 180205518 /nfs/dbraw/zinc/20/55/18/180205518.db2.gz LSSQHKXFLOOOAX-CVEARBPZSA-N 1 3 276.428 2.188 10 0 CEAEHO C[NH2+]C1CCC(N(C)[C@@H](C)C(=O)NC2CCCCC2)CC1 ZINC000091870608 180276923 /nfs/dbraw/zinc/27/69/23/180276923.db2.gz GUKSRVYUCIZHTL-HLIUYOAVSA-N 1 3 295.471 2.286 10 0 CEAEHO C[NH2+]C1CCC(N(C)Cc2ccn(C(C)C)n2)CC1 ZINC000091870689 180277534 /nfs/dbraw/zinc/27/75/34/180277534.db2.gz AWVIREZOGJFPTQ-UHFFFAOYSA-N 1 3 264.417 2.426 10 0 CEAEHO C[C@@H]1C[NH+](CCC(=O)Nc2cccc(CN)c2)C[C@H]1C ZINC000092082100 180319384 /nfs/dbraw/zinc/31/93/84/180319384.db2.gz VSZIKZGBJOKAFQ-CHWSQXEVSA-N 1 3 275.396 2.062 10 0 CEAEHO CCCNCC1(C[N@@H+]2C[C@H](C)[C@H](C)C2)CCOCC1 ZINC000092088578 180321099 /nfs/dbraw/zinc/32/10/99/180321099.db2.gz YWXXWXHFNRXDQL-GASCZTMLSA-N 1 3 268.445 2.371 10 0 CEAEHO CCCNCC1(C[N@H+]2C[C@H](C)[C@H](C)C2)CCOCC1 ZINC000092088578 180321102 /nfs/dbraw/zinc/32/11/02/180321102.db2.gz YWXXWXHFNRXDQL-GASCZTMLSA-N 1 3 268.445 2.371 10 0 CEAEHO C[NH2+]C[C@@H]1CCN(C[C@@H]2Cc3ccccc3S2)C1 ZINC000092267755 180355417 /nfs/dbraw/zinc/35/54/17/180355417.db2.gz AMSMMZGRYKQSSI-JSGCOSHPSA-N 1 3 262.422 2.245 10 0 CEAEHO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C[C@@H]1Cc2ccccc2S1 ZINC000092268039 180355602 /nfs/dbraw/zinc/35/56/02/180355602.db2.gz UJQNDYNECWNJGX-RZFFKMDDSA-N 1 3 274.433 2.243 10 0 CEAEHO CCNc1ccnc(CN(C)C2CC[NH+](CC)CC2)c1 ZINC000092418644 180380987 /nfs/dbraw/zinc/38/09/87/180380987.db2.gz VHAMXYYNLXRQHO-UHFFFAOYSA-N 1 3 276.428 2.430 10 0 CEAEHO CC[NH2+][C@@H](C)[C@@H](C)c1nc(CCN(CC)CC)no1 ZINC000109496289 186256476 /nfs/dbraw/zinc/25/64/76/186256476.db2.gz VEMBHGHCXWWDBP-NEPJUHHUSA-N 1 3 268.405 2.055 10 0 CEAEHO CC[NH2+]Cc1sc(N2CC[C@@H](N3CCCC3)C2)nc1C ZINC000110275611 186289760 /nfs/dbraw/zinc/28/97/60/186289760.db2.gz PSZNACMKKZYPGV-CYBMUJFWSA-N 1 3 294.468 2.236 10 0 CEAEHO CC[NH+](CC)[C@H]1CCN(C[C@@H]2Cc3ccccc3CN2)C1 ZINC000110370649 186294927 /nfs/dbraw/zinc/29/49/27/186294927.db2.gz YAZKDUNDOOOVOX-ROUUACIJSA-N 1 3 287.451 2.117 10 0 CEAEHO COc1cc2c(cc1F)nc(N)n2CC(C)(C)C[NH+](C)C ZINC000110629210 186306879 /nfs/dbraw/zinc/30/68/79/186306879.db2.gz VYDAEDLUTGSZKQ-UHFFFAOYSA-N 1 3 294.374 2.354 10 0 CEAEHO CCn1cc([C@H](C)N2CCC([C@H](C)[NH3+])CC2)cn1 ZINC000110645694 186308908 /nfs/dbraw/zinc/30/89/08/186308908.db2.gz LSDHHTFNEHSMFD-RYUDHWBXSA-N 1 3 250.390 2.023 10 0 CEAEHO C[N@H+](CC1CCCC1)C[C@]1(CNC2CC2)CCOC1 ZINC000110841813 186328639 /nfs/dbraw/zinc/32/86/39/186328639.db2.gz YFQFVGVCDILDFX-MRXNPFEDSA-N 1 3 266.429 2.267 10 0 CEAEHO C[N@@H+](CC1CCCC1)C[C@]1(CNC2CC2)CCOC1 ZINC000110841813 186328640 /nfs/dbraw/zinc/32/86/40/186328640.db2.gz YFQFVGVCDILDFX-MRXNPFEDSA-N 1 3 266.429 2.267 10 0 CEAEHO CN(CC1CCCC1)C[C@]1(C[NH2+]C2CC2)CCOC1 ZINC000110841813 186328642 /nfs/dbraw/zinc/32/86/42/186328642.db2.gz YFQFVGVCDILDFX-MRXNPFEDSA-N 1 3 266.429 2.267 10 0 CEAEHO CN1CCN(Cc2oc3ccccc3c2C[NH3+])CC1(C)C ZINC000110754637 186320894 /nfs/dbraw/zinc/32/08/94/186320894.db2.gz QHDCRCTVUMLVNM-UHFFFAOYSA-N 1 3 287.407 2.418 10 0 CEAEHO CCN1CCN(CCCCC[NH2+]CC(C)C)C[C@@H]1C ZINC000110752522 186321185 /nfs/dbraw/zinc/32/11/85/186321185.db2.gz GBJOGHTVMSKCKN-INIZCTEOSA-N 1 3 269.477 2.428 10 0 CEAEHO CC[C@@H]1CN([C@@H](C)C[NH2+]C(C)(C)CC)CCN1C ZINC000110757264 186321449 /nfs/dbraw/zinc/32/14/49/186321449.db2.gz HOIOQDBIHXLTKX-UONOGXRCSA-N 1 3 255.450 2.179 10 0 CEAEHO C[C@@H]1CN(CCCCC[NH2+]C(C)(C)C)CCN1C ZINC000110751251 186321509 /nfs/dbraw/zinc/32/15/09/186321509.db2.gz SLROMWUPFONACD-CQSZACIVSA-N 1 3 255.450 2.181 10 0 CEAEHO CN1CCN(Cc2cccc(C[NH2+]C3CC3)c2)CC1(C)C ZINC000110754990 186322122 /nfs/dbraw/zinc/32/21/22/186322122.db2.gz NRIHVBGXONENPG-UHFFFAOYSA-N 1 3 287.451 2.465 10 0 CEAEHO CCCNCc1cc(CN(C)CCC[NH+](C)C)c(C)o1 ZINC000111150364 186360932 /nfs/dbraw/zinc/36/09/32/186360932.db2.gz SFDBVCZMZAVLSN-UHFFFAOYSA-N 1 3 281.444 2.471 10 0 CEAEHO C[C@H]1CC(C)(C)C[C@](C[NH3+])(N(C)CCN(C)C)C1 ZINC000111132457 186356335 /nfs/dbraw/zinc/35/63/35/186356335.db2.gz BIOCJZXENDPPHT-DZGCQCFKSA-N 1 3 255.450 2.024 10 0 CEAEHO C[C@H]1CC(C)(C)C[C@](CN)([N@H+](C)CCN(C)C)C1 ZINC000111132457 186356336 /nfs/dbraw/zinc/35/63/36/186356336.db2.gz BIOCJZXENDPPHT-DZGCQCFKSA-N 1 3 255.450 2.024 10 0 CEAEHO C[C@H]1CC(C)(C)C[C@](CN)([N@@H+](C)CCN(C)C)C1 ZINC000111132457 186356338 /nfs/dbraw/zinc/35/63/38/186356338.db2.gz BIOCJZXENDPPHT-DZGCQCFKSA-N 1 3 255.450 2.024 10 0 CEAEHO CC[NH2+][C@H](CN(C)CCN(C)C)c1cc(C)ccc1C ZINC000111134950 186357018 /nfs/dbraw/zinc/35/70/18/186357018.db2.gz MHJREYKEUKVEGO-QGZVFWFLSA-N 1 3 277.456 2.447 10 0 CEAEHO CC[NH2+][C@H](CN(C)CCN(C)C)c1ccc(C)cc1 ZINC000111134914 186357123 /nfs/dbraw/zinc/35/71/23/186357123.db2.gz RGIDRFAPDGEITP-MRXNPFEDSA-N 1 3 263.429 2.139 10 0 CEAEHO CCc1ccc([C@@H](N)CN(C)CCC[NH+](C)C)cc1 ZINC000111136125 186357423 /nfs/dbraw/zinc/35/74/23/186357423.db2.gz YYYKUKXINNVYKM-INIZCTEOSA-N 1 3 263.429 2.132 10 0 CEAEHO CNCc1cc2ccccc2nc1N(C)CCC[NH+](C)C ZINC000111140987 186357521 /nfs/dbraw/zinc/35/75/21/186357521.db2.gz JVEQUOWUXYJQHX-UHFFFAOYSA-N 1 3 286.423 2.342 10 0 CEAEHO CN(CC[NH+](C)C)C[C@@H](N)c1cccc(C(F)(F)F)c1 ZINC000111135381 186357966 /nfs/dbraw/zinc/35/79/66/186357966.db2.gz UDIUKVGPYWBKAF-CYBMUJFWSA-N 1 3 289.345 2.199 10 0 CEAEHO CCC[NH2+]C[C@]1(CN2CCCCC2)CCCOC1 ZINC000111324016 186397776 /nfs/dbraw/zinc/39/77/76/186397776.db2.gz ZIRRFSWBNROXIU-HNNXBMFYSA-N 1 3 254.418 2.269 10 0 CEAEHO CCC[NH2+]C[C@]1(CN(CCO)C2CCCC2)CCCOC1 ZINC000111327406 186399298 /nfs/dbraw/zinc/39/92/98/186399298.db2.gz GJPBOACUUIPACI-KRWDZBQOSA-N 1 3 298.471 2.020 10 0 CEAEHO C[C@H]1CN2CCCC[C@@H]2CN1CCCC1CC[NH2+]CC1 ZINC000094440785 539879504 /nfs/dbraw/zinc/87/95/04/539879504.db2.gz VUXXLYGTRUPVBC-DOTOQJQBSA-N 1 3 279.472 2.325 10 0 CEAEHO CCO[C@@H]1CN(C[C@@H]2CCCCC2(F)F)C[C@H]1C[NH3+] ZINC000405316044 540134236 /nfs/dbraw/zinc/13/42/36/540134236.db2.gz WUFYWTKKLIJVBG-FRRDWIJNSA-N 1 3 276.371 2.108 10 0 CEAEHO C[C@@H](NCCOC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000583137952 367006528 /nfs/dbraw/zinc/00/65/28/367006528.db2.gz WEJFFUSDOWMPIF-ZIAGYGMSSA-N 1 3 254.418 2.313 10 0 CEAEHO C[C@@H]([NH2+]CCOC1CCCCC1)[C@@H]1CCCNC1 ZINC000583137952 367006534 /nfs/dbraw/zinc/00/65/34/367006534.db2.gz WEJFFUSDOWMPIF-ZIAGYGMSSA-N 1 3 254.418 2.313 10 0 CEAEHO CCC[C@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(C)C ZINC000161600404 367100223 /nfs/dbraw/zinc/10/02/23/367100223.db2.gz JHCMKJJQQXVSPY-OWCLPIDISA-N 1 3 297.487 2.201 10 0 CEAEHO CCC[C@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(C)C ZINC000161600404 367100227 /nfs/dbraw/zinc/10/02/27/367100227.db2.gz JHCMKJJQQXVSPY-OWCLPIDISA-N 1 3 297.487 2.201 10 0 CEAEHO CCC[C@@H](C(=O)NCC[C@@H](C)[NH+]1CCCCC1)N(C)C ZINC000183102408 368610809 /nfs/dbraw/zinc/61/08/09/368610809.db2.gz UZZHSQKJUHLMTC-CABCVRRESA-N 1 3 283.460 2.097 10 0 CEAEHO CCC[C@@H](N)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000236914137 189851859 /nfs/dbraw/zinc/85/18/59/189851859.db2.gz SUCCNPHBMFHTFP-MRXNPFEDSA-N 1 3 295.471 2.228 10 0 CEAEHO CCN1CCC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000250239443 371381401 /nfs/dbraw/zinc/38/14/01/371381401.db2.gz HCXWHWKMMJJCEV-LUKYLMHMSA-N 1 3 279.472 2.371 10 0 CEAEHO COc1ccc(C)cc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261590906 371667325 /nfs/dbraw/zinc/66/73/25/371667325.db2.gz LSJRUEXVVVLBGM-AEGPPILISA-N 1 3 260.381 2.173 10 0 CEAEHO Cc1cccc(NC[C@@H]2CCN(C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000261705475 371706875 /nfs/dbraw/zinc/70/68/75/371706875.db2.gz CXCABVWRVHHJQO-RDJZCZTQSA-N 1 3 288.439 2.123 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cnc4ccccc4c3)C[C@H]12 ZINC000261789394 371732685 /nfs/dbraw/zinc/73/26/85/371732685.db2.gz QHXPBIVYRXKXIJ-OWCLPIDISA-N 1 3 267.376 2.404 10 0 CEAEHO CCn1nc(C)c([C@@H](C)NCC2=CC[N@H+](C)CC2)c1C ZINC000344320891 217147995 /nfs/dbraw/zinc/14/79/95/217147995.db2.gz IVNDLKBXSRFHHI-GFCCVEGCSA-N 1 3 276.428 2.432 10 0 CEAEHO CCn1nc(C)c([C@@H](C)NCC2=CC[N@@H+](C)CC2)c1C ZINC000344320891 217147999 /nfs/dbraw/zinc/14/79/99/217147999.db2.gz IVNDLKBXSRFHHI-GFCCVEGCSA-N 1 3 276.428 2.432 10 0 CEAEHO CCOCCN1CCN(c2cc[nH+]c(C)c2)C[C@H]1CC ZINC000274320574 373878615 /nfs/dbraw/zinc/87/86/15/373878615.db2.gz CQJFMKNLZIDOGC-OAHLLOKOSA-N 1 3 277.412 2.327 10 0 CEAEHO COCC1CCN([C@H]2CCC[C@](CO)([NH2+]C(C)C)C2)CC1 ZINC000093781155 184720042 /nfs/dbraw/zinc/72/00/42/184720042.db2.gz OJFVICGNFCJEDF-IRXDYDNUSA-N 1 3 298.471 2.017 10 0 CEAEHO COCC1CC[NH+]([C@H]2CCC[C@](CO)(NC(C)C)C2)CC1 ZINC000093781155 184720043 /nfs/dbraw/zinc/72/00/43/184720043.db2.gz OJFVICGNFCJEDF-IRXDYDNUSA-N 1 3 298.471 2.017 10 0 CEAEHO CSC1(C[NH3+])CCN(Cc2cccc(O)c2)CC1 ZINC000094692301 184840193 /nfs/dbraw/zinc/84/01/93/184840193.db2.gz FFFNIFTZUDRSMY-UHFFFAOYSA-N 1 3 266.410 2.049 10 0 CEAEHO CCNCc1c(C)cc(C)nc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091449208 135070309 /nfs/dbraw/zinc/07/03/09/135070309.db2.gz VJOAYDCFACKBQV-HNNXBMFYSA-N 1 3 290.455 2.338 10 0 CEAEHO C[C@@H]([NH2+]CCc1cccc(F)c1)[C@@H]1CCCNC1 ZINC000575372942 395661208 /nfs/dbraw/zinc/66/12/08/395661208.db2.gz JSZSJVZGSFKTNQ-TZMCWYRMSA-N 1 3 250.361 2.346 10 0 CEAEHO C[C@@H](NCCc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000575372942 395661210 /nfs/dbraw/zinc/66/12/10/395661210.db2.gz JSZSJVZGSFKTNQ-TZMCWYRMSA-N 1 3 250.361 2.346 10 0 CEAEHO NC[C@@H](NC(=O)C1([NH3+])CCCC1)c1ccc2ccccc2c1 ZINC000262786416 153985393 /nfs/dbraw/zinc/98/53/93/153985393.db2.gz MSSMGFUYWHVQHV-MRXNPFEDSA-N 1 3 297.402 2.227 10 0 CEAEHO C[C@H]([NH3+])Cc1ccc(OCCN2CCCCC2)cc1 ZINC000006850838 170248952 /nfs/dbraw/zinc/24/89/52/170248952.db2.gz VSXMCXMPHABKPM-AWEZNQCLSA-N 1 3 262.397 2.441 10 0 CEAEHO COc1cccc(CC[NH3+])c1OCCN1CCCCC1 ZINC000011949125 170460417 /nfs/dbraw/zinc/46/04/17/170460417.db2.gz OQWJWJIQZONZIB-UHFFFAOYSA-N 1 3 278.396 2.061 10 0 CEAEHO [NH3+]C[C@H](c1ccccc1Cl)N1CCN(CC2CC2)CC1 ZINC000020179622 171044022 /nfs/dbraw/zinc/04/40/22/171044022.db2.gz ISTSJGAFVOECPU-MRXNPFEDSA-N 1 3 293.842 2.367 10 0 CEAEHO CCCCCC[C@H](C[NH3+])N1CCN(CCC)CC1 ZINC000020520614 171234039 /nfs/dbraw/zinc/23/40/39/171234039.db2.gz INHITHLQUYIWGD-OAHLLOKOSA-N 1 3 255.450 2.312 10 0 CEAEHO CCCN1CCN([C@H](C)[C@@H]([NH3+])c2ccc(OC)cc2)CC1 ZINC000023069822 171410189 /nfs/dbraw/zinc/41/01/89/171410189.db2.gz CYPMWNOHZXIJIK-RHSMWYFYSA-N 1 3 291.439 2.111 10 0 CEAEHO CN1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000037484572 173228704 /nfs/dbraw/zinc/22/87/04/173228704.db2.gz GDJRVYWHYKQUGO-LBPRGKRZSA-N 1 3 283.213 2.490 10 0 CEAEHO CNCc1nc2ccc(Cl)cc2n1CCC[NH+](C)C ZINC000040404366 174253832 /nfs/dbraw/zinc/25/38/32/174253832.db2.gz BSYPBILUNXOYIP-UHFFFAOYSA-N 1 3 280.803 2.361 10 0 CEAEHO CC[C@@H]([NH3+])[C@@H](c1cccnc1)N1CCN(C(C)(C)C)CC1 ZINC000043347513 175017733 /nfs/dbraw/zinc/01/77/33/175017733.db2.gz CGTXGVFQUKOJMJ-HZPDHXFCSA-N 1 3 290.455 2.276 10 0 CEAEHO CC[C@@H]([C@H]([NH2+]C)c1ccccc1)N1CCCN(C)CC1 ZINC000043818235 175113028 /nfs/dbraw/zinc/11/30/28/175113028.db2.gz CRUHXEXWLMSRTL-DLBZAZTESA-N 1 3 275.440 2.363 10 0 CEAEHO C[C@@](CCCC[NH+]1CCCCCCC1)(NC1CC1)C(N)=O ZINC000045371481 175364244 /nfs/dbraw/zinc/36/42/44/175364244.db2.gz JKTKKNDILZWUOX-KRWDZBQOSA-N 1 3 295.471 2.419 10 0 CEAEHO CC[C@@H]1CCC[C@@](C[NH3+])(N(CCCOC)CCOC)C1 ZINC000071124061 176035373 /nfs/dbraw/zinc/03/53/73/176035373.db2.gz TUXQLLNNEBOSBD-HZPDHXFCSA-N 1 3 286.460 2.269 10 0 CEAEHO CC[C@H]1CCC[C@@](CN)([N@@H+]2CC[C@H](N3CCCC3)C2)C1 ZINC000071124823 176035414 /nfs/dbraw/zinc/03/54/14/176035414.db2.gz NNTOKWSDWXDTNB-YESZJQIVSA-N 1 3 279.472 2.454 10 0 CEAEHO CC[C@H]1CCC[C@@](CN)([N@H+]2CC[C@H](N3CCCC3)C2)C1 ZINC000071124823 176035415 /nfs/dbraw/zinc/03/54/15/176035415.db2.gz NNTOKWSDWXDTNB-YESZJQIVSA-N 1 3 279.472 2.454 10 0 CEAEHO C[NH2+]C[C@@H]1CCN(CC(C)(C)C(=O)Nc2ccccc2)C1 ZINC000071146122 176042481 /nfs/dbraw/zinc/04/24/81/176042481.db2.gz ZEHQLJFEPDIIOC-AWEZNQCLSA-N 1 3 289.423 2.193 10 0 CEAEHO CNC[C@@H]1CC[N@H+](CC(C)(C)C(=O)Nc2ccccc2)C1 ZINC000071146122 176042482 /nfs/dbraw/zinc/04/24/82/176042482.db2.gz ZEHQLJFEPDIIOC-AWEZNQCLSA-N 1 3 289.423 2.193 10 0 CEAEHO CNC[C@@H]1CC[N@@H+](CC(C)(C)C(=O)Nc2ccccc2)C1 ZINC000071146122 176042484 /nfs/dbraw/zinc/04/24/84/176042484.db2.gz ZEHQLJFEPDIIOC-AWEZNQCLSA-N 1 3 289.423 2.193 10 0 CEAEHO CC[C@H]1CCCC[C@@]1(C[NH3+])N1CCN(CC2CC2)CC1 ZINC000071161861 176046606 /nfs/dbraw/zinc/04/66/06/176046606.db2.gz NLSJIXQXJNXJEJ-IRXDYDNUSA-N 1 3 279.472 2.312 10 0 CEAEHO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1CN ZINC000071187553 176060707 /nfs/dbraw/zinc/06/07/07/176060707.db2.gz ZHORSNIRNMAIKV-LLVKDONJSA-N 1 3 267.804 2.187 10 0 CEAEHO CN(C[C@@H]1CC[N@@H+](C)C1)c1ccc(Cl)cc1CN ZINC000071187553 176060708 /nfs/dbraw/zinc/06/07/08/176060708.db2.gz ZHORSNIRNMAIKV-LLVKDONJSA-N 1 3 267.804 2.187 10 0 CEAEHO Cc1cc([C@H](CN)N(C)C[C@@H]2CC[N@H+](C)C2)c(C)s1 ZINC000071188327 176063153 /nfs/dbraw/zinc/06/31/53/176063153.db2.gz MATVTRDVYFBDEZ-HIFRSBDPSA-N 1 3 281.469 2.248 10 0 CEAEHO Cc1cc([C@H](CN)N(C)C[C@@H]2CC[N@@H+](C)C2)c(C)s1 ZINC000071188327 176063155 /nfs/dbraw/zinc/06/31/55/176063155.db2.gz MATVTRDVYFBDEZ-HIFRSBDPSA-N 1 3 281.469 2.248 10 0 CEAEHO CN[C@@H](C)c1cc(F)ccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189400 176064192 /nfs/dbraw/zinc/06/41/92/176064192.db2.gz OIFQXMGZJFLCGW-QWHCGFSZSA-N 1 3 279.403 2.494 10 0 CEAEHO CN[C@@H](C)c1cc(F)ccc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189400 176064193 /nfs/dbraw/zinc/06/41/93/176064193.db2.gz OIFQXMGZJFLCGW-QWHCGFSZSA-N 1 3 279.403 2.494 10 0 CEAEHO CCOC(=O)CCCCC[N@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000071297769 176112775 /nfs/dbraw/zinc/11/27/75/176112775.db2.gz NOHLBYBPSQFFEE-AGUYFDCRSA-N 1 3 268.401 2.064 10 0 CEAEHO CCOC(=O)CCCCC[N@@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000071297769 176112777 /nfs/dbraw/zinc/11/27/77/176112777.db2.gz NOHLBYBPSQFFEE-AGUYFDCRSA-N 1 3 268.401 2.064 10 0 CEAEHO CC(C)[C@H](CN(C)Cc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000398004123 270355663 /nfs/dbraw/zinc/35/56/63/270355663.db2.gz PMLAXQPBBDPLNT-IRXDYDNUSA-N 1 3 275.440 2.095 10 0 CEAEHO CCC[C@@H](C(=O)NCC[C@H](C)[NH+]1CCCCC1)N(C)C ZINC000183102449 321709455 /nfs/dbraw/zinc/70/94/55/321709455.db2.gz UZZHSQKJUHLMTC-GJZGRUSLSA-N 1 3 283.460 2.097 10 0 CEAEHO CCC[NH2+]CC1(CN(C)[C@@H]2CCSC2)CCOCC1 ZINC000052181486 519909218 /nfs/dbraw/zinc/90/92/18/519909218.db2.gz CBQMUVYIPVBJNQ-CQSZACIVSA-N 1 3 286.485 2.220 10 0 CEAEHO CCC[NH2+]C[C@H](C)CN1CCN([C@H](C)CC)CC1 ZINC000055074707 519932341 /nfs/dbraw/zinc/93/23/41/519932341.db2.gz KYFYZGTWASWYBQ-LSDHHAIUSA-N 1 3 255.450 2.038 10 0 CEAEHO CCO[C@@H](C[NH3+])CCN(Cc1ccsc1)C1CC1 ZINC000062741039 520306653 /nfs/dbraw/zinc/30/66/53/520306653.db2.gz UKNXWVWMMCLSLT-CQSZACIVSA-N 1 3 268.426 2.466 10 0 CEAEHO C[NH2+]Cc1sc(N2CCCN(C)CC2)nc1C(C)(C)C ZINC000054968955 522166827 /nfs/dbraw/zinc/16/68/27/522166827.db2.gz ZALNSOONFQXNNJ-UHFFFAOYSA-N 1 3 296.484 2.302 10 0 CEAEHO CC[C@@H](C[NH2+]C)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000061702402 522545552 /nfs/dbraw/zinc/54/55/52/522545552.db2.gz FLTNIKMIJKXCOU-JKSUJKDBSA-N 1 3 262.397 2.276 10 0 CEAEHO C(CCN1CCO[C@H]2CCCC[C@H]21)C[NH2+]C1CC1 ZINC000052573027 518383071 /nfs/dbraw/zinc/38/30/71/518383071.db2.gz GPKCXGAOXUPHDZ-CABCVRRESA-N 1 3 252.402 2.162 10 0 CEAEHO CC(C)C[C@@H]1CSC(N[C@@H]2CC[N@@H+]3CCC[C@H]23)=N1 ZINC000049569650 519276907 /nfs/dbraw/zinc/27/69/07/519276907.db2.gz VNEBCDSTYRMKMR-JHJVBQTASA-N 1 3 267.442 2.330 10 0 CEAEHO CC(C)C[C@@H]1CSC(N[C@@H]2CC[N@H+]3CCC[C@H]23)=N1 ZINC000049569650 519276911 /nfs/dbraw/zinc/27/69/11/519276911.db2.gz VNEBCDSTYRMKMR-JHJVBQTASA-N 1 3 267.442 2.330 10 0 CEAEHO CC(C)CCOCCN1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602816 519665851 /nfs/dbraw/zinc/66/58/51/519665851.db2.gz HVEVIPKEUIMGPK-GOOCMWNKSA-N 1 3 254.418 2.393 10 0 CEAEHO CC(C)[NH2+]CC1(CN2CCCC[C@@H]2CCO)CCOCC1 ZINC000052181056 519719643 /nfs/dbraw/zinc/71/96/43/519719643.db2.gz MJZIIKVOFVBLTP-MRXNPFEDSA-N 1 3 298.471 2.018 10 0 CEAEHO CC(C)[NH2+]CCCCCN1CCN(CC2CC2)CC1 ZINC000052372503 519720524 /nfs/dbraw/zinc/72/05/24/519720524.db2.gz APNIJJQNLWBZIM-UHFFFAOYSA-N 1 3 267.461 2.182 10 0 CEAEHO CC(C)[NH2+]C[C@@H](C(C)C)N1CCN(C(C)C)CC1 ZINC000052479957 519722847 /nfs/dbraw/zinc/72/28/47/519722847.db2.gz LLAGUPBTKWGAEC-HNNXBMFYSA-N 1 3 255.450 2.035 10 0 CEAEHO CC(C)CN1CCN([C@@H]2CCc3ccccc3[C@H]2[NH3+])CC1 ZINC000055078900 519727852 /nfs/dbraw/zinc/72/78/52/519727852.db2.gz AHDIIXOERVOXAN-QZTJIDSGSA-N 1 3 287.451 2.275 10 0 CEAEHO CC(C)C[NH2+]C[C@@H](C)CN1CCN(C(C)(C)C)CC1 ZINC000052571608 519744603 /nfs/dbraw/zinc/74/46/03/519744603.db2.gz YMODHTOGFSNRAJ-OAHLLOKOSA-N 1 3 269.477 2.284 10 0 CEAEHO CCCN1CCN([C@H](CC[NH3+])c2ccccc2)CC1 ZINC000055015119 519859676 /nfs/dbraw/zinc/85/96/76/519859676.db2.gz QOZXCLRSXLFIIL-MRXNPFEDSA-N 1 3 261.413 2.104 10 0 CEAEHO CC[NH2+]CC1(CN(CCOC)[C@H](C)CC)CCOCC1 ZINC000052183546 519913185 /nfs/dbraw/zinc/91/31/85/519913185.db2.gz LLWJYSFFFUBHKI-OAHLLOKOSA-N 1 3 286.460 2.140 10 0 CEAEHO CCC[NH2+]CC[C@H](C)N1CCN([C@@H](C)CC)CC1 ZINC000055074849 519919339 /nfs/dbraw/zinc/91/93/39/519919339.db2.gz TZRZAYRFJRNWDQ-GJZGRUSLSA-N 1 3 255.450 2.181 10 0 CEAEHO CCC[NH2+]C[C@H](CC)N1CCN([C@@H](C)CC)CC1 ZINC000055074595 519932134 /nfs/dbraw/zinc/93/21/34/519932134.db2.gz BMVLWHBCWUFUKJ-GJZGRUSLSA-N 1 3 255.450 2.181 10 0 CEAEHO CCC[NH2+]C[C@]1(CN2CCCCCC2)CCOC1 ZINC000051210421 519940356 /nfs/dbraw/zinc/94/03/56/519940356.db2.gz CMLYRCMNOWKZHT-HNNXBMFYSA-N 1 3 254.418 2.269 10 0 CEAEHO CCC[NH2+]Cc1ccccc1CN1CCN(CC)CC1 ZINC000052422536 519957102 /nfs/dbraw/zinc/95/71/02/519957102.db2.gz VEDDSLQLOCQVET-UHFFFAOYSA-N 1 3 275.440 2.324 10 0 CEAEHO CCC[NH2+]Cc1ccccc1OCCOCCN(C)C ZINC000052669654 519957403 /nfs/dbraw/zinc/95/74/03/519957403.db2.gz BAMAUDHLBFBNEY-UHFFFAOYSA-N 1 3 280.412 2.143 10 0 CEAEHO CC[NH2+]C[C@](C)(CC)CN1CCC[C@@H]1CCCO ZINC000052763321 519981889 /nfs/dbraw/zinc/98/18/89/519981889.db2.gz ABJHDLYQZQZYGM-CABCVRRESA-N 1 3 256.434 2.249 10 0 CEAEHO CCNC[C@](C)(CC)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052763321 519981895 /nfs/dbraw/zinc/98/18/95/519981895.db2.gz ABJHDLYQZQZYGM-CABCVRRESA-N 1 3 256.434 2.249 10 0 CEAEHO CCNC[C@](C)(CC)C[N@H+]1CCC[C@@H]1CCCO ZINC000052763321 519981897 /nfs/dbraw/zinc/98/18/97/519981897.db2.gz ABJHDLYQZQZYGM-CABCVRRESA-N 1 3 256.434 2.249 10 0 CEAEHO CCC[NH2+][C@@H](CCC)CN1CCC[C@@H]1CN(C)C ZINC000061643316 519992218 /nfs/dbraw/zinc/99/22/18/519992218.db2.gz UEKREOHVLVVUDE-LSDHHAIUSA-N 1 3 255.450 2.181 10 0 CEAEHO CCC[NH2+][C@@H](CC)CN1CCN([C@H](C)CC)CC1 ZINC000055065062 519994062 /nfs/dbraw/zinc/99/40/62/519994062.db2.gz ATKIASZSESJOOI-CABCVRRESA-N 1 3 255.450 2.181 10 0 CEAEHO CCC[NH2+][C@H](CC)[C@H](C)N1CCC[C@@H]1CN(C)C ZINC000061643753 520069082 /nfs/dbraw/zinc/06/90/82/520069082.db2.gz GIMMUVWKKFRQKZ-RRFJBIMHSA-N 1 3 255.450 2.179 10 0 CEAEHO CCC[NH2+][C@H](CN1CCN(CC(C)C)CC1)C1CC1 ZINC000069075046 520082540 /nfs/dbraw/zinc/08/25/40/520082540.db2.gz HMUYKDAMXMXZNQ-MRXNPFEDSA-N 1 3 267.461 2.038 10 0 CEAEHO CCN[C@@](C)(CCCC[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000069516480 520131440 /nfs/dbraw/zinc/13/14/40/520131440.db2.gz QBSFDDKUXGAPGP-INIZCTEOSA-N 1 3 283.460 2.132 10 0 CEAEHO CCN[C@@](C)(CCCC[N@H+]1CCCC(C)(C)C1)C(N)=O ZINC000069516480 520131455 /nfs/dbraw/zinc/13/14/55/520131455.db2.gz QBSFDDKUXGAPGP-INIZCTEOSA-N 1 3 283.460 2.132 10 0 CEAEHO CCN(CC)CCc1nc(C)c([C@H](C)C[NH2+]C)c(C)n1 ZINC000054854647 520711792 /nfs/dbraw/zinc/71/17/92/520711792.db2.gz NFYWBPVOBOIZKE-GFCCVEGCSA-N 1 3 278.444 2.301 10 0 CEAEHO CCN(CC)CCc1noc(CC[C@H]2CCCC[NH2+]2)n1 ZINC000050927951 520714271 /nfs/dbraw/zinc/71/42/71/520714271.db2.gz RWVHWXNJGSXNCC-CYBMUJFWSA-N 1 3 280.416 2.029 10 0 CEAEHO CCC[C@@H]([NH3+])[C@H](CC)N1CCN(CC(C)C)CC1 ZINC000055078933 520727345 /nfs/dbraw/zinc/72/73/45/520727345.db2.gz OVQQOYJURGUSDO-CABCVRRESA-N 1 3 255.450 2.166 10 0 CEAEHO CCC[C@@](C)(C[NH2+]C)CN1CCN([C@@H](C)CC)CC1 ZINC000055071670 520909191 /nfs/dbraw/zinc/90/91/91/520909191.db2.gz ZOXSYGJNKHPVGL-HOTGVXAUSA-N 1 3 269.477 2.428 10 0 CEAEHO CC1CCC([NH2+]CCN2CCC[C@H]2CN(C)C)CC1 ZINC000061655227 520953543 /nfs/dbraw/zinc/95/35/43/520953543.db2.gz IRHCUITUIRETBE-GPANFISMSA-N 1 3 267.461 2.181 10 0 CEAEHO CCC[C@H]([NH3+])[C@@H](CC)N1CCN([C@@H](C)CC)CC1 ZINC000055065335 521120703 /nfs/dbraw/zinc/12/07/03/521120703.db2.gz OSEFYCUHZMBADV-SOUVJXGZSA-N 1 3 255.450 2.309 10 0 CEAEHO CCOc1ccc([C@H](N)CN2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061643560 521263607 /nfs/dbraw/zinc/26/36/07/521263607.db2.gz AWICBMNVRJXHDD-NVXWUHKLSA-N 1 3 291.439 2.111 10 0 CEAEHO CCC[C@]1(C(=O)Nc2ccccc2CN(C)C)CC[NH2+]C1 ZINC000062891458 521300445 /nfs/dbraw/zinc/30/04/45/521300445.db2.gz SMUGDGKFBAGLMZ-KRWDZBQOSA-N 1 3 289.423 2.467 10 0 CEAEHO CCC(CC)[C@H](CNC(=O)[C@@H]1CCCCN1)[NH+]1CCCC1 ZINC000164389979 521617293 /nfs/dbraw/zinc/61/72/93/521617293.db2.gz CLHNRBBBABVWHJ-HOTGVXAUSA-N 1 3 295.471 2.145 10 0 CEAEHO CCOC1CCN(Cc2cccc(C[NH2+]C)c2)CC1 ZINC000052483976 521657268 /nfs/dbraw/zinc/65/72/68/521657268.db2.gz MBWPVFBLQJDCCP-UHFFFAOYSA-N 1 3 262.397 2.407 10 0 CEAEHO CCCN(CCN(C)C)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055023407 521657775 /nfs/dbraw/zinc/65/77/75/521657775.db2.gz YODAVTDGINLHCZ-HNNXBMFYSA-N 1 3 276.428 2.327 10 0 CEAEHO C[NH+](C)C[C@@H]1CCCN1c1c(CN)cnc2ccccc21 ZINC000061641590 521844124 /nfs/dbraw/zinc/84/41/24/521844124.db2.gz VXNDQAMGJCDIQO-AWEZNQCLSA-N 1 3 284.407 2.224 10 0 CEAEHO CNC(C)(C)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000061300835 521942770 /nfs/dbraw/zinc/94/27/70/521942770.db2.gz JBJBGTSYJANAEK-UHFFFAOYSA-N 1 3 275.396 2.219 10 0 CEAEHO C[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2ccc(F)cc2)O1 ZINC000052346221 522093611 /nfs/dbraw/zinc/09/36/11/522093611.db2.gz YILZUWGIVYZMAW-CABCVRRESA-N 1 3 266.360 2.025 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@@H]([NH2+]C)c2ccccc2)CC1 ZINC000055065329 522120387 /nfs/dbraw/zinc/12/03/87/522120387.db2.gz FKSPYTBBGXVPAS-NVXWUHKLSA-N 1 3 275.440 2.363 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000055064210 522120623 /nfs/dbraw/zinc/12/06/23/522120623.db2.gz ZAZYEUXTXAIAIS-NVXWUHKLSA-N 1 3 275.440 2.145 10 0 CEAEHO CC[C@@H](C)N1CCN(c2cc(C)ccc2C[NH3+])CC1 ZINC000055063349 522133998 /nfs/dbraw/zinc/13/39/98/522133998.db2.gz LOIJIVDQKPAZKJ-CQSZACIVSA-N 1 3 261.413 2.374 10 0 CEAEHO CNCc1ccccc1OCC[N@H+](C)[C@H]1CCSC1 ZINC000052453326 522139268 /nfs/dbraw/zinc/13/92/68/522139268.db2.gz IQSVBLMHXFWIBC-AWEZNQCLSA-N 1 3 280.437 2.222 10 0 CEAEHO CNCc1ccccc1OCC[N@@H+](C)[C@H]1CCSC1 ZINC000052453326 522139276 /nfs/dbraw/zinc/13/92/76/522139276.db2.gz IQSVBLMHXFWIBC-AWEZNQCLSA-N 1 3 280.437 2.222 10 0 CEAEHO C[NH2+]Cc1ccccc1OCCN1CCCSCC1 ZINC000052371070 522140073 /nfs/dbraw/zinc/14/00/73/522140073.db2.gz KOYIGMDSYDOTDJ-UHFFFAOYSA-N 1 3 280.437 2.224 10 0 CEAEHO CC[C@H](C[NH2+]CC(C)C)N1CCC[C@@H]1CN(C)C ZINC000061654709 522195017 /nfs/dbraw/zinc/19/50/17/522195017.db2.gz AXQMZYHJXFATJS-HUUCEWRRSA-N 1 3 255.450 2.037 10 0 CEAEHO C[NH2+][C@@H](CN(C)[C@@H]1CCCN(C)C1)c1ccccc1C ZINC000053245028 522354160 /nfs/dbraw/zinc/35/41/60/522354160.db2.gz JLEYASQPVMCDFV-WBVHZDCISA-N 1 3 275.440 2.282 10 0 CEAEHO CC[C@@H](CNC1CC1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545297 522545383 /nfs/dbraw/zinc/54/53/83/522545383.db2.gz RPBDXMLWMQVHRI-WFASDCNBSA-N 1 3 254.418 2.264 10 0 CEAEHO CC[C@@H](CNC1CC1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545297 522545389 /nfs/dbraw/zinc/54/53/89/522545389.db2.gz RPBDXMLWMQVHRI-WFASDCNBSA-N 1 3 254.418 2.264 10 0 CEAEHO COc1cc2c(cc1OC)CN([C@@H](C)CCC[NH3+])CC2 ZINC000052417242 523032232 /nfs/dbraw/zinc/03/22/32/523032232.db2.gz YVCRRKWNYVJYAA-LBPRGKRZSA-N 1 3 278.396 2.189 10 0 CEAEHO CN(c1cc(Cl)ccc1C(N)=[NH2+])[C@H]1CCCN(C)C1 ZINC000062788994 523631332 /nfs/dbraw/zinc/63/13/32/523631332.db2.gz NVBMNZYMRIDRCI-NSHDSACASA-N 1 3 280.803 2.154 10 0 CEAEHO COCCN(CC(C)C)C[C@@H](C)C[NH2+]CC(C)C ZINC000052508471 523678738 /nfs/dbraw/zinc/67/87/38/523678738.db2.gz YJSGLIVAKOIYOR-HNNXBMFYSA-N 1 3 258.450 2.473 10 0 CEAEHO COCCN(CCC[NH2+]CC(C)C)[C@H](C)C1CC1 ZINC000052545324 523693421 /nfs/dbraw/zinc/69/34/21/523693421.db2.gz ZBJGGDGMOAAGED-CQSZACIVSA-N 1 3 256.434 2.369 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@H]([NH3+])c2ccccc2)CC1 ZINC000055065558 523955050 /nfs/dbraw/zinc/95/50/50/523955050.db2.gz QHUHPTNRKAFRKS-HOCLYGCPSA-N 1 3 261.413 2.103 10 0 CEAEHO CC[C@H](C)N1CCN(Cc2ccc(C[NH2+]C)cc2)CC1 ZINC000055074137 523956499 /nfs/dbraw/zinc/95/64/99/523956499.db2.gz BWLZHRDAUPBJHO-HNNXBMFYSA-N 1 3 275.440 2.322 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C[NH3+])c2ccccc2F)CC1 ZINC000055064014 523959194 /nfs/dbraw/zinc/95/91/94/523959194.db2.gz AQFOOQQNLVBSOC-XJKSGUPXSA-N 1 3 279.403 2.242 10 0 CEAEHO C[NH+](C)CC1CCN(C[C@](C)(CO)c2ccccc2)CC1 ZINC000051294375 524049626 /nfs/dbraw/zinc/04/96/26/524049626.db2.gz VIEGGWBJUXVTSP-GOSISDBHSA-N 1 3 290.451 2.210 10 0 CEAEHO C[C@H](CCN(C)C)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000049553775 524168796 /nfs/dbraw/zinc/16/87/96/524168796.db2.gz GDOIKWXPDWJFMG-NVXWUHKLSA-N 1 3 275.440 2.191 10 0 CEAEHO C[C@H](CC[NH+](C)C)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000049553775 524168804 /nfs/dbraw/zinc/16/88/04/524168804.db2.gz GDOIKWXPDWJFMG-NVXWUHKLSA-N 1 3 275.440 2.191 10 0 CEAEHO C[C@@H]1CN(CCC[C@@H]2CCCC[NH2+]2)CC(C)(C)O1 ZINC000050954124 524953604 /nfs/dbraw/zinc/95/36/04/524953604.db2.gz WEOWSVAHMZCDOF-KGLIPLIRSA-N 1 3 254.418 2.408 10 0 CEAEHO NC(=[NH2+])c1ccccc1CN1CCN(C2CCCC2)CC1 ZINC000052062005 526823913 /nfs/dbraw/zinc/82/39/13/526823913.db2.gz KSLFQZXTDNBVFA-UHFFFAOYSA-N 1 3 286.423 2.031 10 0 CEAEHO CC[NH2+][C@](C)(CO)CCN(CCC(C)C)C1CC1 ZINC000096837000 185116509 /nfs/dbraw/zinc/11/65/09/185116509.db2.gz UOJOCICROYUVCO-HNNXBMFYSA-N 1 3 256.434 2.248 10 0 CEAEHO CCN[C@](C)(CO)CC[N@H+](CCC(C)C)C1CC1 ZINC000096837000 185116512 /nfs/dbraw/zinc/11/65/12/185116512.db2.gz UOJOCICROYUVCO-HNNXBMFYSA-N 1 3 256.434 2.248 10 0 CEAEHO CCN[C@](C)(CO)CC[N@@H+](CCC(C)C)C1CC1 ZINC000096837000 185116514 /nfs/dbraw/zinc/11/65/14/185116514.db2.gz UOJOCICROYUVCO-HNNXBMFYSA-N 1 3 256.434 2.248 10 0 CEAEHO Cc1csc(CCNC[C@H]2CCCC[C@@H]2[NH3+])n1 ZINC000085376866 179044698 /nfs/dbraw/zinc/04/46/98/179044698.db2.gz CYBLPMBIYUNXIH-NEPJUHHUSA-N 1 3 253.415 2.101 10 0 CEAEHO CCC[C@@H]1CN[C@@H](CC)C[N@@H+]1CCn1ccnc1C ZINC000085472662 179077313 /nfs/dbraw/zinc/07/73/13/179077313.db2.gz ZZKZQVDRYQARBI-LSDHHAIUSA-N 1 3 264.417 2.044 10 0 CEAEHO CCC[C@@H]1CN[C@@H](CC)C[N@H+]1CCn1ccnc1C ZINC000085472662 179077315 /nfs/dbraw/zinc/07/73/15/179077315.db2.gz ZZKZQVDRYQARBI-LSDHHAIUSA-N 1 3 264.417 2.044 10 0 CEAEHO Cc1nccn1CC[N@@H+]1C[C@H](C2CC2)NCC12CCCC2 ZINC000085529077 179090359 /nfs/dbraw/zinc/09/03/59/179090359.db2.gz GLIGBVLAABZJEI-MRXNPFEDSA-N 1 3 288.439 2.188 10 0 CEAEHO Cc1nccn1CC[N@H+]1C[C@H](C2CC2)NCC12CCCC2 ZINC000085529077 179090362 /nfs/dbraw/zinc/09/03/62/179090362.db2.gz GLIGBVLAABZJEI-MRXNPFEDSA-N 1 3 288.439 2.188 10 0 CEAEHO C[C@@H]1CC[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CCCCO1 ZINC000085623744 179107428 /nfs/dbraw/zinc/10/74/28/179107428.db2.gz ULGMVSAUZLESPU-VNQPRFMTSA-N 1 3 266.429 2.408 10 0 CEAEHO C[C@@H]1CCN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085623744 179107429 /nfs/dbraw/zinc/10/74/29/179107429.db2.gz ULGMVSAUZLESPU-VNQPRFMTSA-N 1 3 266.429 2.408 10 0 CEAEHO C[C@@H]1CCN[C@@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCCO1 ZINC000085623744 179107431 /nfs/dbraw/zinc/10/74/31/179107431.db2.gz ULGMVSAUZLESPU-VNQPRFMTSA-N 1 3 266.429 2.408 10 0 CEAEHO CO[C@H]1CCC[C@H](N2CCC[NH2+][C@H](C3CC3)C2)C1 ZINC000085616379 179104799 /nfs/dbraw/zinc/10/47/99/179104799.db2.gz HPELTXITXHJFGJ-KKUMJFAQSA-N 1 3 252.402 2.018 10 0 CEAEHO CC(C)[N@@H+]1CC[C@H](CN2CCN[C@H](c3ccccc3)C2)C1 ZINC000086146564 179238381 /nfs/dbraw/zinc/23/83/81/179238381.db2.gz YWEIMYMTVOOWJV-AEFFLSMTSA-N 1 3 287.451 2.363 10 0 CEAEHO CC(C)[N@H+]1CC[C@H](CN2CCN[C@H](c3ccccc3)C2)C1 ZINC000086146564 179238382 /nfs/dbraw/zinc/23/83/82/179238382.db2.gz YWEIMYMTVOOWJV-AEFFLSMTSA-N 1 3 287.451 2.363 10 0 CEAEHO CN1CCCC[C@H]1CN1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000086145830 179239271 /nfs/dbraw/zinc/23/92/71/179239271.db2.gz LPQWWWAEMUEAFE-IRXDYDNUSA-N 1 3 279.472 2.325 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(CC)C[N@@H+]1C[C@@H]1CCN(CC)C1 ZINC000086223032 179250351 /nfs/dbraw/zinc/25/03/51/179250351.db2.gz OBNNTZZJWGASKE-OAGGEKHMSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(CC)C[N@H+]1C[C@@H]1CCN(CC)C1 ZINC000086223032 179250354 /nfs/dbraw/zinc/25/03/54/179250354.db2.gz OBNNTZZJWGASKE-OAGGEKHMSA-N 1 3 267.461 2.181 10 0 CEAEHO CC(C)[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223182 179251863 /nfs/dbraw/zinc/25/18/63/179251863.db2.gz VZGGZBNVCIBAJF-PMPSAXMXSA-N 1 3 281.488 2.283 10 0 CEAEHO CC(C)[C@@H]1CN[C@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223182 179251865 /nfs/dbraw/zinc/25/18/65/179251865.db2.gz VZGGZBNVCIBAJF-PMPSAXMXSA-N 1 3 281.488 2.283 10 0 CEAEHO CC[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1[C@@H]1CCCN(C)C1 ZINC000086223938 179253350 /nfs/dbraw/zinc/25/33/50/179253350.db2.gz FIARODJHDJJYLD-KFWWJZLASA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1CN[C@H](C(C)(C)C)C[N@H+]1[C@@H]1CCCN(C)C1 ZINC000086223938 179253353 /nfs/dbraw/zinc/25/33/53/179253353.db2.gz FIARODJHDJJYLD-KFWWJZLASA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1[C@@H]1CCCN(C)C1 ZINC000086224012 179253537 /nfs/dbraw/zinc/25/35/37/179253537.db2.gz GCKFSOSLVDFSLD-ARFHVFGLSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1CN[C@@H](CC(C)C)C[N@@H+]1[C@@H]1CCCN(C)C1 ZINC000086224012 179253539 /nfs/dbraw/zinc/25/35/39/179253539.db2.gz GCKFSOSLVDFSLD-ARFHVFGLSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1CN[C@@H](CC(C)C)C[N@H+]1[C@@H]1CCCN(C)C1 ZINC000086224012 179253541 /nfs/dbraw/zinc/25/35/41/179253541.db2.gz GCKFSOSLVDFSLD-ARFHVFGLSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@]1(C)C[N@H+]([C@@H](C)CCN(C)C)[C@H](C(C)C)CN1 ZINC000086227536 179254155 /nfs/dbraw/zinc/25/41/55/179254155.db2.gz YIFTVOUAXUVPNN-HRCADAONSA-N 1 3 269.477 2.425 10 0 CEAEHO CC[C@]1(C)C[N@@H+]([C@@H](C)CCN(C)C)[C@H](C(C)C)CN1 ZINC000086227536 179254156 /nfs/dbraw/zinc/25/41/56/179254156.db2.gz YIFTVOUAXUVPNN-HRCADAONSA-N 1 3 269.477 2.425 10 0 CEAEHO CC[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1[C@@H](C)CCN(C)C ZINC000086227531 179254608 /nfs/dbraw/zinc/25/46/08/179254608.db2.gz FNQOMLCQGUKKOC-BPUTZDHNSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1CN[C@](C)(C2CC2)C[N@H+]1[C@@H](C)CCN(C)C ZINC000086227531 179254610 /nfs/dbraw/zinc/25/46/10/179254610.db2.gz FNQOMLCQGUKKOC-BPUTZDHNSA-N 1 3 267.461 2.179 10 0 CEAEHO C[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259262 179258002 /nfs/dbraw/zinc/25/80/02/179258002.db2.gz NMODZGHGFFQCMW-ZNMIVQPWSA-N 1 3 267.461 2.037 10 0 CEAEHO C[C@H]1CN[C@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259262 179258004 /nfs/dbraw/zinc/25/80/04/179258004.db2.gz NMODZGHGFFQCMW-ZNMIVQPWSA-N 1 3 267.461 2.037 10 0 CEAEHO C[C@H]1C[NH2+][C@H](C2CCCCC2)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259620 179258142 /nfs/dbraw/zinc/25/81/42/179258142.db2.gz SXJTXNUDRFZLEH-QGTPRVQTSA-N 1 3 291.483 2.466 10 0 CEAEHO CC1CCC([N@H+](C)[C@]2(CN)CCCN(C)CC2)CC1 ZINC000086819398 179347865 /nfs/dbraw/zinc/34/78/65/179347865.db2.gz LQCCECUAWLADGB-UYSNPLJNSA-N 1 3 267.461 2.310 10 0 CEAEHO CC1CCC([N@@H+](C)[C@]2(CN)CCCN(C)CC2)CC1 ZINC000086819398 179347866 /nfs/dbraw/zinc/34/78/66/179347866.db2.gz LQCCECUAWLADGB-UYSNPLJNSA-N 1 3 267.461 2.310 10 0 CEAEHO CN1CCC[C@@](CN)([NH+]2CCCCCCC2)CC1 ZINC000086819256 179348356 /nfs/dbraw/zinc/34/83/56/179348356.db2.gz NTUVGWBWQBWXIH-OAHLLOKOSA-N 1 3 253.434 2.066 10 0 CEAEHO CC(C)[C@@H](C[NH2+][C@@H]1CCCN(C)CC1)N1CCCC1 ZINC000086817425 179345102 /nfs/dbraw/zinc/34/51/02/179345102.db2.gz ZFFULUFZEJUXAG-HZPDHXFCSA-N 1 3 267.461 2.181 10 0 CEAEHO CCN(CC)C(=O)CCN[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086841071 179354007 /nfs/dbraw/zinc/35/40/07/179354007.db2.gz LMSMEVULXINYMT-HNNXBMFYSA-N 1 3 283.460 2.097 10 0 CEAEHO CCN(CC)C(=O)CCN[C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086841071 179354008 /nfs/dbraw/zinc/35/40/08/179354008.db2.gz LMSMEVULXINYMT-HNNXBMFYSA-N 1 3 283.460 2.097 10 0 CEAEHO CCN(CC)C(=O)CC[NH2+][C@H]1CCCN(C(C)C)CC1 ZINC000086841071 179354012 /nfs/dbraw/zinc/35/40/12/179354012.db2.gz LMSMEVULXINYMT-HNNXBMFYSA-N 1 3 283.460 2.097 10 0 CEAEHO CCN1CCC[C@](CO)([NH2+]Cc2cccs2)CC1 ZINC000086868248 179360686 /nfs/dbraw/zinc/36/06/86/179360686.db2.gz FUQFYMMMUQNLKZ-AWEZNQCLSA-N 1 3 268.426 2.075 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000090566056 180005654 /nfs/dbraw/zinc/00/56/54/180005654.db2.gz WEQWSSBVHFYNRC-LJISPDSOSA-N 1 3 254.418 2.264 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000090566056 180005655 /nfs/dbraw/zinc/00/56/55/180005655.db2.gz WEQWSSBVHFYNRC-LJISPDSOSA-N 1 3 254.418 2.264 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[NH2+]Cc1ccc(C)s1 ZINC000090566742 180006742 /nfs/dbraw/zinc/00/67/42/180006742.db2.gz PETLMKQMJORPTI-GXTWGEPZSA-N 1 3 268.426 2.161 10 0 CEAEHO C[N@H+](Cc1ccc(Cl)cc1)C[C@]1(C)COC[C@@H]1N ZINC000090606679 180010997 /nfs/dbraw/zinc/01/09/97/180010997.db2.gz SYWWHXRSOCMWHB-UONOGXRCSA-N 1 3 268.788 2.136 10 0 CEAEHO C[N@@H+](Cc1ccc(Cl)cc1)C[C@]1(C)COC[C@@H]1N ZINC000090606679 180010999 /nfs/dbraw/zinc/01/09/99/180010999.db2.gz SYWWHXRSOCMWHB-UONOGXRCSA-N 1 3 268.788 2.136 10 0 CEAEHO C[C@@H](CNC[C@@H]1Cc2ccccc2O1)C[NH+]1CCCC1 ZINC000090874612 180050741 /nfs/dbraw/zinc/05/07/41/180050741.db2.gz NDTXTHLKLFKBRM-HOCLYGCPSA-N 1 3 274.408 2.312 10 0 CEAEHO C[C@@H](C[NH2+]C[C@@H]1Cc2ccccc2O1)CN1CCCC1 ZINC000090874612 180050743 /nfs/dbraw/zinc/05/07/43/180050743.db2.gz NDTXTHLKLFKBRM-HOCLYGCPSA-N 1 3 274.408 2.312 10 0 CEAEHO [NH3+]CCc1nc(CNC2CCCCCC2)cs1 ZINC000090958092 180075041 /nfs/dbraw/zinc/07/50/41/180075041.db2.gz NGOLAAJRELDYPK-UHFFFAOYSA-N 1 3 253.415 2.457 10 0 CEAEHO CCC1(CC)CC[NH+](CC[C@@H]2CNCCO2)CC1 ZINC000091314206 180133484 /nfs/dbraw/zinc/13/34/84/180133484.db2.gz VEVNCLQTDRPQFS-CQSZACIVSA-N 1 3 254.418 2.267 10 0 CEAEHO CN(C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)C1CCN(C)CC1 ZINC000091362076 180141671 /nfs/dbraw/zinc/14/16/71/180141671.db2.gz DTQSVPVJYIDAMV-ZOBUZTSGSA-N 1 3 279.472 2.323 10 0 CEAEHO C[C@@H]1C[C@@H]1c1ccc([C@@H](CN)N2CCC[C@H]([NH+](C)C)C2)o1 ZINC000091394673 180146588 /nfs/dbraw/zinc/14/65/88/180146588.db2.gz GBKQOJIRLXOVDI-CBBWQLFWSA-N 1 3 291.439 2.429 10 0 CEAEHO CCC[NH2+][C@H](CCN(CC)CC)Cc1cnccc1N ZINC000091716779 180231924 /nfs/dbraw/zinc/23/19/24/180231924.db2.gz LICFNPFLXHVVFS-OAHLLOKOSA-N 1 3 278.444 2.306 10 0 CEAEHO CCn1nc(C)c(Cl)c1C[C@@H](N)CC[NH+](CC)CC ZINC000091715849 180232128 /nfs/dbraw/zinc/23/21/28/180232128.db2.gz AHHQTEDUEQSHII-LBPRGKRZSA-N 1 3 286.851 2.467 10 0 CEAEHO Cc1ncc(C[NH2+]C[C@H]2CCN(C)C2)n1-c1ccccc1 ZINC000092128858 180330003 /nfs/dbraw/zinc/33/00/03/180330003.db2.gz LQOQWMNKLRMCFG-OAHLLOKOSA-N 1 3 284.407 2.222 10 0 CEAEHO C[N@@H+]1CC[C@H](CNC[C@@H]2Cc3ccccc3S2)C1 ZINC000092242700 180351534 /nfs/dbraw/zinc/35/15/34/180351534.db2.gz UILYTKXQPMISLR-OCCSQVGLSA-N 1 3 262.422 2.245 10 0 CEAEHO C[N@H+]1CC[C@H](CNC[C@@H]2Cc3ccccc3S2)C1 ZINC000092242700 180351536 /nfs/dbraw/zinc/35/15/36/180351536.db2.gz UILYTKXQPMISLR-OCCSQVGLSA-N 1 3 262.422 2.245 10 0 CEAEHO C[C@@H]1CCNCC[N@@H+]1C[C@@H]1Cc2ccccc2S1 ZINC000092273138 180356519 /nfs/dbraw/zinc/35/65/19/180356519.db2.gz IZSROBPADCLCDZ-OCCSQVGLSA-N 1 3 262.422 2.387 10 0 CEAEHO C[C@@H]1CCNCC[N@H+]1C[C@@H]1Cc2ccccc2S1 ZINC000092273138 180356520 /nfs/dbraw/zinc/35/65/20/180356520.db2.gz IZSROBPADCLCDZ-OCCSQVGLSA-N 1 3 262.422 2.387 10 0 CEAEHO CCNc1ccnc(CN2CCC(C[NH+](C)C)CC2)c1 ZINC000092418477 180381119 /nfs/dbraw/zinc/38/11/19/180381119.db2.gz ZKKIEOIXYVTHAL-UHFFFAOYSA-N 1 3 276.428 2.287 10 0 CEAEHO CCCNc1ccnc(CN2CCC[C@H]2C[NH+](C)C)c1 ZINC000092419026 180382049 /nfs/dbraw/zinc/38/20/49/180382049.db2.gz HYUYQOSSUNXGBD-INIZCTEOSA-N 1 3 276.428 2.430 10 0 CEAEHO CC[C@H](c1nc(CCN(CC)CC)no1)[C@H](C)[NH2+]C ZINC000109496128 186256339 /nfs/dbraw/zinc/25/63/39/186256339.db2.gz GGOKOQGZIDBTEP-RYUDHWBXSA-N 1 3 268.405 2.055 10 0 CEAEHO CCC[NH2+][C@H](C)[C@H](C)c1nc(CCN(CC)CC)no1 ZINC000109496306 186256833 /nfs/dbraw/zinc/25/68/33/186256833.db2.gz POJCYJWCCLPNCI-QWHCGFSZSA-N 1 3 282.432 2.446 10 0 CEAEHO Cc1ccc([C@@H](CN)N2CCC(C[NH+](C)C)CC2)cc1F ZINC000110977530 186338487 /nfs/dbraw/zinc/33/84/87/186338487.db2.gz IIELIEQHGBVIDK-QGZVFWFLSA-N 1 3 293.430 2.408 10 0 CEAEHO Cc1ccc([C@H](CN)N2CCC(C[NH+](C)C)CC2)cc1F ZINC000110977533 186339540 /nfs/dbraw/zinc/33/95/40/186339540.db2.gz IIELIEQHGBVIDK-KRWDZBQOSA-N 1 3 293.430 2.408 10 0 CEAEHO CC[C@@H]([C@H]([NH3+])c1ccccc1)N1CCN(C)C(C)(C)C1 ZINC000110716302 186315767 /nfs/dbraw/zinc/31/57/67/186315767.db2.gz KPPMPLTZOGSVQU-JKSUJKDBSA-N 1 3 275.440 2.491 10 0 CEAEHO CC[C@H]([NH3+])[C@@H](c1cccc(C)c1)N(C)CCN(C)C ZINC000111129633 186356180 /nfs/dbraw/zinc/35/61/80/186356180.db2.gz CVAQNIWYKYUNPK-JKSUJKDBSA-N 1 3 263.429 2.267 10 0 CEAEHO C[NH2+][C@@H](CN(C)CCN(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000111135124 186357107 /nfs/dbraw/zinc/35/71/07/186357107.db2.gz SBMKJUFEHBNVIA-LESVLKBLSA-N 1 3 293.499 2.284 10 0 CEAEHO CC[C@@H]([C@H](N)c1ccccc1)N(C)CCC[NH+](C)C ZINC000111136089 186357484 /nfs/dbraw/zinc/35/74/84/186357484.db2.gz BXEQNXKERCSSSV-JKSUJKDBSA-N 1 3 263.429 2.349 10 0 CEAEHO CCC[NH2+][C@H]1CCN(CC2CCOCC2)C[C@@H]1C ZINC000111164248 186363463 /nfs/dbraw/zinc/36/34/63/186363463.db2.gz LBDWIHRLCRCGKY-ZFWWWQNUSA-N 1 3 254.418 2.123 10 0 CEAEHO CC(C)[NH2+]C[C@](C)(CN(C)CCN(C)C)c1ccccc1 ZINC000111146637 186358269 /nfs/dbraw/zinc/35/82/69/186358269.db2.gz FQNVGXLEGBGMAU-GOSISDBHSA-N 1 3 291.483 2.436 10 0 CEAEHO CC[NH2+][C@@H](c1ccccc1)[C@@H](C)CN(C)CCN(C)C ZINC000111147464 186358804 /nfs/dbraw/zinc/35/88/04/186358804.db2.gz UZJQCVSFOGKJAE-DOTOQJQBSA-N 1 3 277.456 2.467 10 0 CEAEHO CC(C)(C)[NH2+]C[C@]1(CN2CCCC2)CCCOC1 ZINC000111323652 186396646 /nfs/dbraw/zinc/39/66/46/186396646.db2.gz HKEKLWFUEWXPLW-HNNXBMFYSA-N 1 3 254.418 2.267 10 0 CEAEHO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)C1 ZINC000250807834 539968641 /nfs/dbraw/zinc/96/86/41/539968641.db2.gz CWOZNEXTFRSPGE-UYJHQMFVSA-N 1 3 266.429 2.190 10 0 CEAEHO O[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250807834 539968643 /nfs/dbraw/zinc/96/86/43/539968643.db2.gz CWOZNEXTFRSPGE-UYJHQMFVSA-N 1 3 266.429 2.190 10 0 CEAEHO COc1cccc([C@H](CN[C@H]2CCC[NH2+]CC2)N(C)C)c1 ZINC000133526062 366232838 /nfs/dbraw/zinc/23/28/38/366232838.db2.gz KIJGKXHYORIQLE-RDJZCZTQSA-N 1 3 291.439 2.030 10 0 CEAEHO C[NH+](C)CCn1cccc1[C@H](N)COc1ccccc1 ZINC000011848800 361366391 /nfs/dbraw/zinc/36/63/91/361366391.db2.gz IQDCQHRRJTVJFH-OAHLLOKOSA-N 1 3 273.380 2.129 10 0 CEAEHO C[C@H]1CN(Cc2cccc3cccnc32)C[C@@H]1C[NH3+] ZINC000631841226 367582640 /nfs/dbraw/zinc/58/26/40/367582640.db2.gz ZVQNJLZWQDDZII-WFASDCNBSA-N 1 3 255.365 2.261 10 0 CEAEHO C[C@H]1C[N@H+](Cc2cccc3cccnc32)C[C@@H]1CN ZINC000631841226 367582646 /nfs/dbraw/zinc/58/26/46/367582646.db2.gz ZVQNJLZWQDDZII-WFASDCNBSA-N 1 3 255.365 2.261 10 0 CEAEHO C[C@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@@H]1CN ZINC000631841226 367582651 /nfs/dbraw/zinc/58/26/51/367582651.db2.gz ZVQNJLZWQDDZII-WFASDCNBSA-N 1 3 255.365 2.261 10 0 CEAEHO C[C@H](Cc1ccccc1F)NC[C@H](O)C[NH+]1CCCCC1 ZINC000187820886 369229296 /nfs/dbraw/zinc/22/92/96/369229296.db2.gz JPEKDKKKDQWSSY-ZBFHGGJFSA-N 1 3 294.414 2.193 10 0 CEAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(-n4ccnc4)cc3)C[C@@H]12 ZINC000261601786 371673263 /nfs/dbraw/zinc/67/32/63/371673263.db2.gz BTJFFPKXIZKUDZ-USXIJHARSA-N 1 3 282.391 2.041 10 0 CEAEHO COc1cccc([C@H](C)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261579382 371659431 /nfs/dbraw/zinc/65/94/31/371659431.db2.gz DTURRIKELYQHGP-MZGVZZPPSA-N 1 3 260.381 2.425 10 0 CEAEHO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2C[C@H]2CCCNC2)C1 ZINC000261947696 371781418 /nfs/dbraw/zinc/78/14/18/371781418.db2.gz NMNJBSYIEAIIOX-HMDCTGQHSA-N 1 3 280.456 2.248 10 0 CEAEHO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2C[C@H]2CCCNC2)C1 ZINC000261947696 371781426 /nfs/dbraw/zinc/78/14/26/371781426.db2.gz NMNJBSYIEAIIOX-HMDCTGQHSA-N 1 3 280.456 2.248 10 0 CEAEHO COc1cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1C ZINC000262003787 371796380 /nfs/dbraw/zinc/79/63/80/371796380.db2.gz UKEYCQTYCHSDNV-SOUVJXGZSA-N 1 3 260.381 2.173 10 0 CEAEHO NC[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1c1ccccc1 ZINC000262009338 371796841 /nfs/dbraw/zinc/79/68/41/371796841.db2.gz UXWYUTGGWBBJCW-UAGQMJEPSA-N 1 3 274.408 2.087 10 0 CEAEHO NC[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1c1ccccc1 ZINC000262009338 371796848 /nfs/dbraw/zinc/79/68/48/371796848.db2.gz UXWYUTGGWBBJCW-UAGQMJEPSA-N 1 3 274.408 2.087 10 0 CEAEHO Cc1cccc(C)c1OCCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262083957 371821371 /nfs/dbraw/zinc/82/13/71/371821371.db2.gz FRWBSQMJWAAHFE-JYJNAYRXSA-N 1 3 274.408 2.351 10 0 CEAEHO CC(C)CN(CC[NH+](C)C)c1cccc(F)c1CN ZINC000093395384 184670915 /nfs/dbraw/zinc/67/09/15/184670915.db2.gz FWTASSANBPQLEJ-UHFFFAOYSA-N 1 3 267.392 2.308 10 0 CEAEHO CC(C)(C)N1CCN(C[C@H]2CCC(C)(C)[C@H]2[NH3+])CC1 ZINC000094317813 184780009 /nfs/dbraw/zinc/78/00/09/184780009.db2.gz NPUCYPKHGURNID-KGLIPLIRSA-N 1 3 267.461 2.166 10 0 CEAEHO CC[C@@H](N)[C@H]([N@@H+]1CCC[C@@H]1CN(C)C)C(C)(C)C ZINC000061642081 522650499 /nfs/dbraw/zinc/65/04/99/522650499.db2.gz KELVUULDMLVHRU-MCIONIFRSA-N 1 3 255.450 2.164 10 0 CEAEHO CC[C@@H](N)[C@H]([N@H+]1CCC[C@@H]1CN(C)C)C(C)(C)C ZINC000061642081 522650508 /nfs/dbraw/zinc/65/05/08/522650508.db2.gz KELVUULDMLVHRU-MCIONIFRSA-N 1 3 255.450 2.164 10 0 CEAEHO C[NH+](C)CC1CCN([C@H]2CCCCCC2=O)CC1 ZINC000042391556 174706849 /nfs/dbraw/zinc/70/68/49/174706849.db2.gz BIDITBDNBDMWIW-AWEZNQCLSA-N 1 3 252.402 2.162 10 0 CEAEHO CCN(CC)[C@H](CN[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043323924 175006258 /nfs/dbraw/zinc/00/62/58/175006258.db2.gz DRKVWFFCMZRCCB-IAGOWNOFSA-N 1 3 275.440 2.411 10 0 CEAEHO CC[NH2+][C@H]1CCCCC[C@H]1N(C)C1CCN(C)CC1 ZINC000043815321 175112123 /nfs/dbraw/zinc/11/21/23/175112123.db2.gz RSVGLVYQCDZKDY-JKSUJKDBSA-N 1 3 267.461 2.323 10 0 CEAEHO CCC[NH2+][C@H]1CCCC[C@@H]1N1CCN(CC2CC2)CC1 ZINC000043968017 175129359 /nfs/dbraw/zinc/12/93/59/175129359.db2.gz XSOFNQGZLBOTCR-IRXDYDNUSA-N 1 3 279.472 2.325 10 0 CEAEHO CCCC(C[NH3+])(CCC)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000044805812 175256719 /nfs/dbraw/zinc/25/67/19/175256719.db2.gz KHTHZCDTHPUUSW-CQSZACIVSA-N 1 3 283.460 2.132 10 0 CEAEHO CN[C@@H]1CCOC[C@@H]1[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073293 175302780 /nfs/dbraw/zinc/30/27/80/175302780.db2.gz MBYNEDQKLHTXTI-KFWWJZLASA-N 1 3 252.402 2.018 10 0 CEAEHO CN[C@@H]1CCOC[C@@H]1[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073293 175302782 /nfs/dbraw/zinc/30/27/82/175302782.db2.gz MBYNEDQKLHTXTI-KFWWJZLASA-N 1 3 252.402 2.018 10 0 CEAEHO C[C@](CCCC[NH+]1CCCCCCC1)(NC1CC1)C(N)=O ZINC000045371476 175364340 /nfs/dbraw/zinc/36/43/40/175364340.db2.gz JKTKKNDILZWUOX-QGZVFWFLSA-N 1 3 295.471 2.419 10 0 CEAEHO CCN[C@](C)(CCCC[NH+]1CCCCCCC1)C(N)=O ZINC000045371454 175364343 /nfs/dbraw/zinc/36/43/43/175364343.db2.gz XVQAJPYGJVBCHU-MRXNPFEDSA-N 1 3 283.460 2.276 10 0 CEAEHO CC[C@H]1CCC[C@](CN)([N@@H+]2CC[C@H](N3CCCC3)C2)C1 ZINC000071124830 176035425 /nfs/dbraw/zinc/03/54/25/176035425.db2.gz NNTOKWSDWXDTNB-ULQDDVLXSA-N 1 3 279.472 2.454 10 0 CEAEHO CC[C@H]1CCC[C@](CN)([N@H+]2CC[C@H](N3CCCC3)C2)C1 ZINC000071124830 176035427 /nfs/dbraw/zinc/03/54/27/176035427.db2.gz NNTOKWSDWXDTNB-ULQDDVLXSA-N 1 3 279.472 2.454 10 0 CEAEHO CC[C@H]1CCC[C@](CN)([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000071124616 176035468 /nfs/dbraw/zinc/03/54/68/176035468.db2.gz AQRSEHPGXXGZDG-XHSDSOJGSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@H]1CCC[C@](CN)([N@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000071124616 176035469 /nfs/dbraw/zinc/03/54/69/176035469.db2.gz AQRSEHPGXXGZDG-XHSDSOJGSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@H]1CCCC[C@]1(C[NH3+])N1CCN(C(C)C)CC1 ZINC000071161674 176046163 /nfs/dbraw/zinc/04/61/63/176046163.db2.gz VVDXPDZVMUIMFV-JKSUJKDBSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@H]1CCCC[C@]1(CN)[NH+]1CCN(C(C)C)CC1 ZINC000071161674 176046165 /nfs/dbraw/zinc/04/61/65/176046165.db2.gz VVDXPDZVMUIMFV-JKSUJKDBSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@@H](C)C[C@](CC)(CN)[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188596 176063357 /nfs/dbraw/zinc/06/33/57/176063357.db2.gz MGXOSEADHSRVPY-BZUAXINKSA-N 1 3 269.477 2.414 10 0 CEAEHO CC[C@@H](C)C[C@](CC)(CN)[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188596 176063358 /nfs/dbraw/zinc/06/33/58/176063358.db2.gz MGXOSEADHSRVPY-BZUAXINKSA-N 1 3 269.477 2.414 10 0 CEAEHO Cc1oc(CN(C)C[C@@H]2CC[N@H+](C)C2)cc1CNC(C)C ZINC000071191948 176071455 /nfs/dbraw/zinc/07/14/55/176071455.db2.gz JYJZPPRNPHOENE-OAHLLOKOSA-N 1 3 293.455 2.470 10 0 CEAEHO Cc1oc(CN(C)C[C@@H]2CC[N@@H+](C)C2)cc1CNC(C)C ZINC000071191948 176071457 /nfs/dbraw/zinc/07/14/57/176071457.db2.gz JYJZPPRNPHOENE-OAHLLOKOSA-N 1 3 293.455 2.470 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@H+](CCn2ccnc2C)[C@@H](CC)CN1 ZINC000071354141 176136191 /nfs/dbraw/zinc/13/61/91/176136191.db2.gz GEVMTWIHMKLMBJ-CWRNSKLLSA-N 1 3 278.444 2.290 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@@H+](CCn2ccnc2C)[C@@H](CC)CN1 ZINC000071354141 176136192 /nfs/dbraw/zinc/13/61/92/176136192.db2.gz GEVMTWIHMKLMBJ-CWRNSKLLSA-N 1 3 278.444 2.290 10 0 CEAEHO CC[C@@]1(C)CN(CCn2ccnc2C)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071358093 176137347 /nfs/dbraw/zinc/13/73/47/176137347.db2.gz YWRONTJWPLVIKD-DLBZAZTESA-N 1 3 290.455 2.434 10 0 CEAEHO C[NH+](C)CCCOc1nc2ccccc2cc1CN ZINC000071385923 176147486 /nfs/dbraw/zinc/14/74/86/176147486.db2.gz XRPJYCLXIYJEQF-UHFFFAOYSA-N 1 3 259.353 2.024 10 0 CEAEHO CCOc1ccc(CCC[N@@H+]2CCCNCC2)cc1 ZINC000071589142 176217441 /nfs/dbraw/zinc/21/74/41/176217441.db2.gz RIWGWCGZSXZQMD-UHFFFAOYSA-N 1 3 262.397 2.313 10 0 CEAEHO CCOc1ccc(CCC[N@H+]2CCCNCC2)cc1 ZINC000071589142 176217442 /nfs/dbraw/zinc/21/74/42/176217442.db2.gz RIWGWCGZSXZQMD-UHFFFAOYSA-N 1 3 262.397 2.313 10 0 CEAEHO CN(C[C@H](CC[NH3+])N1CCCCC1)c1ccccc1 ZINC000076673561 177055116 /nfs/dbraw/zinc/05/51/16/177055116.db2.gz VYUPXUSUQLVBKM-INIZCTEOSA-N 1 3 261.413 2.326 10 0 CEAEHO CC(C)CN(CCN(C)C)[C@H](C)C[NH2+]C(C)(C)C ZINC000052503270 519716830 /nfs/dbraw/zinc/71/68/30/519716830.db2.gz MCWHUMGGUMEKAU-CQSZACIVSA-N 1 3 257.466 2.283 10 0 CEAEHO CC(C)CN1CCN(CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000055083736 519726093 /nfs/dbraw/zinc/72/60/93/519726093.db2.gz OWGMMFXXHYNNGQ-MRXNPFEDSA-N 1 3 267.461 2.182 10 0 CEAEHO CCC[NH2+]CCCCCN1CCO[C@@H]2CCC[C@@H]21 ZINC000052540312 519911965 /nfs/dbraw/zinc/91/19/65/519911965.db2.gz TUIXLPCCYUJSEA-LSDHHAIUSA-N 1 3 254.418 2.410 10 0 CEAEHO CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1CN(CC)CCO ZINC000054560039 520122911 /nfs/dbraw/zinc/12/29/11/520122911.db2.gz FRKYYOAGLCQNMX-ARFHVFGLSA-N 1 3 270.461 2.351 10 0 CEAEHO CCC(CC)[N@H+](CCOC)CC1(CNC)CCOCC1 ZINC000052197810 521559674 /nfs/dbraw/zinc/55/96/74/521559674.db2.gz DURUZGLDLWJAHB-UHFFFAOYSA-N 1 3 286.460 2.140 10 0 CEAEHO CCC(CC)[N@@H+](CCOC)CC1(CNC)CCOCC1 ZINC000052197810 521559682 /nfs/dbraw/zinc/55/96/82/521559682.db2.gz DURUZGLDLWJAHB-UHFFFAOYSA-N 1 3 286.460 2.140 10 0 CEAEHO CCC(CC)N(CCOC)CC1(C[NH2+]C)CCOCC1 ZINC000052197810 521559693 /nfs/dbraw/zinc/55/96/93/521559693.db2.gz DURUZGLDLWJAHB-UHFFFAOYSA-N 1 3 286.460 2.140 10 0 CEAEHO CC[C@@H](C)N1CCN(CC(C)(C)C[NH2+]C2CC2)CC1 ZINC000055072149 522117747 /nfs/dbraw/zinc/11/77/47/522117747.db2.gz OXYOJSQBRIMVRY-CQSZACIVSA-N 1 3 267.461 2.181 10 0 CEAEHO C[NH2+]Cc1cccc(CN2CCCSCC2)c1 ZINC000052371019 522128212 /nfs/dbraw/zinc/12/82/12/522128212.db2.gz ARBVDENVBITIGK-UHFFFAOYSA-N 1 3 250.411 2.345 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@]2(C[NH3+])CCCC[C@@H]2C)CC1 ZINC000055064718 522132344 /nfs/dbraw/zinc/13/23/44/522132344.db2.gz ICIDFFMUSHGZDW-ARFHVFGLSA-N 1 3 267.461 2.310 10 0 CEAEHO C[C@H](NCCCN1CCc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400464959 533852825 /nfs/dbraw/zinc/85/28/25/533852825.db2.gz VTTNQHBUBYBLRX-GOEBONIOSA-N 1 3 273.424 2.027 10 0 CEAEHO CN(C)Cc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089389337 517907422 /nfs/dbraw/zinc/90/74/22/517907422.db2.gz HLEDKWHMYDQWGA-GOEBONIOSA-N 1 3 289.423 2.452 10 0 CEAEHO C(C[C@H]1CCCC[NH2+]1)CN1CCO[C@H]2CCC[C@@H]21 ZINC000050953911 518396140 /nfs/dbraw/zinc/39/61/40/518396140.db2.gz IMVDWPOGXDALAP-ILXRZTDVSA-N 1 3 252.402 2.162 10 0 CEAEHO CC(C)[NH2+]CCO[C@@H]1CCN(Cc2ccccc2)C1 ZINC000061702272 519721722 /nfs/dbraw/zinc/72/17/22/519721722.db2.gz KJJZXQXUSJSVGC-MRXNPFEDSA-N 1 3 262.397 2.276 10 0 CEAEHO CC(C)[NH2+]C[C@H](C(C)C)N1CCC[C@@H]1CN(C)C ZINC000061654669 519724473 /nfs/dbraw/zinc/72/44/73/519724473.db2.gz PPQLXGFXVOMYKJ-HUUCEWRRSA-N 1 3 255.450 2.035 10 0 CEAEHO CC(C)CN1CCN(CC[NH2+]Cc2cccs2)CC1 ZINC000055076094 519726142 /nfs/dbraw/zinc/72/61/42/519726142.db2.gz KWFWQEPMKPJMGV-UHFFFAOYSA-N 1 3 281.469 2.111 10 0 CEAEHO CC(C)C[NH2+]Cc1ccccc1OCCOCCN(C)C ZINC000052669663 519747692 /nfs/dbraw/zinc/74/76/92/519747692.db2.gz OHEGAYLQOQFEPO-UHFFFAOYSA-N 1 3 294.439 2.389 10 0 CEAEHO CCCC1CC[NH+](CCC[C@](C)(NC2CC2)C(N)=O)CC1 ZINC000050905796 519900755 /nfs/dbraw/zinc/90/07/55/519900755.db2.gz BRFOHWBRNACVQO-KRWDZBQOSA-N 1 3 295.471 2.275 10 0 CEAEHO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H](C)N(C)C ZINC000054602622 519907225 /nfs/dbraw/zinc/90/72/25/519907225.db2.gz VPPDDLSZJFOBDF-WZYMTQMTSA-N 1 3 267.461 2.322 10 0 CEAEHO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC[C@@H]1CCCO1 ZINC000054629394 519910725 /nfs/dbraw/zinc/91/07/25/519910725.db2.gz JDLLLYYJFUKTRY-DKUMPPAJSA-N 1 3 252.402 2.160 10 0 CEAEHO CC[NH2+]CCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000052416921 519919175 /nfs/dbraw/zinc/91/91/75/519919175.db2.gz IOQJTVPWHLMLBK-QGZVFWFLSA-N 1 3 275.440 2.365 10 0 CEAEHO CCC[NH2+]CC[C@H](C)N1CCN(C2CCCC2)CC1 ZINC000052573557 519919607 /nfs/dbraw/zinc/91/96/07/519919607.db2.gz LTAWMXSFTSBGFF-HNNXBMFYSA-N 1 3 267.461 2.325 10 0 CEAEHO CC[NH2+]C[C@@H]1CC[C@H](CN(C)Cc2ccc(F)cc2)O1 ZINC000052346222 519953156 /nfs/dbraw/zinc/95/31/56/519953156.db2.gz QKCBNIMMOBVLSW-JKSUJKDBSA-N 1 3 280.387 2.415 10 0 CEAEHO CCC[NH2+]Cc1ccccc1CN1CCN(C2CC2)CC1 ZINC000052371419 519955782 /nfs/dbraw/zinc/95/57/82/519955782.db2.gz RBVHQMABMYNCLM-UHFFFAOYSA-N 1 3 287.451 2.466 10 0 CEAEHO CC[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2ccc(F)cc2)O1 ZINC000052346225 519977425 /nfs/dbraw/zinc/97/74/25/519977425.db2.gz QKCBNIMMOBVLSW-CVEARBPZSA-N 1 3 280.387 2.415 10 0 CEAEHO CC[NH2+]C[C@](C)(CC)CN1CCN([C@@H](C)CC)CC1 ZINC000055071839 519981862 /nfs/dbraw/zinc/98/18/62/519981862.db2.gz UDIMTZGCNNTCLY-HOTGVXAUSA-N 1 3 269.477 2.428 10 0 CEAEHO CC[NH2+]Cc1ccc(CN(CCCOC)CCOC)cc1 ZINC000052543296 519996177 /nfs/dbraw/zinc/99/61/77/519996177.db2.gz MFMFXMJSQLJTBP-UHFFFAOYSA-N 1 3 294.439 2.281 10 0 CEAEHO CCCOc1cccc([C@@H](C[NH3+])N2CCCN(C)CC2)c1 ZINC000052920921 520464190 /nfs/dbraw/zinc/46/41/90/520464190.db2.gz IOIMEZSYPANFFO-QGZVFWFLSA-N 1 3 291.439 2.113 10 0 CEAEHO CC[NH+](CC)[C@H]1CCN([C@@H]2CNCc3ccccc32)C1 ZINC000069267434 520873979 /nfs/dbraw/zinc/87/39/79/520873979.db2.gz PSNNLYUUFZLCAY-DOTOQJQBSA-N 1 3 273.424 2.247 10 0 CEAEHO CCN(CC1CC1)[C@@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000069237275 520964469 /nfs/dbraw/zinc/96/44/69/520964469.db2.gz JHMGIJFVGAGHJG-LBPRGKRZSA-N 1 3 275.396 2.204 10 0 CEAEHO CC[N@H+](CCCOc1ccccc1)C[C@H](C)CN ZINC000061815652 521040455 /nfs/dbraw/zinc/04/04/55/521040455.db2.gz LUNFIOKIFKSZAB-CQSZACIVSA-N 1 3 250.386 2.372 10 0 CEAEHO CC[N@@H+](CCCOc1ccccc1)C[C@H](C)CN ZINC000061815652 521040458 /nfs/dbraw/zinc/04/04/58/521040458.db2.gz LUNFIOKIFKSZAB-CQSZACIVSA-N 1 3 250.386 2.372 10 0 CEAEHO CCN(CCCOc1ccccc1)C[C@H](C)C[NH3+] ZINC000061815652 521040467 /nfs/dbraw/zinc/04/04/67/521040467.db2.gz LUNFIOKIFKSZAB-CQSZACIVSA-N 1 3 250.386 2.372 10 0 CEAEHO CCC[C@H](C)[C@@H](C[NH3+])N1CCN([C@@H](C)CC)CC1 ZINC000055064427 521064646 /nfs/dbraw/zinc/06/46/46/521064646.db2.gz RADMAKODUYFGFX-SOUVJXGZSA-N 1 3 255.450 2.166 10 0 CEAEHO CCN1CCC(N(C)c2nc(C)c([C@@H](C)[NH3+])s2)CC1 ZINC000054897675 521566395 /nfs/dbraw/zinc/56/63/95/521566395.db2.gz ZXCOCIJOWNQTMW-SNVBAGLBSA-N 1 3 282.457 2.392 10 0 CEAEHO CCC(CC)[C@H](CNC(=O)[C@@H](N)[C@@H](C)CC)[NH+]1CCCC1 ZINC000164393672 521617590 /nfs/dbraw/zinc/61/75/90/521617590.db2.gz CBYSMGVQBQVWTC-BPUTZDHNSA-N 1 3 297.487 2.377 10 0 CEAEHO CCOC1CCN(C[C@@H]2CC[C@H](C[NH2+]C(C)C)O2)CC1 ZINC000052484087 521655888 /nfs/dbraw/zinc/65/58/88/521655888.db2.gz LANLARQSKYOCCU-CVEARBPZSA-N 1 3 284.444 2.033 10 0 CEAEHO CCC1(C)CC[NH+](CCCC[C@](C)(NC)C(N)=O)CC1 ZINC000062956342 521677314 /nfs/dbraw/zinc/67/73/14/521677314.db2.gz WAHWJTVXRPLTMP-INIZCTEOSA-N 1 3 283.460 2.132 10 0 CEAEHO CCN1CCN(Cc2c3ccccc3oc2C[NH2+]C)CC1 ZINC000052422338 521688159 /nfs/dbraw/zinc/68/81/59/521688159.db2.gz FXMPWHMKKTWKIT-UHFFFAOYSA-N 1 3 287.407 2.290 10 0 CEAEHO CC[C@@H](C)N1CCN(CC[NH2+]CCC(C)C)CC1 ZINC000055075357 522120649 /nfs/dbraw/zinc/12/06/49/522120649.db2.gz MNLXEXRDVSDMIU-OAHLLOKOSA-N 1 3 255.450 2.038 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](C)C[NH2+]CCC(C)C)CC1 ZINC000055075297 522129959 /nfs/dbraw/zinc/12/99/59/522129959.db2.gz WPSJMOMMQRZBHS-CVEARBPZSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@H](C[NH2+]CC(C)C)N1CCN(CC(C)C)CC1 ZINC000055083020 522195078 /nfs/dbraw/zinc/19/50/78/522195078.db2.gz CJEFJRWEFKEZTC-MRXNPFEDSA-N 1 3 269.477 2.284 10 0 CEAEHO C[NH2+][C@H](C)c1ccccc1N1CCN(CC2CC2)CC1 ZINC000048994225 522450703 /nfs/dbraw/zinc/45/07/03/522450703.db2.gz VIGMUXHPWWITKB-CQSZACIVSA-N 1 3 273.424 2.499 10 0 CEAEHO CC[C@@H]1CSC(N[C@@H](C)CN2CCCCC2)=[NH+]1 ZINC000049502342 523519382 /nfs/dbraw/zinc/51/93/82/523519382.db2.gz XFEKWZVCGAIXDA-NWDGAFQWSA-N 1 3 255.431 2.332 10 0 CEAEHO CC[C@H](C)N1CCN(Cc2cc(F)ccc2C[NH3+])CC1 ZINC000069401564 523957313 /nfs/dbraw/zinc/95/73/13/523957313.db2.gz OKUGHVMIPGNSQQ-ZDUSSCGKSA-N 1 3 279.403 2.201 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000055064242 523957713 /nfs/dbraw/zinc/95/77/13/523957713.db2.gz SINFHTCOKHQQDG-RDJZCZTQSA-N 1 3 275.440 2.493 10 0 CEAEHO C[NH+](C)C1CCN(c2nc3c(s2)[C@H](N)CCC3)CC1 ZINC000054895682 524040815 /nfs/dbraw/zinc/04/08/15/524040815.db2.gz ZZEJSSPRPXNQDD-LLVKDONJSA-N 1 3 280.441 2.010 10 0 CEAEHO C[NH+](C)CC1CCN(c2nc(C3CC3)c(CN)s2)CC1 ZINC000069180471 524050547 /nfs/dbraw/zinc/05/05/47/524050547.db2.gz FBNUNOGPBBJZON-UHFFFAOYSA-N 1 3 294.468 2.257 10 0 CEAEHO C[C@@H](CC[NH2+]C(C)(C)C)N1CCN(CC2CC2)CC1 ZINC000052372545 524498373 /nfs/dbraw/zinc/49/83/73/524498373.db2.gz QVRSCVICWXWGSA-AWEZNQCLSA-N 1 3 267.461 2.181 10 0 CEAEHO C[C@@H]1CC[C@H](C)[C@@](C[NH3+])(N2CCN(CC3CC3)CC2)C1 ZINC000068628138 524658529 /nfs/dbraw/zinc/65/85/29/524658529.db2.gz MCUMMFPHRBZJQP-HLLBOEOZSA-N 1 3 279.472 2.168 10 0 CEAEHO C[C@H]([NH3+])c1ccc(NC(=O)N2CCC[C@H]2CN(C)C)cc1 ZINC000061655770 524866112 /nfs/dbraw/zinc/86/61/12/524866112.db2.gz QJTXTPWZDBNESK-WFASDCNBSA-N 1 3 290.411 2.264 10 0 CEAEHO Cc1ccccc1[C@@H]([C@H](C)N)[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061642048 525378466 /nfs/dbraw/zinc/37/84/66/525378466.db2.gz IYGAXUXKUSPRHZ-ZMSDIMECSA-N 1 3 275.440 2.409 10 0 CEAEHO Cc1ccccc1[C@@H]([C@H](C)N)[N@H+]1CCC[C@@H]1CN(C)C ZINC000061642048 525378472 /nfs/dbraw/zinc/37/84/72/525378472.db2.gz IYGAXUXKUSPRHZ-ZMSDIMECSA-N 1 3 275.440 2.409 10 0 CEAEHO Cc1n[nH]cc1CCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000157433474 525498648 /nfs/dbraw/zinc/49/86/48/525498648.db2.gz XGSRJXVTLJCPBE-HZPDHXFCSA-N 1 3 270.380 2.385 10 0 CEAEHO C[C@@H]([C@@H](N)c1ccccc1)[N@H+](C)C1CCN(C)CC1 ZINC000052684816 526019611 /nfs/dbraw/zinc/01/96/11/526019611.db2.gz RHVNETGXFISIEE-XJKSGUPXSA-N 1 3 261.413 2.101 10 0 CEAEHO C[C@@H]([C@@H](N)c1ccccc1)[N@@H+](C)C1CCN(C)CC1 ZINC000052684816 526019622 /nfs/dbraw/zinc/01/96/22/526019622.db2.gz RHVNETGXFISIEE-XJKSGUPXSA-N 1 3 261.413 2.101 10 0 CEAEHO CNCc1cc(F)ccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091392121 536469130 /nfs/dbraw/zinc/46/91/30/536469130.db2.gz PVHYUEZHEZNCDN-AWEZNQCLSA-N 1 3 265.376 2.076 10 0 CEAEHO [NH3+]CC[C@@H](c1ccccc1)N1CCN(CC2CC2)CC1 ZINC000055016676 527190566 /nfs/dbraw/zinc/19/05/66/527190566.db2.gz SUCSQSPQHURIKL-KRWDZBQOSA-N 1 3 273.424 2.104 10 0 CEAEHO Cn1cc(CN(CCC[NH3+])C2CCCCCC2)cn1 ZINC000050539176 527196103 /nfs/dbraw/zinc/19/61/03/527196103.db2.gz NSTLADOSMIKIQU-UHFFFAOYSA-N 1 3 264.417 2.294 10 0 CEAEHO NCc1ccc(Cl)cc1OCC[NH+]1CCCC1 ZINC000062787197 527253566 /nfs/dbraw/zinc/25/35/66/527253566.db2.gz HAGVZQVDJXQBDE-UHFFFAOYSA-N 1 3 254.761 2.273 10 0 CEAEHO NCc1coc(CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000052484223 527264487 /nfs/dbraw/zinc/26/44/87/527264487.db2.gz RSYWINFNFWMVJN-UHFFFAOYSA-N 1 3 277.412 2.189 10 0 CEAEHO [NH3+]C1CCN(CCNc2ccnc3ccccc32)CC1 ZINC000321636166 643344949 /nfs/dbraw/zinc/34/49/49/643344949.db2.gz YUOPWUGIDNMTAE-UHFFFAOYSA-N 1 3 270.380 2.070 10 0 CEAEHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@H]1CCCO1 ZINC000036961241 361874869 /nfs/dbraw/zinc/87/48/69/361874869.db2.gz XJXYXKVMIPWOFT-CZUORRHYSA-N 1 3 275.396 2.208 10 0 CEAEHO C[C@H]([NH3+])c1ccc(CN2CCN(C)C(C)(C)C2)cc1 ZINC000142159681 344402551 /nfs/dbraw/zinc/40/25/51/344402551.db2.gz NBXILBVLWXYZML-ZDUSSCGKSA-N 1 3 261.413 2.232 10 0 CEAEHO C[C@@H]1C[C@H](N2C[C@@H](C)[NH2+][C@@H](C)C2)CN1Cc1ccccc1 ZINC000306571316 344714558 /nfs/dbraw/zinc/71/45/58/344714558.db2.gz FXJGVDUICZTVFH-HPFXQQBRSA-N 1 3 287.451 2.332 10 0 CEAEHO CN(C)Cc1ccccc1NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085359253 179032103 /nfs/dbraw/zinc/03/21/03/179032103.db2.gz MIMJQFAKQUKJFW-UONOGXRCSA-N 1 3 275.396 2.204 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@H+](C[C@@H]2CCCCO2)CCCN1 ZINC000085609445 179101122 /nfs/dbraw/zinc/10/11/22/179101122.db2.gz ULLRVVFDJUXDNO-SOUVJXGZSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@@H+](C[C@@H]2CCCCO2)CCCN1 ZINC000085609445 179101124 /nfs/dbraw/zinc/10/11/24/179101124.db2.gz ULLRVVFDJUXDNO-SOUVJXGZSA-N 1 3 254.418 2.266 10 0 CEAEHO C[N@@H+]1CCCC[C@H]1CN1CCN[C@H](c2ccccc2)C1 ZINC000086145845 179239124 /nfs/dbraw/zinc/23/91/24/179239124.db2.gz ASCQKZYBJUHQSK-IRXDYDNUSA-N 1 3 273.424 2.117 10 0 CEAEHO C[N@H+]1CCCC[C@H]1CN1CCN[C@H](c2ccccc2)C1 ZINC000086145845 179239125 /nfs/dbraw/zinc/23/91/25/179239125.db2.gz ASCQKZYBJUHQSK-IRXDYDNUSA-N 1 3 273.424 2.117 10 0 CEAEHO C[C@H]1CN[C@@H](c2ccccc2)C[N@@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182488 179247469 /nfs/dbraw/zinc/24/74/69/179247469.db2.gz VSARDBRBUXOYIJ-BMGDILEWSA-N 1 3 285.435 2.116 10 0 CEAEHO C[C@H]1CN[C@@H](c2ccccc2)C[N@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182488 179247471 /nfs/dbraw/zinc/24/74/71/179247471.db2.gz VSARDBRBUXOYIJ-BMGDILEWSA-N 1 3 285.435 2.116 10 0 CEAEHO C[C@H]1C[NH2+][C@@H](C2CCCCC2)CN1[C@@H]1CN2CCC1CC2 ZINC000086182596 179247917 /nfs/dbraw/zinc/24/79/17/179247917.db2.gz ODYSDKZAQFTGOT-BMGDILEWSA-N 1 3 291.483 2.323 10 0 CEAEHO CC[C@@H]1CNC(CC)(CC)C[N@@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182518 179248069 /nfs/dbraw/zinc/24/80/69/179248069.db2.gz BHPNCCUMZRGGKG-HZPDHXFCSA-N 1 3 279.472 2.323 10 0 CEAEHO CC[C@@H]1CNC(CC)(CC)C[N@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182518 179248070 /nfs/dbraw/zinc/24/80/70/179248070.db2.gz BHPNCCUMZRGGKG-HZPDHXFCSA-N 1 3 279.472 2.323 10 0 CEAEHO CC[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCN(CC)C1 ZINC000086223003 179250873 /nfs/dbraw/zinc/25/08/73/179250873.db2.gz MFKFJXXQPKMTJK-PVAVHDDUSA-N 1 3 279.472 2.181 10 0 CEAEHO CC[C@H]1CN[C@](C)(C2CC2)C[N@H+]1C[C@@H]1CCN(CC)C1 ZINC000086223003 179250875 /nfs/dbraw/zinc/25/08/75/179250875.db2.gz MFKFJXXQPKMTJK-PVAVHDDUSA-N 1 3 279.472 2.181 10 0 CEAEHO CC[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223100 179251275 /nfs/dbraw/zinc/25/12/75/179251275.db2.gz OKKXXQPCBDAVJH-KFWWJZLASA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@@H]1CN[C@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223100 179251277 /nfs/dbraw/zinc/25/12/77/179251277.db2.gz OKKXXQPCBDAVJH-KFWWJZLASA-N 1 3 267.461 2.037 10 0 CEAEHO CCN1CCC[C@@H](N2CC3(CCCCC3)[NH2+]C[C@@H]2C)C1 ZINC000086225399 179253668 /nfs/dbraw/zinc/25/36/68/179253668.db2.gz MRSMMEGWSYUMEU-JKSUJKDBSA-N 1 3 279.472 2.467 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1[C@@H]1CCCN(CC)C1 ZINC000086225378 179253814 /nfs/dbraw/zinc/25/38/14/179253814.db2.gz RAQJKXGKLWTJRC-BRWVUGGUSA-N 1 3 279.472 2.323 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(C2CC2)C[N@H+]1[C@@H]1CCCN(CC)C1 ZINC000086225378 179253816 /nfs/dbraw/zinc/25/38/16/179253816.db2.gz RAQJKXGKLWTJRC-BRWVUGGUSA-N 1 3 279.472 2.323 10 0 CEAEHO CC(C)[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1[C@@H](C)CCN(C)C ZINC000086227533 179254339 /nfs/dbraw/zinc/25/43/39/179254339.db2.gz GXHDLPUHTOOTLL-USXIJHARSA-N 1 3 281.488 2.425 10 0 CEAEHO CC(C)[C@H]1CN[C@@](C)(C2CC2)C[N@H+]1[C@@H](C)CCN(C)C ZINC000086227533 179254341 /nfs/dbraw/zinc/25/43/41/179254341.db2.gz GXHDLPUHTOOTLL-USXIJHARSA-N 1 3 281.488 2.425 10 0 CEAEHO CC[C@H]1CN[C@@H](CC(C)C)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259280 179258359 /nfs/dbraw/zinc/25/83/59/179258359.db2.gz GPWJOCOWKYWPGZ-IKGGRYGDSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@H]1CN[C@@H](CC(C)C)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259280 179258361 /nfs/dbraw/zinc/25/83/61/179258361.db2.gz GPWJOCOWKYWPGZ-IKGGRYGDSA-N 1 3 281.488 2.427 10 0 CEAEHO CC(C)[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259591 179258432 /nfs/dbraw/zinc/25/84/32/179258432.db2.gz RPFHVPVYSOYITE-FGTMMUONSA-N 1 3 291.483 2.322 10 0 CEAEHO CC(C)[C@@H]1CN[C@@](C)(C2CC2)C[N@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259591 179258435 /nfs/dbraw/zinc/25/84/35/179258435.db2.gz RPFHVPVYSOYITE-FGTMMUONSA-N 1 3 291.483 2.322 10 0 CEAEHO CC(C)[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259591 179258436 /nfs/dbraw/zinc/25/84/36/179258436.db2.gz RPFHVPVYSOYITE-FGTMMUONSA-N 1 3 291.483 2.322 10 0 CEAEHO CC(C)[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259594 179258581 /nfs/dbraw/zinc/25/85/81/179258581.db2.gz RPFHVPVYSOYITE-KURKYZTESA-N 1 3 291.483 2.322 10 0 CEAEHO CC(C)[C@H]1CN[C@](C)(C2CC2)C[N@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259594 179258583 /nfs/dbraw/zinc/25/85/83/179258583.db2.gz RPFHVPVYSOYITE-KURKYZTESA-N 1 3 291.483 2.322 10 0 CEAEHO CC(C)[C@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259594 179258585 /nfs/dbraw/zinc/25/85/85/179258585.db2.gz RPFHVPVYSOYITE-KURKYZTESA-N 1 3 291.483 2.322 10 0 CEAEHO CC(C)C[C@@H]1C[N@H+](CC[C@@H]2CCCO2)CCCN1 ZINC000086291376 179265190 /nfs/dbraw/zinc/26/51/90/179265190.db2.gz GPZOAFLJEJZJTM-CABCVRRESA-N 1 3 254.418 2.266 10 0 CEAEHO CC(C)C[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)CCCN1 ZINC000086291376 179265191 /nfs/dbraw/zinc/26/51/91/179265191.db2.gz GPZOAFLJEJZJTM-CABCVRRESA-N 1 3 254.418 2.266 10 0 CEAEHO CC(C)C[C@@H]1CN(CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291376 179265193 /nfs/dbraw/zinc/26/51/93/179265193.db2.gz GPZOAFLJEJZJTM-CABCVRRESA-N 1 3 254.418 2.266 10 0 CEAEHO CC(C)[C@H]1CN[C@@H](C2CC2)C[N@@H+]1CC1CCN(C)CC1 ZINC000086259023 179256403 /nfs/dbraw/zinc/25/64/03/179256403.db2.gz IYEQVBQQYLOIAR-IAGOWNOFSA-N 1 3 279.472 2.037 10 0 CEAEHO CC(C)[C@H]1CN[C@@H](C2CC2)C[N@H+]1CC1CCN(C)CC1 ZINC000086259023 179256405 /nfs/dbraw/zinc/25/64/05/179256405.db2.gz IYEQVBQQYLOIAR-IAGOWNOFSA-N 1 3 279.472 2.037 10 0 CEAEHO C([C@H]1CCCOC1)[N@@H+]1CCCNC2(CCCC2)C1 ZINC000086292473 179266010 /nfs/dbraw/zinc/26/60/10/179266010.db2.gz GXCAKXKXPSSHOM-CQSZACIVSA-N 1 3 252.402 2.021 10 0 CEAEHO C([C@H]1CCCOC1)[N@H+]1CCCNC2(CCCC2)C1 ZINC000086292473 179266011 /nfs/dbraw/zinc/26/60/11/179266011.db2.gz GXCAKXKXPSSHOM-CQSZACIVSA-N 1 3 252.402 2.021 10 0 CEAEHO CN1CCC[C@@H](C[N@@H+]2CCCN[C@H](c3ccccc3)C2)C1 ZINC000086291630 179266845 /nfs/dbraw/zinc/26/68/45/179266845.db2.gz DRHJMQWTVMUGDV-AEFFLSMTSA-N 1 3 287.451 2.365 10 0 CEAEHO CN1CCC[C@@H](C[N@H+]2CCCN[C@H](c3ccccc3)C2)C1 ZINC000086291630 179266848 /nfs/dbraw/zinc/26/68/48/179266848.db2.gz DRHJMQWTVMUGDV-AEFFLSMTSA-N 1 3 287.451 2.365 10 0 CEAEHO N[C@H]1CCCc2sc(N3CC[C@H]([NH+]4CCCC4)C3)nc21 ZINC000086444087 179293493 /nfs/dbraw/zinc/29/34/93/179293493.db2.gz BTJYXHLYARJBDO-RYUDHWBXSA-N 1 3 292.452 2.154 10 0 CEAEHO CN1CCC[C@](CN)([NH+]2CCCCCCC2)CC1 ZINC000086819257 179348332 /nfs/dbraw/zinc/34/83/32/179348332.db2.gz NTUVGWBWQBWXIH-HNNXBMFYSA-N 1 3 253.434 2.066 10 0 CEAEHO CN(C)C1(C[NH2+][C@@H]2CCCN(C)CC2)CCCCC1 ZINC000086817204 179344385 /nfs/dbraw/zinc/34/43/85/179344385.db2.gz QKXMHQGMQZYDCW-OAHLLOKOSA-N 1 3 267.461 2.325 10 0 CEAEHO CCN1CCC[C@@](CN)([N@H+](CC)CC(C)C)CC1 ZINC000086846854 179356496 /nfs/dbraw/zinc/35/64/96/179356496.db2.gz BAPOBILWFLGWLG-OAHLLOKOSA-N 1 3 255.450 2.168 10 0 CEAEHO CCN1CCC[C@@](CN)([N@@H+](CC)CC(C)C)CC1 ZINC000086846854 179356497 /nfs/dbraw/zinc/35/64/97/179356497.db2.gz BAPOBILWFLGWLG-OAHLLOKOSA-N 1 3 255.450 2.168 10 0 CEAEHO CCCN1CCC[C@H]([NH2+]CCCn2ccnc2)CC1 ZINC000086837162 179350864 /nfs/dbraw/zinc/35/08/64/179350864.db2.gz FLPYXEYNSUUKGW-HNNXBMFYSA-N 1 3 264.417 2.127 10 0 CEAEHO CCN1CCC[C@H]([NH2+]C2CCN(C(C)C)CC2)CC1 ZINC000086836804 179351584 /nfs/dbraw/zinc/35/15/84/179351584.db2.gz ZMTFEOQTFABIKN-HNNXBMFYSA-N 1 3 267.461 2.323 10 0 CEAEHO CCCN1CCC[C@H]([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000086842132 179353781 /nfs/dbraw/zinc/35/37/81/179353781.db2.gz QWLVRVITSXBJJS-GJZGRUSLSA-N 1 3 254.418 2.267 10 0 CEAEHO C[C@@]([NH3+])(CO)CCCCN1CCC(C(F)(F)F)CC1 ZINC000088439699 179602146 /nfs/dbraw/zinc/60/21/46/179602146.db2.gz CXGBEXBSKSWGCA-LBPRGKRZSA-N 1 3 282.350 2.141 10 0 CEAEHO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[C@@H]1CN ZINC000089150630 179725935 /nfs/dbraw/zinc/72/59/35/179725935.db2.gz CLEXVVSCXPSZKM-KYOSRNDESA-N 1 3 250.361 2.474 10 0 CEAEHO CN(C)Cc1cccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089452246 539717187 /nfs/dbraw/zinc/71/71/87/539717187.db2.gz JHHWGKCJUFZYMQ-HIFRSBDPSA-N 1 3 275.396 2.062 10 0 CEAEHO CCCN[C@H]1COC[C@H]1C[NH2+]C1CCCCCC1 ZINC000090566255 180005238 /nfs/dbraw/zinc/00/52/38/180005238.db2.gz HQDCHPXOOOMKEK-HIFRSBDPSA-N 1 3 254.418 2.313 10 0 CEAEHO CCCN[C@H]1COC[C@H]1C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000090566059 180005271 /nfs/dbraw/zinc/00/52/71/180005271.db2.gz WEQWSSBVHFYNRC-BARDWOONSA-N 1 3 254.418 2.264 10 0 CEAEHO CCCN[C@H]1COC[C@H]1C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000090566059 180005272 /nfs/dbraw/zinc/00/52/72/180005272.db2.gz WEQWSSBVHFYNRC-BARDWOONSA-N 1 3 254.418 2.264 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[NH+]1CCC(CC)CC1 ZINC000090566354 180005457 /nfs/dbraw/zinc/00/54/57/180005457.db2.gz YGLXTOZEATYNNC-HUUCEWRRSA-N 1 3 254.418 2.123 10 0 CEAEHO CCC[NH2+][C@@H]1COC[C@H]1CN1CCC(CC)CC1 ZINC000090566354 180005458 /nfs/dbraw/zinc/00/54/58/180005458.db2.gz YGLXTOZEATYNNC-HUUCEWRRSA-N 1 3 254.418 2.123 10 0 CEAEHO Cc1ccc2c(c1)C[C@H](CNC[C@@H]1CCC[N@@H+](C)C1)O2 ZINC000090897790 180056996 /nfs/dbraw/zinc/05/69/96/180056996.db2.gz JKFXVVHYAHRGNL-GOEBONIOSA-N 1 3 274.408 2.230 10 0 CEAEHO Cc1ccc2c(c1)C[C@H](CNC[C@@H]1CCC[N@H+](C)C1)O2 ZINC000090897790 180056997 /nfs/dbraw/zinc/05/69/97/180056997.db2.gz JKFXVVHYAHRGNL-GOEBONIOSA-N 1 3 274.408 2.230 10 0 CEAEHO C(C[NH+]1CCC2(CCCC2)CC1)[C@H]1CNCCO1 ZINC000091314212 180133837 /nfs/dbraw/zinc/13/38/37/180133837.db2.gz UJNKQAQTILIOLG-AWEZNQCLSA-N 1 3 252.402 2.021 10 0 CEAEHO CCC[NH2+]Cc1cnn(CCN(C)C)c1C(C)C ZINC000091338608 180136315 /nfs/dbraw/zinc/13/63/15/180136315.db2.gz ZQPDUSDFPNPTAP-UHFFFAOYSA-N 1 3 252.406 2.068 10 0 CEAEHO CCCN(CCN(C)C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360926 180141192 /nfs/dbraw/zinc/14/11/92/180141192.db2.gz FMAQKVYPRXZTFJ-JYJNAYRXSA-N 1 3 295.471 2.097 10 0 CEAEHO Cc1nc(N2CCC[C@H]([NH+](C)C)C2)sc1[C@@H](C)N ZINC000091429759 180153013 /nfs/dbraw/zinc/15/30/13/180153013.db2.gz OJSVYOYPGKJCFE-KOLCDFICSA-N 1 3 268.430 2.002 10 0 CEAEHO C[NH+](C)[C@H]1CCCN(c2nc(C(C)(C)C)c(CN)s2)C1 ZINC000091432404 180153803 /nfs/dbraw/zinc/15/38/03/180153803.db2.gz KXCATZOXKZTOGW-NSHDSACASA-N 1 3 296.484 2.430 10 0 CEAEHO CCC[C@@H]1CC[C@@H](CN)[C@H]([N@H+](C)CC2CC(O)C2)C1 ZINC000091459769 180160657 /nfs/dbraw/zinc/16/06/57/180160657.db2.gz JFESIEKAFORONL-CMTNHCDUSA-N 1 3 268.445 2.233 10 0 CEAEHO CCC[C@@H]1CC[C@@H](CN)[C@H]([N@@H+](C)CC2CC(O)C2)C1 ZINC000091459769 180160658 /nfs/dbraw/zinc/16/06/58/180160658.db2.gz JFESIEKAFORONL-CMTNHCDUSA-N 1 3 268.445 2.233 10 0 CEAEHO CC[C@](C)(C[NH2+]C(C)C)CN(C)CC1CC(O)C1 ZINC000091490539 180170004 /nfs/dbraw/zinc/17/00/04/180170004.db2.gz XOEGCWRMQIYFND-YMAMQOFZSA-N 1 3 256.434 2.103 10 0 CEAEHO C[NH+](C)[C@@H]1CCCN([C@@H]2CCc3ccccc3[C@@H]2N)C1 ZINC000091394723 180146162 /nfs/dbraw/zinc/14/61/62/180146162.db2.gz ALELVASIQRVLTF-OIISXLGYSA-N 1 3 273.424 2.027 10 0 CEAEHO CC[NH2+][C@H](C)C(C)(C)CN1CCC(COC)CC1 ZINC000091405243 180147113 /nfs/dbraw/zinc/14/71/13/180147113.db2.gz WGJRXWUHNDNAKM-CYBMUJFWSA-N 1 3 256.434 2.369 10 0 CEAEHO CC[C@@](C)(C(=O)Cc1c[nH+]ccc1N)N1CCCC1 ZINC000091602052 180203064 /nfs/dbraw/zinc/20/30/64/180203064.db2.gz SBHQDRLKHWGMHE-HNNXBMFYSA-N 1 3 261.369 2.040 10 0 CEAEHO CCC(CC)([C@H](Cc1ccnc(N)c1)[NH2+]C)N1CCCC1 ZINC000091635077 180211407 /nfs/dbraw/zinc/21/14/07/180211407.db2.gz FBFIEMZLLWOIPS-HNNXBMFYSA-N 1 3 290.455 2.449 10 0 CEAEHO CCC(CC)([C@H](Cc1ccnc(N)c1)NC)[NH+]1CCCC1 ZINC000091635077 180211409 /nfs/dbraw/zinc/21/14/09/180211409.db2.gz FBFIEMZLLWOIPS-HNNXBMFYSA-N 1 3 290.455 2.449 10 0 CEAEHO CCC[NH2+][C@H](CCN(CC)CC)Cc1cc(C)nn1C ZINC000091716901 180232879 /nfs/dbraw/zinc/23/28/79/180232879.db2.gz CSHNOXCUXWGBHD-OAHLLOKOSA-N 1 3 280.460 2.371 10 0 CEAEHO CCCN[C@H](CC[NH+](CC)CC)Cc1cc(C)nn1C ZINC000091716901 180232880 /nfs/dbraw/zinc/23/28/80/180232880.db2.gz CSHNOXCUXWGBHD-OAHLLOKOSA-N 1 3 280.460 2.371 10 0 CEAEHO N[C@H](Cc1c(F)cccc1Cl)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720472 180236657 /nfs/dbraw/zinc/23/66/57/180236657.db2.gz ZWTVDZGFWTWMPB-VCTAVGKDSA-N 1 3 298.789 2.212 10 0 CEAEHO N[C@H](Cc1c(F)cccc1Cl)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720472 180236658 /nfs/dbraw/zinc/23/66/58/180236658.db2.gz ZWTVDZGFWTWMPB-VCTAVGKDSA-N 1 3 298.789 2.212 10 0 CEAEHO CCCN([C@H](CC)C(=O)OCC)C1CCC([NH3+])CC1 ZINC000091852570 180273247 /nfs/dbraw/zinc/27/32/47/180273247.db2.gz IHOPKTWHAKSBQV-JXQTWKCFSA-N 1 3 270.417 2.310 10 0 CEAEHO CCN(CC(=O)Nc1ccccc1F)C1CCC([NH3+])CC1 ZINC000091851093 180271814 /nfs/dbraw/zinc/27/18/14/180271814.db2.gz GBSKQKMGGCZOJZ-UHFFFAOYSA-N 1 3 293.386 2.356 10 0 CEAEHO CC[C@@H]1CCCCN1C(=O)CN(C)C1CCC([NH2+]C)CC1 ZINC000091872893 180278298 /nfs/dbraw/zinc/27/82/98/180278298.db2.gz SEQQGWNKXPQERT-HWOWSKLDSA-N 1 3 295.471 2.240 10 0 CEAEHO CC[C@H]1CCC[C@@](C[NH3+])(C2(O)CCN(CC)CC2)C1 ZINC000091906322 180284080 /nfs/dbraw/zinc/28/40/80/180284080.db2.gz UZVUMUDVECCQDF-LSDHHAIUSA-N 1 3 268.445 2.379 10 0 CEAEHO CCCCC[C@](C)(CN)[N@H+](C)C1CCN(C)CC1 ZINC000106024616 186098663 /nfs/dbraw/zinc/09/86/63/186098663.db2.gz HERBGLGECPBVBR-OAHLLOKOSA-N 1 3 255.450 2.310 10 0 CEAEHO CCCCC[C@](C)(CN)[N@@H+](C)C1CCN(C)CC1 ZINC000106024616 186098664 /nfs/dbraw/zinc/09/86/64/186098664.db2.gz HERBGLGECPBVBR-OAHLLOKOSA-N 1 3 255.450 2.310 10 0 CEAEHO CC[C@H](C[NH3+])N1CCN(Cc2c(C)cc(C)cc2C)CC1 ZINC000109460184 186253490 /nfs/dbraw/zinc/25/34/90/186253490.db2.gz TUHQIQAHDMGHCS-QGZVFWFLSA-N 1 3 289.467 2.467 10 0 CEAEHO CC[NH2+][C@@H](CC)[C@@H](C)c1nc(CCN(CC)CC)no1 ZINC000110478298 186298777 /nfs/dbraw/zinc/29/87/77/186298777.db2.gz QYRNMAWZGKMQDT-OLZOCXBDSA-N 1 3 282.432 2.446 10 0 CEAEHO CCn1cc([C@@H](C)N2CCC([C@H](C)[NH3+])CC2)cn1 ZINC000110645691 186308662 /nfs/dbraw/zinc/30/86/62/186308662.db2.gz LSDHHTFNEHSMFD-NWDGAFQWSA-N 1 3 250.390 2.023 10 0 CEAEHO C[NH2+][C@H]1CCCCCC[C@H]1N1CCN(C)C(C)(C)C1 ZINC000110717188 186315542 /nfs/dbraw/zinc/31/55/42/186315542.db2.gz ZNDBSUYPCLGWFY-LSDHHAIUSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@H]1CN([C@@H]2CCCc3ccccc3[C@@H]2[NH3+])CCN1C ZINC000110715386 186315731 /nfs/dbraw/zinc/31/57/31/186315731.db2.gz YITXQXJMEQOPDG-JQHSSLGASA-N 1 3 287.451 2.417 10 0 CEAEHO CCC[NH2+][C@@H]1CCCC[C@@H]1N1CCN(C)C(C)(C)C1 ZINC000110717333 186316035 /nfs/dbraw/zinc/31/60/35/186316035.db2.gz JCRKTGOWYGNBMN-CABCVRRESA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@@H]1CN(CC[NH2+]Cc2sccc2C)CCN1C ZINC000110757490 186319865 /nfs/dbraw/zinc/31/98/65/186319865.db2.gz NRSKOZSNSPITMF-CQSZACIVSA-N 1 3 281.469 2.172 10 0 CEAEHO CC[C@H]1CN(CC[NH2+]CC2CCCCC2)CCN1C ZINC000110757386 186320396 /nfs/dbraw/zinc/32/03/96/186320396.db2.gz AEXKLMADURFCGZ-INIZCTEOSA-N 1 3 267.461 2.182 10 0 CEAEHO CN1CCN(CCC[NH2+]C2CCCCC2)CC1(C)C ZINC000110757714 186320471 /nfs/dbraw/zinc/32/04/71/186320471.db2.gz SMLAESOVBBSPEF-UHFFFAOYSA-N 1 3 267.461 2.325 10 0 CEAEHO CC(C)[NH2+]Cc1occc1CN1CCN(C)C(C)(C)C1 ZINC000110754804 186322192 /nfs/dbraw/zinc/32/21/92/186322192.db2.gz MUKFJVUSKADKIE-UHFFFAOYSA-N 1 3 279.428 2.304 10 0 CEAEHO CC[C@@H]([NH3+])[C@H](N(C)C[C@@H]1CCCOC1)C(C)(C)C ZINC000111154055 186361069 /nfs/dbraw/zinc/36/10/69/186361069.db2.gz CWNSYMLHTVKMGI-MJBXVCDLSA-N 1 3 256.434 2.497 10 0 CEAEHO CN(CCC[NH+](C)C)c1cc(Cl)ccc1CN ZINC000111129321 186355962 /nfs/dbraw/zinc/35/59/62/186355962.db2.gz KFYRVIWBPKPTMB-UHFFFAOYSA-N 1 3 255.793 2.187 10 0 CEAEHO CC[NH2+][C@@H](C)c1ccc(OC)c(CN(C)CCN(C)C)c1 ZINC000111135500 186357290 /nfs/dbraw/zinc/35/72/90/186357290.db2.gz KXLHFLZXJBXAQR-AWEZNQCLSA-N 1 3 293.455 2.359 10 0 CEAEHO CCC[NH2+]C[C@](C)(CN(C)CCN(C)C)c1ccccc1 ZINC000111147334 186358279 /nfs/dbraw/zinc/35/82/79/186358279.db2.gz YTVGGYSCEAXBEQ-GOSISDBHSA-N 1 3 291.483 2.437 10 0 CEAEHO CN(C)CCN(C)C[C@](C)(C[NH2+]C1CC1)c1ccccc1 ZINC000111146643 186358928 /nfs/dbraw/zinc/35/89/28/186358928.db2.gz SOKKLTBRSVSPLT-SFHVURJKSA-N 1 3 289.467 2.190 10 0 CEAEHO CN(CCC[NH+](C)C)CC[C@@H](N)c1ccccc1F ZINC000111147675 186359496 /nfs/dbraw/zinc/35/94/96/186359496.db2.gz HESWQURMFZZDFT-OAHLLOKOSA-N 1 3 267.392 2.099 10 0 CEAEHO CCC[NH2+]Cc1ccc(CN(C)CCN(C)C)cc1 ZINC000111149947 186360206 /nfs/dbraw/zinc/36/02/06/186360206.db2.gz BNJIALYPGALJQN-UHFFFAOYSA-N 1 3 263.429 2.180 10 0 CEAEHO CC(C)C[NH2+]CC[C@@H](C)N(C)C[C@@H]1CCCOC1 ZINC000111175084 186365681 /nfs/dbraw/zinc/36/56/81/186365681.db2.gz ZLOWDTHXLCDEMW-CABCVRRESA-N 1 3 256.434 2.369 10 0 CEAEHO CC[NH2+]C[C@@]1(CN2CCC(C)CC2)CCCOC1 ZINC000111323612 186397598 /nfs/dbraw/zinc/39/75/98/186397598.db2.gz TVPZCTZWXPTXPG-OAHLLOKOSA-N 1 3 254.418 2.125 10 0 CEAEHO CCNC[C@@]1(C[NH+]2CCC(C)CC2)CCCOC1 ZINC000111323612 186397599 /nfs/dbraw/zinc/39/75/99/186397599.db2.gz TVPZCTZWXPTXPG-OAHLLOKOSA-N 1 3 254.418 2.125 10 0 CEAEHO CNC[C@@]1(C[N@H+](CC(C)C)C2CC2)CCCOC1 ZINC000111326871 186398143 /nfs/dbraw/zinc/39/81/43/186398143.db2.gz SUSQIBFDBYMLGB-OAHLLOKOSA-N 1 3 254.418 2.123 10 0 CEAEHO CNC[C@@]1(C[N@@H+](CC(C)C)C2CC2)CCCOC1 ZINC000111326871 186398145 /nfs/dbraw/zinc/39/81/45/186398145.db2.gz SUSQIBFDBYMLGB-OAHLLOKOSA-N 1 3 254.418 2.123 10 0 CEAEHO C[NH2+]C[C@@]1(CN(CC(C)C)C2CC2)CCCOC1 ZINC000111326871 186398147 /nfs/dbraw/zinc/39/81/47/186398147.db2.gz SUSQIBFDBYMLGB-OAHLLOKOSA-N 1 3 254.418 2.123 10 0 CEAEHO CC(C)[NH2+]C[C@]1(CN(C)C[C@@H]2CCCOC2)CCCOC1 ZINC000111329911 186399885 /nfs/dbraw/zinc/39/98/85/186399885.db2.gz VHVFCAOXUMSHQK-IRXDYDNUSA-N 1 3 298.471 2.140 10 0 CEAEHO CCN(CC)Cc1ccccc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111266852 186383169 /nfs/dbraw/zinc/38/31/69/186383169.db2.gz RUCCXQQZFGYBTP-UKRRQHHQSA-N 1 3 289.423 2.322 10 0 CEAEHO CO[C@@H]1CN(CCC2CCCCC2)[C@](C)(C[NH3+])C1 ZINC000630359950 351711330 /nfs/dbraw/zinc/71/13/30/351711330.db2.gz NVZOZTPOCDHLIC-GJZGRUSLSA-N 1 3 254.418 2.395 10 0 CEAEHO CC[NH2+]Cc1cccc(NC(=O)[C@H](N)[C@@H](C)CC)c1 ZINC000123913553 187114423 /nfs/dbraw/zinc/11/44/23/187114423.db2.gz VUUPOFCEMMWBLS-SMDDNHRTSA-N 1 3 263.385 2.108 10 0 CEAEHO C[N@@H+]1CC[C@@]2(CCN(C[C@H]3CCCC3(F)F)C2)C1 ZINC000336268359 283107099 /nfs/dbraw/zinc/10/70/99/283107099.db2.gz AWSUADWUYANQIP-CHWSQXEVSA-N 1 3 258.356 2.449 10 0 CEAEHO C[N@H+]1CC[C@@]2(CCN(C[C@H]3CCCC3(F)F)C2)C1 ZINC000336268359 283107101 /nfs/dbraw/zinc/10/71/01/283107101.db2.gz AWSUADWUYANQIP-CHWSQXEVSA-N 1 3 258.356 2.449 10 0 CEAEHO NC[C@H](NC(=O)C1([NH3+])CCCC1)c1ccc2ccccc2c1 ZINC000262786415 540201566 /nfs/dbraw/zinc/20/15/66/540201566.db2.gz MSSMGFUYWHVQHV-INIZCTEOSA-N 1 3 297.402 2.227 10 0 CEAEHO CN(C)C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000222903575 540524043 /nfs/dbraw/zinc/52/40/43/540524043.db2.gz MDNJWIBKNIPSJV-OAGGEKHMSA-N 1 3 261.413 2.149 10 0 CEAEHO Cc1nccn1C[C@@H]1CCCN1CC[NH+]1CCC(C)CC1 ZINC000154145977 366759437 /nfs/dbraw/zinc/75/94/37/366759437.db2.gz XEOZZTMSSDNCCC-KRWDZBQOSA-N 1 3 290.455 2.388 10 0 CEAEHO COc1ccccc1CCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000583982023 367123506 /nfs/dbraw/zinc/12/35/06/367123506.db2.gz FKLJIOJJRCMTTP-HIFRSBDPSA-N 1 3 262.397 2.215 10 0 CEAEHO COc1ccccc1CC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000583982023 367123514 /nfs/dbraw/zinc/12/35/14/367123514.db2.gz FKLJIOJJRCMTTP-HIFRSBDPSA-N 1 3 262.397 2.215 10 0 CEAEHO C[C@@H]1CN(CCOc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000631843128 367586270 /nfs/dbraw/zinc/58/62/70/367586270.db2.gz JNZPMSNPASYRFN-NEPJUHHUSA-N 1 3 268.788 2.245 10 0 CEAEHO CCC[C@](C)([NH3+])C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000262590666 284006654 /nfs/dbraw/zinc/00/66/54/284006654.db2.gz UTLACDMGIJSFLR-UXLLHSPISA-N 1 3 289.423 2.066 10 0 CEAEHO C[C@@H]1C[N@H+](C[C@@H]2CCOc3ccccc32)C[C@@H]1CN ZINC000634999256 369033153 /nfs/dbraw/zinc/03/31/53/369033153.db2.gz RQPYQCZKHKDVIZ-RDBSUJKOSA-N 1 3 260.381 2.079 10 0 CEAEHO C[C@@H]1C[N@@H+](C[C@@H]2CCOc3ccccc32)C[C@@H]1CN ZINC000634999256 369033160 /nfs/dbraw/zinc/03/31/60/369033160.db2.gz RQPYQCZKHKDVIZ-RDBSUJKOSA-N 1 3 260.381 2.079 10 0 CEAEHO C[C@@H]1CN(C[C@@H]2CCOc3ccccc32)C[C@@H]1C[NH3+] ZINC000634999256 369033165 /nfs/dbraw/zinc/03/31/65/369033165.db2.gz RQPYQCZKHKDVIZ-RDBSUJKOSA-N 1 3 260.381 2.079 10 0 CEAEHO CN(CCC(=O)Nc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000231668374 370485585 /nfs/dbraw/zinc/48/55/85/370485585.db2.gz SUXJFKBLJKIOHZ-HNNXBMFYSA-N 1 3 275.396 2.089 10 0 CEAEHO CCOc1cccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261581494 371660842 /nfs/dbraw/zinc/66/08/42/371660842.db2.gz GESGXVNZQWBSCS-NUEKZKHPSA-N 1 3 260.381 2.254 10 0 CEAEHO CCC[C@](C)([NH3+])C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000262590665 190057768 /nfs/dbraw/zinc/05/77/68/190057768.db2.gz UTLACDMGIJSFLR-INMHGKMJSA-N 1 3 289.423 2.066 10 0 CEAEHO C[C@H](NCCSCC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000564825540 377466474 /nfs/dbraw/zinc/46/64/74/377466474.db2.gz OQVWLLBBINBHIF-UWVGGRQHSA-N 1 3 270.364 2.260 10 0 CEAEHO C[C@H]([NH2+]CCSCC(F)(F)F)[C@H]1CCCNC1 ZINC000564825540 377466485 /nfs/dbraw/zinc/46/64/85/377466485.db2.gz OQVWLLBBINBHIF-UWVGGRQHSA-N 1 3 270.364 2.260 10 0 CEAEHO O[C@H]1CCCC[C@H]1[NH+]1CCC(N2CCCCC2)CC1 ZINC000040694317 285362892 /nfs/dbraw/zinc/36/28/92/285362892.db2.gz YKKZNQFUGPKJAF-CVEARBPZSA-N 1 3 266.429 2.240 10 0 CEAEHO C[C@@H](NCCCn1cnc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400462895 533391694 /nfs/dbraw/zinc/39/16/94/533391694.db2.gz VCEQYFSFHCRQLA-KGLIPLIRSA-N 1 3 272.396 2.014 10 0 CEAEHO C[C@@H](NCCc1cc(F)cc(F)c1)[C@@H]1CC[NH2+]C1 ZINC000400409610 533403849 /nfs/dbraw/zinc/40/38/49/533403849.db2.gz STJIYMIWMMTOAC-ZYHUDNBSSA-N 1 3 254.324 2.095 10 0 CEAEHO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCCNCC1 ZINC000129098611 533661447 /nfs/dbraw/zinc/66/14/47/533661447.db2.gz IWCPYTCGGOWOOG-DZGCQCFKSA-N 1 3 262.397 2.445 10 0 CEAEHO FC(F)(F)[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCNC2)C1 ZINC000422858265 394833997 /nfs/dbraw/zinc/83/39/97/394833997.db2.gz ZNOIOJKFBQDDAT-MXWKQRLJSA-N 1 3 250.308 2.307 10 0 CEAEHO CCC(O)(CC)C[NH+]1CCC(N2CCCCC2)CC1 ZINC000165454471 162344514 /nfs/dbraw/zinc/34/45/14/162344514.db2.gz YPOBVIYOZIAGNA-UHFFFAOYSA-N 1 3 268.445 2.488 10 0 CEAEHO C[C@@H]([NH3+])Cc1ccc(OCCN2CCCCC2)cc1 ZINC000006852887 170249204 /nfs/dbraw/zinc/24/92/04/170249204.db2.gz VSXMCXMPHABKPM-CQSZACIVSA-N 1 3 262.397 2.441 10 0 CEAEHO COc1ccc(C[C@@H](CN)C[NH+]2CCCCC2)cc1 ZINC000011800283 170441726 /nfs/dbraw/zinc/44/17/26/170441726.db2.gz YAPHVZMIOSZYKC-HNNXBMFYSA-N 1 3 262.397 2.299 10 0 CEAEHO COc1ccc(C[C@@H](C[NH3+])CN2CCCCC2)cc1 ZINC000011800283 170441728 /nfs/dbraw/zinc/44/17/28/170441728.db2.gz YAPHVZMIOSZYKC-HNNXBMFYSA-N 1 3 262.397 2.299 10 0 CEAEHO CCCN1CCN([C@@H](C[NH3+])c2cccc(C)c2)CC1 ZINC000020179461 171044503 /nfs/dbraw/zinc/04/45/03/171044503.db2.gz IPHLYMUDQOOKQT-INIZCTEOSA-N 1 3 261.413 2.022 10 0 CEAEHO CCCN1CCC(CN)([N@H+](C)C[C@@H](C)CC)CC1 ZINC000037172710 173006835 /nfs/dbraw/zinc/00/68/35/173006835.db2.gz MXLKYUPPEDCIFX-AWEZNQCLSA-N 1 3 255.450 2.168 10 0 CEAEHO CCCN1CCC(CN)([N@@H+](C)C[C@@H](C)CC)CC1 ZINC000037172710 173006837 /nfs/dbraw/zinc/00/68/37/173006837.db2.gz MXLKYUPPEDCIFX-AWEZNQCLSA-N 1 3 255.450 2.168 10 0 CEAEHO CC(C)CN(CCN(C)C)C[C@@H]([NH3+])Cc1ccccc1 ZINC000042781899 174877621 /nfs/dbraw/zinc/87/76/21/174877621.db2.gz ZRLXNNCJJOMHFY-KRWDZBQOSA-N 1 3 277.456 2.076 10 0 CEAEHO C[NH2+][C@H](CN1CCCN(C)CC1)c1cc(C)ccc1C ZINC000043818158 175113243 /nfs/dbraw/zinc/11/32/43/175113243.db2.gz CRRRPZJBOMSRQT-QGZVFWFLSA-N 1 3 275.440 2.201 10 0 CEAEHO CC[NH2+][C@H]1c2ccccc2CC[C@H]1N1CCCN(C)CC1 ZINC000043818467 175113328 /nfs/dbraw/zinc/11/33/28/175113328.db2.gz AVGZFMWQRXJICZ-MSOLQXFVSA-N 1 3 287.451 2.290 10 0 CEAEHO C[NH2+][C@H]1CCCCC[C@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965461 175126606 /nfs/dbraw/zinc/12/66/06/175126606.db2.gz GZMQWUMCLDWLJS-LSDHHAIUSA-N 1 3 267.461 2.323 10 0 CEAEHO C[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CCN(CC2CC2)CC1 ZINC000043967833 175128993 /nfs/dbraw/zinc/12/89/93/175128993.db2.gz RZNONTLIXXDCGW-CRAIPNDOSA-N 1 3 287.451 2.363 10 0 CEAEHO C[NH2+][C@@H](C)c1cccc(NC(=O)NC[C@@H](C)N(C)C)c1 ZINC000045113987 175311069 /nfs/dbraw/zinc/31/10/69/175311069.db2.gz VMBXJTDAXSXPQT-NEPJUHHUSA-N 1 3 278.400 2.039 10 0 CEAEHO CO[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000665283062 415673745 /nfs/dbraw/zinc/67/37/45/415673745.db2.gz HAXBHGLRRXPVIA-NWANDNLSSA-N 1 3 254.418 2.169 10 0 CEAEHO CC[NH+](CC)CCC[C@@H](C)N1CCC[C@@H](NC2CC2)C1=O ZINC000071038107 176026680 /nfs/dbraw/zinc/02/66/80/176026680.db2.gz ATOKZROJTGIASE-GDBMZVCRSA-N 1 3 295.471 2.240 10 0 CEAEHO CC[C@H]1CCC[C@](C[NH3+])(N(CCCOC)CCOC)C1 ZINC000071124069 176034870 /nfs/dbraw/zinc/03/48/70/176034870.db2.gz TUXQLLNNEBOSBD-HOTGVXAUSA-N 1 3 286.460 2.269 10 0 CEAEHO CN(CCN1CC[NH2+]CC1)[C@H]1CCSc2ccccc21 ZINC000071148851 176044643 /nfs/dbraw/zinc/04/46/43/176044643.db2.gz MQQCAYDWXUNTFF-HNNXBMFYSA-N 1 3 291.464 2.061 10 0 CEAEHO CC[C@@H](C)N1CCN(CCCCCC[NH2+]C)CC1 ZINC000071289792 176110576 /nfs/dbraw/zinc/11/05/76/176110576.db2.gz JBERNBRDPODAHH-OAHLLOKOSA-N 1 3 255.450 2.182 10 0 CEAEHO CC[C@H]1C[N@H+](CCn2ccnc2C)[C@H](C(C)(C)C)CN1 ZINC000071344285 176131204 /nfs/dbraw/zinc/13/12/04/176131204.db2.gz TYAUNAHFLSNKOT-GJZGRUSLSA-N 1 3 278.444 2.290 10 0 CEAEHO CC[C@H]1C[N@@H+](CCn2ccnc2C)[C@H](C(C)(C)C)CN1 ZINC000071344285 176131206 /nfs/dbraw/zinc/13/12/06/176131206.db2.gz TYAUNAHFLSNKOT-GJZGRUSLSA-N 1 3 278.444 2.290 10 0 CEAEHO CCC[C@H]1CN[C@@](C)(CC)C[N@@H+]1CCn1ccnc1C ZINC000071356831 176136826 /nfs/dbraw/zinc/13/68/26/176136826.db2.gz XFWLTABULOIXDE-HOTGVXAUSA-N 1 3 278.444 2.434 10 0 CEAEHO CCC[C@H]1CN[C@@](C)(CC)C[N@H+]1CCn1ccnc1C ZINC000071356831 176136828 /nfs/dbraw/zinc/13/68/28/176136828.db2.gz XFWLTABULOIXDE-HOTGVXAUSA-N 1 3 278.444 2.434 10 0 CEAEHO CC(C)[C@H](CC[NH3+])CCC(=O)NCCN1CCCCCC1 ZINC000079277745 177461635 /nfs/dbraw/zinc/46/16/35/177461635.db2.gz MOSNEDKOEPFGHE-INIZCTEOSA-N 1 3 297.487 2.380 10 0 CEAEHO C[C@@H](CCOCc1ccccc1)[NH2+]C1CCNCC1 ZINC000389957631 321892981 /nfs/dbraw/zinc/89/29/81/321892981.db2.gz XTAWFISKWCFGGY-AWEZNQCLSA-N 1 3 262.397 2.323 10 0 CEAEHO CC(C)N(Cc1cccs1)C[C@H]1CC[C@H](C[NH3+])O1 ZINC000052544997 519661633 /nfs/dbraw/zinc/66/16/33/519661633.db2.gz MWRVKJJBSZLFPQ-CHWSQXEVSA-N 1 3 268.426 2.465 10 0 CEAEHO CC(C)[C@H](C[NH3+])O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000061702299 519815076 /nfs/dbraw/zinc/81/50/76/519815076.db2.gz FLLBEYRJSHPHCG-CVEARBPZSA-N 1 3 262.397 2.261 10 0 CEAEHO CCCc1nc(N2CCC(C[NH+](C)C)CC2)sc1CN ZINC000054999442 521530832 /nfs/dbraw/zinc/53/08/32/521530832.db2.gz RLLHKXAZQFCXJU-UHFFFAOYSA-N 1 3 296.484 2.332 10 0 CEAEHO CCCN(CCN(C)C)[C@H](CC[NH3+])c1ccccc1 ZINC000055017547 521657824 /nfs/dbraw/zinc/65/78/24/521657824.db2.gz GLTUREWCTXIVFX-MRXNPFEDSA-N 1 3 263.429 2.350 10 0 CEAEHO CCCN(CCN(C)C)[C@@H](CC)C[NH2+]CC(C)C ZINC000052544141 521657509 /nfs/dbraw/zinc/65/75/09/521657509.db2.gz FCAOWMALJDJQQB-HNNXBMFYSA-N 1 3 257.466 2.284 10 0 CEAEHO CC(C)N(CCN1CCC[NH2+]CC1)Cc1cccs1 ZINC000061275384 519646458 /nfs/dbraw/zinc/64/64/58/519646458.db2.gz HHXRLKBFSDCFHU-UHFFFAOYSA-N 1 3 281.469 2.254 10 0 CEAEHO CC(C)N1CCN([C@H](CC[NH3+])c2ccccc2)CC1 ZINC000055016006 519683523 /nfs/dbraw/zinc/68/35/23/519683523.db2.gz VOUGVOLWVRNMAK-MRXNPFEDSA-N 1 3 261.413 2.103 10 0 CEAEHO CC(C)CN1CCN([C@@]2(C[NH3+])CCCC[C@H]2C)CC1 ZINC000055078467 519727898 /nfs/dbraw/zinc/72/78/98/519727898.db2.gz ILAQWEGIFDCBLW-HZPDHXFCSA-N 1 3 267.461 2.168 10 0 CEAEHO CC(C)C[NH2+]C[C@@H](C)CN1CCN(CC(C)C)CC1 ZINC000055083053 519744617 /nfs/dbraw/zinc/74/46/17/519744617.db2.gz RMXQLIFDPXXIGF-MRXNPFEDSA-N 1 3 269.477 2.142 10 0 CEAEHO CC(C)CNCc1ccc(COCCC[NH+](C)C)o1 ZINC000052672369 519747239 /nfs/dbraw/zinc/74/72/39/519747239.db2.gz NYLXAFZKXKLBGM-UHFFFAOYSA-N 1 3 268.401 2.494 10 0 CEAEHO CC(C)CNCc1cn(CC[N@H+](C)[C@H](C)C(C)(C)C)nn1 ZINC000052504455 519748128 /nfs/dbraw/zinc/74/81/28/519748128.db2.gz RJYSGQMSPVSKTL-CQSZACIVSA-N 1 3 295.475 2.390 10 0 CEAEHO CC(C)CNCc1cn(CC[N@@H+](C)[C@H](C)C(C)(C)C)nn1 ZINC000052504455 519748129 /nfs/dbraw/zinc/74/81/29/519748129.db2.gz RJYSGQMSPVSKTL-CQSZACIVSA-N 1 3 295.475 2.390 10 0 CEAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCC(O)CC1 ZINC000054626681 519907236 /nfs/dbraw/zinc/90/72/36/519907236.db2.gz GURBGKBIRNILDA-OZEOOWDWSA-N 1 3 266.429 2.285 10 0 CEAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCC(O)CC1 ZINC000054626681 519907240 /nfs/dbraw/zinc/90/72/40/519907240.db2.gz GURBGKBIRNILDA-OZEOOWDWSA-N 1 3 266.429 2.285 10 0 CEAEHO CC[NH2+]C[C@@H](C)C(=O)Nc1ccccc1CN1CCCC1 ZINC000061233909 519943020 /nfs/dbraw/zinc/94/30/20/519943020.db2.gz REUVZTPYYCVFLD-CQSZACIVSA-N 1 3 289.423 2.467 10 0 CEAEHO CC[NH2+]Cc1ccccc1CN(CCOC)[C@H](C)COC ZINC000052572450 520006059 /nfs/dbraw/zinc/00/60/59/520006059.db2.gz ZNPMMXQMRJEMFJ-OAHLLOKOSA-N 1 3 294.439 2.279 10 0 CEAEHO CCC[NH2+][C@@H](CN1CCN([C@@H](C)CC)CC1)C1CC1 ZINC000069075023 520008686 /nfs/dbraw/zinc/00/86/86/520008686.db2.gz OAQLYSLJHJSICI-HOCLYGCPSA-N 1 3 267.461 2.181 10 0 CEAEHO CCC[NH2+][C@@H]1CCCC[C@@H]1N1CCC[C@@H]1CN(C)C ZINC000061643760 520019322 /nfs/dbraw/zinc/01/93/22/520019322.db2.gz CUUCVROYUXTJIQ-OAGGEKHMSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[NH2+][C@@H](C)CCCCN1CCN(CC(C)C)CC1 ZINC000055078729 520073236 /nfs/dbraw/zinc/07/32/36/520073236.db2.gz VGSRFCZZOLWRCW-INIZCTEOSA-N 1 3 269.477 2.428 10 0 CEAEHO CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1CN1CCC[C@@H]1CO ZINC000054560322 520218248 /nfs/dbraw/zinc/21/82/48/520218248.db2.gz LYLZDKCRXVEJHH-VQHPVUNQSA-N 1 3 282.472 2.494 10 0 CEAEHO CC[N@H+](CC1(CNC)CCOCC1)C1CCCC1 ZINC000052181641 520937480 /nfs/dbraw/zinc/93/74/80/520937480.db2.gz NHRMMRGAQYKXRH-UHFFFAOYSA-N 1 3 254.418 2.267 10 0 CEAEHO CC[N@@H+](CC1(CNC)CCOCC1)C1CCCC1 ZINC000052181641 520937489 /nfs/dbraw/zinc/93/74/89/520937489.db2.gz NHRMMRGAQYKXRH-UHFFFAOYSA-N 1 3 254.418 2.267 10 0 CEAEHO CCN(CCOC)Cc1oc2ccccc2c1C[NH3+] ZINC000052542734 521138109 /nfs/dbraw/zinc/13/81/09/521138109.db2.gz STAROPONQZMFDU-UHFFFAOYSA-N 1 3 262.353 2.360 10 0 CEAEHO CCC[C@H]1C[N@H+](CCn2ccnc2C)[C@H](C(C)C)CN1 ZINC000068700700 521221389 /nfs/dbraw/zinc/22/13/89/521221389.db2.gz VLNLJEFRFIANQM-HOTGVXAUSA-N 1 3 278.444 2.290 10 0 CEAEHO CCC[C@H]1C[N@@H+](CCn2ccnc2C)[C@H](C(C)C)CN1 ZINC000068700700 521221397 /nfs/dbraw/zinc/22/13/97/521221397.db2.gz VLNLJEFRFIANQM-HOTGVXAUSA-N 1 3 278.444 2.290 10 0 CEAEHO CCC(C)(C)N(C)CC(=O)Nc1ccccc1C[NH3+] ZINC000069429237 521301787 /nfs/dbraw/zinc/30/17/87/521301787.db2.gz PHDVEKVDIWLAJS-UHFFFAOYSA-N 1 3 263.385 2.204 10 0 CEAEHO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1CCC[C@@H]1OC ZINC000054602259 521956917 /nfs/dbraw/zinc/95/69/17/521956917.db2.gz OBWMBZXNQFDTOZ-ZKXZWOTCSA-N 1 3 252.402 2.159 10 0 CEAEHO CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1CCC[C@@H]1OC ZINC000054602259 521956927 /nfs/dbraw/zinc/95/69/27/521956927.db2.gz OBWMBZXNQFDTOZ-ZKXZWOTCSA-N 1 3 252.402 2.159 10 0 CEAEHO CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1CCC[C@@H]1OC ZINC000054602259 521956931 /nfs/dbraw/zinc/95/69/31/521956931.db2.gz OBWMBZXNQFDTOZ-ZKXZWOTCSA-N 1 3 252.402 2.159 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@@H]([NH3+])c2ccc(OC)cc2)CC1 ZINC000055065443 522120182 /nfs/dbraw/zinc/12/01/82/522120182.db2.gz LNNXBKFBPUPNQC-RHSMWYFYSA-N 1 3 291.439 2.111 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@H](C[NH3+])c2ccccc2)CC1 ZINC000055064213 522123353 /nfs/dbraw/zinc/12/33/53/522123353.db2.gz ZAZYEUXTXAIAIS-WBVHZDCISA-N 1 3 275.440 2.145 10 0 CEAEHO C[NH2+]Cc1cccc(CN(C)C[C@@H]2CCCCO2)c1 ZINC000052507227 522126887 /nfs/dbraw/zinc/12/68/87/522126887.db2.gz WKRBVUOKGQRQGR-INIZCTEOSA-N 1 3 262.397 2.407 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@](C)(C[NH3+])CC(C)C)CC1 ZINC000055064760 522131044 /nfs/dbraw/zinc/13/10/44/522131044.db2.gz WFXUYHUJRKCECB-HUUCEWRRSA-N 1 3 255.450 2.166 10 0 CEAEHO CC[C@@H](C)N1CCN(c2ccc(F)cc2C[NH3+])CC1 ZINC000055068748 522133420 /nfs/dbraw/zinc/13/34/20/522133420.db2.gz VNJSRUNEFPLWTC-GFCCVEGCSA-N 1 3 265.376 2.205 10 0 CEAEHO CNCc1ccccc1OCC[N@H+](C)[C@@H]1CCSC1 ZINC000052453324 522140099 /nfs/dbraw/zinc/14/00/99/522140099.db2.gz IQSVBLMHXFWIBC-CQSZACIVSA-N 1 3 280.437 2.222 10 0 CEAEHO CNCc1ccccc1OCC[N@@H+](C)[C@@H]1CCSC1 ZINC000052453324 522140107 /nfs/dbraw/zinc/14/01/07/522140107.db2.gz IQSVBLMHXFWIBC-CQSZACIVSA-N 1 3 280.437 2.222 10 0 CEAEHO C[NH2+][C@@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1 ZINC000053201490 522384296 /nfs/dbraw/zinc/38/42/96/522384296.db2.gz KZRFILDUPWDOKS-QGZVFWFLSA-N 1 3 287.451 2.335 10 0 CEAEHO C[NH2+][C@H](C)CCCCN1CCN(CC(C)C)CC1 ZINC000055078723 522439675 /nfs/dbraw/zinc/43/96/75/522439675.db2.gz ZBELGQANMGNGEB-OAHLLOKOSA-N 1 3 255.450 2.038 10 0 CEAEHO CC[C@@H](C[NH2+]C(C)(C)C)N1CCN(CC(C)C)CC1 ZINC000055083012 522543431 /nfs/dbraw/zinc/54/34/31/522543431.db2.gz UBBCHSDKWOTZSL-HNNXBMFYSA-N 1 3 269.477 2.427 10 0 CEAEHO COCC1CCN(Cc2ccc(C[NH3+])cc2F)CC1 ZINC000070080299 522936529 /nfs/dbraw/zinc/93/65/29/522936529.db2.gz IWQDNFOELGXUND-UHFFFAOYSA-N 1 3 266.360 2.143 10 0 CEAEHO CC[C@H](C)N(CCOC)Cc1cc(C[NH2+]C)co1 ZINC000052547370 523939067 /nfs/dbraw/zinc/93/90/67/523939067.db2.gz NFIZADYZNAGLOQ-LBPRGKRZSA-N 1 3 254.374 2.246 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000055065480 523954113 /nfs/dbraw/zinc/95/41/13/523954113.db2.gz BVCRINMZTUCKAD-DOTOQJQBSA-N 1 3 275.440 2.411 10 0 CEAEHO C[NH+](C)C1CCN(c2ccc(Cl)cc2CN)CC1 ZINC000052856882 524040861 /nfs/dbraw/zinc/04/08/61/524040861.db2.gz GZXUBXCNYWKPIG-UHFFFAOYSA-N 1 3 267.804 2.329 10 0 CEAEHO CCc1ccc([C@H](C[NH3+])N2CCN(CC(C)C)CC2)o1 ZINC000055077941 524048252 /nfs/dbraw/zinc/04/82/52/524048252.db2.gz YMJNQMFJTQQUQS-HNNXBMFYSA-N 1 3 279.428 2.115 10 0 CEAEHO C[C@H](C[NH3+])CN1CCCN(Cc2ccc(F)cc2F)CC1 ZINC000050872135 524307103 /nfs/dbraw/zinc/30/71/03/524307103.db2.gz ZTKGHFVXDLJZSF-CYBMUJFWSA-N 1 3 297.393 2.067 10 0 CEAEHO C[C@H]1C[C@H]1c1ccc([C@@H](CN)N2CCC[C@@H]2C[NH+](C)C)o1 ZINC000061642904 524972658 /nfs/dbraw/zinc/97/26/58/524972658.db2.gz UENQWNDZJXQMDN-GBJTYRQASA-N 1 3 291.439 2.429 10 0 CEAEHO Cc1ccccc1[C@H]([NH3+])CN1CCN(CC(C)C)CC1 ZINC000055078988 525424115 /nfs/dbraw/zinc/42/41/15/525424115.db2.gz JFQGTSPGYONFDX-QGZVFWFLSA-N 1 3 275.440 2.268 10 0 CEAEHO Cc1cc([C@@H](C[NH3+])N2CCN(C(C)C)CC2)ccc1F ZINC000050546102 525481148 /nfs/dbraw/zinc/48/11/48/525481148.db2.gz GIQRYPCPOLPIPI-MRXNPFEDSA-N 1 3 279.403 2.160 10 0 CEAEHO Fc1ccc(N2CCN(CCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000052764229 526352043 /nfs/dbraw/zinc/35/20/43/526352043.db2.gz FMUXOWRVNJKCAB-MRXNPFEDSA-N 1 3 291.414 2.480 10 0 CEAEHO [NH3+]C1CCC(CCC(=O)NCCN2CCCCCC2)CC1 ZINC000055136264 527139466 /nfs/dbraw/zinc/13/94/66/527139466.db2.gz IOIBZIWBCIXCSR-UHFFFAOYSA-N 1 3 295.471 2.276 10 0 CEAEHO NCC[C@H](c1ccccc1)[N@H+](CCO)C1CCCC1 ZINC000055017140 527193440 /nfs/dbraw/zinc/19/34/40/527193440.db2.gz ZOZYLIRFJRTZGL-MRXNPFEDSA-N 1 3 262.397 2.313 10 0 CEAEHO NCC[C@H](c1ccccc1)[N@@H+](CCO)C1CCCC1 ZINC000055017140 527193441 /nfs/dbraw/zinc/19/34/41/527193441.db2.gz ZOZYLIRFJRTZGL-MRXNPFEDSA-N 1 3 262.397 2.313 10 0 CEAEHO [NH3+]CC[C@H](c1ccccc1)N(CCO)C1CCCC1 ZINC000055017140 527193442 /nfs/dbraw/zinc/19/34/42/527193442.db2.gz ZOZYLIRFJRTZGL-MRXNPFEDSA-N 1 3 262.397 2.313 10 0 CEAEHO CCNCc1cc(F)ccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091391859 535478523 /nfs/dbraw/zinc/47/85/23/535478523.db2.gz FAWDLNPZYICOAS-HNNXBMFYSA-N 1 3 279.403 2.466 10 0 CEAEHO CCN1CCC[C@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000071401027 343800717 /nfs/dbraw/zinc/80/07/17/343800717.db2.gz CKKXSOFANOKPTB-HOTGVXAUSA-N 1 3 289.423 2.067 10 0 CEAEHO C[C@H](O)C[C@@H]1CCCCN1CCC[NH+]1CCCC1 ZINC000123820895 290130445 /nfs/dbraw/zinc/13/04/45/290130445.db2.gz SMBYAGABOUNUMB-GJZGRUSLSA-N 1 3 254.418 2.098 10 0 CEAEHO CN(C)Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085364041 179035546 /nfs/dbraw/zinc/03/55/46/179035546.db2.gz XFTRLNGOADSYGF-HUUCEWRRSA-N 1 3 275.396 2.204 10 0 CEAEHO CC[C@H]1CNC(CC)(CC)C[N@@H+]1CCn1ccnc1C ZINC000085517305 179087767 /nfs/dbraw/zinc/08/77/67/179087767.db2.gz YZVFKGHREXHDTN-HNNXBMFYSA-N 1 3 278.444 2.434 10 0 CEAEHO CC[C@H]1CNC(CC)(CC)C[N@H+]1CCn1ccnc1C ZINC000085517305 179087772 /nfs/dbraw/zinc/08/77/72/179087772.db2.gz YZVFKGHREXHDTN-HNNXBMFYSA-N 1 3 278.444 2.434 10 0 CEAEHO Cc1nccn1CCN1CCC[NH2+]C2(CCCCC2)C1 ZINC000085610442 179100888 /nfs/dbraw/zinc/10/08/88/179100888.db2.gz UBUCLCJZEGDJSF-UHFFFAOYSA-N 1 3 276.428 2.190 10 0 CEAEHO Cc1nccn1CC[N@@H+]1CCCNC2(CCCCC2)C1 ZINC000085610442 179100891 /nfs/dbraw/zinc/10/08/91/179100891.db2.gz UBUCLCJZEGDJSF-UHFFFAOYSA-N 1 3 276.428 2.190 10 0 CEAEHO Cc1nccn1CC[N@H+]1CCCNC2(CCCCC2)C1 ZINC000085610442 179100892 /nfs/dbraw/zinc/10/08/92/179100892.db2.gz UBUCLCJZEGDJSF-UHFFFAOYSA-N 1 3 276.428 2.190 10 0 CEAEHO C[C@@]1(C2CC2)C[N@H+](C[C@@H]2CCCCO2)CCCN1 ZINC000085613135 179102356 /nfs/dbraw/zinc/10/23/56/179102356.db2.gz OTZUDEVHLRTAPW-GJZGRUSLSA-N 1 3 252.402 2.020 10 0 CEAEHO C[C@@]1(C2CC2)C[N@@H+](C[C@@H]2CCCCO2)CCCN1 ZINC000085613135 179102358 /nfs/dbraw/zinc/10/23/58/179102358.db2.gz OTZUDEVHLRTAPW-GJZGRUSLSA-N 1 3 252.402 2.020 10 0 CEAEHO CC[C@@H](C)[C@H]1C[N@H+]([C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086172105 179244954 /nfs/dbraw/zinc/24/49/54/179244954.db2.gz RURXMBMRKLYMAR-VQHPVUNQSA-N 1 3 281.488 2.425 10 0 CEAEHO CC[C@@H](C)[C@H]1C[N@@H+]([C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086172105 179244956 /nfs/dbraw/zinc/24/49/56/179244956.db2.gz RURXMBMRKLYMAR-VQHPVUNQSA-N 1 3 281.488 2.425 10 0 CEAEHO CC[C@@H](C)[C@H]1CN([C@@H]2CCCN(C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086172105 179244957 /nfs/dbraw/zinc/24/49/57/179244957.db2.gz RURXMBMRKLYMAR-VQHPVUNQSA-N 1 3 281.488 2.425 10 0 CEAEHO CC(C)[C@@H]1CNC(C)(C)C[N@@H+]1C[C@@H]1CCCCN1C ZINC000086259327 179257812 /nfs/dbraw/zinc/25/78/12/179257812.db2.gz LYEBKUSILAMSFB-GJZGRUSLSA-N 1 3 267.461 2.179 10 0 CEAEHO CC(C)[C@@H]1CNC(C)(C)C[N@H+]1C[C@@H]1CCCCN1C ZINC000086259327 179257813 /nfs/dbraw/zinc/25/78/13/179257813.db2.gz LYEBKUSILAMSFB-GJZGRUSLSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1C[NH2+][C@@](C)(CC)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259627 179257839 /nfs/dbraw/zinc/25/78/39/179257839.db2.gz GMIXWBXCYXNFQK-BMFZPTHFSA-N 1 3 265.445 2.076 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(CC)C[N@@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259627 179257841 /nfs/dbraw/zinc/25/78/41/179257841.db2.gz GMIXWBXCYXNFQK-BMFZPTHFSA-N 1 3 265.445 2.076 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(CC)C[N@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259627 179257843 /nfs/dbraw/zinc/25/78/43/179257843.db2.gz GMIXWBXCYXNFQK-BMFZPTHFSA-N 1 3 265.445 2.076 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(CC)C[N@@H+]1C[C@@H]1CCCCN1C ZINC000086259339 179258183 /nfs/dbraw/zinc/25/81/83/179258183.db2.gz RZVUWVANHKMODE-PMPSAXMXSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(CC)C[N@H+]1C[C@@H]1CCCCN1C ZINC000086259339 179258184 /nfs/dbraw/zinc/25/81/84/179258184.db2.gz RZVUWVANHKMODE-PMPSAXMXSA-N 1 3 267.461 2.323 10 0 CEAEHO [NH3+][C@@H]1CC[C@H](NCc2ccc(Br)cc2)C1 ZINC000086397616 179285430 /nfs/dbraw/zinc/28/54/30/179285430.db2.gz OCYGAOSEJBBAER-NEPJUHHUSA-N 1 3 269.186 2.419 10 0 CEAEHO C[C@@H](CN1CCCCC1)NC1=[NH+]C[C@H](C)CS1 ZINC000086632832 179314817 /nfs/dbraw/zinc/31/48/17/179314817.db2.gz GAGFGXSZUBVBMV-RYUDHWBXSA-N 1 3 255.431 2.189 10 0 CEAEHO CCC[N@H+](CC1CC1)[C@]1(CN)CCCN(CC)CC1 ZINC000086847867 179356415 /nfs/dbraw/zinc/35/64/15/179356415.db2.gz BEJBAPRSBJFLKT-MRXNPFEDSA-N 1 3 267.461 2.312 10 0 CEAEHO CCC[N@@H+](CC1CC1)[C@]1(CN)CCCN(CC)CC1 ZINC000086847867 179356416 /nfs/dbraw/zinc/35/64/16/179356416.db2.gz BEJBAPRSBJFLKT-MRXNPFEDSA-N 1 3 267.461 2.312 10 0 CEAEHO CCN1CCC[C@@H]([NH2+]Cc2ccc(C(=O)NC)cc2)CC1 ZINC000086836005 179349843 /nfs/dbraw/zinc/34/98/43/179349843.db2.gz JXGPJNKEBRHLNE-MRXNPFEDSA-N 1 3 289.423 2.010 10 0 CEAEHO C[C@H]1CCC[C@](C[NH3+])(N2CCN(CC3CC3)CC2)CC1 ZINC000086891025 179366553 /nfs/dbraw/zinc/36/65/53/179366553.db2.gz CIWGJSGYWVMRLM-RDJZCZTQSA-N 1 3 279.472 2.312 10 0 CEAEHO CC[C@@H]1CCC[C@@](CO)(N2CCC[NH2+]CC2)CC1 ZINC000086920913 179367765 /nfs/dbraw/zinc/36/77/65/179367765.db2.gz IUMIFPZCPYTOBG-HUUCEWRRSA-N 1 3 254.418 2.003 10 0 CEAEHO CCN1CCC[C@H]([C@@H](C)[NH2+]CC(O)(CC)CC)C1 ZINC000087014774 179379926 /nfs/dbraw/zinc/37/99/26/179379926.db2.gz KFPQUVUFJWWLDM-KGLIPLIRSA-N 1 3 256.434 2.248 10 0 CEAEHO C[C@@H]1CCN[C@H](C2CC2)C[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090878338 180052093 /nfs/dbraw/zinc/05/20/93/180052093.db2.gz NWMRJCNIXYBCRM-COXVUDFISA-N 1 3 286.419 2.453 10 0 CEAEHO C[C@@H]1CCN[C@H](C2CC2)C[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090878338 180052096 /nfs/dbraw/zinc/05/20/96/180052096.db2.gz NWMRJCNIXYBCRM-COXVUDFISA-N 1 3 286.419 2.453 10 0 CEAEHO CCCN(CCC[NH3+])C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090879148 180052722 /nfs/dbraw/zinc/05/27/22/180052722.db2.gz CMSOWOUUZAVVBO-AWEZNQCLSA-N 1 3 266.360 2.190 10 0 CEAEHO C[C@@H](C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1)CN1CCCC1 ZINC000090892749 180054689 /nfs/dbraw/zinc/05/46/89/180054689.db2.gz HDKCAZUBYQSROR-BBRMVZONSA-N 1 3 292.398 2.451 10 0 CEAEHO CC(=O)Nc1ccsc1C[NH2+]CC(C)(C)CN(C)C ZINC000090958892 180075776 /nfs/dbraw/zinc/07/57/76/180075776.db2.gz CYCBJEIAMPKCMS-UHFFFAOYSA-N 1 3 283.441 2.384 10 0 CEAEHO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C[C@@H]1Cc2ccccc21 ZINC000090978330 180079022 /nfs/dbraw/zinc/07/90/22/180079022.db2.gz ZPELIQXKBCVRQB-XOSAIJSUSA-N 1 3 256.393 2.256 10 0 CEAEHO C[C@H]1CC[C@@H](C[NH3+])CN1Cc1c[nH]c2ncccc12 ZINC000091019761 180087716 /nfs/dbraw/zinc/08/77/16/180087716.db2.gz AIXBXWJPZJSOMR-RYUDHWBXSA-N 1 3 258.369 2.122 10 0 CEAEHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2c[nH]c3ncccc23)C1 ZINC000091019736 180088102 /nfs/dbraw/zinc/08/81/02/180088102.db2.gz DUTBIGTUQHOLAZ-NEPJUHHUSA-N 1 3 258.369 2.122 10 0 CEAEHO C[N@H+](CC[C@H]1CNCCO1)Cc1cccc(Cl)c1 ZINC000091313754 180132959 /nfs/dbraw/zinc/13/29/59/180132959.db2.gz KPVJVCUWSARXQT-AWEZNQCLSA-N 1 3 268.788 2.150 10 0 CEAEHO C[N@@H+](CC[C@H]1CNCCO1)Cc1cccc(Cl)c1 ZINC000091313754 180132960 /nfs/dbraw/zinc/13/29/60/180132960.db2.gz KPVJVCUWSARXQT-AWEZNQCLSA-N 1 3 268.788 2.150 10 0 CEAEHO CC(C)C[NH2+]Cc1cncc(OC[C@@H]2CCCCN2C)n1 ZINC000091435565 180154097 /nfs/dbraw/zinc/15/40/97/180154097.db2.gz CWCXFQRZEKHXMW-HNNXBMFYSA-N 1 3 292.427 2.085 10 0 CEAEHO CCOc1ccccc1[C@@H](N)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091395768 180146246 /nfs/dbraw/zinc/14/62/46/180146246.db2.gz UBFTYXIPPARBMQ-HOCLYGCPSA-N 1 3 291.439 2.111 10 0 CEAEHO CCCN1CCN(CC(C)(C)[C@H](C)[NH2+]CC)CC1 ZINC000091402264 180147102 /nfs/dbraw/zinc/14/71/02/180147102.db2.gz CQEDKNBQWXVRRJ-AWEZNQCLSA-N 1 3 255.450 2.038 10 0 CEAEHO CCC(CC)([C@@H]([NH3+])Cc1ncnn1C(C)C)N1CCCC1 ZINC000091635021 180211658 /nfs/dbraw/zinc/21/16/58/180211658.db2.gz VUZWMSQGOCJZCI-AWEZNQCLSA-N 1 3 293.459 2.383 10 0 CEAEHO CCN[C@H](CC[NH+](CC)CC)Cc1cc(C)nn1CC ZINC000091716559 180232185 /nfs/dbraw/zinc/23/21/85/180232185.db2.gz DSGREJFHJMSYMZ-OAHLLOKOSA-N 1 3 280.460 2.464 10 0 CEAEHO CC[NH2+][C@H](CCN(CC)CC)Cc1cc(C)nn1CC ZINC000091716559 180232186 /nfs/dbraw/zinc/23/21/86/180232186.db2.gz DSGREJFHJMSYMZ-OAHLLOKOSA-N 1 3 280.460 2.464 10 0 CEAEHO Cc1ccc(NC(=O)CN(C)C2CCC([NH3+])CC2)cc1 ZINC000091846830 180269950 /nfs/dbraw/zinc/26/99/50/180269950.db2.gz VLXDLBGPQMSULQ-UHFFFAOYSA-N 1 3 275.396 2.135 10 0 CEAEHO CCN(Cc1ccc(C(N)=O)cc1F)C1CCC([NH3+])CC1 ZINC000091850826 180272092 /nfs/dbraw/zinc/27/20/92/180272092.db2.gz ZBLJONGVXFZPLM-UHFFFAOYSA-N 1 3 293.386 2.016 10 0 CEAEHO C[NH2+]C1CCC(N(C)[C@@H]2COc3cc(O)ccc32)CC1 ZINC000091870944 180276958 /nfs/dbraw/zinc/27/69/58/180276958.db2.gz UYGWCGPPTWUGOF-KOHJWAIASA-N 1 3 276.380 2.288 10 0 CEAEHO CC(C)NCC1(C[NH+]2C[C@@H](C)[C@H](C)C2)CCOCC1 ZINC000092088681 180321088 /nfs/dbraw/zinc/32/10/88/180321088.db2.gz IWAZNXZOBGRNJF-HUUCEWRRSA-N 1 3 268.445 2.369 10 0 CEAEHO CCCN1CCN([C@@H](C[NH3+])c2ccc(C)c(F)c2)CC1 ZINC000110976898 186338598 /nfs/dbraw/zinc/33/85/98/186338598.db2.gz SDRXDYQEPWJUBQ-INIZCTEOSA-N 1 3 279.403 2.162 10 0 CEAEHO Cc1ccc([C@@H](CN)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000110977906 186339561 /nfs/dbraw/zinc/33/95/61/186339561.db2.gz KZZOIVDYJWLLHG-NVXWUHKLSA-N 1 3 291.414 2.304 10 0 CEAEHO Cc1ccc([C@@H](CN)N2CCC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000110977906 186339563 /nfs/dbraw/zinc/33/95/63/186339563.db2.gz KZZOIVDYJWLLHG-NVXWUHKLSA-N 1 3 291.414 2.304 10 0 CEAEHO CCc1ccccc1[C@H](C[NH3+])N1CCN(C)C(C)(C)C1 ZINC000110711722 186316661 /nfs/dbraw/zinc/31/66/61/186316661.db2.gz RBOHHCFPSABDNI-INIZCTEOSA-N 1 3 275.440 2.275 10 0 CEAEHO C[NH2+][C@@H](CCN1CCN(C)[C@@H](C)C1)c1ccccc1F ZINC000110744317 186318615 /nfs/dbraw/zinc/31/86/15/186318615.db2.gz OMNDTWLSUSADIH-BBRMVZONSA-N 1 3 279.403 2.112 10 0 CEAEHO C[C@H]1CN(Cc2ccc(C[NH2+]C3CC3)cc2)CCN1C ZINC000110751284 186321115 /nfs/dbraw/zinc/32/11/15/186321115.db2.gz ITXUMSYPIWCJGF-AWEZNQCLSA-N 1 3 273.424 2.075 10 0 CEAEHO CC[NH2+]Cc1cc(CN2CCN(C)C(C)(C)C2)c(C)o1 ZINC000110755424 186321258 /nfs/dbraw/zinc/32/12/58/186321258.db2.gz UNITXWKANSSDMP-UHFFFAOYSA-N 1 3 279.428 2.224 10 0 CEAEHO CC(C)[NH2+]Cc1ccc(OCCN(C)CCN(C)C)cc1 ZINC000111149593 186360989 /nfs/dbraw/zinc/36/09/89/186360989.db2.gz WMDITAKKCOZGLH-UHFFFAOYSA-N 1 3 293.455 2.057 10 0 CEAEHO CC[C@@H]([NH3+])[C@H](c1ccccc1F)N(C)CCN(C)C ZINC000111129696 186355932 /nfs/dbraw/zinc/35/59/32/186355932.db2.gz IGXCMAVIJRQSCT-CABCVRRESA-N 1 3 267.392 2.098 10 0 CEAEHO CN(CCC[NH+](C)C)c1ccc(Cl)cc1CN ZINC000111129272 186356287 /nfs/dbraw/zinc/35/62/87/186356287.db2.gz BMCVTVDKYFZUNT-UHFFFAOYSA-N 1 3 255.793 2.187 10 0 CEAEHO CN(C)CCN(C)[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000111132546 186356652 /nfs/dbraw/zinc/35/66/52/186356652.db2.gz UGMMOOBGKYZNNE-KRWDZBQOSA-N 1 3 271.408 2.333 10 0 CEAEHO C[NH2+][C@@H](c1ccccc1)[C@@H](C(C)C)N(C)CCN(C)C ZINC000111134235 186356799 /nfs/dbraw/zinc/35/67/99/186356799.db2.gz MSUKMPGXKMOULC-DLBZAZTESA-N 1 3 277.456 2.465 10 0 CEAEHO CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N(C)CCN(C)C ZINC000111134619 186357134 /nfs/dbraw/zinc/35/71/34/186357134.db2.gz JBARFBNHAHLFNR-ZNMIVQPWSA-N 1 3 255.450 2.037 10 0 CEAEHO C[NH2+][C@@H](CN(C)CCN(C)C)c1c(C)cc(C)cc1C ZINC000111134250 186357140 /nfs/dbraw/zinc/35/71/40/186357140.db2.gz YDQMZAXYTBVZKH-INIZCTEOSA-N 1 3 277.456 2.366 10 0 CEAEHO CCc1ccc([C@@H]([NH3+])[C@H](C)N(C)CCN(C)C)cc1 ZINC000111134380 186357768 /nfs/dbraw/zinc/35/77/68/186357768.db2.gz DZBYADCNJGHOFX-BBRMVZONSA-N 1 3 263.429 2.131 10 0 CEAEHO CN(CC[NH+](C)C)c1ccc(F)cc1CNC1CC1 ZINC000111140307 186357949 /nfs/dbraw/zinc/35/79/49/186357949.db2.gz YBGPLPARJZCWOR-UHFFFAOYSA-N 1 3 265.376 2.076 10 0 CEAEHO CCNCc1nc(C(C)C)ncc1N(C)CCC[NH+](C)C ZINC000111149459 186358429 /nfs/dbraw/zinc/35/84/29/186358429.db2.gz ONEGVPONWUCJHR-UHFFFAOYSA-N 1 3 293.459 2.097 10 0 CEAEHO C[C@@H]1CCN(C2CCN(Cc3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000070145011 363037246 /nfs/dbraw/zinc/03/72/46/363037246.db2.gz ITENVVWXTWJWCX-QAPCUYQASA-N 1 3 287.451 2.320 10 0 CEAEHO c1ccc(COC2CC(N[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000583928749 367115946 /nfs/dbraw/zinc/11/59/46/367115946.db2.gz HWWQNKJAZANYKC-KLAILNCOSA-N 1 3 274.408 2.466 10 0 CEAEHO c1ccc(COC2CC([NH2+][C@@H]3CCCNCC3)C2)cc1 ZINC000583928749 367115953 /nfs/dbraw/zinc/11/59/53/367115953.db2.gz HWWQNKJAZANYKC-KLAILNCOSA-N 1 3 274.408 2.466 10 0 CEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000245428801 370818457 /nfs/dbraw/zinc/81/84/57/370818457.db2.gz JMLLLDRTXNURDW-LVQVYYBASA-N 1 3 295.471 2.190 10 0 CEAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000245428801 370818461 /nfs/dbraw/zinc/81/84/61/370818461.db2.gz JMLLLDRTXNURDW-LVQVYYBASA-N 1 3 295.471 2.190 10 0 CEAEHO C[C@H]1CN(CCOc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000631843130 367586344 /nfs/dbraw/zinc/58/63/44/367586344.db2.gz JNZPMSNPASYRFN-RYUDHWBXSA-N 1 3 268.788 2.245 10 0 CEAEHO CN(CCN(C)Cc1ccc(F)cc1)CC[N@H+](C)C1CC1 ZINC000187565450 369179614 /nfs/dbraw/zinc/17/96/14/369179614.db2.gz LOBWHQXCSVGJPP-UHFFFAOYSA-N 1 3 293.430 2.284 10 0 CEAEHO CN(CCN(C)Cc1ccc(F)cc1)CC[N@@H+](C)C1CC1 ZINC000187565450 369179617 /nfs/dbraw/zinc/17/96/17/369179617.db2.gz LOBWHQXCSVGJPP-UHFFFAOYSA-N 1 3 293.430 2.284 10 0 CEAEHO c1ccc(CN2CCCC[C@H]2CNC2CC[NH2+]CC2)cc1 ZINC000379618825 375153907 /nfs/dbraw/zinc/15/39/07/375153907.db2.gz AQXXASLAFGHKIR-SFHVURJKSA-N 1 3 287.451 2.383 10 0 CEAEHO CC[C@@H]1CCC[C@@]2(C[NH+]=C(N)N2CCN(CC)CC)C1 ZINC000093382146 184669985 /nfs/dbraw/zinc/66/99/85/184669985.db2.gz WGFIDLUIRKILFV-ZBFHGGJFSA-N 1 3 280.460 2.298 10 0 CEAEHO C[NH2+][C@H]1[C@H](N(C)CCN2CCCC2)CCCC1(C)C ZINC000094275590 184774256 /nfs/dbraw/zinc/77/42/56/184774256.db2.gz ZSEHTZWCPIJHFV-CABCVRRESA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000119106951 394763739 /nfs/dbraw/zinc/76/37/39/394763739.db2.gz RIYMBXMIWBPCFY-FMKPAKJESA-N 1 3 268.445 2.390 10 0 CEAEHO CC[C@](C)(O)CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000119106951 394763744 /nfs/dbraw/zinc/76/37/44/394763744.db2.gz RIYMBXMIWBPCFY-FMKPAKJESA-N 1 3 268.445 2.390 10 0 CEAEHO CC[C@](C)(O)CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000119106951 394763746 /nfs/dbraw/zinc/76/37/46/394763746.db2.gz RIYMBXMIWBPCFY-FMKPAKJESA-N 1 3 268.445 2.390 10 0 CEAEHO CCCN1CCN([C@H](C[NH3+])c2ccc(SC)cc2)CC1 ZINC000020362600 171161534 /nfs/dbraw/zinc/16/15/34/171161534.db2.gz KDSKRFCOCUSBGB-MRXNPFEDSA-N 1 3 293.480 2.436 10 0 CEAEHO [NH3+]CC[C@H](COc1ccc(F)cc1)N1CCCC1 ZINC000020401981 171182185 /nfs/dbraw/zinc/18/21/85/171182185.db2.gz BTKCEDDDSUEFOG-CYBMUJFWSA-N 1 3 252.333 2.018 10 0 CEAEHO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1CN ZINC000022153141 171360086 /nfs/dbraw/zinc/36/00/86/171360086.db2.gz NTTPRJIGCKIAOX-ZDUSSCGKSA-N 1 3 275.396 2.348 10 0 CEAEHO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1CN ZINC000022153141 171360087 /nfs/dbraw/zinc/36/00/87/171360087.db2.gz NTTPRJIGCKIAOX-ZDUSSCGKSA-N 1 3 275.396 2.348 10 0 CEAEHO CC(C)[N@H+](C)CCCC(=O)Nc1cccc(CN)c1 ZINC000022174609 171369904 /nfs/dbraw/zinc/36/99/04/171369904.db2.gz QDLCLKPBUYQFED-UHFFFAOYSA-N 1 3 263.385 2.204 10 0 CEAEHO CC(C)[N@@H+](C)CCCC(=O)Nc1cccc(CN)c1 ZINC000022174609 171369905 /nfs/dbraw/zinc/36/99/05/171369905.db2.gz QDLCLKPBUYQFED-UHFFFAOYSA-N 1 3 263.385 2.204 10 0 CEAEHO CCCN1CCC(CN)([N@H+](C)C[C@H](C)CC)CC1 ZINC000037172711 173006460 /nfs/dbraw/zinc/00/64/60/173006460.db2.gz MXLKYUPPEDCIFX-CQSZACIVSA-N 1 3 255.450 2.168 10 0 CEAEHO CCCN1CCC(CN)([N@@H+](C)C[C@H](C)CC)CC1 ZINC000037172711 173006463 /nfs/dbraw/zinc/00/64/63/173006463.db2.gz MXLKYUPPEDCIFX-CQSZACIVSA-N 1 3 255.450 2.168 10 0 CEAEHO CCCN1CCN([C@@H](C[NH3+])c2cc(C)cc(C)c2)CC1 ZINC000043393884 175034774 /nfs/dbraw/zinc/03/47/74/175034774.db2.gz OTDDZWOVUDXOQE-KRWDZBQOSA-N 1 3 275.440 2.331 10 0 CEAEHO CCC[NH2+][C@@H](CC)[C@H](C)N(C)C1CCN(C)CC1 ZINC000043815444 175112554 /nfs/dbraw/zinc/11/25/54/175112554.db2.gz IJFBJYOIKLNREI-ZFWWWQNUSA-N 1 3 255.450 2.179 10 0 CEAEHO CCc1ccc([C@@H](CN2CCCN(C)CC2)[NH2+]C)cc1 ZINC000043818219 175112916 /nfs/dbraw/zinc/11/29/16/175112916.db2.gz MQIKXGIMPCYMAP-QGZVFWFLSA-N 1 3 275.440 2.147 10 0 CEAEHO C[NH2+][C@H]1CCCCCC[C@H]1N1CCN(CC2CC2)CC1 ZINC000043967853 175129151 /nfs/dbraw/zinc/12/91/51/175129151.db2.gz DYSRLXXKKWSVDD-DLBZAZTESA-N 1 3 279.472 2.325 10 0 CEAEHO CCC[NH2+][C@H](CC)[C@H](C)N1CCN(CC2CC2)CC1 ZINC000043968007 175129229 /nfs/dbraw/zinc/12/92/29/175129229.db2.gz HHVJYKACMUUOAO-GOEBONIOSA-N 1 3 267.461 2.181 10 0 CEAEHO CC(C)CN(CCN(C)C)C(=O)C1(C[NH3+])CCCCCC1 ZINC000044764254 175248137 /nfs/dbraw/zinc/24/81/37/175248137.db2.gz HCTIMJGHNUEGGU-UHFFFAOYSA-N 1 3 297.487 2.332 10 0 CEAEHO CC(C)N1CC[C@@H](C[NH2+]CC2(O)CCCCC2)C1 ZINC000045134871 175312356 /nfs/dbraw/zinc/31/23/56/175312356.db2.gz DBCDVVVTRLXKLI-AWEZNQCLSA-N 1 3 254.418 2.002 10 0 CEAEHO Cc1cnc(CCN[C@H](C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000656200063 415635450 /nfs/dbraw/zinc/63/54/50/415635450.db2.gz IXGBQESELCTUNX-HUUCEWRRSA-N 1 3 261.413 2.219 10 0 CEAEHO CC[C@H](CC[NH3+])N1CCN([C@H](C)c2ccccc2)CC1 ZINC000070988418 176018763 /nfs/dbraw/zinc/01/87/63/176018763.db2.gz HXOPOMRYCVBNAN-NVXWUHKLSA-N 1 3 275.440 2.493 10 0 CEAEHO CC[C@H](CC[NH3+])N1CCN([C@@H](C)c2ccccc2)CC1 ZINC000070988415 176018768 /nfs/dbraw/zinc/01/87/68/176018768.db2.gz HXOPOMRYCVBNAN-DOTOQJQBSA-N 1 3 275.440 2.493 10 0 CEAEHO CC[NH+](CC)CCC[C@H](C)N1CCC[C@@H](NC2CC2)C1=O ZINC000071038108 176026749 /nfs/dbraw/zinc/02/67/49/176026749.db2.gz ATOKZROJTGIASE-GOEBONIOSA-N 1 3 295.471 2.240 10 0 CEAEHO CCc1ccc([C@@H](N)CN(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071188681 176063728 /nfs/dbraw/zinc/06/37/28/176063728.db2.gz ITXQLCSCSSFLNE-WBVHZDCISA-N 1 3 275.440 2.132 10 0 CEAEHO CCc1ccc([C@@H](N)CN(C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071188681 176063729 /nfs/dbraw/zinc/06/37/29/176063729.db2.gz ITXQLCSCSSFLNE-WBVHZDCISA-N 1 3 275.440 2.132 10 0 CEAEHO CCNCc1cc(CN(C)C[C@H]2CC[N@H+](C)C2)c(C)o1 ZINC000071192071 176073877 /nfs/dbraw/zinc/07/38/77/176073877.db2.gz SOWGAQMXSUDHPZ-AWEZNQCLSA-N 1 3 279.428 2.081 10 0 CEAEHO CCNCc1cc(CN(C)C[C@H]2CC[N@@H+](C)C2)c(C)o1 ZINC000071192071 176073878 /nfs/dbraw/zinc/07/38/78/176073878.db2.gz SOWGAQMXSUDHPZ-AWEZNQCLSA-N 1 3 279.428 2.081 10 0 CEAEHO CCO[C@@H]1CCCN(Cc2ccc(F)cc2C[NH3+])C1 ZINC000071263440 176096498 /nfs/dbraw/zinc/09/64/98/176096498.db2.gz OZSBSIYMIROJLL-OAHLLOKOSA-N 1 3 266.360 2.285 10 0 CEAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000246085273 280272653 /nfs/dbraw/zinc/27/26/53/280272653.db2.gz IHSGDPILJSBIKE-LVQVYYBASA-N 1 3 297.487 2.340 10 0 CEAEHO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000397497665 280679524 /nfs/dbraw/zinc/67/95/24/280679524.db2.gz CRTDCABMGGPSTC-PMPSAXMXSA-N 1 3 282.472 2.494 10 0 CEAEHO CC(C)C[NH2+]C[C@@H](C)N(CCN(C)C)CC(C)C ZINC000052503271 519744622 /nfs/dbraw/zinc/74/46/22/519744622.db2.gz YBOOVXMUMKVNIL-OAHLLOKOSA-N 1 3 257.466 2.140 10 0 CEAEHO CCC[NH2+]CC(CC)(CC)CN1CCC[C@H]1CO ZINC000051254908 519908996 /nfs/dbraw/zinc/90/89/96/519908996.db2.gz UYQFRDBPGYJIEF-AWEZNQCLSA-N 1 3 256.434 2.249 10 0 CEAEHO CCC[NH2+]CCCCN1CCN(C(C)(C)C)CC1 ZINC000052571564 519911980 /nfs/dbraw/zinc/91/19/80/519911980.db2.gz YYPIHFQUGBRHDC-UHFFFAOYSA-N 1 3 255.450 2.182 10 0 CEAEHO CCCNCc1coc(COCCC[NH+](C)C)c1 ZINC000052672541 519965652 /nfs/dbraw/zinc/96/56/52/519965652.db2.gz XYRKATPUYKOXMJ-UHFFFAOYSA-N 1 3 254.374 2.248 10 0 CEAEHO CCC[NH2+][C@@H](C)C1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000068875170 519985507 /nfs/dbraw/zinc/98/55/07/519985507.db2.gz ZCJAJADOFKDJRC-JQWIXIFHSA-N 1 3 282.350 2.010 10 0 CEAEHO CC[NH2+]Cc1sc(N(C)[C@@H]2CCCN(C)C2)nc1C ZINC000054998283 520033599 /nfs/dbraw/zinc/03/35/99/520033599.db2.gz OVAUUZICYITNKZ-GFCCVEGCSA-N 1 3 282.457 2.091 10 0 CEAEHO CC[NH2+][C@@H](CC)[C@@H](C)N1CCN(C2CCCC2)CC1 ZINC000052061380 520082370 /nfs/dbraw/zinc/08/23/70/520082370.db2.gz RJNXIRIXCLHHLJ-ZBFHGGJFSA-N 1 3 267.461 2.323 10 0 CEAEHO CCC[C@@H]([NH2+]C)[C@@H](CC)N1CCN(CC(C)C)CC1 ZINC000055079234 520769185 /nfs/dbraw/zinc/76/91/85/520769185.db2.gz RPRGYKYSRRONJE-HZPDHXFCSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[N@H+](CC1CC1)C[C@@]1(CNC2CC2)CCCOC1 ZINC000069262809 520956741 /nfs/dbraw/zinc/95/67/41/520956741.db2.gz AGAZXZNKXSSWAL-INIZCTEOSA-N 1 3 266.429 2.267 10 0 CEAEHO CC[N@@H+](CC1CC1)C[C@@]1(CNC2CC2)CCCOC1 ZINC000069262809 520956744 /nfs/dbraw/zinc/95/67/44/520956744.db2.gz AGAZXZNKXSSWAL-INIZCTEOSA-N 1 3 266.429 2.267 10 0 CEAEHO CCN(CC1CC1)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000069262809 520956753 /nfs/dbraw/zinc/95/67/53/520956753.db2.gz AGAZXZNKXSSWAL-INIZCTEOSA-N 1 3 266.429 2.267 10 0 CEAEHO CCCN(CCN(C)C)[C@H](C[NH2+]C1CC1)C(C)C ZINC000052544103 521657339 /nfs/dbraw/zinc/65/73/39/521657339.db2.gz BMSQGHUKHOXEQN-OAHLLOKOSA-N 1 3 255.450 2.037 10 0 CEAEHO CCCN(CCN(C)C)c1cc(Cl)ccc1C(N)=[NH2+] ZINC000062788958 521658920 /nfs/dbraw/zinc/65/89/20/521658920.db2.gz OTNAEHBJYUCGPX-UHFFFAOYSA-N 1 3 282.819 2.402 10 0 CEAEHO C[NH2+]CC1(CN2CCN(CC(C)C)CC2)CCCCC1 ZINC000055081689 521969296 /nfs/dbraw/zinc/96/92/96/521969296.db2.gz RAVAYERBYOTWEJ-UHFFFAOYSA-N 1 3 281.488 2.430 10 0 CEAEHO C[C@H](NCCc1c[nH]c2ccccc12)[C@H]1CC[NH2+]C1 ZINC000400530525 533868363 /nfs/dbraw/zinc/86/83/63/533868363.db2.gz RNQISJDNSICKLT-STQMWFEESA-N 1 3 257.381 2.298 10 0 CEAEHO CC(C)N(Cc1cccs1)C[C@@H]1CC[C@H](C[NH3+])O1 ZINC000052544996 519661792 /nfs/dbraw/zinc/66/17/92/519661792.db2.gz MWRVKJJBSZLFPQ-OLZOCXBDSA-N 1 3 268.426 2.465 10 0 CEAEHO CC(C)CN(Cc1ccc[nH+]c1NN)CC(C)C ZINC000052718882 519718656 /nfs/dbraw/zinc/71/86/56/519718656.db2.gz RKFUGXCQDJJTOC-UHFFFAOYSA-N 1 3 250.390 2.481 10 0 CEAEHO CC(C)CN1CCN([C@@H](C[NH2+]C2CC2)C(C)C)CC1 ZINC000055082978 519727484 /nfs/dbraw/zinc/72/74/84/519727484.db2.gz PHHYZGCMGCQYNY-INIZCTEOSA-N 1 3 267.461 2.037 10 0 CEAEHO CC(C)CN1CCN(c2ccccc2[C@H](C)[NH3+])CC1 ZINC000055079753 519729056 /nfs/dbraw/zinc/72/90/56/519729056.db2.gz WHCQGJSNJBILBR-AWEZNQCLSA-N 1 3 261.413 2.484 10 0 CEAEHO CC(C)C[NH2+]CC1(CN2CC[C@@H](O)C2)CCCCC1 ZINC000061711768 519742747 /nfs/dbraw/zinc/74/27/47/519742747.db2.gz RNMJZCUNWVGZRU-OAHLLOKOSA-N 1 3 268.445 2.249 10 0 CEAEHO CC(C)[C@H]1CC[C@H](N)[C@H]([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061643348 519826011 /nfs/dbraw/zinc/82/60/11/519826011.db2.gz MXSZSACDEOADIC-XUWVNRHRSA-N 1 3 267.461 2.164 10 0 CEAEHO CC(C)[C@H]1CC[C@H](N)[C@H]([N@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061643348 519826012 /nfs/dbraw/zinc/82/60/12/519826012.db2.gz MXSZSACDEOADIC-XUWVNRHRSA-N 1 3 267.461 2.164 10 0 CEAEHO CC[NH2+]CC1(CN2CCC(OC)CC2)CCCC1 ZINC000051216230 519913049 /nfs/dbraw/zinc/91/30/49/519913049.db2.gz AXYFMNBVFTWLQW-UHFFFAOYSA-N 1 3 254.418 2.267 10 0 CEAEHO CC[NH2+]Cc1ccc(CN2CCCSCC2)o1 ZINC000052371042 519996303 /nfs/dbraw/zinc/99/63/03/519996303.db2.gz OVSUCPQXLZZDAE-UHFFFAOYSA-N 1 3 254.399 2.328 10 0 CEAEHO CC[NH2+]Cc1ccc(OCCN(CC)CCOC)cc1 ZINC000052542715 519999568 /nfs/dbraw/zinc/99/95/68/519999568.db2.gz LEVAPXOZYWAIGH-UHFFFAOYSA-N 1 3 280.412 2.143 10 0 CEAEHO CCNCc1occc1COCC[NH+]1CCCCC1 ZINC000052670833 520029829 /nfs/dbraw/zinc/02/98/29/520029829.db2.gz NGFRRKFBZYTJAM-UHFFFAOYSA-N 1 3 266.385 2.392 10 0 CEAEHO CCC[NH2+][C@H](CCC)CN1CCC[C@@H]1CN(C)C ZINC000061643320 520070355 /nfs/dbraw/zinc/07/03/55/520070355.db2.gz UEKREOHVLVVUDE-HUUCEWRRSA-N 1 3 255.450 2.181 10 0 CEAEHO CCC[NH2+][C@H]1CCC[C@H]1N1CCN(CC(C)C)CC1 ZINC000055079374 520093610 /nfs/dbraw/zinc/09/36/10/520093610.db2.gz FMFMSAZNQCUGGJ-JKSUJKDBSA-N 1 3 267.461 2.181 10 0 CEAEHO CCCCCC[NH2+]CCN1CCC[C@H]1CN(C)C ZINC000061655101 520093874 /nfs/dbraw/zinc/09/38/74/520093874.db2.gz NDZVMCPFLYOWMO-HNNXBMFYSA-N 1 3 255.450 2.182 10 0 CEAEHO CC[NH2+][C@H](CN1CCN([C@@H](C)CC)CC1)C(C)(C)C ZINC000055065952 520199008 /nfs/dbraw/zinc/19/90/08/520199008.db2.gz KAVOFMLAVSPVIO-LSDHHAIUSA-N 1 3 269.477 2.427 10 0 CEAEHO CCO[C@H](C[NH3+])CCN(Cc1cccs1)C1CC1 ZINC000062741068 520516860 /nfs/dbraw/zinc/51/68/60/520516860.db2.gz JSFMBLNQGDMWFS-ZDUSSCGKSA-N 1 3 268.426 2.466 10 0 CEAEHO CCC(C)(C)[NH2+]CCN1CCN(CC(C)C)CC1 ZINC000055075781 521349842 /nfs/dbraw/zinc/34/98/42/521349842.db2.gz UPDOIJSOGLGGNV-UHFFFAOYSA-N 1 3 255.450 2.038 10 0 CEAEHO CCC(CC)N(CCOC)[C@@]1(C[NH3+])CCCSC1 ZINC000061590244 521562567 /nfs/dbraw/zinc/56/25/67/521562567.db2.gz KXYFXKNSLASOCE-CQSZACIVSA-N 1 3 274.474 2.348 10 0 CEAEHO CCC(CC)[NH2+]C[C@H](C)N1CCC[C@@H]1CN(C)C ZINC000061655145 521596468 /nfs/dbraw/zinc/59/64/68/521596468.db2.gz WKZQZFKQHILZJE-DZGCQCFKSA-N 1 3 255.450 2.179 10 0 CEAEHO CCN1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)CCN(C)C)C1 ZINC000049553826 521651004 /nfs/dbraw/zinc/65/10/04/521651004.db2.gz XEOFHIGVKUYJAD-ZNMIVQPWSA-N 1 3 255.450 2.037 10 0 CEAEHO CCCN(CCN(C)C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052183225 521656653 /nfs/dbraw/zinc/65/66/53/521656653.db2.gz ZUEGQUGDVUHTNA-UHFFFAOYSA-N 1 3 299.503 2.055 10 0 CEAEHO C[NH+](C)[C@@H]1CCN(c2cc(Br)ccc2CN)C1 ZINC000062967088 522051944 /nfs/dbraw/zinc/05/19/44/522051944.db2.gz KSSHIGXWSLTXSN-GFCCVEGCSA-N 1 3 298.228 2.048 10 0 CEAEHO CC[C@@H](C)N1CCN(Cc2ccc(C(N)=[NH2+])cc2F)CC1 ZINC000055067244 522126616 /nfs/dbraw/zinc/12/66/16/522126616.db2.gz IKBIBXOYJNASNS-GFCCVEGCSA-N 1 3 292.402 2.026 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](CC)C[NH2+]C(C)C)CC1 ZINC000055074616 522132198 /nfs/dbraw/zinc/13/21/98/522132198.db2.gz DJOZEROGHLKLMY-HUUCEWRRSA-N 1 3 255.450 2.179 10 0 CEAEHO CNCc1occc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000052484209 522165688 /nfs/dbraw/zinc/16/56/88/522165688.db2.gz QPNCRUJDRFEWPQ-UHFFFAOYSA-N 1 3 291.439 2.449 10 0 CEAEHO CC[C@H]1CO[C@H](C)CN1[C@@H](C)CCC[NH2+]C1CC1 ZINC000052571124 523354275 /nfs/dbraw/zinc/35/42/75/523354275.db2.gz QGXUDVXEZJGVOT-GUTXKFCHSA-N 1 3 254.418 2.406 10 0 CEAEHO CN([C@@H](CC(N)=[NH2+])c1ccccc1)C1CCOCC1 ZINC000055022947 523624428 /nfs/dbraw/zinc/62/44/28/523624428.db2.gz DFHBWEKMBBNGKC-AWEZNQCLSA-N 1 3 261.369 2.165 10 0 CEAEHO COCCN([C@@H](C)COC)[C@@]1(C[NH3+])C[C@@H](C)CC[C@@H]1C ZINC000068628447 523780032 /nfs/dbraw/zinc/78/00/32/523780032.db2.gz DYWMTXUQAVHHIL-YHUYYLMFSA-N 1 3 286.460 2.123 10 0 CEAEHO C[NH+](C)CC1CCN(Cc2cc(CNC3CC3)co2)CC1 ZINC000052515377 524049939 /nfs/dbraw/zinc/04/99/39/524049939.db2.gz UWGRNNLVPGWUQU-UHFFFAOYSA-N 1 3 291.439 2.305 10 0 CEAEHO C[C@@H]1CN(CCCCC[NH2+]C2CC2)CC(C)(C)O1 ZINC000052543577 524940673 /nfs/dbraw/zinc/94/06/73/524940673.db2.gz HEJGQRMVVPHOLR-CYBMUJFWSA-N 1 3 254.418 2.408 10 0 CEAEHO C[C@@H]1C[NH2+]C[C@H](C)CN(C[C@@H]2Cc3ccccc3O2)C1 ZINC000051087218 525099556 /nfs/dbraw/zinc/09/95/56/525099556.db2.gz XYPVQOAPDNITGI-LZWOXQAQSA-N 1 3 274.408 2.168 10 0 CEAEHO C[C@](CCCC[N@@H+]1CCCC(C)(C)C1)(NC1CC1)C(N)=O ZINC000069516647 525138280 /nfs/dbraw/zinc/13/82/80/525138280.db2.gz CYNWIVSPTMSWBE-QGZVFWFLSA-N 1 3 295.471 2.275 10 0 CEAEHO C[C@](CCCC[N@H+]1CCCC(C)(C)C1)(NC1CC1)C(N)=O ZINC000069516647 525138286 /nfs/dbraw/zinc/13/82/86/525138286.db2.gz CYNWIVSPTMSWBE-QGZVFWFLSA-N 1 3 295.471 2.275 10 0 CEAEHO COc1ccc([C@H](C[NH3+])N2CCN(C(C)C)CC2)cc1C ZINC000050596681 525351677 /nfs/dbraw/zinc/35/16/77/525351677.db2.gz OIZNKMBGTJZPGR-INIZCTEOSA-N 1 3 291.439 2.029 10 0 CEAEHO COc1ccc([C@H](CN)N2CCC([NH+](C)C)CC2)cc1C ZINC000050596689 525352002 /nfs/dbraw/zinc/35/20/02/525352002.db2.gz GCXHSPRQARIRDH-INIZCTEOSA-N 1 3 291.439 2.029 10 0 CEAEHO c1ccc2c(c1)CNC[C@@H]2N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000069267293 526506606 /nfs/dbraw/zinc/50/66/06/526506606.db2.gz HVFPGTORISNUGX-WBVHZDCISA-N 1 3 271.408 2.001 10 0 CEAEHO c1ccc2c(c1)CNC[C@@H]2N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000069267293 526506613 /nfs/dbraw/zinc/50/66/13/526506613.db2.gz HVFPGTORISNUGX-WBVHZDCISA-N 1 3 271.408 2.001 10 0 CEAEHO NC[C@@H]1CCCCC[C@H]1[N@@H+]1CCC[C@@H]1CCCO ZINC000052758168 527208115 /nfs/dbraw/zinc/20/81/15/527208115.db2.gz KKXNLLPZCNZCDX-RRFJBIMHSA-N 1 3 254.418 2.131 10 0 CEAEHO NC[C@@H]1CCCCC[C@H]1[N@H+]1CCC[C@@H]1CCCO ZINC000052758168 527208121 /nfs/dbraw/zinc/20/81/21/527208121.db2.gz KKXNLLPZCNZCDX-RRFJBIMHSA-N 1 3 254.418 2.131 10 0 CEAEHO COc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[C@H]1CN ZINC000250985819 625086154 /nfs/dbraw/zinc/08/61/54/625086154.db2.gz KHASVMKFFSMLRL-QEJZJMRPSA-N 1 3 262.397 2.343 10 0 CEAEHO C[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)[C@@H]1N1CCN(C(C)(C)C)CC1 ZINC000084464305 178891981 /nfs/dbraw/zinc/89/19/81/178891981.db2.gz ANLZPMSRJQBLNU-JJXSEGSLSA-N 1 3 281.488 2.425 10 0 CEAEHO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1cccc(CN2CCCC2)c1 ZINC000085361669 179033741 /nfs/dbraw/zinc/03/37/41/179033741.db2.gz AEIRCISCYTYWGG-HZPDHXFCSA-N 1 3 287.407 2.348 10 0 CEAEHO CCCCOCC[N@@H+]1C[C@H](C2CC2)NCC[C@@H]1C ZINC000085626296 179107305 /nfs/dbraw/zinc/10/73/05/179107305.db2.gz INIDHKPLFATZTP-DZGCQCFKSA-N 1 3 254.418 2.266 10 0 CEAEHO CCCCOCC[N@H+]1C[C@H](C2CC2)NCC[C@@H]1C ZINC000085626296 179107308 /nfs/dbraw/zinc/10/73/08/179107308.db2.gz INIDHKPLFATZTP-DZGCQCFKSA-N 1 3 254.418 2.266 10 0 CEAEHO CCN1CCC[C@@H](N2CC[NH2+]C3(CCCCC3)C2)C1 ZINC000086143099 179237280 /nfs/dbraw/zinc/23/72/80/179237280.db2.gz KEBYFJSFMMHXEE-OAHLLOKOSA-N 1 3 265.445 2.079 10 0 CEAEHO CC(C)[C@H]1CNC(C)(C)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259230 179258757 /nfs/dbraw/zinc/25/87/57/179258757.db2.gz SOYSJAVPAJWXBN-HUUCEWRRSA-N 1 3 267.461 2.037 10 0 CEAEHO CC(C)[C@H]1CNC(C)(C)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259230 179258758 /nfs/dbraw/zinc/25/87/58/179258758.db2.gz SOYSJAVPAJWXBN-HUUCEWRRSA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@H]1C[N@H+](C[C@@H]2CCCCN2C)[C@H](C(C)C)CN1 ZINC000086259354 179258764 /nfs/dbraw/zinc/25/87/64/179258764.db2.gz JIHBLLIWNYCOFS-JYJNAYRXSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1C[N@@H+](C[C@@H]2CCCCN2C)[C@H](C(C)C)CN1 ZINC000086259354 179258765 /nfs/dbraw/zinc/25/87/65/179258765.db2.gz JIHBLLIWNYCOFS-JYJNAYRXSA-N 1 3 267.461 2.179 10 0 CEAEHO C[C@@H]1CN[C@H](c2ccccc2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259583 179258838 /nfs/dbraw/zinc/25/88/38/179258838.db2.gz ZZWYFTQCNFYYNX-OLMNPRSZSA-N 1 3 285.435 2.258 10 0 CEAEHO C[C@@H]1CN[C@H](c2ccccc2)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259583 179258840 /nfs/dbraw/zinc/25/88/40/179258840.db2.gz ZZWYFTQCNFYYNX-OLMNPRSZSA-N 1 3 285.435 2.258 10 0 CEAEHO C[C@@H]([C@@H]1CCCO1)[N@@H+]1CCCNC2(CCCC2)C1 ZINC000086287094 179264095 /nfs/dbraw/zinc/26/40/95/179264095.db2.gz BGLWGTDPGPQTDL-KBPBESRZSA-N 1 3 252.402 2.162 10 0 CEAEHO C[C@@H]([C@@H]1CCCO1)[N@H+]1CCCNC2(CCCC2)C1 ZINC000086287094 179264097 /nfs/dbraw/zinc/26/40/97/179264097.db2.gz BGLWGTDPGPQTDL-KBPBESRZSA-N 1 3 252.402 2.162 10 0 CEAEHO C[C@@H]([C@@H]1CCCO1)N1CCC[NH2+]C2(CCCC2)C1 ZINC000086287094 179264099 /nfs/dbraw/zinc/26/40/99/179264099.db2.gz BGLWGTDPGPQTDL-KBPBESRZSA-N 1 3 252.402 2.162 10 0 CEAEHO C[C@@H]1C[NH2+]C2(CCCCC2)CN1C[C@@H]1CCCCN1C ZINC000086259325 179257599 /nfs/dbraw/zinc/25/75/99/179257599.db2.gz HYWHHBMJVWYXIV-CVEARBPZSA-N 1 3 279.472 2.467 10 0 CEAEHO CN1CCC[C@@H](C[N@@H+]2CCCN[C@@H](C(C)(C)C)C2)C1 ZINC000086291612 179266097 /nfs/dbraw/zinc/26/60/97/179266097.db2.gz FGUJEBTYRXNOAC-HUUCEWRRSA-N 1 3 267.461 2.038 10 0 CEAEHO CN1CCC[C@@H](C[N@H+]2CCCN[C@@H](C(C)(C)C)C2)C1 ZINC000086291612 179266100 /nfs/dbraw/zinc/26/61/00/179266100.db2.gz FGUJEBTYRXNOAC-HUUCEWRRSA-N 1 3 267.461 2.038 10 0 CEAEHO CCC1(CC)CN(C[C@H]2CCCCN2C)CCC[NH2+]1 ZINC000086291734 179266674 /nfs/dbraw/zinc/26/66/74/179266674.db2.gz SCLJCMJCELPXNU-OAHLLOKOSA-N 1 3 267.461 2.325 10 0 CEAEHO CCC1(CC)C[N@H+](C[C@H]2CCCCN2C)CCCN1 ZINC000086291734 179266675 /nfs/dbraw/zinc/26/66/75/179266675.db2.gz SCLJCMJCELPXNU-OAHLLOKOSA-N 1 3 267.461 2.325 10 0 CEAEHO CCC1(CC)C[N@@H+](C[C@H]2CCCCN2C)CCCN1 ZINC000086291734 179266676 /nfs/dbraw/zinc/26/66/76/179266676.db2.gz SCLJCMJCELPXNU-OAHLLOKOSA-N 1 3 267.461 2.325 10 0 CEAEHO C[N@H+](CCc1cccs1)[C@@]1(CN)CCSC1 ZINC000086440824 179292575 /nfs/dbraw/zinc/29/25/75/179292575.db2.gz CVQXQIQXZLWOFZ-GFCCVEGCSA-N 1 3 256.440 2.057 10 0 CEAEHO C[N@@H+](CCc1cccs1)[C@@]1(CN)CCSC1 ZINC000086440824 179292576 /nfs/dbraw/zinc/29/25/76/179292576.db2.gz CVQXQIQXZLWOFZ-GFCCVEGCSA-N 1 3 256.440 2.057 10 0 CEAEHO CC[NH+](CC)CCc1nc2c(s1)CCC[C@H]2N ZINC000086438891 179293045 /nfs/dbraw/zinc/29/30/45/179293045.db2.gz CZWUFIJSMACNGP-SNVBAGLBSA-N 1 3 253.415 2.364 10 0 CEAEHO C[C@@H](CN1CCCCC1)NC1=[NH+]C[C@@H](C)CS1 ZINC000086632828 179314828 /nfs/dbraw/zinc/31/48/28/179314828.db2.gz GAGFGXSZUBVBMV-NEPJUHHUSA-N 1 3 255.431 2.189 10 0 CEAEHO CC(C)C[N@H+](C(C)C)[C@@]1(CN)CCCN(C)CC1 ZINC000086819461 179348165 /nfs/dbraw/zinc/34/81/65/179348165.db2.gz PGBPJHLVJHKOIJ-HNNXBMFYSA-N 1 3 255.450 2.166 10 0 CEAEHO CC(C)C[N@@H+](C(C)C)[C@@]1(CN)CCCN(C)CC1 ZINC000086819461 179348166 /nfs/dbraw/zinc/34/81/66/179348166.db2.gz PGBPJHLVJHKOIJ-HNNXBMFYSA-N 1 3 255.450 2.166 10 0 CEAEHO CCN1CCC[C@](CN)([N@H+](CC(C)C)C2CC2)CC1 ZINC000086848078 179356465 /nfs/dbraw/zinc/35/64/65/179356465.db2.gz DYIZYSRXZGWDAZ-INIZCTEOSA-N 1 3 267.461 2.310 10 0 CEAEHO CCN1CCC[C@](CN)([N@@H+](CC(C)C)C2CC2)CC1 ZINC000086848078 179356466 /nfs/dbraw/zinc/35/64/66/179356466.db2.gz DYIZYSRXZGWDAZ-INIZCTEOSA-N 1 3 267.461 2.310 10 0 CEAEHO CCN1CCC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)CC1 ZINC000086836235 179349813 /nfs/dbraw/zinc/34/98/13/179349813.db2.gz ZXUSWXXWCYDPFS-AWEZNQCLSA-N 1 3 276.380 2.379 10 0 CEAEHO CC[C@@H](C)NC(=O)CCN[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086841977 179353453 /nfs/dbraw/zinc/35/34/53/179353453.db2.gz IJRVVUULCVGYGO-CABCVRRESA-N 1 3 283.460 2.144 10 0 CEAEHO CC[C@@H](C)NC(=O)CCN[C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086841977 179353454 /nfs/dbraw/zinc/35/34/54/179353454.db2.gz IJRVVUULCVGYGO-CABCVRRESA-N 1 3 283.460 2.144 10 0 CEAEHO CC[C@@H](C)NC(=O)CC[NH2+][C@H]1CCCN(C(C)C)CC1 ZINC000086841977 179353455 /nfs/dbraw/zinc/35/34/55/179353455.db2.gz IJRVVUULCVGYGO-CABCVRRESA-N 1 3 283.460 2.144 10 0 CEAEHO CC(C)N1CCC[C@@]([NH2+]C2CCCCCC2)(C(N)=O)CC1 ZINC000086849653 179358645 /nfs/dbraw/zinc/35/86/45/179358645.db2.gz WLYFPSPOLOACED-KRWDZBQOSA-N 1 3 295.471 2.417 10 0 CEAEHO CC(C)[C@@H]1CCC[C@@](CO)(N2CCC[NH2+]CC2)CC1 ZINC000086952104 179368850 /nfs/dbraw/zinc/36/88/50/179368850.db2.gz QOQCCWMEXLJLRX-HZPDHXFCSA-N 1 3 268.445 2.249 10 0 CEAEHO C[NH2+]C1(CCN2CC[C@H](COC)C2)CCCCC1 ZINC000087578686 179450211 /nfs/dbraw/zinc/45/02/11/179450211.db2.gz DLGNMOVFNAUGNV-AWEZNQCLSA-N 1 3 254.418 2.267 10 0 CEAEHO C[N@H+](Cc1cccc(Cl)c1)C[C@@]1(C)COC[C@@H]1N ZINC000090606663 180011282 /nfs/dbraw/zinc/01/12/82/180011282.db2.gz NLGRTNLPSWJSCF-KBPBESRZSA-N 1 3 268.788 2.136 10 0 CEAEHO C[N@@H+](Cc1cccc(Cl)c1)C[C@@]1(C)COC[C@@H]1N ZINC000090606663 180011283 /nfs/dbraw/zinc/01/12/83/180011283.db2.gz NLGRTNLPSWJSCF-KBPBESRZSA-N 1 3 268.788 2.136 10 0 CEAEHO CC(C)[N@H+](CC[C@@H]1CNCCO1)Cc1cccs1 ZINC000091313879 180133082 /nfs/dbraw/zinc/13/30/82/180133082.db2.gz PVUJOBYEAYZABH-CYBMUJFWSA-N 1 3 268.426 2.337 10 0 CEAEHO CC(C)[N@@H+](CC[C@@H]1CNCCO1)Cc1cccs1 ZINC000091313879 180133084 /nfs/dbraw/zinc/13/30/84/180133084.db2.gz PVUJOBYEAYZABH-CYBMUJFWSA-N 1 3 268.426 2.337 10 0 CEAEHO CCC[NH2+][C@H](C)C(C)(C)CN1CCCN(C)CC1 ZINC000091402639 180147575 /nfs/dbraw/zinc/14/75/75/180147575.db2.gz UCTCNPYUGPPSGZ-CQSZACIVSA-N 1 3 255.450 2.038 10 0 CEAEHO CCCn1ncnc1C[C@@H]([NH3+])C(CC)(CC)N1CCCC1 ZINC000091634975 180211642 /nfs/dbraw/zinc/21/16/42/180211642.db2.gz RKMWSNLSDSPBDE-CQSZACIVSA-N 1 3 293.459 2.213 10 0 CEAEHO C[NH2+][C@H]([C@@H]1CCOC1)C1(N2CCCC2)CCCC1 ZINC000091640857 180213406 /nfs/dbraw/zinc/21/34/06/180213406.db2.gz ZABQPVOOKBPTSG-ZIAGYGMSSA-N 1 3 252.402 2.020 10 0 CEAEHO C[NH2+][C@@H]([C@H]1CCOC1)C1(N2CCCC2)CCCC1 ZINC000091640858 180213529 /nfs/dbraw/zinc/21/35/29/180213529.db2.gz ZABQPVOOKBPTSG-KBPBESRZSA-N 1 3 252.402 2.020 10 0 CEAEHO C[C@@H](C(=O)NC1CCCCC1)N(C)C1CCC([NH3+])CC1 ZINC000091847787 180270807 /nfs/dbraw/zinc/27/08/07/180270807.db2.gz MKEMYLAEYNRMBQ-OPFPJEHXSA-N 1 3 281.444 2.026 10 0 CEAEHO C[NH2+]C1CCC(N(C)[C@H](C)C(=O)NC2CCCCC2)CC1 ZINC000091870609 180277425 /nfs/dbraw/zinc/27/74/25/180277425.db2.gz GUKSRVYUCIZHTL-VQCLRJIVSA-N 1 3 295.471 2.286 10 0 CEAEHO C[NH2+]C1CCC(N(C)Cc2cn3ccccc3n2)CC1 ZINC000091870592 180277503 /nfs/dbraw/zinc/27/75/03/180277503.db2.gz ACBANFVTFYAYEP-UHFFFAOYSA-N 1 3 272.396 2.297 10 0 CEAEHO CC[NH2+]C1CCC(N(C)[C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000091870441 180277526 /nfs/dbraw/zinc/27/75/26/180277526.db2.gz IMYSCJBPDSXWJG-IYXRBSQSSA-N 1 3 283.460 2.142 10 0 CEAEHO CCC1CCC(C[NH3+])(C2(O)CCN(CC)CC2)CC1 ZINC000091906318 180283848 /nfs/dbraw/zinc/28/38/48/180283848.db2.gz GUMLFINEBFHSRS-UHFFFAOYSA-N 1 3 268.445 2.379 10 0 CEAEHO CC[N@H+](Cc1nc(C)ccc1[O-])C1CCC([NH3+])CC1 ZINC000091996245 180302517 /nfs/dbraw/zinc/30/25/17/180302517.db2.gz LOVQBMXLAKALRN-UHFFFAOYSA-N 1 3 263.385 2.187 10 0 CEAEHO CC[N@@H+](Cc1nc(C)ccc1[O-])C1CCC([NH3+])CC1 ZINC000091996245 180302519 /nfs/dbraw/zinc/30/25/19/180302519.db2.gz LOVQBMXLAKALRN-UHFFFAOYSA-N 1 3 263.385 2.187 10 0 CEAEHO C[C@@H]1C[NH+](CCCC(=O)Nc2ccccc2CN)C[C@H]1C ZINC000092082052 180319328 /nfs/dbraw/zinc/31/93/28/180319328.db2.gz JMNXXPZEOATMSG-ZIAGYGMSSA-N 1 3 289.423 2.452 10 0 CEAEHO CCCNC[C@@]1(C[N@@H+]2C[C@H](C)[C@H](C)C2)CCCOC1 ZINC000092088418 180321705 /nfs/dbraw/zinc/32/17/05/180321705.db2.gz IIVNOFBCIMAVRX-OWCLPIDISA-N 1 3 268.445 2.371 10 0 CEAEHO CCCNC[C@@]1(C[N@H+]2C[C@H](C)[C@H](C)C2)CCCOC1 ZINC000092088418 180321706 /nfs/dbraw/zinc/32/17/06/180321706.db2.gz IIVNOFBCIMAVRX-OWCLPIDISA-N 1 3 268.445 2.371 10 0 CEAEHO CC(C)CN(CCC[NH3+])C[C@@H]1COc2ccccc21 ZINC000092298828 180358348 /nfs/dbraw/zinc/35/83/48/180358348.db2.gz YBZDAMGAPXHJLY-CQSZACIVSA-N 1 3 262.397 2.469 10 0 CEAEHO CC(C)C[N@H+](CCCN)C[C@@H]1COc2ccccc21 ZINC000092298828 180358349 /nfs/dbraw/zinc/35/83/49/180358349.db2.gz YBZDAMGAPXHJLY-CQSZACIVSA-N 1 3 262.397 2.469 10 0 CEAEHO CC(C)C[N@@H+](CCCN)C[C@@H]1COc2ccccc21 ZINC000092298828 180358352 /nfs/dbraw/zinc/35/83/52/180358352.db2.gz YBZDAMGAPXHJLY-CQSZACIVSA-N 1 3 262.397 2.469 10 0 CEAEHO CCC[NH2+]CCc1c(CC)nn(CCN(C)C)c1CC ZINC000092322986 180362233 /nfs/dbraw/zinc/36/22/33/180362233.db2.gz SOMFREMFIXLOKR-UHFFFAOYSA-N 1 3 280.460 2.112 10 0 CEAEHO CCCN1CCC[C@H]([C@@H](C)[NH2+][C@@H](CO)C(C)C)C1 ZINC000092394322 180376617 /nfs/dbraw/zinc/37/66/17/180376617.db2.gz KYVXUKQTIHHJLD-ILXRZTDVSA-N 1 3 256.434 2.103 10 0 CEAEHO CCNc1cc[nH+]c(CN2CCN([C@H](C)CC)CC2)c1 ZINC000092419005 180382121 /nfs/dbraw/zinc/38/21/21/180382121.db2.gz AXZLEVOXSYMROV-CQSZACIVSA-N 1 3 276.428 2.430 10 0 CEAEHO COc1ccc2c(c1)[C@](C[NH3+])(NCC(C)C)CCC2 ZINC000092384824 180374199 /nfs/dbraw/zinc/37/41/99/180374199.db2.gz DOGDAUAXPQNALW-INIZCTEOSA-N 1 3 262.397 2.431 10 0 CEAEHO CCN(CC)CCc1noc(C[C@@H]([NH2+]C)C(C)(C)C)n1 ZINC000109496167 186257078 /nfs/dbraw/zinc/25/70/78/186257078.db2.gz RPOQWAAOXOIYCU-GFCCVEGCSA-N 1 3 282.432 2.131 10 0 CEAEHO C[NH+](C)CCOc1cc(CNC2CC2)nc2ccccc21 ZINC000109590646 186264994 /nfs/dbraw/zinc/26/49/94/186264994.db2.gz NYTOFQYFIWZBJB-UHFFFAOYSA-N 1 3 285.391 2.427 10 0 CEAEHO C[C@H]([NH3+])C1CCN(Cc2ccc3c(c2)OCCCO3)CC1 ZINC000110645356 186308881 /nfs/dbraw/zinc/30/88/81/186308881.db2.gz BOASCTKBUPXWEJ-ZDUSSCGKSA-N 1 3 290.407 2.407 10 0 CEAEHO Cc1cccc([C@@H]([C@H](C)[NH3+])N2CCN(C)C(C)(C)C2)c1 ZINC000110704816 186313682 /nfs/dbraw/zinc/31/36/82/186313682.db2.gz YBNCGJMWYYCVIB-GOEBONIOSA-N 1 3 275.440 2.409 10 0 CEAEHO CCN1CCN([C@@H](C[NH3+])c2ccccc2C)C[C@@H]1C ZINC000110703121 186313842 /nfs/dbraw/zinc/31/38/42/186313842.db2.gz OXYLTLPOCKFDIT-HOCLYGCPSA-N 1 3 261.413 2.021 10 0 CEAEHO CC[C@H]([C@H]([NH3+])c1ccccc1)N1CCN(C)C(C)(C)C1 ZINC000110716305 186315863 /nfs/dbraw/zinc/31/58/63/186315863.db2.gz KPPMPLTZOGSVQU-HZPDHXFCSA-N 1 3 275.440 2.491 10 0 CEAEHO CC[C@H]1CN([C@@H]2CCc3ccccc3[C@@H]2[NH2+]C)CCN1C ZINC000110715784 186316500 /nfs/dbraw/zinc/31/65/00/186316500.db2.gz XPKYFOBHMHZREP-JQHSSLGASA-N 1 3 287.451 2.288 10 0 CEAEHO CCOc1ccc([C@@H]([NH3+])CN2CCN(C)C(C)(C)C2)cc1 ZINC000110716539 186316547 /nfs/dbraw/zinc/31/65/47/186316547.db2.gz IEEPHPJDDLMTGQ-INIZCTEOSA-N 1 3 291.439 2.111 10 0 CEAEHO CCN1CCN([C@@H]2CCCCCC[C@@H]2[NH3+])C[C@@H]1C ZINC000110714464 186316756 /nfs/dbraw/zinc/31/67/56/186316756.db2.gz GHVYYONIIBHCBK-SOUVJXGZSA-N 1 3 253.434 2.063 10 0 CEAEHO CC[NH2+][C@H]1CCCC[C@H]1CN1CCN(C)[C@@H](CC)C1 ZINC000110746245 186319409 /nfs/dbraw/zinc/31/94/09/186319409.db2.gz UOUCVOROKJRTKO-JYJNAYRXSA-N 1 3 267.461 2.181 10 0 CEAEHO CCN1CCN(CC[NH2+]C2CCC(C)CC2)C[C@@H]1C ZINC000110756916 186320064 /nfs/dbraw/zinc/32/00/64/186320064.db2.gz MBUORCHFHAXFJO-PCKAHOCUSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@H]1CN([C@@H](C)C[NH2+]C(C)(C)CC)CCN1C ZINC000110757266 186320862 /nfs/dbraw/zinc/32/08/62/186320862.db2.gz HOIOQDBIHXLTKX-KBPBESRZSA-N 1 3 255.450 2.179 10 0 CEAEHO CC(C)CC[NH2+]C[C@H](C)N1CCN(C)C(C)(C)C1 ZINC000110757964 186321644 /nfs/dbraw/zinc/32/16/44/186321644.db2.gz HPPPINOAQXVTNM-AWEZNQCLSA-N 1 3 255.450 2.037 10 0 CEAEHO CCN1CCN(CC[NH2+]Cc2ccc(C)s2)C[C@@H]1C ZINC000110756987 186321904 /nfs/dbraw/zinc/32/19/04/186321904.db2.gz IZJIGLDQHXPIJU-ZDUSSCGKSA-N 1 3 281.469 2.172 10 0 CEAEHO C[N@H+](C[C@H]1CCCOC1)[C@@H]1CCCCC[C@@H]1CN ZINC000111157301 186362119 /nfs/dbraw/zinc/36/21/19/186362119.db2.gz AQJIZVLKFDDBEU-RBSFLKMASA-N 1 3 254.418 2.252 10 0 CEAEHO C[N@@H+](C[C@H]1CCCOC1)[C@@H]1CCCCC[C@@H]1CN ZINC000111157301 186362121 /nfs/dbraw/zinc/36/21/21/186362121.db2.gz AQJIZVLKFDDBEU-RBSFLKMASA-N 1 3 254.418 2.252 10 0 CEAEHO CN(CC[NH+](C)C)C[C@H](N)c1cccc(C(F)(F)F)c1 ZINC000111135378 186357550 /nfs/dbraw/zinc/35/75/50/186357550.db2.gz UDIUKVGPYWBKAF-ZDUSSCGKSA-N 1 3 289.345 2.199 10 0 CEAEHO CCc1ccc([C@H]([NH3+])[C@H](C)N(C)CCN(C)C)cc1 ZINC000111134377 186357972 /nfs/dbraw/zinc/35/79/72/186357972.db2.gz DZBYADCNJGHOFX-XJKSGUPXSA-N 1 3 263.429 2.131 10 0 CEAEHO CN(CCC[NH+](C)C)c1ccnc(CNC(C)(C)C)c1 ZINC000111149411 186358696 /nfs/dbraw/zinc/35/86/96/186358696.db2.gz OJRINHISPDWXJJ-UHFFFAOYSA-N 1 3 278.444 2.358 10 0 CEAEHO CCCNCc1nc(N(C)CC[NH+](C)C)ccc1Cl ZINC000111148984 186359209 /nfs/dbraw/zinc/35/92/09/186359209.db2.gz GHXQRTCBJHSKFW-UHFFFAOYSA-N 1 3 284.835 2.232 10 0 CEAEHO CC[NH2+]C[C@](C)(CC)CN(C)C[C@@H]1CCCOC1 ZINC000111171832 186365351 /nfs/dbraw/zinc/36/53/51/186365351.db2.gz BPLFTLKUINCFSD-GJZGRUSLSA-N 1 3 256.434 2.371 10 0 CEAEHO CCNC[C@](C)(CC)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111171832 186365352 /nfs/dbraw/zinc/36/53/52/186365352.db2.gz BPLFTLKUINCFSD-GJZGRUSLSA-N 1 3 256.434 2.371 10 0 CEAEHO CCNC[C@](C)(CC)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111171832 186365354 /nfs/dbraw/zinc/36/53/54/186365354.db2.gz BPLFTLKUINCFSD-GJZGRUSLSA-N 1 3 256.434 2.371 10 0 CEAEHO CCN(CC)Cc1cccc(NC(=O)[C@H]2C[NH2+]C[C@H]2C)c1 ZINC000111266782 186383402 /nfs/dbraw/zinc/38/34/02/186383402.db2.gz UXXVGHPWXSQZIY-CJNGLKHVSA-N 1 3 289.423 2.322 10 0 CEAEHO Cc1ccc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)o1 ZINC000121096873 365523158 /nfs/dbraw/zinc/52/31/58/365523158.db2.gz HVYDIVDXUORYME-ZDUSSCGKSA-N 1 3 280.412 2.113 10 0 CEAEHO COc1ccccc1CCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000583982024 367123811 /nfs/dbraw/zinc/12/38/11/367123811.db2.gz FKLJIOJJRCMTTP-UKRRQHHQSA-N 1 3 262.397 2.215 10 0 CEAEHO COc1ccccc1CC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000583982024 367123816 /nfs/dbraw/zinc/12/38/16/367123816.db2.gz FKLJIOJJRCMTTP-UKRRQHHQSA-N 1 3 262.397 2.215 10 0 CEAEHO C[C@@H]1CN(Cc2ccc3ncccc3c2)C[C@@H]1C[NH3+] ZINC000635000367 369035193 /nfs/dbraw/zinc/03/51/93/369035193.db2.gz MWSRWJXJTXQOBH-DOMZBBRYSA-N 1 3 255.365 2.261 10 0 CEAEHO c1ccc2c(c1)nccc2N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261612418 371678083 /nfs/dbraw/zinc/67/80/83/371678083.db2.gz SPQMTWKCVZTQGD-JSGCOSHPSA-N 1 3 253.349 2.423 10 0 CEAEHO COCc1cccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261584690 371662263 /nfs/dbraw/zinc/66/22/63/371662263.db2.gz HXTSQLUYRXUONQ-JYJNAYRXSA-N 1 3 260.381 2.002 10 0 CEAEHO CC[NH2+][C@@H]1CCC[C@H](N2CCN(CC(C)C)CC2)C1 ZINC000093730336 184709634 /nfs/dbraw/zinc/70/96/34/184709634.db2.gz HJIUWIQJAQRNAD-CVEARBPZSA-N 1 3 267.461 2.181 10 0 CEAEHO [NH3+]C1CCN([C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000094361367 184789295 /nfs/dbraw/zinc/78/92/95/184789295.db2.gz PGBWCBUFRIKJGL-AWEZNQCLSA-N 1 3 252.402 2.291 10 0 CEAEHO NC1CC[NH+]([C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000094361367 184789296 /nfs/dbraw/zinc/78/92/96/184789296.db2.gz PGBWCBUFRIKJGL-AWEZNQCLSA-N 1 3 252.402 2.291 10 0 CEAEHO C[C@@H](NCCCn1cnc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400462900 533392860 /nfs/dbraw/zinc/39/28/60/533392860.db2.gz VCEQYFSFHCRQLA-ZIAGYGMSSA-N 1 3 272.396 2.014 10 0 CEAEHO C[NH+](C)[C@H]1CCCN(c2cccc(Cl)c2CN)C1 ZINC000091393822 135069006 /nfs/dbraw/zinc/06/90/06/135069006.db2.gz AUXJPXVEASCDSN-NSHDSACASA-N 1 3 267.804 2.329 10 0 CEAEHO NC(=[NH2+])c1c(F)cccc1N1CCN(C2CCCC2)CC1 ZINC000093408906 135080861 /nfs/dbraw/zinc/08/08/61/135080861.db2.gz ZUNDVTAVMQLOSR-UHFFFAOYSA-N 1 3 290.386 2.174 10 0 CEAEHO CCC[C@H](N)C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000236882102 394488659 /nfs/dbraw/zinc/48/86/59/394488659.db2.gz QJAPKRGHKWMCMC-INIZCTEOSA-N 1 3 291.439 2.272 10 0 CEAEHO CC[C@@](C)(O)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000249398469 394554948 /nfs/dbraw/zinc/55/49/48/394554948.db2.gz SFMPEBMRKUWOLL-HUUCEWRRSA-N 1 3 254.418 2.098 10 0 CEAEHO COc1cc(Br)ccc1[C@H](N)CCC[NH3+] ZINC000575438795 400609854 /nfs/dbraw/zinc/60/98/54/400609854.db2.gz APNWICJHZKDAGE-SNVBAGLBSA-N 1 3 273.174 2.196 10 0 CEAEHO CCC(C)(C)C1CCC(NC[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263209108 154034983 /nfs/dbraw/zinc/03/49/83/154034983.db2.gz KBYJOXLVTWTSNU-XSCHDIRWSA-N 1 3 268.445 2.151 10 0 CEAEHO CCC(C)(C)C1CCC([NH2+]C[C@H]2CNC[C@H]2O)CC1 ZINC000263209108 154034986 /nfs/dbraw/zinc/03/49/86/154034986.db2.gz KBYJOXLVTWTSNU-XSCHDIRWSA-N 1 3 268.445 2.151 10 0 CEAEHO CC[NH+](CC)CCCC(=O)Nc1ccccc1CN ZINC000022156539 171363169 /nfs/dbraw/zinc/36/31/69/171363169.db2.gz ASPUAPWQKRWNHI-UHFFFAOYSA-N 1 3 263.385 2.206 10 0 CEAEHO C[NH+](C)CCOc1c(Cl)cc(Cl)cc1CN ZINC000035661847 172339386 /nfs/dbraw/zinc/33/93/86/172339386.db2.gz JQNAYGGLWXIPAX-UHFFFAOYSA-N 1 3 263.168 2.393 10 0 CEAEHO CCOC1CC[NH+]([C@@H]2CCCCC[C@H]2CN)CC1 ZINC000040678499 174374560 /nfs/dbraw/zinc/37/45/60/174374560.db2.gz JMXXDVZRDXMIGS-DZGCQCFKSA-N 1 3 254.418 2.395 10 0 CEAEHO [NH3+]C1C[C@H]2CC[C@@H](C1)N2CCC(=O)Nc1cccc(F)c1 ZINC000040750226 174394765 /nfs/dbraw/zinc/39/47/65/174394765.db2.gz GNCIYSHMNCJUIE-LQDVMPOASA-N 1 3 291.370 2.108 10 0 CEAEHO CC(C)(C)N1CCN(CC2([NH3+])CCCCC2)CC1 ZINC000042463221 174752428 /nfs/dbraw/zinc/75/24/28/174752428.db2.gz DRQGORCUPPVSBP-UHFFFAOYSA-N 1 3 253.434 2.064 10 0 CEAEHO CC[C@H]([NH3+])[C@H](c1ccccn1)N1CCN(C(C)(C)C)CC1 ZINC000043340029 175013859 /nfs/dbraw/zinc/01/38/59/175013859.db2.gz UYGQAYURGMTQDQ-GOEBONIOSA-N 1 3 290.455 2.276 10 0 CEAEHO CCC[NH2+][C@H]1CCCC[C@@H]1N1CCN(C(C)C)CC1 ZINC000043897208 175119912 /nfs/dbraw/zinc/11/99/12/175119912.db2.gz WYRKVOVEBFGDFA-HOTGVXAUSA-N 1 3 267.461 2.323 10 0 CEAEHO CCC[NH2+][C@@H]1CCN(C[C@@H]2CCCOC2)C[C@@H]1C ZINC000044982048 175283531 /nfs/dbraw/zinc/28/35/31/175283531.db2.gz YKLSMQGZZOLZTI-SOUVJXGZSA-N 1 3 254.418 2.123 10 0 CEAEHO C[C@@H](C(=O)Nc1ccccc1C[NH3+])N(C)CC(C)(C)C ZINC000045068456 175299898 /nfs/dbraw/zinc/29/98/98/175299898.db2.gz JSCMFFNIURGUBH-LBPRGKRZSA-N 1 3 277.412 2.450 10 0 CEAEHO CC[NH2+][C@@H](C)c1cccc(NC(=O)NC[C@H](C)N(C)C)c1 ZINC000045113993 175310860 /nfs/dbraw/zinc/31/08/60/175310860.db2.gz JBFZYUFFIMZWJM-STQMWFEESA-N 1 3 292.427 2.429 10 0 CEAEHO CC(C)N1CC[C@H](C[NH2+]CC2(O)CCCCCC2)C1 ZINC000045134848 175312553 /nfs/dbraw/zinc/31/25/53/175312553.db2.gz BLDVKKFTWHMAFN-OAHLLOKOSA-N 1 3 268.445 2.392 10 0 CEAEHO CC[C@@H]1CSC(NC[C@@H]2CC[N@@H+](C(C)C)C2)=N1 ZINC000045136104 175313374 /nfs/dbraw/zinc/31/33/74/175313374.db2.gz FSDHSVFNMKMBTR-NWDGAFQWSA-N 1 3 255.431 2.188 10 0 CEAEHO CC[C@@H]1CSC(NC[C@@H]2CC[N@H+](C(C)C)C2)=N1 ZINC000045136104 175313375 /nfs/dbraw/zinc/31/33/75/175313375.db2.gz FSDHSVFNMKMBTR-NWDGAFQWSA-N 1 3 255.431 2.188 10 0 CEAEHO CCn1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCN(C)C2)c1C ZINC000045171422 175321166 /nfs/dbraw/zinc/32/11/66/175321166.db2.gz HDNZNXUBUOVSEB-BXUZGUMPSA-N 1 3 264.417 2.122 10 0 CEAEHO CC[C@@H]1CCC[C@@](C[NH3+])(N2CCN(CC3CC3)CC2)C1 ZINC000071123893 176035100 /nfs/dbraw/zinc/03/51/00/176035100.db2.gz KHWSCCJYFKKDGO-NVXWUHKLSA-N 1 3 279.472 2.312 10 0 CEAEHO CC[C@@H]1CCCC[C@@]1(C[NH3+])N(CCOC)[C@@H](C)COC ZINC000071161953 176046697 /nfs/dbraw/zinc/04/66/97/176046697.db2.gz HYZQBFNCZDTOBG-XHSDSOJGSA-N 1 3 286.460 2.267 10 0 CEAEHO CC[C@H]1CCCC[C@@]1(C[NH3+])N(CCOC)[C@@H](C)COC ZINC000071161954 176046767 /nfs/dbraw/zinc/04/67/67/176046767.db2.gz HYZQBFNCZDTOBG-JYJNAYRXSA-N 1 3 286.460 2.267 10 0 CEAEHO CN1CC[C@H](C[N@H+](C)[C@@H]2CCCc3ccccc3[C@@H]2N)C1 ZINC000071188730 176064004 /nfs/dbraw/zinc/06/40/04/176064004.db2.gz BFMZQFBQSASDJG-QGTPRVQTSA-N 1 3 287.451 2.275 10 0 CEAEHO CN1CC[C@H](C[N@@H+](C)[C@@H]2CCCc3ccccc3[C@@H]2N)C1 ZINC000071188730 176064006 /nfs/dbraw/zinc/06/40/06/176064006.db2.gz BFMZQFBQSASDJG-QGTPRVQTSA-N 1 3 287.451 2.275 10 0 CEAEHO CCNCc1cc(F)ccc1N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071190068 176065783 /nfs/dbraw/zinc/06/57/83/176065783.db2.gz GWFLSGXPGCGHQQ-ZDUSSCGKSA-N 1 3 279.403 2.323 10 0 CEAEHO CCNCc1cc(F)ccc1N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071190068 176065785 /nfs/dbraw/zinc/06/57/85/176065785.db2.gz GWFLSGXPGCGHQQ-ZDUSSCGKSA-N 1 3 279.403 2.323 10 0 CEAEHO CN[C@@H](CC[N@H+](C)C[C@@H]1CCN(C)C1)c1ccccc1F ZINC000071191262 176070366 /nfs/dbraw/zinc/07/03/66/176070366.db2.gz KAKFHANRMFQYAG-PBHICJAKSA-N 1 3 293.430 2.360 10 0 CEAEHO CN[C@@H](CC[N@@H+](C)C[C@@H]1CCN(C)C1)c1ccccc1F ZINC000071191262 176070367 /nfs/dbraw/zinc/07/03/67/176070367.db2.gz KAKFHANRMFQYAG-PBHICJAKSA-N 1 3 293.430 2.360 10 0 CEAEHO Cc1oc(CNC(C)C)cc1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192074 176073340 /nfs/dbraw/zinc/07/33/40/176073340.db2.gz RCUKHEOMODACEU-OAHLLOKOSA-N 1 3 293.455 2.470 10 0 CEAEHO Cc1oc(CNC(C)C)cc1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192074 176073342 /nfs/dbraw/zinc/07/33/42/176073342.db2.gz RCUKHEOMODACEU-OAHLLOKOSA-N 1 3 293.455 2.470 10 0 CEAEHO CC[C@@H](C)N1CCN(Cc2ccc(F)cc2C(N)=[NH2+])CC1 ZINC000071268009 176101723 /nfs/dbraw/zinc/10/17/23/176101723.db2.gz YWQYEJLZMHECGA-GFCCVEGCSA-N 1 3 292.402 2.026 10 0 CEAEHO COCCNCc1cc(C)ccc1OCC[NH+]1CCCC1 ZINC000071407454 176156129 /nfs/dbraw/zinc/15/61/29/176156129.db2.gz PMSQDLLNFYXJNQ-UHFFFAOYSA-N 1 3 292.423 2.206 10 0 CEAEHO CN(C)C[C@H]1CCCN1C(=O)CC[C@@H](CC[NH3+])C(C)(C)C ZINC000079293768 177466033 /nfs/dbraw/zinc/46/60/33/177466033.db2.gz MLBKBBZZIZKYEI-LSDHHAIUSA-N 1 3 297.487 2.330 10 0 CEAEHO CC(C)CN1CCN(C[C@H]2CC(C)(C)CC[C@H]2[NH3+])CC1 ZINC000079672232 177535059 /nfs/dbraw/zinc/53/50/59/177535059.db2.gz PPFXRVJYRUBIHH-HZPDHXFCSA-N 1 3 281.488 2.414 10 0 CEAEHO C[C@@H](NCCOCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000667006705 419510551 /nfs/dbraw/zinc/51/05/51/419510551.db2.gz UXYYTFMLIWQBFR-ZBFHGGJFSA-N 1 3 262.397 2.181 10 0 CEAEHO C[C@@H]([NH2+]CCOCc1ccccc1)[C@H]1CCCNC1 ZINC000667006705 419510561 /nfs/dbraw/zinc/51/05/61/419510561.db2.gz UXYYTFMLIWQBFR-ZBFHGGJFSA-N 1 3 262.397 2.181 10 0 CEAEHO c1ccc(CN2CCC[C@@H](N[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000252791964 275067169 /nfs/dbraw/zinc/06/71/69/275067169.db2.gz UTOCBQHCPAXJMO-ZWKOTPCHSA-N 1 3 287.451 2.383 10 0 CEAEHO CCC[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N(C)C ZINC000245729504 280258638 /nfs/dbraw/zinc/25/86/38/280258638.db2.gz YILRSVIEIFJHRT-HZPDHXFCSA-N 1 3 297.487 2.345 10 0 CEAEHO CCC[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)N(C)C ZINC000245729504 280258640 /nfs/dbraw/zinc/25/86/40/280258640.db2.gz YILRSVIEIFJHRT-HZPDHXFCSA-N 1 3 297.487 2.345 10 0 CEAEHO Cc1ccc2nccc(N3CCO[C@H](C[NH+](C)C)C3)c2c1 ZINC000185655199 281169637 /nfs/dbraw/zinc/16/96/37/281169637.db2.gz NLWGMSUFPCMIGF-CQSZACIVSA-N 1 3 285.391 2.310 10 0 CEAEHO CC(C)[NH2+]C[C@H](C(C)C)N1CCN(CC2CC2)CC1 ZINC000052372380 519724351 /nfs/dbraw/zinc/72/43/51/519724351.db2.gz MTWBMKMJDRAUTD-MRXNPFEDSA-N 1 3 267.461 2.037 10 0 CEAEHO CC(C)[NH2+]C[C@H]1CC[C@H](COCCN2CCCCC2)O1 ZINC000052671037 519725835 /nfs/dbraw/zinc/72/58/35/519725835.db2.gz OBSXTIHLZXQREI-HZPDHXFCSA-N 1 3 284.444 2.035 10 0 CEAEHO CCC[NH2+]C[C@@H](C)CN1CCN([C@H](C)CC)CC1 ZINC000055074703 519920491 /nfs/dbraw/zinc/92/04/91/519920491.db2.gz KYFYZGTWASWYBQ-HUUCEWRRSA-N 1 3 255.450 2.038 10 0 CEAEHO CCN(CC1CC1)C[C@]1(C[NH2+]C(C)C)CCOC1 ZINC000069239952 520958230 /nfs/dbraw/zinc/95/82/30/520958230.db2.gz FVDPHRDUQZMSOC-OAHLLOKOSA-N 1 3 254.418 2.123 10 0 CEAEHO CC[N@H+](CC1CC1)C[C@]1(CNC(C)C)CCOC1 ZINC000069239952 520958236 /nfs/dbraw/zinc/95/82/36/520958236.db2.gz FVDPHRDUQZMSOC-OAHLLOKOSA-N 1 3 254.418 2.123 10 0 CEAEHO CC[N@@H+](CC1CC1)C[C@]1(CNC(C)C)CCOC1 ZINC000069239952 520958242 /nfs/dbraw/zinc/95/82/42/520958242.db2.gz FVDPHRDUQZMSOC-OAHLLOKOSA-N 1 3 254.418 2.123 10 0 CEAEHO CCOC1CCN(C[C@@H]2CC[C@@H](C[NH2+]C(C)C)O2)CC1 ZINC000052484089 521656234 /nfs/dbraw/zinc/65/62/34/521656234.db2.gz LANLARQSKYOCCU-HOTGVXAUSA-N 1 3 284.444 2.033 10 0 CEAEHO CCCN(CCN(C)C)[C@@H](C[NH3+])CCc1ccccc1 ZINC000061625100 521657849 /nfs/dbraw/zinc/65/78/49/521657849.db2.gz LLIWENLMERYKGC-QGZVFWFLSA-N 1 3 277.456 2.220 10 0 CEAEHO CCN1CCN([C@@H](C)CCC[NH2+]CC(C)C)CC1 ZINC000052422445 521690926 /nfs/dbraw/zinc/69/09/26/521690926.db2.gz OMXYUHPIPAUTHY-HNNXBMFYSA-N 1 3 255.450 2.038 10 0 CEAEHO C[C@H](NCCCn1cnc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400462898 533854637 /nfs/dbraw/zinc/85/46/37/533854637.db2.gz VCEQYFSFHCRQLA-UONOGXRCSA-N 1 3 272.396 2.014 10 0 CEAEHO CC(C)(C)N1CCN([C@H](CC[NH3+])c2ccccc2)CC1 ZINC000055016544 518713764 /nfs/dbraw/zinc/71/37/64/518713764.db2.gz ZLVUREDEQGXCGD-MRXNPFEDSA-N 1 3 275.440 2.493 10 0 CEAEHO CC(C)(C)[NH2+]CCCCN1CCO[C@H]2CCC[C@@H]21 ZINC000052540103 518754601 /nfs/dbraw/zinc/75/46/01/518754601.db2.gz AUBBGVPDIJMLIL-KBPBESRZSA-N 1 3 254.418 2.408 10 0 CEAEHO CC(C)CN(CCN(C)C)[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052503248 519716696 /nfs/dbraw/zinc/71/66/96/519716696.db2.gz IITCNBDSGOJSQC-INIZCTEOSA-N 1 3 269.477 2.283 10 0 CEAEHO CC(C)[NH2+]CC1(CN2CC[C@@H](C)C2)CCOCC1 ZINC000052182188 519720210 /nfs/dbraw/zinc/72/02/10/519720210.db2.gz MQSWHLPLVXLQDK-CQSZACIVSA-N 1 3 254.418 2.123 10 0 CEAEHO CC(C)CN1CCN(CC[NH2+]CCc2ccsc2)CC1 ZINC000055076069 519726201 /nfs/dbraw/zinc/72/62/01/519726201.db2.gz YEMDPQMVEKASBB-UHFFFAOYSA-N 1 3 295.496 2.154 10 0 CEAEHO CC(C)[NH2+]Cc1ccoc1CN1CCN(CC2CC2)CC1 ZINC000052372442 519728056 /nfs/dbraw/zinc/72/80/56/519728056.db2.gz YBEANOGWORWFDE-UHFFFAOYSA-N 1 3 291.439 2.305 10 0 CEAEHO CC(C)CNCc1ccc(COCC[NH+](C)C)o1 ZINC000052669571 519747008 /nfs/dbraw/zinc/74/70/08/519747008.db2.gz VIZRKEPKYPQPIY-UHFFFAOYSA-N 1 3 254.374 2.103 10 0 CEAEHO CC(C)[C@@H](CN(C)C)[NH2+]C1CCN(C(C)C)CC1 ZINC000049195238 519793537 /nfs/dbraw/zinc/79/35/37/519793537.db2.gz GJZVHLXSOWQLBT-OAHLLOKOSA-N 1 3 255.450 2.035 10 0 CEAEHO CCC1CCN(CC2(C[NH2+]C)CCOCC2)CC1 ZINC000052197908 519859294 /nfs/dbraw/zinc/85/92/94/519859294.db2.gz HBNNDKLSAGUSHP-UHFFFAOYSA-N 1 3 254.418 2.125 10 0 CEAEHO CCC[NH2+]CC[C@H](C)N1CCN(CC(C)C)CC1 ZINC000055083095 519919485 /nfs/dbraw/zinc/91/94/85/519919485.db2.gz MXPHKZVWDLRDSE-HNNXBMFYSA-N 1 3 255.450 2.038 10 0 CEAEHO CCC[NH2+]C[C@@H](C(C)C)N1CCN(C(C)(C)C)CC1 ZINC000052571553 519920680 /nfs/dbraw/zinc/92/06/80/519920680.db2.gz YIRQJYCCBQXSNJ-HNNXBMFYSA-N 1 3 269.477 2.427 10 0 CEAEHO CCC[NH2+]Cc1ccc(CN(CCOC)CCOC)cc1 ZINC000052571474 519947401 /nfs/dbraw/zinc/94/74/01/519947401.db2.gz XLPQZDQQYCXCTJ-UHFFFAOYSA-N 1 3 294.439 2.281 10 0 CEAEHO CCC[NH2+]Cc1ccccc1OCCN(C)CCOC ZINC000052572845 519957037 /nfs/dbraw/zinc/95/70/37/519957037.db2.gz SCRRHQXPBIQOGT-UHFFFAOYSA-N 1 3 280.412 2.143 10 0 CEAEHO CCC[NH2+][C@@H](CC)CN1CCN(CC(C)C)CC1 ZINC000055078682 519990435 /nfs/dbraw/zinc/99/04/35/519990435.db2.gz KKIRGXMFUGRFOH-HNNXBMFYSA-N 1 3 255.450 2.038 10 0 CEAEHO CCNc1ccc(CN2CCC(C[NH+](C)C)CC2)cn1 ZINC000050815617 520301510 /nfs/dbraw/zinc/30/15/10/520301510.db2.gz YDQQSHOHICWVMI-UHFFFAOYSA-N 1 3 276.428 2.287 10 0 CEAEHO CCN1CCC(N(C)c2ncc([C@H](C)[NH2+]C)s2)CC1 ZINC000054908115 521569737 /nfs/dbraw/zinc/56/97/37/521569737.db2.gz FHJGAMSZIMCJCQ-NSHDSACASA-N 1 3 282.457 2.344 10 0 CEAEHO CN(C)C[C@@H]1CCCN1CC[NH2+]CCC(C)(C)C ZINC000061655221 521839072 /nfs/dbraw/zinc/83/90/72/521839072.db2.gz KPZQTRMSVDHBPG-AWEZNQCLSA-N 1 3 255.450 2.038 10 0 CEAEHO C[NH+](C)C[C@@H]1CCCN1Cc1ccc(CNC2CC2)o1 ZINC000061654493 521841145 /nfs/dbraw/zinc/84/11/45/521841145.db2.gz ZYNAAXBREIVOFF-AWEZNQCLSA-N 1 3 277.412 2.058 10 0 CEAEHO CCc1ccccc1[C@H](CN)N1CCC([NH+](C)C)CC1 ZINC000052203569 521953352 /nfs/dbraw/zinc/95/33/52/521953352.db2.gz UTTZUAUGQPSVLH-KRWDZBQOSA-N 1 3 275.440 2.275 10 0 CEAEHO CC[C@@H](C)N1CCN(CC[NH2+][C@@H](C)C(C)C)CC1 ZINC000055075015 522121002 /nfs/dbraw/zinc/12/10/02/522121002.db2.gz DXLDMYGLRRGGSZ-CABCVRRESA-N 1 3 255.450 2.037 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C[NH3+])c2ccc(C)cc2)CC1 ZINC000055063762 522130722 /nfs/dbraw/zinc/13/07/22/522130722.db2.gz XYWINYJDFLLRBJ-NVXWUHKLSA-N 1 3 275.440 2.411 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C)CC[NH2+]C(C)C)CC1 ZINC000055074861 522131304 /nfs/dbraw/zinc/13/13/04/522131304.db2.gz COSMQQBCHYXYEI-HUUCEWRRSA-N 1 3 255.450 2.179 10 0 CEAEHO C[NH2+]Cc1ccccc1CN1CCN(C2CCCC2)CC1 ZINC000052573551 522136502 /nfs/dbraw/zinc/13/65/02/522136502.db2.gz WYHWJSVCBMVNNC-UHFFFAOYSA-N 1 3 287.451 2.466 10 0 CEAEHO CN(C)c1ccncc1NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050943712 522310863 /nfs/dbraw/zinc/31/08/63/522310863.db2.gz LZXGQYKOVPIHFY-LBPRGKRZSA-N 1 3 276.384 2.008 10 0 CEAEHO CN(CC1(C[NH2+]C(C)(C)C)CCOCC1)C1CCOCC1 ZINC000052181925 522592277 /nfs/dbraw/zinc/59/22/77/522592277.db2.gz YJHWSQZGVNSJCS-UHFFFAOYSA-N 1 3 298.471 2.282 10 0 CEAEHO COC1CCN(Cc2ccoc2C[NH2+]C(C)C)CC1 ZINC000052455244 522708003 /nfs/dbraw/zinc/70/80/03/522708003.db2.gz QXHPGZIJKUDQBN-UHFFFAOYSA-N 1 3 266.385 2.388 10 0 CEAEHO CC[C@](C)(C[NH2+]C1CC1)CN1CCN(CC(C)C)CC1 ZINC000055081756 523464394 /nfs/dbraw/zinc/46/43/94/523464394.db2.gz ZOUNCVIHJGFUIP-QGZVFWFLSA-N 1 3 281.488 2.428 10 0 CEAEHO COCCNCc1cc(Cl)ccc1OCC[NH+](C)C ZINC000062730997 523948378 /nfs/dbraw/zinc/94/83/78/523948378.db2.gz MBPGZWCDVPUAII-UHFFFAOYSA-N 1 3 286.803 2.016 10 0 CEAEHO CC[C@H](C)N1CCN(CC[NH2+]CCc2ccsc2)CC1 ZINC000055075480 523954704 /nfs/dbraw/zinc/95/47/04/523954704.db2.gz VDRHADNDNBOBMG-HNNXBMFYSA-N 1 3 295.496 2.296 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000055063994 523957637 /nfs/dbraw/zinc/95/76/37/523957637.db2.gz KCECECIUHPOVGD-BBRMVZONSA-N 1 3 279.403 2.242 10 0 CEAEHO C[C@@H]1CCC[N@H+](CC2(CNC3CC3)CCOCC2)C1 ZINC000052180801 524219427 /nfs/dbraw/zinc/21/94/27/524219427.db2.gz YCVNKYXROCYFKG-CQSZACIVSA-N 1 3 266.429 2.267 10 0 CEAEHO C[C@@H]1CCC[N@@H+](CC2(CNC3CC3)CCOCC2)C1 ZINC000052180801 524219428 /nfs/dbraw/zinc/21/94/28/524219428.db2.gz YCVNKYXROCYFKG-CQSZACIVSA-N 1 3 266.429 2.267 10 0 CEAEHO C[C@@H]1CCCN(CC2(C[NH2+]C3CC3)CCOCC2)C1 ZINC000052180801 524219430 /nfs/dbraw/zinc/21/94/30/524219430.db2.gz YCVNKYXROCYFKG-CQSZACIVSA-N 1 3 266.429 2.267 10 0 CEAEHO C[C@@H](C[NH2+]C1CCCCC1)N1CCC[C@@H]1CN(C)C ZINC000061655064 524736322 /nfs/dbraw/zinc/73/63/22/524736322.db2.gz SLUAVPKIAVLMLM-GOEBONIOSA-N 1 3 267.461 2.323 10 0 CEAEHO Cc1ccc([C@H](CN)N2CCC[C@@H]2C[NH+](C)C)s1 ZINC000061642062 525951443 /nfs/dbraw/zinc/95/14/43/525951443.db2.gz DHCQHUSJZWKWQG-OLZOCXBDSA-N 1 3 267.442 2.082 10 0 CEAEHO Cc1ccc([C@H]([NH3+])CN2CCN(CC(C)C)CC2)cc1 ZINC000055079035 525961121 /nfs/dbraw/zinc/96/11/21/525961121.db2.gz MRCQKNWUKSGABG-QGZVFWFLSA-N 1 3 275.440 2.268 10 0 CEAEHO Cc1oc(CN(C)CCc2ccncc2)cc1C[NH3+] ZINC000052483087 526769326 /nfs/dbraw/zinc/76/93/26/526769326.db2.gz QMBZWOYKUZTUON-UHFFFAOYSA-N 1 3 259.353 2.116 10 0 CEAEHO NC(=[NH2+])C[C@H](c1ccccc1)N1CCCC[C@@H]1CCO ZINC000055022531 526818052 /nfs/dbraw/zinc/81/80/52/526818052.db2.gz VURIRHBENCPOER-HUUCEWRRSA-N 1 3 275.396 2.291 10 0 CEAEHO CC[NH2+]Cc1cccc(N2C[C@@H]3CCCCN3C[C@@H]2C)n1 ZINC000094443318 535479699 /nfs/dbraw/zinc/47/96/99/535479699.db2.gz RMFCFGRTIREVGQ-HOCLYGCPSA-N 1 3 288.439 2.254 10 0 CEAEHO CC(C)[C@@H]1N[C@]2(CCC[N@H+](C)CC2)OCC1(C)C ZINC000757142662 574510248 /nfs/dbraw/zinc/51/02/48/574510248.db2.gz DGASPWYKVFWDAY-DZGCQCFKSA-N 1 3 254.418 2.469 10 0 CEAEHO CC(C)[C@@H]1N[C@]2(CCC[N@@H+](C)CC2)OCC1(C)C ZINC000757142662 574510250 /nfs/dbraw/zinc/51/02/50/574510250.db2.gz DGASPWYKVFWDAY-DZGCQCFKSA-N 1 3 254.418 2.469 10 0 CEAEHO CC(C)[C@@H]1[NH2+][C@]2(CCCN(C)CC2)OCC1(C)C ZINC000757142662 574510251 /nfs/dbraw/zinc/51/02/51/574510251.db2.gz DGASPWYKVFWDAY-DZGCQCFKSA-N 1 3 254.418 2.469 10 0 CEAEHO CC(C)[C@H]1N[C@@]2(CCC[N@H+](C)CC2)OCC1(C)C ZINC000757142689 574510303 /nfs/dbraw/zinc/51/03/03/574510303.db2.gz DGASPWYKVFWDAY-HIFRSBDPSA-N 1 3 254.418 2.469 10 0 CEAEHO CC(C)[C@H]1N[C@@]2(CCC[N@@H+](C)CC2)OCC1(C)C ZINC000757142689 574510304 /nfs/dbraw/zinc/51/03/04/574510304.db2.gz DGASPWYKVFWDAY-HIFRSBDPSA-N 1 3 254.418 2.469 10 0 CEAEHO CC(C)[C@H]1[NH2+][C@@]2(CCCN(C)CC2)OCC1(C)C ZINC000757142689 574510305 /nfs/dbraw/zinc/51/03/05/574510305.db2.gz DGASPWYKVFWDAY-HIFRSBDPSA-N 1 3 254.418 2.469 10 0 CEAEHO CC[NH+]1CCC2(CC1)N[C@@H](C(C)C)C(C)(C)CO2 ZINC000757150350 574510731 /nfs/dbraw/zinc/51/07/31/574510731.db2.gz PMDGQJLGDQTARA-ZDUSSCGKSA-N 1 3 254.418 2.469 10 0 CEAEHO CCN1CCC2(CC1)[NH2+][C@@H](C(C)C)C(C)(C)CO2 ZINC000757150350 574510732 /nfs/dbraw/zinc/51/07/32/574510732.db2.gz PMDGQJLGDQTARA-ZDUSSCGKSA-N 1 3 254.418 2.469 10 0 CEAEHO CCN(CC)[C@H](CNC1CC[NH2+]CC1)c1ccccc1 ZINC000038040514 361985643 /nfs/dbraw/zinc/98/56/43/361985643.db2.gz QDYWHFMGXPJCDZ-QGZVFWFLSA-N 1 3 275.440 2.411 10 0 CEAEHO Cc1c(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cnn1C ZINC000336720594 365785015 /nfs/dbraw/zinc/78/50/15/365785015.db2.gz UILGGJYAAXGFCG-QGZVFWFLSA-N 1 3 298.434 2.340 10 0 CEAEHO Cc1cc(N2CCO[C@@H]([C@H](C)[NH3+])C2)c2ccccc2n1 ZINC000228375079 539338638 /nfs/dbraw/zinc/33/86/38/539338638.db2.gz SIINFYDKINVCAI-BLLLJJGKSA-N 1 3 271.364 2.096 10 0 CEAEHO COc1cccc([C@@]23CCN(C)[C@@H](C[C@@H]([NH3+])C2)C3)c1 ZINC000584624859 344968356 /nfs/dbraw/zinc/96/83/56/344968356.db2.gz FSEJGVIGKUJPSS-YCPHGPKFSA-N 1 3 260.381 2.148 10 0 CEAEHO CN(C)Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085364037 179035465 /nfs/dbraw/zinc/03/54/65/179035465.db2.gz XFTRLNGOADSYGF-CABCVRRESA-N 1 3 275.396 2.204 10 0 CEAEHO CC[NH+]1CCC(CN2CCN[C@H](c3ccccc3)C2)CC1 ZINC000086145725 179238851 /nfs/dbraw/zinc/23/88/51/179238851.db2.gz KGAZNWSCDHYSPJ-SFHVURJKSA-N 1 3 287.451 2.365 10 0 CEAEHO CN1CCC[C@@H](C[N@@H+]2CCN[C@@](C)(c3ccccc3)C2)C1 ZINC000086145745 179239139 /nfs/dbraw/zinc/23/91/39/179239139.db2.gz JBQKDJPNUOPXAF-SJLPKXTDSA-N 1 3 287.451 2.149 10 0 CEAEHO CN1CCC[C@@H](C[N@H+]2CCN[C@@](C)(c3ccccc3)C2)C1 ZINC000086145745 179239140 /nfs/dbraw/zinc/23/91/40/179239140.db2.gz JBQKDJPNUOPXAF-SJLPKXTDSA-N 1 3 287.451 2.149 10 0 CEAEHO CC[C@H]1CNC2(CCCC2)C[N@@H+]1C[C@@H]1CCN(CC)C1 ZINC000086223043 179250572 /nfs/dbraw/zinc/25/05/72/179250572.db2.gz QULBKMIHSUVPOB-CVEARBPZSA-N 1 3 279.472 2.325 10 0 CEAEHO CC[C@H]1CNC2(CCCC2)C[N@H+]1C[C@@H]1CCN(CC)C1 ZINC000086223043 179250573 /nfs/dbraw/zinc/25/05/73/179250573.db2.gz QULBKMIHSUVPOB-CVEARBPZSA-N 1 3 279.472 2.325 10 0 CEAEHO C[C@H]1C[NH2+][C@H](C2CCCCC2)CN1[C@@H]1CCCN(C)C1 ZINC000086223957 179253401 /nfs/dbraw/zinc/25/34/01/179253401.db2.gz HMRFOEJLMKOTKM-UAGQMJEPSA-N 1 3 279.472 2.323 10 0 CEAEHO C[C@H]1C[NH2+][C@@H](C2CCCCC2)CN1[C@@H]1CCCN(C)C1 ZINC000086223959 179253933 /nfs/dbraw/zinc/25/39/33/179253933.db2.gz HMRFOEJLMKOTKM-USXIJHARSA-N 1 3 279.472 2.323 10 0 CEAEHO C[C@@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CCCCN1C ZINC000086259357 179257714 /nfs/dbraw/zinc/25/77/14/179257714.db2.gz FNJLZPVCPZPIQI-CABCVRRESA-N 1 3 265.445 2.077 10 0 CEAEHO C[C@H]1C[C@H]([NH2+][C@@H](CN(C)C)c2ccccc2)CCN1C ZINC000129854017 365900543 /nfs/dbraw/zinc/90/05/43/365900543.db2.gz IXNRRRANGGKUPG-UAGQMJEPSA-N 1 3 275.440 2.362 10 0 CEAEHO CC[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1[C@@H](C)CCN(C)C ZINC000086255750 179256646 /nfs/dbraw/zinc/25/66/46/179256646.db2.gz NYIKUNFHZDYTPY-ZNMIVQPWSA-N 1 3 269.477 2.425 10 0 CEAEHO CC[C@@H]1CN[C@H](C(C)(C)C)C[N@H+]1[C@@H](C)CCN(C)C ZINC000086255750 179256649 /nfs/dbraw/zinc/25/66/49/179256649.db2.gz NYIKUNFHZDYTPY-ZNMIVQPWSA-N 1 3 269.477 2.425 10 0 CEAEHO CC[C@@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1CC1CCN(C)CC1 ZINC000086259010 179257131 /nfs/dbraw/zinc/25/71/31/179257131.db2.gz JDZGONGKYRXWRD-HZPDHXFCSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@@H]1CN[C@@H](C(C)(C)C)C[N@H+]1CC1CCN(C)CC1 ZINC000086259010 179257134 /nfs/dbraw/zinc/25/71/34/179257134.db2.gz JDZGONGKYRXWRD-HZPDHXFCSA-N 1 3 281.488 2.427 10 0 CEAEHO CCC1(CC)CN(C[C@H]2CCCOC2)CCC[NH2+]1 ZINC000086292524 179266169 /nfs/dbraw/zinc/26/61/69/179266169.db2.gz SEFNFBOMMHFBNF-CQSZACIVSA-N 1 3 254.418 2.267 10 0 CEAEHO C[NH+](C)CC1CCN(c2nc3c(s2)CCC[C@@H]3N)CC1 ZINC000086443421 179293730 /nfs/dbraw/zinc/29/37/30/179293730.db2.gz GOOAPOCNNPNXCY-LBPRGKRZSA-N 1 3 294.468 2.257 10 0 CEAEHO CC(C)N(CCNC1=[NH+]C[C@@H](C)CS1)C(C)C ZINC000086632235 179314728 /nfs/dbraw/zinc/31/47/28/179314728.db2.gz RXFLGBLJFFDGJT-GFCCVEGCSA-N 1 3 257.447 2.434 10 0 CEAEHO CN(C)[C@@H](CN[C@@H]1CCC[N@H+](C)CC1)c1ccccc1 ZINC000086817200 179344544 /nfs/dbraw/zinc/34/45/44/179344544.db2.gz RWQZACIQPPRCGH-SJORKVTESA-N 1 3 275.440 2.363 10 0 CEAEHO CN(C)[C@@H](CN[C@@H]1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000086817200 179344546 /nfs/dbraw/zinc/34/45/46/179344546.db2.gz RWQZACIQPPRCGH-SJORKVTESA-N 1 3 275.440 2.363 10 0 CEAEHO CN(C)[C@@H](C[NH2+][C@@H]1CCCN(C)CC1)c1ccccc1 ZINC000086817200 179344547 /nfs/dbraw/zinc/34/45/47/179344547.db2.gz RWQZACIQPPRCGH-SJORKVTESA-N 1 3 275.440 2.363 10 0 CEAEHO CCC(CC)[C@@H](C[NH2+][C@@H]1CCCN(C)CC1)N(C)C ZINC000086817433 179344595 /nfs/dbraw/zinc/34/45/95/179344595.db2.gz AAABTIGNWLUIFL-HZPDHXFCSA-N 1 3 269.477 2.427 10 0 CEAEHO CCN1CCC[C@@H]([NH2+]CCCOC[C@@H]2CCCO2)CC1 ZINC000086836705 179351673 /nfs/dbraw/zinc/35/16/73/179351673.db2.gz GGWIIWWGSYUUET-CVEARBPZSA-N 1 3 284.444 2.036 10 0 CEAEHO CC[C@H](C)NC(=O)CCN[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086841979 179353941 /nfs/dbraw/zinc/35/39/41/179353941.db2.gz IJRVVUULCVGYGO-GJZGRUSLSA-N 1 3 283.460 2.144 10 0 CEAEHO CC[C@H](C)NC(=O)CCN[C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086841979 179353943 /nfs/dbraw/zinc/35/39/43/179353943.db2.gz IJRVVUULCVGYGO-GJZGRUSLSA-N 1 3 283.460 2.144 10 0 CEAEHO CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCCN(C(C)C)CC1 ZINC000086841979 179353945 /nfs/dbraw/zinc/35/39/45/179353945.db2.gz IJRVVUULCVGYGO-GJZGRUSLSA-N 1 3 283.460 2.144 10 0 CEAEHO CC1(C)CCC[C@](CO)(N2CCC[NH2+]CC2)CC1 ZINC000086920924 179368185 /nfs/dbraw/zinc/36/81/85/179368185.db2.gz XIZXDQBGOIYTNV-HNNXBMFYSA-N 1 3 254.418 2.003 10 0 CEAEHO C[C@H](COCc1ccccc1)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400445065 233177500 /nfs/dbraw/zinc/17/75/00/233177500.db2.gz NLQPORCVRUGIAN-YCPHGPKFSA-N 1 3 262.397 2.179 10 0 CEAEHO C[C@H](COCc1ccccc1)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400445062 233177510 /nfs/dbraw/zinc/17/75/10/233177510.db2.gz NLQPORCVRUGIAN-IIAWOOMASA-N 1 3 262.397 2.179 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[NH+]1CCc2ccccc2CC1 ZINC000090567112 180006341 /nfs/dbraw/zinc/00/63/41/180006341.db2.gz HWNPDSOPLSWZMX-ZWKOTPCHSA-N 1 3 288.435 2.102 10 0 CEAEHO CCC[NH2+][C@@H]1COC[C@@H]1CN1CCc2ccccc2CC1 ZINC000090567112 180006342 /nfs/dbraw/zinc/00/63/42/180006342.db2.gz HWNPDSOPLSWZMX-ZWKOTPCHSA-N 1 3 288.435 2.102 10 0 CEAEHO CN(CCCOCC(F)(F)F)CC[C@@H]1CCCC[NH2+]1 ZINC000090693313 180025625 /nfs/dbraw/zinc/02/56/25/180025625.db2.gz GAYOSBRNOFRIJD-LBPRGKRZSA-N 1 3 282.350 2.419 10 0 CEAEHO CCC[NH2+][C@@H](C)C(C)(C)CN1CCCN(C)CC1 ZINC000091402636 180146976 /nfs/dbraw/zinc/14/69/76/180146976.db2.gz UCTCNPYUGPPSGZ-AWEZNQCLSA-N 1 3 255.450 2.038 10 0 CEAEHO CC[C@@](C)([C@@H](N)Cc1cnccc1N)[NH+]1CCCCC1 ZINC000091609047 180205850 /nfs/dbraw/zinc/20/58/50/180205850.db2.gz LSSQHKXFLOOOAX-HOTGVXAUSA-N 1 3 276.428 2.188 10 0 CEAEHO CC[C@@](C)([C@@H]([NH3+])Cc1cnccc1N)N1CCCCC1 ZINC000091609047 180205852 /nfs/dbraw/zinc/20/58/52/180205852.db2.gz LSSQHKXFLOOOAX-HOTGVXAUSA-N 1 3 276.428 2.188 10 0 CEAEHO CCC[NH2+][C@H](Cc1cnccc1N)C1(N(C)C)CCCC1 ZINC000091638302 180212580 /nfs/dbraw/zinc/21/25/80/180212580.db2.gz JTSCWUKCDVIQCO-MRXNPFEDSA-N 1 3 290.455 2.449 10 0 CEAEHO CCN(CC)CC[C@@H]([NH3+])Cc1ncc(C)c(OC)c1C ZINC000091715721 180232173 /nfs/dbraw/zinc/23/21/73/180232173.db2.gz MJNUGWGQQANNOX-CQSZACIVSA-N 1 3 279.428 2.309 10 0 CEAEHO COC(=O)c1oc(CN(C)C2CCC([NH3+])CC2)cc1C ZINC000091847622 180270866 /nfs/dbraw/zinc/27/08/66/180270866.db2.gz VAABTZDFKIGNPQ-UHFFFAOYSA-N 1 3 280.368 2.076 10 0 CEAEHO CCN(Cc1cncn1C1CC1)C1CCC([NH3+])CC1 ZINC000091849924 180272005 /nfs/dbraw/zinc/27/20/05/180272005.db2.gz KAORYJUNWNCFMC-UHFFFAOYSA-N 1 3 262.401 2.310 10 0 CEAEHO CCC[NH2+]C1CCC(N(C)[C@H](C)C(=O)N2CCCC2)CC1 ZINC000091870157 180276900 /nfs/dbraw/zinc/27/69/00/180276900.db2.gz YVBRRDZUWZYNBZ-QQFBHYJXSA-N 1 3 295.471 2.240 10 0 CEAEHO CC[NH2+]C1CCC(N(C)[C@H](C)C(=O)N2CCCCC2)CC1 ZINC000091870447 180277555 /nfs/dbraw/zinc/27/75/55/180277555.db2.gz RMAUFOAYGAMGIZ-QQFBHYJXSA-N 1 3 295.471 2.240 10 0 CEAEHO CCN(CC)CCc1noc([C@@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000109495991 186256270 /nfs/dbraw/zinc/25/62/70/186256270.db2.gz KAKWEQCMVPCNLW-OLZOCXBDSA-N 1 3 280.416 2.329 10 0 CEAEHO COC(=O)C[C@@H]1CCCCN1Cc1ccc(C[NH3+])cc1 ZINC000109604095 186267568 /nfs/dbraw/zinc/26/75/68/186267568.db2.gz JVQUBNBVCQJSQZ-HNNXBMFYSA-N 1 3 276.380 2.063 10 0 CEAEHO CC[NH+](CC)CCCn1c(N)nc2cc(F)c(OC)cc21 ZINC000110629317 186308055 /nfs/dbraw/zinc/30/80/55/186308055.db2.gz VLSMPUWSAQNVHW-UHFFFAOYSA-N 1 3 294.374 2.498 10 0 CEAEHO COc1ccc(F)cc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000110650745 186310906 /nfs/dbraw/zinc/31/09/06/186310906.db2.gz PPLRKOWFCBNHEO-NSHDSACASA-N 1 3 266.360 2.394 10 0 CEAEHO CC[C@H]([C@@H]([NH3+])c1ccccc1)N1CCN(C)C(C)(C)C1 ZINC000110716311 186315277 /nfs/dbraw/zinc/31/52/77/186315277.db2.gz KPPMPLTZOGSVQU-CVEARBPZSA-N 1 3 275.440 2.491 10 0 CEAEHO CC(C)[C@@H]([C@H](N)c1ccccc1)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000110712764 186316727 /nfs/dbraw/zinc/31/67/27/186316727.db2.gz CIFKFJVQHZIIJY-UAGQMJEPSA-N 1 3 275.440 2.347 10 0 CEAEHO CC(C)[C@@H]([C@H](N)c1ccccc1)[N@H+]1CCN(C)[C@@H](C)C1 ZINC000110712764 186316729 /nfs/dbraw/zinc/31/67/29/186316729.db2.gz CIFKFJVQHZIIJY-UAGQMJEPSA-N 1 3 275.440 2.347 10 0 CEAEHO CC[C@@H]1CN(CC(C)(C)C[NH2+]C(C)(C)C)CCN1C ZINC000110746635 186318677 /nfs/dbraw/zinc/31/86/77/186318677.db2.gz BADRINYJVJMZGP-CQSZACIVSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@H]1CN(CC(CC)(CC)C[NH2+]C)CCN1C ZINC000110746652 186318998 /nfs/dbraw/zinc/31/89/98/186318998.db2.gz HGALBVYCSVUIHS-AWEZNQCLSA-N 1 3 255.450 2.038 10 0 CEAEHO CCN1CCN(CC[NH2+][C@@H](C)c2cccs2)C[C@@H]1C ZINC000110756611 186319650 /nfs/dbraw/zinc/31/96/50/186319650.db2.gz GFWWNQWLCXVUBG-KBPBESRZSA-N 1 3 281.469 2.425 10 0 CEAEHO CCC[C@](C)(C[NH2+]C)CN1CCN(C)C(C)(C)C1 ZINC000110747088 186319723 /nfs/dbraw/zinc/31/97/23/186319723.db2.gz FKEVJRBTIPFYLU-OAHLLOKOSA-N 1 3 255.450 2.038 10 0 CEAEHO CC[C@@](C)(C[NH2+]C1CC1)CN1CCN(C)C(C)(C)C1 ZINC000110747277 186320309 /nfs/dbraw/zinc/32/03/09/186320309.db2.gz ZXAONFYHUHRNDX-INIZCTEOSA-N 1 3 267.461 2.181 10 0 CEAEHO CCC[C@@](C)(C[NH2+]CC)CN1CCN(C)C(C)(C)C1 ZINC000110747093 186320684 /nfs/dbraw/zinc/32/06/84/186320684.db2.gz WTSXKSNZPHOMMM-INIZCTEOSA-N 1 3 269.477 2.428 10 0 CEAEHO CC[NH2+]C[C@@](C)(CC)CN1CCN(C)C(C)(C)C1 ZINC000110747257 186320867 /nfs/dbraw/zinc/32/08/67/186320867.db2.gz RCXRUXKZKSKPID-OAHLLOKOSA-N 1 3 255.450 2.038 10 0 CEAEHO CN(CCC[NH+](C)C)[C@H](CN)c1cccc(Cl)c1 ZINC000111131554 186356410 /nfs/dbraw/zinc/35/64/10/186356410.db2.gz WFMWQXNWJGKVJB-CQSZACIVSA-N 1 3 269.820 2.223 10 0 CEAEHO CC[NH2+][C@@H](CN(C)CCN(C)C)c1ccc(C)cc1 ZINC000111134911 186356959 /nfs/dbraw/zinc/35/69/59/186356959.db2.gz RGIDRFAPDGEITP-INIZCTEOSA-N 1 3 263.429 2.139 10 0 CEAEHO C[NH2+][C@H](CN(C)CCN(C)C)c1ccc(OC(C)C)cc1 ZINC000111135140 186357714 /nfs/dbraw/zinc/35/77/14/186357714.db2.gz DFUALDRWFNJKBC-QGZVFWFLSA-N 1 3 293.455 2.228 10 0 CEAEHO CN[C@H](C)c1cc(F)ccc1N(C)CCC[NH+](C)C ZINC000111138753 186358032 /nfs/dbraw/zinc/35/80/32/186358032.db2.gz VGUJTBRYQOSQNF-GFCCVEGCSA-N 1 3 267.392 2.494 10 0 CEAEHO CCC[NH2+]C[C@@](C)(CCC)CN(C)CCN(C)C ZINC000111146866 186358503 /nfs/dbraw/zinc/35/85/03/186358503.db2.gz SBORNNVKBNSBKV-OAHLLOKOSA-N 1 3 257.466 2.286 10 0 CEAEHO C[NH2+][C@H]1CCCC[C@@H]1CN(C)C[C@@H]1CCCOC1 ZINC000111171868 186365473 /nfs/dbraw/zinc/36/54/73/186365473.db2.gz IHVGWLXUHXQWEY-ZNMIVQPWSA-N 1 3 254.418 2.123 10 0 CEAEHO C[N@H+](CC1CCOCC1)C[C@@H]1CCCCC[C@@H]1N ZINC000111172606 186365627 /nfs/dbraw/zinc/36/56/27/186365627.db2.gz XFGRBIAOHAYVKD-GJZGRUSLSA-N 1 3 254.418 2.252 10 0 CEAEHO C[N@@H+](CC1CCOCC1)C[C@@H]1CCCCC[C@@H]1N ZINC000111172606 186365628 /nfs/dbraw/zinc/36/56/28/186365628.db2.gz XFGRBIAOHAYVKD-GJZGRUSLSA-N 1 3 254.418 2.252 10 0 CEAEHO CCC[C@@](C)(C[NH2+]C)CN(C)C[C@@H]1CCCOC1 ZINC000111171583 186365814 /nfs/dbraw/zinc/36/58/14/186365814.db2.gz KSSULESNWYZSJI-GJZGRUSLSA-N 1 3 256.434 2.371 10 0 CEAEHO CCC[C@@](C)(CNC)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111171583 186365816 /nfs/dbraw/zinc/36/58/16/186365816.db2.gz KSSULESNWYZSJI-GJZGRUSLSA-N 1 3 256.434 2.371 10 0 CEAEHO CCC[C@@](C)(CNC)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111171583 186365817 /nfs/dbraw/zinc/36/58/17/186365817.db2.gz KSSULESNWYZSJI-GJZGRUSLSA-N 1 3 256.434 2.371 10 0 CEAEHO CCN(CC)C[C@@]1(C[NH2+]CC(C)C)CCCOC1 ZINC000111323679 186397018 /nfs/dbraw/zinc/39/70/18/186397018.db2.gz QZCIVFKZKRHFNZ-HNNXBMFYSA-N 1 3 256.434 2.371 10 0 CEAEHO CCCN1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000364797909 283352346 /nfs/dbraw/zinc/35/23/46/283352346.db2.gz RJOYJDBKQLOSGT-BARDWOONSA-N 1 3 266.429 2.121 10 0 CEAEHO C[NH+](C)CCn1cccc1[C@@H](N)COc1ccccc1 ZINC000011848799 361366171 /nfs/dbraw/zinc/36/61/71/361366171.db2.gz IQDCQHRRJTVJFH-HNNXBMFYSA-N 1 3 273.380 2.129 10 0 CEAEHO C[C@H]1C[N@H+](CCCCC2CCOCC2)C[C@@H]1CN ZINC000631838445 367579192 /nfs/dbraw/zinc/57/91/92/367579192.db2.gz OGVOTMLYELTKAJ-ZFWWWQNUSA-N 1 3 254.418 2.110 10 0 CEAEHO C[C@H]1C[N@@H+](CCCCC2CCOCC2)C[C@@H]1CN ZINC000631838445 367579196 /nfs/dbraw/zinc/57/91/96/367579196.db2.gz OGVOTMLYELTKAJ-ZFWWWQNUSA-N 1 3 254.418 2.110 10 0 CEAEHO C[C@@H]1CN(Cc2ccnc3ccccc23)C[C@@H]1C[NH3+] ZINC000634999117 369033101 /nfs/dbraw/zinc/03/31/01/369033101.db2.gz QFWNDAFDNRUHHV-OCCSQVGLSA-N 1 3 255.365 2.261 10 0 CEAEHO C[C@H](Cc1ccccc1F)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000187820929 369229193 /nfs/dbraw/zinc/22/91/93/369229193.db2.gz JPEKDKKKDQWSSY-GDBMZVCRSA-N 1 3 294.414 2.193 10 0 CEAEHO [NH3+]C[C@@H]1CN(Cc2ccncc2)C[C@H]1c1ccccc1 ZINC000261616755 371679725 /nfs/dbraw/zinc/67/97/25/371679725.db2.gz CUXCGXVILQBRHB-SJORKVTESA-N 1 3 267.376 2.256 10 0 CEAEHO C[C@@H]1CC(C[NH2+][C@@H]2CCCC[C@@H]2CN)C[C@@H](C)O1 ZINC000423109813 377002235 /nfs/dbraw/zinc/00/22/35/377002235.db2.gz UZVSJXHCKAXWLT-QHSBEEBCSA-N 1 3 254.418 2.297 10 0 CEAEHO COC[C@H]1CCN(C[C@@]2(C[NH2+]C(C)(C)C)CCCOC2)C1 ZINC000081115922 177773226 /nfs/dbraw/zinc/77/32/26/177773226.db2.gz FXHSUZDUCCROCC-RDJZCZTQSA-N 1 3 298.471 2.140 10 0 CEAEHO CCNc1ccnc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000094465182 184805387 /nfs/dbraw/zinc/80/53/87/184805387.db2.gz YRUDFCZTBYOWBX-BBRMVZONSA-N 1 3 274.412 2.182 10 0 CEAEHO CCNc1ccnc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000094465182 184805388 /nfs/dbraw/zinc/80/53/88/184805388.db2.gz YRUDFCZTBYOWBX-BBRMVZONSA-N 1 3 274.412 2.182 10 0 CEAEHO Cc1cccc(N2CCN(C[C@H]3C=C[C@H]([NH3+])C3)CC2)c1C ZINC000092208956 135076111 /nfs/dbraw/zinc/07/61/11/135076111.db2.gz LQQSPNNLLYJKKY-IRXDYDNUSA-N 1 3 285.435 2.329 10 0 CEAEHO NC(=[NH2+])c1ccc(Cl)cc1N1CCN2CCCC[C@@H]2C1 ZINC000094439616 135087888 /nfs/dbraw/zinc/08/78/88/135087888.db2.gz CYXBINFIUWRLES-GFCCVEGCSA-N 1 3 292.814 2.299 10 0 CEAEHO Cc1cc(N2CCO[C@@H](CN(C)C)C2)c2ccccc2[nH+]1 ZINC000108951983 394733092 /nfs/dbraw/zinc/73/30/92/394733092.db2.gz RHFURZPJCYCXKO-AWEZNQCLSA-N 1 3 285.391 2.310 10 0 CEAEHO CC(C)CN1CCN([C@H](C[NH3+])c2ccccc2F)CC1 ZINC000020179502 171044526 /nfs/dbraw/zinc/04/45/26/171044526.db2.gz FCWDNALYMXCRMR-MRXNPFEDSA-N 1 3 279.403 2.099 10 0 CEAEHO CC(C)CN1CCN([C@@H](C[NH3+])c2ccccc2F)CC1 ZINC000020179500 171044550 /nfs/dbraw/zinc/04/45/50/171044550.db2.gz FCWDNALYMXCRMR-INIZCTEOSA-N 1 3 279.403 2.099 10 0 CEAEHO Cc1ccc([C@@H](CN)[N@@H+](C)C2CCN(C)CC2)c(C)c1 ZINC000022168139 171366743 /nfs/dbraw/zinc/36/67/43/171366743.db2.gz RJUUXPFRPRLSME-QGZVFWFLSA-N 1 3 275.440 2.329 10 0 CEAEHO Cc1ccc([C@@H](CN)[N@H+](C)C2CCN(C)CC2)c(C)c1 ZINC000022168139 171366745 /nfs/dbraw/zinc/36/67/45/171366745.db2.gz RJUUXPFRPRLSME-QGZVFWFLSA-N 1 3 275.440 2.329 10 0 CEAEHO FC(F)(F)[C@@H]1CCCC[C@H]1NC1CC[NH2+]CC1 ZINC000038041261 174041832 /nfs/dbraw/zinc/04/18/32/174041832.db2.gz KPRMOJJSWGHKIU-GHMZBOCLSA-N 1 3 250.308 2.449 10 0 CEAEHO FC(F)(F)[C@@H]1CCCC[C@H]1[NH2+]C1CCNCC1 ZINC000038041261 174041835 /nfs/dbraw/zinc/04/18/35/174041835.db2.gz KPRMOJJSWGHKIU-GHMZBOCLSA-N 1 3 250.308 2.449 10 0 CEAEHO NC[C@@H](c1ccccn1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693783 174377810 /nfs/dbraw/zinc/37/78/10/174377810.db2.gz VXWCBCPRFCBNOI-KRWDZBQOSA-N 1 3 288.439 2.032 10 0 CEAEHO CN(C1Cc2ccccc2C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746499 174391686 /nfs/dbraw/zinc/39/16/86/174391686.db2.gz UAMWIHLUKOYTFU-FKEKPDDDSA-N 1 3 256.393 2.369 10 0 CEAEHO CCCN1CCN([C@H](C[NH3+])c2cccc(C)c2C)CC1 ZINC000043314471 175004400 /nfs/dbraw/zinc/00/44/00/175004400.db2.gz QIKZNYKPZGIHQV-QGZVFWFLSA-N 1 3 275.440 2.331 10 0 CEAEHO CCCN1CCN([C@H](C)[C@@H]([NH2+]C)c2ccccc2)CC1 ZINC000043805216 175107412 /nfs/dbraw/zinc/10/74/12/175107412.db2.gz JYUMMGUCPFFKCS-NVXWUHKLSA-N 1 3 275.440 2.363 10 0 CEAEHO C[NH2+][C@@H](CN1CCCN(C)CC1)c1cc(C)ccc1C ZINC000043818160 175112903 /nfs/dbraw/zinc/11/29/03/175112903.db2.gz CRRRPZJBOMSRQT-KRWDZBQOSA-N 1 3 275.440 2.201 10 0 CEAEHO CCC[C@@H]([NH2+]C)[C@@H](CC)N1CCN(CC2CC2)CC1 ZINC000043967873 175129204 /nfs/dbraw/zinc/12/92/04/175129204.db2.gz NKSJHSPWDJMHGB-HZPDHXFCSA-N 1 3 267.461 2.181 10 0 CEAEHO CCN1CCC(N(C)C(=O)C2(C[NH3+])CCCCCC2)CC1 ZINC000044764204 175248106 /nfs/dbraw/zinc/24/81/06/175248106.db2.gz YQUKCZXPBKZUBU-UHFFFAOYSA-N 1 3 295.471 2.228 10 0 CEAEHO CO[C@H](CN[C@H](C)[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000665283063 415673908 /nfs/dbraw/zinc/67/39/08/415673908.db2.gz HAXBHGLRRXPVIA-VHDGCEQUSA-N 1 3 254.418 2.169 10 0 CEAEHO CCNCc1oc(CN(C)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC000071192034 176072064 /nfs/dbraw/zinc/07/20/64/176072064.db2.gz MCAGSHZQMGKSKK-CQSZACIVSA-N 1 3 279.428 2.081 10 0 CEAEHO CCNCc1oc(CN(C)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC000071192034 176072065 /nfs/dbraw/zinc/07/20/65/176072065.db2.gz MCAGSHZQMGKSKK-CQSZACIVSA-N 1 3 279.428 2.081 10 0 CEAEHO CC(C)C[NH2+]CCCCCCN1CCN(C)[C@@H](C)C1 ZINC000071290079 176110607 /nfs/dbraw/zinc/11/06/07/176110607.db2.gz ZZAUWHNFXNMUAC-INIZCTEOSA-N 1 3 269.477 2.428 10 0 CEAEHO CCOC(=O)CCCCC[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000071293982 176111525 /nfs/dbraw/zinc/11/15/25/176111525.db2.gz NCDRBTYIVOWBBO-OAHLLOKOSA-N 1 3 284.444 2.430 10 0 CEAEHO C[C@H](CN1CCCC1)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071401180 176153442 /nfs/dbraw/zinc/15/34/42/176153442.db2.gz AAOLZPYWPUKKGG-GDBMZVCRSA-N 1 3 289.423 2.067 10 0 CEAEHO C[C@H]1CN(CCCc2ccccc2)C[C@H](CC[NH3+])O1 ZINC000071589154 176217432 /nfs/dbraw/zinc/21/74/32/176217432.db2.gz BKXKMJIRZNGDCZ-HOCLYGCPSA-N 1 3 262.397 2.057 10 0 CEAEHO [NH3+][C@@H]1CC[C@H]2CN(c3ccnc4ccccc43)C[C@H]12 ZINC000261629278 274959788 /nfs/dbraw/zinc/95/97/88/274959788.db2.gz VRYBZPCZSAEOJO-FPMFFAJLSA-N 1 3 253.349 2.408 10 0 CEAEHO CC(C)C[C@H](CN(C)C)NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000156013549 279122134 /nfs/dbraw/zinc/12/21/34/279122134.db2.gz UDKCYTSWLQESGS-ARFHVFGLSA-N 1 3 297.487 2.105 10 0 CEAEHO CC(C)CC[NH2+]C[C@H](C)N1CCN(CC(C)C)CC1 ZINC000055075943 519663299 /nfs/dbraw/zinc/66/32/99/519663299.db2.gz ANAZPTLEUJPBGN-INIZCTEOSA-N 1 3 269.477 2.284 10 0 CEAEHO CC(C)CN1CCN(CC(C)(C)C[NH2+]C(C)C)CC1 ZINC000055081831 519725506 /nfs/dbraw/zinc/72/55/06/519725506.db2.gz OHXRSRZFJBAOOH-UHFFFAOYSA-N 1 3 269.477 2.284 10 0 CEAEHO CC(C)[NH2+]C[C@H](C)CN1CCN(C(C)(C)C)CC1 ZINC000052571603 519724211 /nfs/dbraw/zinc/72/42/11/519724211.db2.gz ZHFWYZIKXUIZHE-AWEZNQCLSA-N 1 3 255.450 2.037 10 0 CEAEHO CC(C)C[NH2+]CCC[C@@H](C)N1CCN(C2CC2)CC1 ZINC000052371370 519743848 /nfs/dbraw/zinc/74/38/48/519743848.db2.gz WJGLHEZPYZOJJV-OAHLLOKOSA-N 1 3 267.461 2.181 10 0 CEAEHO CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCOC1 ZINC000061148373 519908340 /nfs/dbraw/zinc/90/83/40/519908340.db2.gz SUDVLARKNLWXNP-AVOUXACISA-N 1 3 252.402 2.018 10 0 CEAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCOC1 ZINC000061148373 519908345 /nfs/dbraw/zinc/90/83/45/519908345.db2.gz SUDVLARKNLWXNP-AVOUXACISA-N 1 3 252.402 2.018 10 0 CEAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCOC1 ZINC000061148373 519908348 /nfs/dbraw/zinc/90/83/48/519908348.db2.gz SUDVLARKNLWXNP-AVOUXACISA-N 1 3 252.402 2.018 10 0 CEAEHO CC[NH2+]Cc1sc(N2CCC[C@@H]2CN(C)C)nc1CC ZINC000061655605 520033621 /nfs/dbraw/zinc/03/36/21/520033621.db2.gz ZMEALKGLHBGWLR-GFCCVEGCSA-N 1 3 296.484 2.345 10 0 CEAEHO CC[NH2+]Cc1sc(N2CCN(CC(C)C)CC2)nc1C ZINC000055076605 520034366 /nfs/dbraw/zinc/03/43/66/520034366.db2.gz JPXNXNBFXUEBCR-UHFFFAOYSA-N 1 3 296.484 2.339 10 0 CEAEHO CCC[NH2+][C@H](C)CCCN1CCN(CC(C)C)CC1 ZINC000055078752 520061490 /nfs/dbraw/zinc/06/14/90/520061490.db2.gz DAVIPVWYIVPUTN-MRXNPFEDSA-N 1 3 269.477 2.428 10 0 CEAEHO CC[N@H+](CCCOc1ccccc1)C[C@@H](C)CN ZINC000061815651 521039710 /nfs/dbraw/zinc/03/97/10/521039710.db2.gz LUNFIOKIFKSZAB-AWEZNQCLSA-N 1 3 250.386 2.372 10 0 CEAEHO CC[N@@H+](CCCOc1ccccc1)C[C@@H](C)CN ZINC000061815651 521039716 /nfs/dbraw/zinc/03/97/16/521039716.db2.gz LUNFIOKIFKSZAB-AWEZNQCLSA-N 1 3 250.386 2.372 10 0 CEAEHO CCN(CCCOc1ccccc1)C[C@@H](C)C[NH3+] ZINC000061815651 521039722 /nfs/dbraw/zinc/03/97/22/521039722.db2.gz LUNFIOKIFKSZAB-AWEZNQCLSA-N 1 3 250.386 2.372 10 0 CEAEHO CCN1CCN(C[C@@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054559453 521685941 /nfs/dbraw/zinc/68/59/41/521685941.db2.gz ZDLHGGDFHWONHB-PMPSAXMXSA-N 1 3 267.461 2.024 10 0 CEAEHO CC(C)C[C@H]1CSC(N[C@@H](C)CC[NH+](C)C)=N1 ZINC000049559265 519416626 /nfs/dbraw/zinc/41/66/26/519416626.db2.gz SCIWQYGRWOUEAR-RYUDHWBXSA-N 1 3 257.447 2.434 10 0 CEAEHO CC(C)[NH2+]CC1(CN2CCC[C@@H]2CCCO)CCOCC1 ZINC000052763424 519719855 /nfs/dbraw/zinc/71/98/55/519719855.db2.gz DPTRAKUBEYEVNK-MRXNPFEDSA-N 1 3 298.471 2.018 10 0 CEAEHO CC(C)C[NH2+]C[C@@H](C(C)C)N1CCN(CC2CC2)CC1 ZINC000052372386 519744660 /nfs/dbraw/zinc/74/46/60/519744660.db2.gz YISAZPFJNSPGAB-KRWDZBQOSA-N 1 3 281.488 2.284 10 0 CEAEHO CC(C)C[NH2+]Cc1ccc(OCCOCCN(C)C)cc1 ZINC000052669693 519747359 /nfs/dbraw/zinc/74/73/59/519747359.db2.gz HXGWHRRHGROXKV-UHFFFAOYSA-N 1 3 294.439 2.389 10 0 CEAEHO CC(C)[C@@H](C)[NH2+]CCN1CCN(C2CCCC2)CC1 ZINC000053388955 519792312 /nfs/dbraw/zinc/79/23/12/519792312.db2.gz ZIDKSVDURFODOK-OAHLLOKOSA-N 1 3 267.461 2.181 10 0 CEAEHO CC(C)[C@@H](C[NH2+]C(C)(C)C)N1CCC[C@@H]1CN(C)C ZINC000061654676 519794847 /nfs/dbraw/zinc/79/48/47/519794847.db2.gz YFHVIHNKKNGOQL-HUUCEWRRSA-N 1 3 269.477 2.425 10 0 CEAEHO CC(C)[C@H](CN(C)C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000049197491 519814401 /nfs/dbraw/zinc/81/44/01/519814401.db2.gz YMSBPTYCASRPDW-KRWDZBQOSA-N 1 3 290.455 2.226 10 0 CEAEHO CCCN1CCN([C@@H](C)CC[NH2+]CC(C)C)CC1 ZINC000052422129 519859533 /nfs/dbraw/zinc/85/95/33/519859533.db2.gz LKFYWNBWEDTDEM-HNNXBMFYSA-N 1 3 255.450 2.038 10 0 CEAEHO CCCN1CCN([C@H](C)CCC[NH2+]C(C)C)CC1 ZINC000052421973 519859601 /nfs/dbraw/zinc/85/96/01/519859601.db2.gz OUUKVGFJZZNDJG-OAHLLOKOSA-N 1 3 255.450 2.181 10 0 CEAEHO CCCN1CCN([C@@H](C)CCC[NH2+]CC(C)C)CC1 ZINC000052421982 519859610 /nfs/dbraw/zinc/85/96/10/519859610.db2.gz DNJHJPDBELMOBV-INIZCTEOSA-N 1 3 269.477 2.428 10 0 CEAEHO CCCN1CCN(c2ccc(Cl)cc2C(N)=[NH2+])CC1 ZINC000052860006 519859909 /nfs/dbraw/zinc/85/99/09/519859909.db2.gz MHOOOVDXVKGDPX-UHFFFAOYSA-N 1 3 280.803 2.156 10 0 CEAEHO CCC[NH2+]CC1(CN2CCCC[C@H]2CCO)CCOCC1 ZINC000052181054 519909592 /nfs/dbraw/zinc/90/95/92/519909592.db2.gz PNNKIJULOZTVEI-INIZCTEOSA-N 1 3 298.471 2.020 10 0 CEAEHO CCNCC1(C[N@H+](C)[C@H](C)C(C)C)CCOCC1 ZINC000052181736 519913019 /nfs/dbraw/zinc/91/30/19/519913019.db2.gz ASHWMJFTRGBNLC-CQSZACIVSA-N 1 3 256.434 2.369 10 0 CEAEHO CCNCC1(C[N@@H+](C)[C@H](C)C(C)C)CCOCC1 ZINC000052181736 519913020 /nfs/dbraw/zinc/91/30/20/519913020.db2.gz ASHWMJFTRGBNLC-CQSZACIVSA-N 1 3 256.434 2.369 10 0 CEAEHO CC[NH2+]CC1(CN2CCCCCC2)CCOCC1 ZINC000052180819 519913302 /nfs/dbraw/zinc/91/33/02/519913302.db2.gz PIGPZQOIOGTSII-UHFFFAOYSA-N 1 3 254.418 2.269 10 0 CEAEHO CCNCC1(C[NH+]2CCCCCC2)CCOCC1 ZINC000052180819 519913304 /nfs/dbraw/zinc/91/33/04/519913304.db2.gz PIGPZQOIOGTSII-UHFFFAOYSA-N 1 3 254.418 2.269 10 0 CEAEHO CCC[NH2+]Cc1cccc(OCCOCCN(C)C)c1 ZINC000052669669 519953680 /nfs/dbraw/zinc/95/36/80/519953680.db2.gz YGQZLPNMHNYTQQ-UHFFFAOYSA-N 1 3 280.412 2.143 10 0 CEAEHO CC[NH2+]C[C@@](C)(CC)CN1CCN(CC(C)C)CC1 ZINC000055081741 519957949 /nfs/dbraw/zinc/95/79/49/519957949.db2.gz MDPZVLCNHNGQTO-MRXNPFEDSA-N 1 3 269.477 2.286 10 0 CEAEHO CC[NH2+]C[C@H](c1ccccc1)N1CCC[C@@H]1CN(C)C ZINC000061654578 519976270 /nfs/dbraw/zinc/97/62/70/519976270.db2.gz ZRELTBWPVRETDE-IAGOWNOFSA-N 1 3 275.440 2.363 10 0 CEAEHO CCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCOCC2)C1 ZINC000069288295 519987418 /nfs/dbraw/zinc/98/74/18/519987418.db2.gz IREFTHCVDMTSSN-KBPBESRZSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[NH2+]Cc1coc(CN(C)[C@@H]2CCSC2)c1 ZINC000052453451 520018179 /nfs/dbraw/zinc/01/81/79/520018179.db2.gz DUMMEFNODALVJH-GFCCVEGCSA-N 1 3 254.399 2.326 10 0 CEAEHO CC[NH2+]Cc1ccccc1OCCN1CCC(OC)CC1 ZINC000052455270 520008031 /nfs/dbraw/zinc/00/80/31/520008031.db2.gz NBWNXEKGVLRHRN-UHFFFAOYSA-N 1 3 292.423 2.286 10 0 CEAEHO CC[NH2+]Cc1ccoc1CN(C)[C@@H]1CCSC1 ZINC000052453159 520010784 /nfs/dbraw/zinc/01/07/84/520010784.db2.gz VQYPFVWPRRDUOV-GFCCVEGCSA-N 1 3 254.399 2.326 10 0 CEAEHO CCC[NH2+][C@H](CN(CCN(C)C)CC(C)C)C1CC1 ZINC000069074588 520083770 /nfs/dbraw/zinc/08/37/70/520083770.db2.gz NTZGEPFKLPCGBB-MRXNPFEDSA-N 1 3 269.477 2.284 10 0 CEAEHO CCN(CC)[C@H](CNC(=O)C(C)(C)[NH2+]C)c1ccccc1 ZINC000061300091 520859260 /nfs/dbraw/zinc/85/92/60/520859260.db2.gz UZBIPUWBTORXSV-OAHLLOKOSA-N 1 3 291.439 2.184 10 0 CEAEHO CC[NH+](CC)[C@H]1CCN(c2nc(C3CC3)c(CN)s2)C1 ZINC000069182602 520876765 /nfs/dbraw/zinc/87/67/65/520876765.db2.gz NADFXZBRIGXEBF-LBPRGKRZSA-N 1 3 294.468 2.400 10 0 CEAEHO CCCC[C@H]([NH3+])CN1CCN(C2CCCC2)CC1 ZINC000052063830 521216413 /nfs/dbraw/zinc/21/64/13/521216413.db2.gz OOEQUWYRHCGKPR-AWEZNQCLSA-N 1 3 253.434 2.064 10 0 CEAEHO CCC(CC)[NH2+]CCN1CCN([C@H](C)CC)CC1 ZINC000055075368 521595728 /nfs/dbraw/zinc/59/57/28/521595728.db2.gz GHRKGOSHSRQCOL-CQSZACIVSA-N 1 3 255.450 2.181 10 0 CEAEHO CCOC1CCN(C[C@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052484098 521656030 /nfs/dbraw/zinc/65/60/30/521656030.db2.gz NYUACUDFDWOXOH-JKSUJKDBSA-N 1 3 298.471 2.423 10 0 CEAEHO C[NH+](C)C[C@H]1CCCN1c1nc(C2CC2)c(CN)s1 ZINC000069182060 521876429 /nfs/dbraw/zinc/87/64/29/521876429.db2.gz NTVTXBCFXHBXTM-LLVKDONJSA-N 1 3 280.441 2.010 10 0 CEAEHO C[NH2+]C[C@@H]1CC[C@H](CN(C)Cc2ccc(F)cc2)O1 ZINC000052346218 522057903 /nfs/dbraw/zinc/05/79/03/522057903.db2.gz YILZUWGIVYZMAW-LSDHHAIUSA-N 1 3 266.360 2.025 10 0 CEAEHO C[NH2+]Cc1cc(F)ccc1N1CCN(CC(C)C)CC1 ZINC000055080294 522114955 /nfs/dbraw/zinc/11/49/55/522114955.db2.gz YLVZYSJAUJUMHB-UHFFFAOYSA-N 1 3 279.403 2.323 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](C[NH2+]C2CC2)C(C)C)CC1 ZINC000055074471 522129572 /nfs/dbraw/zinc/12/95/72/522129572.db2.gz AQJKLJUBYVRJJV-ZBFHGGJFSA-N 1 3 267.461 2.179 10 0 CEAEHO CN1CCCC[C@H]1CC[NH2+]CCCCn1ccnc1 ZINC000052206219 523798679 /nfs/dbraw/zinc/79/86/79/523798679.db2.gz BDNWFNDCFCLSMX-HNNXBMFYSA-N 1 3 264.417 2.127 10 0 CEAEHO CC[C@H](C)N1CCN(c2ccc(F)cc2C[NH3+])CC1 ZINC000055068751 523961151 /nfs/dbraw/zinc/96/11/51/523961151.db2.gz VNJSRUNEFPLWTC-LBPRGKRZSA-N 1 3 265.376 2.205 10 0 CEAEHO CC[C@H](C)[NH2+]C[C@H](C)N1CCN([C@@H](C)CC)CC1 ZINC000055075236 524003749 /nfs/dbraw/zinc/00/37/49/524003749.db2.gz XNNOAZNTWWTDLI-KKUMJFAQSA-N 1 3 255.450 2.179 10 0 CEAEHO C[C@@H](CCC[NH3+])O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000061702318 524456195 /nfs/dbraw/zinc/45/61/95/524456195.db2.gz VFBMAOARNFMFBO-GOEBONIOSA-N 1 3 262.397 2.405 10 0 CEAEHO Cc1nc(N(C)[C@H]2CCCN(C)C2)sc1[C@@H](C)[NH3+] ZINC000054896317 526952395 /nfs/dbraw/zinc/95/23/95/526952395.db2.gz JVLBYUQEYFTRMV-KOLCDFICSA-N 1 3 268.430 2.002 10 0 CEAEHO Cc1nc(N2CCN(CC(C)C)CC2)sc1[C@H](C)[NH3+] ZINC000055076381 526968548 /nfs/dbraw/zinc/96/85/48/526968548.db2.gz YWOYRKCLYBSKQY-NSHDSACASA-N 1 3 282.457 2.249 10 0 CEAEHO CCN(C/C=C\c1ccccc1)C(=O)[C@@H](N)CCCC[NH3+] ZINC000096859304 623649305 /nfs/dbraw/zinc/64/93/05/623649305.db2.gz GCLLDBKCXNKOKB-CLOOOTJHSA-N 1 3 289.423 2.005 10 0 CEAEHO CC[NH+](CC)CCc1nc(C2CC2)c(CN)s1 ZINC000082441451 178021332 /nfs/dbraw/zinc/02/13/32/178021332.db2.gz COITTXQVAHIZMP-UHFFFAOYSA-N 1 3 253.415 2.364 10 0 CEAEHO Nc1c[nH+]ccc1N1CCCN(Cc2ccccc2)CC1 ZINC000306242175 344712606 /nfs/dbraw/zinc/71/26/06/344712606.db2.gz VUITXXYCYIOJNA-UHFFFAOYSA-N 1 3 282.391 2.376 10 0 CEAEHO C[C@H]1C[C@@H](N2C[C@@H](C)[NH2+][C@@H](C)C2)CN1Cc1ccccc1 ZINC000306571331 344714621 /nfs/dbraw/zinc/71/46/21/344714621.db2.gz FXJGVDUICZTVFH-UIBIWLFHSA-N 1 3 287.451 2.332 10 0 CEAEHO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCCNCC1 ZINC000129098804 232211376 /nfs/dbraw/zinc/21/13/76/232211376.db2.gz IWCPYTCGGOWOOG-UKRRQHHQSA-N 1 3 262.397 2.445 10 0 CEAEHO CC[C@@]1(C)CN[C@](C)(C2CC2)C[N@@H+]1CCn1ccnc1C ZINC000085515086 179086368 /nfs/dbraw/zinc/08/63/68/179086368.db2.gz WOESXCBCIFENQW-IRXDYDNUSA-N 1 3 290.455 2.434 10 0 CEAEHO CC[C@@]1(C)CN[C@](C)(C2CC2)C[N@H+]1CCn1ccnc1C ZINC000085515086 179086370 /nfs/dbraw/zinc/08/63/70/179086370.db2.gz WOESXCBCIFENQW-IRXDYDNUSA-N 1 3 290.455 2.434 10 0 CEAEHO CO[C@@H]1CCC[C@H](N2CCC[NH2+][C@H](C3CC3)C2)C1 ZINC000085616375 179104376 /nfs/dbraw/zinc/10/43/76/179104376.db2.gz HPELTXITXHJFGJ-ZNMIVQPWSA-N 1 3 252.402 2.018 10 0 CEAEHO CCN1CCC[C@H](N2CC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086143110 179237798 /nfs/dbraw/zinc/23/77/98/179237798.db2.gz VWIWCSKGSHEYCK-IRXDYDNUSA-N 1 3 279.472 2.325 10 0 CEAEHO CC(C)[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086173855 179244167 /nfs/dbraw/zinc/24/41/67/179244167.db2.gz JKPYZRJOSJDJCD-ZACQAIPSSA-N 1 3 279.472 2.178 10 0 CEAEHO CC(C)[C@@H]1CN[C@@H](C(C)C)C[N@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086173855 179244170 /nfs/dbraw/zinc/24/41/70/179244170.db2.gz JKPYZRJOSJDJCD-ZACQAIPSSA-N 1 3 279.472 2.178 10 0 CEAEHO CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086173855 179244173 /nfs/dbraw/zinc/24/41/73/179244173.db2.gz JKPYZRJOSJDJCD-ZACQAIPSSA-N 1 3 279.472 2.178 10 0 CEAEHO CC[C@H]1CNC2(CCCC2)C[N@@H+]1[C@@H]1CCCN(CC)C1 ZINC000086225421 179253738 /nfs/dbraw/zinc/25/37/38/179253738.db2.gz GZKWTPSKMUPNGJ-JKSUJKDBSA-N 1 3 279.472 2.467 10 0 CEAEHO CC[C@H]1CNC2(CCCC2)C[N@H+]1[C@@H]1CCCN(CC)C1 ZINC000086225421 179253739 /nfs/dbraw/zinc/25/37/39/179253739.db2.gz GZKWTPSKMUPNGJ-JKSUJKDBSA-N 1 3 279.472 2.467 10 0 CEAEHO CC(C)[C@H]1CN[C@@H](C2CC2)C[N@@H+]1C[C@@H]1CCCCN1C ZINC000086259324 179258106 /nfs/dbraw/zinc/25/81/06/179258106.db2.gz QRDHGLOZGBZUOS-GVDBMIGSSA-N 1 3 279.472 2.179 10 0 CEAEHO CC(C)[C@H]1CN[C@@H](C2CC2)C[N@H+]1C[C@@H]1CCCCN1C ZINC000086259324 179258107 /nfs/dbraw/zinc/25/81/07/179258107.db2.gz QRDHGLOZGBZUOS-GVDBMIGSSA-N 1 3 279.472 2.179 10 0 CEAEHO CC[C@H]1C[N@H+](CC2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086259078 179256639 /nfs/dbraw/zinc/25/66/39/179256639.db2.gz NQPQAPLILGUWNL-HOTGVXAUSA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@H]1C[N@@H+](CC2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086259078 179256642 /nfs/dbraw/zinc/25/66/42/179256642.db2.gz NQPQAPLILGUWNL-HOTGVXAUSA-N 1 3 267.461 2.037 10 0 CEAEHO CCC1(CC)CN([C@@H]2CCN(C3CC3)C2)CCC[NH2+]1 ZINC000086291997 179266181 /nfs/dbraw/zinc/26/61/81/179266181.db2.gz NJAGXNRLSRDYGO-OAHLLOKOSA-N 1 3 265.445 2.077 10 0 CEAEHO CCCN1CCC[C@](CN)([N@@H+]2CCCC2(C)C)CC1 ZINC000086848653 179357310 /nfs/dbraw/zinc/35/73/10/179357310.db2.gz YFIKCUBYKSNYGS-INIZCTEOSA-N 1 3 267.461 2.454 10 0 CEAEHO CCCN1CCC[C@](CN)([N@H+]2CCCC2(C)C)CC1 ZINC000086848653 179357311 /nfs/dbraw/zinc/35/73/11/179357311.db2.gz YFIKCUBYKSNYGS-INIZCTEOSA-N 1 3 267.461 2.454 10 0 CEAEHO CCN1CCC[C@@H]([NH2+]C[C@@H]2Cc3ccccc3O2)CC1 ZINC000086841925 179353153 /nfs/dbraw/zinc/35/31/53/179353153.db2.gz APJOEPRZMJZABE-CVEARBPZSA-N 1 3 274.408 2.454 10 0 CEAEHO CC[N@@H+]1CCC[C@@H](NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000086841925 179353154 /nfs/dbraw/zinc/35/31/54/179353154.db2.gz APJOEPRZMJZABE-CVEARBPZSA-N 1 3 274.408 2.454 10 0 CEAEHO CC[N@H+]1CCC[C@@H](NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000086841925 179353155 /nfs/dbraw/zinc/35/31/55/179353155.db2.gz APJOEPRZMJZABE-CVEARBPZSA-N 1 3 274.408 2.454 10 0 CEAEHO COCCCN(CCOC)[C@]1(C[NH3+])CCC[C@@H](C)CC1 ZINC000086891124 179366209 /nfs/dbraw/zinc/36/62/09/179366209.db2.gz XBSFBMMHAXGZMK-HZPDHXFCSA-N 1 3 286.460 2.269 10 0 CEAEHO CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000088276439 539670486 /nfs/dbraw/zinc/67/04/86/539670486.db2.gz OEQZAEJYIPCKME-GJZGRUSLSA-N 1 3 285.476 2.090 10 0 CEAEHO C[C@H](N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000400355393 233176440 /nfs/dbraw/zinc/17/64/40/233176440.db2.gz OGJSLGPHCNVXEP-CIRFHOKZSA-N 1 3 287.451 2.237 10 0 CEAEHO CN(C)CCN(C(=O)[C@H]1CCCC[C@H]1C[NH3+])C1CCCC1 ZINC000089392881 179779434 /nfs/dbraw/zinc/77/94/34/179779434.db2.gz BLQINZMUCOLRMC-HOCLYGCPSA-N 1 3 295.471 2.084 10 0 CEAEHO CCCN[C@H]1COC[C@H]1C[NH+]1CCCCCCC1 ZINC000090566083 180005866 /nfs/dbraw/zinc/00/58/66/180005866.db2.gz NTPVGRFCZRLWAX-CABCVRRESA-N 1 3 254.418 2.267 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[NH2+]CC1(C)CCCC1 ZINC000090567000 180006392 /nfs/dbraw/zinc/00/63/92/180006392.db2.gz RZZORHQQTBMXJB-ZIAGYGMSSA-N 1 3 254.418 2.171 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000090566758 180006943 /nfs/dbraw/zinc/00/69/43/180006943.db2.gz HKPBYOZLGRWYEP-OKZBNKHCSA-N 1 3 288.435 2.491 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000090566758 180006945 /nfs/dbraw/zinc/00/69/45/180006945.db2.gz HKPBYOZLGRWYEP-OKZBNKHCSA-N 1 3 288.435 2.491 10 0 CEAEHO CCC[NH2+][C@@H]1COC[C@@H]1CN1CC[C@H](c2ccccc2)C1 ZINC000090566758 180006947 /nfs/dbraw/zinc/00/69/47/180006947.db2.gz HKPBYOZLGRWYEP-OKZBNKHCSA-N 1 3 288.435 2.491 10 0 CEAEHO CC[N@H+](C[C@H]1Cc2ccccc2O1)C1CCNCC1 ZINC000090876223 180051180 /nfs/dbraw/zinc/05/11/80/180051180.db2.gz DKXCHTDHKXWTAE-OAHLLOKOSA-N 1 3 260.381 2.064 10 0 CEAEHO CC[N@@H+](C[C@H]1Cc2ccccc2O1)C1CCNCC1 ZINC000090876223 180051182 /nfs/dbraw/zinc/05/11/82/180051182.db2.gz DKXCHTDHKXWTAE-OAHLLOKOSA-N 1 3 260.381 2.064 10 0 CEAEHO Fc1ccc2c(c1)C[C@@H](C[NH2+]C[C@@H]1CCN(C3CC3)C1)O2 ZINC000090892240 180053628 /nfs/dbraw/zinc/05/36/28/180053628.db2.gz KCSIYWBTHYBXOO-LRDDRELGSA-N 1 3 290.382 2.203 10 0 CEAEHO Fc1ccc2c(c1)C[C@@H](CNC[C@@H]1CC[N@@H+](C3CC3)C1)O2 ZINC000090892240 180053630 /nfs/dbraw/zinc/05/36/30/180053630.db2.gz KCSIYWBTHYBXOO-LRDDRELGSA-N 1 3 290.382 2.203 10 0 CEAEHO Fc1ccc2c(c1)C[C@@H](CNC[C@@H]1CC[N@H+](C3CC3)C1)O2 ZINC000090892240 180053631 /nfs/dbraw/zinc/05/36/31/180053631.db2.gz KCSIYWBTHYBXOO-LRDDRELGSA-N 1 3 290.382 2.203 10 0 CEAEHO CN(C)[C@H]1CCC[N@H+](Cc2c3ccccc3oc2CN)C1 ZINC000091431928 180153589 /nfs/dbraw/zinc/15/35/89/180153589.db2.gz PZHQFXMMOQJEBC-ZDUSSCGKSA-N 1 3 287.407 2.418 10 0 CEAEHO CN(C)[C@H]1CCC[N@@H+](Cc2c3ccccc3oc2CN)C1 ZINC000091431928 180153591 /nfs/dbraw/zinc/15/35/91/180153591.db2.gz PZHQFXMMOQJEBC-ZDUSSCGKSA-N 1 3 287.407 2.418 10 0 CEAEHO C[NH2+][C@@H](CCN(C)CC1CC(O)C1)c1ccccc1 ZINC000091489215 180168229 /nfs/dbraw/zinc/16/82/29/180168229.db2.gz FCTGVBJUGLCUPM-BCLQGDPASA-N 1 3 262.397 2.040 10 0 CEAEHO CC[NH2+][C@H]1CCCCC[C@@H]1CN(C)CC1CC(O)C1 ZINC000091499463 180174049 /nfs/dbraw/zinc/17/40/49/180174049.db2.gz HYNOZFBERFDQPV-KNIAUWFNSA-N 1 3 268.445 2.248 10 0 CEAEHO CC[NH2+][C@@H]1CCCCC[C@@H]1CN(C)CC1CC(O)C1 ZINC000091499462 180174141 /nfs/dbraw/zinc/17/41/41/180174141.db2.gz HYNOZFBERFDQPV-GYTBAZASSA-N 1 3 268.445 2.248 10 0 CEAEHO CCOc1ccccc1[C@@H](CN)N1CCC[C@H]([NH+](C)C)C1 ZINC000091393894 180145721 /nfs/dbraw/zinc/14/57/21/180145721.db2.gz ZBRUQMNIVFIXJW-GOEBONIOSA-N 1 3 291.439 2.111 10 0 CEAEHO Cc1cc([C@H](CN)N2CCC[C@H]([NH+](C)C)C2)c(C)s1 ZINC000091392810 180145754 /nfs/dbraw/zinc/14/57/54/180145754.db2.gz CDLGDNKAZNFXJQ-ZFWWWQNUSA-N 1 3 281.469 2.391 10 0 CEAEHO CC[NH2+][C@H](C)C(C)(C)CN1CCN([C@@H](C)CC)CC1 ZINC000091404643 180146968 /nfs/dbraw/zinc/14/69/68/180146968.db2.gz AZFIQVPYAYNIMT-LSDHHAIUSA-N 1 3 269.477 2.427 10 0 CEAEHO CCN(CC)CC[C@H]([NH3+])Cc1nn(C)c2ccccc12 ZINC000091715746 180232049 /nfs/dbraw/zinc/23/20/49/180232049.db2.gz LIMBDYYNSAQMOU-ZDUSSCGKSA-N 1 3 274.412 2.175 10 0 CEAEHO CCC[NH2+]C1CCC(N(C)C[C@@H](O)C(F)(F)F)CC1 ZINC000091870007 180277061 /nfs/dbraw/zinc/27/70/61/180277061.db2.gz PMUHJECRLMVJGT-HTAVTVPLSA-N 1 3 282.350 2.152 10 0 CEAEHO CCCNC(=O)[C@H](C)N(C)C1CCC([NH2+]CCC)CC1 ZINC000091870161 180277134 /nfs/dbraw/zinc/27/71/34/180277134.db2.gz QUEQLLPADVXQOG-NFOMZHRRSA-N 1 3 283.460 2.144 10 0 CEAEHO C[NH2+]C1CCC(N(C)[C@H](C)C(=O)Nc2ccccc2)CC1 ZINC000091870558 180277275 /nfs/dbraw/zinc/27/72/75/180277275.db2.gz LCNJJBAJHLJORS-VQCLRJIVSA-N 1 3 289.423 2.476 10 0 CEAEHO C[NH2+]C1CCC(N(C)Cc2cccc(OC)n2)CC1 ZINC000091870515 180277473 /nfs/dbraw/zinc/27/74/73/180277473.db2.gz ZREWYMUEWIJICO-UHFFFAOYSA-N 1 3 263.385 2.053 10 0 CEAEHO CCCCNC(=O)[C@@H](C)N(C)C1CCC([NH2+]CC)CC1 ZINC000091870348 180277584 /nfs/dbraw/zinc/27/75/84/180277584.db2.gz BKUWPWHMRPWAOJ-WLYUNCDWSA-N 1 3 283.460 2.144 10 0 CEAEHO CCN1CCO[C@@H](C[N@H+](CCCN)C2CCCCCC2)C1 ZINC000092051429 180312554 /nfs/dbraw/zinc/31/25/54/180312554.db2.gz VVAVUZDDKVDERN-QGZVFWFLSA-N 1 3 297.487 2.081 10 0 CEAEHO CCN1CCO[C@@H](C[N@@H+](CCCN)C2CCCCCC2)C1 ZINC000092051429 180312556 /nfs/dbraw/zinc/31/25/56/180312556.db2.gz VVAVUZDDKVDERN-QGZVFWFLSA-N 1 3 297.487 2.081 10 0 CEAEHO CCN1CCO[C@@H](CN(CCC[NH3+])C2CCCCCC2)C1 ZINC000092051429 180312559 /nfs/dbraw/zinc/31/25/59/180312559.db2.gz VVAVUZDDKVDERN-QGZVFWFLSA-N 1 3 297.487 2.081 10 0 CEAEHO CC(C)[C@H]1CSC(NC[C@@H]2CC[N@@H+](C(C)C)C2)=N1 ZINC000092402532 180378038 /nfs/dbraw/zinc/37/80/38/180378038.db2.gz XILXXOAOKYIWKW-QWHCGFSZSA-N 1 3 269.458 2.434 10 0 CEAEHO CC(C)[C@H]1CSC(NC[C@@H]2CC[N@H+](C(C)C)C2)=N1 ZINC000092402532 180378041 /nfs/dbraw/zinc/37/80/41/180378041.db2.gz XILXXOAOKYIWKW-QWHCGFSZSA-N 1 3 269.458 2.434 10 0 CEAEHO CC[NH+]1CCC(N(C)Cc2cc(NC)ccn2)CC1 ZINC000092418646 180381548 /nfs/dbraw/zinc/38/15/48/180381548.db2.gz OFXFKQQLCRFPBC-UHFFFAOYSA-N 1 3 262.401 2.039 10 0 CEAEHO CC[C@H]1CN([C@@H](C[NH3+])c2ccc(C)cc2)CCN1C ZINC000107906987 186197494 /nfs/dbraw/zinc/19/74/94/186197494.db2.gz YXYRBVBYUXMPCO-HOTGVXAUSA-N 1 3 261.413 2.021 10 0 CEAEHO CCN(CC)CCc1noc([C@@H]2CCCCC[C@H]2[NH3+])n1 ZINC000109495996 186256545 /nfs/dbraw/zinc/25/65/45/186256545.db2.gz KAKWEQCMVPCNLW-CHWSQXEVSA-N 1 3 280.416 2.329 10 0 CEAEHO COC(=O)C[C@H]1CCCC[N@@H+]1[C@@H]1C[C@@H](C)CC[C@@H]1CN ZINC000109684952 186268434 /nfs/dbraw/zinc/26/84/34/186268434.db2.gz JUMXJQFSMLBQFC-GBJTYRQASA-N 1 3 282.428 2.168 10 0 CEAEHO COC(=O)C[C@H]1CCCC[N@H+]1[C@@H]1C[C@@H](C)CC[C@@H]1CN ZINC000109684952 186268435 /nfs/dbraw/zinc/26/84/35/186268435.db2.gz JUMXJQFSMLBQFC-GBJTYRQASA-N 1 3 282.428 2.168 10 0 CEAEHO CCc1nc(N2CC[C@H]([NH+](C)C)C2)sc1CNC1CC1 ZINC000110275392 186289965 /nfs/dbraw/zinc/28/99/65/186289965.db2.gz FWKPDVYBDMMBLX-LBPRGKRZSA-N 1 3 294.468 2.098 10 0 CEAEHO [NH2+]=C(NC1CCCCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000110368925 186294563 /nfs/dbraw/zinc/29/45/63/186294563.db2.gz NUKFNFIQVFWPMG-OAHLLOKOSA-N 1 3 278.444 2.404 10 0 CEAEHO CC(C)CN(CCN(C)C)C(=O)CC1CCC(C[NH3+])CC1 ZINC000110617790 186304865 /nfs/dbraw/zinc/30/48/65/186304865.db2.gz WPVQTHRBKNQRHR-UHFFFAOYSA-N 1 3 297.487 2.188 10 0 CEAEHO Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CCN(C)C(C)(C)C2)cc1 ZINC000110704643 186314763 /nfs/dbraw/zinc/31/47/63/186314763.db2.gz GQMPDXLOUSKUNO-GDBMZVCRSA-N 1 3 275.440 2.409 10 0 CEAEHO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CCN(C)C(C)(C)C1 ZINC000110716905 186315922 /nfs/dbraw/zinc/31/59/22/186315922.db2.gz WWRUKEHXXASRDA-KKUMJFAQSA-N 1 3 267.461 2.179 10 0 CEAEHO Cc1ccc([C@@H]([NH3+])CN2CCN(C)C(C)(C)C2)cc1 ZINC000110716473 186316142 /nfs/dbraw/zinc/31/61/42/186316142.db2.gz HNAMYZZSSGMDLC-HNNXBMFYSA-N 1 3 261.413 2.021 10 0 CEAEHO CCC[C@](C)(C[NH2+]CC)CN1CCN(C)C(C)(C)C1 ZINC000110747095 186320014 /nfs/dbraw/zinc/32/00/14/186320014.db2.gz WTSXKSNZPHOMMM-MRXNPFEDSA-N 1 3 269.477 2.428 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C[NH3+])c2cccc(F)c2F)CC1 ZINC000111039971 186347294 /nfs/dbraw/zinc/34/72/94/186347294.db2.gz OMMXUDOOJDPPSY-WFASDCNBSA-N 1 3 297.393 2.381 10 0 CEAEHO CCc1nc(N(C)CCN(C)C)sc1C[NH2+]C(C)C ZINC000111151756 186360975 /nfs/dbraw/zinc/36/09/75/186360975.db2.gz ICKDUDBTWLSFSG-UHFFFAOYSA-N 1 3 284.473 2.201 10 0 CEAEHO CCCNCc1ccc(CN(C)CCC[NH+](C)C)o1 ZINC000111150136 186361001 /nfs/dbraw/zinc/36/10/01/186361001.db2.gz DRGQPEBHMIAVCK-UHFFFAOYSA-N 1 3 267.417 2.163 10 0 CEAEHO CN(C)CCN(C)[C@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000111132978 186355856 /nfs/dbraw/zinc/35/58/56/186355856.db2.gz VUMUMAHAPOWDOC-CYBMUJFWSA-N 1 3 289.345 2.199 10 0 CEAEHO CCCOc1ccc([C@H](N)CN(C)CCC[NH+](C)C)cc1 ZINC000111136552 186357262 /nfs/dbraw/zinc/35/72/62/186357262.db2.gz BRBWMSFUAYCTAV-QGZVFWFLSA-N 1 3 293.455 2.359 10 0 CEAEHO CCC[NH2+]CC(C)(C)CN(C)C[C@H]1CCCOC1 ZINC000111171906 186365582 /nfs/dbraw/zinc/36/55/82/186365582.db2.gz ZBXWUUAOXJRVST-CQSZACIVSA-N 1 3 256.434 2.371 10 0 CEAEHO CO[C@@H]1CN(CCC(C)(C)C2CC2)[C@@](C)(C[NH3+])C1 ZINC000630369554 351714048 /nfs/dbraw/zinc/71/40/48/351714048.db2.gz WJHCKBUZBGMYIT-DZGCQCFKSA-N 1 3 254.418 2.251 10 0 CEAEHO Cc1cc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)c2ccccc2n1 ZINC000156548979 540008337 /nfs/dbraw/zinc/00/83/37/540008337.db2.gz SIINFYDKINVCAI-MLGOLLRUSA-N 1 3 271.364 2.096 10 0 CEAEHO C[C@H]([NH2+]CCCOc1ccccc1)[C@H]1CCCNC1 ZINC000578004988 366429128 /nfs/dbraw/zinc/42/91/28/366429128.db2.gz ZCGRRXCNDLBPHP-GJZGRUSLSA-N 1 3 262.397 2.433 10 0 CEAEHO C[C@H](NCCCOc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000578004988 366429131 /nfs/dbraw/zinc/42/91/31/366429131.db2.gz ZCGRRXCNDLBPHP-GJZGRUSLSA-N 1 3 262.397 2.433 10 0 CEAEHO O[C@@H]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000085977619 363836842 /nfs/dbraw/zinc/83/68/42/363836842.db2.gz IITRRLIHXICVIO-RHSMWYFYSA-N 1 3 289.423 2.191 10 0 CEAEHO C[C@H]1CN(CCSc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000631837692 367577386 /nfs/dbraw/zinc/57/73/86/367577386.db2.gz WFIHSTUJTNAMJS-NWDGAFQWSA-N 1 3 268.401 2.444 10 0 CEAEHO CC(C)C[C@H](CN(C)C)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000185343106 368791328 /nfs/dbraw/zinc/79/13/28/368791328.db2.gz MPIVQLIXOOAFLY-OAHLLOKOSA-N 1 3 297.487 2.378 10 0 CEAEHO CCOCCN1CCN(c2cc[nH+]cc2C)C[C@H]1CC ZINC000191980676 369760301 /nfs/dbraw/zinc/76/03/01/369760301.db2.gz NQYBMFGINWCXFO-OAHLLOKOSA-N 1 3 277.412 2.327 10 0 CEAEHO C(C1CC[NH2+]CC1)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000262274970 371845415 /nfs/dbraw/zinc/84/54/15/371845415.db2.gz SZDWUOMKZLPEHB-AWEZNQCLSA-N 1 3 290.411 2.126 10 0 CEAEHO CCc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000380177753 375159697 /nfs/dbraw/zinc/15/96/97/375159697.db2.gz ODQYIZCGMBJVNX-LEWSCRJBSA-N 1 3 250.411 2.480 10 0 CEAEHO CCC1(CC)[C@H](NC[C@H](O)C[NH+]2CCCCC2)C[C@@H]1OC ZINC000181560613 542274155 /nfs/dbraw/zinc/27/41/55/542274155.db2.gz JDUQZKIGTCEBOC-XHSDSOJGSA-N 1 3 298.471 2.017 10 0 CEAEHO C[NH2+][C@H](CN1CCN2CCCC[C@@H]2C1)c1cccc(C)c1 ZINC000094439110 184799537 /nfs/dbraw/zinc/79/95/37/184799537.db2.gz LTAQXCNMKRPQRS-QZTJIDSGSA-N 1 3 287.451 2.426 10 0 CEAEHO Cc1ccc([C@H]([NH3+])CN2CCN3CCCC[C@@H]3C2)cc1C ZINC000094439184 184799562 /nfs/dbraw/zinc/79/95/62/184799562.db2.gz DDJHVAKSUNDSRI-QZTJIDSGSA-N 1 3 287.451 2.473 10 0 CEAEHO Nc1ccc2[nH]c(NCC[NH+]3CCCCC3)nc2c1 ZINC000094770628 184858012 /nfs/dbraw/zinc/85/80/12/184858012.db2.gz JCHMHWMBTLILGV-UHFFFAOYSA-N 1 3 259.357 2.043 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@]2(C[NH3+])CSCC(C)(C)C2)CC1 ZINC000094489498 184809606 /nfs/dbraw/zinc/80/96/06/184809606.db2.gz OKFHGYPFMHJHTQ-ZBFHGGJFSA-N 1 3 299.528 2.263 10 0 CEAEHO CC(C)C[C@](C)(O)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000090270704 135062978 /nfs/dbraw/zinc/06/29/78/135062978.db2.gz GXFMOTLXXXIFII-KRWDZBQOSA-N 1 3 291.439 2.437 10 0 CEAEHO Cc1cccc(N2CCN(C[C@H]3C=C[C@@H]([NH3+])C3)CC2)c1 ZINC000092208891 135075754 /nfs/dbraw/zinc/07/57/54/135075754.db2.gz BXLJSODLCJFMKR-JKSUJKDBSA-N 1 3 271.408 2.020 10 0 CEAEHO [NH3+][C@H]1C=C[C@@H](CN2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000092208903 135075812 /nfs/dbraw/zinc/07/58/12/135075812.db2.gz HSCUFMJABQSVQB-HIFRSBDPSA-N 1 3 291.826 2.365 10 0 CEAEHO Cc1cccc(N2CCN(C[C@@H]3C=C[C@H]([NH3+])C3)CC2)c1 ZINC000092208897 135075836 /nfs/dbraw/zinc/07/58/36/135075836.db2.gz BXLJSODLCJFMKR-CVEARBPZSA-N 1 3 271.408 2.020 10 0 CEAEHO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc(Cl)c(CN)n1 ZINC000094443305 135088767 /nfs/dbraw/zinc/08/87/67/135088767.db2.gz UIKZPBWBADYWDB-NWDGAFQWSA-N 1 3 294.830 2.257 10 0 CEAEHO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc(Cl)c(CN)n1 ZINC000094443305 135088769 /nfs/dbraw/zinc/08/87/69/135088769.db2.gz UIKZPBWBADYWDB-NWDGAFQWSA-N 1 3 294.830 2.257 10 0 CEAEHO Cc1cc(CC[NH3+])ccc1N1CCN2CCCC[C@@H]2C1 ZINC000094444542 135088844 /nfs/dbraw/zinc/08/88/44/135088844.db2.gz GWNWPWJXXAGOGT-MRXNPFEDSA-N 1 3 273.424 2.171 10 0 CEAEHO CO[C@H](CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000380979626 395170646 /nfs/dbraw/zinc/17/06/46/395170646.db2.gz FWTXHEKDQIXQQP-ZJIFWQFVSA-N 1 3 260.381 2.043 10 0 CEAEHO CO[C@H](CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000380979614 395171578 /nfs/dbraw/zinc/17/15/78/395171578.db2.gz FWTXHEKDQIXQQP-CAOSSQGBSA-N 1 3 260.381 2.043 10 0 CEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000165344814 162344368 /nfs/dbraw/zinc/34/43/68/162344368.db2.gz SVQJTKQBTGIWME-ZBFHGGJFSA-N 1 3 297.487 2.105 10 0 CEAEHO CC(C)[C@@H](C[NH2+]C1CCN(C(C)C)CC1)N(C)C ZINC000020145509 171030955 /nfs/dbraw/zinc/03/09/55/171030955.db2.gz ZVGYKIPCIZLKDL-OAHLLOKOSA-N 1 3 255.450 2.035 10 0 CEAEHO C[C@H]1C[C@H](C)C[NH+](CCC(=O)Nc2cccc(CN)c2)C1 ZINC000022162620 171364482 /nfs/dbraw/zinc/36/44/82/171364482.db2.gz FWILDUDCYXJPBV-KBPBESRZSA-N 1 3 289.423 2.452 10 0 CEAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCC(=O)Nc2ccccc2CN)C1 ZINC000022221317 171378097 /nfs/dbraw/zinc/37/80/97/171378097.db2.gz IGTOSVCDNFRIRF-OKILXGFUSA-N 1 3 289.423 2.452 10 0 CEAEHO C[C@@H]1C[C@H](C)C[N@H+](CCC(=O)Nc2ccccc2CN)C1 ZINC000022221317 171378100 /nfs/dbraw/zinc/37/81/00/171378100.db2.gz IGTOSVCDNFRIRF-OKILXGFUSA-N 1 3 289.423 2.452 10 0 CEAEHO CC(C)N1CCN(C2(C[NH3+])CCCCCC2)CC1 ZINC000036170740 172490102 /nfs/dbraw/zinc/49/01/02/172490102.db2.gz JUVOSNYAJKLOIV-UHFFFAOYSA-N 1 3 253.434 2.064 10 0 CEAEHO CCCCCC[C@](C)(CN)[NH+](CCOC)CCOC ZINC000037489491 173231812 /nfs/dbraw/zinc/23/18/12/173231812.db2.gz FLLLNBQVNCIPSV-OAHLLOKOSA-N 1 3 274.449 2.269 10 0 CEAEHO FC(F)(F)[C@H]1CCCC[C@@H]1NC1CC[NH2+]CC1 ZINC000038041262 174042331 /nfs/dbraw/zinc/04/23/31/174042331.db2.gz KPRMOJJSWGHKIU-QWRGUYRKSA-N 1 3 250.308 2.449 10 0 CEAEHO FC(F)(F)[C@H]1CCCC[C@@H]1[NH2+]C1CCNCC1 ZINC000038041262 174042334 /nfs/dbraw/zinc/04/23/34/174042334.db2.gz KPRMOJJSWGHKIU-QWRGUYRKSA-N 1 3 250.308 2.449 10 0 CEAEHO c1ccc([C@@H](CN[C@@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000043324489 175007030 /nfs/dbraw/zinc/00/70/30/175007030.db2.gz ZPEDGGOLPPUVNF-IAGOWNOFSA-N 1 3 273.424 2.165 10 0 CEAEHO NC[C@@H](c1ccncc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000043353920 175020676 /nfs/dbraw/zinc/02/06/76/175020676.db2.gz SKGGSUUFUUKEPU-KRWDZBQOSA-N 1 3 288.439 2.032 10 0 CEAEHO CC[C@H]([NH3+])[C@@H](N(CCN(C)C)CC(C)C)C(F)(F)F ZINC000043379261 175030843 /nfs/dbraw/zinc/03/08/43/175030843.db2.gz NRPICWKTJXFOQX-NWDGAFQWSA-N 1 3 283.382 2.174 10 0 CEAEHO Cc1cc(C)cc([C@H](CN)N2CCC([NH+](C)C)CC2)c1 ZINC000043394179 175034981 /nfs/dbraw/zinc/03/49/81/175034981.db2.gz JILOHXISOJVHOM-KRWDZBQOSA-N 1 3 275.440 2.329 10 0 CEAEHO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N(C)C1CCN(C)CC1 ZINC000043815308 175112655 /nfs/dbraw/zinc/11/26/55/175112655.db2.gz DATJXMPSLQQYBN-BPUTZDHNSA-N 1 3 267.461 2.179 10 0 CEAEHO C[NH2+][C@@H]1CCCCC[C@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965465 175127021 /nfs/dbraw/zinc/12/70/21/175127021.db2.gz GZMQWUMCLDWLJS-HUUCEWRRSA-N 1 3 267.461 2.323 10 0 CEAEHO CCC[NH2+][C@@H](CN1CCN(CC2CC2)CC1)C(C)(C)C ZINC000043967990 175128934 /nfs/dbraw/zinc/12/89/34/175128934.db2.gz DCNLKUOUPAXDLM-INIZCTEOSA-N 1 3 281.488 2.428 10 0 CEAEHO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CCN(CC2CC2)CC1 ZINC000043967921 175129131 /nfs/dbraw/zinc/12/91/31/175129131.db2.gz CSULSQHHWBWVLF-OIISXLGYSA-N 1 3 279.472 2.181 10 0 CEAEHO CC(C)N1CCC(CN)([N@H+](C)CC(C)(C)C)CC1 ZINC000045070472 175301506 /nfs/dbraw/zinc/30/15/06/175301506.db2.gz WBPBDPDKRXQHFV-UHFFFAOYSA-N 1 3 255.450 2.166 10 0 CEAEHO CC(C)N1CCC(CN)([N@@H+](C)CC(C)(C)C)CC1 ZINC000045070472 175301508 /nfs/dbraw/zinc/30/15/08/175301508.db2.gz WBPBDPDKRXQHFV-UHFFFAOYSA-N 1 3 255.450 2.166 10 0 CEAEHO CC(C)N[C@@](C)(CCC[NH+]1CCCCCCC1)C(N)=O ZINC000045371648 175364294 /nfs/dbraw/zinc/36/42/94/175364294.db2.gz XTRMEVGKPRYRAL-INIZCTEOSA-N 1 3 283.460 2.275 10 0 CEAEHO CC[C@H]1CCCC[C@@]1(C[NH3+])N(CCOC)C1CC1 ZINC000071161893 176046461 /nfs/dbraw/zinc/04/64/61/176046461.db2.gz WCSGAWSWYLCRJB-ZFWWWQNUSA-N 1 3 254.418 2.395 10 0 CEAEHO CCC[C@@H]1CC[C@@H](CN)[C@H]([N@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071188220 176063028 /nfs/dbraw/zinc/06/30/28/176063028.db2.gz QQFJLNSMDZZAGG-WCXIOVBPSA-N 1 3 281.488 2.414 10 0 CEAEHO CCC[C@@H]1CC[C@@H](CN)[C@H]([N@@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071188220 176063030 /nfs/dbraw/zinc/06/30/30/176063030.db2.gz QQFJLNSMDZZAGG-WCXIOVBPSA-N 1 3 281.488 2.414 10 0 CEAEHO CC(C)C[C@@H](CN(C)C)N1CC[C@H]([NH2+]C(C)C)C1 ZINC000071200579 176077733 /nfs/dbraw/zinc/07/77/33/176077733.db2.gz PYZNVUGDBMVCRG-GJZGRUSLSA-N 1 3 255.450 2.035 10 0 CEAEHO CCCN([C@@H]1CC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000071314814 176120985 /nfs/dbraw/zinc/12/09/85/176120985.db2.gz FYXGRBLLEUGRFW-QZTJIDSGSA-N 1 3 287.451 2.335 10 0 CEAEHO CC[C@@H]1C[N@H+](CCn2ccnc2C)[C@H](C(C)(C)C)CN1 ZINC000071344284 176130755 /nfs/dbraw/zinc/13/07/55/176130755.db2.gz TYAUNAHFLSNKOT-CABCVRRESA-N 1 3 278.444 2.290 10 0 CEAEHO CC[C@@H]1C[N@@H+](CCn2ccnc2C)[C@H](C(C)(C)C)CN1 ZINC000071344284 176130756 /nfs/dbraw/zinc/13/07/56/176130756.db2.gz TYAUNAHFLSNKOT-CABCVRRESA-N 1 3 278.444 2.290 10 0 CEAEHO C[C@H](CN1CCCC1)NC(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000079292548 177465414 /nfs/dbraw/zinc/46/54/14/177465414.db2.gz OZNWKOSJNSCXGB-HUUCEWRRSA-N 1 3 297.487 2.378 10 0 CEAEHO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@H]1CN ZINC000250966934 274498227 /nfs/dbraw/zinc/49/82/27/274498227.db2.gz CLEXVVSCXPSZKM-OSAQELSMSA-N 1 3 250.361 2.474 10 0 CEAEHO C[C@H](NCCSc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400428567 278259729 /nfs/dbraw/zinc/25/97/29/278259729.db2.gz ZKEDVGWASCYYTK-STQMWFEESA-N 1 3 250.411 2.366 10 0 CEAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000246085286 280272778 /nfs/dbraw/zinc/27/27/78/280272778.db2.gz IHSGDPILJSBIKE-YHUYYLMFSA-N 1 3 297.487 2.340 10 0 CEAEHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000263316751 304837285 /nfs/dbraw/zinc/83/72/85/304837285.db2.gz ZOXFZWWNZQIPLG-UIBBOPPKSA-N 1 3 294.826 2.146 10 0 CEAEHO CC(C)C[NH2+]CCCCN1CCN(C(C)C)CC1 ZINC000052479970 519743373 /nfs/dbraw/zinc/74/33/73/519743373.db2.gz WAEGSLBLNRBMQY-UHFFFAOYSA-N 1 3 255.450 2.038 10 0 CEAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C)CC1 ZINC000054628032 519907429 /nfs/dbraw/zinc/90/74/29/519907429.db2.gz URJGDZXCBISLCI-VHRNVKJDSA-N 1 3 265.445 2.076 10 0 CEAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C)CC1 ZINC000054628032 519907431 /nfs/dbraw/zinc/90/74/31/519907431.db2.gz URJGDZXCBISLCI-VHRNVKJDSA-N 1 3 265.445 2.076 10 0 CEAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCOCC1 ZINC000054628238 519907715 /nfs/dbraw/zinc/90/77/15/519907715.db2.gz ZVZJIMZBUCHXKT-LQDVMPOASA-N 1 3 252.402 2.160 10 0 CEAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCOCC1 ZINC000054628238 519907716 /nfs/dbraw/zinc/90/77/16/519907716.db2.gz ZVZJIMZBUCHXKT-LQDVMPOASA-N 1 3 252.402 2.160 10 0 CEAEHO CCC[NH2+]Cc1cnc(N(CCC)CCN(C)C)s1 ZINC000054908133 519961176 /nfs/dbraw/zinc/96/11/76/519961176.db2.gz DLAFUXHNXHSNLF-UHFFFAOYSA-N 1 3 284.473 2.421 10 0 CEAEHO CCN(CC)CCc1nc(C)c([C@@H](C)C[NH3+])c(C)n1 ZINC000054837043 520710798 /nfs/dbraw/zinc/71/07/98/520710798.db2.gz LMBJVVAZQRBDGG-NSHDSACASA-N 1 3 264.417 2.040 10 0 CEAEHO CCN(CC1(C[NH2+]C2CC2)CCOCC1)C1CC1 ZINC000052181258 520937294 /nfs/dbraw/zinc/93/72/94/520937294.db2.gz IUTWFVICVITVGK-UHFFFAOYSA-N 1 3 252.402 2.020 10 0 CEAEHO CC[N@H+](CC1(CNC2CC2)CCOCC1)C1CC1 ZINC000052181258 520937299 /nfs/dbraw/zinc/93/72/99/520937299.db2.gz IUTWFVICVITVGK-UHFFFAOYSA-N 1 3 252.402 2.020 10 0 CEAEHO CC[N@@H+](CC1(CNC2CC2)CCOCC1)C1CC1 ZINC000052181258 520937304 /nfs/dbraw/zinc/93/73/04/520937304.db2.gz IUTWFVICVITVGK-UHFFFAOYSA-N 1 3 252.402 2.020 10 0 CEAEHO C[NH2+][C@@H]1CCCCCC[C@@H]1N1CCC[C@@H]1CN(C)C ZINC000061643424 522376965 /nfs/dbraw/zinc/37/69/65/522376965.db2.gz RGUMEGHYCAHOFJ-OAGGEKHMSA-N 1 3 267.461 2.323 10 0 CEAEHO CC(C)CN1CCN(CCC[NH2+]C(C)(C)C)CC1 ZINC000055075839 519725322 /nfs/dbraw/zinc/72/53/22/519725322.db2.gz QNWUYTACIVGOEU-UHFFFAOYSA-N 1 3 255.450 2.038 10 0 CEAEHO CC(C)CN1CCN(CC[NH2+]C2CCC(C)CC2)CC1 ZINC000055076083 519726126 /nfs/dbraw/zinc/72/61/26/519726126.db2.gz VJTHIZSTTGTEMM-UHFFFAOYSA-N 1 3 281.488 2.428 10 0 CEAEHO CC(C)CN1CCN([C@@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000055075863 519727585 /nfs/dbraw/zinc/72/75/85/519727585.db2.gz YWSBQHYWMBXQJS-AWEZNQCLSA-N 1 3 255.450 2.037 10 0 CEAEHO CCCN1CCC([NH2+][C@H](CN(C)C)C(C)C)CC1 ZINC000049195269 519847527 /nfs/dbraw/zinc/84/75/27/519847527.db2.gz WTEPHXYEJKKDJW-OAHLLOKOSA-N 1 3 255.450 2.037 10 0 CEAEHO CCC[NH2+]CCCCN1CCN([C@@H](C)CC)CC1 ZINC000055074530 519912187 /nfs/dbraw/zinc/91/21/87/519912187.db2.gz USBHYKUNSISRSQ-HNNXBMFYSA-N 1 3 255.450 2.182 10 0 CEAEHO CC[NH2+]CCCO[C@@H]1CCN(Cc2ccccc2)C1 ZINC000061702354 519920336 /nfs/dbraw/zinc/92/03/36/519920336.db2.gz MFEWZNSYUYUDAL-MRXNPFEDSA-N 1 3 262.397 2.277 10 0 CEAEHO CCC[NH2+]C[C@H](C(C)C)N1CCN(C(C)(C)C)CC1 ZINC000052571554 519930329 /nfs/dbraw/zinc/93/03/29/519930329.db2.gz YIRQJYCCBQXSNJ-OAHLLOKOSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[NH2+]C[C@@H](C)C(=O)Nc1cccc(CN2CCCC2)c1 ZINC000061231763 519941776 /nfs/dbraw/zinc/94/17/76/519941776.db2.gz XZAVEPYWUZGNMG-CQSZACIVSA-N 1 3 289.423 2.467 10 0 CEAEHO CCC[NH2+]Cc1ccc(CN2CCN(C3CC3)CC2)cc1 ZINC000052371381 519946973 /nfs/dbraw/zinc/94/69/73/519946973.db2.gz LXHIHQBFKSNOPY-UHFFFAOYSA-N 1 3 287.451 2.466 10 0 CEAEHO CC[NH2+]C[C@H](C(C)C)N1CCN(C(C)(C)C)CC1 ZINC000052571552 519957791 /nfs/dbraw/zinc/95/77/91/519957791.db2.gz KCMMMDDBGPGTTD-CQSZACIVSA-N 1 3 255.450 2.037 10 0 CEAEHO CCCNCc1ccoc1COCCC[NH+](C)C ZINC000052672335 519960435 /nfs/dbraw/zinc/96/04/35/519960435.db2.gz RYDBBCYGUDTXAM-UHFFFAOYSA-N 1 3 254.374 2.248 10 0 CEAEHO CC[NH2+]Cc1sc(N2CCCN(C)CC2)nc1C1CC1 ZINC000069146550 520033259 /nfs/dbraw/zinc/03/32/59/520033259.db2.gz GELACOCYEJBKGI-UHFFFAOYSA-N 1 3 294.468 2.272 10 0 CEAEHO CC[NH2+][C@@H](C)CC(=O)NCCCN(C)Cc1ccccc1 ZINC000061268942 520063146 /nfs/dbraw/zinc/06/31/46/520063146.db2.gz YCAPGLVLSVNXOL-HNNXBMFYSA-N 1 3 291.439 2.013 10 0 CEAEHO CC[NH2+][C@H](CC)[C@H](C)N1CCN(CC(C)C)CC1 ZINC000055079132 520182762 /nfs/dbraw/zinc/18/27/62/520182762.db2.gz IUARQHIMRJALOA-LSDHHAIUSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[NH2+][C@H]1CCCC[C@@H]1N1CCN([C@@H](C)CC)CC1 ZINC000055065653 520214640 /nfs/dbraw/zinc/21/46/40/520214640.db2.gz XOTSMKBLSRCJND-JYJNAYRXSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[NH2+][C@H]1CCC[C@H]1CN1CCN(CC(C)C)CC1 ZINC000055081863 520216405 /nfs/dbraw/zinc/21/64/05/520216405.db2.gz GNTBBKYIAGSTPL-HOTGVXAUSA-N 1 3 267.461 2.038 10 0 CEAEHO CCN[C@H]1COc2cc(OCC[NH+]3CCCC3)ccc21 ZINC000062804656 520221223 /nfs/dbraw/zinc/22/12/23/520221223.db2.gz YGONLMASCCVWHI-HNNXBMFYSA-N 1 3 276.380 2.204 10 0 CEAEHO CCCCC[C@@H](C[NH3+])N1CCN([C@H](C)CC)CC1 ZINC000055064795 520292599 /nfs/dbraw/zinc/29/25/99/520292599.db2.gz USVWQZGPLUFCAK-CABCVRRESA-N 1 3 255.450 2.310 10 0 CEAEHO CCNc1ncccc1CN1CCC(C[NH+](C)C)CC1 ZINC000052725799 520378055 /nfs/dbraw/zinc/37/80/55/520378055.db2.gz RGMBQYQTTXFPEY-UHFFFAOYSA-N 1 3 276.428 2.287 10 0 CEAEHO CCN(CC)CCc1nc(C)c(CCC[NH2+]C)c(C)n1 ZINC000054837363 520712343 /nfs/dbraw/zinc/71/23/43/520712343.db2.gz UBRWGSNDKXLMIT-UHFFFAOYSA-N 1 3 278.444 2.130 10 0 CEAEHO CCC[C@@H]1CN[C@H](C(C)C)C[N@@H+]1CCn1ccnc1C ZINC000068695577 520845018 /nfs/dbraw/zinc/84/50/18/520845018.db2.gz DWXRWQQJECNDJJ-CVEARBPZSA-N 1 3 278.444 2.290 10 0 CEAEHO CCC[C@@H]1CN[C@H](C(C)C)C[N@H+]1CCn1ccnc1C ZINC000068695577 520845025 /nfs/dbraw/zinc/84/50/25/520845025.db2.gz DWXRWQQJECNDJJ-CVEARBPZSA-N 1 3 278.444 2.290 10 0 CEAEHO C[NH2+]CCC[C@@H](C)N1CCc2cc(OC)c(OC)cc2C1 ZINC000052417245 521996741 /nfs/dbraw/zinc/99/67/41/521996741.db2.gz FATLSQNFRRBMCZ-CYBMUJFWSA-N 1 3 292.423 2.450 10 0 CEAEHO C[NH2+]CCC[C@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000052418219 521999865 /nfs/dbraw/zinc/99/98/65/521999865.db2.gz FCXIVZZOUSFXQX-AWEZNQCLSA-N 1 3 279.403 2.336 10 0 CEAEHO CC[C@@H](C)N1CCN(CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000055072415 522120565 /nfs/dbraw/zinc/12/05/65/522120565.db2.gz IFLQDAKJZHDISP-NVXWUHKLSA-N 1 3 275.440 2.493 10 0 CEAEHO CC[C@@H](C)N1CCN(CC[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000055072431 522122026 /nfs/dbraw/zinc/12/20/26/522122026.db2.gz YWOVBCBHZKTBKE-ZIAGYGMSSA-N 1 3 255.450 2.166 10 0 CEAEHO C[NH2+]Cc1ccc(OCCN2CCCSCC2)cc1 ZINC000052371080 522122843 /nfs/dbraw/zinc/12/28/43/522122843.db2.gz PIGNDXUJDSPZDF-UHFFFAOYSA-N 1 3 280.437 2.224 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@@](C)(C[NH3+])c2ccccc2)CC1 ZINC000055072024 522123268 /nfs/dbraw/zinc/12/32/68/522123268.db2.gz KAHGDJSKHJDPFT-SJLPKXTDSA-N 1 3 289.467 2.319 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000055083470 522123824 /nfs/dbraw/zinc/12/38/24/522123824.db2.gz TXOHDUHOHARMAB-TWMKSMIVSA-N 1 3 279.472 2.323 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055067283 522128801 /nfs/dbraw/zinc/12/88/01/522128801.db2.gz HZIQAZLCTBPWNC-ZBFHGGJFSA-N 1 3 288.439 2.470 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](C[NH3+])c2ccccc2C)CC1 ZINC000055064083 522129487 /nfs/dbraw/zinc/12/94/87/522129487.db2.gz LBBVFGQRRLFVOF-WBVHZDCISA-N 1 3 275.440 2.411 10 0 CEAEHO CC[C@H](C[NH2+]CC(C)C)N(C)C1CCN(C)CC1 ZINC000052419791 522195187 /nfs/dbraw/zinc/19/51/87/522195187.db2.gz PTNYCMURMPTRGB-CQSZACIVSA-N 1 3 255.450 2.037 10 0 CEAEHO COC[C@@H](C)N(C)Cc1oc2ccccc2c1C[NH3+] ZINC000052511737 522220189 /nfs/dbraw/zinc/22/01/89/522220189.db2.gz CYLYETXIFZUJIK-LLVKDONJSA-N 1 3 262.353 2.358 10 0 CEAEHO CN1CCC([N@H+](C)[C@H]2CCCc3ccccc3[C@@H]2N)CC1 ZINC000052684809 522414487 /nfs/dbraw/zinc/41/44/87/522414487.db2.gz KIYLZVNILKGMOU-ROUUACIJSA-N 1 3 287.451 2.417 10 0 CEAEHO CN1CCC([N@@H+](C)[C@H]2CCCc3ccccc3[C@@H]2N)CC1 ZINC000052684809 522414498 /nfs/dbraw/zinc/41/44/98/522414498.db2.gz KIYLZVNILKGMOU-ROUUACIJSA-N 1 3 287.451 2.417 10 0 CEAEHO COCC[N@H+](C1CC1)[C@@H]1C[C@H](C(C)C)CC[C@@H]1N ZINC000054555503 523642153 /nfs/dbraw/zinc/64/21/53/523642153.db2.gz MRZMUWKNBWEKSJ-VHDGCEQUSA-N 1 3 254.418 2.249 10 0 CEAEHO COCC[N@@H+](C1CC1)[C@@H]1C[C@H](C(C)C)CC[C@@H]1N ZINC000054555503 523642156 /nfs/dbraw/zinc/64/21/56/523642156.db2.gz MRZMUWKNBWEKSJ-VHDGCEQUSA-N 1 3 254.418 2.249 10 0 CEAEHO CN(c1cccc(Cl)c1C(N)=[NH2+])C1CCN(C)CC1 ZINC000052904727 523647203 /nfs/dbraw/zinc/64/72/03/523647203.db2.gz MNGBWFALFODYAD-UHFFFAOYSA-N 1 3 280.803 2.154 10 0 CEAEHO CC[C@H](C)N1CCN(CCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000055083444 523953379 /nfs/dbraw/zinc/95/33/79/523953379.db2.gz XOYRHOMWNZZQSV-HOTGVXAUSA-N 1 3 267.461 2.182 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C[NH3+])c2ccccc2F)CC1 ZINC000055064011 523958491 /nfs/dbraw/zinc/95/84/91/523958491.db2.gz AQFOOQQNLVBSOC-BBRMVZONSA-N 1 3 279.403 2.242 10 0 CEAEHO C[C@H]1CCC[N@@H+]1CC1(CNC2CC2)CCOCC1 ZINC000052180447 524121636 /nfs/dbraw/zinc/12/16/36/524121636.db2.gz BUFUFIPZELCGGK-ZDUSSCGKSA-N 1 3 252.402 2.020 10 0 CEAEHO C[C@H]1CCC[N@H+]1CC1(CNC2CC2)CCOCC1 ZINC000052180447 524121644 /nfs/dbraw/zinc/12/16/44/524121644.db2.gz BUFUFIPZELCGGK-ZDUSSCGKSA-N 1 3 252.402 2.020 10 0 CEAEHO Cc1ccc(CN(C)CC2(C[NH3+])CCOCC2)cc1 ZINC000052181112 524391612 /nfs/dbraw/zinc/39/16/12/524391612.db2.gz WQOWHFHFTIRCPC-UHFFFAOYSA-N 1 3 262.397 2.182 10 0 CEAEHO Cc1ccc(C[N@@H+](C)CC2(CN)CCOCC2)cc1 ZINC000052181112 524391619 /nfs/dbraw/zinc/39/16/19/524391619.db2.gz WQOWHFHFTIRCPC-UHFFFAOYSA-N 1 3 262.397 2.182 10 0 CEAEHO Cc1ccc(C[N@H+](C)CC2(CN)CCOCC2)cc1 ZINC000052181112 524391631 /nfs/dbraw/zinc/39/16/31/524391631.db2.gz WQOWHFHFTIRCPC-UHFFFAOYSA-N 1 3 262.397 2.182 10 0 CEAEHO Cc1cc(CNC2CC[NH+](C3CC3)CC2)c(C)n1C ZINC000052790225 524752280 /nfs/dbraw/zinc/75/22/80/524752280.db2.gz NDSPJDHEJPJEHG-UHFFFAOYSA-N 1 3 261.413 2.358 10 0 CEAEHO Cc1csc2nc(C)c(C[NH2+][C@@H](C)CCN(C)C)n12 ZINC000049554051 526452553 /nfs/dbraw/zinc/45/25/53/526452553.db2.gz BHSRANAOPYCERJ-JTQLQIEISA-N 1 3 280.441 2.442 10 0 CEAEHO NNc1cc(CN2CC[C@@H]3CCCC[C@@H]3C2)cc[nH+]1 ZINC000052718535 527274187 /nfs/dbraw/zinc/27/41/87/527274187.db2.gz PCJBLDJXNQUSPP-UONOGXRCSA-N 1 3 260.385 2.379 10 0 CEAEHO NNc1cc(CN2CC[C@@H](c3ccccc3)C2)cc[nH+]1 ZINC000052718692 527274625 /nfs/dbraw/zinc/27/46/25/527274625.db2.gz OQEXLVQJJIFYJD-OAHLLOKOSA-N 1 3 268.364 2.357 10 0 CEAEHO Cc1nn(C)c(C)c1[C@@H]1[C@@H](C[NH3+])CCCCN1C1CC1 ZINC000070291669 527659594 /nfs/dbraw/zinc/65/95/94/527659594.db2.gz SKDSWAMZJHUDFI-CJNGLKHVSA-N 1 3 276.428 2.301 10 0 CEAEHO Cc1ccccc1OCCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000311831378 627702797 /nfs/dbraw/zinc/70/27/97/627702797.db2.gz PDHODLBDSJMHMH-KKUMJFAQSA-N 1 3 260.381 2.043 10 0 CEAEHO CCCN[C@@H](CO)CC[N@H+](CCC(C)C)C1CC1 ZINC000096836947 185116744 /nfs/dbraw/zinc/11/67/44/185116744.db2.gz KFWCKAAVNHAXRD-CQSZACIVSA-N 1 3 256.434 2.248 10 0 CEAEHO CCCN[C@@H](CO)CC[N@@H+](CCC(C)C)C1CC1 ZINC000096836947 185116746 /nfs/dbraw/zinc/11/67/46/185116746.db2.gz KFWCKAAVNHAXRD-CQSZACIVSA-N 1 3 256.434 2.248 10 0 CEAEHO CCCC[N@H+](C)CC1CCN(C(=O)[C@H](N)CCC)CC1 ZINC000037825981 361951336 /nfs/dbraw/zinc/95/13/36/361951336.db2.gz FDWPXMMNIWSAIX-OAHLLOKOSA-N 1 3 283.460 2.084 10 0 CEAEHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](N)CCC)CC1 ZINC000037825981 361951337 /nfs/dbraw/zinc/95/13/37/361951337.db2.gz FDWPXMMNIWSAIX-OAHLLOKOSA-N 1 3 283.460 2.084 10 0 CEAEHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@]1(C)CCCCN1 ZINC000136193303 344383937 /nfs/dbraw/zinc/38/39/37/344383937.db2.gz LHMLWLNGXSKWOS-GOEBONIOSA-N 1 3 283.460 2.145 10 0 CEAEHO C[C@H]1C[C@H](N2C[C@@H](C)[NH2+][C@@H](C)C2)CN1Cc1ccccc1 ZINC000306571308 344714691 /nfs/dbraw/zinc/71/46/91/344714691.db2.gz FXJGVDUICZTVFH-DFGXFYAUSA-N 1 3 287.451 2.332 10 0 CEAEHO CC(C)([NH3+])CC(=O)Nc1cccc(CN2CCCC2)c1 ZINC000084166617 178811956 /nfs/dbraw/zinc/81/19/56/178811956.db2.gz MNJNLQVKZJTUCV-UHFFFAOYSA-N 1 3 275.396 2.348 10 0 CEAEHO C[N@@H+]1CCCC[C@H]1CN1CCN[C@@](C)(c2ccccc2)C1 ZINC000086145806 179238544 /nfs/dbraw/zinc/23/85/44/179238544.db2.gz WNEADCUYTFEVGM-ZWKOTPCHSA-N 1 3 287.451 2.291 10 0 CEAEHO C[N@H+]1CCCC[C@H]1CN1CCN[C@@](C)(c2ccccc2)C1 ZINC000086145806 179238547 /nfs/dbraw/zinc/23/85/47/179238547.db2.gz WNEADCUYTFEVGM-ZWKOTPCHSA-N 1 3 287.451 2.291 10 0 CEAEHO CC(C)[C@@H]1C[N@H+]([C@@H]2CCN(C3CC3)C2)[C@H](C(C)C)CN1 ZINC000086173853 179244038 /nfs/dbraw/zinc/24/40/38/179244038.db2.gz JKPYZRJOSJDJCD-IKGGRYGDSA-N 1 3 279.472 2.178 10 0 CEAEHO CC(C)[C@@H]1C[N@@H+]([C@@H]2CCN(C3CC3)C2)[C@H](C(C)C)CN1 ZINC000086173853 179244039 /nfs/dbraw/zinc/24/40/39/179244039.db2.gz JKPYZRJOSJDJCD-IKGGRYGDSA-N 1 3 279.472 2.178 10 0 CEAEHO CC(C)[C@@H]1CN([C@@H]2CCN(C3CC3)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086173853 179244040 /nfs/dbraw/zinc/24/40/40/179244040.db2.gz JKPYZRJOSJDJCD-IKGGRYGDSA-N 1 3 279.472 2.178 10 0 CEAEHO CC(C)[C@@H]1C[N@H+](C[C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086173727 179244385 /nfs/dbraw/zinc/24/43/85/179244385.db2.gz AFLHUGRBBIJFPQ-IKGGRYGDSA-N 1 3 281.488 2.283 10 0 CEAEHO CC(C)[C@@H]1C[N@@H+](C[C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086173727 179244388 /nfs/dbraw/zinc/24/43/88/179244388.db2.gz AFLHUGRBBIJFPQ-IKGGRYGDSA-N 1 3 281.488 2.283 10 0 CEAEHO CC(C)[N@@H+]1CC[C@H](CN2CCNC[C@@H]2c2ccccc2)C1 ZINC000086177611 179246184 /nfs/dbraw/zinc/24/61/84/179246184.db2.gz BTKJIWRUZLLTEP-FUHWJXTLSA-N 1 3 287.451 2.363 10 0 CEAEHO CC(C)[N@H+]1CC[C@H](CN2CCNC[C@@H]2c2ccccc2)C1 ZINC000086177611 179246186 /nfs/dbraw/zinc/24/61/86/179246186.db2.gz BTKJIWRUZLLTEP-FUHWJXTLSA-N 1 3 287.451 2.363 10 0 CEAEHO CC(C)[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223183 179252242 /nfs/dbraw/zinc/25/22/42/179252242.db2.gz VZGGZBNVCIBAJF-OAGGEKHMSA-N 1 3 281.488 2.283 10 0 CEAEHO CC(C)[C@H]1CN[C@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223183 179252243 /nfs/dbraw/zinc/25/22/43/179252243.db2.gz VZGGZBNVCIBAJF-OAGGEKHMSA-N 1 3 281.488 2.283 10 0 CEAEHO C[C@H]1CN[C@@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259200 179258156 /nfs/dbraw/zinc/25/81/56/179258156.db2.gz MSFHGSRIGSZLDM-LZLYRXPVSA-N 1 3 287.451 2.363 10 0 CEAEHO C[C@H]1CN[C@@H](c2ccccc2)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259200 179258157 /nfs/dbraw/zinc/25/81/57/179258157.db2.gz MSFHGSRIGSZLDM-LZLYRXPVSA-N 1 3 287.451 2.363 10 0 CEAEHO C1CCC([C@@H]2CN([C@@H]3CN4CCC3CC4)CCC[NH2+]2)CC1 ZINC000086285954 179263714 /nfs/dbraw/zinc/26/37/14/179263714.db2.gz ZDJFUSDJRWUCEJ-ZWKOTPCHSA-N 1 3 291.483 2.325 10 0 CEAEHO CC[C@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1CC1CCN(C)CC1 ZINC000086259012 179256852 /nfs/dbraw/zinc/25/68/52/179256852.db2.gz JDZGONGKYRXWRD-JKSUJKDBSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@H]1CN[C@@H](C(C)(C)C)C[N@H+]1CC1CCN(C)CC1 ZINC000086259012 179256854 /nfs/dbraw/zinc/25/68/54/179256854.db2.gz JDZGONGKYRXWRD-JKSUJKDBSA-N 1 3 281.488 2.427 10 0 CEAEHO CC(C)[NH+]1CCC(O)([C@H]2NCc3ccccc32)CC1 ZINC000086666678 179317080 /nfs/dbraw/zinc/31/70/80/179317080.db2.gz ANXLBAIKHXZGNE-HNNXBMFYSA-N 1 3 260.381 2.066 10 0 CEAEHO CN1CCC[C@@H]([NH2+]Cc2ccccc2-n2cccn2)CC1 ZINC000086818850 179348911 /nfs/dbraw/zinc/34/89/11/179348911.db2.gz QELOEQMJVUJSAQ-MRXNPFEDSA-N 1 3 284.407 2.446 10 0 CEAEHO C[N@@H+]1CCC[C@@H](NCc2ccccc2-n2cccn2)CC1 ZINC000086818850 179348913 /nfs/dbraw/zinc/34/89/13/179348913.db2.gz QELOEQMJVUJSAQ-MRXNPFEDSA-N 1 3 284.407 2.446 10 0 CEAEHO C[N@H+]1CCC[C@@H](NCc2ccccc2-n2cccn2)CC1 ZINC000086818850 179348915 /nfs/dbraw/zinc/34/89/15/179348915.db2.gz QELOEQMJVUJSAQ-MRXNPFEDSA-N 1 3 284.407 2.446 10 0 CEAEHO CC[N@H+](CC1CC1)[C@@]1(CN)CCCN(C(C)C)CC1 ZINC000086848833 179356295 /nfs/dbraw/zinc/35/62/95/179356295.db2.gz NIDIOOBCFJOHBQ-INIZCTEOSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[N@@H+](CC1CC1)[C@@]1(CN)CCCN(C(C)C)CC1 ZINC000086848833 179356296 /nfs/dbraw/zinc/35/62/96/179356296.db2.gz NIDIOOBCFJOHBQ-INIZCTEOSA-N 1 3 267.461 2.310 10 0 CEAEHO CCC(CC)[N@H+](CCOC)[C@]1(CN)CCCN(CC)CC1 ZINC000086848160 179356329 /nfs/dbraw/zinc/35/63/29/179356329.db2.gz CIMMVIQLCWNZDA-QGZVFWFLSA-N 1 3 299.503 2.327 10 0 CEAEHO CCC(CC)[N@@H+](CCOC)[C@]1(CN)CCCN(CC)CC1 ZINC000086848160 179356331 /nfs/dbraw/zinc/35/63/31/179356331.db2.gz CIMMVIQLCWNZDA-QGZVFWFLSA-N 1 3 299.503 2.327 10 0 CEAEHO CCN1CCC[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000086836118 179349903 /nfs/dbraw/zinc/34/99/03/179349903.db2.gz YORHTTPCISKVFP-OAHLLOKOSA-N 1 3 290.407 2.422 10 0 CEAEHO CC(C)N1CCC[C@@H]([NH2+]C2CCC(O)CC2)CC1 ZINC000086835473 179350593 /nfs/dbraw/zinc/35/05/93/179350593.db2.gz ZXQJGLDXFUGEEQ-WLYUNCDWSA-N 1 3 254.418 2.142 10 0 CEAEHO CC(C)N1CCC[C@H]([NH2+]CCc2cccnc2)CC1 ZINC000086840915 179352703 /nfs/dbraw/zinc/35/27/03/179352703.db2.gz SIHSWGOUTJDDID-INIZCTEOSA-N 1 3 261.413 2.477 10 0 CEAEHO CC(C)[N@@H+]1CCC[C@H](NCCc2cccnc2)CC1 ZINC000086840915 179352706 /nfs/dbraw/zinc/35/27/06/179352706.db2.gz SIHSWGOUTJDDID-INIZCTEOSA-N 1 3 261.413 2.477 10 0 CEAEHO CC(C)[N@H+]1CCC[C@H](NCCc2cccnc2)CC1 ZINC000086840915 179352711 /nfs/dbraw/zinc/35/27/11/179352711.db2.gz SIHSWGOUTJDDID-INIZCTEOSA-N 1 3 261.413 2.477 10 0 CEAEHO CCOC(=O)C[C@@]1([NH+](C)C)CCCN(C(C)C)CC1 ZINC000086868531 179360869 /nfs/dbraw/zinc/36/08/69/179360869.db2.gz YKDOTCLSFJZXCQ-OAHLLOKOSA-N 1 3 270.417 2.134 10 0 CEAEHO CCOC(=O)C[C@@]1(N(C)C)CCC[N@@H+](C(C)C)CC1 ZINC000086868531 179360870 /nfs/dbraw/zinc/36/08/70/179360870.db2.gz YKDOTCLSFJZXCQ-OAHLLOKOSA-N 1 3 270.417 2.134 10 0 CEAEHO CCOC(=O)C[C@@]1(N(C)C)CCC[N@H+](C(C)C)CC1 ZINC000086868531 179360872 /nfs/dbraw/zinc/36/08/72/179360872.db2.gz YKDOTCLSFJZXCQ-OAHLLOKOSA-N 1 3 270.417 2.134 10 0 CEAEHO C[C@@H]1CCC[C@@](CN)([N@@H+]2CC[C@H](N3CCCC3)C2)CC1 ZINC000086891390 179366584 /nfs/dbraw/zinc/36/65/84/179366584.db2.gz BYFAPIZCQPXVRE-IXDOHACOSA-N 1 3 279.472 2.454 10 0 CEAEHO C[C@@H]1CCC[C@@](CN)([N@H+]2CC[C@H](N3CCCC3)C2)CC1 ZINC000086891390 179366587 /nfs/dbraw/zinc/36/65/87/179366587.db2.gz BYFAPIZCQPXVRE-IXDOHACOSA-N 1 3 279.472 2.454 10 0 CEAEHO CCN1CCC[C@H]([C@@H](C)[NH2+]CC2(O)CCCCC2)C1 ZINC000087017532 179380799 /nfs/dbraw/zinc/38/07/99/179380799.db2.gz QRAFBLMWXYGNJD-CABCVRRESA-N 1 3 268.445 2.392 10 0 CEAEHO CCCN[C@H]1COC[C@H]1C[N@@H+]1CCCC(C)(C)C1 ZINC000090567046 180006298 /nfs/dbraw/zinc/00/62/98/180006298.db2.gz AINFCZSAOGMXAJ-KGLIPLIRSA-N 1 3 254.418 2.123 10 0 CEAEHO CCCN[C@H]1COC[C@H]1C[N@H+]1CCCC(C)(C)C1 ZINC000090567046 180006299 /nfs/dbraw/zinc/00/62/99/180006299.db2.gz AINFCZSAOGMXAJ-KGLIPLIRSA-N 1 3 254.418 2.123 10 0 CEAEHO CCC[NH2+][C@H]1COC[C@H]1CN1CCCC(C)(C)C1 ZINC000090567046 180006301 /nfs/dbraw/zinc/00/63/01/180006301.db2.gz AINFCZSAOGMXAJ-KGLIPLIRSA-N 1 3 254.418 2.123 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[N@H+](C)CC1CCCC1 ZINC000090566972 180006600 /nfs/dbraw/zinc/00/66/00/180006600.db2.gz RLHKTGRDCJXBLK-HUUCEWRRSA-N 1 3 254.418 2.123 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC000090566972 180006601 /nfs/dbraw/zinc/00/66/01/180006601.db2.gz RLHKTGRDCJXBLK-HUUCEWRRSA-N 1 3 254.418 2.123 10 0 CEAEHO CCN1CC[C@H](C[NH2+]C[C@@H]2Cc3cc(C)ccc3O2)C1 ZINC000090897438 180057060 /nfs/dbraw/zinc/05/70/60/180057060.db2.gz SGJYMRIFSRFEMH-ZBFHGGJFSA-N 1 3 274.408 2.230 10 0 CEAEHO CC[N@@H+]1CC[C@H](CNC[C@@H]2Cc3cc(C)ccc3O2)C1 ZINC000090897438 180057062 /nfs/dbraw/zinc/05/70/62/180057062.db2.gz SGJYMRIFSRFEMH-ZBFHGGJFSA-N 1 3 274.408 2.230 10 0 CEAEHO CC[N@H+]1CC[C@H](CNC[C@@H]2Cc3cc(C)ccc3O2)C1 ZINC000090897438 180057064 /nfs/dbraw/zinc/05/70/64/180057064.db2.gz SGJYMRIFSRFEMH-ZBFHGGJFSA-N 1 3 274.408 2.230 10 0 CEAEHO CN(C)CCn1ncc(C[NH2+]C(C)(C)C)c1C(F)F ZINC000091338540 180136627 /nfs/dbraw/zinc/13/66/27/180136627.db2.gz AAMYCVNROIKZGJ-UHFFFAOYSA-N 1 3 274.359 2.270 10 0 CEAEHO CC(C)n1cncc1CN1CCC[C@@H](CC[NH3+])C1 ZINC000091273044 180117613 /nfs/dbraw/zinc/11/76/13/180117613.db2.gz FCMNDUCCUDFRHU-ZDUSSCGKSA-N 1 3 250.390 2.025 10 0 CEAEHO c1ncn(C2CC2)c1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000091277044 180119902 /nfs/dbraw/zinc/11/99/02/180119902.db2.gz WIWCDUQAYHXGGF-MRXNPFEDSA-N 1 3 274.412 2.182 10 0 CEAEHO C[NH2+][C@H]1CCC(C)(C)C[C@H]1CN(C)CC1CC(O)C1 ZINC000091490574 180169996 /nfs/dbraw/zinc/16/99/96/180169996.db2.gz KTDKLRVGNSNMMB-SHWKFHJASA-N 1 3 268.445 2.103 10 0 CEAEHO CC[NH2+][C@@H](CCN(C)CC1CC(O)C1)C(C)(C)C ZINC000091499036 180174179 /nfs/dbraw/zinc/17/41/79/180174179.db2.gz DLZVCQAXIPOVAN-RUXDESIVSA-N 1 3 256.434 2.103 10 0 CEAEHO CCOc1ccccc1[C@H](N)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091395767 180146159 /nfs/dbraw/zinc/14/61/59/180146159.db2.gz UBFTYXIPPARBMQ-GOEBONIOSA-N 1 3 291.439 2.111 10 0 CEAEHO CC[C@](C)([C@H](Cc1ccccn1)NC)[NH+]1CCCC1 ZINC000091606062 180204488 /nfs/dbraw/zinc/20/44/88/180204488.db2.gz LXNADALMEJNUMT-JKSUJKDBSA-N 1 3 261.413 2.477 10 0 CEAEHO Cc1cc(C[C@@H]([NH3+])C2(N3CCCC3)CCCC2)n(C)n1 ZINC000091640679 180212977 /nfs/dbraw/zinc/21/29/77/180212977.db2.gz JKUMLWQGPCTWLD-OAHLLOKOSA-N 1 3 276.428 2.007 10 0 CEAEHO C[C@@H](C(=O)Nc1ccccc1)N(C)C1CCC([NH3+])CC1 ZINC000091847941 180270795 /nfs/dbraw/zinc/27/07/95/180270795.db2.gz JFDNHORTZOVSRG-OPFPJEHXSA-N 1 3 275.396 2.215 10 0 CEAEHO CCC(C)(C)NC(=O)[C@H](C)N(C)C1CCC([NH2+]C)CC1 ZINC000091870685 180277343 /nfs/dbraw/zinc/27/73/43/180277343.db2.gz FEGSERYYOIPNBV-HSBZDZAISA-N 1 3 283.460 2.142 10 0 CEAEHO CCC[NH2+]C1CCC(N(C)[C@H](C)C(=O)NC(C)C)CC1 ZINC000091870214 180277377 /nfs/dbraw/zinc/27/73/77/180277377.db2.gz CRBSCFRLNMZBGI-WLYUNCDWSA-N 1 3 283.460 2.142 10 0 CEAEHO Cc1ccc(OCC[NH+](C)C)c(CNCC(C)C)n1 ZINC000091996299 180302461 /nfs/dbraw/zinc/30/24/61/180302461.db2.gz YLJXETKNMMFYBC-UHFFFAOYSA-N 1 3 265.401 2.076 10 0 CEAEHO CC(C)[C@H](CC[NH3+])CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000092003828 180304216 /nfs/dbraw/zinc/30/42/16/180304216.db2.gz NNRRHFSJVDCBPE-XHSDSOJGSA-N 1 3 295.471 2.083 10 0 CEAEHO CC(C)[C@@H](CC[NH3+])CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000092003832 180304549 /nfs/dbraw/zinc/30/45/49/180304549.db2.gz NNRRHFSJVDCBPE-OAGGEKHMSA-N 1 3 295.471 2.083 10 0 CEAEHO CCNc1cccc(C[N@H+](C)C2CCN(CC)CC2)n1 ZINC000092369348 180370274 /nfs/dbraw/zinc/37/02/74/180370274.db2.gz VUJJYKCLPVZWFJ-UHFFFAOYSA-N 1 3 276.428 2.430 10 0 CEAEHO CCNc1cccc(C[N@@H+](C)C2CCN(CC)CC2)n1 ZINC000092369348 180370276 /nfs/dbraw/zinc/37/02/76/180370276.db2.gz VUJJYKCLPVZWFJ-UHFFFAOYSA-N 1 3 276.428 2.430 10 0 CEAEHO Cc1nc(N2CC[C@H](N(C)C)C2)sc1C[NH2+]CC(C)C ZINC000110275330 186289509 /nfs/dbraw/zinc/28/95/09/186289509.db2.gz CQXQESZWRIPIDN-ZDUSSCGKSA-N 1 3 296.484 2.337 10 0 CEAEHO CCN(CC)[C@@H]1CCN(C(=[NH2+])NC2CCCCC2)C1 ZINC000110368894 186294924 /nfs/dbraw/zinc/29/49/24/186294924.db2.gz BMSHQOMHTIUHKR-CQSZACIVSA-N 1 3 266.433 2.260 10 0 CEAEHO Cc1ccc([C@H](C[NH3+])N(C)[C@@H]2CCCN(C)C2)cc1F ZINC000110977837 186338844 /nfs/dbraw/zinc/33/88/44/186338844.db2.gz VSLPBRCLWLATHH-ZBFHGGJFSA-N 1 3 279.403 2.160 10 0 CEAEHO COc1ccc([C@@H]([NH3+])[C@@H](C)N2CCN(C)C(C)(C)C2)cc1 ZINC000110716419 186315521 /nfs/dbraw/zinc/31/55/21/186315521.db2.gz PYIZHRHZGNQCAF-CJNGLKHVSA-N 1 3 291.439 2.110 10 0 CEAEHO CCC[NH2+][C@@H](CC)[C@@H](C)N1CCN(C)C(C)(C)C1 ZINC000110717312 186316052 /nfs/dbraw/zinc/31/60/52/186316052.db2.gz LOPSNTGOPZMZNJ-KGLIPLIRSA-N 1 3 255.450 2.179 10 0 CEAEHO CN1CC[N@@H+](C2(CN)CCCCCCC2)CC1(C)C ZINC000110711995 186316183 /nfs/dbraw/zinc/31/61/83/186316183.db2.gz WPCBIDMRHNOWNI-UHFFFAOYSA-N 1 3 267.461 2.454 10 0 CEAEHO CN1CC[N@H+](C2(CN)CCCCCCC2)CC1(C)C ZINC000110711995 186316184 /nfs/dbraw/zinc/31/61/84/186316184.db2.gz WPCBIDMRHNOWNI-UHFFFAOYSA-N 1 3 267.461 2.454 10 0 CEAEHO CN1CCN(C2(C[NH3+])CCCCCCC2)CC1(C)C ZINC000110711995 186316186 /nfs/dbraw/zinc/31/61/86/186316186.db2.gz WPCBIDMRHNOWNI-UHFFFAOYSA-N 1 3 267.461 2.454 10 0 CEAEHO CN1CCN(Cc2ccccc2C[NH2+]C2CC2)CC1(C)C ZINC000110755469 186320678 /nfs/dbraw/zinc/32/06/78/186320678.db2.gz KUVQDISUFSWSID-UHFFFAOYSA-N 1 3 287.451 2.465 10 0 CEAEHO CC[C@@H](C[NH2+]C(C)(C)C)N1CCN(C)[C@@H](CC)C1 ZINC000110754290 186321099 /nfs/dbraw/zinc/32/10/99/186321099.db2.gz XGXMXFSAVFPION-KBPBESRZSA-N 1 3 255.450 2.179 10 0 CEAEHO CC[NH2+]C[C@](C)(CC)CN1CCN(C)C(C)(C)C1 ZINC000110747256 186321527 /nfs/dbraw/zinc/32/15/27/186321527.db2.gz RCXRUXKZKSKPID-HNNXBMFYSA-N 1 3 255.450 2.038 10 0 CEAEHO CC[C@@H]1CN([C@@H](C)C[NH2+]C2CCCCC2)CCN1C ZINC000110757034 186321615 /nfs/dbraw/zinc/32/16/15/186321615.db2.gz PEGPSTCALHIYCP-GOEBONIOSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[NH2+][C@H](C)c1cccc(NC(=O)N(C)CCN(C)C)c1 ZINC000111149643 186360364 /nfs/dbraw/zinc/36/03/64/186360364.db2.gz BYRNMTYTWDQRIM-CYBMUJFWSA-N 1 3 292.427 2.382 10 0 CEAEHO Cc1ccc(C)c([C@@H](N)CN(C)CCC[NH+](C)C)c1 ZINC000111136254 186357216 /nfs/dbraw/zinc/35/72/16/186357216.db2.gz WUZDZLYQTHZUDO-INIZCTEOSA-N 1 3 263.429 2.187 10 0 CEAEHO CCC[NH2+][C@@H](CN(C)CCN(C)C)c1ccccc1OC ZINC000111134518 186357220 /nfs/dbraw/zinc/35/72/20/186357220.db2.gz HZHNJBMFZRQPQP-INIZCTEOSA-N 1 3 293.455 2.229 10 0 CEAEHO C[NH2+][C@@H](CN(C)CCN(C)C)c1ccc(C)c(C)c1 ZINC000111134412 186357305 /nfs/dbraw/zinc/35/73/05/186357305.db2.gz OCVSMAWVXDPVCC-INIZCTEOSA-N 1 3 263.429 2.057 10 0 CEAEHO Cc1ccc([C@H](N)CN(C)CCC[NH+](C)C)c(C)c1 ZINC000111136270 186357726 /nfs/dbraw/zinc/35/77/26/186357726.db2.gz SXTGIYSHYXUFED-MRXNPFEDSA-N 1 3 263.429 2.187 10 0 CEAEHO CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1N(C)CCN(C)C ZINC000111135164 186357998 /nfs/dbraw/zinc/35/79/98/186357998.db2.gz RHFLEELXYFENHQ-PMPSAXMXSA-N 1 3 269.477 2.427 10 0 CEAEHO CCC[NH2+][C@@H](CN(C)CCN(C)C)c1cccc(OC)c1 ZINC000111134807 186358059 /nfs/dbraw/zinc/35/80/59/186358059.db2.gz UHGUSNOSZHAZGV-KRWDZBQOSA-N 1 3 293.455 2.229 10 0 CEAEHO CC[NH2+][C@@H](CCN(C)CCN(C)C)c1ccc(F)cc1 ZINC000111147284 186358575 /nfs/dbraw/zinc/35/85/75/186358575.db2.gz MUURZZPCXBHGLW-INIZCTEOSA-N 1 3 281.419 2.360 10 0 CEAEHO C[NH2+][C@@H]1CCCC[C@@H]1CN(C)C[C@@H]1CCCOC1 ZINC000111171865 186365170 /nfs/dbraw/zinc/36/51/70/186365170.db2.gz IHVGWLXUHXQWEY-RRFJBIMHSA-N 1 3 254.418 2.123 10 0 CEAEHO C[C@H]([NH2+]CCCN(C)c1ccccc1)[C@@H]1CCCNC1 ZINC000570077248 299236350 /nfs/dbraw/zinc/23/63/50/299236350.db2.gz RLBPNHWTMNVZOC-JKSUJKDBSA-N 1 3 275.440 2.491 10 0 CEAEHO C[C@H]1C[C@H]([NH2+]CCOCCN(C)C)CC(C)(C)C1 ZINC000226744933 291146311 /nfs/dbraw/zinc/14/63/11/291146311.db2.gz VAWCJRWVFROVEY-KBPBESRZSA-N 1 3 256.434 2.369 10 0 CEAEHO C[C@H](NCCc1cc(F)cc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000570918457 299285712 /nfs/dbraw/zinc/28/57/12/299285712.db2.gz LVXKSLDHMQMZJQ-WCQYABFASA-N 1 3 268.351 2.485 10 0 CEAEHO C[C@H]([NH2+]CCc1cc(F)cc(F)c1)[C@@H]1CCCNC1 ZINC000570918457 299285714 /nfs/dbraw/zinc/28/57/14/299285714.db2.gz LVXKSLDHMQMZJQ-WCQYABFASA-N 1 3 268.351 2.485 10 0 CEAEHO COc1ccc([C@@H](N)c2cccn2CC[NH+](C)C)cc1 ZINC000011848779 361366493 /nfs/dbraw/zinc/36/64/93/361366493.db2.gz FKBLSZVSAWEHJG-MRXNPFEDSA-N 1 3 273.380 2.106 10 0 CEAEHO CN(C)CCOc1cccc(NC2CCC([NH3+])CC2)c1 ZINC000094079795 364251091 /nfs/dbraw/zinc/25/10/91/364251091.db2.gz OJTLCJYRKQAONN-UHFFFAOYSA-N 1 3 277.412 2.309 10 0 CEAEHO C[C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@@H]1CN ZINC000631838851 367579241 /nfs/dbraw/zinc/57/92/41/367579241.db2.gz WDJCWRDVLLRQJD-ZBFHGGJFSA-N 1 3 262.397 2.120 10 0 CEAEHO C[C@@H]1C[N@@H+](CCCOCc2ccccc2)C[C@@H]1CN ZINC000631838851 367579243 /nfs/dbraw/zinc/57/92/43/367579243.db2.gz WDJCWRDVLLRQJD-ZBFHGGJFSA-N 1 3 262.397 2.120 10 0 CEAEHO CC(C)O[C@@H]1C[C@@H](NC[C@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000185204539 368767092 /nfs/dbraw/zinc/76/70/92/368767092.db2.gz KJZAXTYXQYOLTI-ARFHVFGLSA-N 1 3 298.471 2.015 10 0 CEAEHO CN(Cc1ccc(-n2ccnc2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000231460715 370480832 /nfs/dbraw/zinc/48/08/32/370480832.db2.gz KPPSZDOOOFDIBI-MRXNPFEDSA-N 1 3 284.407 2.446 10 0 CEAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](N)CC1CCCCC1 ZINC000261813016 371740094 /nfs/dbraw/zinc/74/00/94/371740094.db2.gz ZWPBYVSNTKWFAS-JKSUJKDBSA-N 1 3 295.471 2.227 10 0 CEAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H](N)CC1CCCCC1 ZINC000261813016 371740103 /nfs/dbraw/zinc/74/01/03/371740103.db2.gz ZWPBYVSNTKWFAS-JKSUJKDBSA-N 1 3 295.471 2.227 10 0 CEAEHO CCC1(CN2CCC[C@@]3(CC[NH2+]C3)C2)CCOCC1 ZINC000334256158 206264955 /nfs/dbraw/zinc/26/49/55/206264955.db2.gz MCDDRFLLSQQCPT-INIZCTEOSA-N 1 3 266.429 2.269 10 0 CEAEHO Cc1cc(N[C@@H](CC[NH3+])C(F)F)c2ccccc2n1 ZINC000383525748 375204095 /nfs/dbraw/zinc/20/40/95/375204095.db2.gz XDZKSQUQNHBMLU-LBPRGKRZSA-N 1 3 265.307 2.360 10 0 CEAEHO c1ccc(COC2CC([NH2+]C3CCNCC3)C2)cc1 ZINC000563616008 377263442 /nfs/dbraw/zinc/26/34/42/377263442.db2.gz CKRFZXGUYZYUAU-UHFFFAOYSA-N 1 3 260.381 2.076 10 0 CEAEHO c1ccc(COC2CC(NC3CC[NH2+]CC3)C2)cc1 ZINC000563616008 377263449 /nfs/dbraw/zinc/26/34/49/377263449.db2.gz CKRFZXGUYZYUAU-UHFFFAOYSA-N 1 3 260.381 2.076 10 0 CEAEHO CCC[NH2+][C@@H]1[C@H](N(C)CCN(C)C)CCC1(C)C ZINC000094306236 184778861 /nfs/dbraw/zinc/77/88/61/184778861.db2.gz QADPTRXYNYXXBX-ZIAGYGMSSA-N 1 3 255.450 2.037 10 0 CEAEHO [NH3+][C@@H]1CCC[C@@H](CN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000070578386 134952787 /nfs/dbraw/zinc/95/27/87/134952787.db2.gz DDDPLLXQQIECGB-GDBMZVCRSA-N 1 3 291.414 2.465 10 0 CEAEHO [NH3+]Cc1cc(Cl)ccc1N1CCN2CCCC[C@@H]2C1 ZINC000094438305 135087835 /nfs/dbraw/zinc/08/78/35/135087835.db2.gz DYLNGMKJLKVJDX-CQSZACIVSA-N 1 3 279.815 2.473 10 0 CEAEHO FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCNC2)C1 ZINC000422858263 394833965 /nfs/dbraw/zinc/83/39/65/394833965.db2.gz ZNOIOJKFBQDDAT-HBNTYKKESA-N 1 3 250.308 2.307 10 0 CEAEHO CCC[C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)N(C)C ZINC000162312519 395073387 /nfs/dbraw/zinc/07/33/87/395073387.db2.gz BSBJZSGRWDWATN-HZPDHXFCSA-N 1 3 295.471 2.051 10 0 CEAEHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H](C)c2ccccn2)CC1 ZINC000177133427 395146221 /nfs/dbraw/zinc/14/62/21/395146221.db2.gz LNVQPTFSTBCBFP-GJZGRUSLSA-N 1 3 291.439 2.167 10 0 CEAEHO c1cc(N2CCC([NH2+]CC[C@@H]3CCCO3)CC2)ccn1 ZINC000038096043 400122931 /nfs/dbraw/zinc/12/29/31/400122931.db2.gz IHZAKXZKRNNBBJ-INIZCTEOSA-N 1 3 275.396 2.209 10 0 CEAEHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000263206519 154033965 /nfs/dbraw/zinc/03/39/65/154033965.db2.gz JTRDUXJBYOTWIA-DTZQCDIJSA-N 1 3 294.826 2.146 10 0 CEAEHO NC[C@H](c1ccco1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000020225286 171087757 /nfs/dbraw/zinc/08/77/57/171087757.db2.gz LTKJAIYUCVJFBS-OAHLLOKOSA-N 1 3 277.412 2.087 10 0 CEAEHO C[NH2+]C[C@@H]1CCCN([C@@H]2CCc3ccccc3C2)C1 ZINC000040593368 174347461 /nfs/dbraw/zinc/34/74/61/174347461.db2.gz DEYUVOUQGMRMBN-WMLDXEAASA-N 1 3 258.409 2.475 10 0 CEAEHO FC(F)(F)CO[C@@H]1CCC[C@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000043326959 175008642 /nfs/dbraw/zinc/00/86/42/175008642.db2.gz PDPFFFYNZBEROV-QJPTWQEYSA-N 1 3 280.334 2.218 10 0 CEAEHO Cc1ccc([C@H]([C@H](C)[NH3+])N(C)C2CCN(C)CC2)o1 ZINC000043363795 175024106 /nfs/dbraw/zinc/02/41/06/175024106.db2.gz JPGMKMXMVKODCQ-WFASDCNBSA-N 1 3 265.401 2.002 10 0 CEAEHO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N1CCCN(C)CC1 ZINC000043363935 175025097 /nfs/dbraw/zinc/02/50/97/175025097.db2.gz FKODOIFEQZKTHS-UKRRQHHQSA-N 1 3 265.401 2.004 10 0 CEAEHO Cc1ccc([C@@H]([C@@H](C)[NH3+])N(CCN(C)C)CC(C)C)o1 ZINC000043365378 175026195 /nfs/dbraw/zinc/02/61/95/175026195.db2.gz VWVGTHFOXQAVSX-GDBMZVCRSA-N 1 3 281.444 2.496 10 0 CEAEHO CCC[NH2+][C@H](CC)[C@@H](C)N(C)C1CCN(C)CC1 ZINC000043815442 175112543 /nfs/dbraw/zinc/11/25/43/175112543.db2.gz IJFBJYOIKLNREI-UKRRQHHQSA-N 1 3 255.450 2.179 10 0 CEAEHO C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)N1CCCN(C)CC1 ZINC000043818168 175112856 /nfs/dbraw/zinc/11/28/56/175112856.db2.gz ZUNHYLLFXFACMM-RDJZCZTQSA-N 1 3 275.440 2.282 10 0 CEAEHO CCC[C@H]([NH2+]C)[C@H](CC)N1CCN(CC2CC2)CC1 ZINC000043967875 175129023 /nfs/dbraw/zinc/12/90/23/175129023.db2.gz NKSJHSPWDJMHGB-HOTGVXAUSA-N 1 3 267.461 2.181 10 0 CEAEHO C[NH2+][C@H](C)c1cccc(NC(=O)NC[C@H](C)N(C)C)c1 ZINC000045113981 175311257 /nfs/dbraw/zinc/31/12/57/175311257.db2.gz VMBXJTDAXSXPQT-NWDGAFQWSA-N 1 3 278.400 2.039 10 0 CEAEHO CC[C@H]1CCC[C@](CN)([N@H+](C)[C@@H]2CCCN(C)C2)C1 ZINC000071124581 176034856 /nfs/dbraw/zinc/03/48/56/176034856.db2.gz QIHSMIDZQGRVHL-XHSDSOJGSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@H]1CCC[C@](CN)([N@@H+](C)[C@@H]2CCCN(C)C2)C1 ZINC000071124581 176034857 /nfs/dbraw/zinc/03/48/57/176034857.db2.gz QIHSMIDZQGRVHL-XHSDSOJGSA-N 1 3 267.461 2.310 10 0 CEAEHO CN[C@@H](C)c1c(F)cccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189410 176064863 /nfs/dbraw/zinc/06/48/63/176064863.db2.gz ASKQZJFWKYOIFH-QWHCGFSZSA-N 1 3 279.403 2.494 10 0 CEAEHO CN[C@@H](C)c1c(F)cccc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189410 176064865 /nfs/dbraw/zinc/06/48/65/176064865.db2.gz ASKQZJFWKYOIFH-QWHCGFSZSA-N 1 3 279.403 2.494 10 0 CEAEHO CCCNCc1coc(CN(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071191826 176072610 /nfs/dbraw/zinc/07/26/10/176072610.db2.gz XMIZGZACXJZMHT-CQSZACIVSA-N 1 3 279.428 2.163 10 0 CEAEHO CCCNCc1coc(CN(C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000071191826 176072611 /nfs/dbraw/zinc/07/26/11/176072611.db2.gz XMIZGZACXJZMHT-CQSZACIVSA-N 1 3 279.428 2.163 10 0 CEAEHO C[NH2+][C@H]1CCCc2nc(N(C)C[C@@H]3CCN(C)C3)sc21 ZINC000071192517 176074829 /nfs/dbraw/zinc/07/48/29/176074829.db2.gz YUBPFWMSXGSOIH-NEPJUHHUSA-N 1 3 294.468 2.128 10 0 CEAEHO CC[C@H]1C[N@H+](CCn2ccnc2C)[C@@](C)(C2CC2)CN1 ZINC000071345624 176131915 /nfs/dbraw/zinc/13/19/15/176131915.db2.gz DUKNPDOFRNBWKH-JKSUJKDBSA-N 1 3 276.428 2.044 10 0 CEAEHO CC[C@H]1C[N@@H+](CCn2ccnc2C)[C@@](C)(C2CC2)CN1 ZINC000071345624 176131916 /nfs/dbraw/zinc/13/19/16/176131916.db2.gz DUKNPDOFRNBWKH-JKSUJKDBSA-N 1 3 276.428 2.044 10 0 CEAEHO Cc1nccn1CC[N@@H+]1C[C@@H](C(C)(C)C)NCC1(C)C ZINC000071348438 176133161 /nfs/dbraw/zinc/13/31/61/176133161.db2.gz REXOELVGWICNHH-AWEZNQCLSA-N 1 3 278.444 2.290 10 0 CEAEHO Cc1nccn1CC[N@H+]1C[C@@H](C(C)(C)C)NCC1(C)C ZINC000071348438 176133162 /nfs/dbraw/zinc/13/31/62/176133162.db2.gz REXOELVGWICNHH-AWEZNQCLSA-N 1 3 278.444 2.290 10 0 CEAEHO CC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1CN(C)CCN(C)C ZINC000079673156 177534274 /nfs/dbraw/zinc/53/42/74/177534274.db2.gz QQPBKPSDCQKEAL-HUUCEWRRSA-N 1 3 269.477 2.284 10 0 CEAEHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH2+]C1 ZINC000390555423 262216389 /nfs/dbraw/zinc/21/63/89/262216389.db2.gz LFUUICPNYHESCS-SJORKVTESA-N 1 3 287.451 2.239 10 0 CEAEHO OCC[C@@H]([NH2+][C@@H]1CCCNCC1)C1CCCCC1 ZINC000423007353 270818212 /nfs/dbraw/zinc/81/82/12/270818212.db2.gz QKOYJDDGNVPYMV-HUUCEWRRSA-N 1 3 254.418 2.049 10 0 CEAEHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000089144486 290043323 /nfs/dbraw/zinc/04/33/23/290043323.db2.gz LPNNKQUCAIDMIL-UHTWSYAYSA-N 1 3 288.395 2.024 10 0 CEAEHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCCC[C@@H]1CO ZINC000231296176 298877171 /nfs/dbraw/zinc/87/71/71/298877171.db2.gz NBGFGIVRPXWZMQ-LVQVYYBASA-N 1 3 268.445 2.438 10 0 CEAEHO CC(C)[NH2+]CC1(CN(C)[C@@H]2CCSC2)CCOCC1 ZINC000052181490 519719539 /nfs/dbraw/zinc/71/95/39/519719539.db2.gz ANQAWVQYFVFCRK-CQSZACIVSA-N 1 3 286.485 2.219 10 0 CEAEHO CCCN1CCN([C@H]2C[C@H](C(C)C)CC[C@@H]2[NH2+]C)CC1 ZINC000054554501 519860339 /nfs/dbraw/zinc/86/03/39/519860339.db2.gz GEFBLLIYWBRGMO-IKGGRYGDSA-N 1 3 281.488 2.427 10 0 CEAEHO CCCNCc1occc1CN1CCC[C@H]1C[NH+](C)C ZINC000061654413 519972428 /nfs/dbraw/zinc/97/24/28/519972428.db2.gz ZHPHAQNPRNXYOG-HNNXBMFYSA-N 1 3 279.428 2.305 10 0 CEAEHO CCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCOCC2)C1 ZINC000069288292 520063305 /nfs/dbraw/zinc/06/33/05/520063305.db2.gz IREFTHCVDMTSSN-ZIAGYGMSSA-N 1 3 254.418 2.266 10 0 CEAEHO CCO[C@H](C[NH3+])CN(Cc1ccccc1)C(C)C ZINC000062739429 520517516 /nfs/dbraw/zinc/51/75/16/520517516.db2.gz ISHANNHCWRVOCU-OAHLLOKOSA-N 1 3 250.386 2.261 10 0 CEAEHO CCO[C@H](CN)C[N@H+](Cc1ccccc1)C(C)C ZINC000062739429 520517529 /nfs/dbraw/zinc/51/75/29/520517529.db2.gz ISHANNHCWRVOCU-OAHLLOKOSA-N 1 3 250.386 2.261 10 0 CEAEHO CCO[C@H](CN)C[N@@H+](Cc1ccccc1)C(C)C ZINC000062739429 520517535 /nfs/dbraw/zinc/51/75/35/520517535.db2.gz ISHANNHCWRVOCU-OAHLLOKOSA-N 1 3 250.386 2.261 10 0 CEAEHO CCN1CCC(N(C)c2ncc([C@@H](C)[NH2+]C)s2)CC1 ZINC000054908113 521568823 /nfs/dbraw/zinc/56/88/23/521568823.db2.gz FHJGAMSZIMCJCQ-LLVKDONJSA-N 1 3 282.457 2.344 10 0 CEAEHO CCC(CC)[NH2+]C[C@@H](C)N1CCC[C@@H]1CN(C)C ZINC000061655143 521596155 /nfs/dbraw/zinc/59/61/55/521596155.db2.gz WKZQZFKQHILZJE-UKRRQHHQSA-N 1 3 255.450 2.179 10 0 CEAEHO CCCN(CCN(C)C)[C@@H](CC[NH3+])c1ccccc1 ZINC000055017544 521657535 /nfs/dbraw/zinc/65/75/35/521657535.db2.gz GLTUREWCTXIVFX-INIZCTEOSA-N 1 3 263.429 2.350 10 0 CEAEHO CCCN(CCOC(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049260919 521668942 /nfs/dbraw/zinc/66/89/42/521668942.db2.gz AAWXCKZYOKEOMG-YIONKMFJSA-N 1 3 254.418 2.406 10 0 CEAEHO CC(C)(C)[NH2+]CC1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000068890159 518755470 /nfs/dbraw/zinc/75/54/70/518755470.db2.gz AUGDHMCPXVTOAP-NSHDSACASA-N 1 3 282.350 2.010 10 0 CEAEHO CC(C)CN(CCN(C)C)[C@H](C)CC[NH2+]C(C)C ZINC000052503422 519716754 /nfs/dbraw/zinc/71/67/54/519716754.db2.gz KMFASMYMSIIKRD-OAHLLOKOSA-N 1 3 257.466 2.283 10 0 CEAEHO CC(C)CN1CCN(CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000055083733 519725619 /nfs/dbraw/zinc/72/56/19/519725619.db2.gz OWGMMFXXHYNNGQ-INIZCTEOSA-N 1 3 267.461 2.182 10 0 CEAEHO CC(C)CN1CCN(CC[C@@H]([NH3+])c2ccc(F)cc2)CC1 ZINC000055082212 519726147 /nfs/dbraw/zinc/72/61/47/519726147.db2.gz VMSIOXSERNDYNR-QGZVFWFLSA-N 1 3 293.430 2.489 10 0 CEAEHO CC(C)CN1CCN([C@@H]2C[C@H](C)CC[C@@H]2C[NH3+])CC1 ZINC000055077571 519727829 /nfs/dbraw/zinc/72/78/29/519727829.db2.gz ORTFNNJAIXAZOM-BZUAXINKSA-N 1 3 267.461 2.024 10 0 CEAEHO CC(C)C[NH2+]CC1(CN(C)C(C)C)CCOCC1 ZINC000052180885 519742912 /nfs/dbraw/zinc/74/29/12/519742912.db2.gz IZOBUZLBPCZSSU-UHFFFAOYSA-N 1 3 256.434 2.369 10 0 CEAEHO CC(C)C[NH2+]CCCCN1CCN(C(C)(C)C)CC1 ZINC000052571567 519743127 /nfs/dbraw/zinc/74/31/27/519743127.db2.gz GDGDINDFGGYVQP-UHFFFAOYSA-N 1 3 269.477 2.428 10 0 CEAEHO CCCN1CCN([C@@H](C[NH2+]C(C)(C)C)C(C)C)CC1 ZINC000052421703 519859625 /nfs/dbraw/zinc/85/96/25/519859625.db2.gz ZPVMCKZQQAKNTJ-HNNXBMFYSA-N 1 3 269.477 2.427 10 0 CEAEHO CCC[NH2+]CCC[C@H](C)N1CCN(CCC)CC1 ZINC000052421968 519913473 /nfs/dbraw/zinc/91/34/73/519913473.db2.gz VNNJOHTXLMLAIU-HNNXBMFYSA-N 1 3 255.450 2.182 10 0 CEAEHO CC[NH2+]CCCCCN1CCN(CC(C)C)CC1 ZINC000055082951 519919169 /nfs/dbraw/zinc/91/91/69/519919169.db2.gz ZMNXRQVFXHNWII-UHFFFAOYSA-N 1 3 255.450 2.040 10 0 CEAEHO CC[NH2+]CCC[C@@H](C)N1CCN(CC(C)C)CC1 ZINC000055082914 519920392 /nfs/dbraw/zinc/92/03/92/519920392.db2.gz OQOJYQGGSIAUDJ-OAHLLOKOSA-N 1 3 255.450 2.038 10 0 CEAEHO CCC[NH2+]C[C@H](CC)N1CCN([C@H](C)CC)CC1 ZINC000055074603 519931838 /nfs/dbraw/zinc/93/18/38/519931838.db2.gz BMVLWHBCWUFUKJ-CABCVRRESA-N 1 3 255.450 2.181 10 0 CEAEHO CC[NH2+]C[C@@H](c1ccccc1)N1CCC[C@@H]1CN(C)C ZINC000061654577 519949730 /nfs/dbraw/zinc/94/97/30/519949730.db2.gz ZRELTBWPVRETDE-SJORKVTESA-N 1 3 275.440 2.363 10 0 CEAEHO CCC[NH2+]Cc1cccnc1N1CCN(CC(C)C)CC1 ZINC000055082454 519956810 /nfs/dbraw/zinc/95/68/10/519956810.db2.gz GFZRNQOBUQFZFZ-UHFFFAOYSA-N 1 3 290.455 2.359 10 0 CEAEHO CCC[NH2+]Cc1cnc(N2CC[C@H](N3CCCC3)C2)s1 ZINC000062975169 519966319 /nfs/dbraw/zinc/96/63/19/519966319.db2.gz OWDGUZMCSKKRHT-ZDUSSCGKSA-N 1 3 294.468 2.317 10 0 CEAEHO CC[N@H+](CC1CC1)C[C@]1(CNC2CC2)CCCOC1 ZINC000069262807 520957213 /nfs/dbraw/zinc/95/72/13/520957213.db2.gz AGAZXZNKXSSWAL-MRXNPFEDSA-N 1 3 266.429 2.267 10 0 CEAEHO CC[N@@H+](CC1CC1)C[C@]1(CNC2CC2)CCCOC1 ZINC000069262807 520957222 /nfs/dbraw/zinc/95/72/22/520957222.db2.gz AGAZXZNKXSSWAL-MRXNPFEDSA-N 1 3 266.429 2.267 10 0 CEAEHO CCN(CC1CC1)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000069262807 520957230 /nfs/dbraw/zinc/95/72/30/520957230.db2.gz AGAZXZNKXSSWAL-MRXNPFEDSA-N 1 3 266.429 2.267 10 0 CEAEHO CCOc1ccc([C@@H](N)CN2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061643561 521228083 /nfs/dbraw/zinc/22/80/83/521228083.db2.gz AWICBMNVRJXHDD-WBVHZDCISA-N 1 3 291.439 2.111 10 0 CEAEHO CCC(C)(C)[NH2+]C[C@H](C)N1CCN(CC(C)C)CC1 ZINC000055075897 521352439 /nfs/dbraw/zinc/35/24/39/521352439.db2.gz NXEUPKGTCNICEB-HNNXBMFYSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[NH+]1CCC(N(C)Cc2cc(C)c(CNC)o2)CC1 ZINC000052544087 521565270 /nfs/dbraw/zinc/56/52/70/521565270.db2.gz SEPXKHSGLAUEAX-UHFFFAOYSA-N 1 3 279.428 2.224 10 0 CEAEHO CCC(CC)[C@H](C[NH3+])N1CCN([C@@H](C)CC)CC1 ZINC000055064556 521615941 /nfs/dbraw/zinc/61/59/41/521615941.db2.gz GSMYPNUJMMXGGU-ZFWWWQNUSA-N 1 3 255.450 2.166 10 0 CEAEHO CCN1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)CCN(C)C)C1 ZINC000049553827 521626900 /nfs/dbraw/zinc/62/69/00/521626900.db2.gz XEOFHIGVKUYJAD-RRFJBIMHSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000055063922 522128534 /nfs/dbraw/zinc/12/85/34/522128534.db2.gz AAMOBEWGGMIZCM-PBHICJAKSA-N 1 3 291.439 2.111 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C[NH3+])c2ccc(F)c(F)c2)CC1 ZINC000055064824 522132276 /nfs/dbraw/zinc/13/22/76/522132276.db2.gz RYRTUFCUCVWKBG-MLGOLLRUSA-N 1 3 297.393 2.381 10 0 CEAEHO CN[C@@H]1COc2cc(OCCC[NH+]3CCCC3)ccc21 ZINC000062804003 522398201 /nfs/dbraw/zinc/39/82/01/522398201.db2.gz IBQIZACTTHOJAS-OAHLLOKOSA-N 1 3 276.380 2.204 10 0 CEAEHO COCC[N@H+](CC(C)C)CC1(CNC2CC2)CCOCC1 ZINC000052182455 523678605 /nfs/dbraw/zinc/67/86/05/523678605.db2.gz QOIHWFURLQVXIL-UHFFFAOYSA-N 1 3 298.471 2.140 10 0 CEAEHO COCC[N@@H+](CC(C)C)CC1(CNC2CC2)CCOCC1 ZINC000052182455 523678609 /nfs/dbraw/zinc/67/86/09/523678609.db2.gz QOIHWFURLQVXIL-UHFFFAOYSA-N 1 3 298.471 2.140 10 0 CEAEHO COCCN(CC(C)C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052182455 523678616 /nfs/dbraw/zinc/67/86/16/523678616.db2.gz QOIHWFURLQVXIL-UHFFFAOYSA-N 1 3 298.471 2.140 10 0 CEAEHO CN1CCC(C[NH3+])(N2CCC3(CCCCC3)CC2)CC1 ZINC000061818842 523762071 /nfs/dbraw/zinc/76/20/71/523762071.db2.gz ZFYQSMWDWZBUCX-UHFFFAOYSA-N 1 3 279.472 2.456 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C[NH3+])c2cccc(C)c2)CC1 ZINC000055063618 523957751 /nfs/dbraw/zinc/95/77/51/523957751.db2.gz NFOHRFPTDDPPQZ-RDJZCZTQSA-N 1 3 275.440 2.411 10 0 CEAEHO CC[C@H](C)N1CCN([C@@](C)(C[NH3+])CC(C)C)CC1 ZINC000055064763 523957780 /nfs/dbraw/zinc/95/77/80/523957780.db2.gz WFXUYHUJRKCECB-LSDHHAIUSA-N 1 3 255.450 2.166 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000055074111 523959047 /nfs/dbraw/zinc/95/90/47/523959047.db2.gz BBPDBUGQIPAWFJ-UONOGXRCSA-N 1 3 255.450 2.179 10 0 CEAEHO C[C@@H](CCC[NH3+])N1CCN(c2ccc(F)cc2)CC1 ZINC000052418216 524456955 /nfs/dbraw/zinc/45/69/55/524456955.db2.gz MOMBHGZYPARUNO-ZDUSSCGKSA-N 1 3 265.376 2.075 10 0 CEAEHO C[C@@H]([NH3+])[C@H](c1ccccc1F)N(C)CCN1CCCC1 ZINC000063050912 525016072 /nfs/dbraw/zinc/01/60/72/525016072.db2.gz LBZJCJDAKSCNDC-CZUORRHYSA-N 1 3 279.403 2.242 10 0 CEAEHO Cc1ccccc1[C@@H](N)CC[N@H+]1CCC[C@@H]1CN(C)C ZINC000061653557 525366873 /nfs/dbraw/zinc/36/68/73/525366873.db2.gz MSXHVXWBIBRSSZ-WBVHZDCISA-N 1 3 275.440 2.411 10 0 CEAEHO Cc1ccccc1[C@@H](N)CC[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061653557 525366880 /nfs/dbraw/zinc/36/68/80/525366880.db2.gz MSXHVXWBIBRSSZ-WBVHZDCISA-N 1 3 275.440 2.411 10 0 CEAEHO C[C@@H]1[C@@H](C)CCC[C@]1(CN)[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000068629875 525648753 /nfs/dbraw/zinc/64/87/53/525648753.db2.gz BUBKGUNDSUYVMO-VVLHAWIVSA-N 1 3 279.472 2.310 10 0 CEAEHO C[C@@H]1[C@@H](C)CCC[C@]1(CN)[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000068629875 525648761 /nfs/dbraw/zinc/64/87/61/525648761.db2.gz BUBKGUNDSUYVMO-VVLHAWIVSA-N 1 3 279.472 2.310 10 0 CEAEHO C[C@@]1(C(=O)Nc2cccc(CN3CCCC3)c2)CC[NH2+]C1 ZINC000062892472 525810775 /nfs/dbraw/zinc/81/07/75/525810775.db2.gz BSGGESUQMCAKNQ-QGZVFWFLSA-N 1 3 287.407 2.221 10 0 CEAEHO CC(C)C[C@H](C[NH3+])CCN1CCN(c2ccccn2)CC1 ZINC000088290129 535305568 /nfs/dbraw/zinc/30/55/68/535305568.db2.gz VAJCUQQYLZZUOD-MRXNPFEDSA-N 1 3 290.455 2.215 10 0 CEAEHO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1cccc(CN2CCCC2)c1 ZINC000085361667 179033708 /nfs/dbraw/zinc/03/37/08/179033708.db2.gz AEIRCISCYTYWGG-HOTGVXAUSA-N 1 3 287.407 2.348 10 0 CEAEHO CCC[C@@H]1C[N@H+](CCCOCC(F)(F)F)CCCN1 ZINC000085612229 179102444 /nfs/dbraw/zinc/10/24/44/179102444.db2.gz MGRLPYHPYMDQJZ-GFCCVEGCSA-N 1 3 282.350 2.419 10 0 CEAEHO CCC[C@@H]1C[N@@H+](CCCOCC(F)(F)F)CCCN1 ZINC000085612229 179102446 /nfs/dbraw/zinc/10/24/46/179102446.db2.gz MGRLPYHPYMDQJZ-GFCCVEGCSA-N 1 3 282.350 2.419 10 0 CEAEHO CC[C@@H]([NH3+])Cc1ccccc1N1CCN(CC2CC2)CC1 ZINC000111511685 136563117 /nfs/dbraw/zinc/56/31/17/136563117.db2.gz QRNMGWLCWLTZNS-QGZVFWFLSA-N 1 3 287.451 2.498 10 0 CEAEHO c1ccc([C@H]2CNCCN2[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000086177490 179247259 /nfs/dbraw/zinc/24/72/59/179247259.db2.gz SSXISZXOKFTWMI-KZNAEPCWSA-N 1 3 285.435 2.260 10 0 CEAEHO c1ccc([C@H]2CNCCN2[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000086177490 179247261 /nfs/dbraw/zinc/24/72/61/179247261.db2.gz SSXISZXOKFTWMI-KZNAEPCWSA-N 1 3 285.435 2.260 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@H+](C[C@@H]2CCN(C)C2)[C@H](C(C)C)CN1 ZINC000086171852 179243213 /nfs/dbraw/zinc/24/32/13/179243213.db2.gz JQFLXVCVTCLRTR-YVSFHVDLSA-N 1 3 281.488 2.283 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@@H+](C[C@@H]2CCN(C)C2)[C@H](C(C)C)CN1 ZINC000086171852 179243216 /nfs/dbraw/zinc/24/32/16/179243216.db2.gz JQFLXVCVTCLRTR-YVSFHVDLSA-N 1 3 281.488 2.283 10 0 CEAEHO CC(C)[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1[C@@H](C)CCN(C)C ZINC000086227534 179254673 /nfs/dbraw/zinc/25/46/73/179254673.db2.gz GXHDLPUHTOOTLL-XIRDDKMYSA-N 1 3 281.488 2.425 10 0 CEAEHO CC(C)[C@@H]1CN[C@](C)(C2CC2)C[N@H+]1[C@@H](C)CCN(C)C ZINC000086227534 179254675 /nfs/dbraw/zinc/25/46/75/179254675.db2.gz GXHDLPUHTOOTLL-XIRDDKMYSA-N 1 3 281.488 2.425 10 0 CEAEHO C[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259621 179258145 /nfs/dbraw/zinc/25/81/45/179258145.db2.gz SXJTXNUDRFZLEH-ZTFGCOKTSA-N 1 3 291.483 2.466 10 0 CEAEHO CCC[C@@H](COC)[N@@H+]1CCCNC2(CCCC2)C1 ZINC000086299569 179268872 /nfs/dbraw/zinc/26/88/72/179268872.db2.gz JYGSKEDWZPQRFN-AWEZNQCLSA-N 1 3 254.418 2.410 10 0 CEAEHO CCC[C@@H](COC)[N@H+]1CCCNC2(CCCC2)C1 ZINC000086299569 179268874 /nfs/dbraw/zinc/26/88/74/179268874.db2.gz JYGSKEDWZPQRFN-AWEZNQCLSA-N 1 3 254.418 2.410 10 0 CEAEHO CCC[C@@H](COC)N1CCC[NH2+]C2(CCCC2)C1 ZINC000086299569 179268875 /nfs/dbraw/zinc/26/88/75/179268875.db2.gz JYGSKEDWZPQRFN-AWEZNQCLSA-N 1 3 254.418 2.410 10 0 CEAEHO COCC[C@H](C)[N@@H+]1CCCNC2(CCCCC2)C1 ZINC000086300103 179269116 /nfs/dbraw/zinc/26/91/16/179269116.db2.gz LDDZSZCNAWCYDK-AWEZNQCLSA-N 1 3 254.418 2.410 10 0 CEAEHO COCC[C@H](C)[N@H+]1CCCNC2(CCCCC2)C1 ZINC000086300103 179269118 /nfs/dbraw/zinc/26/91/18/179269118.db2.gz LDDZSZCNAWCYDK-AWEZNQCLSA-N 1 3 254.418 2.410 10 0 CEAEHO COCC[C@H](C)N1CCC[NH2+]C2(CCCCC2)C1 ZINC000086300103 179269120 /nfs/dbraw/zinc/26/91/20/179269120.db2.gz LDDZSZCNAWCYDK-AWEZNQCLSA-N 1 3 254.418 2.410 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H](NCc2ccc(Br)cc2)C1 ZINC000086397615 179285312 /nfs/dbraw/zinc/28/53/12/179285312.db2.gz OCYGAOSEJBBAER-VXGBXAGGSA-N 1 3 269.186 2.419 10 0 CEAEHO CN[C@H]1CCCc2sc(N(C)CCC[NH+](C)C)nc21 ZINC000086444205 179293419 /nfs/dbraw/zinc/29/34/19/179293419.db2.gz GFCFONXEZZPTJY-NSHDSACASA-N 1 3 282.457 2.128 10 0 CEAEHO CCCn1c2ccc(C[NH3+])cc2nc1CCN(C)C ZINC000086641339 179314974 /nfs/dbraw/zinc/31/49/74/179314974.db2.gz JBYKHXXYNOBYFV-UHFFFAOYSA-N 1 3 260.385 2.009 10 0 CEAEHO CCOC(=O)N1CCC([NH2+][C@@H]2CCCN(CC)CC2)CC1 ZINC000086835987 179349865 /nfs/dbraw/zinc/34/98/65/179349865.db2.gz VWUSSMCUNBKLDG-CQSZACIVSA-N 1 3 297.443 2.071 10 0 CEAEHO CC[N@@H+]1CCC[C@@H](Nc2cnccc2N(C)C)CC1 ZINC000086837877 179351969 /nfs/dbraw/zinc/35/19/69/179351969.db2.gz MMPPJQPMWHLBTL-CYBMUJFWSA-N 1 3 262.401 2.434 10 0 CEAEHO CC[N@H+]1CCC[C@@H](Nc2cnccc2N(C)C)CC1 ZINC000086837877 179351970 /nfs/dbraw/zinc/35/19/70/179351970.db2.gz MMPPJQPMWHLBTL-CYBMUJFWSA-N 1 3 262.401 2.434 10 0 CEAEHO CC(C)N1CCC[C@H]([NH2+]CCc2ccncc2)CC1 ZINC000086840946 179353817 /nfs/dbraw/zinc/35/38/17/179353817.db2.gz DFJOQBFREANEBY-INIZCTEOSA-N 1 3 261.413 2.477 10 0 CEAEHO CC(C)[N@@H+]1CCC[C@H](NCCc2ccncc2)CC1 ZINC000086840946 179353820 /nfs/dbraw/zinc/35/38/20/179353820.db2.gz DFJOQBFREANEBY-INIZCTEOSA-N 1 3 261.413 2.477 10 0 CEAEHO CC(C)[N@H+]1CCC[C@H](NCCc2ccncc2)CC1 ZINC000086840946 179353822 /nfs/dbraw/zinc/35/38/22/179353822.db2.gz DFJOQBFREANEBY-INIZCTEOSA-N 1 3 261.413 2.477 10 0 CEAEHO CCCC[N@H+](CC)[C@@]1(CN)CCCN(CC)CC1 ZINC000086846573 179354981 /nfs/dbraw/zinc/35/49/81/179354981.db2.gz PWFVQTAWASOJSV-HNNXBMFYSA-N 1 3 255.450 2.312 10 0 CEAEHO CCCC[N@@H+](CC)[C@@]1(CN)CCCN(CC)CC1 ZINC000086846573 179354982 /nfs/dbraw/zinc/35/49/82/179354982.db2.gz PWFVQTAWASOJSV-HNNXBMFYSA-N 1 3 255.450 2.312 10 0 CEAEHO CCN1CCC[C@@](CN)([NH+]2CCCCCCC2)CC1 ZINC000086846630 179355550 /nfs/dbraw/zinc/35/55/50/179355550.db2.gz XMVKMSGMJPAGJJ-MRXNPFEDSA-N 1 3 267.461 2.456 10 0 CEAEHO CCN1CCC[C@H]([N@@H+]2CCCC[C@@H]2CCN)CC1 ZINC000086851143 179359034 /nfs/dbraw/zinc/35/90/34/179359034.db2.gz LVMUWMFQSWDIBL-CABCVRRESA-N 1 3 253.434 2.064 10 0 CEAEHO CCN1CCC[C@H]([N@H+]2CCCC[C@@H]2CCN)CC1 ZINC000086851143 179359036 /nfs/dbraw/zinc/35/90/36/179359036.db2.gz LVMUWMFQSWDIBL-CABCVRRESA-N 1 3 253.434 2.064 10 0 CEAEHO CCN1CCC[C@@H]([C@@H](C)[NH2+]CC2(O)CCCC2)C1 ZINC000087016212 179380828 /nfs/dbraw/zinc/38/08/28/179380828.db2.gz XZOFHNFAQGABAJ-ZIAGYGMSSA-N 1 3 254.418 2.002 10 0 CEAEHO C[C@@H]1CCC[C@](O)(C[NH2+]CCCN2CCCC2)C1 ZINC000087064890 179390039 /nfs/dbraw/zinc/39/00/39/179390039.db2.gz HWMFFINWOATIEN-HUUCEWRRSA-N 1 3 254.418 2.003 10 0 CEAEHO C[C@@H]1CCC[C@](O)(CNCCC[NH+]2CCCC2)C1 ZINC000087064890 179390040 /nfs/dbraw/zinc/39/00/40/179390040.db2.gz HWMFFINWOATIEN-HUUCEWRRSA-N 1 3 254.418 2.003 10 0 CEAEHO COC[C@@H](CCC[NH3+])N[C@H](C)c1cc(F)ccc1F ZINC000234749842 539735406 /nfs/dbraw/zinc/73/54/06/539735406.db2.gz VAVKMPIYUWDHBZ-ZYHUDNBSSA-N 1 3 272.339 2.369 10 0 CEAEHO CCCN[C@H]1COC[C@H]1C[NH2+]CC(C1CC1)C1CC1 ZINC000090567264 180006800 /nfs/dbraw/zinc/00/68/00/180006800.db2.gz SJYIHHKVLPGNBV-ZBFHGGJFSA-N 1 3 266.429 2.027 10 0 CEAEHO FC(F)(F)COCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCNC1 ZINC000090693623 180026407 /nfs/dbraw/zinc/02/64/07/180026407.db2.gz JRYMASDUPVIEKG-CHWSQXEVSA-N 1 3 294.361 2.419 10 0 CEAEHO FC(F)(F)COCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCNC1 ZINC000090693623 180026408 /nfs/dbraw/zinc/02/64/08/180026408.db2.gz JRYMASDUPVIEKG-CHWSQXEVSA-N 1 3 294.361 2.419 10 0 CEAEHO Fc1ccc2c(c1)C[C@H](C[NH2+]C[C@H]1CCN(C3CC3)C1)O2 ZINC000090892241 180053805 /nfs/dbraw/zinc/05/38/05/180053805.db2.gz KCSIYWBTHYBXOO-MLGOLLRUSA-N 1 3 290.382 2.203 10 0 CEAEHO Fc1ccc2c(c1)C[C@H](CNC[C@H]1CC[N@@H+](C3CC3)C1)O2 ZINC000090892241 180053807 /nfs/dbraw/zinc/05/38/07/180053807.db2.gz KCSIYWBTHYBXOO-MLGOLLRUSA-N 1 3 290.382 2.203 10 0 CEAEHO Fc1ccc2c(c1)C[C@H](CNC[C@H]1CC[N@H+](C3CC3)C1)O2 ZINC000090892241 180053808 /nfs/dbraw/zinc/05/38/08/180053808.db2.gz KCSIYWBTHYBXOO-MLGOLLRUSA-N 1 3 290.382 2.203 10 0 CEAEHO CCC[C@@H](C[NH3+])N1CCN(C[C@@H]2Cc3ccccc32)CC1 ZINC000090976048 180079133 /nfs/dbraw/zinc/07/91/33/180079133.db2.gz AXYDWAVCCGOMTD-IRXDYDNUSA-N 1 3 287.451 2.071 10 0 CEAEHO c1ncn(C2CC2)c1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000091277043 180120183 /nfs/dbraw/zinc/12/01/83/180120183.db2.gz WIWCDUQAYHXGGF-INIZCTEOSA-N 1 3 274.412 2.182 10 0 CEAEHO CN[C@@H]1CCCc2sc(N3CCC[C@H]([NH+](C)C)C3)nc21 ZINC000091429148 180153090 /nfs/dbraw/zinc/15/30/90/180153090.db2.gz XLFGOVQAWMZMQZ-NWDGAFQWSA-N 1 3 294.468 2.270 10 0 CEAEHO CN[C@H](C)C(C)(C)C[N@H+](CCO)C1CCCCC1 ZINC000091403845 180147592 /nfs/dbraw/zinc/14/75/92/180147592.db2.gz YFZINGGHMLPKJA-CYBMUJFWSA-N 1 3 256.434 2.248 10 0 CEAEHO CN[C@H](C)C(C)(C)C[N@@H+](CCO)C1CCCCC1 ZINC000091403845 180147595 /nfs/dbraw/zinc/14/75/95/180147595.db2.gz YFZINGGHMLPKJA-CYBMUJFWSA-N 1 3 256.434 2.248 10 0 CEAEHO C[NH2+][C@H](C)C(C)(C)CN(CCO)C1CCCCC1 ZINC000091403845 180147596 /nfs/dbraw/zinc/14/75/96/180147596.db2.gz YFZINGGHMLPKJA-CYBMUJFWSA-N 1 3 256.434 2.248 10 0 CEAEHO CC[NH+](CC)CC[C@@H](N)Cc1ccccc1OC ZINC000091715949 180232454 /nfs/dbraw/zinc/23/24/54/180232454.db2.gz UTWUNGTYTIHRFV-CQSZACIVSA-N 1 3 250.386 2.297 10 0 CEAEHO CCC[NH2+][C@@H](CCN(CC)CC)Cc1cnn(C)c1 ZINC000091716798 180232704 /nfs/dbraw/zinc/23/27/04/180232704.db2.gz PMMOKKUSCUSPEN-HNNXBMFYSA-N 1 3 266.433 2.063 10 0 CEAEHO CCCN[C@@H](CC[NH+](CC)CC)Cc1cnn(C)c1 ZINC000091716798 180232707 /nfs/dbraw/zinc/23/27/07/180232707.db2.gz PMMOKKUSCUSPEN-HNNXBMFYSA-N 1 3 266.433 2.063 10 0 CEAEHO CC[NH+](CC)CC[C@H](Cc1c(Cl)c(C)nn1C)NC ZINC000091716051 180232868 /nfs/dbraw/zinc/23/28/68/180232868.db2.gz SJIZRNGZGUBAMX-GFCCVEGCSA-N 1 3 286.851 2.244 10 0 CEAEHO CCN(CC)CC[C@H](Cc1c(Cl)c(C)nn1C)[NH2+]C ZINC000091716051 180232870 /nfs/dbraw/zinc/23/28/70/180232870.db2.gz SJIZRNGZGUBAMX-GFCCVEGCSA-N 1 3 286.851 2.244 10 0 CEAEHO CN(Cc1cn2ccccc2n1)C1CCC([NH3+])CC1 ZINC000091843985 180269150 /nfs/dbraw/zinc/26/91/50/180269150.db2.gz MHSGOKGJUITIKQ-UHFFFAOYSA-N 1 3 258.369 2.036 10 0 CEAEHO CCn1nc(C)cc1CN(C)C1CCC([NH2+]C)CC1 ZINC000091870696 180277546 /nfs/dbraw/zinc/27/75/46/180277546.db2.gz CSNSMHPNBBVYQZ-UHFFFAOYSA-N 1 3 264.417 2.174 10 0 CEAEHO CC(C)C1CCC(C[NH3+])(C2(O)CCN(C)CC2)CC1 ZINC000091906255 180284331 /nfs/dbraw/zinc/28/43/31/180284331.db2.gz QNUQMHGAOPJKSF-UHFFFAOYSA-N 1 3 268.445 2.234 10 0 CEAEHO CCCNCc1nc(C)ccc1OCC[NH+]1CCCC1 ZINC000091995185 180302218 /nfs/dbraw/zinc/30/22/18/180302218.db2.gz WRAPWNUZMLHRMM-UHFFFAOYSA-N 1 3 277.412 2.364 10 0 CEAEHO C[N@@H+]1CCC[C@H](CNC[C@@H]2COc3ccccc32)C1 ZINC000092300441 180358722 /nfs/dbraw/zinc/35/87/22/180358722.db2.gz IFNOLZONIXLSMA-ZIAGYGMSSA-N 1 3 260.381 2.094 10 0 CEAEHO C[N@H+]1CCC[C@H](CNC[C@@H]2COc3ccccc32)C1 ZINC000092300441 180358724 /nfs/dbraw/zinc/35/87/24/180358724.db2.gz IFNOLZONIXLSMA-ZIAGYGMSSA-N 1 3 260.381 2.094 10 0 CEAEHO CCN1CCC([N@H+](C)Cc2cccc(NC)n2)CC1 ZINC000092369350 180369798 /nfs/dbraw/zinc/36/97/98/180369798.db2.gz RWDBYLPJSDDAGS-UHFFFAOYSA-N 1 3 262.401 2.039 10 0 CEAEHO CCN1CCC([N@@H+](C)Cc2cccc(NC)n2)CC1 ZINC000092369350 180369801 /nfs/dbraw/zinc/36/98/01/180369801.db2.gz RWDBYLPJSDDAGS-UHFFFAOYSA-N 1 3 262.401 2.039 10 0 CEAEHO CC[NH2+][C@@H](Cc1nc(CCN(CC)CC)no1)C(C)C ZINC000109496201 186256354 /nfs/dbraw/zinc/25/63/54/186256354.db2.gz KMKQMWMXKMBERV-ZDUSSCGKSA-N 1 3 282.432 2.131 10 0 CEAEHO CN1CCN([C@@H](CC[NH3+])c2ccccc2)CC1(C)C ZINC000110706357 186314544 /nfs/dbraw/zinc/31/45/44/186314544.db2.gz XMVNBSJDQZCCIU-HNNXBMFYSA-N 1 3 261.413 2.103 10 0 CEAEHO CC[NH2+][C@H](CN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000110716875 186315431 /nfs/dbraw/zinc/31/54/31/186315431.db2.gz DBTWQDZYGXFPKY-MRXNPFEDSA-N 1 3 275.440 2.363 10 0 CEAEHO C[NH2+][C@H](c1ccccc1)[C@@H](C)N1CCN(C)C(C)(C)C1 ZINC000110717140 186315700 /nfs/dbraw/zinc/31/57/00/186315700.db2.gz IMFONBICKLPSAG-ZBFHGGJFSA-N 1 3 275.440 2.362 10 0 CEAEHO C[NH2+][C@H](CN1CCN(C)C(C)(C)C1)c1ccccc1C ZINC000110716731 186316690 /nfs/dbraw/zinc/31/66/90/186316690.db2.gz YHJSDGTWLLLOBG-MRXNPFEDSA-N 1 3 275.440 2.282 10 0 CEAEHO CCN1CCN([C@@H](C)C[NH2+]C2CCCCC2)C[C@@H]1C ZINC000110756570 186322077 /nfs/dbraw/zinc/32/20/77/186322077.db2.gz WYGQCYVYJOIDPI-GJZGRUSLSA-N 1 3 267.461 2.323 10 0 CEAEHO CC(C)C[NH2+]Cc1occc1CN(C)CCN(C)C ZINC000111149618 186360422 /nfs/dbraw/zinc/36/04/22/186360422.db2.gz GEJJPCWXPMBNGN-UHFFFAOYSA-N 1 3 267.417 2.019 10 0 CEAEHO CCc1nc(N(C)CCN(C)C)sc1C[NH2+]CC(C)C ZINC000111151827 186360815 /nfs/dbraw/zinc/36/08/15/186360815.db2.gz SVNZQGFBOJJUCC-UHFFFAOYSA-N 1 3 298.500 2.449 10 0 CEAEHO C[N@H+](CC1CCOCC1)[C@@H]1CCCCC[C@@H]1CN ZINC000111157520 186362640 /nfs/dbraw/zinc/36/26/40/186362640.db2.gz RDQVWDCELNBXDC-HUUCEWRRSA-N 1 3 254.418 2.252 10 0 CEAEHO C[N@@H+](CC1CCOCC1)[C@@H]1CCCCC[C@@H]1CN ZINC000111157520 186362641 /nfs/dbraw/zinc/36/26/41/186362641.db2.gz RDQVWDCELNBXDC-HUUCEWRRSA-N 1 3 254.418 2.252 10 0 CEAEHO CCN[C@H](C)c1c(F)cccc1N(C)CC[NH+](C)C ZINC000111138431 186356976 /nfs/dbraw/zinc/35/69/76/186356976.db2.gz TZYOGBJVDYYPPL-GFCCVEGCSA-N 1 3 267.392 2.494 10 0 CEAEHO CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1N(C)CCN(C)C ZINC000111135162 186357170 /nfs/dbraw/zinc/35/71/70/186357170.db2.gz RHFLEELXYFENHQ-OAGGEKHMSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[NH2+][C@H](CN(C)CCN(C)C)c1ccc(OCC)cc1 ZINC000111135291 186357274 /nfs/dbraw/zinc/35/72/74/186357274.db2.gz OVXGPWYFIXYMPU-QGZVFWFLSA-N 1 3 293.455 2.229 10 0 CEAEHO CC[NH2+][C@H](CN(C)CCN(C)C)c1ccc(C)c(C)c1 ZINC000111134489 186357528 /nfs/dbraw/zinc/35/75/28/186357528.db2.gz DBBGDICCOIKUMX-QGZVFWFLSA-N 1 3 277.456 2.447 10 0 CEAEHO Cc1ccc([C@H](N)CN(C)CCC[NH+](C)C)cc1C ZINC000111136402 186357850 /nfs/dbraw/zinc/35/78/50/186357850.db2.gz SRAOCVNZNQHEQU-MRXNPFEDSA-N 1 3 263.429 2.187 10 0 CEAEHO CCN[C@@H](C)c1c(F)cccc1N(C)CC[NH+](C)C ZINC000111138428 186358006 /nfs/dbraw/zinc/35/80/06/186358006.db2.gz TZYOGBJVDYYPPL-LBPRGKRZSA-N 1 3 267.392 2.494 10 0 CEAEHO CC(C)[NH2+]C[C@]1(CN(C)CC2CC2)CCCOC1 ZINC000111326080 186398285 /nfs/dbraw/zinc/39/82/85/186398285.db2.gz LSSHTCYQQCGZAC-HNNXBMFYSA-N 1 3 254.418 2.123 10 0 CEAEHO CCCC1CCN(C[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000111326013 186398832 /nfs/dbraw/zinc/39/88/32/186398832.db2.gz UNMSNBJMNZCOQW-HNNXBMFYSA-N 1 3 254.418 2.254 10 0 CEAEHO COCC[N@@H+]1CCN(c2ccnc3ccccc32)C[C@@H]1C ZINC000174735336 368060821 /nfs/dbraw/zinc/06/08/21/368060821.db2.gz RXYFWVLPQIJLLS-AWEZNQCLSA-N 1 3 285.391 2.392 10 0 CEAEHO COCC[N@H+]1CCN(c2ccnc3ccccc32)C[C@@H]1C ZINC000174735336 368060826 /nfs/dbraw/zinc/06/08/26/368060826.db2.gz RXYFWVLPQIJLLS-AWEZNQCLSA-N 1 3 285.391 2.392 10 0 CEAEHO COCCN1CCN(c2cc[nH+]c3ccccc32)C[C@@H]1C ZINC000174735336 368060833 /nfs/dbraw/zinc/06/08/33/368060833.db2.gz RXYFWVLPQIJLLS-AWEZNQCLSA-N 1 3 285.391 2.392 10 0 CEAEHO C[C@H](CNC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000194263458 370019126 /nfs/dbraw/zinc/01/91/26/370019126.db2.gz NRBWRVZUXADSBF-WBVHZDCISA-N 1 3 276.424 2.227 10 0 CEAEHO COc1cc(C)c(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000261607354 371674320 /nfs/dbraw/zinc/67/43/20/371674320.db2.gz DCKGPSZENLFASX-NWANDNLSSA-N 1 3 290.407 2.181 10 0 CEAEHO NC[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1c1ccccc1 ZINC000262009337 371797608 /nfs/dbraw/zinc/79/76/08/371797608.db2.gz UXWYUTGGWBBJCW-OIISXLGYSA-N 1 3 274.408 2.087 10 0 CEAEHO NC[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1c1ccccc1 ZINC000262009337 371797613 /nfs/dbraw/zinc/79/76/13/371797613.db2.gz UXWYUTGGWBBJCW-OIISXLGYSA-N 1 3 274.408 2.087 10 0 CEAEHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000262536222 371873967 /nfs/dbraw/zinc/87/39/67/371873967.db2.gz BEMJIPQAHJSVCG-BZUAXINKSA-N 1 3 289.423 2.053 10 0 CEAEHO COc1ccccc1OCCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000564824042 377465508 /nfs/dbraw/zinc/46/55/08/377465508.db2.gz RHQIGCUBWHCDRX-UONOGXRCSA-N 1 3 278.396 2.052 10 0 CEAEHO Cc1ccc(C)c([C@@H](C[NH3+])N2CCN3CCCC[C@@H]3C2)c1 ZINC000094438744 184798944 /nfs/dbraw/zinc/79/89/44/184798944.db2.gz SWWDQKMDGUOKHS-SJLPKXTDSA-N 1 3 287.451 2.473 10 0 CEAEHO C[NH2+][C@H](C)c1ccnc(OC[C@@H]2CCCCN2C)c1 ZINC000095002105 184913531 /nfs/dbraw/zinc/91/35/31/184913531.db2.gz UOTXMSWCGSTMKR-OCCSQVGLSA-N 1 3 263.385 2.225 10 0 CEAEHO C[NH+](C)[C@H]1CCCN(c2nc(CN)cc3ccccc32)C1 ZINC000091430828 135069978 /nfs/dbraw/zinc/06/99/78/135069978.db2.gz ZIVRAZLWINJAPE-HNNXBMFYSA-N 1 3 284.407 2.224 10 0 CEAEHO CCCNCc1cccnc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091449191 135070540 /nfs/dbraw/zinc/07/05/40/135070540.db2.gz WTTBAPFKOBDWPY-HNNXBMFYSA-N 1 3 276.428 2.112 10 0 CEAEHO [NH3+][C@H]1CC[C@H](CN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000091545237 135071672 /nfs/dbraw/zinc/07/16/72/135071672.db2.gz AZNFSSIDXRMIQX-ZFWWWQNUSA-N 1 3 277.387 2.075 10 0 CEAEHO [NH3+][C@H]1C=C[C@@H](CN2CCN(c3ccccc3Cl)CC2)C1 ZINC000092208948 135076093 /nfs/dbraw/zinc/07/60/93/135076093.db2.gz NKBXZUWZFNLXHU-KGLIPLIRSA-N 1 3 291.826 2.365 10 0 CEAEHO Cc1cccc(N2CCN(C[C@@H]3C=C[C@@H]([NH3+])C3)CC2)c1C ZINC000092208954 135076289 /nfs/dbraw/zinc/07/62/89/135076289.db2.gz LQQSPNNLLYJKKY-IAGOWNOFSA-N 1 3 285.435 2.329 10 0 CEAEHO CC[C@H](C)N1CCN(c2cccc(F)c2C(N)=[NH2+])CC1 ZINC000093408910 135080925 /nfs/dbraw/zinc/08/09/25/135080925.db2.gz QPPXVQYOJVVUNI-NSHDSACASA-N 1 3 278.375 2.030 10 0 CEAEHO COc1ccc2c(c1)CCN(C[C@H]1CCC[NH2+]C1)CC2 ZINC000261794318 394607476 /nfs/dbraw/zinc/60/74/76/394607476.db2.gz GIQADEPUMOIGKV-AWEZNQCLSA-N 1 3 274.408 2.095 10 0 CEAEHO COc1ccc2c(c1)CC[N@@H+](C[C@H]1CCCNC1)CC2 ZINC000261794318 394607480 /nfs/dbraw/zinc/60/74/80/394607480.db2.gz GIQADEPUMOIGKV-AWEZNQCLSA-N 1 3 274.408 2.095 10 0 CEAEHO COc1ccc2c(c1)CC[N@H+](C[C@H]1CCCNC1)CC2 ZINC000261794318 394607482 /nfs/dbraw/zinc/60/74/82/394607482.db2.gz GIQADEPUMOIGKV-AWEZNQCLSA-N 1 3 274.408 2.095 10 0 CEAEHO C[C@@H]1CN([C@H]2CCCc3cccnc32)C[C@@]1(C)C[NH3+] ZINC000382434052 395182011 /nfs/dbraw/zinc/18/20/11/395182011.db2.gz MPNZLIDQMXPDCO-IVMMDQJWSA-N 1 3 259.397 2.376 10 0 CEAEHO C[C@@H]1C[N@@H+]([C@H]2CCCc3cccnc32)C[C@@]1(C)CN ZINC000382434052 395182013 /nfs/dbraw/zinc/18/20/13/395182013.db2.gz MPNZLIDQMXPDCO-IVMMDQJWSA-N 1 3 259.397 2.376 10 0 CEAEHO C[C@@H]1C[N@H+]([C@H]2CCCc3cccnc32)C[C@@]1(C)CN ZINC000382434052 395182017 /nfs/dbraw/zinc/18/20/17/395182017.db2.gz MPNZLIDQMXPDCO-IVMMDQJWSA-N 1 3 259.397 2.376 10 0 CEAEHO O[C@H]1CCC[C@@H](C[NH+]2CCC(N3CCCCC3)CC2)C1 ZINC000383358410 395186508 /nfs/dbraw/zinc/18/65/08/395186508.db2.gz DGMRTFVEGUSYAA-WBVHZDCISA-N 1 3 280.456 2.488 10 0 CEAEHO C[C@@H](CNC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000194263443 395430738 /nfs/dbraw/zinc/43/07/38/395430738.db2.gz NRBWRVZUXADSBF-RDJZCZTQSA-N 1 3 276.424 2.227 10 0 CEAEHO C[C@@H](NCCOCC1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000574069936 395626003 /nfs/dbraw/zinc/62/60/03/395626003.db2.gz DQJRKSAIJYVTKS-UKRRQHHQSA-N 1 3 254.418 2.171 10 0 CEAEHO C[C@@H]([NH2+]CCOCC1CCCC1)[C@@H]1CCCNC1 ZINC000574069936 395626004 /nfs/dbraw/zinc/62/60/04/395626004.db2.gz DQJRKSAIJYVTKS-UKRRQHHQSA-N 1 3 254.418 2.171 10 0 CEAEHO CN(C)Cc1cccc(NC(=O)C2CCC([NH3+])CC2)c1 ZINC000037628013 400118029 /nfs/dbraw/zinc/11/80/29/400118029.db2.gz GZIJJXKUTCFCML-UHFFFAOYSA-N 1 3 275.396 2.204 10 0 CEAEHO COCC[NH2+]CCNc1cc(C)nc2ccccc21 ZINC000215502996 153293713 /nfs/dbraw/zinc/29/37/13/153293713.db2.gz NZSDKPKMOVRLFJ-UHFFFAOYSA-N 1 3 259.353 2.191 10 0 CEAEHO C[C@@H]1C[C@H](NC[C@@H]2C[NH2+]C[C@H]2O)C[C@@H](c2ccccc2)C1 ZINC000263314932 154054632 /nfs/dbraw/zinc/05/46/32/154054632.db2.gz ZIOGZXDSOPPPCL-PEJOBZMASA-N 1 3 288.435 2.129 10 0 CEAEHO CCCN1CCN([C@@H](C[NH3+])c2ccccc2Cl)CC1 ZINC000020179614 171044413 /nfs/dbraw/zinc/04/44/13/171044413.db2.gz DEDDXMNTNGLNBH-HNNXBMFYSA-N 1 3 281.831 2.367 10 0 CEAEHO Cc1ccccc1[C@H](C[NH3+])N1CCN(CC(C)C)CC1 ZINC000020179447 171044484 /nfs/dbraw/zinc/04/44/84/171044484.db2.gz YJKNOVJNHPKCSK-KRWDZBQOSA-N 1 3 275.440 2.268 10 0 CEAEHO CCCN1CCN([C@H](C[NH3+])c2cccc(Cl)c2)CC1 ZINC000020179636 171044590 /nfs/dbraw/zinc/04/45/90/171044590.db2.gz PPMIXQCQEOUWRM-OAHLLOKOSA-N 1 3 281.831 2.367 10 0 CEAEHO Cc1cccc(OC[C@H](CC[NH3+])N2CCCC2)c1C ZINC000020402081 171182684 /nfs/dbraw/zinc/18/26/84/171182684.db2.gz IFDOFUYIZYQGDW-HNNXBMFYSA-N 1 3 262.397 2.495 10 0 CEAEHO CCN1CCC[C@@H]([C@@H](C)[NH2+]CC(C)(C)N(C)C)C1 ZINC000037220647 173039079 /nfs/dbraw/zinc/03/90/79/173039079.db2.gz KHXZLXPDXNZXOP-ZIAGYGMSSA-N 1 3 255.450 2.037 10 0 CEAEHO C[NH2+]C[C@H]1CCCN([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000040593247 174347646 /nfs/dbraw/zinc/34/76/46/174347646.db2.gz AHYGJVYECRLXFY-QZTJIDSGSA-N 1 3 287.451 2.192 10 0 CEAEHO C(CC1CC[NH2+]CC1)CN1CCO[C@H]2CCCC[C@H]21 ZINC000050953916 414747941 /nfs/dbraw/zinc/74/79/41/414747941.db2.gz IEFXGTQNGPUAPD-CVEARBPZSA-N 1 3 266.429 2.410 10 0 CEAEHO C[NH2+][C@@H](c1ccccc1)[C@H](C)N1CCN(C(C)C)CC1 ZINC000043896876 175119565 /nfs/dbraw/zinc/11/95/65/175119565.db2.gz OMYFSVLEMPZRJL-DOTOQJQBSA-N 1 3 275.440 2.362 10 0 CEAEHO CCC[C@H]([NH2+]C)[C@@H](CC)N1CCN(C(C)C)CC1 ZINC000043896970 175120149 /nfs/dbraw/zinc/12/01/49/175120149.db2.gz VLKIPPZMEYDFIH-LSDHHAIUSA-N 1 3 255.450 2.179 10 0 CEAEHO CC[NH2+][C@H]1c2ccccc2C[C@H]1N1CCN(C(C)C)CC1 ZINC000043897101 175120204 /nfs/dbraw/zinc/12/02/04/175120204.db2.gz BUPOFDHILCMXER-MSOLQXFVSA-N 1 3 287.451 2.288 10 0 CEAEHO CC[NH2+][C@H](CC)[C@H](C)N1CCN(C(C)(C)C)CC1 ZINC000043965621 175127351 /nfs/dbraw/zinc/12/73/51/175127351.db2.gz QKWZJMPWZXSHNJ-UONOGXRCSA-N 1 3 255.450 2.179 10 0 CEAEHO C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)N(C)CC(C)(C)C ZINC000045068614 175300604 /nfs/dbraw/zinc/30/06/04/175300604.db2.gz HKJFRMVZOQQOMN-LBPRGKRZSA-N 1 3 277.412 2.450 10 0 CEAEHO CC[C@@H]1CCCC[C@]1(CN)[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071162241 176046121 /nfs/dbraw/zinc/04/61/21/176046121.db2.gz RTFZFIGXCBZJJC-BZUAXINKSA-N 1 3 267.461 2.168 10 0 CEAEHO CC[C@@H]1CCCC[C@]1(CN)[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071162241 176046122 /nfs/dbraw/zinc/04/61/22/176046122.db2.gz RTFZFIGXCBZJJC-BZUAXINKSA-N 1 3 267.461 2.168 10 0 CEAEHO CN1CC[C@H](C[N@H+](C)Cc2ccc(Cl)c(N)c2)C1 ZINC000071187768 176061417 /nfs/dbraw/zinc/06/14/17/176061417.db2.gz KXPKTRJAFRQDTH-LBPRGKRZSA-N 1 3 267.804 2.306 10 0 CEAEHO CN1CC[C@H](C[N@@H+](C)Cc2ccc(Cl)c(N)c2)C1 ZINC000071187768 176061419 /nfs/dbraw/zinc/06/14/19/176061419.db2.gz KXPKTRJAFRQDTH-LBPRGKRZSA-N 1 3 267.804 2.306 10 0 CEAEHO CC[C@@H]([C@H](N)c1ccccc1)[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188684 176063735 /nfs/dbraw/zinc/06/37/35/176063735.db2.gz QMWPGRRIVZPOFM-HYVNUMGLSA-N 1 3 275.440 2.349 10 0 CEAEHO CC[C@@H]([C@H](N)c1ccccc1)[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188684 176063737 /nfs/dbraw/zinc/06/37/37/176063737.db2.gz QMWPGRRIVZPOFM-HYVNUMGLSA-N 1 3 275.440 2.349 10 0 CEAEHO CN[C@H](C)c1c(F)cccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189411 176064591 /nfs/dbraw/zinc/06/45/91/176064591.db2.gz ASKQZJFWKYOIFH-CHWSQXEVSA-N 1 3 279.403 2.494 10 0 CEAEHO CN[C@H](C)c1c(F)cccc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189411 176064592 /nfs/dbraw/zinc/06/45/92/176064592.db2.gz ASKQZJFWKYOIFH-CHWSQXEVSA-N 1 3 279.403 2.494 10 0 CEAEHO CCCNCc1nc(CN(C)C[C@@H]2CC[N@H+](C)C2)cs1 ZINC000071192012 176071309 /nfs/dbraw/zinc/07/13/09/176071309.db2.gz JQXBTXHAGYLAGG-CYBMUJFWSA-N 1 3 296.484 2.026 10 0 CEAEHO CCCNCc1nc(CN(C)C[C@@H]2CC[N@@H+](C)C2)cs1 ZINC000071192012 176071312 /nfs/dbraw/zinc/07/13/12/176071312.db2.gz JQXBTXHAGYLAGG-CYBMUJFWSA-N 1 3 296.484 2.026 10 0 CEAEHO COCCN(CCC(N)=[NH2+])c1cc(C)nc2ccccc21 ZINC000071229374 176091007 /nfs/dbraw/zinc/09/10/07/176091007.db2.gz VQZORIMTAHUODT-UHFFFAOYSA-N 1 3 286.379 2.322 10 0 CEAEHO CC[NH2+]CCCCCCN1CCO[C@@H]2CCC[C@@H]21 ZINC000071289078 176110267 /nfs/dbraw/zinc/11/02/67/176110267.db2.gz YSQMZGDFWYNFEI-LSDHHAIUSA-N 1 3 254.418 2.410 10 0 CEAEHO C[C@@H](NC1CC(OCc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000573952777 314186739 /nfs/dbraw/zinc/18/67/39/314186739.db2.gz VTLOHGLIBJQOJZ-XNGJBWTFSA-N 1 3 274.408 2.322 10 0 CEAEHO CC(C)CN1CCN(CC[NH2+][C@@H]2CCC[C@H](C)C2)CC1 ZINC000055076035 519726173 /nfs/dbraw/zinc/72/61/73/519726173.db2.gz FFSOTZTZRIINCK-DLBZAZTESA-N 1 3 281.488 2.428 10 0 CEAEHO CC(C)[C@H](C[NH2+]C(C)(C)C)N1CCC[C@@H]1CN(C)C ZINC000061654677 519815849 /nfs/dbraw/zinc/81/58/49/519815849.db2.gz YFHVIHNKKNGOQL-CABCVRRESA-N 1 3 269.477 2.425 10 0 CEAEHO CCCCN(CCO)[C@@H](CC[NH3+])c1ccccc1 ZINC000055016759 520525387 /nfs/dbraw/zinc/52/53/87/520525387.db2.gz BEBBGRKNOAOXSW-HNNXBMFYSA-N 1 3 250.386 2.171 10 0 CEAEHO C[NH2+]Cc1ccoc1CN(C)CCc1ccncc1 ZINC000052483072 522140799 /nfs/dbraw/zinc/14/07/99/522140799.db2.gz CZWCFSVPRUMQNW-UHFFFAOYSA-N 1 3 259.353 2.069 10 0 CEAEHO C[C@H](NCCc1c[nH]c2ccccc12)[C@@H]1CC[NH2+]C1 ZINC000400530522 533868455 /nfs/dbraw/zinc/86/84/55/533868455.db2.gz RNQISJDNSICKLT-QWHCGFSZSA-N 1 3 257.381 2.298 10 0 CEAEHO C(C[C@@H]1CCC[NH2+]1)CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000052764676 518396263 /nfs/dbraw/zinc/39/62/63/518396263.db2.gz MQELXXMDMGYGRL-SOUVJXGZSA-N 1 3 252.402 2.162 10 0 CEAEHO CC(C)(C)N1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000050953237 518711592 /nfs/dbraw/zinc/71/15/92/518711592.db2.gz ZHKFNBQJORQLRQ-UHFFFAOYSA-N 1 3 267.461 2.182 10 0 CEAEHO CC(C)[NH2+]CC[C@H](C)N1CCN(C(C)(C)C)CC1 ZINC000052571718 519722018 /nfs/dbraw/zinc/72/20/18/519722018.db2.gz STRRQILLBMXYPY-AWEZNQCLSA-N 1 3 255.450 2.179 10 0 CEAEHO CC(C)[NH2+]C[C@@H]1CC[C@H](CN(C)CCc2ccccn2)O1 ZINC000052423974 519723893 /nfs/dbraw/zinc/72/38/93/519723893.db2.gz AZTUILDTVROBRO-DLBZAZTESA-N 1 3 291.439 2.102 10 0 CEAEHO CC(C)CN1CCN(C[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000055077623 519725969 /nfs/dbraw/zinc/72/59/69/519725969.db2.gz AQRLSMGFPJULIJ-QGZVFWFLSA-N 1 3 275.440 2.003 10 0 CEAEHO CC(C)CN1CCN(C[C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000055082044 519726391 /nfs/dbraw/zinc/72/63/91/519726391.db2.gz WQUIQYQWVNDHNP-HZPDHXFCSA-N 1 3 267.461 2.168 10 0 CEAEHO CC(C)CN1CCN(C[C@H](C[NH3+])c2ccccc2)CC1 ZINC000055077626 519726693 /nfs/dbraw/zinc/72/66/93/519726693.db2.gz AQRLSMGFPJULIJ-KRWDZBQOSA-N 1 3 275.440 2.003 10 0 CEAEHO CC(C)C[NH2+]CC1(CN2CC[C@H](O)C2)CCCCC1 ZINC000061711767 519742795 /nfs/dbraw/zinc/74/27/95/519742795.db2.gz RNMJZCUNWVGZRU-HNNXBMFYSA-N 1 3 268.445 2.249 10 0 CEAEHO CCCN1CCN([C@@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055022551 519859572 /nfs/dbraw/zinc/85/95/72/519859572.db2.gz ZQCBDBZRVPFBRT-HNNXBMFYSA-N 1 3 274.412 2.081 10 0 CEAEHO CCCN1CCN([C@@H]2C[C@H](C(C)C)CC[C@@H]2[NH2+]C)CC1 ZINC000054554500 519859686 /nfs/dbraw/zinc/85/96/86/519859686.db2.gz GEFBLLIYWBRGMO-IXDOHACOSA-N 1 3 281.488 2.427 10 0 CEAEHO CCC[NH2+]Cc1sc(N2CCCN(C)CC2)nc1C ZINC000054968949 519975367 /nfs/dbraw/zinc/97/53/67/519975367.db2.gz IQGRMTCVSBKALD-UHFFFAOYSA-N 1 3 282.457 2.093 10 0 CEAEHO CCC[NH2+][C@@H](C)c1cnc(N2CCCN(C)CC2)s1 ZINC000054899137 519991469 /nfs/dbraw/zinc/99/14/69/519991469.db2.gz MJQQCFXUKWRGKU-LBPRGKRZSA-N 1 3 282.457 2.346 10 0 CEAEHO CC[NH2+]Cc1ccc(CN2CCN(C3CC3)CC2)cc1 ZINC000052371380 519995194 /nfs/dbraw/zinc/99/51/94/519995194.db2.gz MNWAHVKRDGXBTI-UHFFFAOYSA-N 1 3 273.424 2.076 10 0 CEAEHO CCC[NH2+][C@@H]1CCC[C@@H]1N1CCN([C@@H](C)CC)CC1 ZINC000055066062 520023144 /nfs/dbraw/zinc/02/31/44/520023144.db2.gz AFVGASNFJIYJMV-XHSDSOJGSA-N 1 3 267.461 2.323 10 0 CEAEHO CCC[NH2+][C@H]1CCC[C@H]1CN1CCCC[C@@H]1CCO ZINC000053863740 520094587 /nfs/dbraw/zinc/09/45/87/520094587.db2.gz WBLATYKJEVEOLM-XHSDSOJGSA-N 1 3 268.445 2.392 10 0 CEAEHO CCN[C@H](C)c1cnc(N2CCC([NH+](C)C)CC2)s1 ZINC000054903754 520180915 /nfs/dbraw/zinc/18/09/15/520180915.db2.gz WIRRHJBEIVQZNQ-LLVKDONJSA-N 1 3 282.457 2.344 10 0 CEAEHO CCC[C@@H]([NH3+])[C@@H](CC)N1CCN([C@@H](C)CC)CC1 ZINC000055065338 520726461 /nfs/dbraw/zinc/72/64/61/520726461.db2.gz OSEFYCUHZMBADV-RRFJBIMHSA-N 1 3 255.450 2.309 10 0 CEAEHO CCC[C@H]1CN[C@@H](C(C)C)C[N@@H+]1CCn1ccnc1C ZINC000068695584 521222778 /nfs/dbraw/zinc/22/27/78/521222778.db2.gz DWXRWQQJECNDJJ-JKSUJKDBSA-N 1 3 278.444 2.290 10 0 CEAEHO CCC[C@H]1CN[C@@H](C(C)C)C[N@H+]1CCn1ccnc1C ZINC000068695584 521222784 /nfs/dbraw/zinc/22/27/84/521222784.db2.gz DWXRWQQJECNDJJ-JKSUJKDBSA-N 1 3 278.444 2.290 10 0 CEAEHO CCC(CC)[N@H+](CCOC)Cc1cc(CN)co1 ZINC000052573361 521558624 /nfs/dbraw/zinc/55/86/24/521558624.db2.gz DFVYOUNLALLULU-UHFFFAOYSA-N 1 3 254.374 2.375 10 0 CEAEHO CCC(CC)[N@@H+](CCOC)Cc1cc(CN)co1 ZINC000052573361 521558632 /nfs/dbraw/zinc/55/86/32/521558632.db2.gz DFVYOUNLALLULU-UHFFFAOYSA-N 1 3 254.374 2.375 10 0 CEAEHO CCC(CC)[NH2+]CCN1CCN(C2CCCC2)CC1 ZINC000053388880 521596846 /nfs/dbraw/zinc/59/68/46/521596846.db2.gz YXDFCBZEIUAEDE-UHFFFAOYSA-N 1 3 267.461 2.325 10 0 CEAEHO CN(C)C[C@@H]1CCC[N@@H+]1[C@@H]1CCc2ccccc2[C@@H]1N ZINC000061643459 521843401 /nfs/dbraw/zinc/84/34/01/521843401.db2.gz JODMQGDULLUINX-UAGQMJEPSA-N 1 3 273.424 2.027 10 0 CEAEHO CN(C)C[C@@H]1CCC[N@H+]1[C@@H]1CCc2ccccc2[C@@H]1N ZINC000061643459 521843405 /nfs/dbraw/zinc/84/34/05/521843405.db2.gz JODMQGDULLUINX-UAGQMJEPSA-N 1 3 273.424 2.027 10 0 CEAEHO C[NH2+]CCC[C@@H](C)N1CCN(c2cccc(OC)c2)CC1 ZINC000052423703 521999163 /nfs/dbraw/zinc/99/91/63/521999163.db2.gz KHWUBCZOUBHFSS-OAHLLOKOSA-N 1 3 291.439 2.205 10 0 CEAEHO C[NH2+]Cc1cc(CN2CCCSCC2)c(C)o1 ZINC000052371167 522106181 /nfs/dbraw/zinc/10/61/81/522106181.db2.gz QFWZNTKYNJOFDX-UHFFFAOYSA-N 1 3 254.399 2.246 10 0 CEAEHO CC[C@@H](C)N1CCN(CC[NH2+]CCC(C)(C)C)CC1 ZINC000055075482 522120877 /nfs/dbraw/zinc/12/08/77/522120877.db2.gz ZZWMSPWLQLQGOY-OAHLLOKOSA-N 1 3 269.477 2.428 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C[NH3+])c2ccc(C)s2)CC1 ZINC000055063804 522131686 /nfs/dbraw/zinc/13/16/86/522131686.db2.gz HEJACUXUUVTISX-TZMCWYRMSA-N 1 3 281.469 2.472 10 0 CEAEHO CC[C@H]([NH3+])[C@@H](c1ccccn1)N1CCN(CC(C)C)CC1 ZINC000055077431 522339130 /nfs/dbraw/zinc/33/91/30/522339130.db2.gz QHXKQKQJYJWYOD-RDJZCZTQSA-N 1 3 290.455 2.134 10 0 CEAEHO CCc1nc(N2CCCN(C)CC2)sc1C[NH2+]C1CC1 ZINC000054968961 522385122 /nfs/dbraw/zinc/38/51/22/522385122.db2.gz KSCROEBTUPVKRE-UHFFFAOYSA-N 1 3 294.468 2.099 10 0 CEAEHO CN[C@H](CC[N@@H+]1CCC[C@@H]1CN(C)C)c1ccccc1 ZINC000061653619 522459905 /nfs/dbraw/zinc/45/99/05/522459905.db2.gz VLZWMWZENSAQFO-IAGOWNOFSA-N 1 3 275.440 2.363 10 0 CEAEHO CN[C@H](CC[N@H+]1CCC[C@@H]1CN(C)C)c1ccccc1 ZINC000061653619 522459915 /nfs/dbraw/zinc/45/99/15/522459915.db2.gz VLZWMWZENSAQFO-IAGOWNOFSA-N 1 3 275.440 2.363 10 0 CEAEHO C[NH2+][C@H]1CCCC[C@@H]1CN1CCN(CC(C)C)CC1 ZINC000055082084 522490645 /nfs/dbraw/zinc/49/06/45/522490645.db2.gz VLJSJYWLVMIROR-CVEARBPZSA-N 1 3 267.461 2.038 10 0 CEAEHO CC[C@@H]([NH3+])[C@@H](c1ccco1)N1CC[C@H](N2CCCC2)C1 ZINC000062977508 522649487 /nfs/dbraw/zinc/64/94/87/522649487.db2.gz JQPNYAGBUODFPR-LZWOXQAQSA-N 1 3 277.412 2.228 10 0 CEAEHO COC1CCN([C@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055022784 522707307 /nfs/dbraw/zinc/70/73/07/522707307.db2.gz YISNEKQWJHMGTM-CQSZACIVSA-N 1 3 261.369 2.165 10 0 CEAEHO CC[C@H](C)N1CCN(CC2(C[NH2+]C)CCCC2)CC1 ZINC000055071951 523953324 /nfs/dbraw/zinc/95/33/24/523953324.db2.gz PJGWWRXVTKVZGM-HNNXBMFYSA-N 1 3 267.461 2.182 10 0 CEAEHO C[NH+](C)CC1CCN(c2ncc(CNC3CC3)s2)CC1 ZINC000054907417 524050482 /nfs/dbraw/zinc/05/04/82/524050482.db2.gz QSMVJCCMWPGGLT-UHFFFAOYSA-N 1 3 294.468 2.173 10 0 CEAEHO Cc1n[nH]cc1CCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000157433625 525499246 /nfs/dbraw/zinc/49/92/46/525499246.db2.gz XGSRJXVTLJCPBE-CVEARBPZSA-N 1 3 270.380 2.385 10 0 CEAEHO Cc1cn2c(C[NH2+][C@H](C)CCN(C)C)c(C)nc2s1 ZINC000049553915 525916289 /nfs/dbraw/zinc/91/62/89/525916289.db2.gz QCXSNQHSMSJTPW-SNVBAGLBSA-N 1 3 280.441 2.442 10 0 CEAEHO Cc1ccc([C@H](N)[C@H](C)[N@@H+]2CCC[C@@H]2CN(C)C)cc1 ZINC000061643504 525961021 /nfs/dbraw/zinc/96/10/21/525961021.db2.gz PASNUHYIPKSXGP-USXIJHARSA-N 1 3 275.440 2.409 10 0 CEAEHO Cc1ccc([C@H](N)[C@H](C)[N@H+]2CCC[C@@H]2CN(C)C)cc1 ZINC000061643504 525961029 /nfs/dbraw/zinc/96/10/29/525961029.db2.gz PASNUHYIPKSXGP-USXIJHARSA-N 1 3 275.440 2.409 10 0 CEAEHO C[C@H](c1ccccc1)[C@@H](CN)[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061642805 526100794 /nfs/dbraw/zinc/10/07/94/526100794.db2.gz PYDCMHBZMMPLFG-DJIMGWMZSA-N 1 3 275.440 2.143 10 0 CEAEHO C[C@H](c1ccccc1)[C@@H](CN)[N@H+]1CCC[C@@H]1CN(C)C ZINC000061642805 526100803 /nfs/dbraw/zinc/10/08/03/526100803.db2.gz PYDCMHBZMMPLFG-DJIMGWMZSA-N 1 3 275.440 2.143 10 0 CEAEHO Cc1nc(N2CCC([NH+](C)C)CC2)sc1[C@@H](C)N ZINC000054895667 526962624 /nfs/dbraw/zinc/96/26/24/526962624.db2.gz IZHZVEQXLKKSRD-SECBINFHSA-N 1 3 268.430 2.002 10 0 CEAEHO [NH3+]Cc1ccc(F)cc1CN1CCN(C2CCCC2)CC1 ZINC000069401550 527254871 /nfs/dbraw/zinc/25/48/71/527254871.db2.gz LTGXMXRAZITMSE-UHFFFAOYSA-N 1 3 291.414 2.345 10 0 CEAEHO [NH3+]CCNc1c2ccccc2nc2c1CCCCC2 ZINC000584904567 345004656 /nfs/dbraw/zinc/00/46/56/345004656.db2.gz YZSFRKVSZCSXLG-UHFFFAOYSA-N 1 3 255.365 2.296 10 0 CEAEHO CN(C)Cc1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085359247 179031783 /nfs/dbraw/zinc/03/17/83/179031783.db2.gz MIMJQFAKQUKJFW-KGLIPLIRSA-N 1 3 275.396 2.204 10 0 CEAEHO CN(C)Cc1ccccc1NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085359251 179031939 /nfs/dbraw/zinc/03/19/39/179031939.db2.gz MIMJQFAKQUKJFW-ZIAGYGMSSA-N 1 3 275.396 2.204 10 0 CEAEHO CC[C@@H](C)[C@H]1C[N@H+](C[C@@H]2CCCCO2)CCCN1 ZINC000085609442 179101865 /nfs/dbraw/zinc/10/18/65/179101865.db2.gz ULLRVVFDJUXDNO-QLFBSQMISA-N 1 3 254.418 2.266 10 0 CEAEHO CC[C@@H](C)[C@H]1C[N@@H+](C[C@@H]2CCCCO2)CCCN1 ZINC000085609442 179101868 /nfs/dbraw/zinc/10/18/68/179101868.db2.gz ULLRVVFDJUXDNO-QLFBSQMISA-N 1 3 254.418 2.266 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@H+](C[C@@H]2CCCN(C)C2)[C@@H](CC)CN1 ZINC000086173722 179244141 /nfs/dbraw/zinc/24/41/41/179244141.db2.gz WSKQZAXNWOAKSW-VVLHAWIVSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@@H+](C[C@@H]2CCCN(C)C2)[C@@H](CC)CN1 ZINC000086173722 179244143 /nfs/dbraw/zinc/24/41/43/179244143.db2.gz WSKQZAXNWOAKSW-VVLHAWIVSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@@H](C)[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086172103 179244632 /nfs/dbraw/zinc/24/46/32/179244632.db2.gz RURXMBMRKLYMAR-NCOADZHNSA-N 1 3 281.488 2.425 10 0 CEAEHO CC[C@@H](C)[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086172103 179244635 /nfs/dbraw/zinc/24/46/35/179244635.db2.gz RURXMBMRKLYMAR-NCOADZHNSA-N 1 3 281.488 2.425 10 0 CEAEHO CC[C@@H](C)[C@@H]1CN([C@@H]2CCCN(C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086172103 179244638 /nfs/dbraw/zinc/24/46/38/179244638.db2.gz RURXMBMRKLYMAR-NCOADZHNSA-N 1 3 281.488 2.425 10 0 CEAEHO CCC[C@@H]1C[N@H+](C2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086217877 179249408 /nfs/dbraw/zinc/24/94/08/179249408.db2.gz VKJAWRTXYBKNQU-ZBFHGGJFSA-N 1 3 267.461 2.179 10 0 CEAEHO CCC[C@@H]1C[N@@H+](C2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086217877 179249410 /nfs/dbraw/zinc/24/94/10/179249410.db2.gz VKJAWRTXYBKNQU-ZBFHGGJFSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCN(CC)C1 ZINC000086223001 179250997 /nfs/dbraw/zinc/25/09/97/179250997.db2.gz MFKFJXXQPKMTJK-HYVNUMGLSA-N 1 3 279.472 2.181 10 0 CEAEHO CC[C@H]1CN[C@@](C)(C2CC2)C[N@H+]1C[C@@H]1CCN(CC)C1 ZINC000086223001 179250999 /nfs/dbraw/zinc/25/09/99/179250999.db2.gz MFKFJXXQPKMTJK-HYVNUMGLSA-N 1 3 279.472 2.181 10 0 CEAEHO CC[C@@H]1CNC(CC)(CC)C[N@@H+]1[C@@H]1CCCN(C)C1 ZINC000086223932 179253023 /nfs/dbraw/zinc/25/30/23/179253023.db2.gz KZPNNPRXHGHIEK-HUUCEWRRSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@@H]1CNC(CC)(CC)C[N@H+]1[C@@H]1CCCN(C)C1 ZINC000086223932 179253024 /nfs/dbraw/zinc/25/30/24/179253024.db2.gz KZPNNPRXHGHIEK-HUUCEWRRSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@@H]1C[NH2+]C(CC)(CC)CN1[C@@H]1CCCN(C)C1 ZINC000086223932 179253025 /nfs/dbraw/zinc/25/30/25/179253025.db2.gz KZPNNPRXHGHIEK-HUUCEWRRSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@H]1CN[C@](C)(CC)C[N@@H+]1[C@@H]1CCCN(CC)C1 ZINC000086225413 179253290 /nfs/dbraw/zinc/25/32/90/179253290.db2.gz UHJZKOZGAZMPMA-ARFHVFGLSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@H]1CN[C@](C)(CC)C[N@H+]1[C@@H]1CCCN(CC)C1 ZINC000086225413 179253291 /nfs/dbraw/zinc/25/32/91/179253291.db2.gz UHJZKOZGAZMPMA-ARFHVFGLSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@@H]1C[NH2+]C(CC)(CC)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259597 179258122 /nfs/dbraw/zinc/25/81/22/179258122.db2.gz SYCBRYJMPZYCSQ-GDBMZVCRSA-N 1 3 279.472 2.466 10 0 CEAEHO CC[C@@H]1CNC(CC)(CC)C[N@@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259597 179258123 /nfs/dbraw/zinc/25/81/23/179258123.db2.gz SYCBRYJMPZYCSQ-GDBMZVCRSA-N 1 3 279.472 2.466 10 0 CEAEHO CC[C@@H]1CNC(CC)(CC)C[N@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259597 179258124 /nfs/dbraw/zinc/25/81/24/179258124.db2.gz SYCBRYJMPZYCSQ-GDBMZVCRSA-N 1 3 279.472 2.466 10 0 CEAEHO C[C@H]1C[NH2+][C@@H](C2CCCCC2)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259622 179258355 /nfs/dbraw/zinc/25/83/55/179258355.db2.gz SXJTXNUDRFZLEH-BMGDILEWSA-N 1 3 291.483 2.466 10 0 CEAEHO CC[C@H]1C[NH2+][C@@](C)(CC)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259628 179259229 /nfs/dbraw/zinc/25/92/29/179259229.db2.gz GMIXWBXCYXNFQK-IMJJTQAJSA-N 1 3 265.445 2.076 10 0 CEAEHO CC[C@H]1CN[C@@](C)(CC)C[N@@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259628 179259231 /nfs/dbraw/zinc/25/92/31/179259231.db2.gz GMIXWBXCYXNFQK-IMJJTQAJSA-N 1 3 265.445 2.076 10 0 CEAEHO CC[C@H]1CN[C@@](C)(CC)C[N@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259628 179259233 /nfs/dbraw/zinc/25/92/33/179259233.db2.gz GMIXWBXCYXNFQK-IMJJTQAJSA-N 1 3 265.445 2.076 10 0 CEAEHO CC1(C)C[N@H+](CCc2ccc(F)cc2)CCCN1 ZINC000086285642 179263851 /nfs/dbraw/zinc/26/38/51/179263851.db2.gz UYZWNKPKWSMHNL-UHFFFAOYSA-N 1 3 250.361 2.442 10 0 CEAEHO CC1(C)C[N@@H+](CCc2ccc(F)cc2)CCCN1 ZINC000086285642 179263853 /nfs/dbraw/zinc/26/38/53/179263853.db2.gz UYZWNKPKWSMHNL-UHFFFAOYSA-N 1 3 250.361 2.442 10 0 CEAEHO C[C@H]([C@@H]1CCCO1)[N@@H+]1CCCN[C@H](C(C)(C)C)C1 ZINC000086287103 179264874 /nfs/dbraw/zinc/26/48/74/179264874.db2.gz ZJVFJQJVDIADGF-RDBSUJKOSA-N 1 3 254.418 2.264 10 0 CEAEHO C[C@H]([C@@H]1CCCO1)[N@H+]1CCCN[C@H](C(C)(C)C)C1 ZINC000086287103 179264875 /nfs/dbraw/zinc/26/48/75/179264875.db2.gz ZJVFJQJVDIADGF-RDBSUJKOSA-N 1 3 254.418 2.264 10 0 CEAEHO C[C@H]([C@@H]1CCCO1)N1CCC[NH2+][C@H](C(C)(C)C)C1 ZINC000086287103 179264877 /nfs/dbraw/zinc/26/48/77/179264877.db2.gz ZJVFJQJVDIADGF-RDBSUJKOSA-N 1 3 254.418 2.264 10 0 CEAEHO CN[C@H]1CCCc2sc(N(C)CC[NH+]3CCCC3)nc21 ZINC000086444101 179293436 /nfs/dbraw/zinc/29/34/36/179293436.db2.gz GTOKDHKYPSEANB-LBPRGKRZSA-N 1 3 294.468 2.272 10 0 CEAEHO CN[C@H]1CCCc2sc(N(C)C3CC[NH+](C)CC3)nc21 ZINC000086442035 179293885 /nfs/dbraw/zinc/29/38/85/179293885.db2.gz UWCXOPMIVCCYKY-LBPRGKRZSA-N 1 3 294.468 2.270 10 0 CEAEHO CC[N@H+](C1CCCC1)[C@@]1(CN)CCCN(C)CC1 ZINC000086819295 179348554 /nfs/dbraw/zinc/34/85/54/179348554.db2.gz YQZDXLWKXLVXCG-HNNXBMFYSA-N 1 3 253.434 2.064 10 0 CEAEHO CC[N@@H+](C1CCCC1)[C@@]1(CN)CCCN(C)CC1 ZINC000086819295 179348555 /nfs/dbraw/zinc/34/85/55/179348555.db2.gz YQZDXLWKXLVXCG-HNNXBMFYSA-N 1 3 253.434 2.064 10 0 CEAEHO CCN1CCC[C@@](CN)([N@H+](C)CC2CCCC2)CC1 ZINC000086848734 179356673 /nfs/dbraw/zinc/35/66/73/179356673.db2.gz QYIUCPSWTHYESY-MRXNPFEDSA-N 1 3 267.461 2.312 10 0 CEAEHO CCN1CCC[C@@](CN)([N@@H+](C)CC2CCCC2)CC1 ZINC000086848734 179356675 /nfs/dbraw/zinc/35/66/75/179356675.db2.gz QYIUCPSWTHYESY-MRXNPFEDSA-N 1 3 267.461 2.312 10 0 CEAEHO CCOC(=O)C[C@]1([NH+](C)C)CCCN(C(C)C)CC1 ZINC000086868529 179360510 /nfs/dbraw/zinc/36/05/10/179360510.db2.gz YKDOTCLSFJZXCQ-HNNXBMFYSA-N 1 3 270.417 2.134 10 0 CEAEHO CCOC(=O)C[C@]1(N(C)C)CCC[N@@H+](C(C)C)CC1 ZINC000086868529 179360512 /nfs/dbraw/zinc/36/05/12/179360512.db2.gz YKDOTCLSFJZXCQ-HNNXBMFYSA-N 1 3 270.417 2.134 10 0 CEAEHO CCOC(=O)C[C@]1(N(C)C)CCC[N@H+](C(C)C)CC1 ZINC000086868529 179360514 /nfs/dbraw/zinc/36/05/14/179360514.db2.gz YKDOTCLSFJZXCQ-HNNXBMFYSA-N 1 3 270.417 2.134 10 0 CEAEHO C[C@H]1CCC[C@@](CN)([N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC000086891434 179366360 /nfs/dbraw/zinc/36/63/60/179366360.db2.gz LBSVYUQUJUJJHS-GOEBONIOSA-N 1 3 267.461 2.310 10 0 CEAEHO C[C@H]1CCC[C@@](CN)([N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC000086891434 179366361 /nfs/dbraw/zinc/36/63/61/179366361.db2.gz LBSVYUQUJUJJHS-GOEBONIOSA-N 1 3 267.461 2.310 10 0 CEAEHO C[C@H]1CCC[C@@](C[NH3+])(N2CCN(C)C(C)(C)C2)CC1 ZINC000086891434 179366362 /nfs/dbraw/zinc/36/63/62/179366362.db2.gz LBSVYUQUJUJJHS-GOEBONIOSA-N 1 3 267.461 2.310 10 0 CEAEHO CCCN1CCC[C@@H]([NH2+]CC(O)(CC)CC)CC1 ZINC000087014626 179379816 /nfs/dbraw/zinc/37/98/16/179379816.db2.gz UDYIIKRDMYXEHF-CQSZACIVSA-N 1 3 256.434 2.392 10 0 CEAEHO CCC[N@@H+]1CCC[C@@H](NCC(O)(CC)CC)CC1 ZINC000087014626 179379817 /nfs/dbraw/zinc/37/98/17/179379817.db2.gz UDYIIKRDMYXEHF-CQSZACIVSA-N 1 3 256.434 2.392 10 0 CEAEHO CCC[N@H+]1CCC[C@@H](NCC(O)(CC)CC)CC1 ZINC000087014626 179379819 /nfs/dbraw/zinc/37/98/19/179379819.db2.gz UDYIIKRDMYXEHF-CQSZACIVSA-N 1 3 256.434 2.392 10 0 CEAEHO C(C[NH2+][C@H]1CCCNCC1)COC1CCCCC1 ZINC000128916308 187398940 /nfs/dbraw/zinc/39/89/40/187398940.db2.gz DDIRYKLQSVMLNC-AWEZNQCLSA-N 1 3 254.418 2.458 10 0 CEAEHO COc1ccc(CC[C@](C)(C[NH3+])NC[C@@H]2CCCO2)cc1 ZINC000087928748 179525147 /nfs/dbraw/zinc/52/51/47/179525147.db2.gz PIICAZABERSSPH-DLBZAZTESA-N 1 3 292.423 2.114 10 0 CEAEHO CCCN[C@H]1COC[C@@H]1C[N@@H+]1CCCC(C)(C)C1 ZINC000090567043 180006553 /nfs/dbraw/zinc/00/65/53/180006553.db2.gz AINFCZSAOGMXAJ-KBPBESRZSA-N 1 3 254.418 2.123 10 0 CEAEHO CCCN[C@H]1COC[C@@H]1C[N@H+]1CCCC(C)(C)C1 ZINC000090567043 180006554 /nfs/dbraw/zinc/00/65/54/180006554.db2.gz AINFCZSAOGMXAJ-KBPBESRZSA-N 1 3 254.418 2.123 10 0 CEAEHO CCC[NH2+][C@H]1COC[C@@H]1CN1CCCC(C)(C)C1 ZINC000090567043 180006556 /nfs/dbraw/zinc/00/65/56/180006556.db2.gz AINFCZSAOGMXAJ-KBPBESRZSA-N 1 3 254.418 2.123 10 0 CEAEHO CCC(C)(C)NC(=O)[C@@H](C)N(C)CCC1CC[NH2+]CC1 ZINC000090694074 180026485 /nfs/dbraw/zinc/02/64/85/180026485.db2.gz OZWHPDLYNQHUQJ-CYBMUJFWSA-N 1 3 283.460 2.001 10 0 CEAEHO C[C@@H]1CC[C@H](C[NH3+])CN1C[C@@H]1Cc2ccccc2O1 ZINC000090875334 180050736 /nfs/dbraw/zinc/05/07/36/180050736.db2.gz JRJMFLKFDWVOHM-NFAWXSAZSA-N 1 3 260.381 2.049 10 0 CEAEHO CCN1CC[C@@H](C[NH2+]C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090892206 180054012 /nfs/dbraw/zinc/05/40/12/180054012.db2.gz KHJIPPRGLKNJDD-WFASDCNBSA-N 1 3 278.371 2.061 10 0 CEAEHO CC[N@@H+]1CC[C@@H](CNC[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090892206 180054013 /nfs/dbraw/zinc/05/40/13/180054013.db2.gz KHJIPPRGLKNJDD-WFASDCNBSA-N 1 3 278.371 2.061 10 0 CEAEHO CC[N@H+]1CC[C@@H](CNC[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090892206 180054014 /nfs/dbraw/zinc/05/40/14/180054014.db2.gz KHJIPPRGLKNJDD-WFASDCNBSA-N 1 3 278.371 2.061 10 0 CEAEHO CCCN(CCC[NH3+])C[C@H]1Cc2cc(C)ccc2O1 ZINC000090896975 180056979 /nfs/dbraw/zinc/05/69/79/180056979.db2.gz MUJGJPLRACBZIS-OAHLLOKOSA-N 1 3 262.397 2.359 10 0 CEAEHO C[C@H](CCC[NH2+]C(C)(C)C)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090907814 180062189 /nfs/dbraw/zinc/06/21/89/180062189.db2.gz PCGVPZIYOWKVDQ-MCIONIFRSA-N 1 3 254.418 2.406 10 0 CEAEHO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1C[C@@H]1Cc2ccccc21 ZINC000090978336 180079189 /nfs/dbraw/zinc/07/91/89/180079189.db2.gz BVGGIQRSDIFBSX-OFQRWUPVSA-N 1 3 256.393 2.256 10 0 CEAEHO CC[N@@H+]1CCC[C@@H]1CNCc1c[nH]c2ncccc12 ZINC000091016169 180086876 /nfs/dbraw/zinc/08/68/76/180086876.db2.gz VUEVBLUOEPUJSG-CYBMUJFWSA-N 1 3 258.369 2.137 10 0 CEAEHO CC[N@H+]1CCC[C@@H]1CNCc1c[nH]c2ncccc12 ZINC000091016169 180086878 /nfs/dbraw/zinc/08/68/78/180086878.db2.gz VUEVBLUOEPUJSG-CYBMUJFWSA-N 1 3 258.369 2.137 10 0 CEAEHO CC(C)NCc1occc1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000091449262 180157516 /nfs/dbraw/zinc/15/75/16/180157516.db2.gz BRBSLTDJRGVLOU-OAHLLOKOSA-N 1 3 279.428 2.304 10 0 CEAEHO Cc1ccsc1[C@H](CN)N1CCC[C@H]([NH+](C)C)C1 ZINC000091395154 180146003 /nfs/dbraw/zinc/14/60/03/180146003.db2.gz KNASIAGWIDVCCY-STQMWFEESA-N 1 3 267.442 2.082 10 0 CEAEHO CCCCN(CCO)CC(C)(C)[C@H](C)[NH2+]CCC ZINC000091403458 180146906 /nfs/dbraw/zinc/14/69/06/180146906.db2.gz HPSRUIYQRICVLE-AWEZNQCLSA-N 1 3 258.450 2.495 10 0 CEAEHO CC[NH2+][C@@H](C)C(C)(C)CN(CCO)C1CCCC1 ZINC000091403820 180147068 /nfs/dbraw/zinc/14/70/68/180147068.db2.gz DDJZMZNKFZLGJR-ZDUSSCGKSA-N 1 3 256.434 2.248 10 0 CEAEHO CCN[C@@H](C)C(C)(C)C[N@H+](CCO)C1CCCC1 ZINC000091403820 180147069 /nfs/dbraw/zinc/14/70/69/180147069.db2.gz DDJZMZNKFZLGJR-ZDUSSCGKSA-N 1 3 256.434 2.248 10 0 CEAEHO CCN[C@@H](C)C(C)(C)C[N@@H+](CCO)C1CCCC1 ZINC000091403820 180147070 /nfs/dbraw/zinc/14/70/70/180147070.db2.gz DDJZMZNKFZLGJR-ZDUSSCGKSA-N 1 3 256.434 2.248 10 0 CEAEHO CC[C@](C)([C@@H]([NH3+])CC1CCOCC1)N1CCCC1 ZINC000091604764 180204714 /nfs/dbraw/zinc/20/47/14/180204714.db2.gz VDBWPLGMQUXVLM-LSDHHAIUSA-N 1 3 254.418 2.395 10 0 CEAEHO CCN(CC)C1([C@@H](Cc2cnccc2N)[NH2+]C)CCCC1 ZINC000091639459 180212254 /nfs/dbraw/zinc/21/22/54/180212254.db2.gz GJRFFBKBLHJZHD-MRXNPFEDSA-N 1 3 290.455 2.449 10 0 CEAEHO CC[NH+](CC)C1([C@@H](Cc2cnccc2N)NC)CCCC1 ZINC000091639459 180212257 /nfs/dbraw/zinc/21/22/57/180212257.db2.gz GJRFFBKBLHJZHD-MRXNPFEDSA-N 1 3 290.455 2.449 10 0 CEAEHO C[NH2+][C@H](Cc1cnccc1N)C1(N2CCCC2)CCCC1 ZINC000091640886 180212928 /nfs/dbraw/zinc/21/29/28/180212928.db2.gz BZWKMKFRACBTTQ-MRXNPFEDSA-N 1 3 288.439 2.203 10 0 CEAEHO CC[NH2+][C@@H](Cc1cnccc1N)C1(N(C)C)CCCCC1 ZINC000091647772 180215763 /nfs/dbraw/zinc/21/57/63/180215763.db2.gz KINFUBMSOLUHJY-INIZCTEOSA-N 1 3 290.455 2.449 10 0 CEAEHO CCN[C@@H](CC[NH+](CC)CC)Cc1cc(C)nn1CC ZINC000091716558 180232819 /nfs/dbraw/zinc/23/28/19/180232819.db2.gz DSGREJFHJMSYMZ-HNNXBMFYSA-N 1 3 280.460 2.464 10 0 CEAEHO CC[NH2+][C@@H](CCN(CC)CC)Cc1cc(C)nn1CC ZINC000091716558 180232821 /nfs/dbraw/zinc/23/28/21/180232821.db2.gz DSGREJFHJMSYMZ-HNNXBMFYSA-N 1 3 280.460 2.464 10 0 CEAEHO Cc1ccc(C[C@H](N)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C ZINC000091720549 180237089 /nfs/dbraw/zinc/23/70/89/180237089.db2.gz PEILIJWRDLGPCX-IKGGRYGDSA-N 1 3 274.408 2.036 10 0 CEAEHO Cc1ccc(C[C@H](N)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1C ZINC000091720549 180237091 /nfs/dbraw/zinc/23/70/91/180237091.db2.gz PEILIJWRDLGPCX-IKGGRYGDSA-N 1 3 274.408 2.036 10 0 CEAEHO CCC[NH2+]C1CCC(N(C)CC(=O)N[C@H](C)C(C)C)CC1 ZINC000091870096 180277188 /nfs/dbraw/zinc/27/71/88/180277188.db2.gz DGWWFSFUNIJZAX-QQFBHYJXSA-N 1 3 297.487 2.390 10 0 CEAEHO CCNCc1nc(C)ccc1OCC[NH+](CC)CC ZINC000091994867 180300771 /nfs/dbraw/zinc/30/07/71/180300771.db2.gz OSWOTDDYJLQACA-UHFFFAOYSA-N 1 3 265.401 2.220 10 0 CEAEHO Cc1ccc(OCCN2CCCCC2)c(C[C@H](C)[NH3+])n1 ZINC000092000171 180303682 /nfs/dbraw/zinc/30/36/82/180303682.db2.gz CQYYDUGNFSTGQS-ZDUSSCGKSA-N 1 3 277.412 2.144 10 0 CEAEHO Cc1cccc(CN2CCC(C[NH2+]C3CC3)CC2)n1 ZINC000092430101 180384587 /nfs/dbraw/zinc/38/45/87/180384587.db2.gz DBDFTGQGYUJFBC-UHFFFAOYSA-N 1 3 259.397 2.354 10 0 CEAEHO Cc1nc(N2CC[C@@H](N(C)C)C2)sc1C[NH2+]CC(C)C ZINC000110275333 186289286 /nfs/dbraw/zinc/28/92/86/186289286.db2.gz CQXQESZWRIPIDN-CYBMUJFWSA-N 1 3 296.484 2.337 10 0 CEAEHO COc1cc2c(cc1F)nc(N)n2[C@@H]1C[NH+]2CCC1CC2 ZINC000110629271 186307161 /nfs/dbraw/zinc/30/71/61/186307161.db2.gz CMHCRUBJJZUHPK-CYBMUJFWSA-N 1 3 290.342 2.033 10 0 CEAEHO CCC[NH2+]Cc1ccoc1CN1CCN(C)C(C)(C)C1 ZINC000110921502 186332902 /nfs/dbraw/zinc/33/29/02/186332902.db2.gz HXEZUKMWUFETCN-UHFFFAOYSA-N 1 3 279.428 2.305 10 0 CEAEHO CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(OC)c(C)c2)CCN1C ZINC000110710108 186315259 /nfs/dbraw/zinc/31/52/59/186315259.db2.gz RXAGXXIJUPPLDH-CVEARBPZSA-N 1 3 291.439 2.029 10 0 CEAEHO C[C@@H]1CN(Cc2ccc(C[NH2+]C3CC3)cc2)CCN1C ZINC000110751281 186320964 /nfs/dbraw/zinc/32/09/64/186320964.db2.gz ITXUMSYPIWCJGF-CQSZACIVSA-N 1 3 273.424 2.075 10 0 CEAEHO C[N@@H+]1CCC[C@H]1CCOc1ccc(F)cc1CN ZINC000111028556 186346302 /nfs/dbraw/zinc/34/63/02/186346302.db2.gz KVSMCZJIJAAZMR-ZDUSSCGKSA-N 1 3 252.333 2.148 10 0 CEAEHO C[N@H+]1CCC[C@H]1CCOc1ccc(F)cc1CN ZINC000111028556 186346304 /nfs/dbraw/zinc/34/63/04/186346304.db2.gz KVSMCZJIJAAZMR-ZDUSSCGKSA-N 1 3 252.333 2.148 10 0 CEAEHO CCCNCc1nc(CN(C)CCC[NH+](C)C)cs1 ZINC000111150160 186360936 /nfs/dbraw/zinc/36/09/36/186360936.db2.gz GCRMVFXGFUOCNH-UHFFFAOYSA-N 1 3 284.473 2.026 10 0 CEAEHO C[C@@H]1CC(C)(C)C[C@@](CN)([N@H+](C)CCCN(C)C)C1 ZINC000111133336 186355817 /nfs/dbraw/zinc/35/58/17/186355817.db2.gz UBPXFSCPQRKCMU-ZBFHGGJFSA-N 1 3 269.477 2.414 10 0 CEAEHO C[C@@H]1CC(C)(C)C[C@@](CN)([N@@H+](C)CCCN(C)C)C1 ZINC000111133336 186355818 /nfs/dbraw/zinc/35/58/18/186355818.db2.gz UBPXFSCPQRKCMU-ZBFHGGJFSA-N 1 3 269.477 2.414 10 0 CEAEHO CC[C@H]([NH3+])[C@H](c1ccccc1C)N(C)CCN(C)C ZINC000111129657 186355874 /nfs/dbraw/zinc/35/58/74/186355874.db2.gz PPMHYAGZSNTEGG-HOTGVXAUSA-N 1 3 263.429 2.267 10 0 CEAEHO C[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N(C)CCN(C)C ZINC000111130199 186356658 /nfs/dbraw/zinc/35/66/58/186356658.db2.gz ZFUBLZJLNGASBA-BXUZGUMPSA-N 1 3 269.820 2.222 10 0 CEAEHO CC[NH2+][C@H](c1ccccc1)[C@@H](C)N(C)CCN(C)C ZINC000111135472 186357757 /nfs/dbraw/zinc/35/77/57/186357757.db2.gz DLQIBUCPECAJGO-ZBFHGGJFSA-N 1 3 263.429 2.219 10 0 CEAEHO CCN[C@H](CN(C)CC[NH+](C)C)c1ccccc1OCC ZINC000111134783 186357763 /nfs/dbraw/zinc/35/77/63/186357763.db2.gz HOYLRSFCDRBXBH-MRXNPFEDSA-N 1 3 293.455 2.229 10 0 CEAEHO CC[NH2+][C@@H](CCN(C)CCN(C)C)c1ccccc1 ZINC000111146913 186358360 /nfs/dbraw/zinc/35/83/60/186358360.db2.gz BDXPTJQCJAUMEX-INIZCTEOSA-N 1 3 263.429 2.221 10 0 CEAEHO CC(C)[NH2+]C[C@H](c1ccccc1)N(C)CCN(C)C ZINC000111149519 186358579 /nfs/dbraw/zinc/35/85/79/186358579.db2.gz HFKLDXXAAOFSCZ-MRXNPFEDSA-N 1 3 263.429 2.219 10 0 CEAEHO CN(C)CCN(C)CC[C@H]([NH3+])c1ccccc1Cl ZINC000111147400 186359492 /nfs/dbraw/zinc/35/94/92/186359492.db2.gz UVJZRMIFXRNFBD-AWEZNQCLSA-N 1 3 269.820 2.223 10 0 CEAEHO CC[NH2+]Cc1cc2ccccc2c(N(C)CCN(C)C)n1 ZINC000111149038 186359647 /nfs/dbraw/zinc/35/96/47/186359647.db2.gz RFYYMSCPRBOBLE-UHFFFAOYSA-N 1 3 286.423 2.342 10 0 CEAEHO C[N@H+](C[C@H]1CCCOC1)C[C@@H]1CCCCC[C@@H]1N ZINC000111171776 186364730 /nfs/dbraw/zinc/36/47/30/186364730.db2.gz NKSSGKCLGUEIKG-ILXRZTDVSA-N 1 3 254.418 2.252 10 0 CEAEHO C[N@@H+](C[C@H]1CCCOC1)C[C@@H]1CCCCC[C@@H]1N ZINC000111171776 186364731 /nfs/dbraw/zinc/36/47/31/186364731.db2.gz NKSSGKCLGUEIKG-ILXRZTDVSA-N 1 3 254.418 2.252 10 0 CEAEHO CNC[C@@]1(C[NH+]2CCCCCCC2)CCCOC1 ZINC000111324479 186398602 /nfs/dbraw/zinc/39/86/02/186398602.db2.gz CAVUKCVQASQPKF-OAHLLOKOSA-N 1 3 254.418 2.269 10 0 CEAEHO CCC[NH2+][C@@H](C)C1CCN([C@H](C)C(=O)N[C@@H](C)CC)CC1 ZINC000111709573 186449073 /nfs/dbraw/zinc/44/90/73/186449073.db2.gz UNZLLSNPZQQXKR-SOUVJXGZSA-N 1 3 297.487 2.390 10 0 CEAEHO CN(Cc1ccnc(Br)c1)CC1CC[NH2+]CC1 ZINC000095071336 364331163 /nfs/dbraw/zinc/33/11/63/364331163.db2.gz DSRVOHKGOUQHBK-UHFFFAOYSA-N 1 3 298.228 2.276 10 0 CEAEHO CCOc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261588180 371664288 /nfs/dbraw/zinc/66/42/88/371664288.db2.gz KAWQKENHNMRJPA-NUEKZKHPSA-N 1 3 260.381 2.254 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(-n4cccn4)cc3)C[C@@H]12 ZINC000261601253 371672733 /nfs/dbraw/zinc/67/27/33/371672733.db2.gz BSCSHSJNURZPPY-DJIMGWMZSA-N 1 3 282.391 2.041 10 0 CEAEHO Cc1ccc(C)c(OCCN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261705943 371707080 /nfs/dbraw/zinc/70/70/80/371707080.db2.gz IYYWYKYXPCFQIV-HRCADAONSA-N 1 3 274.408 2.351 10 0 CEAEHO CCC[C@@H](C(=O)NCc1cccc(C[NH+](C)C)c1)N(C)C ZINC000134483668 220209611 /nfs/dbraw/zinc/20/96/11/220209611.db2.gz NCSAVKHYUXSMJM-INIZCTEOSA-N 1 3 291.439 2.095 10 0 CEAEHO C[NH2+][C@H]1[C@@H](N2CCN(C(C)(C)C)CC2)CCC1(C)C ZINC000094304620 184777903 /nfs/dbraw/zinc/77/79/03/184777903.db2.gz NIXVJWNCTVCGDJ-KBPBESRZSA-N 1 3 267.461 2.179 10 0 CEAEHO C[C@H]([NH3+])Cc1cc(F)ccc1N1CCN2CCCC[C@@H]2C1 ZINC000094444548 135089080 /nfs/dbraw/zinc/08/90/80/135089080.db2.gz OTGLWJMBUGMPGN-XJKSGUPXSA-N 1 3 291.414 2.390 10 0 CEAEHO C[C@H]1CN2CCCC[C@@H]2CN1c1ccccc1CC[NH3+] ZINC000094444594 135089096 /nfs/dbraw/zinc/08/90/96/135089096.db2.gz TYBDXCPPGPJQLH-GOEBONIOSA-N 1 3 273.424 2.251 10 0 CEAEHO CC(C)[N@@H+]1C[C@H](N[C@H](C)CC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246135026 394509481 /nfs/dbraw/zinc/50/94/81/394509481.db2.gz AGYHKWFBOPPCNZ-MJBXVCDLSA-N 1 3 284.444 2.425 10 0 CEAEHO CC(C)[N@H+]1C[C@H](N[C@H](C)CC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246135026 394509482 /nfs/dbraw/zinc/50/94/82/394509482.db2.gz AGYHKWFBOPPCNZ-MJBXVCDLSA-N 1 3 284.444 2.425 10 0 CEAEHO C[C@@H]1CN([C@@H]2CCCc3cccnc32)C[C@@]1(C)C[NH3+] ZINC000382434053 395182205 /nfs/dbraw/zinc/18/22/05/395182205.db2.gz MPNZLIDQMXPDCO-XNRPHZJLSA-N 1 3 259.397 2.376 10 0 CEAEHO C[C@@H]1C[N@@H+]([C@@H]2CCCc3cccnc32)C[C@@]1(C)CN ZINC000382434053 395182207 /nfs/dbraw/zinc/18/22/07/395182207.db2.gz MPNZLIDQMXPDCO-XNRPHZJLSA-N 1 3 259.397 2.376 10 0 CEAEHO C[C@@H]1C[N@H+]([C@@H]2CCCc3cccnc32)C[C@@]1(C)CN ZINC000382434053 395182209 /nfs/dbraw/zinc/18/22/09/395182209.db2.gz MPNZLIDQMXPDCO-XNRPHZJLSA-N 1 3 259.397 2.376 10 0 CEAEHO O[C@@H]1CCC[C@@H](C[NH+]2CCC(N3CCCCC3)CC2)C1 ZINC000383358405 395185996 /nfs/dbraw/zinc/18/59/96/395185996.db2.gz DGMRTFVEGUSYAA-NVXWUHKLSA-N 1 3 280.456 2.488 10 0 CEAEHO CC1(c2ccccc2)CCC(NC[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263263052 154044262 /nfs/dbraw/zinc/04/42/62/154044262.db2.gz REXYOWYEQXLPJA-CCGTUFIJSA-N 1 3 288.435 2.057 10 0 CEAEHO CC1(c2ccccc2)CCC([NH2+]C[C@H]2CNC[C@H]2O)CC1 ZINC000263263052 154044265 /nfs/dbraw/zinc/04/42/65/154044265.db2.gz REXYOWYEQXLPJA-CCGTUFIJSA-N 1 3 288.435 2.057 10 0 CEAEHO CCc1ccc([C@@H](C[NH3+])N2CCN(CC3CC3)CC2)cc1 ZINC000020179542 171044553 /nfs/dbraw/zinc/04/45/53/171044553.db2.gz OOKYUTPYTGTADY-GOSISDBHSA-N 1 3 287.451 2.276 10 0 CEAEHO CCN1CCC([NH2+][C@H](C)[C@H]2CCCN(CC)C2)CC1 ZINC000038098049 174112692 /nfs/dbraw/zinc/11/26/92/174112692.db2.gz RKFMIEFCFBFHFB-CABCVRRESA-N 1 3 267.461 2.181 10 0 CEAEHO CCOC1CC[NH+]([C@H]2CCCCC[C@H]2CN)CC1 ZINC000040678501 174374924 /nfs/dbraw/zinc/37/49/24/174374924.db2.gz JMXXDVZRDXMIGS-ZFWWWQNUSA-N 1 3 254.418 2.395 10 0 CEAEHO CC(C)CN(CCN(C)C)[C@H](C[NH3+])c1cccc(F)c1 ZINC000042744894 174864287 /nfs/dbraw/zinc/86/42/87/174864287.db2.gz AFNMVCZNUIZHFT-MRXNPFEDSA-N 1 3 281.419 2.345 10 0 CEAEHO CCCN1CCN([C@@H](C[NH3+])c2cccc(C)c2C)CC1 ZINC000043314469 175003920 /nfs/dbraw/zinc/00/39/20/175003920.db2.gz QIKZNYKPZGIHQV-KRWDZBQOSA-N 1 3 275.440 2.331 10 0 CEAEHO Cc1cccc([C@@H](CN)N2CCC([NH+](C)C)CC2)c1C ZINC000043314686 175004374 /nfs/dbraw/zinc/00/43/74/175004374.db2.gz XBTPLFNOLGXLHX-QGZVFWFLSA-N 1 3 275.440 2.329 10 0 CEAEHO CCC[NH2+][C@@H](CN1CCN(CCC)CC1)C(C)(C)C ZINC000043805609 175107461 /nfs/dbraw/zinc/10/74/61/175107461.db2.gz GBOFXNYBLZIZLT-HNNXBMFYSA-N 1 3 269.477 2.428 10 0 CEAEHO CC[NH2+][C@H]1c2ccccc2C[C@@H]1N(C)C1CCN(C)CC1 ZINC000043815349 175112567 /nfs/dbraw/zinc/11/25/67/175112567.db2.gz ASIDSLZKTLAGCK-ROUUACIJSA-N 1 3 287.451 2.288 10 0 CEAEHO CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CCCN(C)CC1 ZINC000043818521 175113228 /nfs/dbraw/zinc/11/32/28/175113228.db2.gz VNROVPZVNPUKOT-PMPSAXMXSA-N 1 3 267.461 2.181 10 0 CEAEHO CCCN1CCC(CN)([N@H+](C)CC(C)(C)C)CC1 ZINC000045070645 175301235 /nfs/dbraw/zinc/30/12/35/175301235.db2.gz OCDQXPJOPGSDHY-UHFFFAOYSA-N 1 3 255.450 2.168 10 0 CEAEHO CCCN1CCC(CN)([N@@H+](C)CC(C)(C)C)CC1 ZINC000045070645 175301236 /nfs/dbraw/zinc/30/12/36/175301236.db2.gz OCDQXPJOPGSDHY-UHFFFAOYSA-N 1 3 255.450 2.168 10 0 CEAEHO C[N@H+](CCCC[C@](C)(NC1CC1)C(N)=O)C1CCCC1 ZINC000045384758 175372495 /nfs/dbraw/zinc/37/24/95/175372495.db2.gz NIQTXPJRSNADGU-INIZCTEOSA-N 1 3 281.444 2.027 10 0 CEAEHO C[N@@H+](CCCC[C@](C)(NC1CC1)C(N)=O)C1CCCC1 ZINC000045384758 175372497 /nfs/dbraw/zinc/37/24/97/175372497.db2.gz NIQTXPJRSNADGU-INIZCTEOSA-N 1 3 281.444 2.027 10 0 CEAEHO CC[NH+](CC)CCC[C@@H](C)N1CCC[C@H](NC2CC2)C1=O ZINC000071038104 176026636 /nfs/dbraw/zinc/02/66/36/176026636.db2.gz ATOKZROJTGIASE-ZBFHGGJFSA-N 1 3 295.471 2.240 10 0 CEAEHO [NH3+]CCC1CCN(C[C@H]2OCCc3ccccc32)CC1 ZINC000071091560 176031815 /nfs/dbraw/zinc/03/18/15/176031815.db2.gz AAYAHVCXUIUNBZ-QGZVFWFLSA-N 1 3 274.408 2.361 10 0 CEAEHO CC[C@H]1CCC[C@@](C[NH3+])(N2CCN(C(C)C)CC2)C1 ZINC000071123426 176034779 /nfs/dbraw/zinc/03/47/79/176034779.db2.gz YIILNGOWFABQQC-JKSUJKDBSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@H]1CCCC[C@]1(C[NH3+])N(CCOC)C1CC1 ZINC000071161895 176046221 /nfs/dbraw/zinc/04/62/21/176046221.db2.gz WCSGAWSWYLCRJB-DZGCQCFKSA-N 1 3 254.418 2.395 10 0 CEAEHO CN1CC[C@@H](C[N@H+](C)C2(CN)CCCCCCC2)C1 ZINC000071188561 176062507 /nfs/dbraw/zinc/06/25/07/176062507.db2.gz XCKWCHHIPJEWBS-OAHLLOKOSA-N 1 3 267.461 2.312 10 0 CEAEHO CN1CC[C@@H](C[N@@H+](C)C2(CN)CCCCCCC2)C1 ZINC000071188561 176062508 /nfs/dbraw/zinc/06/25/08/176062508.db2.gz XCKWCHHIPJEWBS-OAHLLOKOSA-N 1 3 267.461 2.312 10 0 CEAEHO CN(C[C@H]1CC[N@H+](C)C1)[C@@H](CN)c1ccc(Cl)c(F)c1 ZINC000071188452 176062711 /nfs/dbraw/zinc/06/27/11/176062711.db2.gz ILURUCSGTVNLHA-NHYWBVRUSA-N 1 3 299.821 2.362 10 0 CEAEHO CN(C[C@H]1CC[N@@H+](C)C1)[C@@H](CN)c1ccc(Cl)c(F)c1 ZINC000071188452 176062712 /nfs/dbraw/zinc/06/27/12/176062712.db2.gz ILURUCSGTVNLHA-NHYWBVRUSA-N 1 3 299.821 2.362 10 0 CEAEHO Cc1ccc(C)c([C@H](N)CN(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071188748 176063607 /nfs/dbraw/zinc/06/36/07/176063607.db2.gz WKODBTBTILBNJR-NVXWUHKLSA-N 1 3 275.440 2.187 10 0 CEAEHO Cc1ccc(C)c([C@H](N)CN(C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000071188748 176063608 /nfs/dbraw/zinc/06/36/08/176063608.db2.gz WKODBTBTILBNJR-NVXWUHKLSA-N 1 3 275.440 2.187 10 0 CEAEHO C[C@H](N)c1c(F)cccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189394 176064878 /nfs/dbraw/zinc/06/48/78/176064878.db2.gz WPIBIPGHDGOWEY-NWDGAFQWSA-N 1 3 265.376 2.233 10 0 CEAEHO C[C@H](N)c1c(F)cccc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189394 176064879 /nfs/dbraw/zinc/06/48/79/176064879.db2.gz WPIBIPGHDGOWEY-NWDGAFQWSA-N 1 3 265.376 2.233 10 0 CEAEHO Cc1oc(CN(C)C[C@@H]2CC[N@H+](C)C2)cc1CNC1CC1 ZINC000071191950 176071012 /nfs/dbraw/zinc/07/10/12/176071012.db2.gz KHJQIAVTNZWMEK-CQSZACIVSA-N 1 3 291.439 2.224 10 0 CEAEHO Cc1oc(CN(C)C[C@@H]2CC[N@@H+](C)C2)cc1CNC1CC1 ZINC000071191950 176071013 /nfs/dbraw/zinc/07/10/13/176071013.db2.gz KHJQIAVTNZWMEK-CQSZACIVSA-N 1 3 291.439 2.224 10 0 CEAEHO CCNCc1cc(CN(C)C[C@@H]2CC[N@H+](C)C2)c(C)o1 ZINC000071192070 176073624 /nfs/dbraw/zinc/07/36/24/176073624.db2.gz SOWGAQMXSUDHPZ-CQSZACIVSA-N 1 3 279.428 2.081 10 0 CEAEHO CCNCc1cc(CN(C)C[C@@H]2CC[N@@H+](C)C2)c(C)o1 ZINC000071192070 176073626 /nfs/dbraw/zinc/07/36/26/176073626.db2.gz SOWGAQMXSUDHPZ-CQSZACIVSA-N 1 3 279.428 2.081 10 0 CEAEHO CN(Cc1ccc(F)cc1C[NH3+])[C@H]1CCSC1 ZINC000071250315 176094814 /nfs/dbraw/zinc/09/48/14/176094814.db2.gz ZCKXUBLTAOMLED-ZDUSSCGKSA-N 1 3 254.374 2.222 10 0 CEAEHO CN(C)CCOc1ccc(CC[NH3+])cc1C(F)(F)F ZINC000071399566 176152165 /nfs/dbraw/zinc/15/21/65/176152165.db2.gz DSXPDNQPSAISLY-UHFFFAOYSA-N 1 3 276.302 2.147 10 0 CEAEHO COc1ccc(CN(C)C)cc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000136334273 419444147 /nfs/dbraw/zinc/44/41/47/419444147.db2.gz OWZYJQPNJVOTQL-ZDUSSCGKSA-N 1 3 293.411 2.069 10 0 CEAEHO OCC[C@@H]([NH2+][C@H]1CCCNCC1)C1CCCCC1 ZINC000423007354 270818862 /nfs/dbraw/zinc/81/88/62/270818862.db2.gz QKOYJDDGNVPYMV-LSDHHAIUSA-N 1 3 254.418 2.049 10 0 CEAEHO CCC[NH2+]CC1(CN(CC)[C@H](C)COC)CCOCC1 ZINC000052182332 519909323 /nfs/dbraw/zinc/90/93/23/519909323.db2.gz QSEHKMRFHVVPBT-OAHLLOKOSA-N 1 3 286.460 2.140 10 0 CEAEHO CC[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2ccccc2)O1 ZINC000052417529 519977266 /nfs/dbraw/zinc/97/72/66/519977266.db2.gz XVANIWHLFFYMTB-CVEARBPZSA-N 1 3 262.397 2.276 10 0 CEAEHO CCC[NH2+][C@@H](C)CCN1CCN(CC(C)C)CC1 ZINC000055079402 519986953 /nfs/dbraw/zinc/98/69/53/519986953.db2.gz RRNPASPOMLBFFR-HNNXBMFYSA-N 1 3 255.450 2.038 10 0 CEAEHO CCC(C)(C)N(C)CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000069429366 521302332 /nfs/dbraw/zinc/30/23/32/521302332.db2.gz OBTMDNPRNKGBDZ-UHFFFAOYSA-N 1 3 263.385 2.204 10 0 CEAEHO C[NH2+]Cc1cc(CN2CCN(C(C)(C)C)CC2)oc1C ZINC000052571619 522107038 /nfs/dbraw/zinc/10/70/38/522107038.db2.gz APPYWKJGZNBOST-UHFFFAOYSA-N 1 3 279.428 2.224 10 0 CEAEHO CC(C)(C)[NH2+]CCCCN1CCN(c2ccccn2)CC1 ZINC000052418539 518755821 /nfs/dbraw/zinc/75/58/21/518755821.db2.gz FRAYJYMTIRHVQI-UHFFFAOYSA-N 1 3 290.455 2.372 10 0 CEAEHO CC(C)N1CCN(C[C@@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000052480009 519682354 /nfs/dbraw/zinc/68/23/54/519682354.db2.gz OZCBYQFDNFEKMA-AWEZNQCLSA-N 1 3 255.450 2.037 10 0 CEAEHO CC(C)[NH2+]C[C@H](C(C)C)N1CCN(C(C)(C)C)CC1 ZINC000052571555 519724446 /nfs/dbraw/zinc/72/44/46/519724446.db2.gz RPLWSXDXBDWKLB-OAHLLOKOSA-N 1 3 269.477 2.425 10 0 CEAEHO CC(C)[NH2+]C[C@H]1CC[C@@H](CN(C)C[C@@H]2CCCCO2)O1 ZINC000052507639 519725308 /nfs/dbraw/zinc/72/53/08/519725308.db2.gz TYVYZWKKNWFRKT-PMPSAXMXSA-N 1 3 284.444 2.033 10 0 CEAEHO CC(C)CN1CCN([C@@H](C[NH3+])[C@H](C)c2ccccc2)CC1 ZINC000055078038 519727684 /nfs/dbraw/zinc/72/76/84/519727684.db2.gz RIQFCSWFXOTMAD-AEFFLSMTSA-N 1 3 289.467 2.391 10 0 CEAEHO CC(C)CN1CCN([C@H](C[NH2+]C(C)C)C(C)C)CC1 ZINC000055082976 519727833 /nfs/dbraw/zinc/72/78/33/519727833.db2.gz LAXLDUBUPCUVBS-MRXNPFEDSA-N 1 3 269.477 2.283 10 0 CEAEHO CC(C)C[NH2+]C[C@H](C(C)C)N(C)C1CCN(C)CC1 ZINC000052419756 519745585 /nfs/dbraw/zinc/74/55/85/519745585.db2.gz XUQVFZBCFTUFBQ-MRXNPFEDSA-N 1 3 269.477 2.283 10 0 CEAEHO CC(C)Oc1ccc([C@@H](N)CN2CC[C@H]([NH+](C)C)C2)cc1 ZINC000062964847 519781612 /nfs/dbraw/zinc/78/16/12/519781612.db2.gz SUTMGMCQTDFCMP-RDJZCZTQSA-N 1 3 291.439 2.110 10 0 CEAEHO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1CN2CCC1CC2 ZINC000054601376 519907805 /nfs/dbraw/zinc/90/78/05/519907805.db2.gz XFYREPLVDIAJGU-HQSKLWIPSA-N 1 3 291.483 2.466 10 0 CEAEHO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CCCN(C)C1 ZINC000054602481 519909546 /nfs/dbraw/zinc/90/95/46/519909546.db2.gz VFOFFVUPFUOWQZ-MGNMYUMUSA-N 1 3 279.472 2.323 10 0 CEAEHO CC[NH2+]CC(C)(C)CN1CCN([C@@H](C)CC)CC1 ZINC000055072121 519912027 /nfs/dbraw/zinc/91/20/27/519912027.db2.gz RSVBYKWYSKKPDW-AWEZNQCLSA-N 1 3 255.450 2.038 10 0 CEAEHO CCNCC1(C[N@H+](CCO)C2CCCCC2)CCOCC1 ZINC000052183193 519912536 /nfs/dbraw/zinc/91/25/36/519912536.db2.gz IGXOFARIAPTJIC-UHFFFAOYSA-N 1 3 298.471 2.020 10 0 CEAEHO CCNCC1(C[N@@H+](CCO)C2CCCCC2)CCOCC1 ZINC000052183193 519912540 /nfs/dbraw/zinc/91/25/40/519912540.db2.gz IGXOFARIAPTJIC-UHFFFAOYSA-N 1 3 298.471 2.020 10 0 CEAEHO CC[NH2+]CC1(CN(CCO)C2CCCCC2)CCOCC1 ZINC000052183193 519912543 /nfs/dbraw/zinc/91/25/43/519912543.db2.gz IGXOFARIAPTJIC-UHFFFAOYSA-N 1 3 298.471 2.020 10 0 CEAEHO CCNCC1(C[N@@H+]2CCC[C@@H]2CC)CCOCC1 ZINC000052180405 519913004 /nfs/dbraw/zinc/91/30/04/519913004.db2.gz AKUMMWIHVYKJSX-AWEZNQCLSA-N 1 3 254.418 2.267 10 0 CEAEHO CCNCC1(C[N@H+]2CCC[C@@H]2CC)CCOCC1 ZINC000052180405 519913007 /nfs/dbraw/zinc/91/30/07/519913007.db2.gz AKUMMWIHVYKJSX-AWEZNQCLSA-N 1 3 254.418 2.267 10 0 CEAEHO CC[NH2+]CCC[C@H](C)N1CCN(CC(C)C)CC1 ZINC000055082916 519920133 /nfs/dbraw/zinc/92/01/33/519920133.db2.gz OQOJYQGGSIAUDJ-HNNXBMFYSA-N 1 3 255.450 2.038 10 0 CEAEHO CC[NH2+]C[C@H]1CC[C@H](CN(C)Cc2ccccc2)O1 ZINC000052417527 519978959 /nfs/dbraw/zinc/97/89/59/519978959.db2.gz XVANIWHLFFYMTB-HZPDHXFCSA-N 1 3 262.397 2.276 10 0 CEAEHO CC[NH2+]Cc1cccc(CN2CCN(C(C)C)CC2)c1 ZINC000052480015 520004894 /nfs/dbraw/zinc/00/48/94/520004894.db2.gz DAESOHVCMXYIMY-UHFFFAOYSA-N 1 3 275.440 2.322 10 0 CEAEHO CC[NH2+][C@@H](C)CC(=O)Nc1cc(CN(C)C)ccc1OC ZINC000061270504 520068410 /nfs/dbraw/zinc/06/84/10/520068410.db2.gz ZTESHGGVZZGDLC-LBPRGKRZSA-N 1 3 293.411 2.083 10 0 CEAEHO CC[NH2+][C@@H](CC)[C@H](C)N1CCN(CC(C)C)CC1 ZINC000055079130 520081797 /nfs/dbraw/zinc/08/17/97/520081797.db2.gz IUARQHIMRJALOA-GJZGRUSLSA-N 1 3 255.450 2.037 10 0 CEAEHO CCO[C@H](CN)C[N@@H+](CC)Cc1ccccc1C ZINC000062739590 520517464 /nfs/dbraw/zinc/51/74/64/520517464.db2.gz DWGNQDHLFGMYGO-OAHLLOKOSA-N 1 3 250.386 2.181 10 0 CEAEHO CCO[C@H](CN)C[N@H+](CC)Cc1ccccc1C ZINC000062739590 520517457 /nfs/dbraw/zinc/51/74/57/520517457.db2.gz DWGNQDHLFGMYGO-OAHLLOKOSA-N 1 3 250.386 2.181 10 0 CEAEHO CC[NH+](CC)CCOc1ccc2c(c1)OC[C@@H]2NC ZINC000062804511 520699382 /nfs/dbraw/zinc/69/93/82/520699382.db2.gz JPBYBXOXDIPXMB-AWEZNQCLSA-N 1 3 264.369 2.060 10 0 CEAEHO CCC[C@@H]1C[N@H+](CCn2ccnc2C)[C@H](C(C)C)CN1 ZINC000068700698 520838577 /nfs/dbraw/zinc/83/85/77/520838577.db2.gz VLNLJEFRFIANQM-CVEARBPZSA-N 1 3 278.444 2.290 10 0 CEAEHO CCC[C@@H]1C[N@@H+](CCn2ccnc2C)[C@H](C(C)C)CN1 ZINC000068700698 520838587 /nfs/dbraw/zinc/83/85/87/520838587.db2.gz VLNLJEFRFIANQM-CVEARBPZSA-N 1 3 278.444 2.290 10 0 CEAEHO CCC[C@H](CN1CCN(CC(C)C)CC1)[NH2+]CC ZINC000055078656 521099415 /nfs/dbraw/zinc/09/94/15/521099415.db2.gz BYFBJTKHEJXATG-OAHLLOKOSA-N 1 3 255.450 2.038 10 0 CEAEHO CCC(C)(C)[N@H+](C)C[C@@]1(CNC2CC2)CCOC1 ZINC000069443609 521304864 /nfs/dbraw/zinc/30/48/64/521304864.db2.gz BKYPRNWGBKNMAQ-HNNXBMFYSA-N 1 3 254.418 2.266 10 0 CEAEHO CCC(C)(C)[N@@H+](C)C[C@@]1(CNC2CC2)CCOC1 ZINC000069443609 521304873 /nfs/dbraw/zinc/30/48/73/521304873.db2.gz BKYPRNWGBKNMAQ-HNNXBMFYSA-N 1 3 254.418 2.266 10 0 CEAEHO C[NH+](C)C[C@H]1CCCN1Cc1ccoc1CNC1CC1 ZINC000061654417 521870407 /nfs/dbraw/zinc/87/04/07/521870407.db2.gz GWTORLAVAKWSLD-OAHLLOKOSA-N 1 3 277.412 2.058 10 0 CEAEHO CC[C@@H](C)N1CCN(CCC[NH2+]C2CCCC2)CC1 ZINC000055074999 522119780 /nfs/dbraw/zinc/11/97/80/522119780.db2.gz SHXZPIGAWYBECI-OAHLLOKOSA-N 1 3 267.461 2.325 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C[NH3+])c2ccccc2C)CC1 ZINC000055064087 522130396 /nfs/dbraw/zinc/13/03/96/522130396.db2.gz LBBVFGQRRLFVOF-NVXWUHKLSA-N 1 3 275.440 2.411 10 0 CEAEHO C[N@H+](CCOc1ccccc1CNC1CC1)C1CC1 ZINC000052445370 522919991 /nfs/dbraw/zinc/91/99/91/522919991.db2.gz RYQVUFTVLKOWGN-UHFFFAOYSA-N 1 3 260.381 2.412 10 0 CEAEHO C[N@@H+](CCOc1ccccc1CNC1CC1)C1CC1 ZINC000052445370 522919997 /nfs/dbraw/zinc/91/99/97/522919997.db2.gz RYQVUFTVLKOWGN-UHFFFAOYSA-N 1 3 260.381 2.412 10 0 CEAEHO CC[C@@H]1CO[C@@H](C)CN1[C@@H](C)CCC[NH2+]C1CC1 ZINC000052571125 523507052 /nfs/dbraw/zinc/50/70/52/523507052.db2.gz QGXUDVXEZJGVOT-KCQAQPDRSA-N 1 3 254.418 2.406 10 0 CEAEHO CC[C@@H]1CO[C@H](C)CN1[C@@H](C)CCC[NH2+]C1CC1 ZINC000052571123 523516958 /nfs/dbraw/zinc/51/69/58/523516958.db2.gz QGXUDVXEZJGVOT-GZBFAFLISA-N 1 3 254.418 2.406 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C)CC[NH2+]C(C)C)CC1 ZINC000055074858 523958213 /nfs/dbraw/zinc/95/82/13/523958213.db2.gz COSMQQBCHYXYEI-GJZGRUSLSA-N 1 3 255.450 2.179 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000055072505 523954127 /nfs/dbraw/zinc/95/41/27/523954127.db2.gz YSQOFTTZKANLOX-JYJNAYRXSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C[NH3+])c2sccc2C)CC1 ZINC000055064038 523957793 /nfs/dbraw/zinc/95/77/93/523957793.db2.gz SDBKNVAAEVDFKH-KBPBESRZSA-N 1 3 281.469 2.472 10 0 CEAEHO CN(C)C1CC[NH+]([C@H](CC(N)=S)c2ccccc2)CC1 ZINC000055024738 524040762 /nfs/dbraw/zinc/04/07/62/524040762.db2.gz QZPDQVNQCOHQCP-OAHLLOKOSA-N 1 3 291.464 2.430 10 0 CEAEHO C[NH+](C)C1CCN(c2cc(Cl)ccc2CN)CC1 ZINC000062786843 524040899 /nfs/dbraw/zinc/04/08/99/524040899.db2.gz HHANDWYNUCUSTJ-UHFFFAOYSA-N 1 3 267.804 2.329 10 0 CEAEHO C[C@@H]1CCC[C@@H]([NH2+]CCN2CCC[C@@H]2CN(C)C)C1 ZINC000061655198 524317086 /nfs/dbraw/zinc/31/70/86/524317086.db2.gz ZXKDMKYONVGOPO-BZUAXINKSA-N 1 3 267.461 2.181 10 0 CEAEHO C[C@@H](CNC1=NC(C)(C)CS1)C[NH+]1CCCC1 ZINC000062080198 524734342 /nfs/dbraw/zinc/73/43/42/524734342.db2.gz SYGNFHYHUJPSFV-NSHDSACASA-N 1 3 255.431 2.189 10 0 CEAEHO Cc1cc(COCC[NH+](C)C)oc1CNC(C)C ZINC000052669982 524803926 /nfs/dbraw/zinc/80/39/26/524803926.db2.gz GHUCTVQEETUASV-UHFFFAOYSA-N 1 3 254.374 2.164 10 0 CEAEHO CCC[C@H]1CN[C@H](C2CC2)C[N@@H+]1CCn1ccnc1C ZINC000085523436 179088757 /nfs/dbraw/zinc/08/87/57/179088757.db2.gz XWTZZHQBEYXSOP-HOTGVXAUSA-N 1 3 276.428 2.044 10 0 CEAEHO CCC[C@H]1CN[C@H](C2CC2)C[N@H+]1CCn1ccnc1C ZINC000085523436 179088760 /nfs/dbraw/zinc/08/87/60/179088760.db2.gz XWTZZHQBEYXSOP-HOTGVXAUSA-N 1 3 276.428 2.044 10 0 CEAEHO C[C@@H]1CCN[C@@H](C2CC2)C[N@@H+]1CCCOCC(F)(F)F ZINC000085626730 179106609 /nfs/dbraw/zinc/10/66/09/179106609.db2.gz ONYIYUGTBSCRGM-DGCLKSJQSA-N 1 3 294.361 2.418 10 0 CEAEHO C[C@@H]1CCN[C@@H](C2CC2)C[N@H+]1CCCOCC(F)(F)F ZINC000085626730 179106610 /nfs/dbraw/zinc/10/66/10/179106610.db2.gz ONYIYUGTBSCRGM-DGCLKSJQSA-N 1 3 294.361 2.418 10 0 CEAEHO C[C@@H]1CC[NH2+][C@@H](C2CC2)CN1CCCOCC(F)(F)F ZINC000085626730 179106611 /nfs/dbraw/zinc/10/66/11/179106611.db2.gz ONYIYUGTBSCRGM-DGCLKSJQSA-N 1 3 294.361 2.418 10 0 CEAEHO COCCCN1C[C@@H](Cc2ccccc2)[NH2+]CC[C@@H]1C ZINC000085618753 179103573 /nfs/dbraw/zinc/10/35/73/179103573.db2.gz VPPGOTOLGVRJHN-DOTOQJQBSA-N 1 3 276.424 2.318 10 0 CEAEHO CCC1(CC)CN(CCn2ccnc2C)[C@H](C)CC[NH2+]1 ZINC000085627891 179107474 /nfs/dbraw/zinc/10/74/74/179107474.db2.gz DHOJNHJAWUHRAV-CQSZACIVSA-N 1 3 278.444 2.434 10 0 CEAEHO CCC1(CC)C[N@H+](CCn2ccnc2C)[C@H](C)CCN1 ZINC000085627891 179107475 /nfs/dbraw/zinc/10/74/75/179107475.db2.gz DHOJNHJAWUHRAV-CQSZACIVSA-N 1 3 278.444 2.434 10 0 CEAEHO CCC1(CC)C[N@@H+](CCn2ccnc2C)[C@H](C)CCN1 ZINC000085627891 179107476 /nfs/dbraw/zinc/10/74/76/179107476.db2.gz DHOJNHJAWUHRAV-CQSZACIVSA-N 1 3 278.444 2.434 10 0 CEAEHO CCN1CC[C@@H](C[N@@H+]2CC(C)(C)NC[C@@H]2C(C)C)C1 ZINC000086223023 179250639 /nfs/dbraw/zinc/25/06/39/179250639.db2.gz BJRDWAXKBJZAIU-HUUCEWRRSA-N 1 3 267.461 2.037 10 0 CEAEHO CCN1CC[C@@H](C[N@H+]2CC(C)(C)NC[C@@H]2C(C)C)C1 ZINC000086223023 179250640 /nfs/dbraw/zinc/25/06/40/179250640.db2.gz BJRDWAXKBJZAIU-HUUCEWRRSA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCN(CC)C1 ZINC000086223012 179250800 /nfs/dbraw/zinc/25/08/00/179250800.db2.gz AWFHLZPDJFJBRU-OAGGEKHMSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@@H]1CN[C@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCN(CC)C1 ZINC000086223012 179250804 /nfs/dbraw/zinc/25/08/04/179250804.db2.gz AWFHLZPDJFJBRU-OAGGEKHMSA-N 1 3 281.488 2.427 10 0 CEAEHO C[C@H]1CN[C@](C)(c2ccccc2)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223149 179252140 /nfs/dbraw/zinc/25/21/40/179252140.db2.gz NBFPUDZFMMRNHI-JZXOWHBKSA-N 1 3 287.451 2.147 10 0 CEAEHO C[C@H]1CN[C@](C)(c2ccccc2)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223149 179252141 /nfs/dbraw/zinc/25/21/41/179252141.db2.gz NBFPUDZFMMRNHI-JZXOWHBKSA-N 1 3 287.451 2.147 10 0 CEAEHO CC[C@H]1CN[C@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223135 179252313 /nfs/dbraw/zinc/25/23/13/179252313.db2.gz OCPPGAMPWPXDEJ-NJAFHUGGSA-N 1 3 287.451 2.363 10 0 CEAEHO CC[C@H]1CN[C@H](c2ccccc2)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223135 179252314 /nfs/dbraw/zinc/25/23/14/179252314.db2.gz OCPPGAMPWPXDEJ-NJAFHUGGSA-N 1 3 287.451 2.363 10 0 CEAEHO CC(C)C[C@H]1C[N@H+]([C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086224009 179253145 /nfs/dbraw/zinc/25/31/45/179253145.db2.gz DPEHHATZXOFKMK-BBWFWOEESA-N 1 3 281.488 2.425 10 0 CEAEHO CC(C)C[C@H]1C[N@@H+]([C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086224009 179253146 /nfs/dbraw/zinc/25/31/46/179253146.db2.gz DPEHHATZXOFKMK-BBWFWOEESA-N 1 3 281.488 2.425 10 0 CEAEHO C[C@@H]1CN[C@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259197 179257706 /nfs/dbraw/zinc/25/77/06/179257706.db2.gz MSFHGSRIGSZLDM-NUJGCVRESA-N 1 3 287.451 2.363 10 0 CEAEHO C[C@@H]1CN[C@H](c2ccccc2)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259197 179257708 /nfs/dbraw/zinc/25/77/08/179257708.db2.gz MSFHGSRIGSZLDM-NUJGCVRESA-N 1 3 287.451 2.363 10 0 CEAEHO CC[C@@H]1CNC2(CCCC2)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259253 179258135 /nfs/dbraw/zinc/25/81/35/179258135.db2.gz HYNWJZRMDACYCO-HZPDHXFCSA-N 1 3 279.472 2.325 10 0 CEAEHO CC[C@@H]1CNC2(CCCC2)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259253 179258136 /nfs/dbraw/zinc/25/81/36/179258136.db2.gz HYNWJZRMDACYCO-HZPDHXFCSA-N 1 3 279.472 2.325 10 0 CEAEHO CC[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259589 179258309 /nfs/dbraw/zinc/25/83/09/179258309.db2.gz OVCHMINBZTYZQS-OIISXLGYSA-N 1 3 277.456 2.076 10 0 CEAEHO CC[C@@H]1CN[C@](C)(C2CC2)C[N@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259589 179258311 /nfs/dbraw/zinc/25/83/11/179258311.db2.gz OVCHMINBZTYZQS-OIISXLGYSA-N 1 3 277.456 2.076 10 0 CEAEHO CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259589 179258313 /nfs/dbraw/zinc/25/83/13/179258313.db2.gz OVCHMINBZTYZQS-OIISXLGYSA-N 1 3 277.456 2.076 10 0 CEAEHO CCC[C@H]1C[N@H+](CC2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086259124 179258795 /nfs/dbraw/zinc/25/87/95/179258795.db2.gz IGXKDZHOFUQRET-IRXDYDNUSA-N 1 3 281.488 2.427 10 0 CEAEHO CCC[C@H]1C[N@@H+](CC2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086259124 179258797 /nfs/dbraw/zinc/25/87/97/179258797.db2.gz IGXKDZHOFUQRET-IRXDYDNUSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@@H]1CNC2(CCCC2)C[N@@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259639 179259533 /nfs/dbraw/zinc/25/95/33/179259533.db2.gz KHRMSLAAGLMISC-GDBMZVCRSA-N 1 3 277.456 2.220 10 0 CEAEHO CC[C@@H]1CNC2(CCCC2)C[N@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259639 179259534 /nfs/dbraw/zinc/25/95/34/179259534.db2.gz KHRMSLAAGLMISC-GDBMZVCRSA-N 1 3 277.456 2.220 10 0 CEAEHO CC[C@@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259639 179259537 /nfs/dbraw/zinc/25/95/37/179259537.db2.gz KHRMSLAAGLMISC-GDBMZVCRSA-N 1 3 277.456 2.220 10 0 CEAEHO CN1CCC([N@@H+]2CCCN[C@H](C3CCCCC3)C2)CC1 ZINC000086286990 179264296 /nfs/dbraw/zinc/26/42/96/179264296.db2.gz ZTADPMZIIODPGX-KRWDZBQOSA-N 1 3 279.472 2.325 10 0 CEAEHO CN1CCC([N@H+]2CCCN[C@H](C3CCCCC3)C2)CC1 ZINC000086286990 179264297 /nfs/dbraw/zinc/26/42/97/179264297.db2.gz ZTADPMZIIODPGX-KRWDZBQOSA-N 1 3 279.472 2.325 10 0 CEAEHO CN1CCC(N2CCC[NH2+][C@H](C3CCCCC3)C2)CC1 ZINC000086286990 179264300 /nfs/dbraw/zinc/26/43/00/179264300.db2.gz ZTADPMZIIODPGX-KRWDZBQOSA-N 1 3 279.472 2.325 10 0 CEAEHO CCN1CCC[C@H]([N@@H+]2CCCNC(CC)(CC)C2)C1 ZINC000086289438 179264860 /nfs/dbraw/zinc/26/48/60/179264860.db2.gz QVWIEUAKANVSDK-HNNXBMFYSA-N 1 3 267.461 2.325 10 0 CEAEHO CCN1CCC[C@H]([N@H+]2CCCNC(CC)(CC)C2)C1 ZINC000086289438 179264862 /nfs/dbraw/zinc/26/48/62/179264862.db2.gz QVWIEUAKANVSDK-HNNXBMFYSA-N 1 3 267.461 2.325 10 0 CEAEHO CCN1CCC[C@H](N2CCC[NH2+]C(CC)(CC)C2)C1 ZINC000086289438 179264864 /nfs/dbraw/zinc/26/48/64/179264864.db2.gz QVWIEUAKANVSDK-HNNXBMFYSA-N 1 3 267.461 2.325 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H](NCc2cccc(Br)c2)C1 ZINC000086399733 179285321 /nfs/dbraw/zinc/28/53/21/179285321.db2.gz ROIKHTZIIOOGLB-VXGBXAGGSA-N 1 3 269.186 2.419 10 0 CEAEHO CN1CCC[C@](CN)([N@H+](C)C2CCCCC2)CC1 ZINC000086819220 179348665 /nfs/dbraw/zinc/34/86/65/179348665.db2.gz LDSOKWDZEOAZQV-HNNXBMFYSA-N 1 3 253.434 2.064 10 0 CEAEHO CN1CCC[C@](CN)([N@@H+](C)C2CCCCC2)CC1 ZINC000086819220 179348666 /nfs/dbraw/zinc/34/86/66/179348666.db2.gz LDSOKWDZEOAZQV-HNNXBMFYSA-N 1 3 253.434 2.064 10 0 CEAEHO CN(C)[C@@H](CN[C@@H]1CCC[N@H+](C)CC1)c1cccs1 ZINC000086817386 179344634 /nfs/dbraw/zinc/34/46/34/179344634.db2.gz BHEMYTGDGHUXKT-KGLIPLIRSA-N 1 3 281.469 2.425 10 0 CEAEHO CN(C)[C@@H](CN[C@@H]1CCC[N@@H+](C)CC1)c1cccs1 ZINC000086817386 179344636 /nfs/dbraw/zinc/34/46/36/179344636.db2.gz BHEMYTGDGHUXKT-KGLIPLIRSA-N 1 3 281.469 2.425 10 0 CEAEHO CN(C)[C@@H](C[NH2+][C@@H]1CCCN(C)CC1)c1cccs1 ZINC000086817386 179344638 /nfs/dbraw/zinc/34/46/38/179344638.db2.gz BHEMYTGDGHUXKT-KGLIPLIRSA-N 1 3 281.469 2.425 10 0 CEAEHO CCN1CCC[C@@](CN)([NH+]2CCCCCC2)CC1 ZINC000086846270 179354392 /nfs/dbraw/zinc/35/43/92/179354392.db2.gz MJSDICDNMCXQEN-OAHLLOKOSA-N 1 3 253.434 2.066 10 0 CEAEHO C[C@@H]1CCC[C@@](C[NH3+])(N2CCN(CC3CC3)CC2)CC1 ZINC000086891019 179366121 /nfs/dbraw/zinc/36/61/21/179366121.db2.gz CIWGJSGYWVMRLM-NVXWUHKLSA-N 1 3 279.472 2.312 10 0 CEAEHO CC(C)[C@H]1CCC[C@@](CO)(N2CCC[NH2+]CC2)CC1 ZINC000086952105 179368652 /nfs/dbraw/zinc/36/86/52/179368652.db2.gz QOQCCWMEXLJLRX-JKSUJKDBSA-N 1 3 268.445 2.249 10 0 CEAEHO CCC(O)(CC)C[NH2+][C@@H]1CCCN(C(C)C)CC1 ZINC000087015073 179379612 /nfs/dbraw/zinc/37/96/12/179379612.db2.gz HLIXJTHETJOICW-CQSZACIVSA-N 1 3 256.434 2.390 10 0 CEAEHO CCC(O)(CC)CN[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000087015073 179379615 /nfs/dbraw/zinc/37/96/15/179379615.db2.gz HLIXJTHETJOICW-CQSZACIVSA-N 1 3 256.434 2.390 10 0 CEAEHO CCC(O)(CC)CN[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000087015073 179379617 /nfs/dbraw/zinc/37/96/17/179379617.db2.gz HLIXJTHETJOICW-CQSZACIVSA-N 1 3 256.434 2.390 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[N@@H+]1CCC[C@@H]1C(C)C ZINC000090567280 180006291 /nfs/dbraw/zinc/00/62/91/180006291.db2.gz ZDCGFNRMMGYZMC-RRFJBIMHSA-N 1 3 254.418 2.121 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[N@H+]1CCC[C@@H]1C(C)C ZINC000090567280 180006292 /nfs/dbraw/zinc/00/62/92/180006292.db2.gz ZDCGFNRMMGYZMC-RRFJBIMHSA-N 1 3 254.418 2.121 10 0 CEAEHO C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCCNC1)[C@@H]1CCCO1 ZINC000090693901 180025925 /nfs/dbraw/zinc/02/59/25/180025925.db2.gz CWNDHUBMVZOLGA-QLFBSQMISA-N 1 3 252.402 2.020 10 0 CEAEHO C(C[N@H+]1CCC[C@@H]1[C@@H]1CCCNC1)[C@@H]1CCCO1 ZINC000090693901 180025928 /nfs/dbraw/zinc/02/59/28/180025928.db2.gz CWNDHUBMVZOLGA-QLFBSQMISA-N 1 3 252.402 2.020 10 0 CEAEHO CCCCOCCN1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693660 180026165 /nfs/dbraw/zinc/02/61/65/180026165.db2.gz KGHASBVWGGUYQR-HUUCEWRRSA-N 1 3 254.418 2.267 10 0 CEAEHO CC(C)[N@@H+]1CC[C@@H](CNC[C@@H]2Cc3ccccc3O2)C1 ZINC000090874509 180050389 /nfs/dbraw/zinc/05/03/89/180050389.db2.gz CJWQRBNLZXCPNZ-HOCLYGCPSA-N 1 3 274.408 2.310 10 0 CEAEHO CC(C)[N@H+]1CC[C@@H](CNC[C@@H]2Cc3ccccc3O2)C1 ZINC000090874509 180050391 /nfs/dbraw/zinc/05/03/91/180050391.db2.gz CJWQRBNLZXCPNZ-HOCLYGCPSA-N 1 3 274.408 2.310 10 0 CEAEHO CC(C)N1CC[C@@H](C[NH2+]C[C@@H]2Cc3ccccc3O2)C1 ZINC000090874509 180050393 /nfs/dbraw/zinc/05/03/93/180050393.db2.gz CJWQRBNLZXCPNZ-HOCLYGCPSA-N 1 3 274.408 2.310 10 0 CEAEHO CCC[C@H](C[NH3+])N1CCN(C[C@H]2Cc3ccccc32)CC1 ZINC000090976051 180078736 /nfs/dbraw/zinc/07/87/36/180078736.db2.gz AXYDWAVCCGOMTD-IAGOWNOFSA-N 1 3 287.451 2.071 10 0 CEAEHO [NH3+]CC[C@@H]1CCCCN1Cc1c[nH]c2ncccc12 ZINC000091019712 180087844 /nfs/dbraw/zinc/08/78/44/180087844.db2.gz ZIKCNQZROGGSMR-ZDUSSCGKSA-N 1 3 258.369 2.266 10 0 CEAEHO C[C@@H](c1ccccc1F)N(C)CC[C@@H]1C[NH2+]CCO1 ZINC000091314176 180133917 /nfs/dbraw/zinc/13/39/17/180133917.db2.gz TVPSCFTWIRVESS-QWHCGFSZSA-N 1 3 266.360 2.197 10 0 CEAEHO CC(C)[NH2+]Cc1cnn(CCN(C)C)c1C(C)C ZINC000091338592 180136219 /nfs/dbraw/zinc/13/62/19/180136219.db2.gz JXQFBHYJIMBMFG-UHFFFAOYSA-N 1 3 252.406 2.066 10 0 CEAEHO COc1ccc(C[N@H+](C)CC[C@H]2CSCCN2)cc1 ZINC000091292074 180123913 /nfs/dbraw/zinc/12/39/13/180123913.db2.gz OSXJVBOHGUSPJK-AWEZNQCLSA-N 1 3 280.437 2.222 10 0 CEAEHO COc1ccc(C[N@@H+](C)CC[C@H]2CSCCN2)cc1 ZINC000091292074 180123914 /nfs/dbraw/zinc/12/39/14/180123914.db2.gz OSXJVBOHGUSPJK-AWEZNQCLSA-N 1 3 280.437 2.222 10 0 CEAEHO C[NH+](C)[C@@H]1CCCN([C@@H]2CCCc3ccccc3[C@@H]2N)C1 ZINC000091391773 180145033 /nfs/dbraw/zinc/14/50/33/180145033.db2.gz VCIDAWMRGFOKNS-NXHRZFHOSA-N 1 3 287.451 2.417 10 0 CEAEHO C[C@H]([C@H](N)c1ccccc1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091393127 180145558 /nfs/dbraw/zinc/14/55/58/180145558.db2.gz BQTRMKFDPQVPKI-KBMXLJTQSA-N 1 3 261.413 2.101 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccccc2CN2CCCC2)C1 ZINC000091548161 180187963 /nfs/dbraw/zinc/18/79/63/180187963.db2.gz PPDDNKFXALDJLH-UKRRQHHQSA-N 1 3 287.407 2.348 10 0 CEAEHO CCC(CC)([C@H]([NH3+])Cc1cc(C)nn1C)N1CCCC1 ZINC000091634892 180211477 /nfs/dbraw/zinc/21/14/77/180211477.db2.gz WNEFSFBYTCCTJB-OAHLLOKOSA-N 1 3 278.444 2.253 10 0 CEAEHO CCN(CC)CC[C@H](Cc1csc(C)n1)[NH2+]C ZINC000091716177 180232268 /nfs/dbraw/zinc/23/22/68/180232268.db2.gz WQVDYNRJFFUBPY-GFCCVEGCSA-N 1 3 255.431 2.314 10 0 CEAEHO N[C@H](Cc1cccc(Cl)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720800 180235626 /nfs/dbraw/zinc/23/56/26/180235626.db2.gz ORPPNBCYXMVOLW-RBSFLKMASA-N 1 3 280.799 2.073 10 0 CEAEHO N[C@H](Cc1cccc(Cl)c1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720800 180235627 /nfs/dbraw/zinc/23/56/27/180235627.db2.gz ORPPNBCYXMVOLW-RBSFLKMASA-N 1 3 280.799 2.073 10 0 CEAEHO N[C@H](Cc1c(F)cccc1Cl)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720470 180236309 /nfs/dbraw/zinc/23/63/09/180236309.db2.gz ZWTVDZGFWTWMPB-KMUNFCNLSA-N 1 3 298.789 2.212 10 0 CEAEHO N[C@H](Cc1c(F)cccc1Cl)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720470 180236310 /nfs/dbraw/zinc/23/63/10/180236310.db2.gz ZWTVDZGFWTWMPB-KMUNFCNLSA-N 1 3 298.789 2.212 10 0 CEAEHO C[NH2+]C1CCC(N(C)CC(=O)Nc2ccc(F)cc2)CC1 ZINC000091870548 180277176 /nfs/dbraw/zinc/27/71/76/180277176.db2.gz YFPKNZWUALKWPE-UHFFFAOYSA-N 1 3 293.386 2.227 10 0 CEAEHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)c1 ZINC000092203688 180343451 /nfs/dbraw/zinc/34/34/51/180343451.db2.gz YUWRYHRQMXUJTJ-HUUCEWRRSA-N 1 3 287.407 2.370 10 0 CEAEHO C[C@@H](CNC[C@@H]1COc2ccccc21)C[NH+]1CCCC1 ZINC000092300892 180358748 /nfs/dbraw/zinc/35/87/48/180358748.db2.gz WFOOHCSVNCRPHA-LSDHHAIUSA-N 1 3 274.408 2.484 10 0 CEAEHO C[C@@H](C[NH2+]C[C@@H]1COc2ccccc21)CN1CCCC1 ZINC000092300892 180358749 /nfs/dbraw/zinc/35/87/49/180358749.db2.gz WFOOHCSVNCRPHA-LSDHHAIUSA-N 1 3 274.408 2.484 10 0 CEAEHO CC(C)[C@H]1CSC(NC[C@H]2CC[N@@H+](C(C)C)C2)=N1 ZINC000092402535 180378479 /nfs/dbraw/zinc/37/84/79/180378479.db2.gz XILXXOAOKYIWKW-CHWSQXEVSA-N 1 3 269.458 2.434 10 0 CEAEHO CC(C)[C@H]1CSC(NC[C@H]2CC[N@H+](C(C)C)C2)=N1 ZINC000092402535 180378480 /nfs/dbraw/zinc/37/84/80/180378480.db2.gz XILXXOAOKYIWKW-CHWSQXEVSA-N 1 3 269.458 2.434 10 0 CEAEHO CN1CC[C@@H](C[N@H+](C)Cc2cccc3c2NCC3)C1 ZINC000130557246 365968403 /nfs/dbraw/zinc/96/84/03/365968403.db2.gz LJCUXCSNIYUWJM-CYBMUJFWSA-N 1 3 259.397 2.038 10 0 CEAEHO CN1CC[C@@H](C[N@@H+](C)Cc2cccc3c2NCC3)C1 ZINC000130557246 365968407 /nfs/dbraw/zinc/96/84/07/365968407.db2.gz LJCUXCSNIYUWJM-CYBMUJFWSA-N 1 3 259.397 2.038 10 0 CEAEHO CCCN1CCN(CCC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000109412530 186251476 /nfs/dbraw/zinc/25/14/76/186251476.db2.gz SKZZDZIBAMKVLY-QGZVFWFLSA-N 1 3 275.440 2.494 10 0 CEAEHO [NH2+]=C(Nc1ccccc1)N1CC[C@H](N2CCCC2)C1 ZINC000110368914 186294246 /nfs/dbraw/zinc/29/42/46/186294246.db2.gz JELVDVUWXKPVCV-AWEZNQCLSA-N 1 3 258.369 2.203 10 0 CEAEHO CN([C@@H]1CCC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000110926422 186333263 /nfs/dbraw/zinc/33/32/63/186333263.db2.gz YYNBQKSWHOOWKA-QZTJIDSGSA-N 1 3 287.451 2.335 10 0 CEAEHO Cc1cccc([C@H](C[NH3+])N2CCN(C)C(C)(C)C2)c1 ZINC000110704716 186313954 /nfs/dbraw/zinc/31/39/54/186313954.db2.gz UQQQEDVDVVNXHW-HNNXBMFYSA-N 1 3 261.413 2.021 10 0 CEAEHO CN1CCN([C@@H]2CCCc3ccccc3[C@@H]2[NH3+])CC1(C)C ZINC000110716454 186316345 /nfs/dbraw/zinc/31/63/45/186316345.db2.gz IUCPEJFNJJBIFM-SJORKVTESA-N 1 3 287.451 2.417 10 0 CEAEHO CCC[NH2+]C[C@H](C(C)C)N1CCN(C)C(C)(C)C1 ZINC000110755118 186320996 /nfs/dbraw/zinc/32/09/96/186320996.db2.gz GVVDLJRRMFVHLG-CQSZACIVSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[C@@H]([NH3+])[C@@H](c1ccccc1C)N(C)CCN(C)C ZINC000111129654 186355831 /nfs/dbraw/zinc/35/58/31/186355831.db2.gz PPMHYAGZSNTEGG-HZPDHXFCSA-N 1 3 263.429 2.267 10 0 CEAEHO CC[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)N(C)CCN(C)C ZINC000111134966 186356961 /nfs/dbraw/zinc/35/69/61/186356961.db2.gz ZXLJLINZGCNVPX-YOEHRIQHSA-N 1 3 293.455 2.228 10 0 CEAEHO CC[NH2+][C@@H](CN(C)CCN(C)C)c1ccc(OCC)cc1 ZINC000111135289 186357430 /nfs/dbraw/zinc/35/74/30/186357430.db2.gz OVXGPWYFIXYMPU-KRWDZBQOSA-N 1 3 293.455 2.229 10 0 CEAEHO CC[NH2+][C@@H]1CCCCCC[C@@H]1N(C)CCN(C)C ZINC000111135479 186357532 /nfs/dbraw/zinc/35/75/32/186357532.db2.gz DKURWPHEWYPGDV-CABCVRRESA-N 1 3 255.450 2.181 10 0 CEAEHO CCC[NH2+][C@@H](CCC)[C@@H](CC)N(C)CCN(C)C ZINC000111135347 186357982 /nfs/dbraw/zinc/35/79/82/186357982.db2.gz STBXVBIPPHDZEL-LSDHHAIUSA-N 1 3 257.466 2.427 10 0 CEAEHO CN(CCC[NH+](C)C)c1ncc(CNC2CC2)cc1Cl ZINC000111149340 186358702 /nfs/dbraw/zinc/35/87/02/186358702.db2.gz NSGVBWLIEZGIDJ-UHFFFAOYSA-N 1 3 296.846 2.375 10 0 CEAEHO CCC[NH2+][C@@H]1CCCC[C@H]1CN(C)CCN(C)C ZINC000111147387 186359265 /nfs/dbraw/zinc/35/92/65/186359265.db2.gz ZWBHOZSRHJAJJS-LSDHHAIUSA-N 1 3 255.450 2.038 10 0 CEAEHO CN(CC1CCOCC1)C[C@]1(C[NH2+]C(C)(C)C)CCOC1 ZINC000111172949 186365409 /nfs/dbraw/zinc/36/54/09/186365409.db2.gz LGFBHUMQOOZZIY-QGZVFWFLSA-N 1 3 298.471 2.140 10 0 CEAEHO C[N@@H+](Cc1ccoc1CNC1CC1)CC1CCOCC1 ZINC000111175659 186365633 /nfs/dbraw/zinc/36/56/33/186365633.db2.gz ZYCYVBFWLHEAOQ-UHFFFAOYSA-N 1 3 278.396 2.390 10 0 CEAEHO C[N@H+](Cc1ccoc1CNC1CC1)CC1CCOCC1 ZINC000111175659 186365635 /nfs/dbraw/zinc/36/56/35/186365635.db2.gz ZYCYVBFWLHEAOQ-UHFFFAOYSA-N 1 3 278.396 2.390 10 0 CEAEHO C[N@H+](C[C@@]1(CNC2CC2)CCCOC1)C1CCCC1 ZINC000111324828 186398690 /nfs/dbraw/zinc/39/86/90/186398690.db2.gz XRCXOECNCFCOTE-INIZCTEOSA-N 1 3 266.429 2.410 10 0 CEAEHO C[N@@H+](C[C@@]1(CNC2CC2)CCCOC1)C1CCCC1 ZINC000111324828 186398691 /nfs/dbraw/zinc/39/86/91/186398691.db2.gz XRCXOECNCFCOTE-INIZCTEOSA-N 1 3 266.429 2.410 10 0 CEAEHO CN(C[C@@]1(C[NH2+]C2CC2)CCCOC1)C1CCCC1 ZINC000111324828 186398692 /nfs/dbraw/zinc/39/86/92/186398692.db2.gz XRCXOECNCFCOTE-INIZCTEOSA-N 1 3 266.429 2.410 10 0 CEAEHO CCN(CC)Cc1ccccc1NC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000111266853 186382470 /nfs/dbraw/zinc/38/24/70/186382470.db2.gz RUCCXQQZFGYBTP-HIFRSBDPSA-N 1 3 289.423 2.322 10 0 CEAEHO C[C@H]1CN2CCCC[C@H]2CN1CCCC1CC[NH2+]CC1 ZINC000251894207 539993534 /nfs/dbraw/zinc/99/35/34/539993534.db2.gz VUXXLYGTRUPVBC-RDJZCZTQSA-N 1 3 279.472 2.325 10 0 CEAEHO C[C@H](COCc1ccccc1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000390517796 540390511 /nfs/dbraw/zinc/39/05/11/540390511.db2.gz DOKJSBAJAKZJOK-FVQBIDKESA-N 1 3 262.397 2.451 10 0 CEAEHO CCN(CC)[C@@H](CN[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000094074109 364251224 /nfs/dbraw/zinc/25/12/24/364251224.db2.gz WNUPTKPQWWHFRK-HOTGVXAUSA-N 1 3 261.413 2.021 10 0 CEAEHO C[C@@H]1CN(CCCOc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000631842621 367583712 /nfs/dbraw/zinc/58/37/12/367583712.db2.gz CTTDDKRSKVHHFW-OLZOCXBDSA-N 1 3 266.360 2.121 10 0 CEAEHO C[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@@H]1CN ZINC000631842621 367583719 /nfs/dbraw/zinc/58/37/19/367583719.db2.gz CTTDDKRSKVHHFW-OLZOCXBDSA-N 1 3 266.360 2.121 10 0 CEAEHO C[C@@H]1C[N@@H+](CCCOc2ccc(F)cc2)C[C@@H]1CN ZINC000631842621 367583727 /nfs/dbraw/zinc/58/37/27/367583727.db2.gz CTTDDKRSKVHHFW-OLZOCXBDSA-N 1 3 266.360 2.121 10 0 CEAEHO CN1CCC[C@@H]1CC[N@@H+]1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249570536 371338493 /nfs/dbraw/zinc/33/84/93/371338493.db2.gz OEAPCVKAMAFOJO-BZUAXINKSA-N 1 3 294.464 2.240 10 0 CEAEHO CN1CCC[C@@H]1CC[N@H+]1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249570536 371338497 /nfs/dbraw/zinc/33/84/97/371338497.db2.gz OEAPCVKAMAFOJO-BZUAXINKSA-N 1 3 294.464 2.240 10 0 CEAEHO Cc1cccc(OCCN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261637089 371685602 /nfs/dbraw/zinc/68/56/02/371685602.db2.gz WPGWRDRIHJCUAG-NUEKZKHPSA-N 1 3 260.381 2.043 10 0 CEAEHO COC(=O)[C@@H]1CCCCCC[C@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000261932013 371774789 /nfs/dbraw/zinc/77/47/89/371774789.db2.gz LQTXVNCDICMHQZ-RBSFLKMASA-N 1 3 282.428 2.088 10 0 CEAEHO COC(=O)[C@@H]1CCCCCC[C@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000261932013 371774793 /nfs/dbraw/zinc/77/47/93/371774793.db2.gz LQTXVNCDICMHQZ-RBSFLKMASA-N 1 3 282.428 2.088 10 0 CEAEHO CN1CCC(c2nc(-c3ccc(C[NH3+])cc3)no2)CC1 ZINC000262076759 371819512 /nfs/dbraw/zinc/81/95/12/371819512.db2.gz SPZNYCKXHVPPOG-UHFFFAOYSA-N 1 3 272.352 2.005 10 0 CEAEHO CCC[C@@H](N)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000262905050 371920359 /nfs/dbraw/zinc/92/03/59/371920359.db2.gz BWUIZQCFAPFWAO-LLVKDONJSA-N 1 3 289.301 2.230 10 0 CEAEHO Cc1cc(N[C@H](CC[NH3+])C(F)F)c2ccccc2n1 ZINC000383525747 375204113 /nfs/dbraw/zinc/20/41/13/375204113.db2.gz XDZKSQUQNHBMLU-GFCCVEGCSA-N 1 3 265.307 2.360 10 0 CEAEHO NNc1cccc(N[C@H]2CCN(Cc3ccccc3)C2)[nH+]1 ZINC000307321209 376562424 /nfs/dbraw/zinc/56/24/24/376562424.db2.gz WMEKBROKUAFBJI-AWEZNQCLSA-N 1 3 283.379 2.054 10 0 CEAEHO FC(F)(F)CSCCN[C@H]1CCC[NH2+]CC1 ZINC000423017867 376933668 /nfs/dbraw/zinc/93/36/68/376933668.db2.gz PRFHYKYGWDYLOP-VIFPVBQESA-N 1 3 256.337 2.014 10 0 CEAEHO C[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000562960085 377036233 /nfs/dbraw/zinc/03/62/33/377036233.db2.gz AZJDRUXVZCRCJU-BQFCYCMXSA-N 1 3 289.467 2.485 10 0 CEAEHO CC[NH2+][C@@H]1[C@H](CN2CCC(CO)CC2)CCCC1(C)C ZINC000094285948 184775980 /nfs/dbraw/zinc/77/59/80/184775980.db2.gz OFXITNMQRSZBLN-JKSUJKDBSA-N 1 3 282.472 2.495 10 0 CEAEHO C[NH+](C)[C@@H]1CCCN(c2cc(Cl)ccc2CN)C1 ZINC000091394617 135068830 /nfs/dbraw/zinc/06/88/30/135068830.db2.gz XVDQVNWVVHQRCZ-CYBMUJFWSA-N 1 3 267.804 2.329 10 0 CEAEHO FC(F)(F)[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCNC2)C1 ZINC000422858262 394834261 /nfs/dbraw/zinc/83/42/61/394834261.db2.gz ZNOIOJKFBQDDAT-GMTAPVOTSA-N 1 3 250.308 2.307 10 0 CEAEHO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCN3CCC[C@H]3C2)C[C@H](C)O1 ZINC000343585564 395041694 /nfs/dbraw/zinc/04/16/94/395041694.db2.gz BVOQBXMWBOMXRS-JKJDWNRSSA-N 1 3 266.429 2.406 10 0 CEAEHO Cc1cc(C)cc(OCCN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000381143296 395172233 /nfs/dbraw/zinc/17/22/33/395172233.db2.gz KAPLKHCSBTUSRI-BHYGNILZSA-N 1 3 274.408 2.351 10 0 CEAEHO C[C@H]1CC[C@H](CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)O1 ZINC000381292403 395173789 /nfs/dbraw/zinc/17/37/89/395173789.db2.gz JZAQESWTZLKLBK-SVGFKBNWSA-N 1 3 274.408 2.228 10 0 CEAEHO C[C@H]([NH2+][C@H](CCO)C1CCCCC1)[C@@H]1CCCNC1 ZINC000568748955 395569454 /nfs/dbraw/zinc/56/94/54/395569454.db2.gz PRYZCIQFPRRLLS-NUEKZKHPSA-N 1 3 268.445 2.295 10 0 CEAEHO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000365124112 156071220 /nfs/dbraw/zinc/07/12/20/156071220.db2.gz JICDPTCAIGWEGQ-AYHJJNSGSA-N 1 3 287.451 2.333 10 0 CEAEHO CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000365124112 156071222 /nfs/dbraw/zinc/07/12/22/156071222.db2.gz JICDPTCAIGWEGQ-AYHJJNSGSA-N 1 3 287.451 2.333 10 0 CEAEHO CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000365124112 156071225 /nfs/dbraw/zinc/07/12/25/156071225.db2.gz JICDPTCAIGWEGQ-AYHJJNSGSA-N 1 3 287.451 2.333 10 0 CEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000165345060 162344079 /nfs/dbraw/zinc/34/40/79/162344079.db2.gz SVQJTKQBTGIWME-HOCLYGCPSA-N 1 3 297.487 2.105 10 0 CEAEHO CCC[C@@H](N)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000168639935 162366683 /nfs/dbraw/zinc/36/66/83/162366683.db2.gz QQTDSRSFUXGIOQ-UONOGXRCSA-N 1 3 283.460 2.131 10 0 CEAEHO CCC[C@@H](N)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000168639935 162366687 /nfs/dbraw/zinc/36/66/87/162366687.db2.gz QQTDSRSFUXGIOQ-UONOGXRCSA-N 1 3 283.460 2.131 10 0 CEAEHO Cc1cc(C)cc(OC[C@H](CC[NH3+])N2CCCC2)c1 ZINC000020402085 171182492 /nfs/dbraw/zinc/18/24/92/171182492.db2.gz QDZJDWAEIZSXAJ-HNNXBMFYSA-N 1 3 262.397 2.495 10 0 CEAEHO CC[NH2+]Cc1cc(F)ccc1N1CCCN(C)CC1 ZINC000037236448 173054285 /nfs/dbraw/zinc/05/42/85/173054285.db2.gz MCFPOIVQZZOEJJ-UHFFFAOYSA-N 1 3 265.376 2.077 10 0 CEAEHO C[C@@H]([NH2+]CCN1CCCCCC1)[C@@H]1CCCN(C)C1 ZINC000040767728 174398519 /nfs/dbraw/zinc/39/85/19/174398519.db2.gz NRKUNMSHTOQDIK-HZPDHXFCSA-N 1 3 267.461 2.182 10 0 CEAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CCC(C)(C)[NH3+] ZINC000309722888 414855903 /nfs/dbraw/zinc/85/59/03/414855903.db2.gz MRICSADMSQYCMY-AWEZNQCLSA-N 1 3 291.439 2.141 10 0 CEAEHO CC[C@@H]([NH3+])[C@@H](c1ccco1)N(C)C1CCN(C)CC1 ZINC000043334453 175010782 /nfs/dbraw/zinc/01/07/82/175010782.db2.gz JZPXRGMXFKWWLM-HIFRSBDPSA-N 1 3 265.401 2.084 10 0 CEAEHO CC(C)CN(CCN(C)C)[C@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043336302 175011675 /nfs/dbraw/zinc/01/16/75/175011675.db2.gz CXKKGUMYECFPAD-HIFRSBDPSA-N 1 3 267.417 2.188 10 0 CEAEHO CC[C@H]([NH3+])[C@@H](c1ccccn1)N(CCN(C)C)CC(C)C ZINC000043341169 175015316 /nfs/dbraw/zinc/01/53/16/175015316.db2.gz CUBRQQIRYIOYPJ-RDJZCZTQSA-N 1 3 292.471 2.380 10 0 CEAEHO CCC[NH2+][C@@H]1CCCC[C@@H]1N(C)C1CCN(C)CC1 ZINC000043815457 175112547 /nfs/dbraw/zinc/11/25/47/175112547.db2.gz OTWBFLYSHLSLPJ-CVEARBPZSA-N 1 3 267.461 2.323 10 0 CEAEHO CCC[NH2+][C@@H](CC)[C@@H](C)N(C)C1CCN(C)CC1 ZINC000043815440 175112650 /nfs/dbraw/zinc/11/26/50/175112650.db2.gz IJFBJYOIKLNREI-HIFRSBDPSA-N 1 3 255.450 2.179 10 0 CEAEHO C[NH2+][C@H](CN1CCN(C(C)C)CC1)c1ccc(C)cc1 ZINC000043896868 175119059 /nfs/dbraw/zinc/11/90/59/175119059.db2.gz NVNCYFVTQWOOKQ-QGZVFWFLSA-N 1 3 275.440 2.282 10 0 CEAEHO CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CCN(C(C)C)CC1 ZINC000043897096 175119776 /nfs/dbraw/zinc/11/97/76/175119776.db2.gz BUPOFDHILCMXER-ZWKOTPCHSA-N 1 3 287.451 2.288 10 0 CEAEHO CCC[NH2+][C@@H](C)[C@@H](C)N1CCN(C(C)(C)C)CC1 ZINC000043965732 175127281 /nfs/dbraw/zinc/12/72/81/175127281.db2.gz RWGKJIYOAAQADZ-UONOGXRCSA-N 1 3 255.450 2.179 10 0 CEAEHO C[NH2+][C@H](C)c1cccc(NC(=O)NC[C@@H](C)N(C)C)c1 ZINC000045113983 175311225 /nfs/dbraw/zinc/31/12/25/175311225.db2.gz VMBXJTDAXSXPQT-VXGBXAGGSA-N 1 3 278.400 2.039 10 0 CEAEHO CCn1nc(C)c([C@@H](C)N2CCC(C[NH3+])CC2)c1C ZINC000045173297 175322525 /nfs/dbraw/zinc/32/25/25/175322525.db2.gz KKOCFHJYPCCARC-GFCCVEGCSA-N 1 3 264.417 2.252 10 0 CEAEHO CCN[C@](C)(CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000045419356 175378059 /nfs/dbraw/zinc/37/80/59/175378059.db2.gz NCMPGLFULYSGTJ-ZMSDIMECSA-N 1 3 295.471 2.132 10 0 CEAEHO CCN[C@](C)(CCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000045419356 175378061 /nfs/dbraw/zinc/37/80/61/175378061.db2.gz NCMPGLFULYSGTJ-ZMSDIMECSA-N 1 3 295.471 2.132 10 0 CEAEHO CC[C@@H]1CCCC[C@]1(CN)[N@H+](C)CCCN(C)C ZINC000071162281 176046688 /nfs/dbraw/zinc/04/66/88/176046688.db2.gz CWRIEGUQTZMPAG-HUUCEWRRSA-N 1 3 255.450 2.168 10 0 CEAEHO CC[C@@H]1CCCC[C@]1(CN)[N@@H+](C)CCCN(C)C ZINC000071162281 176046690 /nfs/dbraw/zinc/04/66/90/176046690.db2.gz CWRIEGUQTZMPAG-HUUCEWRRSA-N 1 3 255.450 2.168 10 0 CEAEHO C[C@@H]1CC(C)(C)C[C@](CN)([N@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071188584 176063540 /nfs/dbraw/zinc/06/35/40/176063540.db2.gz WNXOOXYZJWDQHR-BFYDXBDKSA-N 1 3 281.488 2.414 10 0 CEAEHO C[C@@H]1CC(C)(C)C[C@](CN)([N@@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071188584 176063541 /nfs/dbraw/zinc/06/35/41/176063541.db2.gz WNXOOXYZJWDQHR-BFYDXBDKSA-N 1 3 281.488 2.414 10 0 CEAEHO CC[C@H](C)C[C@@](CC)(CN)[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188595 176063620 /nfs/dbraw/zinc/06/36/20/176063620.db2.gz MGXOSEADHSRVPY-XHSDSOJGSA-N 1 3 269.477 2.414 10 0 CEAEHO CC[C@H](C)C[C@@](CC)(CN)[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188595 176063621 /nfs/dbraw/zinc/06/36/21/176063621.db2.gz MGXOSEADHSRVPY-XHSDSOJGSA-N 1 3 269.477 2.414 10 0 CEAEHO C[C@@H](N)c1cc(F)ccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189391 176064808 /nfs/dbraw/zinc/06/48/08/176064808.db2.gz FVCZEYJARCIPLQ-VXGBXAGGSA-N 1 3 265.376 2.233 10 0 CEAEHO C[C@@H](N)c1cc(F)ccc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189391 176064809 /nfs/dbraw/zinc/06/48/09/176064809.db2.gz FVCZEYJARCIPLQ-VXGBXAGGSA-N 1 3 265.376 2.233 10 0 CEAEHO CCN1CCC[C@H](N2Cc3ccc(F)cc3C2=[NH2+])C1 ZINC000071268907 176102635 /nfs/dbraw/zinc/10/26/35/176102635.db2.gz UTGKBHBHDRKHJG-ZDUSSCGKSA-N 1 3 261.344 2.451 10 0 CEAEHO CN1CCCC[C@@H]1CN1Cc2ccc(F)cc2C1=[NH2+] ZINC000071269046 176102951 /nfs/dbraw/zinc/10/29/51/176102951.db2.gz CVYUDWSEXUCHGD-CYBMUJFWSA-N 1 3 261.344 2.451 10 0 CEAEHO Cc1nccn1CC[N@H+]1C[C@H](CC(C)C)NC[C@@H]1C1CC1 ZINC000071351160 176134558 /nfs/dbraw/zinc/13/45/58/176134558.db2.gz ABSDEHQWMBARGP-DLBZAZTESA-N 1 3 290.455 2.290 10 0 CEAEHO Cc1nccn1CC[N@@H+]1C[C@H](CC(C)C)NC[C@@H]1C1CC1 ZINC000071351160 176134559 /nfs/dbraw/zinc/13/45/59/176134559.db2.gz ABSDEHQWMBARGP-DLBZAZTESA-N 1 3 290.455 2.290 10 0 CEAEHO CC[C@H]([NH3+])Cc1cc(C)ccc1OCCN(C)C ZINC000071412362 176157749 /nfs/dbraw/zinc/15/77/49/176157749.db2.gz BGNKQHBFNQWKAU-AWEZNQCLSA-N 1 3 250.386 2.215 10 0 CEAEHO C[C@@H](COCc1ccccc1)N[C@@H]1CCC[NH2+]CC1 ZINC000390569891 262220340 /nfs/dbraw/zinc/22/03/40/262220340.db2.gz BHNNANTXYYBERH-GOEBONIOSA-N 1 3 262.397 2.323 10 0 CEAEHO CC1(C)[C@H](O)C[C@@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000336314875 276164559 /nfs/dbraw/zinc/16/45/59/276164559.db2.gz FEKVLIHMRZZICB-LSDHHAIUSA-N 1 3 266.429 2.142 10 0 CEAEHO CC1(C)[C@H](O)C[C@@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000336314875 276164560 /nfs/dbraw/zinc/16/45/60/276164560.db2.gz FEKVLIHMRZZICB-LSDHHAIUSA-N 1 3 266.429 2.142 10 0 CEAEHO CC(C)(C)C1CCC(CNC[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263130822 278301289 /nfs/dbraw/zinc/30/12/89/278301289.db2.gz BPMGJUKTUQBSNR-OOJKYFRXSA-N 1 3 268.445 2.009 10 0 CEAEHO CC(C)(C)C1CCC(C[NH2+]C[C@H]2CNC[C@H]2O)CC1 ZINC000263130822 278301290 /nfs/dbraw/zinc/30/12/90/278301290.db2.gz BPMGJUKTUQBSNR-OOJKYFRXSA-N 1 3 268.445 2.009 10 0 CEAEHO C[C@H]1CCCCN1CCC[NH2+]CC1CCOCC1 ZINC000052171821 278332314 /nfs/dbraw/zinc/33/23/14/278332314.db2.gz BIERMEQMGUCPES-AWEZNQCLSA-N 1 3 254.418 2.267 10 0 CEAEHO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@@H]1CCCNC1 ZINC000576268517 314257852 /nfs/dbraw/zinc/25/78/52/314257852.db2.gz CKDOCIHRWFGVOE-NPJQDHAYSA-N 1 3 278.440 2.312 10 0 CEAEHO CC(C)N1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H](C)CCN(C)C ZINC000049554482 519697505 /nfs/dbraw/zinc/69/75/05/519697505.db2.gz HWVVYUVXWGWEIO-PMRDEQMMSA-N 1 3 281.488 2.425 10 0 CEAEHO CC(C)CN1CCN([C@H]([C@H](C)[NH3+])C(C)(C)C)CC1 ZINC000055077373 519727768 /nfs/dbraw/zinc/72/77/68/519727768.db2.gz VQRCSBSUJDJPHR-UONOGXRCSA-N 1 3 255.450 2.022 10 0 CEAEHO CC(C)CN1CCN([C@H](C)CC[NH2+]C(C)C)CC1 ZINC000055083099 519728207 /nfs/dbraw/zinc/72/82/07/519728207.db2.gz VYERBQLITLNUOV-OAHLLOKOSA-N 1 3 255.450 2.037 10 0 CEAEHO CCC[NH2+]C[C@@H](C(C)C)N1CCN(C(C)C)CC1 ZINC000052479954 519920175 /nfs/dbraw/zinc/92/01/75/519920175.db2.gz QPBIXCXXDXBOOI-HNNXBMFYSA-N 1 3 255.450 2.037 10 0 CEAEHO CCC[NH2+]C[C@@H](C)CN1CCN(C(C)(C)C)CC1 ZINC000052571600 519920335 /nfs/dbraw/zinc/92/03/35/519920335.db2.gz SOIRJWIRHVUYMO-CQSZACIVSA-N 1 3 255.450 2.038 10 0 CEAEHO CC[NH2+]C[C@@](C)(CC)CN1CCC[C@@H]1CCCO ZINC000052763322 519957189 /nfs/dbraw/zinc/95/71/89/519957189.db2.gz ABJHDLYQZQZYGM-HUUCEWRRSA-N 1 3 256.434 2.249 10 0 CEAEHO CCNC[C@@](C)(CC)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052763322 519957199 /nfs/dbraw/zinc/95/71/99/519957199.db2.gz ABJHDLYQZQZYGM-HUUCEWRRSA-N 1 3 256.434 2.249 10 0 CEAEHO CCNC[C@@](C)(CC)C[N@H+]1CCC[C@@H]1CCCO ZINC000052763322 519957206 /nfs/dbraw/zinc/95/72/06/519957206.db2.gz ABJHDLYQZQZYGM-HUUCEWRRSA-N 1 3 256.434 2.249 10 0 CEAEHO CCNCc1c(C)nc(CC[NH+](CC)CC)nc1C ZINC000054854123 519982671 /nfs/dbraw/zinc/98/26/71/519982671.db2.gz FUQJKIFXOPSKBU-UHFFFAOYSA-N 1 3 264.417 2.087 10 0 CEAEHO CC[NH2+][C@@H](C)CCCN1CCN([C@H](C)CC)CC1 ZINC000055065144 520073133 /nfs/dbraw/zinc/07/31/33/520073133.db2.gz OTHUSOVLCCPTRX-LSDHHAIUSA-N 1 3 255.450 2.181 10 0 CEAEHO CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1CN(C)C[C@@H](C)O ZINC000054560656 520120793 /nfs/dbraw/zinc/12/07/93/520120793.db2.gz TWVMCQIOBJVZPR-KLHDSHLOSA-N 1 3 270.461 2.349 10 0 CEAEHO C[NH2+][C@@H]1CCCC[C@H]1CN1CCN(CC(C)C)CC1 ZINC000055082087 522378471 /nfs/dbraw/zinc/37/84/71/522378471.db2.gz VLJSJYWLVMIROR-JKSUJKDBSA-N 1 3 267.461 2.038 10 0 CEAEHO C[C@H](NCCSc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400428566 533863512 /nfs/dbraw/zinc/86/35/12/533863512.db2.gz ZKEDVGWASCYYTK-QWHCGFSZSA-N 1 3 250.411 2.366 10 0 CEAEHO C[NH2+][C@H]1CCCCC[C@@H]1N1CCN(CC(C)C)CC1 ZINC000055078800 522489829 /nfs/dbraw/zinc/48/98/29/522489829.db2.gz GAXZBPMXMXSNGR-HOTGVXAUSA-N 1 3 267.461 2.181 10 0 CEAEHO C(NC1CC1)C1(C[N@H+]2C[C@H]3CC[C@@H]2C3)CCOCC1 ZINC000052183021 518395962 /nfs/dbraw/zinc/39/59/62/518395962.db2.gz APKYOQALJBOGNV-DZGCQCFKSA-N 1 3 264.413 2.020 10 0 CEAEHO C(NC1CC1)C1(C[N@@H+]2C[C@H]3CC[C@@H]2C3)CCOCC1 ZINC000052183021 518395959 /nfs/dbraw/zinc/39/59/59/518395959.db2.gz APKYOQALJBOGNV-DZGCQCFKSA-N 1 3 264.413 2.020 10 0 CEAEHO CC(C)(C)N1CCN(Cc2cc(C[NH2+]C3CC3)co2)CC1 ZINC000052571660 518709979 /nfs/dbraw/zinc/70/99/79/518709979.db2.gz NUALXEXBKGGFGA-UHFFFAOYSA-N 1 3 291.439 2.448 10 0 CEAEHO CC(C)C[C@H](CN(C)C)NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000156013304 519335831 /nfs/dbraw/zinc/33/58/31/519335831.db2.gz UDKCYTSWLQESGS-BZUAXINKSA-N 1 3 297.487 2.105 10 0 CEAEHO CC(C)CN(CCN(C)C)[C@@H](C)C[NH2+]C(C)(C)C ZINC000052503269 519716954 /nfs/dbraw/zinc/71/69/54/519716954.db2.gz MCWHUMGGUMEKAU-AWEZNQCLSA-N 1 3 257.466 2.283 10 0 CEAEHO CC(C)CN1CCN([C@@H](c2cccc(F)c2)[C@@H](C)[NH3+])CC1 ZINC000055077450 519727555 /nfs/dbraw/zinc/72/75/55/519727555.db2.gz FDKDVAVUUFTICK-RHSMWYFYSA-N 1 3 293.430 2.488 10 0 CEAEHO CC(C)CN1CCN([C@H](C[NH3+])[C@@H](C)c2ccccc2)CC1 ZINC000055078035 519727866 /nfs/dbraw/zinc/72/78/66/519727866.db2.gz RIQFCSWFXOTMAD-FUHWJXTLSA-N 1 3 289.467 2.391 10 0 CEAEHO CC(C)CN1CCN([C@H](C[NH3+])c2ccc(F)c(F)c2)CC1 ZINC000055078554 519728200 /nfs/dbraw/zinc/72/82/00/519728200.db2.gz OGLGZGRIODJFDJ-MRXNPFEDSA-N 1 3 297.393 2.238 10 0 CEAEHO CCCN1CCN([C@@H](C[NH2+]C(C)C)C(C)C)CC1 ZINC000052421696 519859682 /nfs/dbraw/zinc/85/96/82/519859682.db2.gz AAVKJZIINRTOFB-HNNXBMFYSA-N 1 3 255.450 2.037 10 0 CEAEHO CCC[NH2+]CC1(CN2CCCC[C@@H]2CCO)CCOCC1 ZINC000052181051 519910019 /nfs/dbraw/zinc/91/00/19/519910019.db2.gz PNNKIJULOZTVEI-MRXNPFEDSA-N 1 3 298.471 2.020 10 0 CEAEHO CCNCC1(C[N@H+](C)[C@H](C)C2CC2)CCOCC1 ZINC000052181777 519912935 /nfs/dbraw/zinc/91/29/35/519912935.db2.gz FCENVERWUVGZKQ-CYBMUJFWSA-N 1 3 254.418 2.123 10 0 CEAEHO CCNCC1(C[N@@H+](C)[C@H](C)C2CC2)CCOCC1 ZINC000052181777 519912937 /nfs/dbraw/zinc/91/29/37/519912937.db2.gz FCENVERWUVGZKQ-CYBMUJFWSA-N 1 3 254.418 2.123 10 0 CEAEHO CC[NH2+]CC1(CN(C)[C@H](C)C2CC2)CCOCC1 ZINC000052181777 519912941 /nfs/dbraw/zinc/91/29/41/519912941.db2.gz FCENVERWUVGZKQ-CYBMUJFWSA-N 1 3 254.418 2.123 10 0 CEAEHO CC[NH2+]CCCCCN1CCN(C(C)(C)C)CC1 ZINC000052571677 519919004 /nfs/dbraw/zinc/91/90/04/519919004.db2.gz VHCQIXZTWLDFMC-UHFFFAOYSA-N 1 3 255.450 2.182 10 0 CEAEHO CCC[NH2+]C[C@@H]1CC[C@@H](CN(CC)C[C@@H]2CCCO2)O1 ZINC000052511051 519924236 /nfs/dbraw/zinc/92/42/36/519924236.db2.gz UXHSDDSQMQUECK-JYJNAYRXSA-N 1 3 284.444 2.035 10 0 CEAEHO CCC[NH2+]C[C@H](C(C)C)N1CCC[C@@H]1CN(C)C ZINC000061654738 519929993 /nfs/dbraw/zinc/92/99/93/519929993.db2.gz VXYDVYWJXNOBST-HUUCEWRRSA-N 1 3 255.450 2.037 10 0 CEAEHO CCC[NH2+][C@H](C)C1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000068875184 520062182 /nfs/dbraw/zinc/06/21/82/520062182.db2.gz ZCJAJADOFKDJRC-ZYHUDNBSSA-N 1 3 282.350 2.010 10 0 CEAEHO CC[NH2+][C@H](C)CC(=O)Nc1cccc(CN(C)C)c1 ZINC000061270549 520171041 /nfs/dbraw/zinc/17/10/41/520171041.db2.gz LTEGEHJLYBYHPN-GFCCVEGCSA-N 1 3 263.385 2.075 10 0 CEAEHO CCCCC[NH2+]CCN1CCN([C@H](C)CC)CC1 ZINC000055075089 520224807 /nfs/dbraw/zinc/22/48/07/520224807.db2.gz HEAQIYWGWBMTKY-OAHLLOKOSA-N 1 3 255.450 2.182 10 0 CEAEHO CCCC[NH2+]C[C@H](C)N1CCN([C@H](C)CC)CC1 ZINC000055075283 520692579 /nfs/dbraw/zinc/69/25/79/520692579.db2.gz LOKFHOISOTZNRC-CABCVRRESA-N 1 3 255.450 2.181 10 0 CEAEHO CCC[C@H](C)[NH2+]C[C@H](C)N1CCN(CC(C)C)CC1 ZINC000055075955 521060863 /nfs/dbraw/zinc/06/08/63/521060863.db2.gz WIRWXPSIZIEATE-HOTGVXAUSA-N 1 3 269.477 2.427 10 0 CEAEHO CCCC[C@](CC)(C[NH3+])N(CCCOC)CCOC ZINC000069380373 521253465 /nfs/dbraw/zinc/25/34/65/521253465.db2.gz OOIZJGKMQCGKAY-OAHLLOKOSA-N 1 3 274.449 2.269 10 0 CEAEHO CCCC[C@](CC)(CN)[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000069381137 521254178 /nfs/dbraw/zinc/25/41/78/521254178.db2.gz IWGGIRZHTOMRKB-HUUCEWRRSA-N 1 3 255.450 2.168 10 0 CEAEHO CCCC[C@](CC)(CN)[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000069381137 521254185 /nfs/dbraw/zinc/25/41/85/521254185.db2.gz IWGGIRZHTOMRKB-HUUCEWRRSA-N 1 3 255.450 2.168 10 0 CEAEHO CCC[C@]1(C(=O)Nc2cnccc2N(C)C)CCC[NH2+]C1 ZINC000062854820 521300974 /nfs/dbraw/zinc/30/09/74/521300974.db2.gz ZHKZBVUNLCRGND-INIZCTEOSA-N 1 3 290.411 2.256 10 0 CEAEHO CCCN(C)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052181339 521484467 /nfs/dbraw/zinc/48/44/67/521484467.db2.gz DRPNPQZDNPYELB-UHFFFAOYSA-N 1 3 256.434 2.371 10 0 CEAEHO CCN1CCC([N@H+](C)[C@H](CN)CCc2ccccc2)CC1 ZINC000061625050 521566632 /nfs/dbraw/zinc/56/66/32/521566632.db2.gz JODDSCMEMACKAW-SFHVURJKSA-N 1 3 289.467 2.363 10 0 CEAEHO CCN1CCC([N@@H+](C)[C@H](CN)CCc2ccccc2)CC1 ZINC000061625050 521566637 /nfs/dbraw/zinc/56/66/37/521566637.db2.gz JODDSCMEMACKAW-SFHVURJKSA-N 1 3 289.467 2.363 10 0 CEAEHO CCC(CC)[C@H](CNC(=O)[C@@H](N)CC(C)C)[NH+]1CCCC1 ZINC000164395505 521617356 /nfs/dbraw/zinc/61/73/56/521617356.db2.gz IPAQOEIRGQPQDI-HOTGVXAUSA-N 1 3 297.487 2.377 10 0 CEAEHO C[NH2+]CC1(CN2CC[C@@H](c3ccccc3)C2)CCOCC1 ZINC000052182061 521970987 /nfs/dbraw/zinc/97/09/87/521970987.db2.gz VQQWGPKIZUBQNW-QGZVFWFLSA-N 1 3 288.435 2.492 10 0 CEAEHO CNCC1(C[N@@H+]2CC[C@@H](c3ccccc3)C2)CCOCC1 ZINC000052182061 521970990 /nfs/dbraw/zinc/97/09/90/521970990.db2.gz VQQWGPKIZUBQNW-QGZVFWFLSA-N 1 3 288.435 2.492 10 0 CEAEHO CNCC1(C[N@H+]2CC[C@@H](c3ccccc3)C2)CCOCC1 ZINC000052182061 521970999 /nfs/dbraw/zinc/97/09/99/521970999.db2.gz VQQWGPKIZUBQNW-QGZVFWFLSA-N 1 3 288.435 2.492 10 0 CEAEHO C[NH2+]CCC[C@H](C)N1CCN(c2cccc(OC)c2)CC1 ZINC000052423702 522000923 /nfs/dbraw/zinc/00/09/23/522000923.db2.gz KHWUBCZOUBHFSS-HNNXBMFYSA-N 1 3 291.439 2.205 10 0 CEAEHO C[NH2+]C[C@@H](OCCN1CCCCC1)c1ccccc1 ZINC000052671096 522036163 /nfs/dbraw/zinc/03/61/63/522036163.db2.gz HGCZSSSRIGTLQH-MRXNPFEDSA-N 1 3 262.397 2.450 10 0 CEAEHO C[NH+](C)[C@H]1CCN([C@@H](CN)c2cc3ccccc3o2)C1 ZINC000068812016 522104434 /nfs/dbraw/zinc/10/44/34/522104434.db2.gz KOMPOVBLIMCEPQ-KBPBESRZSA-N 1 3 273.380 2.069 10 0 CEAEHO CC[C@@H](C)N1CCN(CCC[NH2+]CC(C)C)CC1 ZINC000055073706 522119233 /nfs/dbraw/zinc/11/92/33/522119233.db2.gz OXQQWPNKNUNZQY-OAHLLOKOSA-N 1 3 255.450 2.038 10 0 CEAEHO CC[C@@H](C)N1CCN(CC[NH2+][C@H](C)C(C)C)CC1 ZINC000055075021 522121486 /nfs/dbraw/zinc/12/14/86/522121486.db2.gz DXLDMYGLRRGGSZ-HUUCEWRRSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000055083397 522123328 /nfs/dbraw/zinc/12/33/28/522123328.db2.gz KEYZGGFOZBUBII-CRAIPNDOSA-N 1 3 287.451 2.117 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@](C)([NH3+])c2ccccc2)CC1 ZINC000055083596 522124308 /nfs/dbraw/zinc/12/43/08/522124308.db2.gz FZPKVPVLUCKWHC-WBVHZDCISA-N 1 3 275.440 2.277 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@H]([NH3+])c2ccc(OC)cc2)CC1 ZINC000055065437 522124562 /nfs/dbraw/zinc/12/45/62/522124562.db2.gz LNNXBKFBPUPNQC-PBHICJAKSA-N 1 3 291.439 2.111 10 0 CEAEHO CC[C@@H](C)N1CCN(Cc2ccc(C[NH3+])cc2F)CC1 ZINC000055064268 522126878 /nfs/dbraw/zinc/12/68/78/522126878.db2.gz ZAJJWWVKXYPTEX-CYBMUJFWSA-N 1 3 279.403 2.201 10 0 CEAEHO COC[C@@H](C)N(C)C1(C[NH3+])CCC(C(C)C)CC1 ZINC000054557118 522217160 /nfs/dbraw/zinc/21/71/60/522217160.db2.gz YNJSIYJJGYOIJD-WLYUNCDWSA-N 1 3 256.434 2.497 10 0 CEAEHO COC[C@H](C)N(C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054560172 522592162 /nfs/dbraw/zinc/59/21/62/522592162.db2.gz BDHDKCREBPYYNF-XGUBFFRZSA-N 1 3 256.434 2.353 10 0 CEAEHO COCCCN(CCOC)[C@@H](CC[NH3+])c1ccccc1 ZINC000055016972 523258971 /nfs/dbraw/zinc/25/89/71/523258971.db2.gz SCDLHJSDZQLAOC-INIZCTEOSA-N 1 3 280.412 2.061 10 0 CEAEHO CC[C@@H]1CSC(N[C@H]2CC[N@@H+]3CCCC[C@H]23)=N1 ZINC000049569539 523522202 /nfs/dbraw/zinc/52/22/02/523522202.db2.gz UCJMHLOWTYQBHE-GRYCIOLGSA-N 1 3 253.415 2.084 10 0 CEAEHO CC[C@@H]1CSC(N[C@H]2CC[N@H+]3CCCC[C@H]23)=N1 ZINC000049569539 523522210 /nfs/dbraw/zinc/52/22/10/523522210.db2.gz UCJMHLOWTYQBHE-GRYCIOLGSA-N 1 3 253.415 2.084 10 0 CEAEHO CN(c1nc(C(C)(C)C)c(C[NH3+])s1)[C@H]1CCCN(C)C1 ZINC000054998276 523660871 /nfs/dbraw/zinc/66/08/71/523660871.db2.gz QOLPSVBRSDUSFR-NSHDSACASA-N 1 3 296.484 2.430 10 0 CEAEHO COc1ccc(C)cc1[C@@H](N)CN1CCC[C@@H]1C[NH+](C)C ZINC000061643496 523855591 /nfs/dbraw/zinc/85/55/91/523855591.db2.gz KVDPMCVKQVLNBL-ZBFHGGJFSA-N 1 3 291.439 2.029 10 0 CEAEHO CC[C@H](C)N1CCN(CC[NH2+]Cc2cccs2)CC1 ZINC000055075532 523954602 /nfs/dbraw/zinc/95/46/02/523954602.db2.gz JLLCCNHIPURJTN-AWEZNQCLSA-N 1 3 281.469 2.254 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C)C[NH2+]CC(C)C)CC1 ZINC000055074128 523959747 /nfs/dbraw/zinc/95/97/47/523959747.db2.gz BFKQCUJEGPXBNM-LSDHHAIUSA-N 1 3 255.450 2.037 10 0 CEAEHO CN(CCC[NH+](C)C)[C@@H](CN)c1cc2ccccc2o1 ZINC000068812113 524053445 /nfs/dbraw/zinc/05/34/45/524053445.db2.gz SDOHBHRHGCAMEG-AWEZNQCLSA-N 1 3 275.396 2.316 10 0 CEAEHO C[C@H]1CCC[C@H]([N@H+](C)Cc2ccnc(C(=N)N)c2)C1 ZINC000068761444 524201504 /nfs/dbraw/zinc/20/15/04/524201504.db2.gz RXXXFFUJXYWPSB-AAEUAGOBSA-N 1 3 260.385 2.376 10 0 CEAEHO C[C@H]1CCC[C@H]([N@@H+](C)Cc2ccnc(C(=N)N)c2)C1 ZINC000068761444 524201510 /nfs/dbraw/zinc/20/15/10/524201510.db2.gz RXXXFFUJXYWPSB-AAEUAGOBSA-N 1 3 260.385 2.376 10 0 CEAEHO C[C@@H]([NH3+])c1ccc(NC(=O)N2CCC[C@H]2CN(C)C)cc1 ZINC000061655771 525028828 /nfs/dbraw/zinc/02/88/28/525028828.db2.gz QJTXTPWZDBNESK-DOMZBBRYSA-N 1 3 290.411 2.264 10 0 CEAEHO Cc1ccccc1[C@H](N)CC[N@H+]1CCC[C@@H]1CN(C)C ZINC000061653556 525424034 /nfs/dbraw/zinc/42/40/34/525424034.db2.gz MSXHVXWBIBRSSZ-NVXWUHKLSA-N 1 3 275.440 2.411 10 0 CEAEHO Cc1ccccc1[C@H](N)CC[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061653556 525424038 /nfs/dbraw/zinc/42/40/38/525424038.db2.gz MSXHVXWBIBRSSZ-NVXWUHKLSA-N 1 3 275.440 2.411 10 0 CEAEHO Cc1ccc([C@H](C[NH3+])N2CCN(CC(C)C)CC2)s1 ZINC000055077177 525952205 /nfs/dbraw/zinc/95/22/05/525952205.db2.gz XZYHLSGOYMSRKV-AWEZNQCLSA-N 1 3 281.469 2.330 10 0 CEAEHO Cc1cc(-n2ccnc2CC[NH3+])c2ccccc2n1 ZINC000052304595 526075780 /nfs/dbraw/zinc/07/57/80/526075780.db2.gz WXTGOUJWXGXVMY-UHFFFAOYSA-N 1 3 252.321 2.230 10 0 CEAEHO NC(=[NH2+])C[C@@H](c1ccccc1)N(CCO)C1CCCC1 ZINC000055023332 526816135 /nfs/dbraw/zinc/81/61/35/526816135.db2.gz PALJHXFPXCCPIC-HNNXBMFYSA-N 1 3 275.396 2.291 10 0 CEAEHO Cc1nc2ccccn2c1C[NH2+][C@H](C)CCN(C)C ZINC000049554056 527179851 /nfs/dbraw/zinc/17/98/51/527179851.db2.gz ZTWXGKBIFHNWRF-GFCCVEGCSA-N 1 3 260.385 2.073 10 0 CEAEHO NNc1cc(CN2CC[C@H]3CCCC[C@@H]3C2)cc[nH+]1 ZINC000052718539 527274687 /nfs/dbraw/zinc/27/46/87/527274687.db2.gz PCJBLDJXNQUSPP-ZIAGYGMSSA-N 1 3 260.385 2.379 10 0 CEAEHO [NH3+][C@H]1CCCCCC[C@H]1N1CCN(CC2CC2)CC1 ZINC000048993026 527393823 /nfs/dbraw/zinc/39/38/23/527393823.db2.gz VVOSSDGVNLUCCZ-JKSUJKDBSA-N 1 3 265.445 2.064 10 0 CEAEHO CC[NH2+]Cc1cccc(N2C[C@H]3CCCCN3C[C@@H]2C)n1 ZINC000094443319 535479249 /nfs/dbraw/zinc/47/92/49/535479249.db2.gz RMFCFGRTIREVGQ-GOEBONIOSA-N 1 3 288.439 2.254 10 0 CEAEHO CCN1CCN(c2cccc(C[NH2+]CC(C)C)n2)C[C@@H]1C ZINC000110749712 535749379 /nfs/dbraw/zinc/74/93/79/535749379.db2.gz IQNAFNDDQLGLDM-HNNXBMFYSA-N 1 3 290.455 2.358 10 0 CEAEHO CCC[C@@H](N)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000037017298 343425387 /nfs/dbraw/zinc/42/53/87/343425387.db2.gz XOPPNHNPIYEADD-OAHLLOKOSA-N 1 3 275.396 2.348 10 0 CEAEHO CC[C@@H]1CN[C@](C)(CC)C[N@@H+]1CCn1ccnc1C ZINC000085494601 179082202 /nfs/dbraw/zinc/08/22/02/179082202.db2.gz QGXFETNARZRIGE-HUUCEWRRSA-N 1 3 264.417 2.044 10 0 CEAEHO CC[C@@H]1CN[C@](C)(CC)C[N@H+]1CCn1ccnc1C ZINC000085494601 179082204 /nfs/dbraw/zinc/08/22/04/179082204.db2.gz QGXFETNARZRIGE-HUUCEWRRSA-N 1 3 264.417 2.044 10 0 CEAEHO Cc1nccn1CC[N@@H+]1C[C@](C)(C2CC2)NC[C@@H]1C1CC1 ZINC000085513639 179086619 /nfs/dbraw/zinc/08/66/19/179086619.db2.gz FKMUTVBWLYUBOR-IAGOWNOFSA-N 1 3 288.439 2.044 10 0 CEAEHO Cc1nccn1CC[N@H+]1C[C@](C)(C2CC2)NC[C@@H]1C1CC1 ZINC000085513639 179086622 /nfs/dbraw/zinc/08/66/22/179086622.db2.gz FKMUTVBWLYUBOR-IAGOWNOFSA-N 1 3 288.439 2.044 10 0 CEAEHO COCCC[N@@H+]1CC2(CCCCC2)NCC[C@H]1C ZINC000085620797 179105293 /nfs/dbraw/zinc/10/52/93/179105293.db2.gz NASAVQJDTVRVKR-CQSZACIVSA-N 1 3 254.418 2.410 10 0 CEAEHO COCCC[N@H+]1CC2(CCCCC2)NCC[C@H]1C ZINC000085620797 179105294 /nfs/dbraw/zinc/10/52/94/179105294.db2.gz NASAVQJDTVRVKR-CQSZACIVSA-N 1 3 254.418 2.410 10 0 CEAEHO COCCCN1CC2(CCCCC2)[NH2+]CC[C@H]1C ZINC000085620797 179105295 /nfs/dbraw/zinc/10/52/95/179105295.db2.gz NASAVQJDTVRVKR-CQSZACIVSA-N 1 3 254.418 2.410 10 0 CEAEHO CN(C)C[C@H]1CC[N@H+](CCC(=O)OCc2ccccc2)C1 ZINC000128497141 187374228 /nfs/dbraw/zinc/37/42/28/187374228.db2.gz PZRIMJMREYLXJR-MRXNPFEDSA-N 1 3 290.407 2.003 10 0 CEAEHO CN(C)C[C@H]1CC[N@@H+](CCC(=O)OCc2ccccc2)C1 ZINC000128497141 187374230 /nfs/dbraw/zinc/37/42/30/187374230.db2.gz PZRIMJMREYLXJR-MRXNPFEDSA-N 1 3 290.407 2.003 10 0 CEAEHO CCN1CCC[C@@H]([N@@H+]2C[C@H](C3CC3)NC[C@@H]2C(C)C)C1 ZINC000086225397 179252791 /nfs/dbraw/zinc/25/27/91/179252791.db2.gz RVKASVJOFZVBDT-BRWVUGGUSA-N 1 3 279.472 2.179 10 0 CEAEHO CCN1CCC[C@@H]([N@H+]2C[C@H](C3CC3)NC[C@@H]2C(C)C)C1 ZINC000086225397 179252794 /nfs/dbraw/zinc/25/27/94/179252794.db2.gz RVKASVJOFZVBDT-BRWVUGGUSA-N 1 3 279.472 2.179 10 0 CEAEHO CC[C@@H]1CN[C@](C)(CC)C[N@@H+]1[C@@H]1CCCN(CC)C1 ZINC000086225412 179253130 /nfs/dbraw/zinc/25/31/30/179253130.db2.gz UHJZKOZGAZMPMA-BZUAXINKSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@@H]1CN[C@](C)(CC)C[N@H+]1[C@@H]1CCCN(CC)C1 ZINC000086225412 179253132 /nfs/dbraw/zinc/25/31/32/179253132.db2.gz UHJZKOZGAZMPMA-BZUAXINKSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@@H]1CNC2(CCCC2)C[N@@H+]1C[C@@H]1CCCCN1C ZINC000086259351 179258489 /nfs/dbraw/zinc/25/84/89/179258489.db2.gz GERDZHUAASHEKD-CVEARBPZSA-N 1 3 279.472 2.467 10 0 CEAEHO CC[C@@H]1CNC2(CCCC2)C[N@H+]1C[C@@H]1CCCCN1C ZINC000086259351 179258490 /nfs/dbraw/zinc/25/84/90/179258490.db2.gz GERDZHUAASHEKD-CVEARBPZSA-N 1 3 279.472 2.467 10 0 CEAEHO CC[C@@H](C)[C@@H]1C[N@H+](CC[C@@H]2CCCO2)CCCN1 ZINC000086291370 179265201 /nfs/dbraw/zinc/26/52/01/179265201.db2.gz WWQGWETVOVRNCY-ILXRZTDVSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[C@@H](C)[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)CCCN1 ZINC000086291370 179265204 /nfs/dbraw/zinc/26/52/04/179265204.db2.gz WWQGWETVOVRNCY-ILXRZTDVSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[C@@H](C)[C@@H]1CN(CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291370 179265206 /nfs/dbraw/zinc/26/52/06/179265206.db2.gz WWQGWETVOVRNCY-ILXRZTDVSA-N 1 3 254.418 2.266 10 0 CEAEHO CCOC[C@@H](C)N1CCC[NH2+]C2(CCCCC2)C1 ZINC000086292003 179266985 /nfs/dbraw/zinc/26/69/85/179266985.db2.gz XOXMKNRUIUHVQR-CQSZACIVSA-N 1 3 254.418 2.410 10 0 CEAEHO CCOC[C@@H](C)[N@@H+]1CCCNC2(CCCCC2)C1 ZINC000086292003 179266987 /nfs/dbraw/zinc/26/69/87/179266987.db2.gz XOXMKNRUIUHVQR-CQSZACIVSA-N 1 3 254.418 2.410 10 0 CEAEHO CCOC[C@@H](C)[N@H+]1CCCNC2(CCCCC2)C1 ZINC000086292003 179266989 /nfs/dbraw/zinc/26/69/89/179266989.db2.gz XOXMKNRUIUHVQR-CQSZACIVSA-N 1 3 254.418 2.410 10 0 CEAEHO Cc1csc(CCN[C@H]2CCC[N@@H+](C)CC2)n1 ZINC000086819110 179348304 /nfs/dbraw/zinc/34/83/04/179348304.db2.gz ATZZUNZEMJYPJU-LBPRGKRZSA-N 1 3 253.415 2.068 10 0 CEAEHO Cc1csc(CCN[C@H]2CCC[N@H+](C)CC2)n1 ZINC000086819110 179348306 /nfs/dbraw/zinc/34/83/06/179348306.db2.gz ATZZUNZEMJYPJU-LBPRGKRZSA-N 1 3 253.415 2.068 10 0 CEAEHO CC(C)[N@@H+]1CCC[C@@H](NCCc2ccccn2)CC1 ZINC000086835407 179349779 /nfs/dbraw/zinc/34/97/79/179349779.db2.gz YDFRJUGLDHLOFO-MRXNPFEDSA-N 1 3 261.413 2.477 10 0 CEAEHO CC(C)[N@H+]1CCC[C@@H](NCCc2ccccn2)CC1 ZINC000086835407 179349780 /nfs/dbraw/zinc/34/97/80/179349780.db2.gz YDFRJUGLDHLOFO-MRXNPFEDSA-N 1 3 261.413 2.477 10 0 CEAEHO CC(C)N1CCC[C@@H]([NH2+]CCc2ccccn2)CC1 ZINC000086835407 179349782 /nfs/dbraw/zinc/34/97/82/179349782.db2.gz YDFRJUGLDHLOFO-MRXNPFEDSA-N 1 3 261.413 2.477 10 0 CEAEHO CCCN1CCC[C@@]([NH2+]C2CCCCCC2)(C(N)=O)CC1 ZINC000086849661 179357545 /nfs/dbraw/zinc/35/75/45/179357545.db2.gz TVPKWMNEEPASRW-KRWDZBQOSA-N 1 3 295.471 2.419 10 0 CEAEHO CCC[NH+](CCC)[C@@]1(CN)CCCN(CC)CC1 ZINC000086846508 179355607 /nfs/dbraw/zinc/35/56/07/179355607.db2.gz MQTCAKMPONWDLG-HNNXBMFYSA-N 1 3 255.450 2.312 10 0 CEAEHO CCC[N@@H+]1CCC[C@@](CC(=O)OCC)(N(C)C)CC1 ZINC000086868538 179360945 /nfs/dbraw/zinc/36/09/45/179360945.db2.gz GGADTYOWRWBUBH-OAHLLOKOSA-N 1 3 270.417 2.136 10 0 CEAEHO CCC[N@H+]1CCC[C@@](CC(=O)OCC)(N(C)C)CC1 ZINC000086868538 179360946 /nfs/dbraw/zinc/36/09/46/179360946.db2.gz GGADTYOWRWBUBH-OAHLLOKOSA-N 1 3 270.417 2.136 10 0 CEAEHO CCCN1CCC[C@@](CC(=O)OCC)([NH+](C)C)CC1 ZINC000086868538 179360948 /nfs/dbraw/zinc/36/09/48/179360948.db2.gz GGADTYOWRWBUBH-OAHLLOKOSA-N 1 3 270.417 2.136 10 0 CEAEHO CCCN1CCC[C@]([NH2+]C2CCCCCC2)(C(N)=O)CC1 ZINC000086849658 179357966 /nfs/dbraw/zinc/35/79/66/179357966.db2.gz TVPKWMNEEPASRW-QGZVFWFLSA-N 1 3 295.471 2.419 10 0 CEAEHO COCCCN(CCOC)[C@@]1(C[NH3+])CCC[C@@H](C)CC1 ZINC000086891127 179366152 /nfs/dbraw/zinc/36/61/52/179366152.db2.gz XBSFBMMHAXGZMK-CVEARBPZSA-N 1 3 286.460 2.269 10 0 CEAEHO CN(CCC[NH2+][C@H]1CCCNCC1)c1ccccc1 ZINC000128845725 187394086 /nfs/dbraw/zinc/39/40/86/187394086.db2.gz PJVJTUGMAJFDGA-HNNXBMFYSA-N 1 3 261.413 2.245 10 0 CEAEHO CN(CCCN[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000128845725 187394087 /nfs/dbraw/zinc/39/40/87/187394087.db2.gz PJVJTUGMAJFDGA-HNNXBMFYSA-N 1 3 261.413 2.245 10 0 CEAEHO Cc1nn(C)cc1[C@H](C)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000087410436 179421770 /nfs/dbraw/zinc/42/17/70/179421770.db2.gz CPDZPYCJQWLKNR-BBRMVZONSA-N 1 3 276.428 2.254 10 0 CEAEHO CCCN[C@H]1COC[C@H]1C[N@H+](C)CCc1ccccc1 ZINC000090567221 180006806 /nfs/dbraw/zinc/00/68/06/180006806.db2.gz CVFNZEFDSFSCRR-SJORKVTESA-N 1 3 276.424 2.176 10 0 CEAEHO CCCN[C@H]1COC[C@H]1C[N@@H+](C)CCc1ccccc1 ZINC000090567221 180006807 /nfs/dbraw/zinc/00/68/07/180006807.db2.gz CVFNZEFDSFSCRR-SJORKVTESA-N 1 3 276.424 2.176 10 0 CEAEHO Fc1ccc2c(c1)C[C@H](C[NH2+]C[C@@H]1CCN(C3CC3)C1)O2 ZINC000090892239 180053821 /nfs/dbraw/zinc/05/38/21/180053821.db2.gz KCSIYWBTHYBXOO-BLLLJJGKSA-N 1 3 290.382 2.203 10 0 CEAEHO Fc1ccc2c(c1)C[C@H](CNC[C@@H]1CC[N@@H+](C3CC3)C1)O2 ZINC000090892239 180053823 /nfs/dbraw/zinc/05/38/23/180053823.db2.gz KCSIYWBTHYBXOO-BLLLJJGKSA-N 1 3 290.382 2.203 10 0 CEAEHO Fc1ccc2c(c1)C[C@H](CNC[C@@H]1CC[N@H+](C3CC3)C1)O2 ZINC000090892239 180053824 /nfs/dbraw/zinc/05/38/24/180053824.db2.gz KCSIYWBTHYBXOO-BLLLJJGKSA-N 1 3 290.382 2.203 10 0 CEAEHO [NH3+]CCC1CCN(C[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090893499 180054916 /nfs/dbraw/zinc/05/49/16/180054916.db2.gz RSVHGYDUKLKUCR-OAHLLOKOSA-N 1 3 278.371 2.190 10 0 CEAEHO CC(C)[N@@H+]1CC[C@@H](CNC[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090892612 180054954 /nfs/dbraw/zinc/05/49/54/180054954.db2.gz VYMNCSAFAGQPJQ-BBRMVZONSA-N 1 3 292.398 2.449 10 0 CEAEHO CC(C)[N@H+]1CC[C@@H](CNC[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090892612 180054958 /nfs/dbraw/zinc/05/49/58/180054958.db2.gz VYMNCSAFAGQPJQ-BBRMVZONSA-N 1 3 292.398 2.449 10 0 CEAEHO CC(C)N1CC[C@@H](C[NH2+]C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090892612 180054960 /nfs/dbraw/zinc/05/49/60/180054960.db2.gz VYMNCSAFAGQPJQ-BBRMVZONSA-N 1 3 292.398 2.449 10 0 CEAEHO CCC[NH2+][C@H](C)CCCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000090906100 180060758 /nfs/dbraw/zinc/06/07/58/180060758.db2.gz GHLQKKBMSOXLII-KFWWJZLASA-N 1 3 254.418 2.408 10 0 CEAEHO CN(Cc1c[nH]c2ncccc12)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000091019878 180088125 /nfs/dbraw/zinc/08/81/25/180088125.db2.gz SGAQWIKMCNZDRF-BXUZGUMPSA-N 1 3 258.369 2.122 10 0 CEAEHO C[N@H+](Cc1c[nH]c2ncccc12)[C@@H]1CCC[C@@H]1CN ZINC000091019878 180088126 /nfs/dbraw/zinc/08/81/26/180088126.db2.gz SGAQWIKMCNZDRF-BXUZGUMPSA-N 1 3 258.369 2.122 10 0 CEAEHO C[N@@H+](Cc1c[nH]c2ncccc12)[C@@H]1CCC[C@@H]1CN ZINC000091019878 180088129 /nfs/dbraw/zinc/08/81/29/180088129.db2.gz SGAQWIKMCNZDRF-BXUZGUMPSA-N 1 3 258.369 2.122 10 0 CEAEHO CCC[C@H]1CCC[N@H+](CC[C@@H]2CNCCO2)CC1 ZINC000091314287 180133833 /nfs/dbraw/zinc/13/38/33/180133833.db2.gz MBYIKUUFUINTOI-LSDHHAIUSA-N 1 3 254.418 2.267 10 0 CEAEHO CCC[C@H]1CCC[N@@H+](CC[C@@H]2CNCCO2)CC1 ZINC000091314287 180133834 /nfs/dbraw/zinc/13/38/34/180133834.db2.gz MBYIKUUFUINTOI-LSDHHAIUSA-N 1 3 254.418 2.267 10 0 CEAEHO C[C@H]([NH3+])c1ccc(NC(=O)N2CCC[C@H](N(C)C)C2)cc1 ZINC000091450414 180157842 /nfs/dbraw/zinc/15/78/42/180157842.db2.gz ZDRHNSHCQJHHAO-WFASDCNBSA-N 1 3 290.411 2.264 10 0 CEAEHO CCc1ccc([C@@H](CN)N2CCC[C@H]([NH+](C)C)C2)s1 ZINC000091395747 180146571 /nfs/dbraw/zinc/14/65/71/180146571.db2.gz WELKXJMOPYUNLS-GXTWGEPZSA-N 1 3 281.469 2.336 10 0 CEAEHO CCC(CC)([C@H](O)Cc1cnccc1N)[NH+]1CCCC1 ZINC000091634496 180210434 /nfs/dbraw/zinc/21/04/34/180210434.db2.gz VVYASSIDIRDWPK-OAHLLOKOSA-N 1 3 277.412 2.222 10 0 CEAEHO CC[NH+](CC)C1(C(=O)Cc2cnccc2N)CCCC1 ZINC000091638635 180212732 /nfs/dbraw/zinc/21/27/32/180212732.db2.gz ZFGWHEWKCJBKJQ-UHFFFAOYSA-N 1 3 275.396 2.430 10 0 CEAEHO C[C@H]1CCC[C@@](C(=O)Cc2c[nH+]ccc2N)(N(C)C)C1 ZINC000091650332 180216291 /nfs/dbraw/zinc/21/62/91/180216291.db2.gz VZYFCEVRQGTGGM-BLLLJJGKSA-N 1 3 275.396 2.286 10 0 CEAEHO CCN(CC(=O)NC1CCC(C)CC1)C1CCC([NH3+])CC1 ZINC000091850752 180271707 /nfs/dbraw/zinc/27/17/07/180271707.db2.gz MKOLSQSTCQTGQW-UHFFFAOYSA-N 1 3 295.471 2.273 10 0 CEAEHO CCC[NH2+]C1CCC(N(C)C[C@H](O)C(F)(F)F)CC1 ZINC000091870006 180277441 /nfs/dbraw/zinc/27/74/41/180277441.db2.gz PMUHJECRLMVJGT-MCIGGMRASA-N 1 3 282.350 2.152 10 0 CEAEHO C[NH2+]C1CCC(N(C)Cc2cncn2C2CC2)CC1 ZINC000091871220 180277485 /nfs/dbraw/zinc/27/74/85/180277485.db2.gz AWYMZBDLVQAQBO-UHFFFAOYSA-N 1 3 262.401 2.180 10 0 CEAEHO CCN(CC)Cc1ccccc1NC(=O)[C@@H](C)C[NH2+]C ZINC000092133733 180331175 /nfs/dbraw/zinc/33/11/75/180331175.db2.gz XNYHVWLJKHIKJP-ZDUSSCGKSA-N 1 3 277.412 2.322 10 0 CEAEHO C[NH2+]C[C@@H](C)C(=O)Nc1ccccc1CN1CCCC1 ZINC000092133788 180331535 /nfs/dbraw/zinc/33/15/35/180331535.db2.gz COPLESNWAYQHKS-CYBMUJFWSA-N 1 3 275.396 2.076 10 0 CEAEHO CNc1ccnc(CN2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000092419152 180382032 /nfs/dbraw/zinc/38/20/32/180382032.db2.gz MAVZWDHFIWPSID-INIZCTEOSA-N 1 3 274.412 2.184 10 0 CEAEHO CCN(CC)CCc1noc([C@H](C(C)C)[C@H](C)[NH3+])n1 ZINC000109496063 186257038 /nfs/dbraw/zinc/25/70/38/186257038.db2.gz MQIGBJAMLSZEFX-WCQYABFASA-N 1 3 268.405 2.041 10 0 CEAEHO CCN(CC)[C@H]1CCN(C(=[NH2+])NC2CCCCC2)C1 ZINC000110368897 186294145 /nfs/dbraw/zinc/29/41/45/186294145.db2.gz BMSHQOMHTIUHKR-AWEZNQCLSA-N 1 3 266.433 2.260 10 0 CEAEHO CCOc1ccc([C@H]([NH3+])CN2CCN(C)C(C)(C)C2)cc1 ZINC000110716536 186316298 /nfs/dbraw/zinc/31/62/98/186316298.db2.gz IEEPHPJDDLMTGQ-MRXNPFEDSA-N 1 3 291.439 2.111 10 0 CEAEHO CC[C@@H]1CN(C[C@@](C)(CC)C[NH2+]C(C)C)CCN1C ZINC000110746513 186318714 /nfs/dbraw/zinc/31/87/14/186318714.db2.gz FREQALNJFLMQSC-CVEARBPZSA-N 1 3 269.477 2.427 10 0 CEAEHO CC(C)[NH2+]Cc1cccc(CN2CCN(C)[C@@H](C)C2)c1 ZINC000110751480 186321672 /nfs/dbraw/zinc/32/16/72/186321672.db2.gz OOTPUVUGSHKNBB-HNNXBMFYSA-N 1 3 275.440 2.321 10 0 CEAEHO C[N@H+](CC1CCOCC1)[C@@H](CCN)c1ccccc1 ZINC000111157527 186362071 /nfs/dbraw/zinc/36/20/71/186362071.db2.gz QIAZRVIZUZELEF-INIZCTEOSA-N 1 3 262.397 2.435 10 0 CEAEHO C[N@@H+](CC1CCOCC1)[C@@H](CCN)c1ccccc1 ZINC000111157527 186362073 /nfs/dbraw/zinc/36/20/73/186362073.db2.gz QIAZRVIZUZELEF-INIZCTEOSA-N 1 3 262.397 2.435 10 0 CEAEHO CC[C@H]([NH3+])[C@@H](c1ccccc1F)N(C)CCN(C)C ZINC000111129689 186356331 /nfs/dbraw/zinc/35/63/31/186356331.db2.gz IGXCMAVIJRQSCT-LSDHHAIUSA-N 1 3 267.392 2.098 10 0 CEAEHO CCC[NH2+][C@H]1c2ccccc2C[C@@H]1N(C)CCN(C)C ZINC000111135523 186356925 /nfs/dbraw/zinc/35/69/25/186356925.db2.gz YDQHKVYUJZIDGU-IRXDYDNUSA-N 1 3 275.440 2.145 10 0 CEAEHO Cc1cc(C)c([C@@H](N)CN(C)CCC[NH+](C)C)c(C)c1 ZINC000111135863 186357772 /nfs/dbraw/zinc/35/77/72/186357772.db2.gz FRNIIYCEOJKXDL-INIZCTEOSA-N 1 3 277.456 2.495 10 0 CEAEHO C[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@@H]1N(C)CCN(C)C ZINC000111135437 186357913 /nfs/dbraw/zinc/35/79/13/186357913.db2.gz ALZPSPKRKPNMGJ-KSZLIROESA-N 1 3 289.467 2.404 10 0 CEAEHO CN(C)CCN(C)C[C@@](C)(C[NH2+]C1CC1)c1ccccc1 ZINC000111146641 186358526 /nfs/dbraw/zinc/35/85/26/186358526.db2.gz SOKKLTBRSVSPLT-GOSISDBHSA-N 1 3 289.467 2.190 10 0 CEAEHO CCN(C[C@@]1(C[NH2+]C2CC2)CCCOC1)C1CC1 ZINC000111324689 186398074 /nfs/dbraw/zinc/39/80/74/186398074.db2.gz SHQLNLVCPGMJGI-HNNXBMFYSA-N 1 3 252.402 2.020 10 0 CEAEHO CC[N@H+](C[C@@]1(CNC2CC2)CCCOC1)C1CC1 ZINC000111324689 186398075 /nfs/dbraw/zinc/39/80/75/186398075.db2.gz SHQLNLVCPGMJGI-HNNXBMFYSA-N 1 3 252.402 2.020 10 0 CEAEHO CC[N@@H+](C[C@@]1(CNC2CC2)CCCOC1)C1CC1 ZINC000111324689 186398076 /nfs/dbraw/zinc/39/80/76/186398076.db2.gz SHQLNLVCPGMJGI-HNNXBMFYSA-N 1 3 252.402 2.020 10 0 CEAEHO CCC[NH2+]C[C@]1(CN(CCC)CCN(C)C)CCCOC1 ZINC000111327467 186398136 /nfs/dbraw/zinc/39/81/36/186398136.db2.gz ZTPXJUZVMYULIY-KRWDZBQOSA-N 1 3 299.503 2.056 10 0 CEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000245428805 370818579 /nfs/dbraw/zinc/81/85/79/370818579.db2.gz JMLLLDRTXNURDW-YHUYYLMFSA-N 1 3 295.471 2.190 10 0 CEAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000245428805 370818583 /nfs/dbraw/zinc/81/85/83/370818583.db2.gz JMLLLDRTXNURDW-YHUYYLMFSA-N 1 3 295.471 2.190 10 0 CEAEHO C[C@H]1CN(Cc2ccc3ncccc3c2)C[C@@H]1C[NH3+] ZINC000635000370 369035971 /nfs/dbraw/zinc/03/59/71/369035971.db2.gz MWSRWJXJTXQOBH-WFASDCNBSA-N 1 3 255.365 2.261 10 0 CEAEHO c1ccc(CN2CCCCC[C@@H](N[C@H]3CC[NH2+]C3)C2)cc1 ZINC000635023070 369059175 /nfs/dbraw/zinc/05/91/75/369059175.db2.gz RLMADAWTROWQGQ-ZWKOTPCHSA-N 1 3 287.451 2.383 10 0 CEAEHO CN(Cc1ccc(-n2cccn2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000231453813 370479398 /nfs/dbraw/zinc/47/93/98/370479398.db2.gz ZKOLCYYIDAENNV-MRXNPFEDSA-N 1 3 284.407 2.446 10 0 CEAEHO COC[C@@H](CCC[NH3+])N[C@@H](C)c1ccc(F)c(F)c1 ZINC000234740785 370541726 /nfs/dbraw/zinc/54/17/26/370541726.db2.gz BQJISDNNIPVCLM-CMPLNLGQSA-N 1 3 272.339 2.369 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc4ncccc4c3)C[C@@H]12 ZINC000261765175 371723856 /nfs/dbraw/zinc/72/38/56/371723856.db2.gz OCTVSOGPCIZWNQ-BZUAXINKSA-N 1 3 267.376 2.404 10 0 CEAEHO COCC[N@H+](C[C@@H]1CCCNC1)[C@@H]1CC[C@@H](C)C1 ZINC000261927688 371773337 /nfs/dbraw/zinc/77/33/37/371773337.db2.gz LEHHLRIKAVTNIE-RBSFLKMASA-N 1 3 254.418 2.123 10 0 CEAEHO COCC[N@@H+](C[C@@H]1CCCNC1)[C@@H]1CC[C@@H](C)C1 ZINC000261927688 371773342 /nfs/dbraw/zinc/77/33/42/371773342.db2.gz LEHHLRIKAVTNIE-RBSFLKMASA-N 1 3 254.418 2.123 10 0 CEAEHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCC(=O)Nc3ccccc32)C1 ZINC000333324885 205219414 /nfs/dbraw/zinc/21/94/14/205219414.db2.gz VBNPYKOVQASYLB-TYNCELHUSA-N 1 3 273.380 2.320 10 0 CEAEHO CC[C@@H]1CCCC[C@@H]1NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333466419 205344746 /nfs/dbraw/zinc/34/47/46/205344746.db2.gz HMTILSQFKZKWTD-OCCSQVGLSA-N 1 3 291.443 2.330 10 0 CEAEHO COc1ccccc1OCCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000564824041 377467256 /nfs/dbraw/zinc/46/72/56/377467256.db2.gz RHQIGCUBWHCDRX-KGLIPLIRSA-N 1 3 278.396 2.052 10 0 CEAEHO Cc1ccc(C[NH2+]CCN2CCN3CCCC[C@@H]3C2)s1 ZINC000094443857 184800232 /nfs/dbraw/zinc/80/02/32/184800232.db2.gz LYFCBJUXFRJSNY-OAHLLOKOSA-N 1 3 293.480 2.316 10 0 CEAEHO C[C@@H]1CN2CCCC[C@@H]2CN1c1ccc(CC[NH3+])cc1 ZINC000094444589 135088966 /nfs/dbraw/zinc/08/89/66/135088966.db2.gz LTIYQZSKTVJUQE-RHSMWYFYSA-N 1 3 273.424 2.251 10 0 CEAEHO c1cc(C[NH2+]C2CC2)nc(N2CCN3CCCC[C@@H]3C2)c1 ZINC000094443216 135088992 /nfs/dbraw/zinc/08/89/92/135088992.db2.gz JMLRPPKIQAAGSQ-MRXNPFEDSA-N 1 3 286.423 2.008 10 0 CEAEHO O[C@@H]1CCCC[C@@H]1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250978763 296563584 /nfs/dbraw/zinc/56/35/84/296563584.db2.gz BCNGRVUWEZIURC-YIDVYQOGSA-N 1 3 266.429 2.048 10 0 CEAEHO O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000251153924 296563637 /nfs/dbraw/zinc/56/36/37/296563637.db2.gz KNEUARUEQWKDPN-ZHCJQAHYSA-N 1 3 280.456 2.438 10 0 CEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000177423532 165199188 /nfs/dbraw/zinc/19/91/88/165199188.db2.gz JMLLLDRTXNURDW-QKPAOTATSA-N 1 3 295.471 2.190 10 0 CEAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000177423532 165199191 /nfs/dbraw/zinc/19/91/91/165199191.db2.gz JMLLLDRTXNURDW-QKPAOTATSA-N 1 3 295.471 2.190 10 0 CEAEHO CC(C)CN1CCN([C@H](C[NH3+])c2cccs2)CC1 ZINC000020179375 171044452 /nfs/dbraw/zinc/04/44/52/171044452.db2.gz WOHFYJUBIWZXCF-CYBMUJFWSA-N 1 3 267.442 2.022 10 0 CEAEHO CC(C)C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C)C1)N(C)C ZINC000037221705 173042397 /nfs/dbraw/zinc/04/23/97/173042397.db2.gz XAWYRTURERWXRS-XHSDSOJGSA-N 1 3 269.477 2.283 10 0 CEAEHO Cc1cccc([C@H](CN)[N@@H+](C)C2CCN(C)CC2)c1C ZINC000043314442 175004052 /nfs/dbraw/zinc/00/40/52/175004052.db2.gz WCWMFOCYJQDDPG-KRWDZBQOSA-N 1 3 275.440 2.329 10 0 CEAEHO Cc1cccc([C@H](CN)[N@H+](C)C2CCN(C)CC2)c1C ZINC000043314442 175004054 /nfs/dbraw/zinc/00/40/54/175004054.db2.gz WCWMFOCYJQDDPG-KRWDZBQOSA-N 1 3 275.440 2.329 10 0 CEAEHO CC[NH2+][C@H](CN(C)C1CCN(C)CC1)C(C)(C)C ZINC000043815313 175112172 /nfs/dbraw/zinc/11/21/72/175112172.db2.gz HLBOVMBAZISCIU-CQSZACIVSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[NH2+][C@H]1c2ccccc2CC[C@@H]1N1CCCN(C)CC1 ZINC000043818463 175112813 /nfs/dbraw/zinc/11/28/13/175112813.db2.gz AVGZFMWQRXJICZ-ROUUACIJSA-N 1 3 287.451 2.290 10 0 CEAEHO C[NH2+][C@H](CN1CCN(C(C)C)CC1)c1ccccc1C ZINC000043896948 175119756 /nfs/dbraw/zinc/11/97/56/175119756.db2.gz HNRJQIJXXRIALQ-QGZVFWFLSA-N 1 3 275.440 2.282 10 0 CEAEHO CCN[C@@](C)(CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000045419354 175377759 /nfs/dbraw/zinc/37/77/59/175377759.db2.gz NCMPGLFULYSGTJ-UXLLHSPISA-N 1 3 295.471 2.132 10 0 CEAEHO CCN[C@@](C)(CCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000045419354 175377760 /nfs/dbraw/zinc/37/77/60/175377760.db2.gz NCMPGLFULYSGTJ-UXLLHSPISA-N 1 3 295.471 2.132 10 0 CEAEHO CC[C@@H]1CCC[C@](C[NH3+])(N2CCN(C(C)C)CC2)C1 ZINC000071123428 176035492 /nfs/dbraw/zinc/03/54/92/176035492.db2.gz YIILNGOWFABQQC-CVEARBPZSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@@H]1CCCC[C@]1(CN)[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000071162214 176046245 /nfs/dbraw/zinc/04/62/45/176046245.db2.gz HTRRETKXEXMOSI-IXDOHACOSA-N 1 3 279.472 2.454 10 0 CEAEHO CC[C@@H]1CCCC[C@]1(CN)[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000071162214 176046246 /nfs/dbraw/zinc/04/62/46/176046246.db2.gz HTRRETKXEXMOSI-IXDOHACOSA-N 1 3 279.472 2.454 10 0 CEAEHO CC[NH2+][C@H]1CCN(C2CCN(Cc3ccccc3)CC2)C1 ZINC000071198102 176076522 /nfs/dbraw/zinc/07/65/22/176076522.db2.gz OXWLSAQOQFNQAZ-KRWDZBQOSA-N 1 3 287.451 2.335 10 0 CEAEHO Cc1nccn1CC[N@H+]1C[C@@H](C(C)C)NC[C@@]1(C)C1CC1 ZINC000071342147 176130497 /nfs/dbraw/zinc/13/04/97/176130497.db2.gz UZRHJYYZTAADGV-IRXDYDNUSA-N 1 3 290.455 2.290 10 0 CEAEHO Cc1nccn1CC[N@@H+]1C[C@@H](C(C)C)NC[C@@]1(C)C1CC1 ZINC000071342147 176130499 /nfs/dbraw/zinc/13/04/99/176130499.db2.gz UZRHJYYZTAADGV-IRXDYDNUSA-N 1 3 290.455 2.290 10 0 CEAEHO Cc1ccc(OCCN(C)C)c(C[NH2+]C(C)C)c1 ZINC000071406662 176156385 /nfs/dbraw/zinc/15/63/85/176156385.db2.gz DIVPPPWXWYEURZ-UHFFFAOYSA-N 1 3 250.386 2.433 10 0 CEAEHO Cc1ccc(OCCN2CCCC2)c(C[C@@H](C)[NH3+])c1 ZINC000071411875 176157424 /nfs/dbraw/zinc/15/74/24/176157424.db2.gz LLUIYFMXRWPMGI-CQSZACIVSA-N 1 3 262.397 2.359 10 0 CEAEHO C[C@@H]1CN(CCCc2ccccc2)C[C@H](CC[NH3+])O1 ZINC000071589153 176217436 /nfs/dbraw/zinc/21/74/36/176217436.db2.gz BKXKMJIRZNGDCZ-ZBFHGGJFSA-N 1 3 262.397 2.057 10 0 CEAEHO CC1(C)[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C[C@@H]1O ZINC000336314851 276162926 /nfs/dbraw/zinc/16/29/26/276162926.db2.gz FEKVLIHMRZZICB-CABCVRRESA-N 1 3 266.429 2.142 10 0 CEAEHO CC1(C)[C@H](NC2CC[NH+](C3CCCC3)CC2)C[C@@H]1O ZINC000336314851 276162927 /nfs/dbraw/zinc/16/29/27/276162927.db2.gz FEKVLIHMRZZICB-CABCVRRESA-N 1 3 266.429 2.142 10 0 CEAEHO CCC[C@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1)N(C)C ZINC000137903222 280069685 /nfs/dbraw/zinc/06/96/85/280069685.db2.gz HDUWSIGUTKKUEE-ZMSDIMECSA-N 1 3 297.487 2.343 10 0 CEAEHO CCC[C@H](C(=O)NCC[C@@H](C)[NH+]1CCCCC1)N(C)C ZINC000183102429 321709708 /nfs/dbraw/zinc/70/97/08/321709708.db2.gz UZZHSQKJUHLMTC-HUUCEWRRSA-N 1 3 283.460 2.097 10 0 CEAEHO CC(C)CNCc1cn(CC[N@@H+](C)CC(C)(C)C)nn1 ZINC000052570126 519748065 /nfs/dbraw/zinc/74/80/65/519748065.db2.gz YTHQGHULYXWUSB-UHFFFAOYSA-N 1 3 281.448 2.002 10 0 CEAEHO CCCN(CCN(C)C)[C@H](C[NH2+]C)c1ccccc1 ZINC000052544284 521657813 /nfs/dbraw/zinc/65/78/13/521657813.db2.gz CPSRUZPDUBTLMU-MRXNPFEDSA-N 1 3 263.429 2.221 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](C[NH3+])c2sccc2C)CC1 ZINC000055064037 522129274 /nfs/dbraw/zinc/12/92/74/522129274.db2.gz SDBKNVAAEVDFKH-KGLIPLIRSA-N 1 3 281.469 2.472 10 0 CEAEHO C(C[N@@H+]1CCC[C@@H]1C1CCCC1)NC1CCOCC1 ZINC000062767795 518388729 /nfs/dbraw/zinc/38/87/29/518388729.db2.gz SJGMJMZKGLWKIG-MRXNPFEDSA-N 1 3 266.429 2.410 10 0 CEAEHO C(C[N@H+]1CCC[C@@H]1C1CCCC1)NC1CCOCC1 ZINC000062767795 518388732 /nfs/dbraw/zinc/38/87/32/518388732.db2.gz SJGMJMZKGLWKIG-MRXNPFEDSA-N 1 3 266.429 2.410 10 0 CEAEHO CC(C)(C)N1CCN([C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069266162 518713567 /nfs/dbraw/zinc/71/35/67/518713567.db2.gz BYYLTNHTKYEXFH-MRXNPFEDSA-N 1 3 273.424 2.247 10 0 CEAEHO CC(C)CC[C@@](C)(C[NH3+])N1CCN(CC(C)C)CC1 ZINC000055078308 519687465 /nfs/dbraw/zinc/68/74/65/519687465.db2.gz NDOLNYWAJMDUTO-INIZCTEOSA-N 1 3 269.477 2.414 10 0 CEAEHO CC(C)CN1CCN(CC[NH2+][C@H]2CCC[C@@H](C)C2)CC1 ZINC000055076028 519726149 /nfs/dbraw/zinc/72/61/49/519726149.db2.gz FFSOTZTZRIINCK-SJORKVTESA-N 1 3 281.488 2.428 10 0 CEAEHO CC(C)CN1CCN([C@@]2(C[NH3+])C[C@@H](C)CC[C@@H]2C)CC1 ZINC000068629278 519727876 /nfs/dbraw/zinc/72/78/76/519727876.db2.gz UAWPOLMDVXZGQX-YESZJQIVSA-N 1 3 281.488 2.414 10 0 CEAEHO CC(C)CN1CCN([C@@H]2C[C@@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000055078701 519728166 /nfs/dbraw/zinc/72/81/66/519728166.db2.gz URDBDEHJLFPFOC-YESZJQIVSA-N 1 3 281.488 2.412 10 0 CEAEHO CC(C)CN1CCN(c2ncccc2C[NH2+]C(C)C)CC1 ZINC000055082455 519728833 /nfs/dbraw/zinc/72/88/33/519728833.db2.gz QAGHKFPPXOGRCY-UHFFFAOYSA-N 1 3 290.455 2.358 10 0 CEAEHO CC(C)CNCc1cn(CC[N@H+](C)CC(C)(C)C)nn1 ZINC000052570126 519748063 /nfs/dbraw/zinc/74/80/63/519748063.db2.gz YTHQGHULYXWUSB-UHFFFAOYSA-N 1 3 281.448 2.002 10 0 CEAEHO CCCN1CCN([C@H](C[NH3+])c2ccc(F)c(C)c2)CC1 ZINC000050545867 519859708 /nfs/dbraw/zinc/85/97/08/519859708.db2.gz VJANZLNAADLGRH-MRXNPFEDSA-N 1 3 279.403 2.162 10 0 CEAEHO CCCN1CCN([C@@H](C[NH3+])c2ccccc2CC)CC1 ZINC000052203369 519859823 /nfs/dbraw/zinc/85/98/23/519859823.db2.gz RQUFSAYDOBQAID-KRWDZBQOSA-N 1 3 275.440 2.276 10 0 CEAEHO CCCN1CCN(c2ccc(Cl)cc2C[NH3+])CC1 ZINC000052856550 519860042 /nfs/dbraw/zinc/86/00/42/519860042.db2.gz MPDQMGQHDODJSJ-UHFFFAOYSA-N 1 3 267.804 2.331 10 0 CEAEHO CCC[NH2+]CCC[C@H](C)N1CCN(C(C)C)CC1 ZINC000052480092 519913073 /nfs/dbraw/zinc/91/30/73/519913073.db2.gz OQUDMGUPEKXZFR-HNNXBMFYSA-N 1 3 255.450 2.181 10 0 CEAEHO CC[NH2+]Cc1cccc(OCCN(C)[C@@H](C)COC)c1 ZINC000052511639 520006109 /nfs/dbraw/zinc/00/61/09/520006109.db2.gz LMQNEHMPYAKEKB-AWEZNQCLSA-N 1 3 280.412 2.142 10 0 CEAEHO CCNCc1oc(CN2CCC[C@@H]2C[NH+](C)C)cc1C ZINC000061654753 520028778 /nfs/dbraw/zinc/02/87/78/520028778.db2.gz VHDIBTPHOBVRPN-CQSZACIVSA-N 1 3 279.428 2.224 10 0 CEAEHO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(CN(C)C)cc1 ZINC000061271126 520068393 /nfs/dbraw/zinc/06/83/93/520068393.db2.gz DBPNHJFIRRTTQN-LBPRGKRZSA-N 1 3 263.385 2.075 10 0 CEAEHO CCC[NH2+][C@H]1CCCC[C@H]1N1CCC[C@@H]1CN(C)C ZINC000061643763 520092004 /nfs/dbraw/zinc/09/20/04/520092004.db2.gz CUUCVROYUXTJIQ-OWCLPIDISA-N 1 3 267.461 2.323 10 0 CEAEHO CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1CN(C)C[C@@H](C)O ZINC000054560652 520122034 /nfs/dbraw/zinc/12/20/34/520122034.db2.gz TWVMCQIOBJVZPR-QKPAOTATSA-N 1 3 270.461 2.349 10 0 CEAEHO CC[NH+](CC)Cc1cccc(NC(=O)C(C)(C)NC)c1 ZINC000061316390 520757125 /nfs/dbraw/zinc/75/71/25/520757125.db2.gz ISNIOPOMWRDPAM-UHFFFAOYSA-N 1 3 277.412 2.465 10 0 CEAEHO CCC[C@@H]1CC[C@H](N)[C@H]([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061643450 520829452 /nfs/dbraw/zinc/82/94/52/520829452.db2.gz NRPMUHVPTBLTQJ-LVQVYYBASA-N 1 3 267.461 2.309 10 0 CEAEHO CCC[C@@H]1CC[C@H](N)[C@H]([N@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061643450 520829457 /nfs/dbraw/zinc/82/94/57/520829457.db2.gz NRPMUHVPTBLTQJ-LVQVYYBASA-N 1 3 267.461 2.309 10 0 CEAEHO CCC[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)N(C)C ZINC000164273863 520971335 /nfs/dbraw/zinc/97/13/35/520971335.db2.gz YGQGLQBLUZNINL-MRXNPFEDSA-N 1 3 295.471 2.051 10 0 CEAEHO CC1CCN(CC2(C[NH2+]C3CC3)CCOCC2)CC1 ZINC000052180633 520998865 /nfs/dbraw/zinc/99/88/65/520998865.db2.gz DLXPWCZIQQCBMW-UHFFFAOYSA-N 1 3 266.429 2.267 10 0 CEAEHO CC1CC[NH+](CC2(CNC3CC3)CCOCC2)CC1 ZINC000052180633 520998872 /nfs/dbraw/zinc/99/88/72/520998872.db2.gz DLXPWCZIQQCBMW-UHFFFAOYSA-N 1 3 266.429 2.267 10 0 CEAEHO CCC[C@H](CN1CCN([C@H](C)CC)CC1)[NH2+]CC ZINC000055065013 521100230 /nfs/dbraw/zinc/10/02/30/521100230.db2.gz KAEXALFUDBNREW-HUUCEWRRSA-N 1 3 255.450 2.181 10 0 CEAEHO CCN(Cc1cccs1)CC1(C[NH3+])CCOCC1 ZINC000052183462 521408370 /nfs/dbraw/zinc/40/83/70/521408370.db2.gz VTXHGOQNAIAVLC-UHFFFAOYSA-N 1 3 268.426 2.326 10 0 CEAEHO CC[N@H+](Cc1cccs1)CC1(CN)CCOCC1 ZINC000052183462 521408376 /nfs/dbraw/zinc/40/83/76/521408376.db2.gz VTXHGOQNAIAVLC-UHFFFAOYSA-N 1 3 268.426 2.326 10 0 CEAEHO CC[N@@H+](Cc1cccs1)CC1(CN)CCOCC1 ZINC000052183462 521408387 /nfs/dbraw/zinc/40/83/87/521408387.db2.gz VTXHGOQNAIAVLC-UHFFFAOYSA-N 1 3 268.426 2.326 10 0 CEAEHO CCC[NH+](CCC)CCn1cc(CNCC(C)C)nn1 ZINC000052416794 521648369 /nfs/dbraw/zinc/64/83/69/521648369.db2.gz GGLBSJDFWTZTLK-UHFFFAOYSA-N 1 3 281.448 2.146 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H]2CCCCC[C@@H]2[NH2+]C)CC1 ZINC000055065222 522129622 /nfs/dbraw/zinc/12/96/22/522129622.db2.gz FJXZYARLLQWEOD-OWCLPIDISA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H]2CCCCC[C@@H]2[NH2+]C)CC1 ZINC000055065227 522131067 /nfs/dbraw/zinc/13/10/67/522131067.db2.gz FJXZYARLLQWEOD-PMPSAXMXSA-N 1 3 267.461 2.323 10 0 CEAEHO C[NH2+]Cc1coc(CN2CCN(C3CCCC3)CC2)c1 ZINC000052573518 522148568 /nfs/dbraw/zinc/14/85/68/522148568.db2.gz ADKKJNJSQLVQGD-UHFFFAOYSA-N 1 3 277.412 2.059 10 0 CEAEHO CC[C@H]([NH3+])[C@H](c1ccncc1)N1CCN(CC(C)C)CC1 ZINC000055077048 522347226 /nfs/dbraw/zinc/34/72/26/522347226.db2.gz NCSIWUINCAFIKB-IRXDYDNUSA-N 1 3 290.455 2.134 10 0 CEAEHO C[NH2+][C@@H]1CCc2c1cccc2OCCN1CCCC1 ZINC000062799044 522398315 /nfs/dbraw/zinc/39/83/15/522398315.db2.gz SROWEFZTUAFNRY-OAHLLOKOSA-N 1 3 260.381 2.368 10 0 CEAEHO CC[C@@H](CC[NH3+])N1CCN(CCC(C)(C)C)CC1 ZINC000049254426 522496666 /nfs/dbraw/zinc/49/66/66/522496666.db2.gz LUVWQFDBLLRUGT-AWEZNQCLSA-N 1 3 255.450 2.168 10 0 CEAEHO CN(Cc1cccnc1C(N)=[NH2+])CC1CCCCC1 ZINC000061658197 523420364 /nfs/dbraw/zinc/42/03/64/523420364.db2.gz IFYGQLVOZOBLSR-UHFFFAOYSA-N 1 3 260.385 2.378 10 0 CEAEHO COCCN(C)CCn1c(C)cc2c1CC(C)(C)C[C@@H]2[NH3+] ZINC000061380801 523617026 /nfs/dbraw/zinc/61/70/26/523617026.db2.gz LNASFFXWAGTSLT-HNNXBMFYSA-N 1 3 293.455 2.347 10 0 CEAEHO CC[C@H](C)N1CCN(CC2(C[NH3+])CCCCC2)CC1 ZINC000055072020 523952795 /nfs/dbraw/zinc/95/27/95/523952795.db2.gz KSZMDZXNWFQENE-HNNXBMFYSA-N 1 3 267.461 2.312 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@H](C)C[NH2+]C(C)C)CC1 ZINC000055074722 523955115 /nfs/dbraw/zinc/95/51/15/523955115.db2.gz LYRJHTHJKQVICC-CABCVRRESA-N 1 3 255.450 2.037 10 0 CEAEHO C[C@@H]1CCCC[C@H]1[NH2+]CCN1CCC[C@@H]1CN(C)C ZINC000061655240 524172335 /nfs/dbraw/zinc/17/23/35/524172335.db2.gz HLYKZQWPKJZXNO-BZUAXINKSA-N 1 3 267.461 2.181 10 0 CEAEHO C[C@@H]([NH3+])[C@@H](c1ccccn1)N1CCN(C2CCCC2)CC1 ZINC000052060384 525006476 /nfs/dbraw/zinc/00/64/76/525006476.db2.gz BMSSBTJIROJQJI-PBHICJAKSA-N 1 3 288.439 2.030 10 0 CEAEHO C[C@@H](N)[C@H]([N@@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050514058 525017350 /nfs/dbraw/zinc/01/73/50/525017350.db2.gz ICXKGIAZPOIDDM-HIFRSBDPSA-N 1 3 264.413 2.243 10 0 CEAEHO C[C@@H](N)[C@H]([N@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050514058 525017343 /nfs/dbraw/zinc/01/73/43/525017343.db2.gz ICXKGIAZPOIDDM-HIFRSBDPSA-N 1 3 264.413 2.243 10 0 CEAEHO Cc1ccccc1[C@@H]([NH3+])CN1CCN(CC(C)C)CC1 ZINC000055078991 525367816 /nfs/dbraw/zinc/36/78/16/525367816.db2.gz JFQGTSPGYONFDX-KRWDZBQOSA-N 1 3 275.440 2.268 10 0 CEAEHO Cc1cn2c(C[NH2+][C@@H](C)CCN(C)C)c(C)nc2s1 ZINC000049553914 525916190 /nfs/dbraw/zinc/91/61/90/525916190.db2.gz QCXSNQHSMSJTPW-JTQLQIEISA-N 1 3 280.441 2.442 10 0 CEAEHO c1ccc(CN2CCN(C3CC3)CC2)c(C[NH2+]C2CC2)c1 ZINC000052371421 526470208 /nfs/dbraw/zinc/47/02/08/526470208.db2.gz GXOYOWQTXPYQNU-UHFFFAOYSA-N 1 3 285.435 2.219 10 0 CEAEHO CC(C)(CCN1CCN(c2ccccc2F)CC1)C(N)=[NH2+] ZINC000087593517 535028468 /nfs/dbraw/zinc/02/84/68/535028468.db2.gz UXCDFKSJXBFZCP-UHFFFAOYSA-N 1 3 292.402 2.300 10 0 CEAEHO CC[C@@H](C)N1CCN(c2ccc(CC[NH3+])cc2)CC1 ZINC000104280126 535566559 /nfs/dbraw/zinc/56/65/59/535566559.db2.gz ZFHZZXJUBRODNQ-CQSZACIVSA-N 1 3 261.413 2.108 10 0 CEAEHO C1CC1[NH+]1CCC2(CC1)N[C@H]1CCCC[C@H]1CO2 ZINC000757138107 574510105 /nfs/dbraw/zinc/51/01/05/574510105.db2.gz ASHIXBZKTMVZQD-JSGCOSHPSA-N 1 3 250.386 2.120 10 0 CEAEHO CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037042501 361890202 /nfs/dbraw/zinc/89/02/02/361890202.db2.gz PEYWGOMEIDOGFQ-RISCZKNCSA-N 1 3 263.385 2.060 10 0 CEAEHO CCC[C@@H]1CNC(C)(C)C[N@@H+]1CCn1ccnc1C ZINC000085469562 179074831 /nfs/dbraw/zinc/07/48/31/179074831.db2.gz PCTTUXRLJPLZNQ-CQSZACIVSA-N 1 3 264.417 2.044 10 0 CEAEHO CCC[C@@H]1CNC(C)(C)C[N@H+]1CCn1ccnc1C ZINC000085469562 179074834 /nfs/dbraw/zinc/07/48/34/179074834.db2.gz PCTTUXRLJPLZNQ-CQSZACIVSA-N 1 3 264.417 2.044 10 0 CEAEHO Cc1nccn1CC[N@@H+]1C[C@@H](C2CC2)NCC12CCCC2 ZINC000085529080 179091005 /nfs/dbraw/zinc/09/10/05/179091005.db2.gz GLIGBVLAABZJEI-INIZCTEOSA-N 1 3 288.439 2.188 10 0 CEAEHO Cc1nccn1CC[N@H+]1C[C@@H](C2CC2)NCC12CCCC2 ZINC000085529080 179091006 /nfs/dbraw/zinc/09/10/06/179091006.db2.gz GLIGBVLAABZJEI-INIZCTEOSA-N 1 3 288.439 2.188 10 0 CEAEHO CCOCCN1CC2(CCCCC2)[NH2+]CC[C@@H]1C ZINC000085620768 179105660 /nfs/dbraw/zinc/10/56/60/179105660.db2.gz NJTGGCGECGTCQT-AWEZNQCLSA-N 1 3 254.418 2.410 10 0 CEAEHO CCOCC[N@@H+]1CC2(CCCCC2)NCC[C@@H]1C ZINC000085620768 179105662 /nfs/dbraw/zinc/10/56/62/179105662.db2.gz NJTGGCGECGTCQT-AWEZNQCLSA-N 1 3 254.418 2.410 10 0 CEAEHO CCOCC[N@H+]1CC2(CCCCC2)NCC[C@@H]1C ZINC000085620768 179105664 /nfs/dbraw/zinc/10/56/64/179105664.db2.gz NJTGGCGECGTCQT-AWEZNQCLSA-N 1 3 254.418 2.410 10 0 CEAEHO CCN1CCC[C@@H](N2CC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086143112 179237667 /nfs/dbraw/zinc/23/76/67/179237667.db2.gz VWIWCSKGSHEYCK-SJORKVTESA-N 1 3 279.472 2.325 10 0 CEAEHO CCN1CC[C@@H](C[N@@H+]2C[C@H](C(C)C)NC[C@@H]2C(C)C)C1 ZINC000086171838 179243731 /nfs/dbraw/zinc/24/37/31/179243731.db2.gz ZWDJAZIYFMYXLL-BRWVUGGUSA-N 1 3 281.488 2.283 10 0 CEAEHO CCN1CC[C@@H](C[N@H+]2C[C@H](C(C)C)NC[C@@H]2C(C)C)C1 ZINC000086171838 179243732 /nfs/dbraw/zinc/24/37/32/179243732.db2.gz ZWDJAZIYFMYXLL-BRWVUGGUSA-N 1 3 281.488 2.283 10 0 CEAEHO CC[C@H](C)[C@H]1CN([C@@H]2CCN(C3CC3)C2)[C@@H](CC)C[NH2+]1 ZINC000086173848 179244795 /nfs/dbraw/zinc/24/47/95/179244795.db2.gz DOYYFNQAINNHNT-XJNFMUPTSA-N 1 3 279.472 2.322 10 0 CEAEHO C[C@H]1CNC2(CCCCC2)C[N@@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182575 179247975 /nfs/dbraw/zinc/24/79/75/179247975.db2.gz FMISZQHYWKHTHV-GOEBONIOSA-N 1 3 277.456 2.077 10 0 CEAEHO C[C@H]1CNC2(CCCCC2)C[N@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182575 179247977 /nfs/dbraw/zinc/24/79/77/179247977.db2.gz FMISZQHYWKHTHV-GOEBONIOSA-N 1 3 277.456 2.077 10 0 CEAEHO C[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1[C@@H]1CN2CCC1CC2 ZINC000086182587 179247669 /nfs/dbraw/zinc/24/76/69/179247669.db2.gz ODYSDKZAQFTGOT-FHLIZLRMSA-N 1 3 291.483 2.323 10 0 CEAEHO CC[C@@]1(C)C[N@H+]([C@@H]2CCN(C3CC3)C2)[C@H](C(C)C)CN1 ZINC000086259596 179258269 /nfs/dbraw/zinc/25/82/69/179258269.db2.gz PJDKVFQODQMQJL-IKGGRYGDSA-N 1 3 279.472 2.322 10 0 CEAEHO CC[C@@]1(C)C[N@@H+]([C@@H]2CCN(C3CC3)C2)[C@H](C(C)C)CN1 ZINC000086259596 179258271 /nfs/dbraw/zinc/25/82/71/179258271.db2.gz PJDKVFQODQMQJL-IKGGRYGDSA-N 1 3 279.472 2.322 10 0 CEAEHO CC(C)[C@@H]1CN[C@H](C2CC2)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259223 179258656 /nfs/dbraw/zinc/25/86/56/179258656.db2.gz OLRRCYQUADKSIX-PVAVHDDUSA-N 1 3 279.472 2.037 10 0 CEAEHO CC(C)[C@@H]1CN[C@H](C2CC2)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259223 179258658 /nfs/dbraw/zinc/25/86/58/179258658.db2.gz OLRRCYQUADKSIX-PVAVHDDUSA-N 1 3 279.472 2.037 10 0 CEAEHO CC[C@H]1C[NH2+][C@](C)(CC)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259630 179259095 /nfs/dbraw/zinc/25/90/95/179259095.db2.gz GMIXWBXCYXNFQK-NUEKZKHPSA-N 1 3 265.445 2.076 10 0 CEAEHO CC[C@H]1CN[C@](C)(CC)C[N@@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259630 179259096 /nfs/dbraw/zinc/25/90/96/179259096.db2.gz GMIXWBXCYXNFQK-NUEKZKHPSA-N 1 3 265.445 2.076 10 0 CEAEHO CC[C@H]1CN[C@](C)(CC)C[N@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259630 179259098 /nfs/dbraw/zinc/25/90/98/179259098.db2.gz GMIXWBXCYXNFQK-NUEKZKHPSA-N 1 3 265.445 2.076 10 0 CEAEHO CN1CCC[C@H](N2CCC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086288944 179264843 /nfs/dbraw/zinc/26/48/43/179264843.db2.gz RLFUZLCVOSYRSE-IRXDYDNUSA-N 1 3 279.472 2.325 10 0 CEAEHO C[N@@H+]1CCC[C@@H](NCCOC2CCCCC2)CC1 ZINC000086819130 179348631 /nfs/dbraw/zinc/34/86/31/179348631.db2.gz YCTSAAIYXODFSR-CQSZACIVSA-N 1 3 254.418 2.410 10 0 CEAEHO C[N@H+]1CCC[C@@H](NCCOC2CCCCC2)CC1 ZINC000086819130 179348632 /nfs/dbraw/zinc/34/86/32/179348632.db2.gz YCTSAAIYXODFSR-CQSZACIVSA-N 1 3 254.418 2.410 10 0 CEAEHO CCCN1CCC[C@@](CN)([N@H+](CC)C(C)C)CC1 ZINC000086846714 179355749 /nfs/dbraw/zinc/35/57/49/179355749.db2.gz ZDAJXCDHIQRGCY-OAHLLOKOSA-N 1 3 255.450 2.310 10 0 CEAEHO CCCN1CCC[C@@](CN)([N@@H+](CC)C(C)C)CC1 ZINC000086846714 179355751 /nfs/dbraw/zinc/35/57/51/179355751.db2.gz ZDAJXCDHIQRGCY-OAHLLOKOSA-N 1 3 255.450 2.310 10 0 CEAEHO CCN1CCC[C@](CN)([NH+]2CCC(C)(C)CC2)CC1 ZINC000086848520 179356243 /nfs/dbraw/zinc/35/62/43/179356243.db2.gz YQPMFVZFCNJDRA-INIZCTEOSA-N 1 3 267.461 2.312 10 0 CEAEHO CCN1CCC[C@@](CN)([NH+]2CCC(C)(C)CC2)CC1 ZINC000086848518 179357209 /nfs/dbraw/zinc/35/72/09/179357209.db2.gz YQPMFVZFCNJDRA-MRXNPFEDSA-N 1 3 267.461 2.312 10 0 CEAEHO CCC[N@@H+]1CCC[C@H](NCCc2ccccn2)CC1 ZINC000086835414 179350356 /nfs/dbraw/zinc/35/03/56/179350356.db2.gz NWWBTAGKULXZGZ-INIZCTEOSA-N 1 3 261.413 2.478 10 0 CEAEHO CCC[N@H+]1CCC[C@H](NCCc2ccccn2)CC1 ZINC000086835414 179350360 /nfs/dbraw/zinc/35/03/60/179350360.db2.gz NWWBTAGKULXZGZ-INIZCTEOSA-N 1 3 261.413 2.478 10 0 CEAEHO CCCN1CCC[C@H]([NH2+]CCc2ccccn2)CC1 ZINC000086835414 179350362 /nfs/dbraw/zinc/35/03/62/179350362.db2.gz NWWBTAGKULXZGZ-INIZCTEOSA-N 1 3 261.413 2.478 10 0 CEAEHO CC[N@@H+]1CCC[C@H](Nc2cnccc2N(C)C)CC1 ZINC000086837875 179351643 /nfs/dbraw/zinc/35/16/43/179351643.db2.gz MMPPJQPMWHLBTL-ZDUSSCGKSA-N 1 3 262.401 2.434 10 0 CEAEHO CC[N@H+]1CCC[C@H](Nc2cnccc2N(C)C)CC1 ZINC000086837875 179351644 /nfs/dbraw/zinc/35/16/44/179351644.db2.gz MMPPJQPMWHLBTL-ZDUSSCGKSA-N 1 3 262.401 2.434 10 0 CEAEHO CCN1CCC[C@H]([NH2+]CCCOCC2CC2)CC1 ZINC000086836824 179351858 /nfs/dbraw/zinc/35/18/58/179351858.db2.gz WBPZRQSYIYFZHP-HNNXBMFYSA-N 1 3 254.418 2.267 10 0 CEAEHO CCN1CCC([NH2+][C@@H]2CCCN(C(C)C)CC2)CC1 ZINC000086842247 179352534 /nfs/dbraw/zinc/35/25/34/179352534.db2.gz TXRACDIZYWZIEL-OAHLLOKOSA-N 1 3 267.461 2.323 10 0 CEAEHO CC(C)N1CCC[C@H]([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000086842230 179353775 /nfs/dbraw/zinc/35/37/75/179353775.db2.gz HCWRGCGGSKTHSB-GJZGRUSLSA-N 1 3 254.418 2.408 10 0 CEAEHO CCOC(=O)CCCN[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086845737 179354300 /nfs/dbraw/zinc/35/43/00/179354300.db2.gz XKQFUECFAQIYBN-AWEZNQCLSA-N 1 3 270.417 2.182 10 0 CEAEHO CCOC(=O)CCCN[C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086845737 179354301 /nfs/dbraw/zinc/35/43/01/179354301.db2.gz XKQFUECFAQIYBN-AWEZNQCLSA-N 1 3 270.417 2.182 10 0 CEAEHO CCOC(=O)CCC[NH2+][C@H]1CCCN(C(C)C)CC1 ZINC000086845737 179354303 /nfs/dbraw/zinc/35/43/03/179354303.db2.gz XKQFUECFAQIYBN-AWEZNQCLSA-N 1 3 270.417 2.182 10 0 CEAEHO CC[N@@H+]1CCC[C@@H](NCCc2nccs2)CC1 ZINC000086844781 179354451 /nfs/dbraw/zinc/35/44/51/179354451.db2.gz QICJLMQPMRYTPF-GFCCVEGCSA-N 1 3 253.415 2.150 10 0 CEAEHO CC[N@H+]1CCC[C@@H](NCCc2nccs2)CC1 ZINC000086844781 179354452 /nfs/dbraw/zinc/35/44/52/179354452.db2.gz QICJLMQPMRYTPF-GFCCVEGCSA-N 1 3 253.415 2.150 10 0 CEAEHO CCN1CCC[C@@H]([NH2+]CCc2nccs2)CC1 ZINC000086844781 179354453 /nfs/dbraw/zinc/35/44/53/179354453.db2.gz QICJLMQPMRYTPF-GFCCVEGCSA-N 1 3 253.415 2.150 10 0 CEAEHO CCN1CCC[C@](CN)([N@H+](C)C2CCCCC2)CC1 ZINC000086846331 179355260 /nfs/dbraw/zinc/35/52/60/179355260.db2.gz HSHCUAPNERQYIZ-INIZCTEOSA-N 1 3 267.461 2.454 10 0 CEAEHO CCN1CCC[C@](CN)([N@@H+](C)C2CCCCC2)CC1 ZINC000086846331 179355262 /nfs/dbraw/zinc/35/52/62/179355262.db2.gz HSHCUAPNERQYIZ-INIZCTEOSA-N 1 3 267.461 2.454 10 0 CEAEHO CCCN1CCN([C@@]2(C[NH3+])CCC[C@@H](C)CC2)CC1 ZINC000086890468 179366224 /nfs/dbraw/zinc/36/62/24/179366224.db2.gz MPGGXKYQANDNQC-CVEARBPZSA-N 1 3 267.461 2.312 10 0 CEAEHO CC[C@@H]1CCC[C@@](CN)([N@@H+]2CC[C@H](N(C)C)C2)CC1 ZINC000086913413 179366844 /nfs/dbraw/zinc/36/68/44/179366844.db2.gz WUBWHLMJNBIEHF-OWCLPIDISA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@@H]1CCC[C@@](CN)([N@H+]2CC[C@H](N(C)C)C2)CC1 ZINC000086913413 179366847 /nfs/dbraw/zinc/36/68/47/179366847.db2.gz WUBWHLMJNBIEHF-OWCLPIDISA-N 1 3 267.461 2.310 10 0 CEAEHO CC1CCC(O)(C[NH2+]CCCN2CCCC2)CC1 ZINC000087062320 179389418 /nfs/dbraw/zinc/38/94/18/179389418.db2.gz AMSZPRROHVFGQT-UHFFFAOYSA-N 1 3 254.418 2.003 10 0 CEAEHO CC1CCC(O)(CNCCC[NH+]2CCCC2)CC1 ZINC000087062320 179389420 /nfs/dbraw/zinc/38/94/20/179389420.db2.gz AMSZPRROHVFGQT-UHFFFAOYSA-N 1 3 254.418 2.003 10 0 CEAEHO C[C@H]([NH3+])CCC[C@H](C)C(=O)NCCN1CCCCCC1 ZINC000087698844 179472646 /nfs/dbraw/zinc/47/26/46/179472646.db2.gz QKTWDTBCIFIHNG-GJZGRUSLSA-N 1 3 283.460 2.132 10 0 CEAEHO CC(C)CN1CCN(C[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000087621143 179456253 /nfs/dbraw/zinc/45/62/53/179456253.db2.gz PZIYMDWLDVDVKK-KRWDZBQOSA-N 1 3 287.451 2.147 10 0 CEAEHO [NH3+]C[C@@H]1CCC[C@@H]1N1CCC(C(F)(F)F)CC1 ZINC000088417851 179597030 /nfs/dbraw/zinc/59/70/30/179597030.db2.gz FOTXPAQZPKNSIJ-ONGXEEELSA-N 1 3 250.308 2.388 10 0 CEAEHO C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCC[C@@H]1CN ZINC000089149667 179725445 /nfs/dbraw/zinc/72/54/45/179725445.db2.gz HQCTYFBRBQRABR-XPKDYRNWSA-N 1 3 262.397 2.430 10 0 CEAEHO COC[C@@H](CCC[NH3+])N[C@@H](C)c1cc(F)ccc1F ZINC000234740165 539735022 /nfs/dbraw/zinc/73/50/22/539735022.db2.gz VAVKMPIYUWDHBZ-CMPLNLGQSA-N 1 3 272.339 2.369 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[NH2+]C1CCCCCC1 ZINC000090566252 180006072 /nfs/dbraw/zinc/00/60/72/180006072.db2.gz HQDCHPXOOOMKEK-DZGCQCFKSA-N 1 3 254.418 2.313 10 0 CEAEHO CCCN[C@H]1COC[C@@H]1C[N@H+](CCOC)C(CC)CC ZINC000090566571 180006414 /nfs/dbraw/zinc/00/64/14/180006414.db2.gz OHLXFIMDKJQNKN-HOCLYGCPSA-N 1 3 286.460 2.138 10 0 CEAEHO CCCN[C@H]1COC[C@@H]1C[N@@H+](CCOC)C(CC)CC ZINC000090566571 180006415 /nfs/dbraw/zinc/00/64/15/180006415.db2.gz OHLXFIMDKJQNKN-HOCLYGCPSA-N 1 3 286.460 2.138 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[N@@H+]1CCCCC[C@@H]1C ZINC000090567058 180006663 /nfs/dbraw/zinc/00/66/63/180006663.db2.gz OJZVDNZRZJSVCK-RRFJBIMHSA-N 1 3 254.418 2.266 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[N@H+]1CCCCC[C@@H]1C ZINC000090567058 180006665 /nfs/dbraw/zinc/00/66/65/180006665.db2.gz OJZVDNZRZJSVCK-RRFJBIMHSA-N 1 3 254.418 2.266 10 0 CEAEHO CCC[NH2+][C@@H](C)CCCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000090906099 180060723 /nfs/dbraw/zinc/06/07/23/180060723.db2.gz GHLQKKBMSOXLII-SOUVJXGZSA-N 1 3 254.418 2.408 10 0 CEAEHO CC(C)C[NH2+]CC[C@](C)(O)[C@H]1NCCc2ccccc21 ZINC000091502884 180175392 /nfs/dbraw/zinc/17/53/92/180175392.db2.gz FRZQLRHBESJHID-IRXDYDNUSA-N 1 3 276.424 2.260 10 0 CEAEHO C[NH+](C)[C@@H]1CCCN([C@@H](CN)c2ccccc2Cl)C1 ZINC000091393042 180145476 /nfs/dbraw/zinc/14/54/76/180145476.db2.gz GDJOHWBNDGUNGK-DOMZBBRYSA-N 1 3 281.831 2.366 10 0 CEAEHO CC[NH2+][C@H](C)C(C)(C)CN(CCO)C1CCCC1 ZINC000091403822 180147319 /nfs/dbraw/zinc/14/73/19/180147319.db2.gz DDJZMZNKFZLGJR-CYBMUJFWSA-N 1 3 256.434 2.248 10 0 CEAEHO CCN[C@H](C)C(C)(C)C[N@H+](CCO)C1CCCC1 ZINC000091403822 180147321 /nfs/dbraw/zinc/14/73/21/180147321.db2.gz DDJZMZNKFZLGJR-CYBMUJFWSA-N 1 3 256.434 2.248 10 0 CEAEHO CCN[C@H](C)C(C)(C)C[N@@H+](CCO)C1CCCC1 ZINC000091403822 180147322 /nfs/dbraw/zinc/14/73/22/180147322.db2.gz DDJZMZNKFZLGJR-CYBMUJFWSA-N 1 3 256.434 2.248 10 0 CEAEHO CC[NH2+][C@H](C)C(C)(C)CN1CCN(C)C(C)(C)C1 ZINC000091405128 180147413 /nfs/dbraw/zinc/14/74/13/180147413.db2.gz MXSVLKOZIMILKM-CYBMUJFWSA-N 1 3 255.450 2.037 10 0 CEAEHO CCC(CC)(C(=O)Cc1c[nH+]ccc1N)N1CCCC1 ZINC000091634273 180210331 /nfs/dbraw/zinc/21/03/31/180210331.db2.gz MZJYMTPZTGHELS-UHFFFAOYSA-N 1 3 275.396 2.430 10 0 CEAEHO CC[NH2+]C1CCC(N(C)[C@@H](C)C(=O)N(CC)CC)CC1 ZINC000091870352 180276840 /nfs/dbraw/zinc/27/68/40/180276840.db2.gz VXXWGPZYEOCUIJ-NFOMZHRRSA-N 1 3 283.460 2.096 10 0 CEAEHO CCN1CCC(O)([C@]2(C[NH3+])CCCc3ccccc32)CC1 ZINC000091906292 180283964 /nfs/dbraw/zinc/28/39/64/180283964.db2.gz LMTKEMLONXWLGY-KRWDZBQOSA-N 1 3 288.435 2.066 10 0 CEAEHO CCN(Cc1nc(C)ccc1O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000091996216 180301723 /nfs/dbraw/zinc/30/17/23/180301723.db2.gz MQCUDIQTVGMYLJ-OCCSQVGLSA-N 1 3 263.385 2.045 10 0 CEAEHO CC(C)NCc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccn1 ZINC000092003349 180304997 /nfs/dbraw/zinc/30/49/97/180304997.db2.gz POXIHCDYBSHJDG-WBVHZDCISA-N 1 3 288.439 2.253 10 0 CEAEHO CC(C)NCc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)ccn1 ZINC000092003349 180304998 /nfs/dbraw/zinc/30/49/98/180304998.db2.gz POXIHCDYBSHJDG-WBVHZDCISA-N 1 3 288.439 2.253 10 0 CEAEHO CC(C)[N@@H+]1CC[C@H](CNC[C@@H]2COc3ccccc32)C1 ZINC000092300544 180358639 /nfs/dbraw/zinc/35/86/39/180358639.db2.gz UMEQQQYGCFNRTD-HUUCEWRRSA-N 1 3 274.408 2.483 10 0 CEAEHO CC(C)[N@H+]1CC[C@H](CNC[C@@H]2COc3ccccc32)C1 ZINC000092300544 180358641 /nfs/dbraw/zinc/35/86/41/180358641.db2.gz UMEQQQYGCFNRTD-HUUCEWRRSA-N 1 3 274.408 2.483 10 0 CEAEHO CC(C)N1CC[C@H](C[NH2+]C[C@@H]2COc3ccccc32)C1 ZINC000092300544 180358643 /nfs/dbraw/zinc/35/86/43/180358643.db2.gz UMEQQQYGCFNRTD-HUUCEWRRSA-N 1 3 274.408 2.483 10 0 CEAEHO CC[C@H](CC[NH3+])N1CCCN(Cc2cccc(C)n2)CC1 ZINC000092427846 180383738 /nfs/dbraw/zinc/38/37/38/180383738.db2.gz USBGUUFIGALCNS-QGZVFWFLSA-N 1 3 290.455 2.025 10 0 CEAEHO CCOc1ccccc1[C@H](C[NH3+])N1CCN(C)[C@@H](CC)C1 ZINC000107915919 186197591 /nfs/dbraw/zinc/19/75/91/186197591.db2.gz KRPJLOUPYLUIMS-HOCLYGCPSA-N 1 3 291.439 2.111 10 0 CEAEHO CNCc1cc(N2CC[C@H]([NH+](C)C)C2)c2ccccc2n1 ZINC000109589603 186264679 /nfs/dbraw/zinc/26/46/79/186264679.db2.gz JTLYJCVHHHYCDQ-AWEZNQCLSA-N 1 3 284.407 2.095 10 0 CEAEHO CCOC(=O)C1CCN([C@@H]2CCCCC[C@H]2C[NH3+])CC1 ZINC000109603641 186266934 /nfs/dbraw/zinc/26/69/34/186266934.db2.gz SJPGBTGEOKZXQE-LSDHHAIUSA-N 1 3 282.428 2.169 10 0 CEAEHO CCOC(=O)C1CC[NH+]([C@@H]2CCCCC[C@H]2CN)CC1 ZINC000109603641 186266936 /nfs/dbraw/zinc/26/69/36/186266936.db2.gz SJPGBTGEOKZXQE-LSDHHAIUSA-N 1 3 282.428 2.169 10 0 CEAEHO NC[C@]1([NH+]2CCC3(CCCCC3)CC2)CCOC1 ZINC000109431853 186252460 /nfs/dbraw/zinc/25/24/60/186252460.db2.gz CAJACCPUYGNMOM-OAHLLOKOSA-N 1 3 252.402 2.151 10 0 CEAEHO CCN1CCN([C@@H](C[NH3+])c2ccc(Cl)cc2)C[C@@H]1C ZINC000110921072 186332390 /nfs/dbraw/zinc/33/23/90/186332390.db2.gz QZCRYWKBHALFQM-WFASDCNBSA-N 1 3 281.831 2.366 10 0 CEAEHO Cc1ccc([C@H](C[NH3+])N2CCN(C(C)C)CC2)cc1F ZINC000110977153 186338900 /nfs/dbraw/zinc/33/89/00/186338900.db2.gz OPOHRESGRJMUSS-INIZCTEOSA-N 1 3 279.403 2.160 10 0 CEAEHO Cc1ccc([C@H]([C@@H](C)[NH3+])N2CCN(C)C(C)(C)C2)cc1 ZINC000110704647 186314852 /nfs/dbraw/zinc/31/48/52/186314852.db2.gz GQMPDXLOUSKUNO-ZBFHGGJFSA-N 1 3 275.440 2.409 10 0 CEAEHO CCC[NH2+][C@H](CN1CCN(C)C(C)(C)C1)C(C)(C)C ZINC000110717255 186315653 /nfs/dbraw/zinc/31/56/53/186315653.db2.gz ZNXRQLJZAKBGTE-CQSZACIVSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@@H]1CN(CC[NH2+]CCCC(C)C)CCN1C ZINC000110757481 186320102 /nfs/dbraw/zinc/32/01/02/186320102.db2.gz QRHYMDIBKAURDH-OAHLLOKOSA-N 1 3 255.450 2.038 10 0 CEAEHO CC[C@H]([NH3+])[C@@H](c1cccc(F)c1)N(C)CCN(C)C ZINC000111129993 186356202 /nfs/dbraw/zinc/35/62/02/186356202.db2.gz XKOQBFSEBYUZBG-LSDHHAIUSA-N 1 3 267.392 2.098 10 0 CEAEHO CC[C@@H](C)C[C@@](CC)(CN)[N@H+](C)CCCN(C)C ZINC000111133858 186356364 /nfs/dbraw/zinc/35/63/64/186356364.db2.gz GGVMGNGDTXBJNP-CABCVRRESA-N 1 3 257.466 2.414 10 0 CEAEHO CC[C@@H](C)C[C@@](CC)(CN)[N@@H+](C)CCCN(C)C ZINC000111133858 186356365 /nfs/dbraw/zinc/35/63/65/186356365.db2.gz GGVMGNGDTXBJNP-CABCVRRESA-N 1 3 257.466 2.414 10 0 CEAEHO CCCOc1cccc([C@H](CN)N(C)CCC[NH+](C)C)c1 ZINC000111133817 186356455 /nfs/dbraw/zinc/35/64/55/186356455.db2.gz NLPXRPITDNCXRX-KRWDZBQOSA-N 1 3 293.455 2.359 10 0 CEAEHO CN(CCC[NH+](C)C)[C@@H](CN)c1ccccc1Cl ZINC000111131734 186356746 /nfs/dbraw/zinc/35/67/46/186356746.db2.gz RSNQHQDMIVGNBK-AWEZNQCLSA-N 1 3 269.820 2.223 10 0 CEAEHO Cc1ccc([C@H](CN)N(C)CCC[NH+](C)C)cc1F ZINC000111133552 186356754 /nfs/dbraw/zinc/35/67/54/186356754.db2.gz UHJDZWQLJYIGFC-HNNXBMFYSA-N 1 3 267.392 2.017 10 0 CEAEHO CCc1ccc([C@H](CN(C)CCN(C)C)[NH2+]C)cc1 ZINC000111134419 186357152 /nfs/dbraw/zinc/35/71/52/186357152.db2.gz HOOLSWMGSOGEBB-INIZCTEOSA-N 1 3 263.429 2.003 10 0 CEAEHO C[NH2+][C@H]1CC[C@H](c2ccccc2)C[C@@H]1N(C)CCN(C)C ZINC000111135439 186357754 /nfs/dbraw/zinc/35/77/54/186357754.db2.gz ALZPSPKRKPNMGJ-BZSNNMDCSA-N 1 3 289.467 2.404 10 0 CEAEHO CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1N(C)CCN(C)C ZINC000111135159 186357853 /nfs/dbraw/zinc/35/78/53/186357853.db2.gz RHFLEELXYFENHQ-JYJNAYRXSA-N 1 3 269.477 2.427 10 0 CEAEHO C[NH2+][C@@H](c1ccccc1)C(C)(C)CN(C)CCN(C)C ZINC000111147085 186358998 /nfs/dbraw/zinc/35/89/98/186358998.db2.gz FQMODGDWHIJMES-INIZCTEOSA-N 1 3 277.456 2.467 10 0 CEAEHO CCC[C@@]1(CN(C)CC2CCOCC2)CC[NH2+]C1 ZINC000111179358 186366457 /nfs/dbraw/zinc/36/64/57/186366457.db2.gz GRXVVTIGABYPRB-OAHLLOKOSA-N 1 3 254.418 2.125 10 0 CEAEHO C[C@@H]([NH2+]CCc1ccc(F)cc1)[C@H]1CCCNC1 ZINC000578303816 366473124 /nfs/dbraw/zinc/47/31/24/366473124.db2.gz ULPRXLMFFZZMMN-OCCSQVGLSA-N 1 3 250.361 2.346 10 0 CEAEHO C[C@@H](NCCc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000578303816 366473128 /nfs/dbraw/zinc/47/31/28/366473128.db2.gz ULPRXLMFFZZMMN-OCCSQVGLSA-N 1 3 250.361 2.346 10 0 CEAEHO Cc1cc(C)cc(OCCN2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631843664 367586509 /nfs/dbraw/zinc/58/65/09/367586509.db2.gz RIOZBCJQKNCGAH-GJZGRUSLSA-N 1 3 262.397 2.209 10 0 CEAEHO C[C@H]1CN(CCCOc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000631842623 367583364 /nfs/dbraw/zinc/58/33/64/367583364.db2.gz CTTDDKRSKVHHFW-STQMWFEESA-N 1 3 266.360 2.121 10 0 CEAEHO C[C@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@@H]1CN ZINC000631842623 367583366 /nfs/dbraw/zinc/58/33/66/367583366.db2.gz CTTDDKRSKVHHFW-STQMWFEESA-N 1 3 266.360 2.121 10 0 CEAEHO C[C@H]1C[N@@H+](CCCOc2ccc(F)cc2)C[C@@H]1CN ZINC000631842623 367583368 /nfs/dbraw/zinc/58/33/68/367583368.db2.gz CTTDDKRSKVHHFW-STQMWFEESA-N 1 3 266.360 2.121 10 0 CEAEHO C[C@@H]1CN(CCC(=O)Nc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000631841913 367584407 /nfs/dbraw/zinc/58/44/07/367584407.db2.gz RQKKXOAHVCSUQG-NEPJUHHUSA-N 1 3 295.814 2.195 10 0 CEAEHO C[C@H]1CN(CCOc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000631843192 367586253 /nfs/dbraw/zinc/58/62/53/367586253.db2.gz KDZOZLPHZKITGN-NWDGAFQWSA-N 1 3 268.788 2.245 10 0 CEAEHO CCO[C@H]1C[C@@H]([NH2+]CCCN(CC)CC)C12CCOCC2 ZINC000186193675 368934723 /nfs/dbraw/zinc/93/47/23/368934723.db2.gz MGJYMRWKBPCMKH-CVEARBPZSA-N 1 3 298.471 2.282 10 0 CEAEHO CCO[C@H]1C[C@@H](NCCC[NH+](CC)CC)C12CCOCC2 ZINC000186193675 368934727 /nfs/dbraw/zinc/93/47/27/368934727.db2.gz MGJYMRWKBPCMKH-CVEARBPZSA-N 1 3 298.471 2.282 10 0 CEAEHO CCOCCN1CCN(c2cc[nH+]cc2C)C[C@@H]1CC ZINC000191980683 369760193 /nfs/dbraw/zinc/76/01/93/369760193.db2.gz NQYBMFGINWCXFO-HNNXBMFYSA-N 1 3 277.412 2.327 10 0 CEAEHO [NH3+][C@@H]1CC[C@H]2CN(CCSc3ccccc3)C[C@@H]12 ZINC000261558241 371645650 /nfs/dbraw/zinc/64/56/50/371645650.db2.gz DBNBYFAWUNPPNB-NWANDNLSSA-N 1 3 262.422 2.448 10 0 CEAEHO COc1cccc([C@H](C)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261579379 371659903 /nfs/dbraw/zinc/65/99/03/371659903.db2.gz DTURRIKELYQHGP-DLKVLKDVSA-N 1 3 260.381 2.425 10 0 CEAEHO c1ccc2c(c1)nccc2N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261582939 371661505 /nfs/dbraw/zinc/66/15/05/371661505.db2.gz GXLKZASANFZNMP-INIZCTEOSA-N 1 3 253.349 2.425 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cnc4ccccc4c3)C[C@@H]12 ZINC000261789390 371732813 /nfs/dbraw/zinc/73/28/13/371732813.db2.gz QHXPBIVYRXKXIJ-BZUAXINKSA-N 1 3 267.376 2.404 10 0 CEAEHO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCCNC1 ZINC000261793863 371733615 /nfs/dbraw/zinc/73/36/15/371733615.db2.gz OSEUCLYXSCCCQX-HNSVSWJLSA-N 1 3 288.439 2.130 10 0 CEAEHO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCCNC1 ZINC000261793863 371733623 /nfs/dbraw/zinc/73/36/23/371733623.db2.gz OSEUCLYXSCCCQX-HNSVSWJLSA-N 1 3 288.439 2.130 10 0 CEAEHO Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C[C@H]1CCC[NH2+]C1 ZINC000261793863 371733632 /nfs/dbraw/zinc/73/36/32/371733632.db2.gz OSEUCLYXSCCCQX-HNSVSWJLSA-N 1 3 288.439 2.130 10 0 CEAEHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@H]1CCCC[C@H](c2ccccc2)C1 ZINC000263234357 371932934 /nfs/dbraw/zinc/93/29/34/371932934.db2.gz NUQSZGDMVBWXHY-XWTMOSNGSA-N 1 3 288.435 2.273 10 0 CEAEHO CCC[NH+]1CCC(N(C)C(=O)[C@@]2(N)CCC[C@H](C)C2)CC1 ZINC000080924663 177730054 /nfs/dbraw/zinc/73/00/54/177730054.db2.gz YMYDNUNKUQSUJC-WMLDXEAASA-N 1 3 295.471 2.227 10 0 CEAEHO c1ccc2c(c1)nccc2N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261612420 285526299 /nfs/dbraw/zinc/52/62/99/285526299.db2.gz SPQMTWKCVZTQGD-OCCSQVGLSA-N 1 3 253.349 2.423 10 0 CEAEHO [NH3+]C[C@@H]1CCC[C@H]1CN1CCN(c2ccccc2F)CC1 ZINC000089482840 135059345 /nfs/dbraw/zinc/05/93/45/135059345.db2.gz KPUAGKGHWWZXQR-GJZGRUSLSA-N 1 3 291.414 2.323 10 0 CEAEHO NCc1c(F)cccc1N1CC[NH+](C2CCCC2)CC1 ZINC000093395425 135080367 /nfs/dbraw/zinc/08/03/67/135080367.db2.gz SYJDMLYVYMCPRE-UHFFFAOYSA-N 1 3 277.387 2.349 10 0 CEAEHO [NH3+]Cc1c(Cl)cccc1N1CCN2CCCC[C@@H]2C1 ZINC000094438319 135087856 /nfs/dbraw/zinc/08/78/56/135087856.db2.gz KTRCAOQNBGDNKE-GFCCVEGCSA-N 1 3 279.815 2.473 10 0 CEAEHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(CN(C)C)cc1 ZINC000384436399 395193749 /nfs/dbraw/zinc/19/37/49/395193749.db2.gz XGQGTLRLNDYNKD-SWLSCSKDSA-N 1 3 275.396 2.075 10 0 CEAEHO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000397497664 395223192 /nfs/dbraw/zinc/22/31/92/395223192.db2.gz CRTDCABMGGPSTC-OWCLPIDISA-N 1 3 282.472 2.494 10 0 CEAEHO COC[C@@]1(CNc2ccnc3ccccc32)CCC[NH2+]1 ZINC000261684060 153807907 /nfs/dbraw/zinc/80/79/07/153807907.db2.gz HEZZSJKTELZJCA-INIZCTEOSA-N 1 3 271.364 2.415 10 0 CEAEHO Cc1ccc([C@H](C[NH3+])N2CCN(CC(C)C)CC2)cc1 ZINC000020179484 171044271 /nfs/dbraw/zinc/04/42/71/171044271.db2.gz CJFBICMIRMUSJK-KRWDZBQOSA-N 1 3 275.440 2.268 10 0 CEAEHO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2CN)C1 ZINC000022156492 171362992 /nfs/dbraw/zinc/36/29/92/171362992.db2.gz MAKXYQYZOXQWPZ-CYBMUJFWSA-N 1 3 275.396 2.206 10 0 CEAEHO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2CN)C1 ZINC000022156492 171362993 /nfs/dbraw/zinc/36/29/93/171362993.db2.gz MAKXYQYZOXQWPZ-CYBMUJFWSA-N 1 3 275.396 2.206 10 0 CEAEHO CCN1CCC[C@H]([C@@H](C)[NH2+]C[C@@H]2CCCOC2)C1 ZINC000038044620 174052532 /nfs/dbraw/zinc/05/25/32/174052532.db2.gz DXKDXXZADJWQDJ-ILXRZTDVSA-N 1 3 254.418 2.123 10 0 CEAEHO CC[C@H]([NH3+])[C@@H](c1ccncc1)N(CCN(C)C)CC(C)C ZINC000043354819 175022043 /nfs/dbraw/zinc/02/20/43/175022043.db2.gz NPDOSACJLVIANA-DLBZAZTESA-N 1 3 292.471 2.380 10 0 CEAEHO Cc1ccc([C@H]([C@@H](C)[NH3+])N(CCN(C)C)CC(C)C)o1 ZINC000043365379 175026084 /nfs/dbraw/zinc/02/60/84/175026084.db2.gz VWVGTHFOXQAVSX-ZBFHGGJFSA-N 1 3 281.444 2.496 10 0 CEAEHO C[NH2+][C@@H]1c2ccccc2CC[C@@H]1N(C)C1CCN(C)CC1 ZINC000043815260 175111498 /nfs/dbraw/zinc/11/14/98/175111498.db2.gz YLQUCCQMXWAAPQ-ZWKOTPCHSA-N 1 3 287.451 2.288 10 0 CEAEHO CCC[NH2+][C@H](CC)[C@H](C)N(C)C1CCN(C)CC1 ZINC000043815445 175112242 /nfs/dbraw/zinc/11/22/42/175112242.db2.gz IJFBJYOIKLNREI-DZGCQCFKSA-N 1 3 255.450 2.179 10 0 CEAEHO C[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965506 175127392 /nfs/dbraw/zinc/12/73/92/175127392.db2.gz ANCYSIYHICDSMD-DLBZAZTESA-N 1 3 287.451 2.288 10 0 CEAEHO CCCC(C[NH3+])(CCC)C(=O)NCCN1CCCCC1 ZINC000044806735 175256498 /nfs/dbraw/zinc/25/64/98/175256498.db2.gz UYLHIEBQIJFPNV-UHFFFAOYSA-N 1 3 283.460 2.134 10 0 CEAEHO C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)N(C)CC(C)(C)C ZINC000045068429 175300175 /nfs/dbraw/zinc/30/01/75/175300175.db2.gz DGTACIGUILYHJY-LBPRGKRZSA-N 1 3 277.412 2.450 10 0 CEAEHO C[NH2+][C@H](C)c1ccc(NC(=O)NC[C@@H](C)N(C)C)cc1 ZINC000045113967 175311145 /nfs/dbraw/zinc/31/11/45/175311145.db2.gz ZCNZUEPZAZFVEP-VXGBXAGGSA-N 1 3 278.400 2.039 10 0 CEAEHO CC(C)N1CC[C@@H](C[NH2+]CCCOCC(F)(F)F)C1 ZINC000045134753 175312742 /nfs/dbraw/zinc/31/27/42/175312742.db2.gz MQJKMYQEVSYSDE-LBPRGKRZSA-N 1 3 282.350 2.275 10 0 CEAEHO Cc1cnc(CCN[C@H](C)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000656200061 415635741 /nfs/dbraw/zinc/63/57/41/415635741.db2.gz IXGBQESELCTUNX-CABCVRRESA-N 1 3 261.413 2.219 10 0 CEAEHO CC[C@H]1CCC[C@@](CN)([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000071124610 176035202 /nfs/dbraw/zinc/03/52/02/176035202.db2.gz AQRSEHPGXXGZDG-ARFHVFGLSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@H]1CCC[C@@](CN)([N@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000071124610 176035203 /nfs/dbraw/zinc/03/52/03/176035203.db2.gz AQRSEHPGXXGZDG-ARFHVFGLSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@H]1CCC[C@](C[NH3+])(N2CCN(CC3CC3)CC2)C1 ZINC000071123899 176035393 /nfs/dbraw/zinc/03/53/93/176035393.db2.gz KHWSCCJYFKKDGO-RDJZCZTQSA-N 1 3 279.472 2.312 10 0 CEAEHO CC[C@@H]1CCCC[C@]1(C[NH3+])N(CCOC)C1CC1 ZINC000071161894 176046565 /nfs/dbraw/zinc/04/65/65/176046565.db2.gz WCSGAWSWYLCRJB-UKRRQHHQSA-N 1 3 254.418 2.395 10 0 CEAEHO CN1CC[C@@H](C[N@H+](C)CC[C@H](N)c2cccc(F)c2)C1 ZINC000071191257 176070019 /nfs/dbraw/zinc/07/00/19/176070019.db2.gz LKMMAFOYQGXUEG-CJNGLKHVSA-N 1 3 279.403 2.099 10 0 CEAEHO CN1CC[C@@H](C[N@@H+](C)CC[C@H](N)c2cccc(F)c2)C1 ZINC000071191257 176070020 /nfs/dbraw/zinc/07/00/20/176070020.db2.gz LKMMAFOYQGXUEG-CJNGLKHVSA-N 1 3 279.403 2.099 10 0 CEAEHO Cc1oc(CN(C)C[C@H]2CC[N@H+](C)C2)cc1CNC1CC1 ZINC000071191951 176071752 /nfs/dbraw/zinc/07/17/52/176071752.db2.gz KHJQIAVTNZWMEK-AWEZNQCLSA-N 1 3 291.439 2.224 10 0 CEAEHO Cc1oc(CN(C)C[C@H]2CC[N@@H+](C)C2)cc1CNC1CC1 ZINC000071191951 176071754 /nfs/dbraw/zinc/07/17/54/176071754.db2.gz KHJQIAVTNZWMEK-AWEZNQCLSA-N 1 3 291.439 2.224 10 0 CEAEHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccnc2ccccc12 ZINC000666743895 419411506 /nfs/dbraw/zinc/41/15/06/419411506.db2.gz LRQQTASULZFOGG-IUODEOHRSA-N 1 3 255.365 2.452 10 0 CEAEHO CC(C)N1CCN(CC[NH2+]CC2CCCCC2)CC1 ZINC000053382735 519682547 /nfs/dbraw/zinc/68/25/47/519682547.db2.gz XPJBTLMFSXCVRB-UHFFFAOYSA-N 1 3 267.461 2.182 10 0 CEAEHO CC(C)C[NH2+]CCCCCN1CCN(C2CC2)CC1 ZINC000052371378 519743253 /nfs/dbraw/zinc/74/32/53/519743253.db2.gz WBNQZSBZRWYTCU-UHFFFAOYSA-N 1 3 267.461 2.182 10 0 CEAEHO CC[NH2+]CCCCCN1CCN([C@H](C)CC)CC1 ZINC000055074416 519919419 /nfs/dbraw/zinc/91/94/19/519919419.db2.gz FUWKIKMMLDEVIQ-OAHLLOKOSA-N 1 3 255.450 2.182 10 0 CEAEHO CCC[NH2+]Cc1sc(N(C)[C@H]2CCCN(C)C2)nc1C ZINC000054998286 519974438 /nfs/dbraw/zinc/97/44/38/519974438.db2.gz ONVPLPZNSQWLFJ-ZDUSSCGKSA-N 1 3 296.484 2.482 10 0 CEAEHO CCN(CC)CCc1nc(C)c([C@H](C)C[NH3+])c(C)n1 ZINC000054837045 520711893 /nfs/dbraw/zinc/71/18/93/520711893.db2.gz LMBJVVAZQRBDGG-LLVKDONJSA-N 1 3 264.417 2.040 10 0 CEAEHO CCN1CCC(N(C)c2ncc([C@@H](C)[NH3+])s2)CC1 ZINC000054897688 521568809 /nfs/dbraw/zinc/56/88/09/521568809.db2.gz RKEPUSFGNSZLSD-SNVBAGLBSA-N 1 3 268.430 2.083 10 0 CEAEHO C[NH2+]C[C@H]1CC[C@@H](CN(Cc2ccsc2)C2CC2)O1 ZINC000052542133 522093454 /nfs/dbraw/zinc/09/34/54/522093454.db2.gz VCCVBOJDPGYLQY-CABCVRRESA-N 1 3 280.437 2.480 10 0 CEAEHO C[C@H](NCCc1cccc2cccnc21)[C@@H]1CC[NH2+]C1 ZINC000400331545 533872469 /nfs/dbraw/zinc/87/24/69/533872469.db2.gz BZYXDPXNTBCDDZ-XJKSGUPXSA-N 1 3 269.392 2.365 10 0 CEAEHO CC[C@@H](C[NH2+]C(C)C)N1CCN(CC(C)C)CC1 ZINC000055083003 522544389 /nfs/dbraw/zinc/54/43/89/522544389.db2.gz DOJYSRRUDSKICX-HNNXBMFYSA-N 1 3 255.450 2.037 10 0 CEAEHO C(CN1CCN(C2CCCC2)CC1)[NH2+]CC1CCCC1 ZINC000053388914 518390011 /nfs/dbraw/zinc/39/00/11/518390011.db2.gz DJMQRJHWPKCOAR-UHFFFAOYSA-N 1 3 279.472 2.326 10 0 CEAEHO CC(C)(C)[NH2+]CC1(CN2CCCC2)CCOCC1 ZINC000052180651 518753956 /nfs/dbraw/zinc/75/39/56/518753956.db2.gz NRAITXDPGNLMKJ-UHFFFAOYSA-N 1 3 254.418 2.267 10 0 CEAEHO CC(C)CN1CCN(CC[NH2+][C@H]2CCCC[C@H]2C)CC1 ZINC000055076097 519726123 /nfs/dbraw/zinc/72/61/23/519726123.db2.gz MYLRSZHHZJSVND-SJORKVTESA-N 1 3 281.488 2.428 10 0 CEAEHO CC(C)[NH2+]Cc1ccc(CN2CCN(CC3CC3)CC2)o1 ZINC000052372449 519726555 /nfs/dbraw/zinc/72/65/55/519726555.db2.gz PTFSMTDHBZCFDB-UHFFFAOYSA-N 1 3 291.439 2.305 10 0 CEAEHO CCCN1CCN(C[C@@H]2C[C@@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054559447 519858520 /nfs/dbraw/zinc/85/85/20/519858520.db2.gz YNLMSIZZWMTLDD-ULQDDVLXSA-N 1 3 281.488 2.414 10 0 CEAEHO CCC[NH2+]CC1(CN(CCC)CCN(C)C)CCOCC1 ZINC000052183222 519910043 /nfs/dbraw/zinc/91/00/43/519910043.db2.gz CBWQAOLXOWSLAR-UHFFFAOYSA-N 1 3 299.503 2.056 10 0 CEAEHO CCC[NH2+]Cc1ccc(OCCOCCN(C)C)cc1 ZINC000052669684 519952265 /nfs/dbraw/zinc/95/22/65/519952265.db2.gz LUVSZSRVBMRQNV-UHFFFAOYSA-N 1 3 280.412 2.143 10 0 CEAEHO CC[NH2+]Cc1cccc(OCCN2CCC(OC)CC2)c1 ZINC000052455274 520006852 /nfs/dbraw/zinc/00/68/52/520006852.db2.gz ZIBCQLFIJHUIAB-UHFFFAOYSA-N 1 3 292.423 2.286 10 0 CEAEHO CC[NH2+]Cc1ccoc1CN1CCN(C(C)(C)C)CC1 ZINC000052571615 520009997 /nfs/dbraw/zinc/00/99/97/520009997.db2.gz FHACEWRNGLWTTE-UHFFFAOYSA-N 1 3 279.428 2.305 10 0 CEAEHO CCC[NH2+][C@@H]1CCC[C@@H]1CN(CCO)C1CCCC1 ZINC000053875181 520019681 /nfs/dbraw/zinc/01/96/81/520019681.db2.gz UBPRTKGVQGNGEK-GDBMZVCRSA-N 1 3 268.445 2.392 10 0 CEAEHO CCC[NH2+][C@H](C)c1cnc(N2CCCN(C)CC2)s1 ZINC000054899139 520067709 /nfs/dbraw/zinc/06/77/09/520067709.db2.gz MJQQCFXUKWRGKU-GFCCVEGCSA-N 1 3 282.457 2.346 10 0 CEAEHO CCC[NH2+][C@H]1CCC[C@@H]1N1CCN([C@@H](C)CC)CC1 ZINC000055066065 520092833 /nfs/dbraw/zinc/09/28/33/520092833.db2.gz AFVGASNFJIYJMV-JYJNAYRXSA-N 1 3 267.461 2.323 10 0 CEAEHO CCC[NH2+][C@H]1CCC[C@@H]1CN1CCN(CC(C)C)CC1 ZINC000055081866 520093076 /nfs/dbraw/zinc/09/30/76/520093076.db2.gz RICBKRGGFQXQKJ-SJORKVTESA-N 1 3 281.488 2.428 10 0 CEAEHO CCCCC[NH2+]C[C@H](C)N1CCN(CC2CC2)CC1 ZINC000053498550 520224742 /nfs/dbraw/zinc/22/47/42/520224742.db2.gz TVYPDCDNRIKWSS-HNNXBMFYSA-N 1 3 267.461 2.182 10 0 CEAEHO CCCOc1cccc([C@H](C[NH3+])N2CCCN(C)CC2)c1 ZINC000052920922 520466522 /nfs/dbraw/zinc/46/65/22/520466522.db2.gz IOIMEZSYPANFFO-KRWDZBQOSA-N 1 3 291.439 2.113 10 0 CEAEHO CCCCN(CC1(C[NH2+]C)CCOCC1)C1CC1 ZINC000052182592 520484665 /nfs/dbraw/zinc/48/46/65/520484665.db2.gz KUGLBKSFFYFFDB-UHFFFAOYSA-N 1 3 254.418 2.267 10 0 CEAEHO CCCC[N@H+](CC1(CNC)CCOCC1)C1CC1 ZINC000052182592 520484676 /nfs/dbraw/zinc/48/46/76/520484676.db2.gz KUGLBKSFFYFFDB-UHFFFAOYSA-N 1 3 254.418 2.267 10 0 CEAEHO CCCC[N@@H+](CC1(CNC)CCOCC1)C1CC1 ZINC000052182592 520484684 /nfs/dbraw/zinc/48/46/84/520484684.db2.gz KUGLBKSFFYFFDB-UHFFFAOYSA-N 1 3 254.418 2.267 10 0 CEAEHO CCN(CC)CCC[NH2+]CCCOCC(F)(F)F ZINC000049312228 520622927 /nfs/dbraw/zinc/62/29/27/520622927.db2.gz NGKUOLVAOKXYRJ-UHFFFAOYSA-N 1 3 270.339 2.277 10 0 CEAEHO CCC[C@@H](C)[NH2+]CCN1CCN([C@@H](C)CC)CC1 ZINC000055075345 520666682 /nfs/dbraw/zinc/66/66/82/520666682.db2.gz ZIPZHKCBVWTGRB-CABCVRRESA-N 1 3 255.450 2.181 10 0 CEAEHO CCC[C@@H](C)[C@H](C[NH3+])N1CCN(CC(C)C)CC1 ZINC000055078075 520674185 /nfs/dbraw/zinc/67/41/85/520674185.db2.gz PGUNHWJMSPAJNV-CABCVRRESA-N 1 3 255.450 2.024 10 0 CEAEHO CC[NH+](CC)CCOc1ccc(CNCCOC)cc1 ZINC000062729036 520697976 /nfs/dbraw/zinc/69/79/76/520697976.db2.gz SGTBSGVXNUWMGK-UHFFFAOYSA-N 1 3 280.412 2.143 10 0 CEAEHO CCC(C)(C)[N@H+](C)C1(CN)C[C@H]2CC[C@@H](C1)N2C ZINC000069430254 521300016 /nfs/dbraw/zinc/30/00/16/521300016.db2.gz XVOYDCMEWMRUAE-NNQSOWQGSA-N 1 3 253.434 2.061 10 0 CEAEHO CCC(C)(C)[N@@H+](C)C1(CN)C[C@H]2CC[C@@H](C1)N2C ZINC000069430254 521300024 /nfs/dbraw/zinc/30/00/24/521300024.db2.gz XVOYDCMEWMRUAE-NNQSOWQGSA-N 1 3 253.434 2.061 10 0 CEAEHO CCN(Cc1ccoc1C[NH2+]C1CC1)[C@@H](C)COC ZINC000052504834 521424950 /nfs/dbraw/zinc/42/49/50/521424950.db2.gz IQRBZTDHBQQRHQ-LBPRGKRZSA-N 1 3 266.385 2.388 10 0 CEAEHO CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055147771 521555669 /nfs/dbraw/zinc/55/56/69/521555669.db2.gz VEGZXWNGDCPNCD-HUUCEWRRSA-N 1 3 295.471 2.084 10 0 CEAEHO CCN1CCC(N(C)c2nc3c(s2)[C@@H]([NH3+])CCC3)CC1 ZINC000054897685 521567066 /nfs/dbraw/zinc/56/70/66/521567066.db2.gz FPVFXUAWDGBLDD-LBPRGKRZSA-N 1 3 294.468 2.400 10 0 CEAEHO CCC(CC)[NH2+]CCN1CCN(CC(C)C)CC1 ZINC000055075996 521596008 /nfs/dbraw/zinc/59/60/08/521596008.db2.gz UKLXNJXYPQSZMF-UHFFFAOYSA-N 1 3 255.450 2.038 10 0 CEAEHO CCCN(CCN(C)C)[C@@H](C)CC[NH2+]C(C)(C)C ZINC000052544301 521658126 /nfs/dbraw/zinc/65/81/26/521658126.db2.gz QNRKVPIMNAJOJR-AWEZNQCLSA-N 1 3 257.466 2.427 10 0 CEAEHO CCCN(CCN(C)C)[C@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000045663756 521658847 /nfs/dbraw/zinc/65/88/47/521658847.db2.gz WQNUACXOXWLUHZ-CJNGLKHVSA-N 1 3 281.419 2.488 10 0 CEAEHO C[NH+](C)C[C@H]1CCCN1c1c(CN)cnc2ccccc21 ZINC000061641591 521873406 /nfs/dbraw/zinc/87/34/06/521873406.db2.gz VXNDQAMGJCDIQO-CQSZACIVSA-N 1 3 284.407 2.224 10 0 CEAEHO C[NH2+]C[C@@H]1CC[C@H](CN(C)Cc2cccc(F)c2)O1 ZINC000052425378 522060266 /nfs/dbraw/zinc/06/02/66/522060266.db2.gz GXITTYJDEJBNGY-LSDHHAIUSA-N 1 3 266.360 2.025 10 0 CEAEHO CC[C@@H](C)N1CCN(CCC[NH2+]C(C)(C)C)CC1 ZINC000055069226 522118226 /nfs/dbraw/zinc/11/82/26/522118226.db2.gz RUFWWFYIPTWLPU-CQSZACIVSA-N 1 3 255.450 2.181 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000055083466 522123832 /nfs/dbraw/zinc/12/38/32/522123832.db2.gz TXOHDUHOHARMAB-QZWWFDLISA-N 1 3 279.472 2.323 10 0 CEAEHO CC[C@H](CC[NH3+])N1CCN(CCC(C)(C)C)CC1 ZINC000049254430 522127025 /nfs/dbraw/zinc/12/70/25/522127025.db2.gz LUVWQFDBLLRUGT-CQSZACIVSA-N 1 3 255.450 2.168 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C[NH3+])c2sccc2C)CC1 ZINC000055064040 522131441 /nfs/dbraw/zinc/13/14/41/522131441.db2.gz SDBKNVAAEVDFKH-ZIAGYGMSSA-N 1 3 281.469 2.472 10 0 CEAEHO C[NH2+]Cc1ccccc1CN(C)CCc1ccccn1 ZINC000052423990 522133597 /nfs/dbraw/zinc/13/35/97/522133597.db2.gz BRVPQYBGNPWUSG-UHFFFAOYSA-N 1 3 269.392 2.476 10 0 CEAEHO CC[C@@H](C)N1CCN(c2nc(C)cc(C)c2C[NH3+])CC1 ZINC000055063361 522137622 /nfs/dbraw/zinc/13/76/22/522137622.db2.gz TUKDWMAKNYMDIT-CQSZACIVSA-N 1 3 276.428 2.078 10 0 CEAEHO CNCc1oc2ccccc2c1COCC[NH+](C)C ZINC000052669573 522159343 /nfs/dbraw/zinc/15/93/43/522159343.db2.gz XPFXOGGMQKSIIW-UHFFFAOYSA-N 1 3 262.353 2.230 10 0 CEAEHO CC[C@@H](C)[NH2+]C[C@@H](C)N1CCN(CC(C)C)CC1 ZINC000055075900 522227850 /nfs/dbraw/zinc/22/78/50/522227850.db2.gz CYKROUVJHSLXJH-HUUCEWRRSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@@H]([NH2+]C)C(C)(C)C)CC1 ZINC000055065220 523953899 /nfs/dbraw/zinc/95/38/99/523953899.db2.gz KDKARGWBQBALTF-UONOGXRCSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@@H]([NH3+])c2ccccc2C)CC1 ZINC000055065416 523954842 /nfs/dbraw/zinc/95/48/42/523954842.db2.gz BBJVGCHAVCQMHQ-DOTOQJQBSA-N 1 3 275.440 2.411 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000055083439 523956033 /nfs/dbraw/zinc/95/60/33/523956033.db2.gz BXAYSRFOZCFKGA-YJBOKZPZSA-N 1 3 287.451 2.290 10 0 CEAEHO CC[C@H](C)N1CCN(Cc2ccc(C[NH3+])cc2F)CC1 ZINC000055064269 523957270 /nfs/dbraw/zinc/95/72/70/523957270.db2.gz ZAJJWWVKXYPTEX-ZDUSSCGKSA-N 1 3 279.403 2.201 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H]2CCc3ccccc3[C@@H]2[NH3+])CC1 ZINC000055065305 523958069 /nfs/dbraw/zinc/95/80/69/523958069.db2.gz FMTIIXVSXBTDMH-QGTPRVQTSA-N 1 3 287.451 2.417 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C[NH3+])c2ccccc2C)CC1 ZINC000055064089 523959501 /nfs/dbraw/zinc/95/95/01/523959501.db2.gz LBBVFGQRRLFVOF-DOTOQJQBSA-N 1 3 275.440 2.411 10 0 CEAEHO C[C@@H](CCC[NH2+]C(C)(C)C)N(C)Cc1cnn(C)c1 ZINC000052570397 524457893 /nfs/dbraw/zinc/45/78/93/524457893.db2.gz HLSIYNCLUXMANE-ZDUSSCGKSA-N 1 3 266.433 2.409 10 0 CEAEHO C[C@H](C[NH2+]C(C)(C)C)CN1CCN(C(C)(C)C)CC1 ZINC000052571607 524477292 /nfs/dbraw/zinc/47/72/92/524477292.db2.gz REIGQKBKVIPVJD-CQSZACIVSA-N 1 3 269.477 2.427 10 0 CEAEHO Cc1cc(CNC[C@H]2CC[N@@H+](C3CC3)C2)c(C)n1C ZINC000052790279 524757934 /nfs/dbraw/zinc/75/79/34/524757934.db2.gz IUSGPRVJQPMVGX-CQSZACIVSA-N 1 3 261.413 2.216 10 0 CEAEHO Cc1cc(CNC[C@H]2CC[N@H+](C3CC3)C2)c(C)n1C ZINC000052790279 524757943 /nfs/dbraw/zinc/75/79/43/524757943.db2.gz IUSGPRVJQPMVGX-CQSZACIVSA-N 1 3 261.413 2.216 10 0 CEAEHO Cc1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c(C)n1C ZINC000052790279 524757953 /nfs/dbraw/zinc/75/79/53/524757953.db2.gz IUSGPRVJQPMVGX-CQSZACIVSA-N 1 3 261.413 2.216 10 0 CEAEHO C[C@H](N)c1c(F)cccc1N1CCC[C@@H]1C[NH+](C)C ZINC000061644797 524863494 /nfs/dbraw/zinc/86/34/94/524863494.db2.gz WJJUEACOLQBSQL-NWDGAFQWSA-N 1 3 265.376 2.376 10 0 CEAEHO Cc1ccc([C@@H]([C@H](C)[NH3+])N2CCN(CC(C)C)CC2)o1 ZINC000055077059 525785296 /nfs/dbraw/zinc/78/52/96/525785296.db2.gz CHMFKXCVMBFUOS-GOEBONIOSA-N 1 3 279.428 2.250 10 0 CEAEHO C[C@@H]([C@H](N)c1ccccc1)[N@H+](C)C1CCN(C)CC1 ZINC000052684814 526024432 /nfs/dbraw/zinc/02/44/32/526024432.db2.gz RHVNETGXFISIEE-BBRMVZONSA-N 1 3 261.413 2.101 10 0 CEAEHO C[C@@H]([C@H](N)c1ccccc1)[N@@H+](C)C1CCN(C)CC1 ZINC000052684814 526024438 /nfs/dbraw/zinc/02/44/38/526024438.db2.gz RHVNETGXFISIEE-BBRMVZONSA-N 1 3 261.413 2.101 10 0 CEAEHO CC[NH+]1CCC2(CC1)N[C@H](C(C)C)C(C)(C)CO2 ZINC000757150347 574510739 /nfs/dbraw/zinc/51/07/39/574510739.db2.gz PMDGQJLGDQTARA-CYBMUJFWSA-N 1 3 254.418 2.469 10 0 CEAEHO CCN1CCC2(CC1)[NH2+][C@H](C(C)C)C(C)(C)CO2 ZINC000757150347 574510740 /nfs/dbraw/zinc/51/07/40/574510740.db2.gz PMDGQJLGDQTARA-CYBMUJFWSA-N 1 3 254.418 2.469 10 0 CEAEHO Cc1ccccc1OCCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000311831379 627702569 /nfs/dbraw/zinc/70/25/69/627702569.db2.gz PDHODLBDSJMHMH-RRFJBIMHSA-N 1 3 260.381 2.043 10 0 CEAEHO C[C@H](CSC(C)(C)C)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000151292913 639256090 /nfs/dbraw/zinc/25/60/90/639256090.db2.gz HMRABIBORWYMTE-ZIAGYGMSSA-N 1 3 288.501 2.343 10 0 CEAEHO C[C@H]1CCC[C@H](c2cncn2CCC[NH+](C)C)N1 ZINC000097010937 185151535 /nfs/dbraw/zinc/15/15/35/185151535.db2.gz GTKMLBMAJBXFBB-QWHCGFSZSA-N 1 3 250.390 2.038 10 0 CEAEHO CC(C)COc1cccc(CN2CC[C@@H](C(=[NH2+])NO)C2)c1 ZINC000584633984 344970538 /nfs/dbraw/zinc/97/05/38/344970538.db2.gz UZUGGTNBMYWFPV-CQSZACIVSA-N 1 3 291.395 2.499 10 0 CEAEHO CC[C@@H](C)[C@@H]1C[NH2+][C@H](C2CC2)CN1CCCn1ccnc1 ZINC000085524858 179089167 /nfs/dbraw/zinc/08/91/67/179089167.db2.gz KPDWCPFXHHQXMW-PVAVHDDUSA-N 1 3 290.455 2.372 10 0 CEAEHO CC(C)[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1C[C@@H]1CCCCN1C ZINC000086173761 179244665 /nfs/dbraw/zinc/24/46/65/179244665.db2.gz CPGBFYFSCGXKOI-BBWFWOEESA-N 1 3 281.488 2.425 10 0 CEAEHO CC(C)[C@@H]1CN[C@@H](C(C)C)C[N@H+]1C[C@@H]1CCCCN1C ZINC000086173761 179244667 /nfs/dbraw/zinc/24/46/67/179244667.db2.gz CPGBFYFSCGXKOI-BBWFWOEESA-N 1 3 281.488 2.425 10 0 CEAEHO CC[C@H]1CNC2(CCCCC2)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223133 179252154 /nfs/dbraw/zinc/25/21/54/179252154.db2.gz XCNUTIAMARTXCB-CVEARBPZSA-N 1 3 279.472 2.325 10 0 CEAEHO CC[C@H]1CNC2(CCCCC2)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223133 179252155 /nfs/dbraw/zinc/25/21/55/179252155.db2.gz XCNUTIAMARTXCB-CVEARBPZSA-N 1 3 279.472 2.325 10 0 CEAEHO CCCN1CCC([N@@H+]2C[C@@H](CC)NC[C@@H]2CC)CC1 ZINC000086227319 179254766 /nfs/dbraw/zinc/25/47/66/179254766.db2.gz UIEQKJCCQJTNFR-CABCVRRESA-N 1 3 267.461 2.323 10 0 CEAEHO CCCN1CCC([N@H+]2C[C@@H](CC)NC[C@@H]2CC)CC1 ZINC000086227319 179254769 /nfs/dbraw/zinc/25/47/69/179254769.db2.gz UIEQKJCCQJTNFR-CABCVRRESA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259204 179258077 /nfs/dbraw/zinc/25/80/77/179258077.db2.gz YMFFJVNNIPVYDS-PVAVHDDUSA-N 1 3 279.472 2.181 10 0 CEAEHO CC[C@H]1CN[C@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259204 179258078 /nfs/dbraw/zinc/25/80/78/179258078.db2.gz YMFFJVNNIPVYDS-PVAVHDDUSA-N 1 3 279.472 2.181 10 0 CEAEHO C[C@H]([C@H]1CCCO1)[N@@H+]1CCCN[C@@](C)(C2CC2)C1 ZINC000086287101 179264446 /nfs/dbraw/zinc/26/44/46/179264446.db2.gz ADRIXZDXDFEJEZ-BPLDGKMQSA-N 1 3 252.402 2.018 10 0 CEAEHO C[C@H]([C@H]1CCCO1)[N@H+]1CCCN[C@@](C)(C2CC2)C1 ZINC000086287101 179264448 /nfs/dbraw/zinc/26/44/48/179264448.db2.gz ADRIXZDXDFEJEZ-BPLDGKMQSA-N 1 3 252.402 2.018 10 0 CEAEHO C[C@H]([C@H]1CCCO1)N1CCC[NH2+][C@@](C)(C2CC2)C1 ZINC000086287101 179264449 /nfs/dbraw/zinc/26/44/49/179264449.db2.gz ADRIXZDXDFEJEZ-BPLDGKMQSA-N 1 3 252.402 2.018 10 0 CEAEHO CC(C)[C@H]1CNC(C)(C)C[N@@H+]1[C@@H](C)CCN(C)C ZINC000086255794 179256686 /nfs/dbraw/zinc/25/66/86/179256686.db2.gz MXNWHXYHDJLVLW-UONOGXRCSA-N 1 3 255.450 2.035 10 0 CEAEHO CC(C)[C@H]1CNC(C)(C)C[N@H+]1[C@@H](C)CCN(C)C ZINC000086255794 179256689 /nfs/dbraw/zinc/25/66/89/179256689.db2.gz MXNWHXYHDJLVLW-UONOGXRCSA-N 1 3 255.450 2.035 10 0 CEAEHO CC(C)(C)[C@@H]1CN(C[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000086292483 179266767 /nfs/dbraw/zinc/26/67/67/179266767.db2.gz IINTYZJAQGLXCT-KBPBESRZSA-N 1 3 254.418 2.123 10 0 CEAEHO CC(C)[NH+]1CCC(O)([C@@H]2NCc3ccccc32)CC1 ZINC000086666681 179317204 /nfs/dbraw/zinc/31/72/04/179317204.db2.gz ANXLBAIKHXZGNE-OAHLLOKOSA-N 1 3 260.381 2.066 10 0 CEAEHO CCC1(C)CC[NH+]([C@]2(CN)CCCN(C)CC2)CC1 ZINC000086819592 179348659 /nfs/dbraw/zinc/34/86/59/179348659.db2.gz QUIIKUVEWMENRP-MRXNPFEDSA-N 1 3 267.461 2.312 10 0 CEAEHO CC(C)N1CCC[C@H]([NH2+]CCCn2ccnc2)CC1 ZINC000086837156 179351612 /nfs/dbraw/zinc/35/16/12/179351612.db2.gz AIUBWRADBQHKIV-HNNXBMFYSA-N 1 3 264.417 2.126 10 0 CEAEHO CC(C)[N@@H+]1CCC[C@H](N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000086843435 179353645 /nfs/dbraw/zinc/35/36/45/179353645.db2.gz GDVOMOLTJHOFLB-LSDHHAIUSA-N 1 3 265.445 2.076 10 0 CEAEHO CC(C)[N@H+]1CCC[C@H](N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000086843435 179353646 /nfs/dbraw/zinc/35/36/46/179353646.db2.gz GDVOMOLTJHOFLB-LSDHHAIUSA-N 1 3 265.445 2.076 10 0 CEAEHO CCC[N@H+](C1CC1)[C@]1(CN)CCCN(CC)CC1 ZINC000086846788 179355718 /nfs/dbraw/zinc/35/57/18/179355718.db2.gz RENNYFFAWCUZMW-OAHLLOKOSA-N 1 3 253.434 2.064 10 0 CEAEHO CCC[N@@H+](C1CC1)[C@]1(CN)CCCN(CC)CC1 ZINC000086846788 179355720 /nfs/dbraw/zinc/35/57/20/179355720.db2.gz RENNYFFAWCUZMW-OAHLLOKOSA-N 1 3 253.434 2.064 10 0 CEAEHO CCN1CCC[C@](CN)([N@H+](C)C(C)(C)CC)CC1 ZINC000086848848 179358240 /nfs/dbraw/zinc/35/82/40/179358240.db2.gz BEISKMFVXYFZEG-HNNXBMFYSA-N 1 3 255.450 2.310 10 0 CEAEHO CCN1CCC[C@](CN)([N@@H+](C)C(C)(C)CC)CC1 ZINC000086848848 179358241 /nfs/dbraw/zinc/35/82/41/179358241.db2.gz BEISKMFVXYFZEG-HNNXBMFYSA-N 1 3 255.450 2.310 10 0 CEAEHO CCCNCc1cncn1[C@@H](C)C[NH+]1CCCCC1 ZINC000090241277 179938240 /nfs/dbraw/zinc/93/82/40/179938240.db2.gz RFHDBVLWPMAIKC-AWEZNQCLSA-N 1 3 264.417 2.430 10 0 CEAEHO CCCN(C[C@H]1Cc2ccccc2O1)C1CC[NH2+]CC1 ZINC000090876225 180050858 /nfs/dbraw/zinc/05/08/58/180050858.db2.gz FKWUNNJFUUBHAY-MRXNPFEDSA-N 1 3 274.408 2.454 10 0 CEAEHO CCC[N@H+](C[C@H]1Cc2ccccc2O1)C1CCNCC1 ZINC000090876225 180050862 /nfs/dbraw/zinc/05/08/62/180050862.db2.gz FKWUNNJFUUBHAY-MRXNPFEDSA-N 1 3 274.408 2.454 10 0 CEAEHO CCC[N@@H+](C[C@H]1Cc2ccccc2O1)C1CCNCC1 ZINC000090876225 180050869 /nfs/dbraw/zinc/05/08/69/180050869.db2.gz FKWUNNJFUUBHAY-MRXNPFEDSA-N 1 3 274.408 2.454 10 0 CEAEHO C[C@@H]([NH3+])C1CCN(C[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090878931 180052905 /nfs/dbraw/zinc/05/29/05/180052905.db2.gz OQWRKKYTBWOLKO-ABAIWWIYSA-N 1 3 278.371 2.188 10 0 CEAEHO C[C@@H](C[NH2+]C[C@H]1Cc2cc(F)ccc2O1)CN1CCCC1 ZINC000090892751 180054873 /nfs/dbraw/zinc/05/48/73/180054873.db2.gz HDKCAZUBYQSROR-XJKSGUPXSA-N 1 3 292.398 2.451 10 0 CEAEHO [NH3+][C@H](CCCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000090908651 180061579 /nfs/dbraw/zinc/06/15/79/180061579.db2.gz WLMLINYWSQIJGT-OWCLPIDISA-N 1 3 260.381 2.330 10 0 CEAEHO CN(CC[C@@H]1C[NH2+]CCO1)Cc1ccc(Cl)s1 ZINC000091313837 180132469 /nfs/dbraw/zinc/13/24/69/180132469.db2.gz HPAIYXRWZWKSPZ-SNVBAGLBSA-N 1 3 274.817 2.212 10 0 CEAEHO CC(C)[NH2+]CC[C@@](C)(O)[C@@H]1NCCc2ccccc21 ZINC000091467973 180164466 /nfs/dbraw/zinc/16/44/66/180164466.db2.gz FQIGHIILSXUQNU-HZPDHXFCSA-N 1 3 262.397 2.013 10 0 CEAEHO C[NH2+][C@@H](CCN(C)CC1CC(O)C1)c1ccc(F)cc1 ZINC000091490955 180170015 /nfs/dbraw/zinc/17/00/15/180170015.db2.gz YAJFNHWGHVMPJL-MOQPWLNLSA-N 1 3 280.387 2.179 10 0 CEAEHO CCC(CC)([C@H](Cc1cnn(C)c1)NC)[NH+]1CCCC1 ZINC000091635111 180210962 /nfs/dbraw/zinc/21/09/62/180210962.db2.gz JJKHPKOAWWYCJM-HNNXBMFYSA-N 1 3 278.444 2.205 10 0 CEAEHO CCC(CC)([C@@H](Cc1cccnc1N)NC)[NH+]1CCCC1 ZINC000091635136 180211612 /nfs/dbraw/zinc/21/16/12/180211612.db2.gz PKPHVKPSEDCMIQ-OAHLLOKOSA-N 1 3 290.455 2.449 10 0 CEAEHO Cc1cc(C[C@H]([NH3+])C2(N3CCCC3)CCCC2)n(C)n1 ZINC000091640678 180213540 /nfs/dbraw/zinc/21/35/40/180213540.db2.gz JKUMLWQGPCTWLD-HNNXBMFYSA-N 1 3 276.428 2.007 10 0 CEAEHO CCc1nc(N2CC[C@H]3CC[C@@H](C2)N3C)sc1C[NH2+]C ZINC000092004861 180305894 /nfs/dbraw/zinc/30/58/94/180305894.db2.gz LKNMQIPGATUUIU-NEPJUHHUSA-N 1 3 294.468 2.098 10 0 CEAEHO C[C@H]1C[NH+](CCCC(=O)Nc2cccc(CN)c2)C[C@@H]1C ZINC000092082226 180319350 /nfs/dbraw/zinc/31/93/50/180319350.db2.gz DBEOERFLYPRFHY-KBPBESRZSA-N 1 3 289.423 2.452 10 0 CEAEHO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccccc2CN2CCCC2)C1 ZINC000092203852 180343811 /nfs/dbraw/zinc/34/38/11/180343811.db2.gz DBCAJMXXJZDLNH-HIFRSBDPSA-N 1 3 285.391 2.124 10 0 CEAEHO CCNc1cccc(CN(C)CC2CC[NH+](C)CC2)n1 ZINC000092370685 180369920 /nfs/dbraw/zinc/36/99/20/180369920.db2.gz JNSRMUAMTMLBGX-UHFFFAOYSA-N 1 3 276.428 2.287 10 0 CEAEHO COc1ccc2c(c1)[C@@](C[NH3+])(NCC(C)C)CCC2 ZINC000092384826 180373496 /nfs/dbraw/zinc/37/34/96/180373496.db2.gz DOGDAUAXPQNALW-MRXNPFEDSA-N 1 3 262.397 2.431 10 0 CEAEHO COc1cc2c(cc1F)nc(N)n2CCCC[NH+](C)C ZINC000110630036 186307585 /nfs/dbraw/zinc/30/75/85/186307585.db2.gz HXVQXOGELCWKBU-UHFFFAOYSA-N 1 3 280.347 2.108 10 0 CEAEHO CCN1CCN([C@@H](C[NH3+])c2ccc(F)cc2C)C[C@@H]1C ZINC000110708692 186316751 /nfs/dbraw/zinc/31/67/51/186316751.db2.gz NPZNQACJOKCPFD-BBRMVZONSA-N 1 3 279.403 2.160 10 0 CEAEHO Cc1ccc([C@@H]([NH3+])CCN2CCN(C)C(C)(C)C2)cc1 ZINC000110747051 186321922 /nfs/dbraw/zinc/32/19/22/186321922.db2.gz KNESKASYTCIJDM-INIZCTEOSA-N 1 3 275.440 2.411 10 0 CEAEHO CC[NH2+]Cc1cc(CN2CCN(C)[C@@H](CC)C2)oc1C ZINC000110754034 186322023 /nfs/dbraw/zinc/32/20/23/186322023.db2.gz FNJCJZRZXNJCNH-HNNXBMFYSA-N 1 3 279.428 2.224 10 0 CEAEHO CC[C@H](C)C[C@](CC)(CN)[N@H+](C)CCCN(C)C ZINC000111133868 186356305 /nfs/dbraw/zinc/35/63/05/186356305.db2.gz GGVMGNGDTXBJNP-LSDHHAIUSA-N 1 3 257.466 2.414 10 0 CEAEHO CC[C@H](C)C[C@](CC)(CN)[N@@H+](C)CCCN(C)C ZINC000111133868 186356306 /nfs/dbraw/zinc/35/63/06/186356306.db2.gz GGVMGNGDTXBJNP-LSDHHAIUSA-N 1 3 257.466 2.414 10 0 CEAEHO C[NH2+][C@@H]1c2ccccc2CCC[C@H]1N(C)CCN(C)C ZINC000111134395 186357619 /nfs/dbraw/zinc/35/76/19/186357619.db2.gz XNVAZCHIEBXKDA-IAGOWNOFSA-N 1 3 275.440 2.145 10 0 CEAEHO C[NH2+][C@H](CN(C)CCN(C)C)c1c(C)cc(C)cc1C ZINC000111134246 186358099 /nfs/dbraw/zinc/35/80/99/186358099.db2.gz YDQMZAXYTBVZKH-MRXNPFEDSA-N 1 3 277.456 2.366 10 0 CEAEHO CC[NH2+]C[C@](C)(CN(C)CCN(C)C)c1ccccc1 ZINC000111146631 186358256 /nfs/dbraw/zinc/35/82/56/186358256.db2.gz KVABMGUCRDMASC-QGZVFWFLSA-N 1 3 277.456 2.047 10 0 CEAEHO C[NH2+][C@H](CCN(C)CCN(C)C)c1ccccc1C ZINC000111146962 186358585 /nfs/dbraw/zinc/35/85/85/186358585.db2.gz SBRPGUUBRCVPIS-MRXNPFEDSA-N 1 3 263.429 2.139 10 0 CEAEHO CCNC[C@]1(C[N@H+](CCO)C2CCCCC2)CCCOC1 ZINC000111327415 186398128 /nfs/dbraw/zinc/39/81/28/186398128.db2.gz XEGCGUXQXLOQBC-KRWDZBQOSA-N 1 3 298.471 2.020 10 0 CEAEHO CCNC[C@]1(C[N@@H+](CCO)C2CCCCC2)CCCOC1 ZINC000111327415 186398129 /nfs/dbraw/zinc/39/81/29/186398129.db2.gz XEGCGUXQXLOQBC-KRWDZBQOSA-N 1 3 298.471 2.020 10 0 CEAEHO CC[NH2+]C[C@]1(CN(CCO)C2CCCCC2)CCCOC1 ZINC000111327415 186398131 /nfs/dbraw/zinc/39/81/31/186398131.db2.gz XEGCGUXQXLOQBC-KRWDZBQOSA-N 1 3 298.471 2.020 10 0 CEAEHO CC(C)[NH2+]C[C@@]1(CN(CCO)C2CCCC2)CCCOC1 ZINC000111327412 186398309 /nfs/dbraw/zinc/39/83/09/186398309.db2.gz XKKQKWUNUDFWIC-QGZVFWFLSA-N 1 3 298.471 2.018 10 0 CEAEHO O[C@H](CNCCc1cccc(Cl)c1)C[NH+]1CCCCC1 ZINC000298269716 200378469 /nfs/dbraw/zinc/37/84/69/200378469.db2.gz GFJXISHYSULWGH-MRXNPFEDSA-N 1 3 296.842 2.319 10 0 CEAEHO CCC[C@@H](C(=O)NCCCC[NH+]1CCC(C)CC1)N(C)C ZINC000161598091 367099558 /nfs/dbraw/zinc/09/95/58/367099558.db2.gz JZWIYOMICRNMCW-INIZCTEOSA-N 1 3 297.487 2.345 10 0 CEAEHO Cc1cccc(NC[C@H]2CCN(C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000261705477 371707317 /nfs/dbraw/zinc/70/73/17/371707317.db2.gz CXCABVWRVHHJQO-WBVHZDCISA-N 1 3 288.439 2.123 10 0 CEAEHO Cc1cccc(OCCN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261637076 371686527 /nfs/dbraw/zinc/68/65/27/371686527.db2.gz WPGWRDRIHJCUAG-BPUTZDHNSA-N 1 3 260.381 2.043 10 0 CEAEHO O[C@H]1C[C@@H](c2ccc(F)c(F)c2)N(CC2CC[NH2+]CC2)C1 ZINC000262025071 371803284 /nfs/dbraw/zinc/80/32/84/371803284.db2.gz WOCWNZYLNNRQDS-BBRMVZONSA-N 1 3 296.361 2.072 10 0 CEAEHO CC(C)CN1CCN([C@H](C)[C@@H](C)C[NH2+]C(C)C)CC1 ZINC000093070171 184645865 /nfs/dbraw/zinc/64/58/65/184645865.db2.gz JNIANYWNOTVNEP-JKSUJKDBSA-N 1 3 269.477 2.283 10 0 CEAEHO NC(=[NH2+])CC1(CN2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000088258145 135053636 /nfs/dbraw/zinc/05/36/36/135053636.db2.gz SQHFXKBIEFMEHK-UHFFFAOYSA-N 1 3 290.386 2.054 10 0 CEAEHO [NH3+]C[C@H]1CCC[C@H]1CN1CCN(c2ccccc2F)CC1 ZINC000089482837 135059261 /nfs/dbraw/zinc/05/92/61/135059261.db2.gz KPUAGKGHWWZXQR-CABCVRRESA-N 1 3 291.414 2.323 10 0 CEAEHO Cc1cccc(N2CCN(C[C@H]3C=C[C@@H]([NH3+])C3)CC2)c1C ZINC000092208953 135076216 /nfs/dbraw/zinc/07/62/16/135076216.db2.gz LQQSPNNLLYJKKY-DLBZAZTESA-N 1 3 285.435 2.329 10 0 CEAEHO CC(C)[N@H+]1C[C@H](C)[C@H](N[C@H](C)CC(=O)OC(C)(C)C)C1 ZINC000246135001 394509521 /nfs/dbraw/zinc/50/95/21/394509521.db2.gz AGYHKWFBOPPCNZ-BFHYXJOUSA-N 1 3 284.444 2.425 10 0 CEAEHO CC(C)[N@@H+]1C[C@H](C)[C@H](N[C@H](C)CC(=O)OC(C)(C)C)C1 ZINC000246135001 394509525 /nfs/dbraw/zinc/50/95/25/394509525.db2.gz AGYHKWFBOPPCNZ-BFHYXJOUSA-N 1 3 284.444 2.425 10 0 CEAEHO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CNC1 ZINC000422816273 394806974 /nfs/dbraw/zinc/80/69/74/394806974.db2.gz DWUYUBZBMYJNRZ-JMJZKYOTSA-N 1 3 250.308 2.305 10 0 CEAEHO CCCN1CCN([C@H](C[NH3+])c2ccc(Cl)cc2)CC1 ZINC000020179656 171044283 /nfs/dbraw/zinc/04/42/83/171044283.db2.gz RXVZHTJYIWHISY-OAHLLOKOSA-N 1 3 281.831 2.367 10 0 CEAEHO NCc1cccc(NC(=O)CC[NH+]2CCCCCC2)c1 ZINC000022154834 171361720 /nfs/dbraw/zinc/36/17/20/171361720.db2.gz LHRZZAOGWVJEAL-UHFFFAOYSA-N 1 3 275.396 2.350 10 0 CEAEHO Cc1ccccc1[C@@H](CN)[N@@H+](C)C1CCN(C)CC1 ZINC000022173626 171369462 /nfs/dbraw/zinc/36/94/62/171369462.db2.gz IRBPUQVKGFXFAN-MRXNPFEDSA-N 1 3 261.413 2.021 10 0 CEAEHO Cc1ccccc1[C@@H](CN)[N@H+](C)C1CCN(C)CC1 ZINC000022173626 171369463 /nfs/dbraw/zinc/36/94/63/171369463.db2.gz IRBPUQVKGFXFAN-MRXNPFEDSA-N 1 3 261.413 2.021 10 0 CEAEHO CC[N@H+](CCOc1ccc(C)cc1)C1CCNCC1 ZINC000037538497 173258391 /nfs/dbraw/zinc/25/83/91/173258391.db2.gz RQLXXYRHHCXCRY-UHFFFAOYSA-N 1 3 262.397 2.448 10 0 CEAEHO CC[N@@H+](CCOc1ccc(C)cc1)C1CCNCC1 ZINC000037538497 173258392 /nfs/dbraw/zinc/25/83/92/173258392.db2.gz RQLXXYRHHCXCRY-UHFFFAOYSA-N 1 3 262.397 2.448 10 0 CEAEHO CCOC1CCN(CCOc2ccccc2C[NH3+])CC1 ZINC000040678477 174374730 /nfs/dbraw/zinc/37/47/30/174374730.db2.gz FRMRSGJJPUNZHH-UHFFFAOYSA-N 1 3 278.396 2.025 10 0 CEAEHO [NH3+]C1C[C@H]2CC[C@@H](C1)N2CCCOc1ccccc1 ZINC000040750001 174395137 /nfs/dbraw/zinc/39/51/37/174395137.db2.gz MXAWOMCDZWLFHX-GOOCMWNKSA-N 1 3 260.381 2.410 10 0 CEAEHO CCC[NH2+][C@@H](CN1CCCN(C)CC1)c1ccccc1 ZINC000043818500 175112995 /nfs/dbraw/zinc/11/29/95/175112995.db2.gz AGKWGAYSWDSZDS-KRWDZBQOSA-N 1 3 275.440 2.365 10 0 CEAEHO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1N1CCCN(C)CC1 ZINC000043818568 175113869 /nfs/dbraw/zinc/11/38/69/175113869.db2.gz APBRFWDMSNIVBF-QZTJIDSGSA-N 1 3 287.451 2.290 10 0 CEAEHO CCC[NH2+][C@H]1CCCCC[C@@H]1N1CCCN(C)CC1 ZINC000043818528 175113921 /nfs/dbraw/zinc/11/39/21/175113921.db2.gz DLAXFWGAKYGDHE-HOTGVXAUSA-N 1 3 267.461 2.325 10 0 CEAEHO CC(C)C[C@H](CN(C)C)NC(=O)C1(C[NH3+])CCCCCC1 ZINC000044763821 175247722 /nfs/dbraw/zinc/24/77/22/175247722.db2.gz CHDJVJDPUVKJKC-OAHLLOKOSA-N 1 3 297.487 2.378 10 0 CEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)C1(C[NH3+])CCCCCC1 ZINC000044763820 175247828 /nfs/dbraw/zinc/24/78/28/175247828.db2.gz CHDJVJDPUVKJKC-HNNXBMFYSA-N 1 3 297.487 2.378 10 0 CEAEHO C[C@H](CNC(=O)C1(C[NH3+])CCCCCC1)N1CCCCC1 ZINC000044995377 175287205 /nfs/dbraw/zinc/28/72/05/175287205.db2.gz BJDPTQXHOUNRDI-OAHLLOKOSA-N 1 3 295.471 2.276 10 0 CEAEHO CC[NH2+][C@@H](C)c1ccc(NC(=O)NC[C@H](C)N(C)C)cc1 ZINC000045113977 175311126 /nfs/dbraw/zinc/31/11/26/175311126.db2.gz CQHJEGSYLSVBRN-STQMWFEESA-N 1 3 292.427 2.429 10 0 CEAEHO CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CCN(C)C2)c1C ZINC000045171423 175320826 /nfs/dbraw/zinc/32/08/26/175320826.db2.gz HDNZNXUBUOVSEB-SMDDNHRTSA-N 1 3 264.417 2.122 10 0 CEAEHO CC[C@@H]1CCCC[C@@]1(CN)[N@H+](C)CCN1CCCC1 ZINC000071162228 176046158 /nfs/dbraw/zinc/04/61/58/176046158.db2.gz FOTZLLXPPYRMDP-CVEARBPZSA-N 1 3 267.461 2.312 10 0 CEAEHO CC[C@@H]1CCCC[C@@]1(CN)[N@@H+](C)CCN1CCCC1 ZINC000071162228 176046159 /nfs/dbraw/zinc/04/61/59/176046159.db2.gz FOTZLLXPPYRMDP-CVEARBPZSA-N 1 3 267.461 2.312 10 0 CEAEHO CC[C@@H]1CCCC[C@]1(C[NH3+])N1CCN(C)C(C)(C)C1 ZINC000071162261 176046579 /nfs/dbraw/zinc/04/65/79/176046579.db2.gz ACZRNAHRAHNJOE-GDBMZVCRSA-N 1 3 267.461 2.310 10 0 CEAEHO CN1CC[C@@H](C[N@H+](C)[C@@H]2CCCc3ccccc3[C@@H]2N)C1 ZINC000071188731 176063639 /nfs/dbraw/zinc/06/36/39/176063639.db2.gz BFMZQFBQSASDJG-OLMNPRSZSA-N 1 3 287.451 2.275 10 0 CEAEHO CN1CC[C@@H](C[N@@H+](C)[C@@H]2CCCc3ccccc3[C@@H]2N)C1 ZINC000071188731 176063641 /nfs/dbraw/zinc/06/36/41/176063641.db2.gz BFMZQFBQSASDJG-OLMNPRSZSA-N 1 3 287.451 2.275 10 0 CEAEHO CC(C)NCc1ccoc1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191932 176071356 /nfs/dbraw/zinc/07/13/56/176071356.db2.gz QUKRPGLLFYFRRR-CQSZACIVSA-N 1 3 279.428 2.161 10 0 CEAEHO CC(C)NCc1ccoc1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191932 176071358 /nfs/dbraw/zinc/07/13/58/176071358.db2.gz QUKRPGLLFYFRRR-CQSZACIVSA-N 1 3 279.428 2.161 10 0 CEAEHO CC(C)C[NH2+]CCCCCCN1CCN(C)CC1 ZINC000071287034 176110020 /nfs/dbraw/zinc/11/00/20/176110020.db2.gz SZCVWGGICLESCU-UHFFFAOYSA-N 1 3 255.450 2.040 10 0 CEAEHO Cc1nccn1CC[N@H+]1CC2(CCCCC2)NC[C@@H]1C ZINC000071359295 176137427 /nfs/dbraw/zinc/13/74/27/176137427.db2.gz XLVKYVDPCDCWMQ-AWEZNQCLSA-N 1 3 276.428 2.188 10 0 CEAEHO Cc1nccn1CC[N@@H+]1CC2(CCCCC2)NC[C@@H]1C ZINC000071359295 176137428 /nfs/dbraw/zinc/13/74/28/176137428.db2.gz XLVKYVDPCDCWMQ-AWEZNQCLSA-N 1 3 276.428 2.188 10 0 CEAEHO C[C@H](COCc1ccccc1)N[C@H]1CCC[NH2+]CC1 ZINC000390569893 262220082 /nfs/dbraw/zinc/22/00/82/262220082.db2.gz BHNNANTXYYBERH-ZBFHGGJFSA-N 1 3 262.397 2.323 10 0 CEAEHO C[C@@H](NCCc1cccc2cccnc21)[C@@H]1CC[NH2+]C1 ZINC000400331544 278348704 /nfs/dbraw/zinc/34/87/04/278348704.db2.gz BZYXDPXNTBCDDZ-CZUORRHYSA-N 1 3 269.392 2.365 10 0 CEAEHO C[C@@H](NCCc1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000400337935 278348821 /nfs/dbraw/zinc/34/88/21/278348821.db2.gz FUNRAODCRWODHV-DGCLKSJQSA-N 1 3 252.789 2.470 10 0 CEAEHO CC(C)(C)[NH2+]C[C@H]1CC[C@H](COCCN2CCCC2)O1 ZINC000052670484 518763000 /nfs/dbraw/zinc/76/30/00/518763000.db2.gz UYALFMCSUZCYPT-HUUCEWRRSA-N 1 3 284.444 2.035 10 0 CEAEHO CC(C)C[NH2+]CCCCN1CCN(CC(C)C)CC1 ZINC000055075980 519743277 /nfs/dbraw/zinc/74/32/77/519743277.db2.gz PMJSVXGQZRPNGG-UHFFFAOYSA-N 1 3 269.477 2.286 10 0 CEAEHO CC(C)[C@@H](C[NH2+]C1CC1)OCCN1CCCCC1 ZINC000052670629 519794749 /nfs/dbraw/zinc/79/47/49/519794749.db2.gz YVHGKPMGXGMJCP-OAHLLOKOSA-N 1 3 254.418 2.266 10 0 CEAEHO CCCC1CC[NH+](CCCC[C@](C)(NC)C(N)=O)CC1 ZINC000050905932 519900656 /nfs/dbraw/zinc/90/06/56/519900656.db2.gz MKYXDXJDRUYIPB-INIZCTEOSA-N 1 3 283.460 2.132 10 0 CEAEHO C[NH2+]Cc1cc(CN(C)[C@@H]2CCSC2)oc1C ZINC000052453183 522103816 /nfs/dbraw/zinc/10/38/16/522103816.db2.gz QRMSJOWBUPQUCW-GFCCVEGCSA-N 1 3 254.399 2.245 10 0 CEAEHO CC[C@@H](C)N1CCN(CC2([NH3+])CCCCC2)CC1 ZINC000055083497 522118903 /nfs/dbraw/zinc/11/89/03/522118903.db2.gz QYFWFNSZEJONQJ-CQSZACIVSA-N 1 3 253.434 2.064 10 0 CEAEHO CC(C)N1CCN([C@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055022905 519683342 /nfs/dbraw/zinc/68/33/42/519683342.db2.gz PXLRDPFZPUQETG-OAHLLOKOSA-N 1 3 274.412 2.080 10 0 CEAEHO CC(C)CN1CCN(CC[NH2+]CCC(C)(C)C)CC1 ZINC000055076070 519726005 /nfs/dbraw/zinc/72/60/05/519726005.db2.gz YCIRKOFBMDTNMQ-UHFFFAOYSA-N 1 3 269.477 2.286 10 0 CEAEHO CC(C)CNCc1cn(CC[NH+]2CCCCCCC2)nn1 ZINC000052424990 519747943 /nfs/dbraw/zinc/74/79/43/519747943.db2.gz MGQLXAYNGASMOS-UHFFFAOYSA-N 1 3 293.459 2.290 10 0 CEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000049560738 519775432 /nfs/dbraw/zinc/77/54/32/519775432.db2.gz LHQCDBRJRVAVGA-HNNXBMFYSA-N 1 3 292.427 2.243 10 0 CEAEHO CC(C)C[C@@H](CN(C)C)[NH2+]CC[C@@H]1CCCCN1C ZINC000052206053 519775673 /nfs/dbraw/zinc/77/56/73/519775673.db2.gz PVXWKZBFROIWRC-HOTGVXAUSA-N 1 3 269.477 2.427 10 0 CEAEHO CC(C)C[C@@H](CN(C)C)[NH2+]CCCN1CCCC1 ZINC000049555569 519775739 /nfs/dbraw/zinc/77/57/39/519775739.db2.gz SICQDTUEZRVOPU-HNNXBMFYSA-N 1 3 255.450 2.038 10 0 CEAEHO CC(C)[C@H]1CC[C@@H](N)[C@H]([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061643351 519825779 /nfs/dbraw/zinc/82/57/79/519825779.db2.gz MXSZSACDEOADIC-ZJIFWQFVSA-N 1 3 267.461 2.164 10 0 CEAEHO CC(C)[C@H]1CC[C@@H](N)[C@H]([N@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061643351 519825780 /nfs/dbraw/zinc/82/57/80/519825780.db2.gz MXSZSACDEOADIC-ZJIFWQFVSA-N 1 3 267.461 2.164 10 0 CEAEHO CCCN1CCN([C@@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054554493 519859836 /nfs/dbraw/zinc/85/98/36/519859836.db2.gz HQELBNPWCPPEEM-OWCLPIDISA-N 1 3 267.461 2.166 10 0 CEAEHO CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCCOCC ZINC000054626699 519908030 /nfs/dbraw/zinc/90/80/30/519908030.db2.gz SYUFOPKFFFQNRC-GOOCMWNKSA-N 1 3 254.418 2.408 10 0 CEAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CN2CCC1CC2 ZINC000054603253 519908439 /nfs/dbraw/zinc/90/84/39/519908439.db2.gz ZUUYEVBELLXUPS-NPYXIHBLSA-N 1 3 277.456 2.076 10 0 CEAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CN2CCC1CC2 ZINC000054603253 519908442 /nfs/dbraw/zinc/90/84/42/519908442.db2.gz ZUUYEVBELLXUPS-NPYXIHBLSA-N 1 3 277.456 2.076 10 0 CEAEHO CCC[NH2+]C[C@@H](OCCN(C)C)c1ccccc1 ZINC000052669930 519921951 /nfs/dbraw/zinc/92/19/51/519921951.db2.gz DSXMJJDGLKMNRK-OAHLLOKOSA-N 1 3 250.386 2.306 10 0 CEAEHO CCC[NH2+]C[C@H](CC)N1CCN(C(C)(C)C)CC1 ZINC000052571587 519931820 /nfs/dbraw/zinc/93/18/20/519931820.db2.gz DEJJRCWGLGZJTK-AWEZNQCLSA-N 1 3 255.450 2.181 10 0 CEAEHO CCCNCc1cccc(N2CCC[C@H]2C[NH+](C)C)n1 ZINC000061654318 519954838 /nfs/dbraw/zinc/95/48/38/519954838.db2.gz BKMPQXKOMXPGRF-HNNXBMFYSA-N 1 3 276.428 2.112 10 0 CEAEHO CCNCc1ccoc1COCC[C@@H]1CCC[N@@H+]1C ZINC000052673140 520014343 /nfs/dbraw/zinc/01/43/43/520014343.db2.gz PRXZSGMCFUOYIQ-AWEZNQCLSA-N 1 3 266.385 2.390 10 0 CEAEHO CCNCc1ccoc1COCC[C@@H]1CCC[N@H+]1C ZINC000052673140 520014350 /nfs/dbraw/zinc/01/43/50/520014350.db2.gz PRXZSGMCFUOYIQ-AWEZNQCLSA-N 1 3 266.385 2.390 10 0 CEAEHO CCNCc1coc(COCC[NH+](CC)CC)c1 ZINC000052671921 520018747 /nfs/dbraw/zinc/01/87/47/520018747.db2.gz BHHLZNYBZJYYES-UHFFFAOYSA-N 1 3 254.374 2.248 10 0 CEAEHO CC[NH2+][C@@H](C)CCCN1CCN(CC(C)C)CC1 ZINC000055078745 520072506 /nfs/dbraw/zinc/07/25/06/520072506.db2.gz JVSNFUSXQRAIOE-HNNXBMFYSA-N 1 3 255.450 2.038 10 0 CEAEHO CC[NH2+][C@H](CCN1CCN(CC)CC1)c1ccccc1 ZINC000053932145 520190266 /nfs/dbraw/zinc/19/02/66/520190266.db2.gz XABZIXBWGBUJKI-QGZVFWFLSA-N 1 3 275.440 2.365 10 0 CEAEHO CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1N1CCCN(C)CC1 ZINC000054554794 520219923 /nfs/dbraw/zinc/21/99/23/520219923.db2.gz NUUAFNNKODKQGB-ULQDDVLXSA-N 1 3 281.488 2.427 10 0 CEAEHO CCC[C@@H](C)[C@@H](C[NH3+])N1CCN([C@@H](C)CC)CC1 ZINC000055064425 520668098 /nfs/dbraw/zinc/66/80/98/520668098.db2.gz RADMAKODUYFGFX-QLFBSQMISA-N 1 3 255.450 2.166 10 0 CEAEHO CC[NH+](CC)[C@@H]1CCN([C@@H](CN)c2ccsc2)C1 ZINC000062977079 520849127 /nfs/dbraw/zinc/84/91/27/520849127.db2.gz UIMWJALMWBUSNZ-KGLIPLIRSA-N 1 3 267.442 2.164 10 0 CEAEHO CCC[C@H]1C[N@H+](CCn2ccnc2C)[C@@](C)(C2CC2)CN1 ZINC000068702532 521221858 /nfs/dbraw/zinc/22/18/58/521221858.db2.gz ISWJEUUQADGZAJ-DLBZAZTESA-N 1 3 290.455 2.434 10 0 CEAEHO CCC[C@H]1C[N@@H+](CCn2ccnc2C)[C@@](C)(C2CC2)CN1 ZINC000068702532 521221865 /nfs/dbraw/zinc/22/18/65/521221865.db2.gz ISWJEUUQADGZAJ-DLBZAZTESA-N 1 3 290.455 2.434 10 0 CEAEHO C[NH2+]Cc1ccc(CN2CCN(C(C)(C)C)CC2)cc1 ZINC000052571683 522118002 /nfs/dbraw/zinc/11/80/02/522118002.db2.gz UCVPTEXTGCNMQL-UHFFFAOYSA-N 1 3 275.440 2.322 10 0 CEAEHO CC[C@@H](C)N1CCN(Cc2cccc(C[NH2+]C)c2)CC1 ZINC000055073794 522127322 /nfs/dbraw/zinc/12/73/22/522127322.db2.gz DZVZCOKZHGRBDV-OAHLLOKOSA-N 1 3 275.440 2.322 10 0 CEAEHO C[NH2+]Cc1cccc(CN(C)C[C@H]2CCCCO2)c1 ZINC000052507230 522127540 /nfs/dbraw/zinc/12/75/40/522127540.db2.gz WKRBVUOKGQRQGR-MRXNPFEDSA-N 1 3 262.397 2.407 10 0 CEAEHO CC[C@@H]([NH3+])[C@H](N1CCN(CC(C)C)CC1)C(C)(C)C ZINC000055077218 522651227 /nfs/dbraw/zinc/65/12/27/522651227.db2.gz LWCDITSLKIXXMO-CABCVRRESA-N 1 3 269.477 2.412 10 0 CEAEHO COCCC[N@H+](CCOC)[C@@H]1C[C@@H](C(C)C)CC[C@@H]1N ZINC000054555533 523258205 /nfs/dbraw/zinc/25/82/05/523258205.db2.gz MSBHDFAEJZAOKH-HRCADAONSA-N 1 3 286.460 2.123 10 0 CEAEHO COCCC[N@@H+](CCOC)[C@@H]1C[C@@H](C(C)C)CC[C@@H]1N ZINC000054555533 523258211 /nfs/dbraw/zinc/25/82/11/523258211.db2.gz MSBHDFAEJZAOKH-HRCADAONSA-N 1 3 286.460 2.123 10 0 CEAEHO CN([C@@H](CC[NH3+])c1ccccc1)[C@@H]1CCCN(C)C1 ZINC000055017738 523625123 /nfs/dbraw/zinc/62/51/23/523625123.db2.gz AWDTTZCHJQZMOC-CVEARBPZSA-N 1 3 261.413 2.103 10 0 CEAEHO CN(c1nc(C2CC2)c(C[NH3+])s1)[C@H]1CCCN(C)C1 ZINC000069180126 523664093 /nfs/dbraw/zinc/66/40/93/523664093.db2.gz BRAUHGMLZYAWPZ-NSHDSACASA-N 1 3 280.441 2.010 10 0 CEAEHO CN1CCCN(Cc2occc2C[NH2+]C(C)(C)C)CC1 ZINC000052424176 523810054 /nfs/dbraw/zinc/81/00/54/523810054.db2.gz YZOKOVVTRJCDPZ-UHFFFAOYSA-N 1 3 279.428 2.305 10 0 CEAEHO CC[C@H](C)N1CCN(Cc2cccc(C[NH2+]C)c2)CC1 ZINC000055073798 523956825 /nfs/dbraw/zinc/95/68/25/523956825.db2.gz DZVZCOKZHGRBDV-HNNXBMFYSA-N 1 3 275.440 2.322 10 0 CEAEHO Cc1cc(CN(CC[NH+](C)C)CC(C)C)oc1CN ZINC000052503345 524667140 /nfs/dbraw/zinc/66/71/40/524667140.db2.gz MMMAAKDYHBJFBT-UHFFFAOYSA-N 1 3 267.417 2.066 10 0 CEAEHO C[C@H](N)[C@H]([N@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050514055 524851906 /nfs/dbraw/zinc/85/19/06/524851906.db2.gz ICXKGIAZPOIDDM-ZFWWWQNUSA-N 1 3 264.413 2.243 10 0 CEAEHO C[C@H](N)[C@H]([N@@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050514055 524851915 /nfs/dbraw/zinc/85/19/15/524851915.db2.gz ICXKGIAZPOIDDM-ZFWWWQNUSA-N 1 3 264.413 2.243 10 0 CEAEHO Cc1ccc([C@@H](N)CC[N@H+]2CCC[C@@H]2CN(C)C)cc1 ZINC000061653675 525766105 /nfs/dbraw/zinc/76/61/05/525766105.db2.gz FCKJNTKUPXYKJC-SJORKVTESA-N 1 3 275.440 2.411 10 0 CEAEHO Cc1ccc([C@@H](N)CC[N@@H+]2CCC[C@@H]2CN(C)C)cc1 ZINC000061653675 525766115 /nfs/dbraw/zinc/76/61/15/525766115.db2.gz FCKJNTKUPXYKJC-SJORKVTESA-N 1 3 275.440 2.411 10 0 CEAEHO Cc1ccc([C@@H](N)CN2CC[C@H]([NH+]3CCCC3)C2)cc1C ZINC000062979117 525766727 /nfs/dbraw/zinc/76/67/27/525766727.db2.gz DZWRCZHRRIZCHQ-ROUUACIJSA-N 1 3 287.451 2.473 10 0 CEAEHO NC(=[NH2+])c1ncccc1CN1CC[C@@H]2CCCC[C@@H]2C1 ZINC000061658043 526825461 /nfs/dbraw/zinc/82/54/61/526825461.db2.gz NAQNYZAPUCGBOO-QWHCGFSZSA-N 1 3 272.396 2.378 10 0 CEAEHO CN(C[C@H](O)CC1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000226467020 639547998 /nfs/dbraw/zinc/54/79/98/639547998.db2.gz KKDYUAJYBYXIIV-HUUCEWRRSA-N 1 3 254.418 2.002 10 0 CEAEHO CN[C@@](C)(CO)CC[NH+]1CCC2(CCCCC2)CC1 ZINC000085212630 178976339 /nfs/dbraw/zinc/97/63/39/178976339.db2.gz WJNWLHDUMRXLAY-OAHLLOKOSA-N 1 3 268.445 2.393 10 0 CEAEHO C[NH2+][C@@](C)(CO)CCN1CCC2(CCCCC2)CC1 ZINC000085212630 178976342 /nfs/dbraw/zinc/97/63/42/178976342.db2.gz WJNWLHDUMRXLAY-OAHLLOKOSA-N 1 3 268.445 2.393 10 0 CEAEHO C[C@H]1CCN[C@H](C2CC2)C[N@@H+]1CCCOCC(F)(F)F ZINC000085626726 179106976 /nfs/dbraw/zinc/10/69/76/179106976.db2.gz ONYIYUGTBSCRGM-AAEUAGOBSA-N 1 3 294.361 2.418 10 0 CEAEHO C[C@H]1CCN[C@H](C2CC2)C[N@H+]1CCCOCC(F)(F)F ZINC000085626726 179106977 /nfs/dbraw/zinc/10/69/77/179106977.db2.gz ONYIYUGTBSCRGM-AAEUAGOBSA-N 1 3 294.361 2.418 10 0 CEAEHO C[C@H]1CC[NH2+][C@H](C2CC2)CN1CCCOCC(F)(F)F ZINC000085626726 179106979 /nfs/dbraw/zinc/10/69/79/179106979.db2.gz ONYIYUGTBSCRGM-AAEUAGOBSA-N 1 3 294.361 2.418 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CCCN1 ZINC000085609439 179101114 /nfs/dbraw/zinc/10/11/14/179101114.db2.gz ULLRVVFDJUXDNO-KKUMJFAQSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)CCCN1 ZINC000085609439 179101115 /nfs/dbraw/zinc/10/11/15/179101115.db2.gz ULLRVVFDJUXDNO-KKUMJFAQSA-N 1 3 254.418 2.266 10 0 CEAEHO C([C@@H]1CCCCO1)[N@@H+]1CCCNC2(CCCC2)C1 ZINC000085612615 179102387 /nfs/dbraw/zinc/10/23/87/179102387.db2.gz QDJHGJYYOAHMLW-AWEZNQCLSA-N 1 3 252.402 2.164 10 0 CEAEHO C([C@@H]1CCCCO1)[N@H+]1CCCNC2(CCCC2)C1 ZINC000085612615 179102388 /nfs/dbraw/zinc/10/23/88/179102388.db2.gz QDJHGJYYOAHMLW-AWEZNQCLSA-N 1 3 252.402 2.164 10 0 CEAEHO CC(C)OCCN1CC2(CCCC2)[NH2+]CC[C@H]1C ZINC000085623126 179105218 /nfs/dbraw/zinc/10/52/18/179105218.db2.gz NWPBFHVLYGIZLP-CQSZACIVSA-N 1 3 254.418 2.408 10 0 CEAEHO CC(C)OCC[N@@H+]1CC2(CCCC2)NCC[C@H]1C ZINC000085623126 179105220 /nfs/dbraw/zinc/10/52/20/179105220.db2.gz NWPBFHVLYGIZLP-CQSZACIVSA-N 1 3 254.418 2.408 10 0 CEAEHO CC(C)OCC[N@H+]1CC2(CCCC2)NCC[C@H]1C ZINC000085623126 179105222 /nfs/dbraw/zinc/10/52/22/179105222.db2.gz NWPBFHVLYGIZLP-CQSZACIVSA-N 1 3 254.418 2.408 10 0 CEAEHO Cc1cc(CNCCC[NH3+])ccc1Br ZINC000085706765 179121889 /nfs/dbraw/zinc/12/18/89/179121889.db2.gz SFOSFVLWCBQQDT-UHFFFAOYSA-N 1 3 257.175 2.196 10 0 CEAEHO CC[N@@H+]1CCC[C@@H](N2CCN[C@H](c3ccccc3)C2)C1 ZINC000086143127 179237584 /nfs/dbraw/zinc/23/75/84/179237584.db2.gz LQTIJYQOZUTXGS-SJORKVTESA-N 1 3 273.424 2.117 10 0 CEAEHO CC[N@H+]1CCC[C@@H](N2CCN[C@H](c3ccccc3)C2)C1 ZINC000086143127 179237586 /nfs/dbraw/zinc/23/75/86/179237586.db2.gz LQTIJYQOZUTXGS-SJORKVTESA-N 1 3 273.424 2.117 10 0 CEAEHO CC[C@@H](C)[C@H]1C[N@@H+]([C@@H]2CN3CCC2CC3)[C@H](C(C)C)CN1 ZINC000086152517 179240561 /nfs/dbraw/zinc/24/05/61/179240561.db2.gz WBWGRBALPNLNLJ-NRSFXHEJSA-N 1 3 293.499 2.425 10 0 CEAEHO CC[C@@H](C)[C@H]1C[N@H+]([C@@H]2CN3CCC2CC3)[C@H](C(C)C)CN1 ZINC000086152517 179240563 /nfs/dbraw/zinc/24/05/63/179240563.db2.gz WBWGRBALPNLNLJ-NRSFXHEJSA-N 1 3 293.499 2.425 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@@H+]([C@@H]2CN3CCC2CC3)[C@H](C(C)C)CN1 ZINC000086152518 179240696 /nfs/dbraw/zinc/24/06/96/179240696.db2.gz WBWGRBALPNLNLJ-XOYOTBSWSA-N 1 3 293.499 2.425 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@H+]([C@@H]2CN3CCC2CC3)[C@H](C(C)C)CN1 ZINC000086152518 179240697 /nfs/dbraw/zinc/24/06/97/179240697.db2.gz WBWGRBALPNLNLJ-XOYOTBSWSA-N 1 3 293.499 2.425 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@@H+]([C@@H]2CCCN(C)C2)[C@@H](CC)CN1 ZINC000086172110 179244248 /nfs/dbraw/zinc/24/42/48/179244248.db2.gz MXMXENWEPUIIRR-CAOSSQGBSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@H+]([C@@H]2CCCN(C)C2)[C@@H](CC)CN1 ZINC000086172110 179244251 /nfs/dbraw/zinc/24/42/51/179244251.db2.gz MXMXENWEPUIIRR-CAOSSQGBSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H](C)[C@H]1CN([C@@H]2CCCN(C)C2)[C@@H](CC)C[NH2+]1 ZINC000086172110 179244252 /nfs/dbraw/zinc/24/42/52/179244252.db2.gz MXMXENWEPUIIRR-CAOSSQGBSA-N 1 3 267.461 2.179 10 0 CEAEHO CC(C)[N@@H+]1CC[C@@H](CN2CCNC[C@@H]2c2ccccc2)C1 ZINC000086177612 179246990 /nfs/dbraw/zinc/24/69/90/179246990.db2.gz BTKJIWRUZLLTEP-SJLPKXTDSA-N 1 3 287.451 2.363 10 0 CEAEHO CC(C)[N@H+]1CC[C@@H](CN2CCNC[C@@H]2c2ccccc2)C1 ZINC000086177612 179246991 /nfs/dbraw/zinc/24/69/91/179246991.db2.gz BTKJIWRUZLLTEP-SJLPKXTDSA-N 1 3 287.451 2.363 10 0 CEAEHO C1CC1N1CC[C@@H](N2CC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086145989 179238819 /nfs/dbraw/zinc/23/88/19/179238819.db2.gz GFYDQGPBTCNKRR-SJORKVTESA-N 1 3 277.456 2.077 10 0 CEAEHO CC[C@H]1CN[C@@H](CC(C)C)C[N@@H+]1C1CCN(C)CC1 ZINC000086217874 179250039 /nfs/dbraw/zinc/25/00/39/179250039.db2.gz CQURXLGUNUHIAV-GJZGRUSLSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1CN[C@@H](CC(C)C)C[N@H+]1C1CCN(C)CC1 ZINC000086217874 179250042 /nfs/dbraw/zinc/25/00/42/179250042.db2.gz CQURXLGUNUHIAV-GJZGRUSLSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1C[N@H+]([C@@H]2CCCN(CC)C2)[C@H](C(C)C)CN1 ZINC000086225423 179253282 /nfs/dbraw/zinc/25/32/82/179253282.db2.gz FDGQBIACSLYIGE-XHSDSOJGSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1C[N@@H+]([C@@H]2CCCN(CC)C2)[C@H](C(C)C)CN1 ZINC000086225423 179253284 /nfs/dbraw/zinc/25/32/84/179253284.db2.gz FDGQBIACSLYIGE-XHSDSOJGSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1C[NH2+][C@H](CC(C)C)CN1[C@@H]1CCCN(C)C1 ZINC000086224010 179253950 /nfs/dbraw/zinc/25/39/50/179253950.db2.gz GCKFSOSLVDFSLD-BZUAXINKSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1CN[C@H](CC(C)C)C[N@@H+]1[C@@H]1CCCN(C)C1 ZINC000086224010 179253952 /nfs/dbraw/zinc/25/39/52/179253952.db2.gz GCKFSOSLVDFSLD-BZUAXINKSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1CN[C@H](CC(C)C)C[N@H+]1[C@@H]1CCCN(C)C1 ZINC000086224010 179253953 /nfs/dbraw/zinc/25/39/53/179253953.db2.gz GCKFSOSLVDFSLD-BZUAXINKSA-N 1 3 267.461 2.179 10 0 CEAEHO C[C@H]1CN[C@H](c2ccccc2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259584 179257781 /nfs/dbraw/zinc/25/77/81/179257781.db2.gz ZZWYFTQCNFYYNX-QGTPRVQTSA-N 1 3 285.435 2.258 10 0 CEAEHO C[C@H]1CN[C@H](c2ccccc2)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259584 179257784 /nfs/dbraw/zinc/25/77/84/179257784.db2.gz ZZWYFTQCNFYYNX-QGTPRVQTSA-N 1 3 285.435 2.258 10 0 CEAEHO C[C@H]([C@H]1CCCO1)[N@@H+]1CCCNC2(CCCC2)C1 ZINC000086287097 179264165 /nfs/dbraw/zinc/26/41/65/179264165.db2.gz BGLWGTDPGPQTDL-ZIAGYGMSSA-N 1 3 252.402 2.162 10 0 CEAEHO C[C@H]([C@H]1CCCO1)[N@H+]1CCCNC2(CCCC2)C1 ZINC000086287097 179264166 /nfs/dbraw/zinc/26/41/66/179264166.db2.gz BGLWGTDPGPQTDL-ZIAGYGMSSA-N 1 3 252.402 2.162 10 0 CEAEHO C[C@H]([C@H]1CCCO1)N1CCC[NH2+]C2(CCCC2)C1 ZINC000086287097 179264168 /nfs/dbraw/zinc/26/41/68/179264168.db2.gz BGLWGTDPGPQTDL-ZIAGYGMSSA-N 1 3 252.402 2.162 10 0 CEAEHO C[C@@H]([C@@H]1CCCO1)[N@@H+]1CCCN[C@H](C(C)(C)C)C1 ZINC000086287102 179264464 /nfs/dbraw/zinc/26/44/64/179264464.db2.gz ZJVFJQJVDIADGF-IHRRRGAJSA-N 1 3 254.418 2.264 10 0 CEAEHO C[C@@H]([C@@H]1CCCO1)[N@H+]1CCCN[C@H](C(C)(C)C)C1 ZINC000086287102 179264466 /nfs/dbraw/zinc/26/44/66/179264466.db2.gz ZJVFJQJVDIADGF-IHRRRGAJSA-N 1 3 254.418 2.264 10 0 CEAEHO C[C@@H]([C@@H]1CCCO1)N1CCC[NH2+][C@H](C(C)(C)C)C1 ZINC000086287102 179264467 /nfs/dbraw/zinc/26/44/67/179264467.db2.gz ZJVFJQJVDIADGF-IHRRRGAJSA-N 1 3 254.418 2.264 10 0 CEAEHO C[C@@H]1C[N@@H+](C2CCN(Cc3ccccc3)CC2)[C@@H](C)CN1 ZINC000086467133 179297014 /nfs/dbraw/zinc/29/70/14/179297014.db2.gz FASLWRLKEPSYQY-CVEARBPZSA-N 1 3 287.451 2.333 10 0 CEAEHO C[C@@H]1C[N@H+](C2CCN(Cc3ccccc3)CC2)[C@@H](C)CN1 ZINC000086467133 179297016 /nfs/dbraw/zinc/29/70/16/179297016.db2.gz FASLWRLKEPSYQY-CVEARBPZSA-N 1 3 287.451 2.333 10 0 CEAEHO C[C@@H]1CCC[C@]1(C[NH3+])N1CCN(C2CCCC2)CC1 ZINC000086677105 179319432 /nfs/dbraw/zinc/31/94/32/179319432.db2.gz XCGIHNXESYOSDT-GDBMZVCRSA-N 1 3 265.445 2.064 10 0 CEAEHO Cc1cccc(OCCN[C@H]2CCC[N@@H+](C)CC2)c1 ZINC000086818958 179348414 /nfs/dbraw/zinc/34/84/14/179348414.db2.gz QDKPWBSQOKVIKA-HNNXBMFYSA-N 1 3 262.397 2.448 10 0 CEAEHO Cc1cccc(OCCN[C@H]2CCC[N@H+](C)CC2)c1 ZINC000086818958 179348415 /nfs/dbraw/zinc/34/84/15/179348415.db2.gz QDKPWBSQOKVIKA-HNNXBMFYSA-N 1 3 262.397 2.448 10 0 CEAEHO CN1CCC[C@H]([NH2+]Cc2ccccc2-n2cccn2)CC1 ZINC000086818849 179348428 /nfs/dbraw/zinc/34/84/28/179348428.db2.gz QELOEQMJVUJSAQ-INIZCTEOSA-N 1 3 284.407 2.446 10 0 CEAEHO C[N@@H+]1CCC[C@H](NCc2ccccc2-n2cccn2)CC1 ZINC000086818849 179348430 /nfs/dbraw/zinc/34/84/30/179348430.db2.gz QELOEQMJVUJSAQ-INIZCTEOSA-N 1 3 284.407 2.446 10 0 CEAEHO C[N@H+]1CCC[C@H](NCc2ccccc2-n2cccn2)CC1 ZINC000086818849 179348433 /nfs/dbraw/zinc/34/84/33/179348433.db2.gz QELOEQMJVUJSAQ-INIZCTEOSA-N 1 3 284.407 2.446 10 0 CEAEHO Cc1cccc(OCCN[C@@H]2CCC[N@@H+](C)CC2)c1 ZINC000086818957 179348904 /nfs/dbraw/zinc/34/89/04/179348904.db2.gz QDKPWBSQOKVIKA-OAHLLOKOSA-N 1 3 262.397 2.448 10 0 CEAEHO Cc1cccc(OCCN[C@@H]2CCC[N@H+](C)CC2)c1 ZINC000086818957 179348906 /nfs/dbraw/zinc/34/89/06/179348906.db2.gz QDKPWBSQOKVIKA-OAHLLOKOSA-N 1 3 262.397 2.448 10 0 CEAEHO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCCN(C)CC1 ZINC000086818580 179346649 /nfs/dbraw/zinc/34/66/49/179346649.db2.gz RPMMBQBEYBWYOU-HUUCEWRRSA-N 1 3 255.450 2.037 10 0 CEAEHO CC(C)N1CCC[C@@](CN)([N@H+](CC2CC2)C2CC2)CC1 ZINC000086848951 179357875 /nfs/dbraw/zinc/35/78/75/179357875.db2.gz IGWFWNPTDQESBI-QGZVFWFLSA-N 1 3 279.472 2.453 10 0 CEAEHO CC(C)N1CCC[C@@](CN)([N@@H+](CC2CC2)C2CC2)CC1 ZINC000086848951 179357876 /nfs/dbraw/zinc/35/78/76/179357876.db2.gz IGWFWNPTDQESBI-QGZVFWFLSA-N 1 3 279.472 2.453 10 0 CEAEHO CCN1CCC[C@@H]([NH2+]CCOCC(F)(F)F)CC1 ZINC000086845184 179354993 /nfs/dbraw/zinc/35/49/93/179354993.db2.gz YPNCPZMDDVRMJL-LLVKDONJSA-N 1 3 268.323 2.029 10 0 CEAEHO CC[N@@H+]1CCC[C@@H](NCCOCC(F)(F)F)CC1 ZINC000086845184 179354994 /nfs/dbraw/zinc/35/49/94/179354994.db2.gz YPNCPZMDDVRMJL-LLVKDONJSA-N 1 3 268.323 2.029 10 0 CEAEHO CC[N@H+]1CCC[C@@H](NCCOCC(F)(F)F)CC1 ZINC000086845184 179354997 /nfs/dbraw/zinc/35/49/97/179354997.db2.gz YPNCPZMDDVRMJL-LLVKDONJSA-N 1 3 268.323 2.029 10 0 CEAEHO CC[C@H]1CCC[C@@](CO)(N2CCC[NH2+]CC2)CC1 ZINC000086920915 179367929 /nfs/dbraw/zinc/36/79/29/179367929.db2.gz IUMIFPZCPYTOBG-LSDHHAIUSA-N 1 3 254.418 2.003 10 0 CEAEHO CCN1CCC[C@@H]([C@@H](C)[NH2+]CC2(O)CCCCC2)C1 ZINC000087017534 179380576 /nfs/dbraw/zinc/38/05/76/179380576.db2.gz QRAFBLMWXYGNJD-HUUCEWRRSA-N 1 3 268.445 2.392 10 0 CEAEHO CCCN1CCC[C@H]([C@@H](C)[NH2+]CC2(O)CCCC2)C1 ZINC000087016888 179380672 /nfs/dbraw/zinc/38/06/72/179380672.db2.gz JNHUNOVWTSWMHJ-CABCVRRESA-N 1 3 268.445 2.392 10 0 CEAEHO CCC[N@@H+]1CCC[C@H]([C@@H](C)NCC2(O)CCCC2)C1 ZINC000087016888 179380674 /nfs/dbraw/zinc/38/06/74/179380674.db2.gz JNHUNOVWTSWMHJ-CABCVRRESA-N 1 3 268.445 2.392 10 0 CEAEHO CCC[N@H+]1CCC[C@H]([C@@H](C)NCC2(O)CCCC2)C1 ZINC000087016888 179380676 /nfs/dbraw/zinc/38/06/76/179380676.db2.gz JNHUNOVWTSWMHJ-CABCVRRESA-N 1 3 268.445 2.392 10 0 CEAEHO COc1ccc([C@H](C)N[C@@H]2CCC[C@@H]2C[NH3+])cc1OC ZINC000089150251 179725809 /nfs/dbraw/zinc/72/58/09/179725809.db2.gz PRNZXTCZJWLRAY-IACUBPJLSA-N 1 3 278.396 2.482 10 0 CEAEHO CC(C)C[C@@H](C[NH+](C)C)n1cncc1CNC1CC1 ZINC000090241526 179938985 /nfs/dbraw/zinc/93/89/85/179938985.db2.gz DCYKGLFXGCUIAJ-AWEZNQCLSA-N 1 3 264.417 2.284 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[NH2+]Cc1cc(C)c(C)s1 ZINC000090567192 180006409 /nfs/dbraw/zinc/00/64/09/180006409.db2.gz CLNFNXBAMHNIKI-UKRRQHHQSA-N 1 3 282.453 2.469 10 0 CEAEHO CCCN[C@H]1COC[C@@H]1C[NH2+]C1(C)CCCCC1 ZINC000090566663 180006874 /nfs/dbraw/zinc/00/68/74/180006874.db2.gz MSOYEZYYJSNWCO-KBPBESRZSA-N 1 3 254.418 2.313 10 0 CEAEHO CN(CCC[C@@H]1CCCO1)CC[C@@H]1CCCC[NH2+]1 ZINC000090693321 180025451 /nfs/dbraw/zinc/02/54/51/180025451.db2.gz UZMQOVQOQIIPOB-LSDHHAIUSA-N 1 3 254.418 2.410 10 0 CEAEHO CCC[C@H](C[NH3+])N1CCN(C[C@@H]2Cc3ccccc32)CC1 ZINC000090976049 180078776 /nfs/dbraw/zinc/07/87/76/180078776.db2.gz AXYDWAVCCGOMTD-DLBZAZTESA-N 1 3 287.451 2.071 10 0 CEAEHO CC(C)[N@@H+]1CC[C@H](CNCc2c[nH]c3ncccc23)C1 ZINC000091017522 180087308 /nfs/dbraw/zinc/08/73/08/180087308.db2.gz HKPHPZXKNYNPOB-CYBMUJFWSA-N 1 3 272.396 2.383 10 0 CEAEHO CC(C)[N@H+]1CC[C@H](CNCc2c[nH]c3ncccc23)C1 ZINC000091017522 180087311 /nfs/dbraw/zinc/08/73/11/180087311.db2.gz HKPHPZXKNYNPOB-CYBMUJFWSA-N 1 3 272.396 2.383 10 0 CEAEHO CC(C)N1CC[C@H](C[NH2+]Cc2c[nH]c3ncccc23)C1 ZINC000091017522 180087312 /nfs/dbraw/zinc/08/73/12/180087312.db2.gz HKPHPZXKNYNPOB-CYBMUJFWSA-N 1 3 272.396 2.383 10 0 CEAEHO CC(C)C[NH2+]Cc1cnn(CCN(C)C)c1C(C)C ZINC000091338550 180136304 /nfs/dbraw/zinc/13/63/04/180136304.db2.gz JJKIEDVRTJPASX-UHFFFAOYSA-N 1 3 266.433 2.314 10 0 CEAEHO CN(CC[C@H]([NH3+])c1ccc(Cl)cc1)CC1CC(O)C1 ZINC000091489218 180168540 /nfs/dbraw/zinc/16/85/40/180168540.db2.gz GXFKBYURZGUCOK-KWCHVYNWSA-N 1 3 282.815 2.433 10 0 CEAEHO C[NH2+][C@H](C)C(C)(C)CN1CCN(C2CCCC2)CC1 ZINC000091404601 180147202 /nfs/dbraw/zinc/14/72/02/180147202.db2.gz YENMYFMQRNTPPD-CQSZACIVSA-N 1 3 267.461 2.181 10 0 CEAEHO CC(C)(C)[NH2+]CC[C@](C)(O)[C@H]1NCCc2ccccc21 ZINC000091519801 180178107 /nfs/dbraw/zinc/17/81/07/180178107.db2.gz NLJVNCBJOVLMTG-RDJZCZTQSA-N 1 3 276.424 2.403 10 0 CEAEHO CC[NH+](CC)C1([C@@H](NC)[C@@H]2CCOC2)CCCC1 ZINC000091639431 180211990 /nfs/dbraw/zinc/21/19/90/180211990.db2.gz UCDKNTKMDDRVSV-KGLIPLIRSA-N 1 3 254.418 2.266 10 0 CEAEHO CCC[NH2+][C@H](CCN(CC)CC)Cc1ccnc(N)c1 ZINC000091716753 180232655 /nfs/dbraw/zinc/23/26/55/180232655.db2.gz VHPQSDZHJKEVGF-OAHLLOKOSA-N 1 3 278.444 2.306 10 0 CEAEHO CC[C@H]1CCC[C@](C[NH3+])(C2(O)CCN(CC)CC2)C1 ZINC000091906326 180284059 /nfs/dbraw/zinc/28/40/59/180284059.db2.gz UZVUMUDVECCQDF-GJZGRUSLSA-N 1 3 268.445 2.379 10 0 CEAEHO Cc1ccsc1CNCCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092004143 180304735 /nfs/dbraw/zinc/30/47/35/180304735.db2.gz SZGHSSPXKCZINA-CABCVRRESA-N 1 3 293.480 2.315 10 0 CEAEHO Cc1ccsc1CNCCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092004143 180304736 /nfs/dbraw/zinc/30/47/36/180304736.db2.gz SZGHSSPXKCZINA-CABCVRRESA-N 1 3 293.480 2.315 10 0 CEAEHO CC(C)NCc1cccnc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003368 180304830 /nfs/dbraw/zinc/30/48/30/180304830.db2.gz TYKSJBBDNVVZCH-CVEARBPZSA-N 1 3 288.439 2.253 10 0 CEAEHO CC(C)NCc1cccnc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003368 180304831 /nfs/dbraw/zinc/30/48/31/180304831.db2.gz TYKSJBBDNVVZCH-CVEARBPZSA-N 1 3 288.439 2.253 10 0 CEAEHO CC(C)CN(CCC[NH3+])C[C@H]1COc2ccccc21 ZINC000092298829 180358936 /nfs/dbraw/zinc/35/89/36/180358936.db2.gz YBZDAMGAPXHJLY-AWEZNQCLSA-N 1 3 262.397 2.469 10 0 CEAEHO CC(C)C[N@H+](CCCN)C[C@H]1COc2ccccc21 ZINC000092298829 180358937 /nfs/dbraw/zinc/35/89/37/180358937.db2.gz YBZDAMGAPXHJLY-AWEZNQCLSA-N 1 3 262.397 2.469 10 0 CEAEHO CC(C)C[N@@H+](CCCN)C[C@H]1COc2ccccc21 ZINC000092298829 180358940 /nfs/dbraw/zinc/35/89/40/180358940.db2.gz YBZDAMGAPXHJLY-AWEZNQCLSA-N 1 3 262.397 2.469 10 0 CEAEHO CCNc1ccnc(CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000092419141 180382441 /nfs/dbraw/zinc/38/24/41/180382441.db2.gz QLVKJZKHJKRQDQ-MRXNPFEDSA-N 1 3 274.412 2.184 10 0 CEAEHO CCc1ccc([C@@H](C[NH3+])N(C)C[C@@H]2CCCN2C)s1 ZINC000092625402 180417999 /nfs/dbraw/zinc/41/79/99/180417999.db2.gz DJRFGMBDVXZKOO-GXTWGEPZSA-N 1 3 281.469 2.336 10 0 CEAEHO COc1cc2c(cc1F)nc(N)n2C[C@@H]1CCC[N@H+](C)C1 ZINC000110629943 186308075 /nfs/dbraw/zinc/30/80/75/186308075.db2.gz UCPFKJSVXOABTO-SNVBAGLBSA-N 1 3 292.358 2.108 10 0 CEAEHO COc1cc2c(cc1F)nc(N)n2C[C@@H]1CCC[N@@H+](C)C1 ZINC000110629943 186308077 /nfs/dbraw/zinc/30/80/77/186308077.db2.gz UCPFKJSVXOABTO-SNVBAGLBSA-N 1 3 292.358 2.108 10 0 CEAEHO Cc1nn(C)c(C)c1[C@@H](C)N1CCC([C@@H](C)[NH3+])CC1 ZINC000110645660 186309043 /nfs/dbraw/zinc/30/90/43/186309043.db2.gz NIEIIUUVBVBRJP-ZWNOBZJWSA-N 1 3 264.417 2.157 10 0 CEAEHO CN1CCN([C@@H](C[NH3+])c2ccccc2Cl)CC1(C)C ZINC000110921135 186332132 /nfs/dbraw/zinc/33/21/32/186332132.db2.gz GTCVPRMOIGZDTF-AWEZNQCLSA-N 1 3 281.831 2.366 10 0 CEAEHO Cc1ccc([C@H](C[NH3+])N2CCN(CC(C)C)CC2)cc1F ZINC000110977852 186338501 /nfs/dbraw/zinc/33/85/01/186338501.db2.gz DTFWKCSOHZUSNP-KRWDZBQOSA-N 1 3 293.430 2.408 10 0 CEAEHO CC[C@H]1CN([C@@H](CC[NH3+])c2ccccc2)CCN1C ZINC000110706037 186314968 /nfs/dbraw/zinc/31/49/68/186314968.db2.gz NPSAMOYHPKRBPY-HOTGVXAUSA-N 1 3 261.413 2.103 10 0 CEAEHO CC[C@H]1CN(C[C@@](C)(CC)C[NH2+]C2CC2)CCN1C ZINC000110746536 186319323 /nfs/dbraw/zinc/31/93/23/186319323.db2.gz ZBMJZYSPPATTKU-HOTGVXAUSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@H]1CN(C[C@@](C)(C[NH2+]C)c2ccccc2)CCN1C ZINC000110746454 186319501 /nfs/dbraw/zinc/31/95/01/186319501.db2.gz HYBJXWSHWVGYRR-ZWKOTPCHSA-N 1 3 289.467 2.190 10 0 CEAEHO CN1CCN(CC2(C[NH2+]C3CC3)CCCC2)CC1(C)C ZINC000110747159 186319900 /nfs/dbraw/zinc/31/99/00/186319900.db2.gz CHSOPSVCJWKFMG-UHFFFAOYSA-N 1 3 279.472 2.325 10 0 CEAEHO CCC[NH2+]C[C@](C)(CC)CN1CCN(C)C(C)(C)C1 ZINC000110747264 186320076 /nfs/dbraw/zinc/32/00/76/186320076.db2.gz XXDZXIZSKKTLJP-INIZCTEOSA-N 1 3 269.477 2.428 10 0 CEAEHO C[C@H]1CN(Cc2cccc(C[NH2+]C3CC3)c2)CCN1C ZINC000110751487 186320423 /nfs/dbraw/zinc/32/04/23/186320423.db2.gz GMHWLJNPINIZFN-AWEZNQCLSA-N 1 3 273.424 2.075 10 0 CEAEHO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CN1CCN(C)C(C)(C)C1 ZINC000110746823 186320875 /nfs/dbraw/zinc/32/08/75/186320875.db2.gz SMOUGKHKCCYQBY-BZUAXINKSA-N 1 3 281.488 2.427 10 0 CEAEHO CCN1CCN([C@@H](C)CC[NH2+]C(C)(C)C)C[C@@H]1C ZINC000110753311 186322206 /nfs/dbraw/zinc/32/22/06/186322206.db2.gz CQWAMXQAQUFILZ-KBPBESRZSA-N 1 3 255.450 2.179 10 0 CEAEHO C[N@@H+]1CCC[C@@H]1CCOc1ccc(F)cc1CN ZINC000111028553 186345895 /nfs/dbraw/zinc/34/58/95/186345895.db2.gz KVSMCZJIJAAZMR-CYBMUJFWSA-N 1 3 252.333 2.148 10 0 CEAEHO C[N@H+]1CCC[C@@H]1CCOc1ccc(F)cc1CN ZINC000111028553 186345897 /nfs/dbraw/zinc/34/58/97/186345897.db2.gz KVSMCZJIJAAZMR-CYBMUJFWSA-N 1 3 252.333 2.148 10 0 CEAEHO CC[NH+](CC)[C@H]1CCN([C@@H](CN)c2cccc(F)c2F)C1 ZINC000111040061 186346853 /nfs/dbraw/zinc/34/68/53/186346853.db2.gz ZUFKLTNTEAWWLL-WFASDCNBSA-N 1 3 297.393 2.381 10 0 CEAEHO CN(C)CCN(C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000111131966 186356452 /nfs/dbraw/zinc/35/64/52/186356452.db2.gz IDUCTYVACYWROC-QLFBSQMISA-N 1 3 269.477 2.270 10 0 CEAEHO CC[NH2+][C@H](C)c1ccc(OC)c(CN(C)CCN(C)C)c1 ZINC000111135503 186357296 /nfs/dbraw/zinc/35/72/96/186357296.db2.gz KXLHFLZXJBXAQR-CQSZACIVSA-N 1 3 293.455 2.359 10 0 CEAEHO CCN[C@H](CN(C)CC[NH+](C)C)c1cc(C)ccc1OC ZINC000111135152 186357846 /nfs/dbraw/zinc/35/78/46/186357846.db2.gz XJKMUWIQRGGQTR-MRXNPFEDSA-N 1 3 293.455 2.148 10 0 CEAEHO CN(CCC[NH2+]C1CCCC1)CC1CCOCC1 ZINC000111176937 186365519 /nfs/dbraw/zinc/36/55/19/186365519.db2.gz KPOYVWXALYZBQO-UHFFFAOYSA-N 1 3 254.418 2.267 10 0 CEAEHO CC(C)C[NH2+]CC[C@@H](C)N(C)CC1CCOCC1 ZINC000111175703 186365935 /nfs/dbraw/zinc/36/59/35/186365935.db2.gz QCPUXJXVXUKSMD-CQSZACIVSA-N 1 3 256.434 2.369 10 0 CEAEHO CN[C@H]1CCCC[C@@H]1C[N@H+](C)CC1CCOCC1 ZINC000111172685 186365970 /nfs/dbraw/zinc/36/59/70/186365970.db2.gz MZIXGOHHNFXBMX-CABCVRRESA-N 1 3 254.418 2.123 10 0 CEAEHO CN[C@H]1CCCC[C@@H]1C[N@@H+](C)CC1CCOCC1 ZINC000111172685 186365972 /nfs/dbraw/zinc/36/59/72/186365972.db2.gz MZIXGOHHNFXBMX-CABCVRRESA-N 1 3 254.418 2.123 10 0 CEAEHO C[NH2+][C@H]1CCCC[C@@H]1CN(C)CC1CCOCC1 ZINC000111172685 186365974 /nfs/dbraw/zinc/36/59/74/186365974.db2.gz MZIXGOHHNFXBMX-CABCVRRESA-N 1 3 254.418 2.123 10 0 CEAEHO C[C@H]([NH3+])Cc1cc(F)c(N2CCC[C@@H]2CN(C)C)c(F)c1 ZINC000111496670 186424339 /nfs/dbraw/zinc/42/43/39/186424339.db2.gz TXWPESWVYRKNSV-WCQYABFASA-N 1 3 297.393 2.385 10 0 CEAEHO CO[C@H]1CN(CCC(C)(C)C2CC2)[C@@](C)(C[NH3+])C1 ZINC000630369557 351714256 /nfs/dbraw/zinc/71/42/56/351714256.db2.gz WJHCKBUZBGMYIT-UKRRQHHQSA-N 1 3 254.418 2.251 10 0 CEAEHO CCOc1cc(C[N@H+](C)C[C@H]2CCN(C)C2)ccc1O ZINC000211474384 539827089 /nfs/dbraw/zinc/82/70/89/539827089.db2.gz VLNWWACFCVPASP-AWEZNQCLSA-N 1 3 278.396 2.174 10 0 CEAEHO CCOc1cc(C[N@@H+](C)C[C@H]2CCN(C)C2)ccc1O ZINC000211474384 539827091 /nfs/dbraw/zinc/82/70/91/539827091.db2.gz VLNWWACFCVPASP-AWEZNQCLSA-N 1 3 278.396 2.174 10 0 CEAEHO Cc1cc(C)cc(OCCN2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631843666 367586181 /nfs/dbraw/zinc/58/61/81/367586181.db2.gz RIOZBCJQKNCGAH-LSDHHAIUSA-N 1 3 262.397 2.209 10 0 CEAEHO Cc1cnn(CCN[C@@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000235123927 370556569 /nfs/dbraw/zinc/55/65/69/370556569.db2.gz SPCHNZMMKRYBJC-LSDHHAIUSA-N 1 3 264.417 2.092 10 0 CEAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc4c(c3)CCC4)C[C@H]12 ZINC000261607313 371674631 /nfs/dbraw/zinc/67/46/31/371674631.db2.gz RRCBDNXCLZXDLL-YESZJQIVSA-N 1 3 256.393 2.344 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc4c(c3)CCC4)C[C@H]12 ZINC000261607312 371675618 /nfs/dbraw/zinc/67/56/18/371675618.db2.gz RRCBDNXCLZXDLL-IXDOHACOSA-N 1 3 256.393 2.344 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H](CN2CCN(c3ccccc3F)CC2)C1 ZINC000091539834 135071628 /nfs/dbraw/zinc/07/16/28/135071628.db2.gz SPXAQKBSWTWBAK-ZIAGYGMSSA-N 1 3 277.387 2.075 10 0 CEAEHO COc1ccc2c(c1)CCN(C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261794320 394607619 /nfs/dbraw/zinc/60/76/19/394607619.db2.gz GIQADEPUMOIGKV-CQSZACIVSA-N 1 3 274.408 2.095 10 0 CEAEHO COc1ccc2c(c1)CC[N@@H+](C[C@@H]1CCCNC1)CC2 ZINC000261794320 394607620 /nfs/dbraw/zinc/60/76/20/394607620.db2.gz GIQADEPUMOIGKV-CQSZACIVSA-N 1 3 274.408 2.095 10 0 CEAEHO COc1ccc2c(c1)CC[N@H+](C[C@@H]1CCCNC1)CC2 ZINC000261794320 394607624 /nfs/dbraw/zinc/60/76/24/394607624.db2.gz GIQADEPUMOIGKV-CQSZACIVSA-N 1 3 274.408 2.095 10 0 CEAEHO CC[C@H](C)[C@@H](N)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000262975849 154001749 /nfs/dbraw/zinc/00/17/49/154001749.db2.gz YBYKOPDTXJKKCH-JCURWCKSSA-N 1 3 299.418 2.329 10 0 CEAEHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000263234358 154043036 /nfs/dbraw/zinc/04/30/36/154043036.db2.gz NUQSZGDMVBWXHY-ZJPYXAASSA-N 1 3 288.435 2.273 10 0 CEAEHO Cc1ccc(C)c(OC[C@H](CC[NH3+])N2CCCC2)c1 ZINC000020402073 171182379 /nfs/dbraw/zinc/18/23/79/171182379.db2.gz NGKPDNIZHZSKGR-HNNXBMFYSA-N 1 3 262.397 2.495 10 0 CEAEHO CSc1ccc([C@@H](C[NH3+])N2CCCN(C)CC2)cc1 ZINC000020523755 171236662 /nfs/dbraw/zinc/23/66/62/171236662.db2.gz JKTKWTSAJLOUFR-OAHLLOKOSA-N 1 3 279.453 2.046 10 0 CEAEHO C[C@@H](C(=O)Nc1ccccc1C[NH3+])N1C[C@H](C)C[C@H](C)C1 ZINC000022214155 171375160 /nfs/dbraw/zinc/37/51/60/171375160.db2.gz XIZPWGDQOPXSHA-MJBXVCDLSA-N 1 3 289.423 2.450 10 0 CEAEHO CN(CC(=O)Nc1ccccc1C[NH3+])C1CCCCC1 ZINC000022214878 171375523 /nfs/dbraw/zinc/37/55/23/171375523.db2.gz HULQCSCFSPJLCH-UHFFFAOYSA-N 1 3 275.396 2.348 10 0 CEAEHO CCN(CC)CC[NH2+]C1CCN(CC=C(C)C)CC1 ZINC000037202054 173026197 /nfs/dbraw/zinc/02/61/97/173026197.db2.gz VUVQABWETVJOIN-UHFFFAOYSA-N 1 3 267.461 2.348 10 0 CEAEHO [NH3+]C1CCN([C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000037325913 173126666 /nfs/dbraw/zinc/12/66/66/173126666.db2.gz HBPHSUKGFDWWGT-QGZVFWFLSA-N 1 3 273.424 2.074 10 0 CEAEHO C[C@@H]([NH3+])[C@H](c1ccccc1)N1CCN(C(C)(C)C)CC1 ZINC000042902030 174906352 /nfs/dbraw/zinc/90/63/52/174906352.db2.gz XENDTYSWSVTISN-GDBMZVCRSA-N 1 3 275.440 2.491 10 0 CEAEHO Cc1ccc([C@@H]([C@@H](C)[NH3+])N(C)C2CCN(C)CC2)o1 ZINC000043363792 175024297 /nfs/dbraw/zinc/02/42/97/175024297.db2.gz JPGMKMXMVKODCQ-IUODEOHRSA-N 1 3 265.401 2.002 10 0 CEAEHO CC[C@H]([C@@H]([NH2+]C)c1ccccc1)N1CCCN(C)CC1 ZINC000043818241 175112913 /nfs/dbraw/zinc/11/29/13/175112913.db2.gz CRUHXEXWLMSRTL-SJORKVTESA-N 1 3 275.440 2.363 10 0 CEAEHO C[NH2+][C@H]1c2ccccc2CC[C@@H]1N1CCN(C(C)C)CC1 ZINC000043897007 175119858 /nfs/dbraw/zinc/11/98/58/175119858.db2.gz FIHKGXYIQWPHAI-ROUUACIJSA-N 1 3 287.451 2.288 10 0 CEAEHO CC[C@@H]1CC[C@H](NC)[C@H]([N@H+](C)C2CCOCC2)C1 ZINC000043898150 175121504 /nfs/dbraw/zinc/12/15/04/175121504.db2.gz UAWXYWJJUMKVLA-VHDGCEQUSA-N 1 3 254.418 2.264 10 0 CEAEHO CC[C@@H]1CC[C@H](NC)[C@H]([N@@H+](C)C2CCOCC2)C1 ZINC000043898150 175121505 /nfs/dbraw/zinc/12/15/05/175121505.db2.gz UAWXYWJJUMKVLA-VHDGCEQUSA-N 1 3 254.418 2.264 10 0 CEAEHO CCC[NH2+][C@H]1CCC[C@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965694 175127089 /nfs/dbraw/zinc/12/70/89/175127089.db2.gz YRBINQMFBIRAHH-LSDHHAIUSA-N 1 3 267.461 2.323 10 0 CEAEHO CCN[C@H]1CCOC[C@H]1[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073258 175302413 /nfs/dbraw/zinc/30/24/13/175302413.db2.gz ZRNNDKIDIJSTHT-ARFHVFGLSA-N 1 3 266.429 2.408 10 0 CEAEHO CCN[C@H]1CCOC[C@H]1[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073258 175302416 /nfs/dbraw/zinc/30/24/16/175302416.db2.gz ZRNNDKIDIJSTHT-ARFHVFGLSA-N 1 3 266.429 2.408 10 0 CEAEHO CC[N@H+](CCCC[C@](C)(N)C(N)=O)C1CCCCC1 ZINC000045372303 175364836 /nfs/dbraw/zinc/36/48/36/175364836.db2.gz PTTVTDKNHCNETF-HNNXBMFYSA-N 1 3 269.433 2.014 10 0 CEAEHO CC[N@@H+](CCCC[C@](C)(N)C(N)=O)C1CCCCC1 ZINC000045372303 175364837 /nfs/dbraw/zinc/36/48/37/175364837.db2.gz PTTVTDKNHCNETF-HNNXBMFYSA-N 1 3 269.433 2.014 10 0 CEAEHO CCC[N@H+](CCCC[C@](C)(NC1CC1)C(N)=O)C(C)C ZINC000045385917 175371753 /nfs/dbraw/zinc/37/17/53/175371753.db2.gz AXTHJHOUBYJMGC-INIZCTEOSA-N 1 3 283.460 2.273 10 0 CEAEHO CCC[N@@H+](CCCC[C@](C)(NC1CC1)C(N)=O)C(C)C ZINC000045385917 175371754 /nfs/dbraw/zinc/37/17/54/175371754.db2.gz AXTHJHOUBYJMGC-INIZCTEOSA-N 1 3 283.460 2.273 10 0 CEAEHO c1ccc2c(c1)CCO[C@@H]2C[NH2+]CCCN1CCCC1 ZINC000071091168 176031454 /nfs/dbraw/zinc/03/14/54/176031454.db2.gz IITOWJGCWNKHNP-QGZVFWFLSA-N 1 3 274.408 2.376 10 0 CEAEHO C[NH2+]CC1CCN(C[C@H]2OCCc3ccccc32)CC1 ZINC000071091592 176031941 /nfs/dbraw/zinc/03/19/41/176031941.db2.gz SMBBTLSVJSNCAO-QGZVFWFLSA-N 1 3 274.408 2.232 10 0 CEAEHO CC[C@@H]1CCC[C@@](CN)([N@H+](C)CCCN(C)C)C1 ZINC000071124980 176035206 /nfs/dbraw/zinc/03/52/06/176035206.db2.gz MEXUIRHKVXDQSD-HUUCEWRRSA-N 1 3 255.450 2.168 10 0 CEAEHO CC[C@@H]1CCC[C@@](CN)([N@@H+](C)CCCN(C)C)C1 ZINC000071124980 176035207 /nfs/dbraw/zinc/03/52/07/176035207.db2.gz MEXUIRHKVXDQSD-HUUCEWRRSA-N 1 3 255.450 2.168 10 0 CEAEHO C[NH2+]C[C@H]1CCN([C@@H](C)Cc2ccc(OC)cc2)C1 ZINC000071169823 176050340 /nfs/dbraw/zinc/05/03/40/176050340.db2.gz AYCBJHZYBMVMCN-DZGCQCFKSA-N 1 3 262.397 2.168 10 0 CEAEHO CN1CC[C@H](C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000071170256 176050854 /nfs/dbraw/zinc/05/08/54/176050854.db2.gz NVZNMNUFZHZLFO-CQSZACIVSA-N 1 3 274.408 2.441 10 0 CEAEHO CCc1ccc([C@H](CN)N(C)C[C@@H]2CC[N@H+](C)C2)s1 ZINC000071188365 176063081 /nfs/dbraw/zinc/06/30/81/176063081.db2.gz UCPMWAWXWQIMKD-OCCSQVGLSA-N 1 3 281.469 2.194 10 0 CEAEHO CCc1ccc([C@H](CN)N(C)C[C@@H]2CC[N@@H+](C)C2)s1 ZINC000071188365 176063082 /nfs/dbraw/zinc/06/30/82/176063082.db2.gz UCPMWAWXWQIMKD-OCCSQVGLSA-N 1 3 281.469 2.194 10 0 CEAEHO CN[C@@H](CC[N@H+](C)C[C@@H]1CCN(C)C1)c1cccc(F)c1 ZINC000071191258 176069318 /nfs/dbraw/zinc/06/93/18/176069318.db2.gz GYFPWZQSIHDBCX-PBHICJAKSA-N 1 3 293.430 2.360 10 0 CEAEHO CN[C@@H](CC[N@@H+](C)C[C@@H]1CCN(C)C1)c1cccc(F)c1 ZINC000071191258 176069320 /nfs/dbraw/zinc/06/93/20/176069320.db2.gz GYFPWZQSIHDBCX-PBHICJAKSA-N 1 3 293.430 2.360 10 0 CEAEHO CN(C[C@@H]1CC[N@H+](C)C1)c1cccc(CNC(C)(C)C)n1 ZINC000071191782 176071141 /nfs/dbraw/zinc/07/11/41/176071141.db2.gz VMXLTDKMZCUQPE-CQSZACIVSA-N 1 3 290.455 2.358 10 0 CEAEHO CN(C[C@@H]1CC[N@@H+](C)C1)c1cccc(CNC(C)(C)C)n1 ZINC000071191782 176071142 /nfs/dbraw/zinc/07/11/42/176071142.db2.gz VMXLTDKMZCUQPE-CQSZACIVSA-N 1 3 290.455 2.358 10 0 CEAEHO CC(C)NCc1ccc(CN(C)C[C@@H]2CC[N@H+](C)C2)o1 ZINC000071191958 176071807 /nfs/dbraw/zinc/07/18/07/176071807.db2.gz DHJLRSDVSFHLRK-CQSZACIVSA-N 1 3 279.428 2.161 10 0 CEAEHO CC(C)NCc1ccc(CN(C)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC000071191958 176071808 /nfs/dbraw/zinc/07/18/08/176071808.db2.gz DHJLRSDVSFHLRK-CQSZACIVSA-N 1 3 279.428 2.161 10 0 CEAEHO Cc1cc(CN(C)C[C@H]2CC[N@H+](C)C2)oc1CNC1CC1 ZINC000071192041 176074100 /nfs/dbraw/zinc/07/41/00/176074100.db2.gz RRAYATXOAMCQSH-AWEZNQCLSA-N 1 3 291.439 2.224 10 0 CEAEHO Cc1cc(CN(C)C[C@H]2CC[N@@H+](C)C2)oc1CNC1CC1 ZINC000071192041 176074101 /nfs/dbraw/zinc/07/41/01/176074101.db2.gz RRAYATXOAMCQSH-AWEZNQCLSA-N 1 3 291.439 2.224 10 0 CEAEHO COCCN(Cc1ccc(F)cc1C(N)=[NH2+])[C@@H](C)C1CC1 ZINC000071267911 176101521 /nfs/dbraw/zinc/10/15/21/176101521.db2.gz VEUKBGKZHKKNLP-NSHDSACASA-N 1 3 293.386 2.357 10 0 CEAEHO C[N@H+]1[C@@H]2CC[C@H]1CC(CNCc1cnn3ccccc13)C2 ZINC000071373164 176138180 /nfs/dbraw/zinc/13/81/80/176138180.db2.gz UBXZILGYNKZPJA-VHRNVKJDSA-N 1 3 284.407 2.297 10 0 CEAEHO C[N@@H+]1[C@@H]2CC[C@H]1CC(CNCc1cnn3ccccc13)C2 ZINC000071373164 176138182 /nfs/dbraw/zinc/13/81/82/176138182.db2.gz UBXZILGYNKZPJA-VHRNVKJDSA-N 1 3 284.407 2.297 10 0 CEAEHO C[NH2+]Cc1ccc(OCCN(C)C)c(C(F)(F)F)c1 ZINC000071398578 176151682 /nfs/dbraw/zinc/15/16/82/176151682.db2.gz SMNNDJJFBRQZMT-UHFFFAOYSA-N 1 3 276.302 2.365 10 0 CEAEHO CC(C)[C@H](CN(C)C)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071401194 176153473 /nfs/dbraw/zinc/15/34/73/176153473.db2.gz QQEGKOFHSVSNQA-CVEARBPZSA-N 1 3 291.439 2.169 10 0 CEAEHO C[C@@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000400767032 278284345 /nfs/dbraw/zinc/28/43/45/278284345.db2.gz ZIFSOCWJOPTZAH-ZOBUZTSGSA-N 1 3 275.440 2.095 10 0 CEAEHO CC(C)C[C@H](CN(C)C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251431694 279133831 /nfs/dbraw/zinc/13/38/31/279133831.db2.gz SCRXJASFXNLERZ-OAGGEKHMSA-N 1 3 267.461 2.179 10 0 CEAEHO CC(C)C[C@H](CN(C)C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251431694 279133833 /nfs/dbraw/zinc/13/38/33/279133833.db2.gz SCRXJASFXNLERZ-OAGGEKHMSA-N 1 3 267.461 2.179 10 0 CEAEHO CCC[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N(C)C ZINC000245729497 280258711 /nfs/dbraw/zinc/25/87/11/280258711.db2.gz YILRSVIEIFJHRT-CVEARBPZSA-N 1 3 297.487 2.345 10 0 CEAEHO CCC[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)N(C)C ZINC000245729497 280258715 /nfs/dbraw/zinc/25/87/15/280258715.db2.gz YILRSVIEIFJHRT-CVEARBPZSA-N 1 3 297.487 2.345 10 0 CEAEHO C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCCNC1 ZINC000566967549 299032378 /nfs/dbraw/zinc/03/23/78/299032378.db2.gz GWMZKUWRQGAZHN-RGCMKSIDSA-N 1 3 254.418 2.168 10 0 CEAEHO CC(C)C[NH2+]C[C@@H](C(C)C)N1CCN(C(C)C)CC1 ZINC000052479962 519744647 /nfs/dbraw/zinc/74/46/47/519744647.db2.gz SWYTYAPSJUSEKC-INIZCTEOSA-N 1 3 269.477 2.283 10 0 CEAEHO CCC[NH2+]CC[C@H](C)N(CCN(C)C)CC(C)C ZINC000052503419 519919599 /nfs/dbraw/zinc/91/95/99/519919599.db2.gz RBYVVUANWGLKLP-HNNXBMFYSA-N 1 3 257.466 2.284 10 0 CEAEHO CCC[NH2+]C[C@H](OCCN(C)C)c1ccccc1 ZINC000052669928 519933061 /nfs/dbraw/zinc/93/30/61/519933061.db2.gz DSXMJJDGLKMNRK-HNNXBMFYSA-N 1 3 250.386 2.306 10 0 CEAEHO CC[NH2+][C@@H](CN1CCN([C@H](C)CC)CC1)C(C)(C)C ZINC000055065944 520100473 /nfs/dbraw/zinc/10/04/73/520100473.db2.gz KAVOFMLAVSPVIO-CABCVRRESA-N 1 3 269.477 2.427 10 0 CEAEHO CC[NH2+][C@H]1CCCC[C@H]1N1CCN(CC(C)C)CC1 ZINC000055079162 520214022 /nfs/dbraw/zinc/21/40/22/520214022.db2.gz QKGLPAWZFDHCMJ-JKSUJKDBSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1CN(C)C[C@@H](C)O ZINC000054560657 520218443 /nfs/dbraw/zinc/21/84/43/520218443.db2.gz TWVMCQIOBJVZPR-FPCVCCKLSA-N 1 3 270.461 2.349 10 0 CEAEHO CCCN(Cc1ccccc1)C[C@H](C[NH3+])OCC ZINC000062739587 521687338 /nfs/dbraw/zinc/68/73/38/521687338.db2.gz YGRASCCYZSDMPQ-HNNXBMFYSA-N 1 3 250.386 2.262 10 0 CEAEHO CCC[N@@H+](Cc1ccccc1)C[C@H](CN)OCC ZINC000062739587 521687339 /nfs/dbraw/zinc/68/73/39/521687339.db2.gz YGRASCCYZSDMPQ-HNNXBMFYSA-N 1 3 250.386 2.262 10 0 CEAEHO CCC[N@H+](Cc1ccccc1)C[C@H](CN)OCC ZINC000062739587 521687343 /nfs/dbraw/zinc/68/73/43/521687343.db2.gz YGRASCCYZSDMPQ-HNNXBMFYSA-N 1 3 250.386 2.262 10 0 CEAEHO C[NH2+]C[C@H](OCCN1CCCCC1)c1ccccc1 ZINC000052671094 522076641 /nfs/dbraw/zinc/07/66/41/522076641.db2.gz HGCZSSSRIGTLQH-INIZCTEOSA-N 1 3 262.397 2.450 10 0 CEAEHO CC[C@@H](C)N1CCN(CC(CC)(CC)C[NH3+])CC1 ZINC000055072006 522117051 /nfs/dbraw/zinc/11/70/51/522117051.db2.gz XTDTZXMDIUOVQC-CQSZACIVSA-N 1 3 255.450 2.168 10 0 CEAEHO CC(C)C1CCC(C[NH3+])(N2CCCN(C)CC2)CC1 ZINC000054556974 519561529 /nfs/dbraw/zinc/56/15/29/519561529.db2.gz SUBQWXSPLNSCBT-UHFFFAOYSA-N 1 3 267.461 2.168 10 0 CEAEHO CC(C)C1CCC(CN)([N@@H+]2CCCN(C)CC2)CC1 ZINC000054556974 519561533 /nfs/dbraw/zinc/56/15/33/519561533.db2.gz SUBQWXSPLNSCBT-UHFFFAOYSA-N 1 3 267.461 2.168 10 0 CEAEHO CC(C)C1CCC(CN)([N@H+]2CCCN(C)CC2)CC1 ZINC000054556974 519561534 /nfs/dbraw/zinc/56/15/34/519561534.db2.gz SUBQWXSPLNSCBT-UHFFFAOYSA-N 1 3 267.461 2.168 10 0 CEAEHO CC(C)CN(CCN(C)C)C(=O)[C@@H]1CCC[C@H](CC[NH3+])C1 ZINC000055161482 519715624 /nfs/dbraw/zinc/71/56/24/519715624.db2.gz MHGNNVKGJPQCQP-HZPDHXFCSA-N 1 3 297.487 2.188 10 0 CEAEHO CC(C)[NH2+]CC1(CN2CCC[C@@H]2C)CCOCC1 ZINC000052180444 519719665 /nfs/dbraw/zinc/71/96/65/519719665.db2.gz XZVMMEILCPNUQM-AWEZNQCLSA-N 1 3 254.418 2.266 10 0 CEAEHO CC(C)CN1CCN(CCCCC[NH2+]C(C)C)CC1 ZINC000055082956 519725316 /nfs/dbraw/zinc/72/53/16/519725316.db2.gz YCWBRTJISKRSFV-UHFFFAOYSA-N 1 3 269.477 2.428 10 0 CEAEHO CC(C)[NH2+]Cc1cccc(COCCN(C)C)c1 ZINC000052669515 519727167 /nfs/dbraw/zinc/72/71/67/519727167.db2.gz GBEPXYDFNSGWHJ-UHFFFAOYSA-N 1 3 250.386 2.263 10 0 CEAEHO CC(C)CN1CCN([C@H](C[NH3+])c2ccc(F)cc2F)CC1 ZINC000055078211 519727988 /nfs/dbraw/zinc/72/79/88/519727988.db2.gz ODWRDYKPPNXTIQ-MRXNPFEDSA-N 1 3 297.393 2.238 10 0 CEAEHO CC(C)CN1CCN(c2nc3c(s2)[C@H]([NH3+])CCC3)CC1 ZINC000055076385 519729241 /nfs/dbraw/zinc/72/92/41/519729241.db2.gz VVCQFAFCLZXXEO-GFCCVEGCSA-N 1 3 294.468 2.257 10 0 CEAEHO CC(C)C[NH2+]Cc1cccc(OCCOCCN(C)C)c1 ZINC000052669678 519747695 /nfs/dbraw/zinc/74/76/95/519747695.db2.gz FETDUOFHRZFGKC-UHFFFAOYSA-N 1 3 294.439 2.389 10 0 CEAEHO CC(C)[C@@H](C[NH3+])O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000061702298 519794248 /nfs/dbraw/zinc/79/42/48/519794248.db2.gz FLLBEYRJSHPHCG-HZPDHXFCSA-N 1 3 262.397 2.261 10 0 CEAEHO CC(C)[C@@H](C[NH2+]C1CC1)N1CCN(C(C)(C)C)CC1 ZINC000052571557 519794794 /nfs/dbraw/zinc/79/47/94/519794794.db2.gz JFWYKTSGIFSPJC-OAHLLOKOSA-N 1 3 267.461 2.179 10 0 CEAEHO CCCN1CCN(C[C@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000052421809 519858482 /nfs/dbraw/zinc/85/84/82/519858482.db2.gz QLFFFUKWMBWZEW-CQSZACIVSA-N 1 3 255.450 2.038 10 0 CEAEHO CCCN1CCN([C@@H]2C[C@@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054554495 519859492 /nfs/dbraw/zinc/85/94/92/519859492.db2.gz HQELBNPWCPPEEM-HRCADAONSA-N 1 3 267.461 2.166 10 0 CEAEHO CC[NH2+]C[C@H](C)C(=O)Nc1ccccc1CN1CCCC1 ZINC000061233914 519968502 /nfs/dbraw/zinc/96/85/02/519968502.db2.gz REUVZTPYYCVFLD-AWEZNQCLSA-N 1 3 289.423 2.467 10 0 CEAEHO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CCN(CC(C)C)CC1 ZINC000055079309 520219891 /nfs/dbraw/zinc/21/98/91/520219891.db2.gz RJGARSXDVFQNEP-ULQDDVLXSA-N 1 3 281.488 2.427 10 0 CEAEHO CCN[C@H]1COc2cc(OCC[NH+](CC)CC)ccc21 ZINC000062804938 520222204 /nfs/dbraw/zinc/22/22/04/520222204.db2.gz PVHITPUQCFVQJE-HNNXBMFYSA-N 1 3 278.396 2.450 10 0 CEAEHO CCCCC[C@@H](C[NH3+])N1CCN(CC(C)C)CC1 ZINC000055078537 520292377 /nfs/dbraw/zinc/29/23/77/520292377.db2.gz BBTZWHTVNOFLHV-HNNXBMFYSA-N 1 3 255.450 2.168 10 0 CEAEHO CC[NH+](CC)CCOCCOc1ccccc1CNC ZINC000052671843 520694015 /nfs/dbraw/zinc/69/40/15/520694015.db2.gz YAXYCQBJAQSFQX-UHFFFAOYSA-N 1 3 280.412 2.143 10 0 CEAEHO CCC[C@H]([NH3+])[C@@H](CC)N1CCN(CC(C)C)CC1 ZINC000055078924 521121360 /nfs/dbraw/zinc/12/13/60/521121360.db2.gz OVQQOYJURGUSDO-LSDHHAIUSA-N 1 3 255.450 2.166 10 0 CEAEHO CCCC[C@@](CC)(CN)[N@H+](C)[C@@H]1CCCN(C)C1 ZINC000069380853 521121359 /nfs/dbraw/zinc/12/13/59/521121359.db2.gz RLADSAXDBBFTQW-CABCVRRESA-N 1 3 255.450 2.310 10 0 CEAEHO CCCC[C@@](CC)(CN)[N@@H+](C)[C@@H]1CCCN(C)C1 ZINC000069380853 521121368 /nfs/dbraw/zinc/12/13/68/521121368.db2.gz RLADSAXDBBFTQW-CABCVRRESA-N 1 3 255.450 2.310 10 0 CEAEHO CC[C@@H](C)N1CCN(Cc2cccc(C[NH3+])c2)CC1 ZINC000055064264 522126067 /nfs/dbraw/zinc/12/60/67/522126067.db2.gz UWTIUXQPBDFXBA-CQSZACIVSA-N 1 3 261.413 2.061 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](C[NH3+])c2ccc(C)cc2)CC1 ZINC000055063759 522128561 /nfs/dbraw/zinc/12/85/61/522128561.db2.gz XYWINYJDFLLRBJ-WBVHZDCISA-N 1 3 275.440 2.411 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C)C[NH2+]CCC(C)C)CC1 ZINC000055075303 522131353 /nfs/dbraw/zinc/13/13/53/522131353.db2.gz WPSJMOMMQRZBHS-HZPDHXFCSA-N 1 3 269.477 2.427 10 0 CEAEHO C[NH2+]Cc1ccccc1CN1CCN(CC(C)C)CC1 ZINC000055082843 522136686 /nfs/dbraw/zinc/13/66/86/522136686.db2.gz PDHMZBHSUHRPHN-UHFFFAOYSA-N 1 3 275.440 2.180 10 0 CEAEHO C[NH2+]Cc1sc(N(CCN(C)C)CC(C)C)nc1C ZINC000054998599 522166915 /nfs/dbraw/zinc/16/69/15/522166915.db2.gz YQAHBVOYKRXJKO-UHFFFAOYSA-N 1 3 284.473 2.195 10 0 CEAEHO C[NH2+][C@@H](C)c1sc(N(C)C2CCN(C)CC2)nc1C ZINC000054899463 522340018 /nfs/dbraw/zinc/34/00/18/522340018.db2.gz YVZJJNODHIQMFR-JTQLQIEISA-N 1 3 282.457 2.262 10 0 CEAEHO C[N@H+](CC1(CNC2CC2)CCOCC1)C1CCCC1 ZINC000052181350 522591331 /nfs/dbraw/zinc/59/13/31/522591331.db2.gz CASVIPXLIOFQSV-UHFFFAOYSA-N 1 3 266.429 2.410 10 0 CEAEHO C[N@@H+](CC1(CNC2CC2)CCOCC1)C1CCCC1 ZINC000052181350 522591342 /nfs/dbraw/zinc/59/13/42/522591342.db2.gz CASVIPXLIOFQSV-UHFFFAOYSA-N 1 3 266.429 2.410 10 0 CEAEHO CC[C@@H]([NH3+])[C@@H](c1ccccn1)N1CCN(CC(C)C)CC1 ZINC000055077433 522648720 /nfs/dbraw/zinc/64/87/20/522648720.db2.gz QHXKQKQJYJWYOD-WBVHZDCISA-N 1 3 290.455 2.134 10 0 CEAEHO COCCN(C[C@@H]1C[C@@H](C(C)C)CC[C@@H]1[NH3+])C1CC1 ZINC000054560267 523732153 /nfs/dbraw/zinc/73/21/53/523732153.db2.gz HZTCORGSGQNYER-DZKIICNBSA-N 1 3 268.445 2.497 10 0 CEAEHO CN1CCCN(C2(C[NH3+])CCC(C(F)(F)F)CC2)CC1 ZINC000069374305 523808607 /nfs/dbraw/zinc/80/86/07/523808607.db2.gz FQDPMXOHSVBDOX-UHFFFAOYSA-N 1 3 293.377 2.074 10 0 CEAEHO CN1CCCN(Cc2cc(C[NH2+]C(C)(C)C)co2)CC1 ZINC000052424290 523808959 /nfs/dbraw/zinc/80/89/59/523808959.db2.gz ZDRAOMZMUBRSJW-UHFFFAOYSA-N 1 3 279.428 2.305 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000055083473 523955358 /nfs/dbraw/zinc/95/53/58/523955358.db2.gz TXOHDUHOHARMAB-NXOAAHMSSA-N 1 3 279.472 2.323 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC000055065448 523957685 /nfs/dbraw/zinc/95/76/85/523957685.db2.gz BOWQDNGYTCZGFW-XKQJLSEDSA-N 1 3 273.424 2.027 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C[NH3+])c2ccc(C)o2)CC1 ZINC000055064068 523958045 /nfs/dbraw/zinc/95/80/45/523958045.db2.gz PQQYXDSCBQZTQE-JSGCOSHPSA-N 1 3 265.401 2.004 10 0 CEAEHO CC[C@H](C)N1CCN([C@@]2(C[NH3+])CCCC[C@@H]2C)CC1 ZINC000055064720 523958559 /nfs/dbraw/zinc/95/85/59/523958559.db2.gz ICIDFFMUSHGZDW-HRCADAONSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@H](C)N1CCN([C@H]2CCCCC[C@@H]2[NH2+]C)CC1 ZINC000055065229 523958895 /nfs/dbraw/zinc/95/88/95/523958895.db2.gz FJXZYARLLQWEOD-JYJNAYRXSA-N 1 3 267.461 2.323 10 0 CEAEHO C[NH+](C)C1CCN(Cc2oc3ccccc3c2CN)CC1 ZINC000052477706 524040263 /nfs/dbraw/zinc/04/02/63/524040263.db2.gz GTUDMONVJWMGQF-UHFFFAOYSA-N 1 3 287.407 2.418 10 0 CEAEHO C[NH+](C)CC1CCN(c2ccc(CNC3CC3)cn2)CC1 ZINC000051484391 524050500 /nfs/dbraw/zinc/05/05/00/524050500.db2.gz KGJIAYZRRQKXPC-UHFFFAOYSA-N 1 3 288.439 2.112 10 0 CEAEHO C[C@@](CCCC[N@@H+]1CCCC(C)(C)C1)(NC1CC1)C(N)=O ZINC000069516645 525739930 /nfs/dbraw/zinc/73/99/30/525739930.db2.gz CYNWIVSPTMSWBE-KRWDZBQOSA-N 1 3 295.471 2.275 10 0 CEAEHO C[C@@](CCCC[N@H+]1CCCC(C)(C)C1)(NC1CC1)C(N)=O ZINC000069516645 525739939 /nfs/dbraw/zinc/73/99/39/525739939.db2.gz CYNWIVSPTMSWBE-KRWDZBQOSA-N 1 3 295.471 2.275 10 0 CEAEHO C[C@H](c1cccs1)N(C)CC1(C[NH3+])CCOCC1 ZINC000052182439 526154222 /nfs/dbraw/zinc/15/42/22/526154222.db2.gz QAYAEYDULQHLQH-GFCCVEGCSA-N 1 3 268.426 2.496 10 0 CEAEHO C[C@H](c1cccs1)[N@H+](C)CC1(CN)CCOCC1 ZINC000052182439 526154230 /nfs/dbraw/zinc/15/42/30/526154230.db2.gz QAYAEYDULQHLQH-GFCCVEGCSA-N 1 3 268.426 2.496 10 0 CEAEHO C[C@H](c1cccs1)[N@@H+](C)CC1(CN)CCOCC1 ZINC000052182439 526154235 /nfs/dbraw/zinc/15/42/35/526154235.db2.gz QAYAEYDULQHLQH-GFCCVEGCSA-N 1 3 268.426 2.496 10 0 CEAEHO NC(=[NH2+])C[C@H](c1ccccc1)N1CCCSCC1 ZINC000055023203 526817524 /nfs/dbraw/zinc/81/75/24/526817524.db2.gz GABDYJDQRJAFFD-CYBMUJFWSA-N 1 3 263.410 2.493 10 0 CEAEHO Cc1nc(N(C)[C@@H]2CCCN(C)C2)sc1[C@@H](C)[NH3+] ZINC000054896315 526952234 /nfs/dbraw/zinc/95/22/34/526952234.db2.gz JVLBYUQEYFTRMV-MWLCHTKSSA-N 1 3 268.430 2.002 10 0 CEAEHO NN=c1[nH]cccc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000052718688 527288414 /nfs/dbraw/zinc/28/84/14/527288414.db2.gz LSBKQLNSWSWEIX-AWEZNQCLSA-N 1 3 268.364 2.357 10 0 CEAEHO NN=c1[nH]cccc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000052718688 527288417 /nfs/dbraw/zinc/28/84/17/527288417.db2.gz LSBKQLNSWSWEIX-AWEZNQCLSA-N 1 3 268.364 2.357 10 0 CEAEHO CC[C@@H](O)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000309930646 628165033 /nfs/dbraw/zinc/16/50/33/628165033.db2.gz VVVAGVNQLOJLNC-ZJPYXAASSA-N 1 3 288.435 2.258 10 0 CEAEHO C[C@@H](CSC(C)(C)C)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000151292849 639256475 /nfs/dbraw/zinc/25/64/75/639256475.db2.gz HMRABIBORWYMTE-UONOGXRCSA-N 1 3 288.501 2.343 10 0 CEAEHO [NH3+]CCCN1CCN([C@H]2CCCCc3ccccc32)CC1 ZINC000140954388 344399913 /nfs/dbraw/zinc/39/99/13/344399913.db2.gz FKSKQIYSXWUWRD-SFHVURJKSA-N 1 3 287.451 2.421 10 0 CEAEHO [NH3+][C@H]1CC[C@H](NCc2cnc(Cl)nc2Cl)CC1 ZINC000257352908 344647562 /nfs/dbraw/zinc/64/75/62/344647562.db2.gz OCQGLCWRLONXOQ-KYZUINATSA-N 1 3 275.183 2.143 10 0 CEAEHO C[C@@H]1C[C@@H](N2C[C@@H](C)[NH2+][C@@H](C)C2)CN1Cc1ccccc1 ZINC000306571322 344714412 /nfs/dbraw/zinc/71/44/12/344714412.db2.gz FXJGVDUICZTVFH-KYHPRHEASA-N 1 3 287.451 2.332 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccnc4ccccc34)C[C@@H]12 ZINC000381839656 344825200 /nfs/dbraw/zinc/82/52/00/344825200.db2.gz JSQVPIKDTDGGRV-DAXOMENPSA-N 1 3 267.376 2.404 10 0 CEAEHO CN(C)Cc1cccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085361425 179032963 /nfs/dbraw/zinc/03/29/63/179032963.db2.gz MQTWVHZJTAFXJU-GJZGRUSLSA-N 1 3 275.396 2.204 10 0 CEAEHO CC(C)[C@H]1C[N@H+](C[C@@H]2CCCCO2)[C@@H](C)CCN1 ZINC000085618239 179103902 /nfs/dbraw/zinc/10/39/02/179103902.db2.gz PWPQWOCMGKYIGU-SOUVJXGZSA-N 1 3 254.418 2.264 10 0 CEAEHO CC(C)[C@H]1C[N@@H+](C[C@@H]2CCCCO2)[C@@H](C)CCN1 ZINC000085618239 179103903 /nfs/dbraw/zinc/10/39/03/179103903.db2.gz PWPQWOCMGKYIGU-SOUVJXGZSA-N 1 3 254.418 2.264 10 0 CEAEHO CC(C)N1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000085636420 179109066 /nfs/dbraw/zinc/10/90/66/179109066.db2.gz RQVHFSGPDBXBLP-BARDWOONSA-N 1 3 266.429 2.120 10 0 CEAEHO CC[C@@H]([NH3+])Cc1ccccc1N1CCN(CC)CC1 ZINC000111489759 136562198 /nfs/dbraw/zinc/56/21/98/136562198.db2.gz YQPVSSBAUIHYDD-OAHLLOKOSA-N 1 3 261.413 2.108 10 0 CEAEHO CC[C@](CN)(C1CC1)[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC000086120760 179234529 /nfs/dbraw/zinc/23/45/29/179234529.db2.gz OABNIRHVGPHSBU-HOTGVXAUSA-N 1 3 265.445 2.064 10 0 CEAEHO CC[C@](CN)(C1CC1)[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000086120760 179234531 /nfs/dbraw/zinc/23/45/31/179234531.db2.gz OABNIRHVGPHSBU-HOTGVXAUSA-N 1 3 265.445 2.064 10 0 CEAEHO CC(C)[C@@H]1C[N@@H+]([C@@H]2CN3CCC2CC3)[C@@H](C(C)C)CN1 ZINC000086152543 179240570 /nfs/dbraw/zinc/24/05/70/179240570.db2.gz AJKJHOUKSZEKIO-GVDBMIGSSA-N 1 3 279.472 2.035 10 0 CEAEHO CC(C)[C@@H]1C[N@H+]([C@@H]2CN3CCC2CC3)[C@@H](C(C)C)CN1 ZINC000086152543 179240571 /nfs/dbraw/zinc/24/05/71/179240571.db2.gz AJKJHOUKSZEKIO-GVDBMIGSSA-N 1 3 279.472 2.035 10 0 CEAEHO C[N@@H+]1CCCC[C@@H]1CN1CCN[C@H](c2ccccc2)C1 ZINC000086145843 179239231 /nfs/dbraw/zinc/23/92/31/179239231.db2.gz ASCQKZYBJUHQSK-SJORKVTESA-N 1 3 273.424 2.117 10 0 CEAEHO C[N@H+]1CCCC[C@@H]1CN1CCN[C@H](c2ccccc2)C1 ZINC000086145843 179239232 /nfs/dbraw/zinc/23/92/32/179239232.db2.gz ASCQKZYBJUHQSK-SJORKVTESA-N 1 3 273.424 2.117 10 0 CEAEHO CC[C@@H]1CNC2(CCCC2)C[N@@H+]1C1CCN(C)CC1 ZINC000086217847 179249770 /nfs/dbraw/zinc/24/97/70/179249770.db2.gz IAILPRMEEUTWHK-CQSZACIVSA-N 1 3 265.445 2.077 10 0 CEAEHO CC[C@@H]1CNC2(CCCC2)C[N@H+]1C1CCN(C)CC1 ZINC000086217847 179249771 /nfs/dbraw/zinc/24/97/71/179249771.db2.gz IAILPRMEEUTWHK-CQSZACIVSA-N 1 3 265.445 2.077 10 0 CEAEHO CC[C@@H]1CNC(CC)(CC)C[N@@H+]1C1CCN(C)CC1 ZINC000086217801 179250097 /nfs/dbraw/zinc/25/00/97/179250097.db2.gz JHNGHMCSJDVUGL-CQSZACIVSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@@H]1CNC(CC)(CC)C[N@H+]1C1CCN(C)CC1 ZINC000086217801 179250099 /nfs/dbraw/zinc/25/00/99/179250099.db2.gz JHNGHMCSJDVUGL-CQSZACIVSA-N 1 3 267.461 2.323 10 0 CEAEHO CCC1(CC)C[N@H+](CCCN(C)C)[C@@H](C(C)C)CN1 ZINC000086217764 179250129 /nfs/dbraw/zinc/25/01/29/179250129.db2.gz WJPQPOXWNFBLJU-OAHLLOKOSA-N 1 3 269.477 2.427 10 0 CEAEHO CCC1(CC)C[N@@H+](CCCN(C)C)[C@@H](C(C)C)CN1 ZINC000086217764 179250130 /nfs/dbraw/zinc/25/01/30/179250130.db2.gz WJPQPOXWNFBLJU-OAHLLOKOSA-N 1 3 269.477 2.427 10 0 CEAEHO CC(C)C[C@@H]1C[N@H+](C[C@@H]2CCN(C)C2)[C@H](C(C)C)CN1 ZINC000086223170 179251416 /nfs/dbraw/zinc/25/14/16/179251416.db2.gz HZQHXSJMIQOMLJ-ZACQAIPSSA-N 1 3 281.488 2.283 10 0 CEAEHO CC(C)C[C@@H]1C[N@@H+](C[C@@H]2CCN(C)C2)[C@H](C(C)C)CN1 ZINC000086223170 179251419 /nfs/dbraw/zinc/25/14/19/179251419.db2.gz HZQHXSJMIQOMLJ-ZACQAIPSSA-N 1 3 281.488 2.283 10 0 CEAEHO CC[C@@H]1CN[C@H](CC(C)C)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223172 179252430 /nfs/dbraw/zinc/25/24/30/179252430.db2.gz JLGOWXVRPQLKJI-BZUAXINKSA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@@H]1CN[C@H](CC(C)C)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223172 179252431 /nfs/dbraw/zinc/25/24/31/179252431.db2.gz JLGOWXVRPQLKJI-BZUAXINKSA-N 1 3 267.461 2.037 10 0 CEAEHO CC(C)C[C@H]1C[N@@H+](CC[C@@H]2CCCO2)CCCN1 ZINC000086291379 179265369 /nfs/dbraw/zinc/26/53/69/179265369.db2.gz GPZOAFLJEJZJTM-GJZGRUSLSA-N 1 3 254.418 2.266 10 0 CEAEHO CC(C)C[C@H]1CN(CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291379 179265371 /nfs/dbraw/zinc/26/53/71/179265371.db2.gz GPZOAFLJEJZJTM-GJZGRUSLSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[C@@H]1C[NH2+][C@](C)(CC)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259629 179259136 /nfs/dbraw/zinc/25/91/36/179259136.db2.gz GMIXWBXCYXNFQK-FVQBIDKESA-N 1 3 265.445 2.076 10 0 CEAEHO CC[C@@H]1CN[C@](C)(CC)C[N@@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259629 179259137 /nfs/dbraw/zinc/25/91/37/179259137.db2.gz GMIXWBXCYXNFQK-FVQBIDKESA-N 1 3 265.445 2.076 10 0 CEAEHO CC[C@@H]1CN[C@](C)(CC)C[N@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259629 179259139 /nfs/dbraw/zinc/25/91/39/179259139.db2.gz GMIXWBXCYXNFQK-FVQBIDKESA-N 1 3 265.445 2.076 10 0 CEAEHO CN1CCC[C@H]([N@@H+]2CCCN[C@H](c3ccccc3)C2)C1 ZINC000086288942 179264137 /nfs/dbraw/zinc/26/41/37/179264137.db2.gz XJXCSLWXIISUNK-IRXDYDNUSA-N 1 3 273.424 2.117 10 0 CEAEHO CN1CCC[C@H]([N@H+]2CCCN[C@H](c3ccccc3)C2)C1 ZINC000086288942 179264138 /nfs/dbraw/zinc/26/41/38/179264138.db2.gz XJXCSLWXIISUNK-IRXDYDNUSA-N 1 3 273.424 2.117 10 0 CEAEHO CC[C@H](C)[C@@H]1CN([C@@H]2CCCN(CC)C2)CCC[NH2+]1 ZINC000086289412 179264160 /nfs/dbraw/zinc/26/41/60/179264160.db2.gz JZKGDSOYSJTQFV-XHSDSOJGSA-N 1 3 267.461 2.181 10 0 CEAEHO CC(C)C[C@H]1C[N@H+](CC[C@@H]2CCCO2)CCCN1 ZINC000086291379 179265366 /nfs/dbraw/zinc/26/53/66/179265366.db2.gz GPZOAFLJEJZJTM-GJZGRUSLSA-N 1 3 254.418 2.266 10 0 CEAEHO CN1CCC[C@H](C[N@@H+]2CCCNC3(CCCCC3)C2)C1 ZINC000086291553 179266027 /nfs/dbraw/zinc/26/60/27/179266027.db2.gz BJUQTRHGIHPMHH-INIZCTEOSA-N 1 3 279.472 2.326 10 0 CEAEHO CN1CCC[C@H](C[N@H+]2CCCNC3(CCCCC3)C2)C1 ZINC000086291553 179266028 /nfs/dbraw/zinc/26/60/28/179266028.db2.gz BJUQTRHGIHPMHH-INIZCTEOSA-N 1 3 279.472 2.326 10 0 CEAEHO CCC1(CC)CN(C[C@@H]2CCCCN2C)CCC[NH2+]1 ZINC000086291731 179266430 /nfs/dbraw/zinc/26/64/30/179266430.db2.gz SCLJCMJCELPXNU-HNNXBMFYSA-N 1 3 267.461 2.325 10 0 CEAEHO CCC1(CC)C[N@H+](C[C@@H]2CCCCN2C)CCCN1 ZINC000086291731 179266431 /nfs/dbraw/zinc/26/64/31/179266431.db2.gz SCLJCMJCELPXNU-HNNXBMFYSA-N 1 3 267.461 2.325 10 0 CEAEHO CCC1(CC)C[N@@H+](C[C@@H]2CCCCN2C)CCCN1 ZINC000086291731 179266433 /nfs/dbraw/zinc/26/64/33/179266433.db2.gz SCLJCMJCELPXNU-HNNXBMFYSA-N 1 3 267.461 2.325 10 0 CEAEHO COC[C@@H](C(C)C)N1CC[C@@H](C[NH2+]CC(C)C)C1 ZINC000086701772 179321687 /nfs/dbraw/zinc/32/16/87/179321687.db2.gz RHRHDZJINWUPLW-GJZGRUSLSA-N 1 3 256.434 2.225 10 0 CEAEHO CCC(CC)[C@@H](C[NH2+][C@H]1CCCN(C)CC1)N(C)C ZINC000086817435 179345210 /nfs/dbraw/zinc/34/52/10/179345210.db2.gz AAABTIGNWLUIFL-JKSUJKDBSA-N 1 3 269.477 2.427 10 0 CEAEHO CCCN1CCC[C@@](CN)([N@@H+]2CCC[C@@H]2CC)CC1 ZINC000086847389 179356731 /nfs/dbraw/zinc/35/67/31/179356731.db2.gz XIYTYSRJMWVSSR-JKSUJKDBSA-N 1 3 267.461 2.454 10 0 CEAEHO CCCN1CCC[C@@](CN)([N@H+]2CCC[C@@H]2CC)CC1 ZINC000086847389 179356732 /nfs/dbraw/zinc/35/67/32/179356732.db2.gz XIYTYSRJMWVSSR-JKSUJKDBSA-N 1 3 267.461 2.454 10 0 CEAEHO CCN1CCC[C@@H]([NH2+][C@@H](CN(C)C)C(C)C)CC1 ZINC000086842890 179353565 /nfs/dbraw/zinc/35/35/65/179353565.db2.gz RSXBFVPUYUKWRK-CABCVRRESA-N 1 3 255.450 2.037 10 0 CEAEHO CCCN1CCC[C@](CN)([N@H+](C)[C@@H](C)CC)CC1 ZINC000086846847 179355021 /nfs/dbraw/zinc/35/50/21/179355021.db2.gz WHZJNOQTNCCNHA-GJZGRUSLSA-N 1 3 255.450 2.310 10 0 CEAEHO CCCN1CCC[C@](CN)([N@@H+](C)[C@@H](C)CC)CC1 ZINC000086846847 179355023 /nfs/dbraw/zinc/35/50/23/179355023.db2.gz WHZJNOQTNCCNHA-GJZGRUSLSA-N 1 3 255.450 2.310 10 0 CEAEHO CCN1CCC[C@@](CN)([N@H+](C)C2CCCC2)CC1 ZINC000086846738 179355535 /nfs/dbraw/zinc/35/55/35/179355535.db2.gz VPDLNVCQAIBOER-OAHLLOKOSA-N 1 3 253.434 2.064 10 0 CEAEHO CCN1CCC[C@@](CN)([N@@H+](C)C2CCCC2)CC1 ZINC000086846738 179355536 /nfs/dbraw/zinc/35/55/36/179355536.db2.gz VPDLNVCQAIBOER-OAHLLOKOSA-N 1 3 253.434 2.064 10 0 CEAEHO CCN1CCC[C@](CN)([N@@H+]2CCCC[C@@H]2C)CC1 ZINC000086846187 179355678 /nfs/dbraw/zinc/35/56/78/179355678.db2.gz OPJDMAAKSSQRCG-GJZGRUSLSA-N 1 3 253.434 2.064 10 0 CEAEHO CCN1CCC[C@](CN)([N@H+]2CCCC[C@@H]2C)CC1 ZINC000086846187 179355679 /nfs/dbraw/zinc/35/56/79/179355679.db2.gz OPJDMAAKSSQRCG-GJZGRUSLSA-N 1 3 253.434 2.064 10 0 CEAEHO CCN1CCC[C@@](CN)([N@H+](C)C(C)(C)CC)CC1 ZINC000086848846 179358613 /nfs/dbraw/zinc/35/86/13/179358613.db2.gz BEISKMFVXYFZEG-OAHLLOKOSA-N 1 3 255.450 2.310 10 0 CEAEHO CCN1CCC[C@@](CN)([N@@H+](C)C(C)(C)CC)CC1 ZINC000086848846 179358615 /nfs/dbraw/zinc/35/86/15/179358615.db2.gz BEISKMFVXYFZEG-OAHLLOKOSA-N 1 3 255.450 2.310 10 0 CEAEHO CCN1CCC[C@@H]([N@@H+]2CCCC[C@@H]2CCN)CC1 ZINC000086851145 179359099 /nfs/dbraw/zinc/35/90/99/179359099.db2.gz LVMUWMFQSWDIBL-HUUCEWRRSA-N 1 3 253.434 2.064 10 0 CEAEHO CCN1CCC[C@@H]([N@H+]2CCCC[C@@H]2CCN)CC1 ZINC000086851145 179359101 /nfs/dbraw/zinc/35/91/01/179359101.db2.gz LVMUWMFQSWDIBL-HUUCEWRRSA-N 1 3 253.434 2.064 10 0 CEAEHO C[C@@H]1CCC[C@@](CN)([N@H+](C)CCCN(C)C)CC1 ZINC000086891451 179366219 /nfs/dbraw/zinc/36/62/19/179366219.db2.gz WKLFHSKKJRSIFZ-HUUCEWRRSA-N 1 3 255.450 2.168 10 0 CEAEHO C[C@@H]1CCC[C@@](CN)([N@@H+](C)CCCN(C)C)CC1 ZINC000086891451 179366220 /nfs/dbraw/zinc/36/62/20/179366220.db2.gz WKLFHSKKJRSIFZ-HUUCEWRRSA-N 1 3 255.450 2.168 10 0 CEAEHO C[C@H](N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400355391 233176289 /nfs/dbraw/zinc/17/62/89/233176289.db2.gz OGJSLGPHCNVXEP-BURFUSLBSA-N 1 3 287.451 2.237 10 0 CEAEHO C[C@@H](CC[NH+](C)C)NC[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892501 180053983 /nfs/dbraw/zinc/05/39/83/180053983.db2.gz FMXZVSIQAVNOIJ-FZMZJTMJSA-N 1 3 266.360 2.059 10 0 CEAEHO CCCC[N@H+](CCN)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898941 180057790 /nfs/dbraw/zinc/05/77/90/180057790.db2.gz MMQWWVFUZWHMFQ-HNNXBMFYSA-N 1 3 262.397 2.359 10 0 CEAEHO CCCC[N@@H+](CCN)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898941 180057791 /nfs/dbraw/zinc/05/77/91/180057791.db2.gz MMQWWVFUZWHMFQ-HNNXBMFYSA-N 1 3 262.397 2.359 10 0 CEAEHO CCC[C@@H]1CC[C@H](CN)[C@H]([N@H+](C)CC2CC(O)C2)C1 ZINC000091459762 180160638 /nfs/dbraw/zinc/16/06/38/180160638.db2.gz JFESIEKAFORONL-WEIUDFCLSA-N 1 3 268.445 2.233 10 0 CEAEHO CCC[C@@H]1CC[C@H](CN)[C@H]([N@@H+](C)CC2CC(O)C2)C1 ZINC000091459762 180160639 /nfs/dbraw/zinc/16/06/39/180160639.db2.gz JFESIEKAFORONL-WEIUDFCLSA-N 1 3 268.445 2.233 10 0 CEAEHO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CN(C)CC1CC(O)C1 ZINC000091489422 180169284 /nfs/dbraw/zinc/16/92/84/180169284.db2.gz ANYGYRIZINNXOM-WEIUDFCLSA-N 1 3 268.445 2.103 10 0 CEAEHO CCC[NH2+]C[C@@](C)(CC)CN(C)CC1CC(O)C1 ZINC000091490738 180169852 /nfs/dbraw/zinc/16/98/52/180169852.db2.gz ZFFOQCHWUBQDJM-YMAMQOFZSA-N 1 3 256.434 2.105 10 0 CEAEHO CC[NH2+][C@@H](C)C(C)(C)CN(CCO)C(CC)CC ZINC000091404079 180147606 /nfs/dbraw/zinc/14/76/06/180147606.db2.gz QIVYTNDVRDZHQX-ZDUSSCGKSA-N 1 3 258.450 2.494 10 0 CEAEHO CCN[C@@H](C)C(C)(C)C[N@H+](CCO)C(CC)CC ZINC000091404079 180147607 /nfs/dbraw/zinc/14/76/07/180147607.db2.gz QIVYTNDVRDZHQX-ZDUSSCGKSA-N 1 3 258.450 2.494 10 0 CEAEHO CCN[C@@H](C)C(C)(C)C[N@@H+](CCO)C(CC)CC ZINC000091404079 180147609 /nfs/dbraw/zinc/14/76/09/180147609.db2.gz QIVYTNDVRDZHQX-ZDUSSCGKSA-N 1 3 258.450 2.494 10 0 CEAEHO CC[NH+](CC)[C@@](C)(CC)[C@H](Cc1ccnc(N)c1)NC ZINC000091599128 180202736 /nfs/dbraw/zinc/20/27/36/180202736.db2.gz ATAHKMMZECLDBV-HOCLYGCPSA-N 1 3 278.444 2.305 10 0 CEAEHO CC[C@](C)([C@H](Cc1cnccc1N)[NH2+]C)N1CCCC1 ZINC000091606170 180204689 /nfs/dbraw/zinc/20/46/89/180204689.db2.gz QTJUORBCXIPAEL-JKSUJKDBSA-N 1 3 276.428 2.059 10 0 CEAEHO CC(C)C[NH2+]CC[C@@](C)(O)[C@H]1NCc2ccccc21 ZINC000091521035 180178084 /nfs/dbraw/zinc/17/80/84/180178084.db2.gz GHIQCMGRJCZTQF-JKSUJKDBSA-N 1 3 262.397 2.218 10 0 CEAEHO CCN[C@@H](CC[NH+](CC)CC)Cc1ncnn1C(C)C ZINC000091716700 180232076 /nfs/dbraw/zinc/23/20/76/180232076.db2.gz VYBSFMHUTRBRLX-AWEZNQCLSA-N 1 3 281.448 2.112 10 0 CEAEHO CC[NH2+][C@@H](CCN(CC)CC)Cc1ncnn1C(C)C ZINC000091716700 180232079 /nfs/dbraw/zinc/23/20/79/180232079.db2.gz VYBSFMHUTRBRLX-AWEZNQCLSA-N 1 3 281.448 2.112 10 0 CEAEHO CC[NH+](CC)CC[C@@H](Cc1c(Cl)c(C)nn1C)NC ZINC000091716050 180232627 /nfs/dbraw/zinc/23/26/27/180232627.db2.gz SJIZRNGZGUBAMX-LBPRGKRZSA-N 1 3 286.851 2.244 10 0 CEAEHO CCN(CC)CC[C@@H](Cc1c(Cl)c(C)nn1C)[NH2+]C ZINC000091716050 180232629 /nfs/dbraw/zinc/23/26/29/180232629.db2.gz SJIZRNGZGUBAMX-LBPRGKRZSA-N 1 3 286.851 2.244 10 0 CEAEHO CCc1ccc(C[C@H](N)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000091720719 180236340 /nfs/dbraw/zinc/23/63/40/180236340.db2.gz NZWMZQIWOUTJAX-BYCMXARLSA-N 1 3 280.437 2.044 10 0 CEAEHO CCc1ccc(C[C@H](N)[C@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000091720719 180236342 /nfs/dbraw/zinc/23/63/42/180236342.db2.gz NZWMZQIWOUTJAX-BYCMXARLSA-N 1 3 280.437 2.044 10 0 CEAEHO CCCNCc1csc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000092005045 180305766 /nfs/dbraw/zinc/30/57/66/180305766.db2.gz ZDAIDTRIIZWPNL-KGLIPLIRSA-N 1 3 294.468 2.316 10 0 CEAEHO CCCNCc1csc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000092005045 180305768 /nfs/dbraw/zinc/30/57/68/180305768.db2.gz ZDAIDTRIIZWPNL-KGLIPLIRSA-N 1 3 294.468 2.316 10 0 CEAEHO CCCNCC1(C[NH+]2C[C@@H](C)[C@H](C)C2)CCOCC1 ZINC000092088579 180321645 /nfs/dbraw/zinc/32/16/45/180321645.db2.gz YWXXWXHFNRXDQL-HUUCEWRRSA-N 1 3 268.445 2.371 10 0 CEAEHO CCN(CC)Cc1ccccc1NC(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092203744 180343243 /nfs/dbraw/zinc/34/32/43/180343243.db2.gz AOTCVCJMZFVAII-HIFRSBDPSA-N 1 3 287.407 2.370 10 0 CEAEHO NC(=[NH2+])C1CCN(Cc2ccnc3ccccc23)CC1 ZINC000092348165 180367672 /nfs/dbraw/zinc/36/76/72/180367672.db2.gz XCAAYHPUNRLUMP-UHFFFAOYSA-N 1 3 268.364 2.383 10 0 CEAEHO CC[N@@H+]1CC[C@H](CNC2=N[C@@H](C(C)C)CS2)C1 ZINC000092402267 180377692 /nfs/dbraw/zinc/37/76/92/180377692.db2.gz JZJLSWNHLFXLIE-VXGBXAGGSA-N 1 3 255.431 2.045 10 0 CEAEHO CC[N@H+]1CC[C@H](CNC2=N[C@@H](C(C)C)CS2)C1 ZINC000092402267 180377695 /nfs/dbraw/zinc/37/76/95/180377695.db2.gz JZJLSWNHLFXLIE-VXGBXAGGSA-N 1 3 255.431 2.045 10 0 CEAEHO CNc1cc[nH+]c(CN2CCN(C(C)(C)C)CC2)c1 ZINC000092418814 180381519 /nfs/dbraw/zinc/38/15/19/180381519.db2.gz IPJOQMDJYHDFSM-UHFFFAOYSA-N 1 3 262.401 2.039 10 0 CEAEHO CCCNc1ccnc(CN2CCC[C@@H]2C[NH+](C)C)c1 ZINC000092419025 180382704 /nfs/dbraw/zinc/38/27/04/180382704.db2.gz HYUYQOSSUNXGBD-MRXNPFEDSA-N 1 3 276.428 2.430 10 0 CEAEHO CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCCN(CC)C1 ZINC000107347642 186171074 /nfs/dbraw/zinc/17/10/74/186171074.db2.gz HVPBJHHUCMEGDG-MRXNPFEDSA-N 1 3 297.487 2.489 10 0 CEAEHO CCOC(=O)C1CCN([C@H]2CCCCC[C@H]2C[NH3+])CC1 ZINC000109603643 186266997 /nfs/dbraw/zinc/26/69/97/186266997.db2.gz SJPGBTGEOKZXQE-GJZGRUSLSA-N 1 3 282.428 2.169 10 0 CEAEHO CCOC(=O)C1CC[NH+]([C@H]2CCCCC[C@H]2CN)CC1 ZINC000109603643 186266999 /nfs/dbraw/zinc/26/69/99/186266999.db2.gz SJPGBTGEOKZXQE-GJZGRUSLSA-N 1 3 282.428 2.169 10 0 CEAEHO Cc1cccc([C@H]([C@H](C)[NH3+])N2CCN(C)C(C)(C)C2)c1 ZINC000110704819 186313760 /nfs/dbraw/zinc/31/37/60/186313760.db2.gz YBNCGJMWYYCVIB-HOCLYGCPSA-N 1 3 275.440 2.409 10 0 CEAEHO Cc1ccccc1[C@@H]([C@@H](C)[NH3+])N1CCN(C)C(C)(C)C1 ZINC000110704907 186314944 /nfs/dbraw/zinc/31/49/44/186314944.db2.gz WPZXZWVNKPMRGH-GDBMZVCRSA-N 1 3 275.440 2.409 10 0 CEAEHO CCN1CCN(C2(C[NH3+])CCCCCC2)C[C@@H]1C ZINC000110709464 186316161 /nfs/dbraw/zinc/31/61/61/186316161.db2.gz LRVWHNYIRQJRRF-AWEZNQCLSA-N 1 3 253.434 2.064 10 0 CEAEHO CCN1CC[N@@H+](C2(CN)CCCCCC2)C[C@@H]1C ZINC000110709464 186316163 /nfs/dbraw/zinc/31/61/63/186316163.db2.gz LRVWHNYIRQJRRF-AWEZNQCLSA-N 1 3 253.434 2.064 10 0 CEAEHO CCN1CC[N@H+](C2(CN)CCCCCC2)C[C@@H]1C ZINC000110709464 186316164 /nfs/dbraw/zinc/31/61/64/186316164.db2.gz LRVWHNYIRQJRRF-AWEZNQCLSA-N 1 3 253.434 2.064 10 0 CEAEHO COc1ccc([C@@H]([NH3+])[C@H](C)N2CCN(C)C(C)(C)C2)cc1 ZINC000110716416 186316506 /nfs/dbraw/zinc/31/65/06/186316506.db2.gz PYIZHRHZGNQCAF-BBRMVZONSA-N 1 3 291.439 2.110 10 0 CEAEHO CCc1ccc([C@@H](C[NH3+])N2CCN(C)C(C)(C)C2)cc1 ZINC000110712158 186316770 /nfs/dbraw/zinc/31/67/70/186316770.db2.gz ZLSVEINZCXKXMK-MRXNPFEDSA-N 1 3 275.440 2.275 10 0 CEAEHO C[C@H]1CN(Cc2oc3ccccc3c2C[NH3+])CCN1C ZINC000110751072 186322097 /nfs/dbraw/zinc/32/20/97/186322097.db2.gz BOLPNUCQPKGUOZ-LBPRGKRZSA-N 1 3 273.380 2.027 10 0 CEAEHO CCOCC[N@H+](CC)C[C@@](C)(CN)c1ccccc1 ZINC000111123050 186355386 /nfs/dbraw/zinc/35/53/86/186355386.db2.gz AIEDKHWIKAFCMU-MRXNPFEDSA-N 1 3 264.413 2.261 10 0 CEAEHO CCOCC[N@@H+](CC)C[C@@](C)(CN)c1ccccc1 ZINC000111123050 186355388 /nfs/dbraw/zinc/35/53/88/186355388.db2.gz AIEDKHWIKAFCMU-MRXNPFEDSA-N 1 3 264.413 2.261 10 0 CEAEHO C[NH2+][C@H](c1ccccc1)[C@H](C(C)C)N(C)CCN(C)C ZINC000111134226 186355887 /nfs/dbraw/zinc/35/58/87/186355887.db2.gz MSUKMPGXKMOULC-SJORKVTESA-N 1 3 277.456 2.465 10 0 CEAEHO CN(C)CCN(C)[C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000111132463 186356175 /nfs/dbraw/zinc/35/61/75/186356175.db2.gz IGBZJYUHJYANIJ-ZDUSSCGKSA-N 1 3 289.345 2.199 10 0 CEAEHO Cc1nn(C)c(N(C)CCC[NH+](C)C)c1CNC(C)(C)C ZINC000111140756 186357733 /nfs/dbraw/zinc/35/77/33/186357733.db2.gz IDBYDMXKEKVLQD-UHFFFAOYSA-N 1 3 295.475 2.005 10 0 CEAEHO CC(C)C[NH2+]C[C@@]1(CN(C)CC2CC2)CCCOC1 ZINC000111326072 186398621 /nfs/dbraw/zinc/39/86/21/186398621.db2.gz JOJZOJUESQFREF-MRXNPFEDSA-N 1 3 268.445 2.371 10 0 CEAEHO CC[NH2+]C[C@@]1(CN(C)CC2CCC2)CCCOC1 ZINC000111328939 186399960 /nfs/dbraw/zinc/39/99/60/186399960.db2.gz JNXVOMHDJYNLSD-OAHLLOKOSA-N 1 3 254.418 2.125 10 0 CEAEHO CCNC[C@@]1(C[N@H+](C)CC2CCC2)CCCOC1 ZINC000111328939 186399962 /nfs/dbraw/zinc/39/99/62/186399962.db2.gz JNXVOMHDJYNLSD-OAHLLOKOSA-N 1 3 254.418 2.125 10 0 CEAEHO CCNC[C@@]1(C[N@@H+](C)CC2CCC2)CCCOC1 ZINC000111328939 186399963 /nfs/dbraw/zinc/39/99/63/186399963.db2.gz JNXVOMHDJYNLSD-OAHLLOKOSA-N 1 3 254.418 2.125 10 0 CEAEHO N[C@H](CCC[NH3+])c1c(F)ccc(Br)c1F ZINC000575440033 366287401 /nfs/dbraw/zinc/28/74/01/366287401.db2.gz RSOKQZJWRPRJRP-MRVPVSSYSA-N 1 3 279.128 2.466 10 0 CEAEHO CCCC[NH+]1CCC(NC(=O)[C@@H](CCC)N(C)C)CC1 ZINC000162078602 367136471 /nfs/dbraw/zinc/13/64/71/367136471.db2.gz CNHFOERNDFJWIY-OAHLLOKOSA-N 1 3 283.460 2.097 10 0 CEAEHO Cc1ccc(C)c(OCCN2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631842901 367582597 /nfs/dbraw/zinc/58/25/97/367582597.db2.gz HEUCPXNIENTIGG-GJZGRUSLSA-N 1 3 262.397 2.209 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(-n4cccn4)cc3)C[C@H]12 ZINC000261601254 371672558 /nfs/dbraw/zinc/67/25/58/371672558.db2.gz BSCSHSJNURZPPY-HYVNUMGLSA-N 1 3 282.391 2.041 10 0 CEAEHO COc1cc(C)c(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000261607352 371675020 /nfs/dbraw/zinc/67/50/20/371675020.db2.gz DCKGPSZENLFASX-AEGPPILISA-N 1 3 290.407 2.181 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccc4cccnc43)C[C@@H]12 ZINC000261721540 371710858 /nfs/dbraw/zinc/71/08/58/371710858.db2.gz KFYMQUMKPGFUSL-FVQBIDKESA-N 1 3 267.376 2.404 10 0 CEAEHO COCC[N@H+](C[C@@H]1CCCNC1)[C@H]1CC[C@H](C)C1 ZINC000261927692 371772500 /nfs/dbraw/zinc/77/25/00/371772500.db2.gz LEHHLRIKAVTNIE-ZNMIVQPWSA-N 1 3 254.418 2.123 10 0 CEAEHO COCC[N@@H+](C[C@@H]1CCCNC1)[C@H]1CC[C@H](C)C1 ZINC000261927692 371772507 /nfs/dbraw/zinc/77/25/07/371772507.db2.gz LEHHLRIKAVTNIE-ZNMIVQPWSA-N 1 3 254.418 2.123 10 0 CEAEHO C[C@@H]1CC(C[NH2+][C@@H]2CCCC[C@H]2CN)C[C@@H](C)O1 ZINC000423109814 377003340 /nfs/dbraw/zinc/00/33/40/377003340.db2.gz UZVSJXHCKAXWLT-RJZRQDKASA-N 1 3 254.418 2.297 10 0 CEAEHO C[NH2+][C@@H]1[C@@H](N2CCN(C3CCCC3)CC2)CCC1(C)C ZINC000094305576 184778179 /nfs/dbraw/zinc/77/81/79/184778179.db2.gz INQDPDMITMOVHS-JKSUJKDBSA-N 1 3 279.472 2.323 10 0 CEAEHO CC(C)C[C@H](C[NH3+])C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000094699450 184842227 /nfs/dbraw/zinc/84/22/27/184842227.db2.gz AAQYEAVJESFFMM-CVEARBPZSA-N 1 3 291.439 2.027 10 0 CEAEHO Cn1cc([C@H]2CCCN2CCCC2CC[NH2+]CC2)cn1 ZINC000383291585 395184822 /nfs/dbraw/zinc/18/48/22/395184822.db2.gz LFNZOTPBWHHOGS-MRXNPFEDSA-N 1 3 276.428 2.337 10 0 CEAEHO C[C@@H]([NH2+]CCc1cccc(F)c1)[C@H]1CCCNC1 ZINC000575372941 395661188 /nfs/dbraw/zinc/66/11/88/395661188.db2.gz JSZSJVZGSFKTNQ-OCCSQVGLSA-N 1 3 250.361 2.346 10 0 CEAEHO C[C@@H](NCCc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000575372941 395661189 /nfs/dbraw/zinc/66/11/89/395661189.db2.gz JSZSJVZGSFKTNQ-OCCSQVGLSA-N 1 3 250.361 2.346 10 0 CEAEHO CC(C)CN1CCC[C@@H]1CNC(=[NH2+])NC1CCCC1 ZINC000178897617 165262841 /nfs/dbraw/zinc/26/28/41/165262841.db2.gz SBTDVPUSJAWUSO-CQSZACIVSA-N 1 3 266.433 2.163 10 0 CEAEHO CCN1CCC([NH2+][C@H](CN(C)C)c2ccccc2)CC1 ZINC000020129267 171017293 /nfs/dbraw/zinc/01/72/93/171017293.db2.gz HZECSOKSXQCSDI-QGZVFWFLSA-N 1 3 275.440 2.363 10 0 CEAEHO CCCN1CCN([C@H](C[NH3+])c2ccccc2OCC)CC1 ZINC000020179694 171044366 /nfs/dbraw/zinc/04/43/66/171044366.db2.gz PFOOALLHUXKARY-MRXNPFEDSA-N 1 3 291.439 2.113 10 0 CEAEHO Cc1cccc([C@H](C[NH3+])N2CCN(CC(C)C)CC2)c1 ZINC000020179465 171044596 /nfs/dbraw/zinc/04/45/96/171044596.db2.gz VKOZWOXMYJTPJA-KRWDZBQOSA-N 1 3 275.440 2.268 10 0 CEAEHO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-n2cccn2)cc1 ZINC000040750308 174394810 /nfs/dbraw/zinc/39/48/10/174394810.db2.gz KBCPOQHKBUYOQA-ZXFUBFMLSA-N 1 3 282.391 2.326 10 0 CEAEHO c1ccc([C@H](CN[C@@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000043324491 175007125 /nfs/dbraw/zinc/00/71/25/175007125.db2.gz ZPEDGGOLPPUVNF-SJORKVTESA-N 1 3 273.424 2.165 10 0 CEAEHO CC[NH2+][C@H](CN1CCCN(C)CC1)c1ccc(C)cc1 ZINC000043818302 175112841 /nfs/dbraw/zinc/11/28/41/175112841.db2.gz IOGNDAVZLTZDQH-QGZVFWFLSA-N 1 3 275.440 2.283 10 0 CEAEHO C[NH2+][C@@H]1CCCCCC[C@H]1N1CCN(C(C)C)CC1 ZINC000043896908 175119723 /nfs/dbraw/zinc/11/97/23/175119723.db2.gz WGXHTUBNZKYTRK-HZPDHXFCSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[NH2+][C@@H](CN1CCN(C(C)C)CC1)C(C)(C)C ZINC000043897059 175120116 /nfs/dbraw/zinc/12/01/16/175120116.db2.gz RHOMWHRAHDEQPB-AWEZNQCLSA-N 1 3 255.450 2.037 10 0 CEAEHO CCC[NH2+][C@H](CC)[C@H](C)N1CCN(C(C)C)CC1 ZINC000043897195 175120190 /nfs/dbraw/zinc/12/01/90/175120190.db2.gz IJNPSYUXCVISCI-LSDHHAIUSA-N 1 3 255.450 2.179 10 0 CEAEHO CCCC(C[NH3+])(CCC)C(=O)NC[C@@H]1CCCCN1C ZINC000044808428 175256948 /nfs/dbraw/zinc/25/69/48/175256948.db2.gz AGSUPGFOOBWJBA-AWEZNQCLSA-N 1 3 283.460 2.132 10 0 CEAEHO C[C@H](CNC1=[NH+]C[C@@H](c2ccccc2)S1)N(C)C ZINC000045108734 175308737 /nfs/dbraw/zinc/30/87/37/175308737.db2.gz DJOGOWISPFTNJH-YPMHNXCESA-N 1 3 263.410 2.370 10 0 CEAEHO CC(C)CCOCCN1CC[C@@H](C)[NH2+]C[C@@H](C)C1 ZINC000045109371 175309193 /nfs/dbraw/zinc/30/91/93/175309193.db2.gz CHXITXMEDYLILC-HUUCEWRRSA-N 1 3 256.434 2.369 10 0 CEAEHO CC(C)CCOCCN1C[C@@H](C)C[NH2+]C[C@H](C)C1 ZINC000045109376 175309468 /nfs/dbraw/zinc/30/94/68/175309468.db2.gz HTLXONJLOVKBLC-GJZGRUSLSA-N 1 3 256.434 2.227 10 0 CEAEHO CC[NH2+][C@@H](C)c1cccc(NC(=O)NC[C@@H](C)N(C)C)c1 ZINC000045113989 175311155 /nfs/dbraw/zinc/31/11/55/175311155.db2.gz JBFZYUFFIMZWJM-OLZOCXBDSA-N 1 3 292.427 2.429 10 0 CEAEHO CC[C@H]1CSC(NC[C@@H]2CC[N@@H+](C(C)C)C2)=N1 ZINC000045136105 175313356 /nfs/dbraw/zinc/31/33/56/175313356.db2.gz FSDHSVFNMKMBTR-RYUDHWBXSA-N 1 3 255.431 2.188 10 0 CEAEHO CC[C@H]1CSC(NC[C@@H]2CC[N@H+](C(C)C)C2)=N1 ZINC000045136105 175313357 /nfs/dbraw/zinc/31/33/57/175313357.db2.gz FSDHSVFNMKMBTR-RYUDHWBXSA-N 1 3 255.431 2.188 10 0 CEAEHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2c(C)nn(C)c2C)C1 ZINC000045171408 175320862 /nfs/dbraw/zinc/32/08/62/175320862.db2.gz ORKBGXVJKPDODB-FZMZJTMJSA-N 1 3 264.417 2.029 10 0 CEAEHO CCOC(=O)[C@@H]1CCC[N@H+](C[C@@H](CN)c2ccccc2)C1 ZINC000070941101 176014631 /nfs/dbraw/zinc/01/46/31/176014631.db2.gz ISEDWODTYHSBCR-HZPDHXFCSA-N 1 3 290.407 2.004 10 0 CEAEHO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@H](CN)c2ccccc2)C1 ZINC000070941101 176014632 /nfs/dbraw/zinc/01/46/32/176014632.db2.gz ISEDWODTYHSBCR-HZPDHXFCSA-N 1 3 290.407 2.004 10 0 CEAEHO CC[C@@H](CC[NH3+])N1CCN([C@H](C)c2ccccc2)CC1 ZINC000070988417 176018691 /nfs/dbraw/zinc/01/86/91/176018691.db2.gz HXOPOMRYCVBNAN-WBVHZDCISA-N 1 3 275.440 2.493 10 0 CEAEHO CC[C@H]1CCCC[C@]1(CN)[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000071162215 176046542 /nfs/dbraw/zinc/04/65/42/176046542.db2.gz HTRRETKXEXMOSI-YESZJQIVSA-N 1 3 279.472 2.454 10 0 CEAEHO CC[C@H]1CCCC[C@]1(CN)[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000071162215 176046546 /nfs/dbraw/zinc/04/65/46/176046546.db2.gz HTRRETKXEXMOSI-YESZJQIVSA-N 1 3 279.472 2.454 10 0 CEAEHO CCCNCc1ccc(CN(C)C[C@H]2CC[N@H+](C)C2)o1 ZINC000071191957 176072411 /nfs/dbraw/zinc/07/24/11/176072411.db2.gz INAPYWHKQHZLCV-AWEZNQCLSA-N 1 3 279.428 2.163 10 0 CEAEHO CCCNCc1ccc(CN(C)C[C@H]2CC[N@@H+](C)C2)o1 ZINC000071191957 176072413 /nfs/dbraw/zinc/07/24/13/176072413.db2.gz INAPYWHKQHZLCV-AWEZNQCLSA-N 1 3 279.428 2.163 10 0 CEAEHO CC[NH2+][C@H]1CCCN([C@@H](CC(C)C)CN(C)C)C1 ZINC000071200578 176077857 /nfs/dbraw/zinc/07/78/57/176077857.db2.gz IJKWYEBEPNQQSH-GJZGRUSLSA-N 1 3 255.450 2.037 10 0 CEAEHO CCC[C@@H]1CN[C@](C)(CC)C[N@@H+]1CCn1ccnc1C ZINC000071356832 176136650 /nfs/dbraw/zinc/13/66/50/176136650.db2.gz XFWLTABULOIXDE-HZPDHXFCSA-N 1 3 278.444 2.434 10 0 CEAEHO CCC[C@@H]1CN[C@](C)(CC)C[N@H+]1CCn1ccnc1C ZINC000071356832 176136652 /nfs/dbraw/zinc/13/66/52/176136652.db2.gz XFWLTABULOIXDE-HZPDHXFCSA-N 1 3 278.444 2.434 10 0 CEAEHO Cc1nccn1CC[N@H+]1CC2(CCCCC2)NC[C@H]1C ZINC000071359296 176137456 /nfs/dbraw/zinc/13/74/56/176137456.db2.gz XLVKYVDPCDCWMQ-CQSZACIVSA-N 1 3 276.428 2.188 10 0 CEAEHO Cc1nccn1CC[N@@H+]1CC2(CCCCC2)NC[C@H]1C ZINC000071359296 176137457 /nfs/dbraw/zinc/13/74/57/176137457.db2.gz XLVKYVDPCDCWMQ-CQSZACIVSA-N 1 3 276.428 2.188 10 0 CEAEHO CCC[C@@H](CC[NH3+])CCC(=O)N(C)CCN1CCCC1 ZINC000079242157 177454842 /nfs/dbraw/zinc/45/48/42/177454842.db2.gz YYXNPJKYVZFDCO-OAHLLOKOSA-N 1 3 283.460 2.086 10 0 CEAEHO CC(C)[C@H]([NH3+])CC(=O)Nc1cccc(CN(C)C)c1 ZINC000136335795 419444709 /nfs/dbraw/zinc/44/47/09/419444709.db2.gz GDSSVSDLSOSCDJ-CQSZACIVSA-N 1 3 263.385 2.060 10 0 CEAEHO C[C@H](NC[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423098042 270835011 /nfs/dbraw/zinc/83/50/11/270835011.db2.gz JUMWREJQLZLYJX-AIEDFZFUSA-N 1 3 254.418 2.310 10 0 CEAEHO CC1(C)C[N@@H+](CCCOCC(F)(F)F)CC[C@@H]1N ZINC000310683429 281235926 /nfs/dbraw/zinc/23/59/26/281235926.db2.gz SVZGMMQIMOSXSJ-JTQLQIEISA-N 1 3 268.323 2.015 10 0 CEAEHO CC1(C)CN(CCCOCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000310683429 281235922 /nfs/dbraw/zinc/23/59/22/281235922.db2.gz SVZGMMQIMOSXSJ-JTQLQIEISA-N 1 3 268.323 2.015 10 0 CEAEHO CC1(C)C[N@H+](CCCOCC(F)(F)F)CC[C@@H]1N ZINC000310683429 281235924 /nfs/dbraw/zinc/23/59/24/281235924.db2.gz SVZGMMQIMOSXSJ-JTQLQIEISA-N 1 3 268.323 2.015 10 0 CEAEHO CC[C@](C)(O)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000249398464 281291177 /nfs/dbraw/zinc/29/11/77/281291177.db2.gz SFMPEBMRKUWOLL-CABCVRRESA-N 1 3 254.418 2.098 10 0 CEAEHO CC(C)[C@H](C[NH2+]C1CC1)N1CCN(C(C)(C)C)CC1 ZINC000052571558 519815912 /nfs/dbraw/zinc/81/59/12/519815912.db2.gz JFWYKTSGIFSPJC-HNNXBMFYSA-N 1 3 267.461 2.179 10 0 CEAEHO CCC[NH2+]CC[C@@H](C)N(CCN(C)C)CC(C)C ZINC000052503418 519918839 /nfs/dbraw/zinc/91/88/39/519918839.db2.gz RBYVVUANWGLKLP-OAHLLOKOSA-N 1 3 257.466 2.284 10 0 CEAEHO CCC[NH2+][C@@H](CCC)CN1CCN(CC(C)C)CC1 ZINC000055078659 519993605 /nfs/dbraw/zinc/99/36/05/519993605.db2.gz VISNIBBYHIXGKV-INIZCTEOSA-N 1 3 269.477 2.428 10 0 CEAEHO CC[NH2+]Cc1ccc(CN(CC)[C@@H](C)COC)o1 ZINC000052504792 519995057 /nfs/dbraw/zinc/99/50/57/519995057.db2.gz RNWAOZREJWQSEP-LBPRGKRZSA-N 1 3 254.374 2.246 10 0 CEAEHO CCCc1nc(N(C)[C@@H]2CCCN(C)C2)sc1C[NH2+]C ZINC000054998309 521528419 /nfs/dbraw/zinc/52/84/19/521528419.db2.gz BXFSMHMYTMVNGE-GFCCVEGCSA-N 1 3 296.484 2.345 10 0 CEAEHO CCCN(CCN(C)C)[C@H](C[NH2+]C(C)C)C(C)C ZINC000052544101 521657487 /nfs/dbraw/zinc/65/74/87/521657487.db2.gz OWJQELOXKZRMCD-OAHLLOKOSA-N 1 3 257.466 2.283 10 0 CEAEHO CC[C@@H](C)N1CCN(CCCC[C@H](C)[NH2+]C)CC1 ZINC000055065107 522117803 /nfs/dbraw/zinc/11/78/03/522117803.db2.gz GZHUZHILKFJLOS-LSDHHAIUSA-N 1 3 255.450 2.181 10 0 CEAEHO C[NH2+][C@H](C)c1cnc(N(CCN(C)C)CC(C)C)s1 ZINC000054906368 522454464 /nfs/dbraw/zinc/45/44/64/522454464.db2.gz TYCFTUQWLQNRIM-GFCCVEGCSA-N 1 3 284.473 2.448 10 0 CEAEHO CC(C)(C)[NH2+]C[C@H]1CCCN(C2CCOCC2)C1 ZINC000069311265 518761742 /nfs/dbraw/zinc/76/17/42/518761742.db2.gz NZKQQMDFCZFRDS-CYBMUJFWSA-N 1 3 254.418 2.266 10 0 CEAEHO CC(C)CN(CCN(C)C)C[C@H](C)C[NH2+]C(C)C ZINC000052503298 519716111 /nfs/dbraw/zinc/71/61/11/519716111.db2.gz ANMCZYPZXLKANA-OAHLLOKOSA-N 1 3 257.466 2.140 10 0 CEAEHO CC(C)C[N@H+](CCN(C)C)[C@H](CN)CCc1ccccc1 ZINC000061625066 519716943 /nfs/dbraw/zinc/71/69/43/519716943.db2.gz GDXZFDZCYNBHNN-SFHVURJKSA-N 1 3 291.483 2.466 10 0 CEAEHO CC(C)C[N@@H+](CCN(C)C)[C@H](CN)CCc1ccccc1 ZINC000061625066 519716945 /nfs/dbraw/zinc/71/69/45/519716945.db2.gz GDXZFDZCYNBHNN-SFHVURJKSA-N 1 3 291.483 2.466 10 0 CEAEHO CC(C)[NH2+]C[C@@H]1CC[C@@H](CN(C)CCc2ccncc2)O1 ZINC000052483154 519723488 /nfs/dbraw/zinc/72/34/88/519723488.db2.gz BMFHVEZWPGTORS-IRXDYDNUSA-N 1 3 291.439 2.102 10 0 CEAEHO CC(C)CN1CCN(CC[NH2+][C@@H]2CCCC[C@H]2C)CC1 ZINC000055076102 519725976 /nfs/dbraw/zinc/72/59/76/519725976.db2.gz MYLRSZHHZJSVND-IAGOWNOFSA-N 1 3 281.488 2.428 10 0 CEAEHO CC(C)[NH2+]Cc1ccc(OCCOCCN(C)C)cc1 ZINC000052669686 519727242 /nfs/dbraw/zinc/72/72/42/519727242.db2.gz IRCRGJHSJFWKFY-UHFFFAOYSA-N 1 3 280.412 2.142 10 0 CEAEHO CC(C)NCc1cccc(N2CCC[C@@H]2C[NH+](C)C)n1 ZINC000061654319 519727374 /nfs/dbraw/zinc/72/73/74/519727374.db2.gz OCUNMCGOPTUPTM-OAHLLOKOSA-N 1 3 276.428 2.110 10 0 CEAEHO CC(C)CN1CCN([C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000055079045 519728130 /nfs/dbraw/zinc/72/81/30/519728130.db2.gz JNDUQWXNCHKQIQ-WBVHZDCISA-N 1 3 275.440 2.349 10 0 CEAEHO CC(C)C[NH2+]C[C@H](C)CN1CCN(C2CCCC2)CC1 ZINC000052573486 519745830 /nfs/dbraw/zinc/74/58/30/519745830.db2.gz NPWZMHGVATUGKT-INIZCTEOSA-N 1 3 281.488 2.428 10 0 CEAEHO CC(C)C[NH2+]C[C@H](C)N(CCN(C)C)CC(C)C ZINC000052503272 519745837 /nfs/dbraw/zinc/74/58/37/519745837.db2.gz YBOOVXMUMKVNIL-HNNXBMFYSA-N 1 3 257.466 2.140 10 0 CEAEHO CC(C)C[NH2+]Cc1ccc(CN2CCCN(C)CC2)o1 ZINC000052424199 519747096 /nfs/dbraw/zinc/74/70/96/519747096.db2.gz UFAGYWUNVFBZIC-UHFFFAOYSA-N 1 3 279.428 2.163 10 0 CEAEHO CCC[NH2+]CC(C)(C)CN1CCC[C@@H]1CCCO ZINC000052763377 519908558 /nfs/dbraw/zinc/90/85/58/519908558.db2.gz OOFRBKWMOQAREP-CQSZACIVSA-N 1 3 256.434 2.249 10 0 CEAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCC[C@@H]1OC ZINC000054628532 519910547 /nfs/dbraw/zinc/91/05/47/519910547.db2.gz SRKSVUGPJBITJY-ZKXZWOTCSA-N 1 3 252.402 2.159 10 0 CEAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCC[C@@H]1OC ZINC000054628532 519910550 /nfs/dbraw/zinc/91/05/50/519910550.db2.gz SRKSVUGPJBITJY-ZKXZWOTCSA-N 1 3 252.402 2.159 10 0 CEAEHO CCCNCc1cc(C)nc(CC[NH+](CC)CC)n1 ZINC000054831434 519945828 /nfs/dbraw/zinc/94/58/28/519945828.db2.gz NTWRAWVCRIOCEV-UHFFFAOYSA-N 1 3 264.417 2.169 10 0 CEAEHO CCNCc1c(C)cc(C)nc1N1CCC[C@H]1C[NH+](C)C ZINC000061654190 519983139 /nfs/dbraw/zinc/98/31/39/519983139.db2.gz GFROWTPCXMTHOO-HNNXBMFYSA-N 1 3 290.455 2.338 10 0 CEAEHO CCNCc1cc(COCCC[NH+](C)C)oc1C ZINC000052672346 519989460 /nfs/dbraw/zinc/98/94/60/519989460.db2.gz QEFZCJQKQPYPGL-UHFFFAOYSA-N 1 3 254.374 2.166 10 0 CEAEHO CC[NH2+]Cc1ccc(OCCN(C)[C@@H](C)COC)cc1 ZINC000052511659 519999490 /nfs/dbraw/zinc/99/94/90/519999490.db2.gz GXZHEXCUKMSGCC-AWEZNQCLSA-N 1 3 280.412 2.142 10 0 CEAEHO CC[NH2+]Cc1cccc(OCCN(C)[C@H](C)COC)c1 ZINC000052511641 520007226 /nfs/dbraw/zinc/00/72/26/520007226.db2.gz LMQNEHMPYAKEKB-CQSZACIVSA-N 1 3 280.412 2.142 10 0 CEAEHO CC[NH2+]Cc1cccnc1N1CCN([C@@H](C)CC)CC1 ZINC000055073347 520010721 /nfs/dbraw/zinc/01/07/21/520010721.db2.gz QJGMVKVPBFEKJH-AWEZNQCLSA-N 1 3 276.428 2.112 10 0 CEAEHO CC[NH2+][C@H](C)c1sc(N2CCCN(C)CC2)nc1C ZINC000054899079 520182559 /nfs/dbraw/zinc/18/25/59/520182559.db2.gz QVIPZZXOFVHSAF-LLVKDONJSA-N 1 3 282.457 2.264 10 0 CEAEHO CCCC[NH2+]C[C@@H](C)N1CCN([C@H](C)CC)CC1 ZINC000055075280 520691750 /nfs/dbraw/zinc/69/17/50/520691750.db2.gz LOKFHOISOTZNRC-HUUCEWRRSA-N 1 3 255.450 2.181 10 0 CEAEHO CCC[C@H]([NH2+]C)[C@H](CC)N1CCN(CC(C)C)CC1 ZINC000055079235 521153668 /nfs/dbraw/zinc/15/36/68/521153668.db2.gz RPRGYKYSRRONJE-HOTGVXAUSA-N 1 3 269.477 2.427 10 0 CEAEHO CCCC[C@](CC)(C[NH3+])N1CCN(C(C)C)CC1 ZINC000069379695 521253033 /nfs/dbraw/zinc/25/30/33/521253033.db2.gz NGNDKFABZCPPFV-OAHLLOKOSA-N 1 3 255.450 2.310 10 0 CEAEHO CCCC[C@](CC)(CN)[N@@H+]1CCC[C@@H]1CN(C)C ZINC000069380897 521253561 /nfs/dbraw/zinc/25/35/61/521253561.db2.gz NLSMZSIMZKNHES-HUUCEWRRSA-N 1 3 255.450 2.310 10 0 CEAEHO CCCC[C@](CC)(CN)[N@H+]1CCC[C@@H]1CN(C)C ZINC000069380897 521253573 /nfs/dbraw/zinc/25/35/73/521253573.db2.gz NLSMZSIMZKNHES-HUUCEWRRSA-N 1 3 255.450 2.310 10 0 CEAEHO CCCc1nc(N(C)[C@H]2CCCN(C)C2)sc1C[NH2+]C ZINC000054998310 521529772 /nfs/dbraw/zinc/52/97/72/521529772.db2.gz BXFSMHMYTMVNGE-LBPRGKRZSA-N 1 3 296.484 2.345 10 0 CEAEHO CCN1CCN([C@H](C)CCC[NH2+]CC(C)C)CC1 ZINC000052422446 521694028 /nfs/dbraw/zinc/69/40/28/521694028.db2.gz OMXYUHPIPAUTHY-OAHLLOKOSA-N 1 3 255.450 2.038 10 0 CEAEHO C[NH+](C)C[C@@H]1CCCN1c1nc(CN)cc2ccccc21 ZINC000061654338 521844991 /nfs/dbraw/zinc/84/49/91/521844991.db2.gz GNTHHFHFLHJDRY-HNNXBMFYSA-N 1 3 284.407 2.224 10 0 CEAEHO C[NH+](C)C[C@@H]1CCCN1c1ccccc1CNC1CC1 ZINC000061646024 521845955 /nfs/dbraw/zinc/84/59/55/521845955.db2.gz OLGQBSFMVPQDKA-INIZCTEOSA-N 1 3 273.424 2.469 10 0 CEAEHO C[NH2+]CCC[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000052417329 521998994 /nfs/dbraw/zinc/99/89/94/521998994.db2.gz JGOVVFVPJZDKGZ-OAHLLOKOSA-N 1 3 261.413 2.197 10 0 CEAEHO CC[C@@H](C)N1CCN(Cc2ccc(C[NH2+]C)cc2)CC1 ZINC000055074132 522126847 /nfs/dbraw/zinc/12/68/47/522126847.db2.gz BWLZHRDAUPBJHO-OAHLLOKOSA-N 1 3 275.440 2.322 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000055063996 522132056 /nfs/dbraw/zinc/13/20/56/522132056.db2.gz KCECECIUHPOVGD-CZUORRHYSA-N 1 3 279.403 2.242 10 0 CEAEHO CNCc1ccoc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000052484202 522139075 /nfs/dbraw/zinc/13/90/75/522139075.db2.gz GMQWWNAXVGGDMD-UHFFFAOYSA-N 1 3 291.439 2.449 10 0 CEAEHO CC[C@H](C[NH2+]C(C)(C)C)N1CCN(CC2CC2)CC1 ZINC000052372418 522188862 /nfs/dbraw/zinc/18/88/62/522188862.db2.gz LRKFAAKFMHMREB-OAHLLOKOSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@H](CNC1CC1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545298 522191602 /nfs/dbraw/zinc/19/16/02/522191602.db2.gz RPBDXMLWMQVHRI-SWLSCSKDSA-N 1 3 254.418 2.264 10 0 CEAEHO CC[C@H](CNC1CC1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545298 522191610 /nfs/dbraw/zinc/19/16/10/522191610.db2.gz RPBDXMLWMQVHRI-SWLSCSKDSA-N 1 3 254.418 2.264 10 0 CEAEHO CC[C@H]1CC[C@H]([NH2+]C)[C@H](N2CCC[C@@H]2CN(C)C)C1 ZINC000061646451 523205081 /nfs/dbraw/zinc/20/50/81/523205081.db2.gz LJLDEOGESVCHEI-XUWVNRHRSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@]1(C)CN[C@H](C(C)C)C[N@@H+]1CCn1ccnc1C ZINC000068704262 523719424 /nfs/dbraw/zinc/71/94/24/523719424.db2.gz MZGHTGZUUHLOPT-HOTGVXAUSA-N 1 3 278.444 2.290 10 0 CEAEHO CC[C@@]1(C)CN[C@H](C(C)C)C[N@H+]1CCn1ccnc1C ZINC000068704262 523719428 /nfs/dbraw/zinc/71/94/28/523719428.db2.gz MZGHTGZUUHLOPT-HOTGVXAUSA-N 1 3 278.444 2.290 10 0 CEAEHO COCCN(Cc1cc(C[NH3+])c(C)o1)CC(C)C ZINC000052508540 523740295 /nfs/dbraw/zinc/74/02/95/523740295.db2.gz FQEBBIUAYNACSD-UHFFFAOYSA-N 1 3 254.374 2.151 10 0 CEAEHO CN1CCC(C[NH3+])(N2CCC3(CCCC3)CC2)CC1 ZINC000062952681 523761164 /nfs/dbraw/zinc/76/11/64/523761164.db2.gz JIURVSTYMGCOPO-UHFFFAOYSA-N 1 3 265.445 2.066 10 0 CEAEHO CC[C@H](C)N1CCN(Cc2cccc(C[NH3+])c2)CC1 ZINC000055064266 523957366 /nfs/dbraw/zinc/95/73/66/523957366.db2.gz UWTIUXQPBDFXBA-AWEZNQCLSA-N 1 3 261.413 2.061 10 0 CEAEHO CCc1ccc([C@@H](C[NH3+])N2CCN(CC(C)C)CC2)o1 ZINC000055077938 524028483 /nfs/dbraw/zinc/02/84/83/524028483.db2.gz YMJNQMFJTQQUQS-OAHLLOKOSA-N 1 3 279.428 2.115 10 0 CEAEHO C[C@H](C[NH2+]C1CCCCC1)N1CCC[C@@H]1CN(C)C ZINC000061655065 524482219 /nfs/dbraw/zinc/48/22/19/524482219.db2.gz SLUAVPKIAVLMLM-GDBMZVCRSA-N 1 3 267.461 2.323 10 0 CEAEHO NC(=[NH2+])C[C@@H](c1ccccc1)N1CCCSCC1 ZINC000055023204 526816226 /nfs/dbraw/zinc/81/62/26/526816226.db2.gz GABDYJDQRJAFFD-ZDUSSCGKSA-N 1 3 263.410 2.493 10 0 CEAEHO N=C(N)c1ncccc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000061658390 526826069 /nfs/dbraw/zinc/82/60/69/526826069.db2.gz NKXYQJMINMZZHQ-AWEZNQCLSA-N 1 3 280.375 2.355 10 0 CEAEHO N=C(N)c1ncccc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000061658390 526826073 /nfs/dbraw/zinc/82/60/73/526826073.db2.gz NKXYQJMINMZZHQ-AWEZNQCLSA-N 1 3 280.375 2.355 10 0 CEAEHO Cc1nc(N(C)C2CCN(C)CC2)sc1[C@@H](C)[NH3+] ZINC000054864010 526950860 /nfs/dbraw/zinc/95/08/60/526950860.db2.gz NQUDOVWVLAZOES-SECBINFHSA-N 1 3 268.430 2.002 10 0 CEAEHO Cc1nc(N(C)[C@H]2CCCN(C)C2)sc1C[NH2+]C(C)C ZINC000054998288 526952431 /nfs/dbraw/zinc/95/24/31/526952431.db2.gz GPQHWANVFGQQCC-ZDUSSCGKSA-N 1 3 296.484 2.480 10 0 CEAEHO Cc1nc(N(CCN(C)C)CC(C)C)sc1[C@H](C)[NH3+] ZINC000054896613 526953059 /nfs/dbraw/zinc/95/30/59/526953059.db2.gz HUZJYWWXNJOSNC-NSHDSACASA-N 1 3 284.473 2.495 10 0 CEAEHO NC[C@H]1CCCCC[C@@H]1[N@@H+]1CCC[C@@H]1CCCO ZINC000052758170 527230197 /nfs/dbraw/zinc/23/01/97/527230197.db2.gz KKXNLLPZCNZCDX-KFWWJZLASA-N 1 3 254.418 2.131 10 0 CEAEHO NC[C@H]1CCCCC[C@@H]1[N@H+]1CCC[C@@H]1CCCO ZINC000052758170 527230205 /nfs/dbraw/zinc/23/02/05/527230205.db2.gz KKXNLLPZCNZCDX-KFWWJZLASA-N 1 3 254.418 2.131 10 0 CEAEHO [NH3+]C[C@H](c1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000052060131 527230730 /nfs/dbraw/zinc/23/07/30/527230730.db2.gz RJIURAJGXDEWQN-QGZVFWFLSA-N 1 3 273.424 2.247 10 0 CEAEHO FC(F)(F)COCCCN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000049564877 527669706 /nfs/dbraw/zinc/66/97/06/527669706.db2.gz KNEOVGOKDHNALW-NEPJUHHUSA-N 1 3 280.334 2.172 10 0 CEAEHO FC(F)(F)COCCCN[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000049564877 527669707 /nfs/dbraw/zinc/66/97/07/527669707.db2.gz KNEOVGOKDHNALW-NEPJUHHUSA-N 1 3 280.334 2.172 10 0 CEAEHO CC(C)CN1CCC2(CC1)[NH2+]CC[C@@H](C1CC1)O2 ZINC000757154272 574511137 /nfs/dbraw/zinc/51/11/37/574511137.db2.gz ZQQRGEFERCKWAT-AWEZNQCLSA-N 1 3 252.402 2.223 10 0 CEAEHO Cc1cc(CN2C[C@H]3CCC[C@@H](C[NH+](C)C)[C@H]3C2)nn1C ZINC000096081871 185091236 /nfs/dbraw/zinc/09/12/36/185091236.db2.gz KHPZCKPIJHODEJ-ZMSDIMECSA-N 1 3 290.455 2.138 10 0 CEAEHO [NH3+]CCCN1CCN([C@@H]2CCCCc3ccccc32)CC1 ZINC000140954561 344399676 /nfs/dbraw/zinc/39/96/76/344399676.db2.gz FKSKQIYSXWUWRD-GOSISDBHSA-N 1 3 287.451 2.421 10 0 CEAEHO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1cccc(CN2CCCC2)c1 ZINC000085361665 179033766 /nfs/dbraw/zinc/03/37/66/179033766.db2.gz AEIRCISCYTYWGG-CVEARBPZSA-N 1 3 287.407 2.348 10 0 CEAEHO CCC1(CC)CN[C@H](C)C[N@@H+]1CCn1ccnc1C ZINC000085454308 179066945 /nfs/dbraw/zinc/06/69/45/179066945.db2.gz WLBZIWZTAMGULA-CYBMUJFWSA-N 1 3 264.417 2.044 10 0 CEAEHO CCC1(CC)CN[C@H](C)C[N@H+]1CCn1ccnc1C ZINC000085454308 179066948 /nfs/dbraw/zinc/06/69/48/179066948.db2.gz WLBZIWZTAMGULA-CYBMUJFWSA-N 1 3 264.417 2.044 10 0 CEAEHO CCC[C@H]1CN[C@H](CC)C[N@@H+]1CCn1ccnc1C ZINC000085472659 179077035 /nfs/dbraw/zinc/07/70/35/179077035.db2.gz ZZKZQVDRYQARBI-CABCVRRESA-N 1 3 264.417 2.044 10 0 CEAEHO CCC[C@H]1CN[C@H](CC)C[N@H+]1CCn1ccnc1C ZINC000085472659 179077037 /nfs/dbraw/zinc/07/70/37/179077037.db2.gz ZZKZQVDRYQARBI-CABCVRRESA-N 1 3 264.417 2.044 10 0 CEAEHO CC[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1CCn1ccnc1C ZINC000085510338 179086066 /nfs/dbraw/zinc/08/60/66/179086066.db2.gz LSTCYUHNPPGNTL-HOTGVXAUSA-N 1 3 276.428 2.044 10 0 CEAEHO CC[C@H]1CN[C@](C)(C2CC2)C[N@H+]1CCn1ccnc1C ZINC000085510338 179086068 /nfs/dbraw/zinc/08/60/68/179086068.db2.gz LSTCYUHNPPGNTL-HOTGVXAUSA-N 1 3 276.428 2.044 10 0 CEAEHO CCC[C@H]1CN[C@@H](C2CC2)C[N@@H+]1CCn1ccnc1C ZINC000085523440 179088395 /nfs/dbraw/zinc/08/83/95/179088395.db2.gz XWTZZHQBEYXSOP-JKSUJKDBSA-N 1 3 276.428 2.044 10 0 CEAEHO CCC[C@H]1CN[C@@H](C2CC2)C[N@H+]1CCn1ccnc1C ZINC000085523440 179088396 /nfs/dbraw/zinc/08/83/96/179088396.db2.gz XWTZZHQBEYXSOP-JKSUJKDBSA-N 1 3 276.428 2.044 10 0 CEAEHO CC1(C)C[NH2+]C2(CCCCC2)CN1C[C@@H]1CCOC1 ZINC000085503534 179084010 /nfs/dbraw/zinc/08/40/10/179084010.db2.gz XTQBLTHHZSKMSN-AWEZNQCLSA-N 1 3 266.429 2.410 10 0 CEAEHO C[C@H]1CCN[C@H](C(C)(C)C)C[N@@H+]1CCCn1ccnc1 ZINC000085624042 179106560 /nfs/dbraw/zinc/10/65/60/179106560.db2.gz JQGYMJGSTJVUIK-GJZGRUSLSA-N 1 3 278.444 2.372 10 0 CEAEHO C[C@H]1CCN[C@H](C(C)(C)C)C[N@H+]1CCCn1ccnc1 ZINC000085624042 179106561 /nfs/dbraw/zinc/10/65/61/179106561.db2.gz JQGYMJGSTJVUIK-GJZGRUSLSA-N 1 3 278.444 2.372 10 0 CEAEHO C[C@H]1CC[NH2+][C@H](C(C)(C)C)CN1CCCn1ccnc1 ZINC000085624042 179106562 /nfs/dbraw/zinc/10/65/62/179106562.db2.gz JQGYMJGSTJVUIK-GJZGRUSLSA-N 1 3 278.444 2.372 10 0 CEAEHO CC(C)C[C@@H]1C[N@H+](CCCn2ccnc2)[C@@H](C)CCN1 ZINC000085621712 179105362 /nfs/dbraw/zinc/10/53/62/179105362.db2.gz JNAYIITYWVYDIN-JKSUJKDBSA-N 1 3 278.444 2.372 10 0 CEAEHO CC(C)C[C@@H]1C[N@@H+](CCCn2ccnc2)[C@@H](C)CCN1 ZINC000085621712 179105363 /nfs/dbraw/zinc/10/53/63/179105363.db2.gz JNAYIITYWVYDIN-JKSUJKDBSA-N 1 3 278.444 2.372 10 0 CEAEHO CC(C)C[C@@H]1CN(CCCn2ccnc2)[C@@H](C)CC[NH2+]1 ZINC000085621712 179105364 /nfs/dbraw/zinc/10/53/64/179105364.db2.gz JNAYIITYWVYDIN-JKSUJKDBSA-N 1 3 278.444 2.372 10 0 CEAEHO C[C@@H]1CCNC2(CCCCC2)C[N@@H+]1CCn1cccn1 ZINC000085621011 179106008 /nfs/dbraw/zinc/10/60/08/179106008.db2.gz NQXUJFQEJKPVOM-OAHLLOKOSA-N 1 3 276.428 2.270 10 0 CEAEHO C[C@@H]1CCNC2(CCCCC2)C[N@H+]1CCn1cccn1 ZINC000085621011 179106010 /nfs/dbraw/zinc/10/60/10/179106010.db2.gz NQXUJFQEJKPVOM-OAHLLOKOSA-N 1 3 276.428 2.270 10 0 CEAEHO CC[C@@H](C)[C@@H]1C[N@@H+]([C@@H]2CN3CCC2CC3)[C@H](C(C)C)CN1 ZINC000086152513 179240633 /nfs/dbraw/zinc/24/06/33/179240633.db2.gz WBWGRBALPNLNLJ-LAVFITLUSA-N 1 3 293.499 2.425 10 0 CEAEHO CC[C@@H](C)[C@@H]1C[N@H+]([C@@H]2CN3CCC2CC3)[C@H](C(C)C)CN1 ZINC000086152513 179240634 /nfs/dbraw/zinc/24/06/34/179240634.db2.gz WBWGRBALPNLNLJ-LAVFITLUSA-N 1 3 293.499 2.425 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@H+](C[C@@H]2CCN(C)C2)[C@H](C(C)C)CN1 ZINC000086171854 179242753 /nfs/dbraw/zinc/24/27/53/179242753.db2.gz JQFLXVCVTCLRTR-HZMVEIRTSA-N 1 3 281.488 2.283 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@@H+](C[C@@H]2CCN(C)C2)[C@H](C(C)C)CN1 ZINC000086171854 179242755 /nfs/dbraw/zinc/24/27/55/179242755.db2.gz JQFLXVCVTCLRTR-HZMVEIRTSA-N 1 3 281.488 2.283 10 0 CEAEHO CC(C)[C@@H]1C[N@H+](CC2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086173671 179244783 /nfs/dbraw/zinc/24/47/83/179244783.db2.gz PXNABJGOBWOLQW-IRXDYDNUSA-N 1 3 281.488 2.283 10 0 CEAEHO CC(C)[C@@H]1C[N@@H+](CC2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086173671 179244785 /nfs/dbraw/zinc/24/47/85/179244785.db2.gz PXNABJGOBWOLQW-IRXDYDNUSA-N 1 3 281.488 2.283 10 0 CEAEHO CCC1(CC)C[N@H+](CCCN(C)C)[C@H](C(C)C)CN1 ZINC000086217763 179249621 /nfs/dbraw/zinc/24/96/21/179249621.db2.gz WJPQPOXWNFBLJU-HNNXBMFYSA-N 1 3 269.477 2.427 10 0 CEAEHO CCC1(CC)C[N@@H+](CCCN(C)C)[C@H](C(C)C)CN1 ZINC000086217763 179249623 /nfs/dbraw/zinc/24/96/23/179249623.db2.gz WJPQPOXWNFBLJU-HNNXBMFYSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@]1(C)C[N@H+](C[C@@H]2CCN(C)C2)[C@H](C(C)C)CN1 ZINC000086223092 179251211 /nfs/dbraw/zinc/25/12/11/179251211.db2.gz LPEHEFJTTRYPEH-OWCLPIDISA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@]1(C)C[N@@H+](C[C@@H]2CCN(C)C2)[C@H](C(C)C)CN1 ZINC000086223092 179251213 /nfs/dbraw/zinc/25/12/13/179251213.db2.gz LPEHEFJTTRYPEH-OWCLPIDISA-N 1 3 267.461 2.037 10 0 CEAEHO CC(C)(C)[C@H]1C[N@H+](CCc2ccncc2)CCCN1 ZINC000086288767 179264892 /nfs/dbraw/zinc/26/48/92/179264892.db2.gz VJZNWRQLKGOBMB-OAHLLOKOSA-N 1 3 261.413 2.334 10 0 CEAEHO CC(C)(C)[C@H]1C[N@@H+](CCc2ccncc2)CCCN1 ZINC000086288767 179264894 /nfs/dbraw/zinc/26/48/94/179264894.db2.gz VJZNWRQLKGOBMB-OAHLLOKOSA-N 1 3 261.413 2.334 10 0 CEAEHO C[NH+](C)CC1CCN(c2nc3c(s2)CCC[C@H]3N)CC1 ZINC000086443423 179294007 /nfs/dbraw/zinc/29/40/07/179294007.db2.gz GOOAPOCNNPNXCY-GFCCVEGCSA-N 1 3 294.468 2.257 10 0 CEAEHO CCC[NH+]1CCC(O)([C@H]2NCc3ccccc32)CC1 ZINC000086666669 179317165 /nfs/dbraw/zinc/31/71/65/179317165.db2.gz NJGCFFMHNDPYHI-HNNXBMFYSA-N 1 3 260.381 2.068 10 0 CEAEHO CN1CCC[C@](CN)([N@@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000086819501 179348291 /nfs/dbraw/zinc/34/82/91/179348291.db2.gz RYWRGDIYJGXHCG-SJORKVTESA-N 1 3 279.472 2.454 10 0 CEAEHO CN1CCC[C@](CN)([N@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000086819501 179348294 /nfs/dbraw/zinc/34/82/94/179348294.db2.gz RYWRGDIYJGXHCG-SJORKVTESA-N 1 3 279.472 2.454 10 0 CEAEHO CCN1CCC[C@](CN)([N@H+](C)[C@@H](C)C(C)C)CC1 ZINC000086847148 179357283 /nfs/dbraw/zinc/35/72/83/179357283.db2.gz IDKSAFOTGFYQRI-GJZGRUSLSA-N 1 3 255.450 2.166 10 0 CEAEHO CCN1CCC[C@](CN)([N@@H+](C)[C@@H](C)C(C)C)CC1 ZINC000086847148 179357287 /nfs/dbraw/zinc/35/72/87/179357287.db2.gz IDKSAFOTGFYQRI-GJZGRUSLSA-N 1 3 255.450 2.166 10 0 CEAEHO CCN1CCC[C@H]([NH2+]Cc2ccc(C(=O)NC)cc2)CC1 ZINC000086836003 179349856 /nfs/dbraw/zinc/34/98/56/179349856.db2.gz JXGPJNKEBRHLNE-INIZCTEOSA-N 1 3 289.423 2.010 10 0 CEAEHO CCN1CCC[C@@H]([NH2+]C[C@@H]2COc3ccccc3O2)CC1 ZINC000086836544 179351669 /nfs/dbraw/zinc/35/16/69/179351669.db2.gz NVHPRNGJWNTICZ-HUUCEWRRSA-N 1 3 290.407 2.290 10 0 CEAEHO CCCN1CCC([NH2+][C@@H]2CCCN(CC)CC2)CC1 ZINC000086836815 179351736 /nfs/dbraw/zinc/35/17/36/179351736.db2.gz QDOAMDAWERVTIW-OAHLLOKOSA-N 1 3 267.461 2.325 10 0 CEAEHO CCC[N@H+](CC)[C@@]1(CN)CCCN(C(C)C)CC1 ZINC000086846753 179354657 /nfs/dbraw/zinc/35/46/57/179354657.db2.gz WTGRZXSKZCKVBH-HNNXBMFYSA-N 1 3 255.450 2.310 10 0 CEAEHO CCC[N@@H+](CC)[C@@]1(CN)CCCN(C(C)C)CC1 ZINC000086846753 179354658 /nfs/dbraw/zinc/35/46/58/179354658.db2.gz WTGRZXSKZCKVBH-HNNXBMFYSA-N 1 3 255.450 2.310 10 0 CEAEHO CCCN1CCC[C@@](CN)([N@H+](CC)CCC)CC1 ZINC000086846762 179354772 /nfs/dbraw/zinc/35/47/72/179354772.db2.gz KVFUSTYSEPNYRV-OAHLLOKOSA-N 1 3 255.450 2.312 10 0 CEAEHO CCCN1CCC[C@@](CN)([N@@H+](CC)CCC)CC1 ZINC000086846762 179354774 /nfs/dbraw/zinc/35/47/74/179354774.db2.gz KVFUSTYSEPNYRV-OAHLLOKOSA-N 1 3 255.450 2.312 10 0 CEAEHO CC[C@H]1CCC[C@](CN)([N@@H+]2CCCN(C)CC2)CC1 ZINC000086910566 179367345 /nfs/dbraw/zinc/36/73/45/179367345.db2.gz UFVSHQNKMRSUEL-HOTGVXAUSA-N 1 3 267.461 2.312 10 0 CEAEHO CC[C@H]1CCC[C@](CN)([N@H+]2CCCN(C)CC2)CC1 ZINC000086910566 179367347 /nfs/dbraw/zinc/36/73/47/179367347.db2.gz UFVSHQNKMRSUEL-HOTGVXAUSA-N 1 3 267.461 2.312 10 0 CEAEHO CC(C)[C@H]1CCC[C@](C[NH3+])(N(C)CCN(C)C)CC1 ZINC000086948971 179368903 /nfs/dbraw/zinc/36/89/03/179368903.db2.gz CMCSRRUWEWISIO-HOTGVXAUSA-N 1 3 269.477 2.414 10 0 CEAEHO CC(C)[C@H]1CCC[C@](CN)([N@H+](C)CCN(C)C)CC1 ZINC000086948971 179368904 /nfs/dbraw/zinc/36/89/04/179368904.db2.gz CMCSRRUWEWISIO-HOTGVXAUSA-N 1 3 269.477 2.414 10 0 CEAEHO CC(C)[C@H]1CCC[C@](CN)([N@@H+](C)CCN(C)C)CC1 ZINC000086948971 179368905 /nfs/dbraw/zinc/36/89/05/179368905.db2.gz CMCSRRUWEWISIO-HOTGVXAUSA-N 1 3 269.477 2.414 10 0 CEAEHO CC1CCC(O)(CNCC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000087062330 179389573 /nfs/dbraw/zinc/38/95/73/179389573.db2.gz FSYIHGQKUVACIW-PCKAHOCUSA-N 1 3 268.445 2.392 10 0 CEAEHO CC1CCC(O)(CNCC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000087062330 179389574 /nfs/dbraw/zinc/38/95/74/179389574.db2.gz FSYIHGQKUVACIW-PCKAHOCUSA-N 1 3 268.445 2.392 10 0 CEAEHO CCn1nc(C)cc1CN1CCC([C@H](C)[NH2+]C)CC1 ZINC000089180633 179744445 /nfs/dbraw/zinc/74/44/45/179744445.db2.gz DNPVGDIVZRPFGB-ZDUSSCGKSA-N 1 3 264.417 2.031 10 0 CEAEHO CCC[NH2+][C@@H]1COC[C@H]1CN1CCCc2ccccc2C1 ZINC000090566872 180006898 /nfs/dbraw/zinc/00/68/98/180006898.db2.gz JIPPIQXTLXRTNW-QZTJIDSGSA-N 1 3 288.435 2.449 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[N@@H+]1CCCc2ccccc2C1 ZINC000090566872 180006899 /nfs/dbraw/zinc/00/68/99/180006899.db2.gz JIPPIQXTLXRTNW-QZTJIDSGSA-N 1 3 288.435 2.449 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[N@H+]1CCCc2ccccc2C1 ZINC000090566872 180006901 /nfs/dbraw/zinc/00/69/01/180006901.db2.gz JIPPIQXTLXRTNW-QZTJIDSGSA-N 1 3 288.435 2.449 10 0 CEAEHO C[C@@H]([NH3+])C1CCN(C[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090878933 180052804 /nfs/dbraw/zinc/05/28/04/180052804.db2.gz OQWRKKYTBWOLKO-IAQYHMDHSA-N 1 3 278.371 2.188 10 0 CEAEHO C(C[NH+]1CCC2(CCCC2)CC1)[C@@H]1CNCCO1 ZINC000091314210 180133657 /nfs/dbraw/zinc/13/36/57/180133657.db2.gz UJNKQAQTILIOLG-CQSZACIVSA-N 1 3 252.402 2.021 10 0 CEAEHO CCNCc1oc(CN2CCC[C@H]([NH+](C)C)C2)cc1C ZINC000091449832 180158057 /nfs/dbraw/zinc/15/80/57/180158057.db2.gz RHOLVCRXMLUGPZ-AWEZNQCLSA-N 1 3 279.428 2.224 10 0 CEAEHO CCC[C@@H](CC[NH3+])CCC(=O)N1CCC[C@H](N(C)C)C1 ZINC000091393977 180145646 /nfs/dbraw/zinc/14/56/46/180145646.db2.gz XEMDASKPUORCDC-CABCVRRESA-N 1 3 283.460 2.084 10 0 CEAEHO CCCN(CC[NH+](C)C)c1cncc(CNC(C)(C)C)n1 ZINC000091420448 180150824 /nfs/dbraw/zinc/15/08/24/180150824.db2.gz HFGNYRGVAYSXSP-UHFFFAOYSA-N 1 3 293.459 2.143 10 0 CEAEHO CCN(CC)CC[C@H]([NH3+])Cc1ncc(C)c(OC)c1C ZINC000091715720 180232744 /nfs/dbraw/zinc/23/27/44/180232744.db2.gz MJNUGWGQQANNOX-AWEZNQCLSA-N 1 3 279.428 2.309 10 0 CEAEHO Cc1ncc(CNCCC2CC[NH+](C)CC2)s1 ZINC000105454523 186058079 /nfs/dbraw/zinc/05/80/79/186058079.db2.gz YEZRYAMJYGYGRI-UHFFFAOYSA-N 1 3 253.415 2.273 10 0 CEAEHO CCN(Cc1occc1C(=O)OC)C1CCC([NH3+])CC1 ZINC000091850898 180271965 /nfs/dbraw/zinc/27/19/65/180271965.db2.gz LTTRORFATYXMMC-UHFFFAOYSA-N 1 3 280.368 2.158 10 0 CEAEHO CCC[NH2+]C1CCC(N(C)CC(=O)N[C@H](C)CC)CC1 ZINC000091870103 180277160 /nfs/dbraw/zinc/27/71/60/180277160.db2.gz MUENMPUMKKULIO-WLYUNCDWSA-N 1 3 283.460 2.144 10 0 CEAEHO CCN(CC)Cc1ccccc1NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092203742 180343432 /nfs/dbraw/zinc/34/34/32/180343432.db2.gz AOTCVCJMZFVAII-UKRRQHHQSA-N 1 3 287.407 2.370 10 0 CEAEHO C[N@H+](C[C@H]1Cc2ccccc2S1)C1CCNCC1 ZINC000092267646 180355682 /nfs/dbraw/zinc/35/56/82/180355682.db2.gz GRSICLNMTXAPBM-CQSZACIVSA-N 1 3 262.422 2.387 10 0 CEAEHO C[N@@H+](C[C@H]1Cc2ccccc2S1)C1CCNCC1 ZINC000092267646 180355684 /nfs/dbraw/zinc/35/56/84/180355684.db2.gz GRSICLNMTXAPBM-CQSZACIVSA-N 1 3 262.422 2.387 10 0 CEAEHO C[N@@H+]1CCC[C@@H](CNC[C@@H]2COc3ccccc32)C1 ZINC000092300442 180358406 /nfs/dbraw/zinc/35/84/06/180358406.db2.gz IFNOLZONIXLSMA-UONOGXRCSA-N 1 3 260.381 2.094 10 0 CEAEHO C[N@H+]1CCC[C@@H](CNC[C@@H]2COc3ccccc32)C1 ZINC000092300442 180358409 /nfs/dbraw/zinc/35/84/09/180358409.db2.gz IFNOLZONIXLSMA-UONOGXRCSA-N 1 3 260.381 2.094 10 0 CEAEHO CCNc1ccnc(CN2CCC[C@@H]2C[NH+](C)C)c1 ZINC000092419019 180381958 /nfs/dbraw/zinc/38/19/58/180381958.db2.gz DOTCQGCODZXULA-OAHLLOKOSA-N 1 3 262.401 2.039 10 0 CEAEHO CNc1ccnc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000092419153 180382124 /nfs/dbraw/zinc/38/21/24/180382124.db2.gz MAVZWDHFIWPSID-MRXNPFEDSA-N 1 3 274.412 2.184 10 0 CEAEHO CN1CC[C@H](C[N@H+](C)Cc2cccc3c2NCC3)C1 ZINC000130557037 365967802 /nfs/dbraw/zinc/96/78/02/365967802.db2.gz LJCUXCSNIYUWJM-ZDUSSCGKSA-N 1 3 259.397 2.038 10 0 CEAEHO CN1CC[C@H](C[N@@H+](C)Cc2cccc3c2NCC3)C1 ZINC000130557037 365967807 /nfs/dbraw/zinc/96/78/07/365967807.db2.gz LJCUXCSNIYUWJM-ZDUSSCGKSA-N 1 3 259.397 2.038 10 0 CEAEHO CC[C@@H](c1nc(CCN(CC)CC)no1)[C@H](C)[NH2+]C ZINC000109496125 186256441 /nfs/dbraw/zinc/25/64/41/186256441.db2.gz GGOKOQGZIDBTEP-NWDGAFQWSA-N 1 3 268.405 2.055 10 0 CEAEHO CCNCc1cc(OCC[NH+](C)C)c2ccccc2n1 ZINC000109590638 186264600 /nfs/dbraw/zinc/26/46/00/186264600.db2.gz HDDZSJFYBBKBHI-UHFFFAOYSA-N 1 3 273.380 2.285 10 0 CEAEHO COc1cc2c(cc1F)nc(N)n2[C@@H](C)CC[NH+](C)C ZINC000110629884 186307154 /nfs/dbraw/zinc/30/71/54/186307154.db2.gz AKDPOKCKFJIULO-VIFPVBQESA-N 1 3 280.347 2.279 10 0 CEAEHO CCC[NH2+][C@H](CC)[C@@H](C)N1CCN(C)C(C)(C)C1 ZINC000110717314 186315348 /nfs/dbraw/zinc/31/53/48/186315348.db2.gz LOPSNTGOPZMZNJ-ZIAGYGMSSA-N 1 3 255.450 2.179 10 0 CEAEHO CN1CCN([C@@H]2CCCCCC[C@@H]2[NH3+])CC1(C)C ZINC000110716511 186316425 /nfs/dbraw/zinc/31/64/25/186316425.db2.gz AICFXUJJPYGMPF-UONOGXRCSA-N 1 3 253.434 2.063 10 0 CEAEHO CCOc1ccc([C@H](C[NH3+])N2CCN(CC)[C@@H](C)C2)cc1 ZINC000110709663 186316668 /nfs/dbraw/zinc/31/66/68/186316668.db2.gz UAINQTICMOEVCR-YOEHRIQHSA-N 1 3 291.439 2.111 10 0 CEAEHO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1CN1CCN(C)C(C)(C)C1 ZINC000110746820 186319513 /nfs/dbraw/zinc/31/95/13/186319513.db2.gz SMOUGKHKCCYQBY-XHSDSOJGSA-N 1 3 281.488 2.427 10 0 CEAEHO CC(C)NCc1occc1CN(C)CCC[NH+](C)C ZINC000111150450 186361147 /nfs/dbraw/zinc/36/11/47/186361147.db2.gz GCJPIPJJBHKYOK-UHFFFAOYSA-N 1 3 267.417 2.161 10 0 CEAEHO CCOCCN(CC)CC[C@@H]([NH3+])c1ccccc1 ZINC000111122884 186354394 /nfs/dbraw/zinc/35/43/94/186354394.db2.gz IKLHEHMDCSIVEE-OAHLLOKOSA-N 1 3 250.386 2.435 10 0 CEAEHO CCOCC[N@H+](CC)CC[C@@H](N)c1ccccc1 ZINC000111122884 186354396 /nfs/dbraw/zinc/35/43/96/186354396.db2.gz IKLHEHMDCSIVEE-OAHLLOKOSA-N 1 3 250.386 2.435 10 0 CEAEHO CCOCC[N@@H+](CC)CC[C@@H](N)c1ccccc1 ZINC000111122884 186354398 /nfs/dbraw/zinc/35/43/98/186354398.db2.gz IKLHEHMDCSIVEE-OAHLLOKOSA-N 1 3 250.386 2.435 10 0 CEAEHO C[NH2+][C@@H]1c2ccccc2CCC[C@@H]1N(C)CCN(C)C ZINC000111134389 186357096 /nfs/dbraw/zinc/35/70/96/186357096.db2.gz XNVAZCHIEBXKDA-DLBZAZTESA-N 1 3 275.440 2.145 10 0 CEAEHO CCc1ccc([C@@H]([NH2+]C)[C@@H](C)N(C)CCN(C)C)cc1 ZINC000111134436 186357481 /nfs/dbraw/zinc/35/74/81/186357481.db2.gz XPRMBVKBTXSFHI-PBHICJAKSA-N 1 3 277.456 2.391 10 0 CEAEHO C[NH2+][C@H](CN(C)CCN(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000111135128 186357709 /nfs/dbraw/zinc/35/77/09/186357709.db2.gz SBMKJUFEHBNVIA-AWDGRILASA-N 1 3 293.499 2.284 10 0 CEAEHO CC(C)[NH2+]CC1(CN(C)C[C@@H]2CCCOC2)CCOCC1 ZINC000111172143 186365287 /nfs/dbraw/zinc/36/52/87/186365287.db2.gz YXQYUVPKOJGAEI-INIZCTEOSA-N 1 3 298.471 2.140 10 0 CEAEHO CN(CCC[NH2+]C1CCCC1)C[C@H]1CCCOC1 ZINC000111176475 186365565 /nfs/dbraw/zinc/36/55/65/186365565.db2.gz POOAYKFIFWHDEE-CQSZACIVSA-N 1 3 254.418 2.267 10 0 CEAEHO CCC[NH2+]C[C@]1(CN2CCC[C@@H]2C)CCCOC1 ZINC000111323363 186396571 /nfs/dbraw/zinc/39/65/71/186396571.db2.gz FGMYCRPBGZVBMF-GJZGRUSLSA-N 1 3 254.418 2.267 10 0 CEAEHO CC[N@H+](C[C@@]1(CNC)CCCOC1)C1CCCC1 ZINC000111325298 186398276 /nfs/dbraw/zinc/39/82/76/186398276.db2.gz OUTROUPNFIBMRK-HNNXBMFYSA-N 1 3 254.418 2.267 10 0 CEAEHO CC[N@@H+](C[C@@]1(CNC)CCCOC1)C1CCCC1 ZINC000111325298 186398278 /nfs/dbraw/zinc/39/82/78/186398278.db2.gz OUTROUPNFIBMRK-HNNXBMFYSA-N 1 3 254.418 2.267 10 0 CEAEHO NC[C@@]1(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCCOC1 ZINC000111325855 186398659 /nfs/dbraw/zinc/39/86/59/186398659.db2.gz HDLPKFLTSNAPDA-ARFHVFGLSA-N 1 3 266.429 2.254 10 0 CEAEHO NC[C@@]1(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCCOC1 ZINC000111325855 186398660 /nfs/dbraw/zinc/39/86/60/186398660.db2.gz HDLPKFLTSNAPDA-ARFHVFGLSA-N 1 3 266.429 2.254 10 0 CEAEHO CCN(CC)Cc1cccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)c1 ZINC000111266779 186382701 /nfs/dbraw/zinc/38/27/01/186382701.db2.gz UXXVGHPWXSQZIY-BBRMVZONSA-N 1 3 289.423 2.322 10 0 CEAEHO c1nc2ccccc2n1CCC[NH2+][C@@H]1CCCNCC1 ZINC000133577020 366237073 /nfs/dbraw/zinc/23/70/73/366237073.db2.gz WIOCQMAKTLTJMR-CQSZACIVSA-N 1 3 272.396 2.158 10 0 CEAEHO Clc1ccc(CN2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000019688652 361546621 /nfs/dbraw/zinc/54/66/21/361546621.db2.gz YQTNVSSOCIXDIY-UHFFFAOYSA-N 1 3 293.842 2.210 10 0 CEAEHO C[C@@H](NCCOC1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000583137950 367005968 /nfs/dbraw/zinc/00/59/68/367005968.db2.gz WEJFFUSDOWMPIF-KGLIPLIRSA-N 1 3 254.418 2.313 10 0 CEAEHO C[C@@H]([NH2+]CCOC1CCCCC1)[C@H]1CCCNC1 ZINC000583137950 367005972 /nfs/dbraw/zinc/00/59/72/367005972.db2.gz WEJFFUSDOWMPIF-KGLIPLIRSA-N 1 3 254.418 2.313 10 0 CEAEHO Cc1ccc(C)c(OCCN2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631842903 367584466 /nfs/dbraw/zinc/58/44/66/367584466.db2.gz HEUCPXNIENTIGG-LSDHHAIUSA-N 1 3 262.397 2.209 10 0 CEAEHO C[C@H]1CN(CCOc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000631843193 367585806 /nfs/dbraw/zinc/58/58/06/367585806.db2.gz KDZOZLPHZKITGN-RYUDHWBXSA-N 1 3 268.788 2.245 10 0 CEAEHO C[C@@H](CNC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000194263473 370018904 /nfs/dbraw/zinc/01/89/04/370018904.db2.gz NRBWRVZUXADSBF-DOTOQJQBSA-N 1 3 276.424 2.227 10 0 CEAEHO Nc1cc(CN2CCCC2)cc(C[NH+]2CCCC2)c1 ZINC000216221829 370184789 /nfs/dbraw/zinc/18/47/89/370184789.db2.gz PZMIMKOVYATXQQ-UHFFFAOYSA-N 1 3 259.397 2.460 10 0 CEAEHO CCOc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261588179 371665327 /nfs/dbraw/zinc/66/53/27/371665327.db2.gz KAWQKENHNMRJPA-IMJJTQAJSA-N 1 3 260.381 2.254 10 0 CEAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(-n4cccn4)cc3)C[C@@H]12 ZINC000261601255 371673528 /nfs/dbraw/zinc/67/35/28/371673528.db2.gz BSCSHSJNURZPPY-USXIJHARSA-N 1 3 282.391 2.041 10 0 CEAEHO [NH3+]C[C@@H]1CN(CCOCC2CC2)C[C@H]1c1ccccc1 ZINC000261725172 371712888 /nfs/dbraw/zinc/71/28/88/371712888.db2.gz LMXILAKTKHKHTG-SJORKVTESA-N 1 3 274.408 2.087 10 0 CEAEHO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[C@H]1CN ZINC000250966938 189968288 /nfs/dbraw/zinc/96/82/88/189968288.db2.gz CLEXVVSCXPSZKM-ZLDLUXBVSA-N 1 3 250.361 2.474 10 0 CEAEHO CC(C)C[C@](C)(O)CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093461802 184677993 /nfs/dbraw/zinc/67/79/93/184677993.db2.gz CVSFLFUTQWNTNU-QXSJWSMHSA-N 1 3 268.445 2.294 10 0 CEAEHO CC[NH2+][C@H]1[C@@H](CN2CCN(C(C)C)CC2)CCC1(C)C ZINC000094316574 184779418 /nfs/dbraw/zinc/77/94/18/184779418.db2.gz BGOVSIZJUHZOCL-CVEARBPZSA-N 1 3 281.488 2.427 10 0 CEAEHO OC[C@H]1CCC[C@@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000089495842 135059432 /nfs/dbraw/zinc/05/94/32/135059432.db2.gz LYTJXPYFSLOKJY-HUUCEWRRSA-N 1 3 289.423 2.049 10 0 CEAEHO NC(=[NH2+])c1cc(Cl)ccc1N1CCN2CCCC[C@@H]2C1 ZINC000094439599 135087776 /nfs/dbraw/zinc/08/77/76/135087776.db2.gz JBYHRQVXBGCVLX-GFCCVEGCSA-N 1 3 292.814 2.299 10 0 CEAEHO [NH3+]CCCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000034501785 394493333 /nfs/dbraw/zinc/49/33/33/394493333.db2.gz QDSZTKVTBFVIQK-UHFFFAOYSA-N 1 3 267.804 2.201 10 0 CEAEHO C[C@H]1CCN(C2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000306791381 394517864 /nfs/dbraw/zinc/51/78/64/394517864.db2.gz XNEOXBOWOWJSRU-INIZCTEOSA-N 1 3 287.451 2.335 10 0 CEAEHO C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)C1CNC1 ZINC000422820188 394810564 /nfs/dbraw/zinc/81/05/64/394810564.db2.gz PJQNPWPJDPDZCH-PUSIOWJLSA-N 1 3 250.308 2.305 10 0 CEAEHO NCc1cccc(NC(=O)CCC[NH+]2CCCCC2)c1 ZINC000022173567 171369359 /nfs/dbraw/zinc/36/93/59/171369359.db2.gz OJZJJVRMSALWEE-UHFFFAOYSA-N 1 3 275.396 2.350 10 0 CEAEHO CCCN(CCC[NH3+])Cc1ccc(OC)c(OC)c1 ZINC000037299536 173103949 /nfs/dbraw/zinc/10/39/49/173103949.db2.gz QDSFIAXCIITQDS-UHFFFAOYSA-N 1 3 266.385 2.265 10 0 CEAEHO CCOC1CC[NH+]([C@@H]2C[C@H](C)CC[C@@H]2CN)CC1 ZINC000040678503 174374515 /nfs/dbraw/zinc/37/45/15/174374515.db2.gz PBGPIEAJBFVPHK-UMVBOHGHSA-N 1 3 254.418 2.251 10 0 CEAEHO CC[C@H](N)[C@@H](c1ccco1)N1CCC([NH+](C)C)CC1 ZINC000043335168 175011365 /nfs/dbraw/zinc/01/13/65/175011365.db2.gz PKEXNEJEJOWQTP-ZFWWWQNUSA-N 1 3 265.401 2.084 10 0 CEAEHO CC(C)CN(CCN(C)C)[C@@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043336301 175011697 /nfs/dbraw/zinc/01/16/97/175011697.db2.gz CXKKGUMYECFPAD-UKRRQHHQSA-N 1 3 267.417 2.188 10 0 CEAEHO CC[C@H]([NH3+])[C@H](c1ccncc1)N1CCN(C(C)(C)C)CC1 ZINC000043354133 175021308 /nfs/dbraw/zinc/02/13/08/175021308.db2.gz CGNHOZPHMHQCDI-HOTGVXAUSA-N 1 3 290.455 2.276 10 0 CEAEHO C[NH2+][C@H](c1ccccc1)[C@H](C)N(C)C1CCN(C)CC1 ZINC000043815177 175111953 /nfs/dbraw/zinc/11/19/53/175111953.db2.gz IQMZTSQJCNJAAH-YOEHRIQHSA-N 1 3 275.440 2.362 10 0 CEAEHO CC[NH2+][C@H](CC)[C@@H](C)N1CCN(C(C)(C)C)CC1 ZINC000043965616 175126905 /nfs/dbraw/zinc/12/69/05/175126905.db2.gz QKWZJMPWZXSHNJ-ZIAGYGMSSA-N 1 3 255.450 2.179 10 0 CEAEHO C[C@@H]([NH3+])C1CCN(C[C@@H]2OCCc3ccccc32)CC1 ZINC000071044425 176029793 /nfs/dbraw/zinc/02/97/93/176029793.db2.gz DASYRNPSUDRLRW-DYVFJYSZSA-N 1 3 274.408 2.360 10 0 CEAEHO CC[C@@H]1CCC[C@@](CN)([N@@H+]2CC[C@H](N3CCCC3)C2)C1 ZINC000071124821 176034805 /nfs/dbraw/zinc/03/48/05/176034805.db2.gz NNTOKWSDWXDTNB-IXDOHACOSA-N 1 3 279.472 2.454 10 0 CEAEHO CC[C@@H]1CCC[C@@](CN)([N@H+]2CC[C@H](N3CCCC3)C2)C1 ZINC000071124821 176034806 /nfs/dbraw/zinc/03/48/06/176034806.db2.gz NNTOKWSDWXDTNB-IXDOHACOSA-N 1 3 279.472 2.454 10 0 CEAEHO CC[C@H]1CCCC[C@@]1(CN)[NH+]1CCN(C2CC2)CC1 ZINC000071161857 176046012 /nfs/dbraw/zinc/04/60/12/176046012.db2.gz UBYOOEPWPAMBJI-HOCLYGCPSA-N 1 3 265.445 2.064 10 0 CEAEHO COc1ccc(C[C@@H](C)N2CCC[C@H](C[NH3+])C2)cc1 ZINC000071169806 176050495 /nfs/dbraw/zinc/05/04/95/176050495.db2.gz HLRSQXDGISWDAN-UKRRQHHQSA-N 1 3 262.397 2.297 10 0 CEAEHO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H](CN)C2)cc1 ZINC000071169806 176050497 /nfs/dbraw/zinc/05/04/97/176050497.db2.gz HLRSQXDGISWDAN-UKRRQHHQSA-N 1 3 262.397 2.297 10 0 CEAEHO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@H](CN)C2)cc1 ZINC000071169806 176050498 /nfs/dbraw/zinc/05/04/98/176050498.db2.gz HLRSQXDGISWDAN-UKRRQHHQSA-N 1 3 262.397 2.297 10 0 CEAEHO CN(C[C@@H]1CC[N@H+](C)C1)c1nc(CN)cc2ccccc21 ZINC000071191773 176071134 /nfs/dbraw/zinc/07/11/34/176071134.db2.gz LNAXSYNNPOOZIY-CYBMUJFWSA-N 1 3 284.407 2.081 10 0 CEAEHO CN(C[C@@H]1CC[N@@H+](C)C1)c1nc(CN)cc2ccccc21 ZINC000071191773 176071135 /nfs/dbraw/zinc/07/11/35/176071135.db2.gz LNAXSYNNPOOZIY-CYBMUJFWSA-N 1 3 284.407 2.081 10 0 CEAEHO CCOC(=O)CCCCC[NH2+]C[C@@H](C)CN1CCCC1 ZINC000071297371 176112796 /nfs/dbraw/zinc/11/27/96/176112796.db2.gz RVOTYHBIIBWUOX-OAHLLOKOSA-N 1 3 284.444 2.431 10 0 CEAEHO CCOC(=O)CCCCC[NH2+]CCCN1CCCC1 ZINC000071297375 176112818 /nfs/dbraw/zinc/11/28/18/176112818.db2.gz JCEINKUKYSHSRG-UHFFFAOYSA-N 1 3 270.417 2.185 10 0 CEAEHO [NH3+][C@@H](CCCN1CCN(C2CC2)CC1)c1ccccc1 ZINC000071401842 176153710 /nfs/dbraw/zinc/15/37/10/176153710.db2.gz GNHGFZDXOALMOW-KRWDZBQOSA-N 1 3 273.424 2.247 10 0 CEAEHO C[C@@H]1CN(CC2CC[NH+](C3CCC3)CC2)C[C@@H](C)O1 ZINC000178989466 288152479 /nfs/dbraw/zinc/15/24/79/288152479.db2.gz WTNIKCNSYRMUBN-ZIAGYGMSSA-N 1 3 266.429 2.360 10 0 CEAEHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCN1CCCCC1 ZINC000245437984 281199626 /nfs/dbraw/zinc/19/96/26/281199626.db2.gz RVVBDSTYCHGDGB-HOTGVXAUSA-N 1 3 265.445 2.031 10 0 CEAEHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1CCN1CCCCC1 ZINC000245437984 281199627 /nfs/dbraw/zinc/19/96/27/281199627.db2.gz RVVBDSTYCHGDGB-HOTGVXAUSA-N 1 3 265.445 2.031 10 0 CEAEHO C[C@@H]1C[C@@]2(CN)C[N@H+](Cc3ccccc3)CC[C@@H]2O1 ZINC000536961255 330384314 /nfs/dbraw/zinc/38/43/14/330384314.db2.gz WPMADSWDBYDZNZ-VNQPRFMTSA-N 1 3 260.381 2.015 10 0 CEAEHO C[C@@H]1C[C@@]2(CN)C[N@@H+](Cc3ccccc3)CC[C@@H]2O1 ZINC000536961255 330384315 /nfs/dbraw/zinc/38/43/15/330384315.db2.gz WPMADSWDBYDZNZ-VNQPRFMTSA-N 1 3 260.381 2.015 10 0 CEAEHO CC(C)CN1CCN(C2(C[NH3+])CCCCCC2)CC1 ZINC000055078515 519725780 /nfs/dbraw/zinc/72/57/80/519725780.db2.gz ZVEDMSSLHUDCKX-UHFFFAOYSA-N 1 3 267.461 2.312 10 0 CEAEHO CC(C)C[NH2+]C[C@@H](C(C)C)N(C)C1CCN(C)CC1 ZINC000052419755 519744313 /nfs/dbraw/zinc/74/43/13/519744313.db2.gz XUQVFZBCFTUFBQ-INIZCTEOSA-N 1 3 269.477 2.283 10 0 CEAEHO CCC[NH2+][C@H](C)CCN1CCN(CC(C)C)CC1 ZINC000055079404 520061274 /nfs/dbraw/zinc/06/12/74/520061274.db2.gz RRNPASPOMLBFFR-OAHLLOKOSA-N 1 3 255.450 2.038 10 0 CEAEHO CCCCC[NH2+]C[C@H](C)N1CCC[C@@H]1CN(C)C ZINC000061655149 520224218 /nfs/dbraw/zinc/22/42/18/520224218.db2.gz PGQPGRNTRYZJHF-LSDHHAIUSA-N 1 3 255.450 2.181 10 0 CEAEHO CCC[C@](C)(CNC)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052763310 521267568 /nfs/dbraw/zinc/26/75/68/521267568.db2.gz MRVUCFNKLCWGLA-HUUCEWRRSA-N 1 3 256.434 2.249 10 0 CEAEHO CCC[C@](C)(CNC)C[N@H+]1CCC[C@@H]1CCCO ZINC000052763310 521267573 /nfs/dbraw/zinc/26/75/73/521267573.db2.gz MRVUCFNKLCWGLA-HUUCEWRRSA-N 1 3 256.434 2.249 10 0 CEAEHO CC(C)CN1CCN([C@H](C[NH3+])c2cc(F)ccc2F)CC1 ZINC000055077893 519728072 /nfs/dbraw/zinc/72/80/72/519728072.db2.gz JGOHHQHGMRZURJ-MRXNPFEDSA-N 1 3 297.393 2.238 10 0 CEAEHO CC(C)CN1CCN([C@H]2CCCCC[C@H]2C[NH3+])CC1 ZINC000055077568 519728604 /nfs/dbraw/zinc/72/86/04/519728604.db2.gz CBBJEKZAXYQOER-HOTGVXAUSA-N 1 3 267.461 2.168 10 0 CEAEHO CCCC1CCN(CC2(C[NH3+])CCOCC2)CC1 ZINC000052182118 519900676 /nfs/dbraw/zinc/90/06/76/519900676.db2.gz LWNNQXBFCHIXCA-UHFFFAOYSA-N 1 3 254.418 2.254 10 0 CEAEHO CC[NH2+]C(C)(C)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000061292683 519906978 /nfs/dbraw/zinc/90/69/78/519906978.db2.gz NTKPTMQRXZNJCQ-UHFFFAOYSA-N 1 3 263.385 2.075 10 0 CEAEHO CCNCC1(C[N@H+](C)C[C@@H](C)CC)CCOCC1 ZINC000052181438 519911886 /nfs/dbraw/zinc/91/18/86/519911886.db2.gz ONJNPPQPNFQOGW-AWEZNQCLSA-N 1 3 256.434 2.371 10 0 CEAEHO CCNCC1(C[N@@H+](C)C[C@@H](C)CC)CCOCC1 ZINC000052181438 519911888 /nfs/dbraw/zinc/91/18/88/519911888.db2.gz ONJNPPQPNFQOGW-AWEZNQCLSA-N 1 3 256.434 2.371 10 0 CEAEHO CC[NH2+]CC1(CN(C)C[C@@H](C)CC)CCOCC1 ZINC000052181438 519911892 /nfs/dbraw/zinc/91/18/92/519911892.db2.gz ONJNPPQPNFQOGW-AWEZNQCLSA-N 1 3 256.434 2.371 10 0 CEAEHO CCC[NH2+]C[C@@H](CC)N(CCN(C)C)CC(C)C ZINC000052503277 519921006 /nfs/dbraw/zinc/92/10/06/519921006.db2.gz JLSXCQPHGHNMGP-OAHLLOKOSA-N 1 3 257.466 2.284 10 0 CEAEHO CCC[NH2+]Cc1cnc(N(C)[C@H]2CCCN(C)C2)s1 ZINC000054905571 519962671 /nfs/dbraw/zinc/96/26/71/519962671.db2.gz YCXZBMDUWMECEB-LBPRGKRZSA-N 1 3 282.457 2.173 10 0 CEAEHO CCC[NH2+][C@H]1CCC[C@@H]1N1CCN(CC(C)C)CC1 ZINC000055079369 520092853 /nfs/dbraw/zinc/09/28/53/520092853.db2.gz FMFMSAZNQCUGGJ-HOTGVXAUSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[NH2+][C@H](C)CC(=O)NCCCN(C)Cc1ccccc1 ZINC000061268943 520165484 /nfs/dbraw/zinc/16/54/84/520165484.db2.gz YCAPGLVLSVNXOL-OAHLLOKOSA-N 1 3 291.439 2.013 10 0 CEAEHO CC[NH2+][C@H]1CCCC[C@H]1N1CCN([C@@H](C)CC)CC1 ZINC000055065648 520213242 /nfs/dbraw/zinc/21/32/42/520213242.db2.gz XOTSMKBLSRCJND-HRCADAONSA-N 1 3 267.461 2.323 10 0 CEAEHO CCN(CC)C[C@H](O)C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000049182918 520738199 /nfs/dbraw/zinc/73/81/99/520738199.db2.gz TUYOIMVSOPTYKJ-QWHCGFSZSA-N 1 3 270.442 2.410 10 0 CEAEHO CCC[C@H](CN1CCN([C@@H](C)CC)CC1)[NH2+]CC ZINC000055065009 521100018 /nfs/dbraw/zinc/10/00/18/521100018.db2.gz KAEXALFUDBNREW-LSDHHAIUSA-N 1 3 255.450 2.181 10 0 CEAEHO CCN1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)CN2CCCC2)C1 ZINC000049150107 521650606 /nfs/dbraw/zinc/65/06/06/521650606.db2.gz WPGJYKOHHMZZFL-XHSDSOJGSA-N 1 3 267.461 2.181 10 0 CEAEHO CCOC1CCN(C[C@H]2CC[C@H](C[NH2+]CC(C)C)O2)CC1 ZINC000052484100 521656323 /nfs/dbraw/zinc/65/63/23/521656323.db2.gz SKUSPLCDQPEEAY-IAGOWNOFSA-N 1 3 298.471 2.281 10 0 CEAEHO CCCN(CCN(C)C)C[C@H](C)C[NH2+]CC(C)C ZINC000052544156 521656670 /nfs/dbraw/zinc/65/66/70/521656670.db2.gz LECLOKVIEAIJOA-OAHLLOKOSA-N 1 3 257.466 2.142 10 0 CEAEHO C[NH2+]CCC[C@@H](C)N1CCN(c2ccccc2F)CC1 ZINC000052374732 521997884 /nfs/dbraw/zinc/99/78/84/521997884.db2.gz GRTIJVYNUJSLSI-CQSZACIVSA-N 1 3 279.403 2.336 10 0 CEAEHO C[NH2+]Cc1ccc(CN2CCN(CC(C)C)CC2)cc1 ZINC000055082849 522117283 /nfs/dbraw/zinc/11/72/83/522117283.db2.gz SLQPWCSPAZFUQH-UHFFFAOYSA-N 1 3 275.440 2.180 10 0 CEAEHO CCc1nc(N2CCN(CC(C)C)CC2)sc1C[NH2+]C ZINC000055076617 522385814 /nfs/dbraw/zinc/38/58/14/522385814.db2.gz RADFXFNWIAQBRR-UHFFFAOYSA-N 1 3 296.484 2.203 10 0 CEAEHO CN1CCC([N@H+](C)[C@@H]2CCCc3ccccc3[C@@H]2N)CC1 ZINC000052684808 522415325 /nfs/dbraw/zinc/41/53/25/522415325.db2.gz KIYLZVNILKGMOU-MSOLQXFVSA-N 1 3 287.451 2.417 10 0 CEAEHO CN1CCC([N@@H+](C)[C@@H]2CCCc3ccccc3[C@@H]2N)CC1 ZINC000052684808 522415331 /nfs/dbraw/zinc/41/53/31/522415331.db2.gz KIYLZVNILKGMOU-MSOLQXFVSA-N 1 3 287.451 2.417 10 0 CEAEHO CC[C@@H](C[NH2+]C)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000061702404 522545644 /nfs/dbraw/zinc/54/56/44/522545644.db2.gz FLTNIKMIJKXCOU-HOTGVXAUSA-N 1 3 262.397 2.276 10 0 CEAEHO CC[C@@H]([C@H](N)c1ccccc1)[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061643463 523089006 /nfs/dbraw/zinc/08/90/06/523089006.db2.gz HIVDPBNUTJSOBG-IXDOHACOSA-N 1 3 275.440 2.491 10 0 CEAEHO CC[C@@H]([C@H](N)c1ccccc1)[N@H+]1CCC[C@@H]1CN(C)C ZINC000061643463 523089013 /nfs/dbraw/zinc/08/90/13/523089013.db2.gz HIVDPBNUTJSOBG-IXDOHACOSA-N 1 3 275.440 2.491 10 0 CEAEHO COCCCN(C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000062035511 523228565 /nfs/dbraw/zinc/22/85/65/523228565.db2.gz IXJSHOCCBASZGT-ILXRZTDVSA-N 1 3 256.434 2.354 10 0 CEAEHO COC(=O)C[C@H]1CCCCN1Cc1cc(F)ccc1C[NH3+] ZINC000069401740 523344291 /nfs/dbraw/zinc/34/42/91/523344291.db2.gz HPMKCPZTHYFORT-OAHLLOKOSA-N 1 3 294.370 2.202 10 0 CEAEHO CC[C@@H]1CC[C@@H]([NH2+]C)[C@H](N2CCC[C@@H]2CN(C)C)C1 ZINC000061643431 523353672 /nfs/dbraw/zinc/35/36/72/523353672.db2.gz LJLDEOGESVCHEI-KLHDSHLOSA-N 1 3 267.461 2.179 10 0 CEAEHO COCCN(C)CCn1ccc2c1CC(C)(C)C[C@@H]2[NH3+] ZINC000061380815 523618443 /nfs/dbraw/zinc/61/84/43/523618443.db2.gz KERRCHYEYKVBMN-AWEZNQCLSA-N 1 3 279.428 2.039 10 0 CEAEHO COCCN(CCOC)Cc1ccccc1C[NH2+]C(C)C ZINC000052571513 523718876 /nfs/dbraw/zinc/71/88/76/523718876.db2.gz FHNBSCBXRAANFH-UHFFFAOYSA-N 1 3 294.439 2.279 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C[NH3+])c2ccsc2)CC1 ZINC000055063649 523958437 /nfs/dbraw/zinc/95/84/37/523958437.db2.gz CLZQVZCDGXNQEP-JSGCOSHPSA-N 1 3 267.442 2.164 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](CC[NH3+])c2ccccc2)CC1 ZINC000055064245 523959377 /nfs/dbraw/zinc/95/93/77/523959377.db2.gz SINFHTCOKHQQDG-DOTOQJQBSA-N 1 3 275.440 2.493 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C[NH3+])c2ccc(C)o2)CC1 ZINC000055064070 523959432 /nfs/dbraw/zinc/95/94/32/523959432.db2.gz PQQYXDSCBQZTQE-GXTWGEPZSA-N 1 3 265.401 2.004 10 0 CEAEHO C[NH+](C)C1CCN(Cc2occc2CNC2CC2)CC1 ZINC000052477618 524040083 /nfs/dbraw/zinc/04/00/83/524040083.db2.gz CJZJAUFVXHMQPF-UHFFFAOYSA-N 1 3 277.412 2.058 10 0 CEAEHO CN(CCC[NH+](C)C)[C@H](CN)c1cccc2cccnc21 ZINC000069502840 524053484 /nfs/dbraw/zinc/05/34/84/524053484.db2.gz RSUYFMCGFDSKLP-MRXNPFEDSA-N 1 3 286.423 2.118 10 0 CEAEHO C[C@@H](C[NH2+]C(C)(C)C)N1CCN(C(C)(C)C)CC1 ZINC000052571578 524732915 /nfs/dbraw/zinc/73/29/15/524732915.db2.gz UCNNTOGYMIOKKW-ZDUSSCGKSA-N 1 3 255.450 2.179 10 0 CEAEHO C[C@H]([NH3+])c1cccc(NC(=O)N2CCC[C@H]2CN(C)C)c1 ZINC000061655766 524868804 /nfs/dbraw/zinc/86/88/04/524868804.db2.gz ZGSLDQKHMKKVFV-WFASDCNBSA-N 1 3 290.411 2.264 10 0 CEAEHO Cc1cc([C@H](C[NH3+])N2CCN(CC(C)C)CC2)ccc1F ZINC000055077957 525535507 /nfs/dbraw/zinc/53/55/07/525535507.db2.gz RQOUJLQDBZWRAX-KRWDZBQOSA-N 1 3 293.430 2.408 10 0 CEAEHO c1ccc2c(c1)CNCCN2CC[NH+]1CCCCC1 ZINC000062655559 526506420 /nfs/dbraw/zinc/50/64/20/526506420.db2.gz BCURGCGBKPEPBM-UHFFFAOYSA-N 1 3 259.397 2.082 10 0 CEAEHO NC(=[NH2+])c1cc(CN2CC[C@@H]3CCCC[C@@H]3C2)ccn1 ZINC000068761260 526819163 /nfs/dbraw/zinc/81/91/63/526819163.db2.gz NFXRYHSXWKVMEE-UONOGXRCSA-N 1 3 272.396 2.378 10 0 CEAEHO C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccc(F)cc21 ZINC000082509363 178076170 /nfs/dbraw/zinc/07/61/70/178076170.db2.gz MRSQURKIHMJTTH-CYBMUJFWSA-N 1 3 264.344 2.333 10 0 CEAEHO CCCN1CCN(C2(C[NH3+])C[C@H](C)C[C@H](C)C2)CC1 ZINC000084469791 178893508 /nfs/dbraw/zinc/89/35/08/178893508.db2.gz AHWICAUZKWSNRM-XYPWUTKMSA-N 1 3 267.461 2.168 10 0 CEAEHO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1CN1CCCC1 ZINC000085364728 179036207 /nfs/dbraw/zinc/03/62/07/179036207.db2.gz JGKTWKRVXSSTPH-LSDHHAIUSA-N 1 3 287.407 2.348 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(CC)C[N@@H+]1CCn1ccnc1C ZINC000085494598 179081759 /nfs/dbraw/zinc/08/17/59/179081759.db2.gz QGXFETNARZRIGE-CABCVRRESA-N 1 3 264.417 2.044 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(CC)C[N@H+]1CCn1ccnc1C ZINC000085494598 179081762 /nfs/dbraw/zinc/08/17/62/179081762.db2.gz QGXFETNARZRIGE-CABCVRRESA-N 1 3 264.417 2.044 10 0 CEAEHO CC[C@@]1(C)CNC(C)(C)C[N@@H+]1CCn1ccnc1C ZINC000085471204 179076664 /nfs/dbraw/zinc/07/66/64/179076664.db2.gz DMMVUYYRNVBJJO-HNNXBMFYSA-N 1 3 264.417 2.044 10 0 CEAEHO CC[C@@]1(C)CNC(C)(C)C[N@H+]1CCn1ccnc1C ZINC000085471204 179076665 /nfs/dbraw/zinc/07/66/65/179076665.db2.gz DMMVUYYRNVBJJO-HNNXBMFYSA-N 1 3 264.417 2.044 10 0 CEAEHO C[C@H]1CCN[C@H](C2CC2)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085626604 179106668 /nfs/dbraw/zinc/10/66/68/179106668.db2.gz RBUAJFVMVWFMNX-QEJZJMRPSA-N 1 3 252.402 2.018 10 0 CEAEHO C[C@H]1CCN[C@H](C2CC2)C[N@H+]1C[C@@H]1CCCCO1 ZINC000085626604 179106669 /nfs/dbraw/zinc/10/66/69/179106669.db2.gz RBUAJFVMVWFMNX-QEJZJMRPSA-N 1 3 252.402 2.018 10 0 CEAEHO Cc1nccn1CCN1C[C@H](CC(C)C)[NH2+]CC[C@@H]1C ZINC000085621888 179105436 /nfs/dbraw/zinc/10/54/36/179105436.db2.gz YJNGXFGGIFMZNH-HOCLYGCPSA-N 1 3 278.444 2.290 10 0 CEAEHO Cc1nccn1CC[N@H+]1C[C@H](CC(C)C)NCC[C@@H]1C ZINC000085621888 179105437 /nfs/dbraw/zinc/10/54/37/179105437.db2.gz YJNGXFGGIFMZNH-HOCLYGCPSA-N 1 3 278.444 2.290 10 0 CEAEHO Cc1nccn1CC[N@@H+]1C[C@H](CC(C)C)NCC[C@@H]1C ZINC000085621888 179105438 /nfs/dbraw/zinc/10/54/38/179105438.db2.gz YJNGXFGGIFMZNH-HOCLYGCPSA-N 1 3 278.444 2.290 10 0 CEAEHO CCCO[C@H]1CCCN([C@@](CC)(C[NH3+])C2CC2)C1 ZINC000086120433 179234931 /nfs/dbraw/zinc/23/49/31/179234931.db2.gz PGLVEFLRXLCQOV-GJZGRUSLSA-N 1 3 254.418 2.395 10 0 CEAEHO CC(C)[N@@H+]1CC[C@@H](CN2CCN[C@H](c3ccccc3)C2)C1 ZINC000086146567 179238709 /nfs/dbraw/zinc/23/87/09/179238709.db2.gz YWEIMYMTVOOWJV-WMZOPIPTSA-N 1 3 287.451 2.363 10 0 CEAEHO CC(C)[N@H+]1CC[C@@H](CN2CCN[C@H](c3ccccc3)C2)C1 ZINC000086146567 179238710 /nfs/dbraw/zinc/23/87/10/179238710.db2.gz YWEIMYMTVOOWJV-WMZOPIPTSA-N 1 3 287.451 2.363 10 0 CEAEHO CC(C)[C@@H]1C[N@H+](C[C@@H]2CCCCN2C)[C@H](C(C)C)CN1 ZINC000086173759 179244790 /nfs/dbraw/zinc/24/47/90/179244790.db2.gz CPGBFYFSCGXKOI-ULQDDVLXSA-N 1 3 281.488 2.425 10 0 CEAEHO CC(C)[C@@H]1C[N@@H+](C[C@@H]2CCCCN2C)[C@H](C(C)C)CN1 ZINC000086173759 179244792 /nfs/dbraw/zinc/24/47/92/179244792.db2.gz CPGBFYFSCGXKOI-ULQDDVLXSA-N 1 3 281.488 2.425 10 0 CEAEHO CC[NH+]1CCC(CN2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000086145727 179239265 /nfs/dbraw/zinc/23/92/65/179239265.db2.gz KGAZNWSCDHYSPJ-GOSISDBHSA-N 1 3 287.451 2.365 10 0 CEAEHO CC[C@H]1CNC(CC)(CC)C[N@@H+]1C1CCN(C)CC1 ZINC000086217802 179249302 /nfs/dbraw/zinc/24/93/02/179249302.db2.gz JHNGHMCSJDVUGL-AWEZNQCLSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@H]1CNC(CC)(CC)C[N@H+]1C1CCN(C)CC1 ZINC000086217802 179249304 /nfs/dbraw/zinc/24/93/04/179249304.db2.gz JHNGHMCSJDVUGL-AWEZNQCLSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@@H]1CNC2(CCCC2)C[N@@H+]1[C@@H]1CCCN(CC)C1 ZINC000086225420 179252917 /nfs/dbraw/zinc/25/29/17/179252917.db2.gz GZKWTPSKMUPNGJ-HZPDHXFCSA-N 1 3 279.472 2.467 10 0 CEAEHO CC[C@@H]1CNC2(CCCC2)C[N@H+]1[C@@H]1CCCN(CC)C1 ZINC000086225420 179252920 /nfs/dbraw/zinc/25/29/20/179252920.db2.gz GZKWTPSKMUPNGJ-HZPDHXFCSA-N 1 3 279.472 2.467 10 0 CEAEHO CCN1CCC[C@H](N2CC3(CCCCC3)[NH2+]C[C@@H]2C)C1 ZINC000086225398 179253005 /nfs/dbraw/zinc/25/30/05/179253005.db2.gz MRSMMEGWSYUMEU-HOTGVXAUSA-N 1 3 279.472 2.467 10 0 CEAEHO CC(C)[C@H]1CN[C@H](C2CC2)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259224 179258590 /nfs/dbraw/zinc/25/85/90/179258590.db2.gz OLRRCYQUADKSIX-HYVNUMGLSA-N 1 3 279.472 2.037 10 0 CEAEHO CC(C)[C@H]1CN[C@H](C2CC2)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259224 179258591 /nfs/dbraw/zinc/25/85/91/179258591.db2.gz OLRRCYQUADKSIX-HYVNUMGLSA-N 1 3 279.472 2.037 10 0 CEAEHO COC[C@@H](C)[N@@H+]1CCCN[C@H](C2CCCCC2)C1 ZINC000086269642 179262248 /nfs/dbraw/zinc/26/22/48/179262248.db2.gz MWXSBNLVXHMONW-HIFRSBDPSA-N 1 3 254.418 2.266 10 0 CEAEHO COC[C@@H](C)[N@H+]1CCCN[C@H](C2CCCCC2)C1 ZINC000086269642 179262251 /nfs/dbraw/zinc/26/22/51/179262251.db2.gz MWXSBNLVXHMONW-HIFRSBDPSA-N 1 3 254.418 2.266 10 0 CEAEHO CCC1(CC)CN([C@H](C)[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086287125 179264347 /nfs/dbraw/zinc/26/43/47/179264347.db2.gz RXFYWTXRWGXGSR-KGLIPLIRSA-N 1 3 254.418 2.408 10 0 CEAEHO CCC1(CC)C[N@@H+]([C@H](C)[C@@H]2CCCO2)CCCN1 ZINC000086287125 179264350 /nfs/dbraw/zinc/26/43/50/179264350.db2.gz RXFYWTXRWGXGSR-KGLIPLIRSA-N 1 3 254.418 2.408 10 0 CEAEHO CCC1(CC)C[N@H+]([C@H](C)[C@@H]2CCCO2)CCCN1 ZINC000086287125 179264351 /nfs/dbraw/zinc/26/43/51/179264351.db2.gz RXFYWTXRWGXGSR-KGLIPLIRSA-N 1 3 254.418 2.408 10 0 CEAEHO CC[C@@H]1C[N@H+](CC2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086259076 179256778 /nfs/dbraw/zinc/25/67/78/179256778.db2.gz NQPQAPLILGUWNL-CVEARBPZSA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@@H]1C[N@@H+](CC2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086259076 179256780 /nfs/dbraw/zinc/25/67/80/179256780.db2.gz NQPQAPLILGUWNL-CVEARBPZSA-N 1 3 267.461 2.037 10 0 CEAEHO CCC1(CC)CN(C[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000086292520 179266579 /nfs/dbraw/zinc/26/65/79/179266579.db2.gz SEFNFBOMMHFBNF-AWEZNQCLSA-N 1 3 254.418 2.267 10 0 CEAEHO [NH3+][C@H]1CC[C@@H](NCc2cccc(Br)c2)C1 ZINC000086399729 179285372 /nfs/dbraw/zinc/28/53/72/179285372.db2.gz ROIKHTZIIOOGLB-NWDGAFQWSA-N 1 3 269.186 2.419 10 0 CEAEHO C[C@@H]1CN([C@@H]2CCCN(Cc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000086466759 179297214 /nfs/dbraw/zinc/29/72/14/179297214.db2.gz UIDHHIIIXGQROD-SOLBZPMBSA-N 1 3 287.451 2.333 10 0 CEAEHO COc1ccc(C[NH2+]C[C@H]2CCN(C)C2)cc1Cl ZINC000086585496 179309825 /nfs/dbraw/zinc/30/98/25/179309825.db2.gz AHOHCJPLEOPUTR-GFCCVEGCSA-N 1 3 268.788 2.390 10 0 CEAEHO CN1CCC[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000086817225 179344865 /nfs/dbraw/zinc/34/48/65/179344865.db2.gz GRZHGVURSRMQLL-AWEZNQCLSA-N 1 3 276.380 2.032 10 0 CEAEHO CCCN1CCC[C@H]([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000086840342 179351597 /nfs/dbraw/zinc/35/15/97/179351597.db2.gz FQRDGFUMUBDEGL-HNNXBMFYSA-N 1 3 279.472 2.467 10 0 CEAEHO CCC[N@@H+]1CCC[C@H](N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000086843447 179353862 /nfs/dbraw/zinc/35/38/62/179353862.db2.gz FOXOXDGDZCRGGJ-LSDHHAIUSA-N 1 3 265.445 2.077 10 0 CEAEHO CCC[N@H+]1CCC[C@H](N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000086843447 179353864 /nfs/dbraw/zinc/35/38/64/179353864.db2.gz FOXOXDGDZCRGGJ-LSDHHAIUSA-N 1 3 265.445 2.077 10 0 CEAEHO CCC[N@@H+]1CCC[C@H](NCCOCC(F)(F)F)CC1 ZINC000086845188 179354586 /nfs/dbraw/zinc/35/45/86/179354586.db2.gz VAUPCHZIWCOFTD-LBPRGKRZSA-N 1 3 282.350 2.419 10 0 CEAEHO CCC[N@H+]1CCC[C@H](NCCOCC(F)(F)F)CC1 ZINC000086845188 179354587 /nfs/dbraw/zinc/35/45/87/179354587.db2.gz VAUPCHZIWCOFTD-LBPRGKRZSA-N 1 3 282.350 2.419 10 0 CEAEHO CCCN1CCC[C@H]([NH2+]CCOCC(F)(F)F)CC1 ZINC000086845188 179354589 /nfs/dbraw/zinc/35/45/89/179354589.db2.gz VAUPCHZIWCOFTD-LBPRGKRZSA-N 1 3 282.350 2.419 10 0 CEAEHO C[C@@H]1CCC[C@](CN)([N@H+](C)CCCN(C)C)CC1 ZINC000086891453 179365968 /nfs/dbraw/zinc/36/59/68/179365968.db2.gz WKLFHSKKJRSIFZ-CABCVRRESA-N 1 3 255.450 2.168 10 0 CEAEHO C[C@@H]1CCC[C@](CN)([N@@H+](C)CCCN(C)C)CC1 ZINC000086891453 179365969 /nfs/dbraw/zinc/36/59/69/179365969.db2.gz WKLFHSKKJRSIFZ-CABCVRRESA-N 1 3 255.450 2.168 10 0 CEAEHO CCCN(CCN(C)C)[C@H](C[NH3+])c1ccc(OC)c(F)c1 ZINC000086992006 179375404 /nfs/dbraw/zinc/37/54/04/179375404.db2.gz NBGJPGWWZBAGSY-OAHLLOKOSA-N 1 3 297.418 2.108 10 0 CEAEHO C[C@H](NC[C@@H]1CCCN1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400753363 233181406 /nfs/dbraw/zinc/18/14/06/233181406.db2.gz WGVJDUNCFSRJLO-SZMVWBNQSA-N 1 3 287.451 2.239 10 0 CEAEHO CCCN[C@H]1COC[C@@H]1C[NH2+]CC1(C)CCCC1 ZINC000090566999 180006501 /nfs/dbraw/zinc/00/65/01/180006501.db2.gz RZZORHQQTBMXJB-KBPBESRZSA-N 1 3 254.418 2.171 10 0 CEAEHO CCN(CC)C(=O)C[C@@H](C)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000090773159 180037964 /nfs/dbraw/zinc/03/79/64/180037964.db2.gz JPPGLVQJZLPJQS-HZPDHXFCSA-N 1 3 297.487 2.343 10 0 CEAEHO CCN(CC)C(=O)C[C@@H](C)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000090773159 180037967 /nfs/dbraw/zinc/03/79/67/180037967.db2.gz JPPGLVQJZLPJQS-HZPDHXFCSA-N 1 3 297.487 2.343 10 0 CEAEHO Cc1ccc2c(c1)C[C@@H](CN(CCC[NH3+])C(C)C)O2 ZINC000090896977 180057045 /nfs/dbraw/zinc/05/70/45/180057045.db2.gz LNZIEPNBPOBYAM-HNNXBMFYSA-N 1 3 262.397 2.358 10 0 CEAEHO [NH3+]CC1CCN(C[C@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000090900063 180058628 /nfs/dbraw/zinc/05/86/28/180058628.db2.gz VMJJWWONDWUZJW-CQSZACIVSA-N 1 3 280.799 2.314 10 0 CEAEHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2c[nH]c3ncccc23)C1 ZINC000091019732 180087888 /nfs/dbraw/zinc/08/78/88/180087888.db2.gz DUTBIGTUQHOLAZ-VXGBXAGGSA-N 1 3 258.369 2.122 10 0 CEAEHO C[C@@H]1CC[C@@H](C[NH3+])CN1Cc1c[nH]c2ncccc12 ZINC000091019759 180088093 /nfs/dbraw/zinc/08/80/93/180088093.db2.gz AIXBXWJPZJSOMR-NEPJUHHUSA-N 1 3 258.369 2.122 10 0 CEAEHO CN(Cc1ccc2ccccc2n1)CC1CC([NH3+])C1 ZINC000091477728 180165934 /nfs/dbraw/zinc/16/59/34/180165934.db2.gz WZLZLKONVUKUGZ-UHFFFAOYSA-N 1 3 255.365 2.404 10 0 CEAEHO CC[NH2+]CC1(CN(C)CC2CC(O)C2)CCC(C)CC1 ZINC000091499444 180173854 /nfs/dbraw/zinc/17/38/54/180173854.db2.gz YJKYDWIGCQDHNH-UHFFFAOYSA-N 1 3 282.472 2.495 10 0 CEAEHO CCNCC1(C[N@H+](C)CC2CC(O)C2)CCC(C)CC1 ZINC000091499444 180173855 /nfs/dbraw/zinc/17/38/55/180173855.db2.gz YJKYDWIGCQDHNH-UHFFFAOYSA-N 1 3 282.472 2.495 10 0 CEAEHO CCNCC1(C[N@@H+](C)CC2CC(O)C2)CCC(C)CC1 ZINC000091499444 180173857 /nfs/dbraw/zinc/17/38/57/180173857.db2.gz YJKYDWIGCQDHNH-UHFFFAOYSA-N 1 3 282.472 2.495 10 0 CEAEHO CC[C@@H]1CCC[C@](CN)([N@@H+]2CCC[C@H](N(C)C)C2)C1 ZINC000091393874 180145525 /nfs/dbraw/zinc/14/55/25/180145525.db2.gz WEMHLKKFOIESNN-PMPSAXMXSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@@H]1CCC[C@](CN)([N@H+]2CCC[C@H](N(C)C)C2)C1 ZINC000091393874 180145528 /nfs/dbraw/zinc/14/55/28/180145528.db2.gz WEMHLKKFOIESNN-PMPSAXMXSA-N 1 3 267.461 2.310 10 0 CEAEHO C[NH+](C)[C@H]1CCCN([C@@H](CN)c2cc3ccccc3o2)C1 ZINC000091395478 180146598 /nfs/dbraw/zinc/14/65/98/180146598.db2.gz QQPYPMOIDJMDEC-GJZGRUSLSA-N 1 3 287.407 2.459 10 0 CEAEHO CC[NH2+][C@@H](C)C(C)(C)CN1CCN(C)C(C)(C)C1 ZINC000091405126 180147249 /nfs/dbraw/zinc/14/72/49/180147249.db2.gz MXSVLKOZIMILKM-ZDUSSCGKSA-N 1 3 255.450 2.037 10 0 CEAEHO CN[C@H](Cc1ccnc(N)c1)C(C)(C)[NH+]1CCCCCC1 ZINC000091568147 180194905 /nfs/dbraw/zinc/19/49/05/180194905.db2.gz CALJTIMCOSPZNM-OAHLLOKOSA-N 1 3 290.455 2.449 10 0 CEAEHO CCc1cc(C[C@@H](N)CC[NH+](CC)CC)n(CC)n1 ZINC000091715847 180232908 /nfs/dbraw/zinc/23/29/08/180232908.db2.gz BXENYAKKSNJUEN-ZDUSSCGKSA-N 1 3 266.433 2.067 10 0 CEAEHO CCN[C@H](CC[NH+](CC)CC)Cc1cnn(CC)c1 ZINC000091716479 180232920 /nfs/dbraw/zinc/23/29/20/180232920.db2.gz VNGJQYJRDIKYMP-OAHLLOKOSA-N 1 3 266.433 2.156 10 0 CEAEHO CC[NH2+][C@H](CCN(CC)CC)Cc1cnn(CC)c1 ZINC000091716479 180232921 /nfs/dbraw/zinc/23/29/21/180232921.db2.gz VNGJQYJRDIKYMP-OAHLLOKOSA-N 1 3 266.433 2.156 10 0 CEAEHO CCCN(Cc1nccn1CC)C1CCC([NH3+])CC1 ZINC000091852627 180272773 /nfs/dbraw/zinc/27/27/73/180272773.db2.gz ITMYXOCQXXZMNQ-UHFFFAOYSA-N 1 3 264.417 2.385 10 0 CEAEHO CC[C@@H]([NH3+])c1ccn(C[C@@H]2CN(C(C)C)CCO2)c1 ZINC000091816428 180261708 /nfs/dbraw/zinc/26/17/08/180261708.db2.gz NMHRGXUJUSDFCY-HUUCEWRRSA-N 1 3 265.401 2.007 10 0 CEAEHO CC[C@H]([NH3+])c1ccn(C[C@H]2CN(C(C)C)CCO2)c1 ZINC000091816429 180262101 /nfs/dbraw/zinc/26/21/01/180262101.db2.gz NMHRGXUJUSDFCY-GJZGRUSLSA-N 1 3 265.401 2.007 10 0 CEAEHO Cc1ccc(F)cc1NC(=O)CN(C)C1CCC([NH3+])CC1 ZINC000091847191 180270392 /nfs/dbraw/zinc/27/03/92/180270392.db2.gz HCVVVHRLWAOSHW-UHFFFAOYSA-N 1 3 293.386 2.274 10 0 CEAEHO C[NH2+]C1CCC(N(C)[C@H]2COc3cc(O)ccc32)CC1 ZINC000091870945 180277184 /nfs/dbraw/zinc/27/71/84/180277184.db2.gz UYGWCGPPTWUGOF-QOZQQMKHSA-N 1 3 276.380 2.288 10 0 CEAEHO CCC(C)(C)NC(=O)[C@@H](C)N(C)C1CCC([NH2+]C)CC1 ZINC000091870684 180277334 /nfs/dbraw/zinc/27/73/34/180277334.db2.gz FEGSERYYOIPNBV-IYXRBSQSSA-N 1 3 283.460 2.142 10 0 CEAEHO CCN(CC)Cc1cccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)c1 ZINC000092203689 180343319 /nfs/dbraw/zinc/34/33/19/180343319.db2.gz YUWRYHRQMXUJTJ-GJZGRUSLSA-N 1 3 287.407 2.370 10 0 CEAEHO CC(C)[N@@H+]1CC[C@@H](CNC[C@@H]2COc3ccccc32)C1 ZINC000092300545 180358444 /nfs/dbraw/zinc/35/84/44/180358444.db2.gz UMEQQQYGCFNRTD-LSDHHAIUSA-N 1 3 274.408 2.483 10 0 CEAEHO CC(C)[N@H+]1CC[C@@H](CNC[C@@H]2COc3ccccc32)C1 ZINC000092300545 180358446 /nfs/dbraw/zinc/35/84/46/180358446.db2.gz UMEQQQYGCFNRTD-LSDHHAIUSA-N 1 3 274.408 2.483 10 0 CEAEHO CC(C)N1CC[C@@H](C[NH2+]C[C@@H]2COc3ccccc32)C1 ZINC000092300545 180358449 /nfs/dbraw/zinc/35/84/49/180358449.db2.gz UMEQQQYGCFNRTD-LSDHHAIUSA-N 1 3 274.408 2.483 10 0 CEAEHO CCCCC[C@@](C)(C[NH3+])N1CCN(CCC)CC1 ZINC000106025509 186098942 /nfs/dbraw/zinc/09/89/42/186098942.db2.gz NSAIOWDHSHIKRJ-HNNXBMFYSA-N 1 3 255.450 2.312 10 0 CEAEHO CCNc1ccnc(CN2CC[C@@H]([NH+](CC)CC)C2)c1 ZINC000092419133 180381915 /nfs/dbraw/zinc/38/19/15/180381915.db2.gz ULMGWOJFLLYQGF-MRXNPFEDSA-N 1 3 276.428 2.430 10 0 CEAEHO CCN(CC)CCc1noc([C@H]2CCCC[C@H]2[NH2+]C)n1 ZINC000109496223 186256891 /nfs/dbraw/zinc/25/68/91/186256891.db2.gz CYCTUQQOGHSABC-QWHCGFSZSA-N 1 3 280.416 2.200 10 0 CEAEHO Cc1cc(C)c(CN2CCN(C(C)(C)C[NH3+])CC2)c(C)c1 ZINC000109463729 186253737 /nfs/dbraw/zinc/25/37/37/186253737.db2.gz WGHGHJYCUUURRE-UHFFFAOYSA-N 1 3 289.467 2.467 10 0 CEAEHO CN(C[C@H]1CC[N@H+](C)C1)c1cccc(Cl)c1CN ZINC000110459597 186296876 /nfs/dbraw/zinc/29/68/76/186296876.db2.gz IOFFOPVWDWDOGK-NSHDSACASA-N 1 3 267.804 2.187 10 0 CEAEHO CN(C[C@H]1CC[N@@H+](C)C1)c1cccc(Cl)c1CN ZINC000110459597 186296878 /nfs/dbraw/zinc/29/68/78/186296878.db2.gz IOFFOPVWDWDOGK-NSHDSACASA-N 1 3 267.804 2.187 10 0 CEAEHO COc1ccc([C@@H](C)[NH3+])cc1CN1CCN(C)C(C)(C)C1 ZINC000110716951 186315421 /nfs/dbraw/zinc/31/54/21/186315421.db2.gz AEVBDDHLAKYACG-CYBMUJFWSA-N 1 3 291.439 2.241 10 0 CEAEHO CCC[NH2+][C@H]1CCCC[C@H]1N1CCN(C)C(C)(C)C1 ZINC000110717341 186315455 /nfs/dbraw/zinc/31/54/55/186315455.db2.gz JCRKTGOWYGNBMN-LSDHHAIUSA-N 1 3 267.461 2.323 10 0 CEAEHO CC(C)CC[C@@](C)(C[NH3+])N1CCN(C)C(C)(C)C1 ZINC000110711974 186316246 /nfs/dbraw/zinc/31/62/46/186316246.db2.gz WQQLLVVPASEGCT-HNNXBMFYSA-N 1 3 255.450 2.166 10 0 CEAEHO CC[C@H]1CN([C@@H](C[NH3+])[C@@H](C)c2ccccc2)CCN1C ZINC000110710276 186316761 /nfs/dbraw/zinc/31/67/61/186316761.db2.gz KKBVZETZPRBUNP-XIRDDKMYSA-N 1 3 275.440 2.143 10 0 CEAEHO CC[C@@H]1CN([C@@H](CC(N)=[NH2+])c2ccccc2)CCN1C ZINC000110722305 186318242 /nfs/dbraw/zinc/31/82/42/186318242.db2.gz VDBLWUKSICUDKZ-CABCVRRESA-N 1 3 274.412 2.080 10 0 CEAEHO CC[C@H]1CN(CC[NH2+]CCCC(C)C)CCN1C ZINC000110757485 186321748 /nfs/dbraw/zinc/32/17/48/186321748.db2.gz QRHYMDIBKAURDH-HNNXBMFYSA-N 1 3 255.450 2.038 10 0 CEAEHO CN(C)CCN(C)[C@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000111132400 186355914 /nfs/dbraw/zinc/35/59/14/186355914.db2.gz WEIUPKXGQAOUID-CYBMUJFWSA-N 1 3 290.238 2.487 10 0 CEAEHO Cc1cc(C)c([C@@H]([NH3+])CN(C)CCN(C)C)c(C)c1 ZINC000111134368 186356922 /nfs/dbraw/zinc/35/69/22/186356922.db2.gz JHGAKFZPCDFJBL-HNNXBMFYSA-N 1 3 263.429 2.105 10 0 CEAEHO Cc1ccc([C@@H](N)CN(C)CCC[NH+](C)C)c(C)c1 ZINC000111136273 186357342 /nfs/dbraw/zinc/35/73/42/186357342.db2.gz SXTGIYSHYXUFED-INIZCTEOSA-N 1 3 263.429 2.187 10 0 CEAEHO CCN[C@@H](CN(C)CC[NH+](C)C)c1ccccc1OCC ZINC000111134782 186357794 /nfs/dbraw/zinc/35/77/94/186357794.db2.gz HOYLRSFCDRBXBH-INIZCTEOSA-N 1 3 293.455 2.229 10 0 CEAEHO CC(C)[NH2+]C[C@@H](c1ccccc1)N(C)CCN(C)C ZINC000111149516 186358522 /nfs/dbraw/zinc/35/85/22/186358522.db2.gz HFKLDXXAAOFSCZ-INIZCTEOSA-N 1 3 263.429 2.219 10 0 CEAEHO CCNCc1cc(CN(C)CCC[NH+](C)C)oc1C ZINC000111150400 186359839 /nfs/dbraw/zinc/35/98/39/186359839.db2.gz XGGBTAGFCKJQFM-UHFFFAOYSA-N 1 3 267.417 2.081 10 0 CEAEHO CCCN(C[C@@]1(C[NH2+]CC)CCCOC1)C1CC1 ZINC000111324926 186398579 /nfs/dbraw/zinc/39/85/79/186398579.db2.gz DPKMHYWGDLUEBJ-HNNXBMFYSA-N 1 3 254.418 2.267 10 0 CEAEHO CCC[N@H+](C[C@@]1(CNCC)CCCOC1)C1CC1 ZINC000111324926 186398581 /nfs/dbraw/zinc/39/85/81/186398581.db2.gz DPKMHYWGDLUEBJ-HNNXBMFYSA-N 1 3 254.418 2.267 10 0 CEAEHO CCC[N@@H+](C[C@@]1(CNCC)CCCOC1)C1CC1 ZINC000111324926 186398582 /nfs/dbraw/zinc/39/85/82/186398582.db2.gz DPKMHYWGDLUEBJ-HNNXBMFYSA-N 1 3 254.418 2.267 10 0 CEAEHO CCC[N@H+](C[C@@]1(CNC2CC2)CCCOC1)C1CC1 ZINC000111324936 186398750 /nfs/dbraw/zinc/39/87/50/186398750.db2.gz XDCFJVVQHFCSFA-INIZCTEOSA-N 1 3 266.429 2.410 10 0 CEAEHO CCC[N@@H+](C[C@@]1(CNC2CC2)CCCOC1)C1CC1 ZINC000111324936 186398752 /nfs/dbraw/zinc/39/87/52/186398752.db2.gz XDCFJVVQHFCSFA-INIZCTEOSA-N 1 3 266.429 2.410 10 0 CEAEHO CCCN(C[C@@]1(C[NH2+]C2CC2)CCCOC1)C1CC1 ZINC000111324936 186398754 /nfs/dbraw/zinc/39/87/54/186398754.db2.gz XDCFJVVQHFCSFA-INIZCTEOSA-N 1 3 266.429 2.410 10 0 CEAEHO CCN1CCN([C@@H](C[NH3+])c2cccc(C)c2)C[C@@H]1C ZINC000111237341 186373216 /nfs/dbraw/zinc/37/32/16/186373216.db2.gz RCOZYUWGMZRFDU-HOCLYGCPSA-N 1 3 261.413 2.021 10 0 CEAEHO CCCN(CCN(C)C)c1ccc(C[C@@H](C)[NH3+])cc1 ZINC000111506650 186425289 /nfs/dbraw/zinc/42/52/89/186425289.db2.gz KHAORQHWIGJIEB-CQSZACIVSA-N 1 3 263.429 2.354 10 0 CEAEHO CC(C)[NH2+]C[C@@]1(CN2CCCCC2)CCCOC1 ZINC000111890762 186464159 /nfs/dbraw/zinc/46/41/59/186464159.db2.gz KGOQFPLKHNTIIO-OAHLLOKOSA-N 1 3 254.418 2.267 10 0 CEAEHO C[C@H]1C[C@@H]([NH2+]CCOCCN(C)C)CC(C)(C)C1 ZINC000226744919 291083411 /nfs/dbraw/zinc/08/34/11/291083411.db2.gz VAWCJRWVFROVEY-UONOGXRCSA-N 1 3 256.434 2.369 10 0 CEAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H](C)c2ccccn2)CC1 ZINC000177133447 189031506 /nfs/dbraw/zinc/03/15/06/189031506.db2.gz LNVQPTFSTBCBFP-CABCVRRESA-N 1 3 291.439 2.167 10 0 CEAEHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000251524598 299369276 /nfs/dbraw/zinc/36/92/76/299369276.db2.gz LPNNKQUCAIDMIL-WCFLWFBJSA-N 1 3 288.395 2.024 10 0 CEAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCN1CCCCC1 ZINC000175054902 368093715 /nfs/dbraw/zinc/09/37/15/368093715.db2.gz RVVBDSTYCHGDGB-HZPDHXFCSA-N 1 3 265.445 2.031 10 0 CEAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCN1CCCCC1 ZINC000175054902 368093718 /nfs/dbraw/zinc/09/37/18/368093718.db2.gz RVVBDSTYCHGDGB-HZPDHXFCSA-N 1 3 265.445 2.031 10 0 CEAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H](C)c2ccccn2)CC1 ZINC000246341882 370947619 /nfs/dbraw/zinc/94/76/19/370947619.db2.gz LNVQPTFSTBCBFP-HUUCEWRRSA-N 1 3 291.439 2.167 10 0 CEAEHO CN(CCC(=O)Nc1ccccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000231670190 370487142 /nfs/dbraw/zinc/48/71/42/370487142.db2.gz IXWOIHFAIPYBNF-CYBMUJFWSA-N 1 3 293.386 2.228 10 0 CEAEHO CC(C)(C)OC(=O)NC1CCC([NH+]2CCC(N)CC2)CC1 ZINC000253573577 371530588 /nfs/dbraw/zinc/53/05/88/371530588.db2.gz ROTKDDFFHGFDPE-UHFFFAOYSA-N 1 3 297.443 2.245 10 0 CEAEHO COc1ccc(C)cc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261590909 371667279 /nfs/dbraw/zinc/66/72/79/371667279.db2.gz LSJRUEXVVVLBGM-NWANDNLSSA-N 1 3 260.381 2.173 10 0 CEAEHO CCCN[C@H]1COC[C@@H]1C[NH2+]CC1C(C)(C)C1(C)C ZINC000092820032 184629283 /nfs/dbraw/zinc/62/92/83/184629283.db2.gz PASDDCNJHHDNSA-STQMWFEESA-N 1 3 268.445 2.273 10 0 CEAEHO C[C@H](N)c1cc(F)ccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091393430 135068371 /nfs/dbraw/zinc/06/83/71/135068371.db2.gz BDSZXBYGUQENAK-AAEUAGOBSA-N 1 3 265.376 2.376 10 0 CEAEHO CC(C)NCc1cccc(N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000091432343 135069941 /nfs/dbraw/zinc/06/99/41/135069941.db2.gz UFCMCKQMCMFONV-OAHLLOKOSA-N 1 3 276.428 2.110 10 0 CEAEHO [NH3+][C@H]1CC[C@@H](CN2CCN(c3ccccc3F)CC2)C1 ZINC000091539830 135071524 /nfs/dbraw/zinc/07/15/24/135071524.db2.gz SPXAQKBSWTWBAK-KGLIPLIRSA-N 1 3 277.387 2.075 10 0 CEAEHO C[C@H]1CN2CCCC[C@@H]2CN1c1ccc(CC[NH3+])cc1 ZINC000094444590 135088539 /nfs/dbraw/zinc/08/85/39/135088539.db2.gz LTIYQZSKTVJUQE-WMLDXEAASA-N 1 3 273.424 2.251 10 0 CEAEHO CC[NH+]1CCC(NCc2ccccc2-n2cccn2)CC1 ZINC000040495421 174294406 /nfs/dbraw/zinc/29/44/06/174294406.db2.gz ZUTSJQDWSRLWMV-UHFFFAOYSA-N 1 3 284.407 2.446 10 0 CEAEHO NC[C@H](c1ccccn1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693781 174377706 /nfs/dbraw/zinc/37/77/06/174377706.db2.gz VXWCBCPRFCBNOI-QGZVFWFLSA-N 1 3 288.439 2.032 10 0 CEAEHO C[C@@H]1CC[N@H+](CCCC(=O)Nc2ccccc2CN)C1 ZINC000040717010 174384171 /nfs/dbraw/zinc/38/41/71/174384171.db2.gz YSGSXQMYODZMRA-CYBMUJFWSA-N 1 3 275.396 2.206 10 0 CEAEHO C[C@@H]1CC[N@@H+](CCCC(=O)Nc2ccccc2CN)C1 ZINC000040717010 174384173 /nfs/dbraw/zinc/38/41/73/174384173.db2.gz YSGSXQMYODZMRA-CYBMUJFWSA-N 1 3 275.396 2.206 10 0 CEAEHO CC[NH2+][C@@H]1c2ccccc2C[C@H]1N1CCN(C(C)C)CC1 ZINC000043897099 175119903 /nfs/dbraw/zinc/11/99/03/175119903.db2.gz BUPOFDHILCMXER-QZTJIDSGSA-N 1 3 287.451 2.288 10 0 CEAEHO CC[NH2+][C@H](CN1CCN(CC2CC2)CC1)c1ccccc1 ZINC000043967917 175128975 /nfs/dbraw/zinc/12/89/75/175128975.db2.gz MYKGHMNXPIORHC-GOSISDBHSA-N 1 3 287.451 2.365 10 0 CEAEHO C[NH2+]C[C@H]1CCN([C@@H](C)CCc2ccc(O)cc2)C1 ZINC000071141942 176040127 /nfs/dbraw/zinc/04/01/27/176040127.db2.gz WDSFHQFVRIGGBC-DZGCQCFKSA-N 1 3 262.397 2.255 10 0 CEAEHO CC[C@H]1CCC[C@H](N(CCOC)CCC(N)=[NH2+])C1 ZINC000071149876 176045316 /nfs/dbraw/zinc/04/53/16/176045316.db2.gz KCLXJUHSDJZLQS-STQMWFEESA-N 1 3 255.406 2.230 10 0 CEAEHO CC[C@H]1CCCC[C@]1(C[NH3+])N1CCN(C)C(C)(C)C1 ZINC000071162262 176046555 /nfs/dbraw/zinc/04/65/55/176046555.db2.gz ACZRNAHRAHNJOE-GOEBONIOSA-N 1 3 267.461 2.310 10 0 CEAEHO C[C@H]1CC(C)(C)C[C@](CN)([N@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071188585 176063925 /nfs/dbraw/zinc/06/39/25/176063925.db2.gz WNXOOXYZJWDQHR-ZMSDIMECSA-N 1 3 281.488 2.414 10 0 CEAEHO C[C@H]1CC(C)(C)C[C@](CN)([N@@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071188585 176063926 /nfs/dbraw/zinc/06/39/26/176063926.db2.gz WNXOOXYZJWDQHR-ZMSDIMECSA-N 1 3 281.488 2.414 10 0 CEAEHO C[C@H](CNc1ccccc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192183 176073055 /nfs/dbraw/zinc/07/30/55/176073055.db2.gz OASFJAVELCVBDM-HUUCEWRRSA-N 1 3 261.413 2.371 10 0 CEAEHO C[C@H](CNc1ccccc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192183 176073057 /nfs/dbraw/zinc/07/30/57/176073057.db2.gz OASFJAVELCVBDM-HUUCEWRRSA-N 1 3 261.413 2.371 10 0 CEAEHO CCOC(=O)CCCCC[N@@H+]1C[C@@H](CN)CC[C@@H]1C ZINC000071297826 176112474 /nfs/dbraw/zinc/11/24/74/176112474.db2.gz PMEDHKODPJJQTN-UONOGXRCSA-N 1 3 270.417 2.169 10 0 CEAEHO CCOC(=O)CCCCC[N@H+]1C[C@@H](CN)CC[C@@H]1C ZINC000071297826 176112475 /nfs/dbraw/zinc/11/24/75/176112475.db2.gz PMEDHKODPJJQTN-UONOGXRCSA-N 1 3 270.417 2.169 10 0 CEAEHO CCN([C@@H]1CC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000071312125 176118984 /nfs/dbraw/zinc/11/89/84/176118984.db2.gz BTHXMQFSFMIGIH-GOSISDBHSA-N 1 3 287.451 2.335 10 0 CEAEHO CC[C@@H]1C[N@H+](CCn2ccnc2C)[C@@](C)(C2CC2)CN1 ZINC000071345622 176132155 /nfs/dbraw/zinc/13/21/55/176132155.db2.gz DUKNPDOFRNBWKH-HZPDHXFCSA-N 1 3 276.428 2.044 10 0 CEAEHO CC[C@@H]1C[N@@H+](CCn2ccnc2C)[C@@](C)(C2CC2)CN1 ZINC000071345622 176132156 /nfs/dbraw/zinc/13/21/56/176132156.db2.gz DUKNPDOFRNBWKH-HZPDHXFCSA-N 1 3 276.428 2.044 10 0 CEAEHO Cc1cc(N2CC3CC2(C[NH3+])C3)c2ccccc2n1 ZINC000656611890 415787239 /nfs/dbraw/zinc/78/72/39/415787239.db2.gz NREPAKUNQVIFNJ-UHFFFAOYSA-N 1 3 253.349 2.471 10 0 CEAEHO CCC[C@H](C(=O)NCCC[NH+](C(C)C)C(C)C)N(C)C ZINC000126753921 279841511 /nfs/dbraw/zinc/84/15/11/279841511.db2.gz NXKOFFXYLCGSTR-OAHLLOKOSA-N 1 3 285.476 2.342 10 0 CEAEHO CCC[C@H](C(=O)NCCCCC[NH+]1CCCCC1)N(C)C ZINC000155037761 289162995 /nfs/dbraw/zinc/16/29/95/289162995.db2.gz UXCXVTCXTSCZBF-MRXNPFEDSA-N 1 3 297.487 2.489 10 0 CEAEHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000365707600 289309832 /nfs/dbraw/zinc/30/98/32/289309832.db2.gz HKQQCAVATUGUIE-ZQNQSHIBSA-N 1 3 266.429 2.262 10 0 CEAEHO C[C@H]([NH2+][C@@H](CCO)C1CCCCC1)[C@H]1CCCNC1 ZINC000568748947 313975586 /nfs/dbraw/zinc/97/55/86/313975586.db2.gz PRYZCIQFPRRLLS-BPUTZDHNSA-N 1 3 268.445 2.295 10 0 CEAEHO C[C@H](CCOCc1ccccc1)[NH2+]C1CCNCC1 ZINC000389957633 321892808 /nfs/dbraw/zinc/89/28/08/321892808.db2.gz XTAWFISKWCFGGY-CQSZACIVSA-N 1 3 262.397 2.323 10 0 CEAEHO CC(C)[NH2+]Cc1cnc(N(C)[C@H]2CCCN(C)C2)s1 ZINC000054905574 519728295 /nfs/dbraw/zinc/72/82/95/519728295.db2.gz DULWJPLHPKNVJR-LBPRGKRZSA-N 1 3 282.457 2.172 10 0 CEAEHO CC(C)C[NH2+]C[C@@H](C(C)C)N1CCC[C@@H]1CN(C)C ZINC000061654679 519744330 /nfs/dbraw/zinc/74/43/30/519744330.db2.gz AAJFHRBKGGOVSI-CVEARBPZSA-N 1 3 269.477 2.283 10 0 CEAEHO CC[NH2+]C[C@@H]1CC[C@@H](CN(C)Cc2ccccc2)O1 ZINC000052417528 519952017 /nfs/dbraw/zinc/95/20/17/519952017.db2.gz XVANIWHLFFYMTB-HOTGVXAUSA-N 1 3 262.397 2.276 10 0 CEAEHO CC[NH2+]Cc1ccccc1CN(CCOC)C1CC1 ZINC000052542540 520006497 /nfs/dbraw/zinc/00/64/97/520006497.db2.gz HWEZKGJRMJAKNW-UHFFFAOYSA-N 1 3 262.397 2.407 10 0 CEAEHO CCO[C@@H](C[NH3+])CCN(C)Cc1ccccc1F ZINC000062740901 520306599 /nfs/dbraw/zinc/30/65/99/520306599.db2.gz DNMWJEMPKSAJGT-CYBMUJFWSA-N 1 3 254.349 2.011 10 0 CEAEHO C[NH+](C)C[C@@H]1CCCN1c1ccc(Cl)cc1CN ZINC000061641577 521842922 /nfs/dbraw/zinc/84/29/22/521842922.db2.gz YZDYCSIOCYUQIC-ZDUSSCGKSA-N 1 3 267.804 2.329 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000055072501 522125051 /nfs/dbraw/zinc/12/50/51/522125051.db2.gz YSQOFTTZKANLOX-PMPSAXMXSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](C)C[NH2+]CC(C)C)CC1 ZINC000055074117 522130123 /nfs/dbraw/zinc/13/01/23/522130123.db2.gz BFKQCUJEGPXBNM-CABCVRRESA-N 1 3 255.450 2.037 10 0 CEAEHO C[C@H](NCCc1cc(F)cc(F)c1)[C@@H]1CC[NH2+]C1 ZINC000400409605 533867350 /nfs/dbraw/zinc/86/73/50/533867350.db2.gz STJIYMIWMMTOAC-CMPLNLGQSA-N 1 3 254.324 2.095 10 0 CEAEHO C1C[NH2+][C@@H]([C@@H]2CCCN([C@@H]3CCCSC3)C2)C1 ZINC000061590655 518580092 /nfs/dbraw/zinc/58/00/92/518580092.db2.gz KVAOPPYOWDZIGK-MGPQQGTHSA-N 1 3 254.443 2.346 10 0 CEAEHO CC(C)(C)N1CCN([C@H](C[NH3+])C2CCCCC2)CC1 ZINC000048927098 518712715 /nfs/dbraw/zinc/71/27/15/518712715.db2.gz VBWPFKQAGMKYIE-OAHLLOKOSA-N 1 3 267.461 2.310 10 0 CEAEHO CC(C)[NH2+]C[C@@H]1CC[C@@H](CN(C)CCc2ccccn2)O1 ZINC000052423978 519723597 /nfs/dbraw/zinc/72/35/97/519723597.db2.gz AZTUILDTVROBRO-IRXDYDNUSA-N 1 3 291.439 2.102 10 0 CEAEHO CC(C)CN1CCN(CCC[NH2+]C2CCCC2)CC1 ZINC000055075707 519725666 /nfs/dbraw/zinc/72/56/66/519725666.db2.gz FGJSJEVKULAOIF-UHFFFAOYSA-N 1 3 267.461 2.182 10 0 CEAEHO CC(C)CN1CCN(Cc2cc(C[NH3+])ccc2F)CC1 ZINC000055077710 519726995 /nfs/dbraw/zinc/72/69/95/519726995.db2.gz DADAQOVPLGBHGC-UHFFFAOYSA-N 1 3 279.403 2.058 10 0 CEAEHO CC(C)CN1CCN([C@@H](c2ccccc2F)[C@H](C)[NH3+])CC1 ZINC000055077400 519727662 /nfs/dbraw/zinc/72/76/62/519727662.db2.gz WIFHVSVJEVCZAG-WMLDXEAASA-N 1 3 293.430 2.488 10 0 CEAEHO CC(C)[NH2+]Cc1ccccc1CN1CCN(C2CC2)CC1 ZINC000052371420 519727749 /nfs/dbraw/zinc/72/77/49/519727749.db2.gz DUINUFCFQLDBDR-UHFFFAOYSA-N 1 3 287.451 2.465 10 0 CEAEHO CC(C)CN1CCN(c2ccc(C[NH2+]C3CC3)cn2)CC1 ZINC000055082490 519728512 /nfs/dbraw/zinc/72/85/12/519728512.db2.gz AIPQNZVZGFBYND-UHFFFAOYSA-N 1 3 288.439 2.112 10 0 CEAEHO CC(C)C[NH2+]C[C@@H]1CC[C@@H](CN(C)C[C@@H]2CCCCO2)O1 ZINC000052507667 519744827 /nfs/dbraw/zinc/74/48/27/519744827.db2.gz DJFNAIBBOZQNMP-ULQDDVLXSA-N 1 3 298.471 2.281 10 0 CEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050943332 519775208 /nfs/dbraw/zinc/77/52/08/519775208.db2.gz WZEWCSBCJOAWQJ-CABCVRRESA-N 1 3 283.460 2.001 10 0 CEAEHO CCCN1CCN([C@H](C[NH3+])c2ccc(F)cc2C)CC1 ZINC000050578223 519859650 /nfs/dbraw/zinc/85/96/50/519859650.db2.gz LNEADZNDOCFUGI-MRXNPFEDSA-N 1 3 279.403 2.162 10 0 CEAEHO CCC[NH2+]CC1(CN(CC)C2CC2)CCOCC1 ZINC000052181254 519909750 /nfs/dbraw/zinc/90/97/50/519909750.db2.gz WUNOELKJYHYIJT-UHFFFAOYSA-N 1 3 254.418 2.267 10 0 CEAEHO CCC[NH2+]CC1(CN2CC[C@@H](O)C2)CCCCC1 ZINC000061711760 519910896 /nfs/dbraw/zinc/91/08/96/519910896.db2.gz NQMDKBDSFXGIED-CQSZACIVSA-N 1 3 254.418 2.003 10 0 CEAEHO CCC[NH2+]CC[C@H](C)N1CCN([C@H](C)CC)CC1 ZINC000055074854 519919197 /nfs/dbraw/zinc/91/91/97/519919197.db2.gz TZRZAYRFJRNWDQ-CABCVRRESA-N 1 3 255.450 2.181 10 0 CEAEHO CCC[NH2+]C[C@H](C)CN(CCOC)[C@@H](C)C1CC1 ZINC000052545308 519931074 /nfs/dbraw/zinc/93/10/74/519931074.db2.gz PODXPSUUXGPNCQ-KBPBESRZSA-N 1 3 256.434 2.369 10 0 CEAEHO CC[NH2+]C[C@@H](C(C)C)N1CCN([C@H](C)CC)CC1 ZINC000055074814 519931231 /nfs/dbraw/zinc/93/12/31/519931231.db2.gz ORGUSVYNTSNMCA-CABCVRRESA-N 1 3 255.450 2.037 10 0 CEAEHO CCC[NH2+]C[C@]1(CN(CC)CC2CC2)CCOC1 ZINC000069239878 519940903 /nfs/dbraw/zinc/94/09/03/519940903.db2.gz FMLXGHGIBCSKAG-HNNXBMFYSA-N 1 3 254.418 2.125 10 0 CEAEHO CCCNC[C@]1(C[N@H+](CC)CC2CC2)CCOC1 ZINC000069239878 519940912 /nfs/dbraw/zinc/94/09/12/519940912.db2.gz FMLXGHGIBCSKAG-HNNXBMFYSA-N 1 3 254.418 2.125 10 0 CEAEHO CCCNC[C@]1(C[N@@H+](CC)CC2CC2)CCOC1 ZINC000069239878 519940917 /nfs/dbraw/zinc/94/09/17/519940917.db2.gz FMLXGHGIBCSKAG-HNNXBMFYSA-N 1 3 254.418 2.125 10 0 CEAEHO CC[NH2+]C[C@@H](c1ccccc1)N1CCN(CC2CC2)CC1 ZINC000052372535 519949065 /nfs/dbraw/zinc/94/90/65/519949065.db2.gz QNPPVVKUBPSURW-SFHVURJKSA-N 1 3 287.451 2.365 10 0 CEAEHO CCCNCc1cccc(N2CCC[C@@H]2C[NH+](C)C)n1 ZINC000061654317 519955137 /nfs/dbraw/zinc/95/51/37/519955137.db2.gz BKMPQXKOMXPGRF-OAHLLOKOSA-N 1 3 276.428 2.112 10 0 CEAEHO CCC[NH2+][C@@H](CC)[C@H](C)N1CCC[C@@H]1CN(C)C ZINC000061643752 519992340 /nfs/dbraw/zinc/99/23/40/519992340.db2.gz GIMMUVWKKFRQKZ-ZNMIVQPWSA-N 1 3 255.450 2.179 10 0 CEAEHO CCC[NH2+][C@H](CC)[C@H](C)N1CCN(CC(C)C)CC1 ZINC000055079381 520069515 /nfs/dbraw/zinc/06/95/15/520069515.db2.gz UPPURYPUDNTFNC-JKSUJKDBSA-N 1 3 269.477 2.427 10 0 CEAEHO CCC[C@@H](C)[C@@H](C[NH3+])N1CCN(CC(C)C)CC1 ZINC000055078070 520668437 /nfs/dbraw/zinc/66/84/37/520668437.db2.gz PGUNHWJMSPAJNV-HUUCEWRRSA-N 1 3 255.450 2.024 10 0 CEAEHO CCC[C@@H](CN1CCN(CC(C)C)CC1)[NH2+]CC ZINC000055078654 520704700 /nfs/dbraw/zinc/70/47/00/520704700.db2.gz BYFBJTKHEJXATG-HNNXBMFYSA-N 1 3 255.450 2.038 10 0 CEAEHO CCC[C@](C)(C[NH2+]C)CN(C)CCN1CCCC1 ZINC000063053508 521267315 /nfs/dbraw/zinc/26/73/15/521267315.db2.gz GFXXXDMQUFBPOD-OAHLLOKOSA-N 1 3 255.450 2.040 10 0 CEAEHO CCN1CCC[C@H]([C@@H](C)[NH2+][C@@H](CN(C)C)C(C)C)C1 ZINC000049197546 521650468 /nfs/dbraw/zinc/65/04/68/521650468.db2.gz STCJJRUJZANUKC-PMPSAXMXSA-N 1 3 269.477 2.283 10 0 CEAEHO CCOC1CCN(Cc2cc(C[NH2+]C)c(C)o2)CC1 ZINC000052483989 521655959 /nfs/dbraw/zinc/65/59/59/521655959.db2.gz PPBPSCIJRUXNER-UHFFFAOYSA-N 1 3 266.385 2.308 10 0 CEAEHO C[NH2+]CCC[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000052417328 521999915 /nfs/dbraw/zinc/99/99/15/521999915.db2.gz JGOVVFVPJZDKGZ-HNNXBMFYSA-N 1 3 261.413 2.197 10 0 CEAEHO C[NH2+]Cc1cc(CN(C)[C@H]2CCSC2)c(C)o1 ZINC000052453617 522104168 /nfs/dbraw/zinc/10/41/68/522104168.db2.gz KGXFNGMIYGBZFR-LBPRGKRZSA-N 1 3 254.399 2.245 10 0 CEAEHO C[NH+](C)[C@H]1CCN(c2cccc(CNC(C)(C)C)n2)C1 ZINC000062971189 522105247 /nfs/dbraw/zinc/10/52/47/522105247.db2.gz OBRDCFOOKSUUAC-AWEZNQCLSA-N 1 3 276.428 2.110 10 0 CEAEHO CC[C@@H](C)N1CCN(CC[NH2+]Cc2ccccc2)CC1 ZINC000055075405 522121940 /nfs/dbraw/zinc/12/19/40/522121940.db2.gz GKPITRNJPZIQMX-MRXNPFEDSA-N 1 3 275.440 2.192 10 0 CEAEHO C[NH2+]Cc1cccc(CN2CCN(CC(C)C)CC2)c1 ZINC000055082723 522128770 /nfs/dbraw/zinc/12/87/70/522128770.db2.gz SOIKGCFBPGDWEV-UHFFFAOYSA-N 1 3 275.440 2.180 10 0 CEAEHO C[NH2+][C@@H](CCN1CCC[C@@H]1CCCO)C(C)(C)C ZINC000054046677 522343369 /nfs/dbraw/zinc/34/33/69/522343369.db2.gz PLNVKUIHVORBNQ-KGLIPLIRSA-N 1 3 256.434 2.248 10 0 CEAEHO C[NH2+][C@@H]1CCCCC[C@@H]1CN(CCO)C1CCCC1 ZINC000053875303 522377204 /nfs/dbraw/zinc/37/72/04/522377204.db2.gz VUBSBSQHHWOEDL-GDBMZVCRSA-N 1 3 268.445 2.392 10 0 CEAEHO CN(CCN1CCC[NH2+]CC1)Cc1ccc(Cl)cc1 ZINC000061275216 522831469 /nfs/dbraw/zinc/83/14/69/522831469.db2.gz LXRVPKLRGGEUGE-UHFFFAOYSA-N 1 3 281.831 2.067 10 0 CEAEHO COCCN(CC(C)C)C[C@H](C)C[NH2+]CC(C)C ZINC000052508469 523679018 /nfs/dbraw/zinc/67/90/18/523679018.db2.gz YJSGLIVAKOIYOR-OAHLLOKOSA-N 1 3 258.450 2.473 10 0 CEAEHO COCCN(CCOC)Cc1ccc(C[NH2+]C(C)C)cc1 ZINC000052571475 523718648 /nfs/dbraw/zinc/71/86/48/523718648.db2.gz RRDMQQVFWLEVPS-UHFFFAOYSA-N 1 3 294.439 2.279 10 0 CEAEHO C[NH+]1CCC(CNC2=NC3(CCCC3)CS2)CC1 ZINC000053066889 523764445 /nfs/dbraw/zinc/76/44/45/523764445.db2.gz UMCGTWCMPRACJJ-UHFFFAOYSA-N 1 3 267.442 2.333 10 0 CEAEHO c1ccc2c(c1)CNC[C@H]2N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000069267451 526508998 /nfs/dbraw/zinc/50/89/98/526508998.db2.gz NZXBAYQMYDUYCT-FUHWJXTLSA-N 1 3 285.435 2.391 10 0 CEAEHO Cc1nc(N(C)C2CCN(C)CC2)sc1[C@H](C)[NH3+] ZINC000054864012 526949884 /nfs/dbraw/zinc/94/98/84/526949884.db2.gz NQUDOVWVLAZOES-VIFPVBQESA-N 1 3 268.430 2.002 10 0 CEAEHO CC(C)[C@@H]1N[C@@]2(CCC[N@H+](C)CC2)OCC1(C)C ZINC000757142704 574510333 /nfs/dbraw/zinc/51/03/33/574510333.db2.gz DGASPWYKVFWDAY-ZFWWWQNUSA-N 1 3 254.418 2.469 10 0 CEAEHO CC(C)[C@@H]1N[C@@]2(CCC[N@@H+](C)CC2)OCC1(C)C ZINC000757142704 574510334 /nfs/dbraw/zinc/51/03/34/574510334.db2.gz DGASPWYKVFWDAY-ZFWWWQNUSA-N 1 3 254.418 2.469 10 0 CEAEHO CC(C)[C@@H]1[NH2+][C@@]2(CCCN(C)CC2)OCC1(C)C ZINC000757142704 574510335 /nfs/dbraw/zinc/51/03/35/574510335.db2.gz DGASPWYKVFWDAY-ZFWWWQNUSA-N 1 3 254.418 2.469 10 0 CEAEHO CC(C)CN1CCC2(CC1)[NH2+]CC(C)(C)[C@@H](C)O2 ZINC000757146016 574510401 /nfs/dbraw/zinc/51/04/01/574510401.db2.gz JEJLZRPPPFKNCS-CYBMUJFWSA-N 1 3 254.418 2.469 10 0 CEAEHO CCCN1CCN(c2ccccc2[C@H](C)[NH2+]C)CC1 ZINC000034663805 534936299 /nfs/dbraw/zinc/93/62/99/534936299.db2.gz PVFQQXYDPXULJW-AWEZNQCLSA-N 1 3 261.413 2.499 10 0 CEAEHO CN(C)Cc1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000054307359 362525308 /nfs/dbraw/zinc/52/53/08/362525308.db2.gz UNBAELQMMAUMNY-AWEZNQCLSA-N 1 3 275.396 2.076 10 0 CEAEHO CC[C@H](C)N1CCN(CCC2([NH3+])CCCC2)CC1 ZINC000084188843 178821890 /nfs/dbraw/zinc/82/18/90/178821890.db2.gz UAMKJMDEZBRUQG-AWEZNQCLSA-N 1 3 253.434 2.064 10 0 CEAEHO Cc1nccn1CC[N@@H+]1C[C@@](C)(C2CC2)NC[C@@H]1C1CC1 ZINC000085513637 179086298 /nfs/dbraw/zinc/08/62/98/179086298.db2.gz FKMUTVBWLYUBOR-SJORKVTESA-N 1 3 288.439 2.044 10 0 CEAEHO Cc1nccn1CC[N@H+]1C[C@@](C)(C2CC2)NC[C@@H]1C1CC1 ZINC000085513637 179086300 /nfs/dbraw/zinc/08/63/00/179086300.db2.gz FKMUTVBWLYUBOR-SJORKVTESA-N 1 3 288.439 2.044 10 0 CEAEHO CC[C@H]1CN[C@](C)(CC)C[N@@H+]1CCn1ccnc1C ZINC000085494604 179082393 /nfs/dbraw/zinc/08/23/93/179082393.db2.gz QGXFETNARZRIGE-LSDHHAIUSA-N 1 3 264.417 2.044 10 0 CEAEHO CC[C@H]1CN[C@](C)(CC)C[N@H+]1CCn1ccnc1C ZINC000085494604 179082395 /nfs/dbraw/zinc/08/23/95/179082395.db2.gz QGXFETNARZRIGE-LSDHHAIUSA-N 1 3 264.417 2.044 10 0 CEAEHO CC[C@]1(C)CN(CCCOCC(F)(F)F)CCC[NH2+]1 ZINC000085617110 179104544 /nfs/dbraw/zinc/10/45/44/179104544.db2.gz IMHXMZSMKMFICC-GFCCVEGCSA-N 1 3 282.350 2.419 10 0 CEAEHO CC[C@]1(C)C[N@H+](CCCOCC(F)(F)F)CCCN1 ZINC000085617110 179104545 /nfs/dbraw/zinc/10/45/45/179104545.db2.gz IMHXMZSMKMFICC-GFCCVEGCSA-N 1 3 282.350 2.419 10 0 CEAEHO CC[C@]1(C)C[N@@H+](CCCOCC(F)(F)F)CCCN1 ZINC000085617110 179104548 /nfs/dbraw/zinc/10/45/48/179104548.db2.gz IMHXMZSMKMFICC-GFCCVEGCSA-N 1 3 282.350 2.419 10 0 CEAEHO C[C@H]1CCN[C@H](Cc2ccccc2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085618879 179104655 /nfs/dbraw/zinc/10/46/55/179104655.db2.gz APFZFYCHXYRLII-JQHSSLGASA-N 1 3 288.435 2.461 10 0 CEAEHO C[C@H]1CCN[C@H](Cc2ccccc2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085618879 179104658 /nfs/dbraw/zinc/10/46/58/179104658.db2.gz APFZFYCHXYRLII-JQHSSLGASA-N 1 3 288.435 2.461 10 0 CEAEHO CC[C@H]1CN[C@H](C(C)C)C[N@@H+]1C[C@@H]1CCCCN1C ZINC000086173734 179244685 /nfs/dbraw/zinc/24/46/85/179244685.db2.gz SNJHGDNDPGEULX-JYJNAYRXSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1CN[C@H](C(C)C)C[N@H+]1C[C@@H]1CCCCN1C ZINC000086173734 179244687 /nfs/dbraw/zinc/24/46/87/179244687.db2.gz SNJHGDNDPGEULX-JYJNAYRXSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1C[NH2+][C@H](C(C)C)CN1C[C@@H]1CCCCN1C ZINC000086173734 179244689 /nfs/dbraw/zinc/24/46/89/179244689.db2.gz SNJHGDNDPGEULX-JYJNAYRXSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1CNC2(CCCC2)C[N@@H+]1C1CCN(C)CC1 ZINC000086217848 179249477 /nfs/dbraw/zinc/24/94/77/179249477.db2.gz IAILPRMEEUTWHK-AWEZNQCLSA-N 1 3 265.445 2.077 10 0 CEAEHO CC[C@H]1CNC2(CCCC2)C[N@H+]1C1CCN(C)CC1 ZINC000086217848 179249480 /nfs/dbraw/zinc/24/94/80/179249480.db2.gz IAILPRMEEUTWHK-AWEZNQCLSA-N 1 3 265.445 2.077 10 0 CEAEHO CC[C@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223103 179250412 /nfs/dbraw/zinc/25/04/12/179250412.db2.gz OKKXXQPCBDAVJH-QLFBSQMISA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@H]1CN[C@@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223103 179250413 /nfs/dbraw/zinc/25/04/13/179250413.db2.gz OKKXXQPCBDAVJH-QLFBSQMISA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCN(CC)C1 ZINC000086223013 179250456 /nfs/dbraw/zinc/25/04/56/179250456.db2.gz AWFHLZPDJFJBRU-PMPSAXMXSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@H]1CN[C@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCN(CC)C1 ZINC000086223013 179250458 /nfs/dbraw/zinc/25/04/58/179250458.db2.gz AWFHLZPDJFJBRU-PMPSAXMXSA-N 1 3 281.488 2.427 10 0 CEAEHO CCN1CC[C@H](C[N@@H+]2CC(C)(C)NC[C@@H]2C(C)C)C1 ZINC000086223022 179250689 /nfs/dbraw/zinc/25/06/89/179250689.db2.gz BJRDWAXKBJZAIU-LSDHHAIUSA-N 1 3 267.461 2.037 10 0 CEAEHO CCN1CC[C@H](C[N@H+]2CC(C)(C)NC[C@@H]2C(C)C)C1 ZINC000086223022 179250690 /nfs/dbraw/zinc/25/06/90/179250690.db2.gz BJRDWAXKBJZAIU-LSDHHAIUSA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCN(CC)C1 ZINC000086223014 179251164 /nfs/dbraw/zinc/25/11/64/179251164.db2.gz AWFHLZPDJFJBRU-BZUAXINKSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@@H]1CN[C@@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCN(CC)C1 ZINC000086223014 179251165 /nfs/dbraw/zinc/25/11/65/179251165.db2.gz AWFHLZPDJFJBRU-BZUAXINKSA-N 1 3 281.488 2.427 10 0 CEAEHO CCC1(CC)C[N@H+](C[C@@H]2CCN(C)C2)[C@H](C(C)C)CN1 ZINC000086223166 179252106 /nfs/dbraw/zinc/25/21/06/179252106.db2.gz CQBDGRSKPSVKBM-CVEARBPZSA-N 1 3 281.488 2.427 10 0 CEAEHO CCC1(CC)C[N@@H+](C[C@@H]2CCN(C)C2)[C@H](C(C)C)CN1 ZINC000086223166 179252108 /nfs/dbraw/zinc/25/21/08/179252108.db2.gz CQBDGRSKPSVKBM-CVEARBPZSA-N 1 3 281.488 2.427 10 0 CEAEHO CCCN1CCC([N@@H+]2C[C@H](C3CC3)NC[C@@H]2CC)CC1 ZINC000086227300 179254481 /nfs/dbraw/zinc/25/44/81/179254481.db2.gz BSFRKSSJVZUNPH-DOTOQJQBSA-N 1 3 279.472 2.323 10 0 CEAEHO CCCN1CCC([N@H+]2C[C@H](C3CC3)NC[C@@H]2CC)CC1 ZINC000086227300 179254483 /nfs/dbraw/zinc/25/44/83/179254483.db2.gz BSFRKSSJVZUNPH-DOTOQJQBSA-N 1 3 279.472 2.323 10 0 CEAEHO CCN1CCC[C@@H]([N@@H+]2CCCN[C@H](C(C)(C)C)C2)C1 ZINC000086289428 179264980 /nfs/dbraw/zinc/26/49/80/179264980.db2.gz XVIAUSSJDHVKEP-CABCVRRESA-N 1 3 267.461 2.181 10 0 CEAEHO CCN1CCC[C@@H]([N@H+]2CCCN[C@H](C(C)(C)C)C2)C1 ZINC000086289428 179264982 /nfs/dbraw/zinc/26/49/82/179264982.db2.gz XVIAUSSJDHVKEP-CABCVRRESA-N 1 3 267.461 2.181 10 0 CEAEHO CCN1CCC[C@@H](N2CCC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC000086289428 179264983 /nfs/dbraw/zinc/26/49/83/179264983.db2.gz XVIAUSSJDHVKEP-CABCVRRESA-N 1 3 267.461 2.181 10 0 CEAEHO CCC[C@H]1C[N@H+]([C@@H](C)CCN(C)C)[C@H](C(C)C)CN1 ZINC000086255955 179257068 /nfs/dbraw/zinc/25/70/68/179257068.db2.gz RLRQRMIFBSWRHJ-JYJNAYRXSA-N 1 3 269.477 2.425 10 0 CEAEHO CCC[C@H]1C[N@@H+]([C@@H](C)CCN(C)C)[C@H](C(C)C)CN1 ZINC000086255955 179257070 /nfs/dbraw/zinc/25/70/70/179257070.db2.gz RLRQRMIFBSWRHJ-JYJNAYRXSA-N 1 3 269.477 2.425 10 0 CEAEHO CCOC[C@H](C)N1CCC[NH2+]C2(CCCCC2)C1 ZINC000086292005 179266772 /nfs/dbraw/zinc/26/67/72/179266772.db2.gz XOXMKNRUIUHVQR-AWEZNQCLSA-N 1 3 254.418 2.410 10 0 CEAEHO CCOC[C@H](C)[N@@H+]1CCCNC2(CCCCC2)C1 ZINC000086292005 179266773 /nfs/dbraw/zinc/26/67/73/179266773.db2.gz XOXMKNRUIUHVQR-AWEZNQCLSA-N 1 3 254.418 2.410 10 0 CEAEHO CCOC[C@H](C)[N@H+]1CCCNC2(CCCCC2)C1 ZINC000086292005 179266775 /nfs/dbraw/zinc/26/67/75/179266775.db2.gz XOXMKNRUIUHVQR-AWEZNQCLSA-N 1 3 254.418 2.410 10 0 CEAEHO COc1ccc(C[NH2+]C[C@@H]2CCN(C)C2)cc1Cl ZINC000086585497 179309948 /nfs/dbraw/zinc/30/99/48/179309948.db2.gz AHOHCJPLEOPUTR-LBPRGKRZSA-N 1 3 268.788 2.390 10 0 CEAEHO CC(C)N1CCC[C@@H]([NH2+][C@@H](C)Cn2ccnc2)CC1 ZINC000086840504 179352614 /nfs/dbraw/zinc/35/26/14/179352614.db2.gz WFWLECVRFUAXRL-LSDHHAIUSA-N 1 3 264.417 2.124 10 0 CEAEHO CCN1CCC[C@H]([NH2+][C@@H](CN(C)C)C(C)C)CC1 ZINC000086842886 179353609 /nfs/dbraw/zinc/35/36/09/179353609.db2.gz RSXBFVPUYUKWRK-GJZGRUSLSA-N 1 3 255.450 2.037 10 0 CEAEHO CCN1CCC[C@@](CN)([N@H+](C)C2CCCCC2)CC1 ZINC000086846329 179354337 /nfs/dbraw/zinc/35/43/37/179354337.db2.gz HSHCUAPNERQYIZ-MRXNPFEDSA-N 1 3 267.461 2.454 10 0 CEAEHO CCN1CCC[C@@](CN)([N@@H+](C)C2CCCCC2)CC1 ZINC000086846329 179354338 /nfs/dbraw/zinc/35/43/38/179354338.db2.gz HSHCUAPNERQYIZ-MRXNPFEDSA-N 1 3 267.461 2.454 10 0 CEAEHO CCC[N@@H+]1CCC[C@@H](NCCCC(=O)OCC)CC1 ZINC000086845747 179355639 /nfs/dbraw/zinc/35/56/39/179355639.db2.gz PJHKRZOVWRMSON-CQSZACIVSA-N 1 3 270.417 2.184 10 0 CEAEHO CCC[N@H+]1CCC[C@@H](NCCCC(=O)OCC)CC1 ZINC000086845747 179355640 /nfs/dbraw/zinc/35/56/40/179355640.db2.gz PJHKRZOVWRMSON-CQSZACIVSA-N 1 3 270.417 2.184 10 0 CEAEHO CCCN1CCC[C@@H]([NH2+]CCCC(=O)OCC)CC1 ZINC000086845747 179355641 /nfs/dbraw/zinc/35/56/41/179355641.db2.gz PJHKRZOVWRMSON-CQSZACIVSA-N 1 3 270.417 2.184 10 0 CEAEHO CCN1CCC[C@](CN)([N@@H+]2CCCC(C)(C)C2)CC1 ZINC000086848887 179358017 /nfs/dbraw/zinc/35/80/17/179358017.db2.gz IGHBEORIHQRFML-INIZCTEOSA-N 1 3 267.461 2.312 10 0 CEAEHO CCN1CCC[C@](CN)([N@H+]2CCCC(C)(C)C2)CC1 ZINC000086848887 179358021 /nfs/dbraw/zinc/35/80/21/179358021.db2.gz IGHBEORIHQRFML-INIZCTEOSA-N 1 3 267.461 2.312 10 0 CEAEHO C[C@@H]1CCC[C@](CN)([N@@H+]2CCC[C@@H]2CN(C)C)CC1 ZINC000086891311 179366260 /nfs/dbraw/zinc/36/62/60/179366260.db2.gz OCXUTLUPSKDHCL-OAGGEKHMSA-N 1 3 267.461 2.310 10 0 CEAEHO C[C@@H]1CCC[C@](CN)([N@H+]2CCC[C@@H]2CN(C)C)CC1 ZINC000086891311 179366262 /nfs/dbraw/zinc/36/62/62/179366262.db2.gz OCXUTLUPSKDHCL-OAGGEKHMSA-N 1 3 267.461 2.310 10 0 CEAEHO C[C@H](N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400414590 233178288 /nfs/dbraw/zinc/17/82/88/233178288.db2.gz VADMUNJMIUQYEA-UOVPBQLFSA-N 1 3 287.451 2.237 10 0 CEAEHO C[C@H](NC[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400753361 233181254 /nfs/dbraw/zinc/18/12/54/233181254.db2.gz WGVJDUNCFSRJLO-JQHSSLGASA-N 1 3 287.451 2.239 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[N@H+](C)Cc1ccccc1C ZINC000090566294 180005625 /nfs/dbraw/zinc/00/56/25/180005625.db2.gz VLNSRHMWYOIWKJ-IAGOWNOFSA-N 1 3 276.424 2.441 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[N@@H+](C)Cc1ccccc1C ZINC000090566294 180005627 /nfs/dbraw/zinc/00/56/27/180005627.db2.gz VLNSRHMWYOIWKJ-IAGOWNOFSA-N 1 3 276.424 2.441 10 0 CEAEHO C[NH2+][C@@H](C)C1CCN(C[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090878936 180052849 /nfs/dbraw/zinc/05/28/49/180052849.db2.gz XFAGXBIRFXFDNF-BLLLJJGKSA-N 1 3 292.398 2.449 10 0 CEAEHO Cc1ccc2c(c1)C[C@H](CNCC(C)(C)C[NH+](C)C)O2 ZINC000090897124 180057453 /nfs/dbraw/zinc/05/74/53/180057453.db2.gz JFITVVIHOOGUOX-OAHLLOKOSA-N 1 3 276.424 2.476 10 0 CEAEHO Cc1ccc2c(c1)C[C@@H](C[NH2+]C[C@H]1CCN(C3CC3)C1)O2 ZINC000090897477 180057525 /nfs/dbraw/zinc/05/75/25/180057525.db2.gz RKUPLMGRVSBCJK-PBHICJAKSA-N 1 3 286.419 2.372 10 0 CEAEHO Cc1ccc2c(c1)C[C@@H](CNC[C@H]1CC[N@@H+](C3CC3)C1)O2 ZINC000090897477 180057527 /nfs/dbraw/zinc/05/75/27/180057527.db2.gz RKUPLMGRVSBCJK-PBHICJAKSA-N 1 3 286.419 2.372 10 0 CEAEHO Cc1ccc2c(c1)C[C@@H](CNC[C@H]1CC[N@H+](C3CC3)C1)O2 ZINC000090897477 180057528 /nfs/dbraw/zinc/05/75/28/180057528.db2.gz RKUPLMGRVSBCJK-PBHICJAKSA-N 1 3 286.419 2.372 10 0 CEAEHO CC[N@H+](C[C@H]1Cc2cc(C)ccc2O1)C1CCNCC1 ZINC000090900040 180058969 /nfs/dbraw/zinc/05/89/69/180058969.db2.gz SBEHAPYMBZNSSL-MRXNPFEDSA-N 1 3 274.408 2.372 10 0 CEAEHO CC[N@@H+](C[C@H]1Cc2cc(C)ccc2O1)C1CCNCC1 ZINC000090900040 180058972 /nfs/dbraw/zinc/05/89/72/180058972.db2.gz SBEHAPYMBZNSSL-MRXNPFEDSA-N 1 3 274.408 2.372 10 0 CEAEHO Cc1ccc2c(c1)C[C@H](CN(C)[C@@H]1CCC[C@@H]1C[NH3+])O2 ZINC000090900311 180059220 /nfs/dbraw/zinc/05/92/20/180059220.db2.gz MVPBEQNNYFORNQ-FVQBIDKESA-N 1 3 274.408 2.358 10 0 CEAEHO CCCn1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000091012212 180086464 /nfs/dbraw/zinc/08/64/64/180086464.db2.gz PIWCZEXZFOLLLO-HNNXBMFYSA-N 1 3 261.413 2.472 10 0 CEAEHO C[NH2+]CCC1CCN(Cc2cncn2C(C)C)CC1 ZINC000091273063 180118171 /nfs/dbraw/zinc/11/81/71/180118171.db2.gz AWXUUVGTRBMBPS-UHFFFAOYSA-N 1 3 264.417 2.286 10 0 CEAEHO C[NH+](C)[C@@H]1CCCN(c2nc(C3CC3)c(CN)s2)C1 ZINC000091429165 180152839 /nfs/dbraw/zinc/15/28/39/180152839.db2.gz DTLNHGJHCSUKFE-LLVKDONJSA-N 1 3 280.441 2.010 10 0 CEAEHO CCNC[C@](C)(C[N@H+](C)CC1CC(O)C1)c1ccccc1 ZINC000091490347 180170294 /nfs/dbraw/zinc/17/02/94/180170294.db2.gz VZGGMGWFGJHFNK-VMWRSERWSA-N 1 3 290.451 2.257 10 0 CEAEHO CCNC[C@](C)(C[N@@H+](C)CC1CC(O)C1)c1ccccc1 ZINC000091490347 180170296 /nfs/dbraw/zinc/17/02/96/180170296.db2.gz VZGGMGWFGJHFNK-VMWRSERWSA-N 1 3 290.451 2.257 10 0 CEAEHO CC(C)C[NH2+]CC[C@@](C)(O)[C@H]1NCCc2ccccc21 ZINC000091502885 180175228 /nfs/dbraw/zinc/17/52/28/180175228.db2.gz FRZQLRHBESJHID-DLBZAZTESA-N 1 3 276.424 2.260 10 0 CEAEHO CC[NH2+][C@H]1CCCCC[C@H]1CN(C)CC1CC(O)C1 ZINC000091499465 180173941 /nfs/dbraw/zinc/17/39/41/180173941.db2.gz HYNOZFBERFDQPV-GRAKBVBRSA-N 1 3 268.445 2.248 10 0 CEAEHO CC[NH2+][C@H](CCN(C)CC1CC(O)C1)C(C)(C)C ZINC000091499037 180173949 /nfs/dbraw/zinc/17/39/49/180173949.db2.gz DLZVCQAXIPOVAN-JXQTWKCFSA-N 1 3 256.434 2.103 10 0 CEAEHO CN(C)[C@@H]1CCCN(C(=O)CC[C@H](CC[NH3+])C(C)(C)C)C1 ZINC000091393714 180145602 /nfs/dbraw/zinc/14/56/02/180145602.db2.gz IEFBYBIYTPJYLN-HUUCEWRRSA-N 1 3 297.487 2.330 10 0 CEAEHO CC[NH2+][C@H](C)C(C)(C)CN1CCCC[C@@H]1CCO ZINC000091402633 180147217 /nfs/dbraw/zinc/14/72/17/180147217.db2.gz VSVRGEWYQPGCMX-ZIAGYGMSSA-N 1 3 256.434 2.248 10 0 CEAEHO CC[C@@](C)([C@@H]([NH3+])Cc1ccnc(N)c1)N1CCCCC1 ZINC000091609003 180205020 /nfs/dbraw/zinc/20/50/20/180205020.db2.gz BEHQXPMGCVWSFK-HOCLYGCPSA-N 1 3 276.428 2.188 10 0 CEAEHO COc1cccc(C[C@@H]([NH3+])C(C)(C)N2CCCC2)c1 ZINC000091534072 180181680 /nfs/dbraw/zinc/18/16/80/180181680.db2.gz VCARLHWRXVPJFN-OAHLLOKOSA-N 1 3 262.397 2.439 10 0 CEAEHO CCC(CC)([C@H](Cc1cccnc1N)NC)[NH+]1CCCC1 ZINC000091635137 180210785 /nfs/dbraw/zinc/21/07/85/180210785.db2.gz PKPHVKPSEDCMIQ-HNNXBMFYSA-N 1 3 290.455 2.449 10 0 CEAEHO CCc1cc(C[C@H](CC[NH+](CC)CC)NC)n(CC)n1 ZINC000091716191 180232633 /nfs/dbraw/zinc/23/26/33/180232633.db2.gz DKOQHXNCQUOZLD-HNNXBMFYSA-N 1 3 280.460 2.328 10 0 CEAEHO CCc1cc(C[C@H](CCN(CC)CC)[NH2+]C)n(CC)n1 ZINC000091716191 180232634 /nfs/dbraw/zinc/23/26/34/180232634.db2.gz DKOQHXNCQUOZLD-HNNXBMFYSA-N 1 3 280.460 2.328 10 0 CEAEHO CCC[NH2+][C@H](CCN(CC)CC)Cc1cnn(C)c1 ZINC000091716799 180232641 /nfs/dbraw/zinc/23/26/41/180232641.db2.gz PMMOKKUSCUSPEN-OAHLLOKOSA-N 1 3 266.433 2.063 10 0 CEAEHO CCCN[C@H](CC[NH+](CC)CC)Cc1cnn(C)c1 ZINC000091716799 180232644 /nfs/dbraw/zinc/23/26/44/180232644.db2.gz PMMOKKUSCUSPEN-OAHLLOKOSA-N 1 3 266.433 2.063 10 0 CEAEHO C[C@@H](C(=O)Nc1ccccc1C[NH3+])N1C[C@H](C)[C@H](C)C1 ZINC000092082161 180319370 /nfs/dbraw/zinc/31/93/70/180319370.db2.gz YMJCCWNNVNZKDL-XQQFMLRXSA-N 1 3 275.396 2.060 10 0 CEAEHO COc1ccc(CN2C[C@H](C)[C@H](C)C2)cc1C(N)=[NH2+] ZINC000092085692 180320621 /nfs/dbraw/zinc/32/06/21/180320621.db2.gz IDFXQGIENBWYBY-PHIMTYICSA-N 1 3 261.369 2.067 10 0 CEAEHO Nc1ccnc(CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000092418299 180381479 /nfs/dbraw/zinc/38/14/79/180381479.db2.gz CTIMLBOMVQOWDU-UHFFFAOYSA-N 1 3 274.412 2.114 10 0 CEAEHO Nc1cc[nH+]c(CN2CCc3ccccc3CC2)c1 ZINC000092419344 180382045 /nfs/dbraw/zinc/38/20/45/180382045.db2.gz TYMPZNVCVLKBNZ-UHFFFAOYSA-N 1 3 253.349 2.265 10 0 CEAEHO COc1cc2c(cc1F)nc(N)n2C1CC[NH+](C)CC1 ZINC000110629575 186307419 /nfs/dbraw/zinc/30/74/19/186307419.db2.gz KERIWGUMSTZOFL-UHFFFAOYSA-N 1 3 278.331 2.033 10 0 CEAEHO CC[N@@H+]1CC[C@H](Cn2c(N)nc3cc(F)c(OC)cc32)C1 ZINC000110629656 186307461 /nfs/dbraw/zinc/30/74/61/186307461.db2.gz SYDFNHBPXXBVCX-JTQLQIEISA-N 1 3 292.358 2.108 10 0 CEAEHO CC[N@H+]1CC[C@H](Cn2c(N)nc3cc(F)c(OC)cc32)C1 ZINC000110629656 186307463 /nfs/dbraw/zinc/30/74/63/186307463.db2.gz SYDFNHBPXXBVCX-JTQLQIEISA-N 1 3 292.358 2.108 10 0 CEAEHO COc1cc2c(cc1F)nc(N)n2C[C@H]1CCC[N@H+](C)C1 ZINC000110629939 186307778 /nfs/dbraw/zinc/30/77/78/186307778.db2.gz UCPFKJSVXOABTO-JTQLQIEISA-N 1 3 292.358 2.108 10 0 CEAEHO COc1cc2c(cc1F)nc(N)n2C[C@H]1CCC[N@@H+](C)C1 ZINC000110629939 186307780 /nfs/dbraw/zinc/30/77/80/186307780.db2.gz UCPFKJSVXOABTO-JTQLQIEISA-N 1 3 292.358 2.108 10 0 CEAEHO CCn1cc([C@@H](C)N2CCC([C@@H](C)[NH3+])CC2)cn1 ZINC000110645687 186308831 /nfs/dbraw/zinc/30/88/31/186308831.db2.gz LSDHHTFNEHSMFD-VXGBXAGGSA-N 1 3 250.390 2.023 10 0 CEAEHO Cc1nn(C)c(C)c1[C@@H](C)N1CCC([C@H](C)[NH3+])CC1 ZINC000110645666 186308898 /nfs/dbraw/zinc/30/88/98/186308898.db2.gz NIEIIUUVBVBRJP-GXFFZTMASA-N 1 3 264.417 2.157 10 0 CEAEHO CC[NH2+]Cc1ccc(CN2CCN(C)C(C)(C)C2)cc1 ZINC000110921491 186332010 /nfs/dbraw/zinc/33/20/10/186332010.db2.gz KGTBVDMAMLBIPQ-UHFFFAOYSA-N 1 3 275.440 2.322 10 0 CEAEHO CCCN(C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000110940347 186334476 /nfs/dbraw/zinc/33/44/76/186334476.db2.gz GQHBRDDPUWFKRH-XUWVNRHRSA-N 1 3 295.471 2.238 10 0 CEAEHO Cc1ccc([C@H](CN)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000110977909 186339170 /nfs/dbraw/zinc/33/91/70/186339170.db2.gz KZZOIVDYJWLLHG-WBVHZDCISA-N 1 3 291.414 2.304 10 0 CEAEHO Cc1ccc([C@H](CN)N2CCC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000110977909 186339172 /nfs/dbraw/zinc/33/91/72/186339172.db2.gz KZZOIVDYJWLLHG-WBVHZDCISA-N 1 3 291.414 2.304 10 0 CEAEHO Cc1ccc([C@H]([NH3+])[C@H](C)N2CCN(C)C(C)(C)C2)cc1 ZINC000110716410 186315460 /nfs/dbraw/zinc/31/54/60/186315460.db2.gz ITWLNTWQYGAOBM-GOEBONIOSA-N 1 3 275.440 2.409 10 0 CEAEHO Cc1cc([C@H](C[NH3+])N2CCN(C)C(C)(C)C2)ccc1F ZINC000110711670 186315772 /nfs/dbraw/zinc/31/57/72/186315772.db2.gz UNIOWTUPNOEMDN-HNNXBMFYSA-N 1 3 279.403 2.160 10 0 CEAEHO COc1ccc([C@H]([NH3+])[C@@H](C)N2CCN(C)C(C)(C)C2)cc1 ZINC000110716425 186315839 /nfs/dbraw/zinc/31/58/39/186315839.db2.gz PYIZHRHZGNQCAF-CZUORRHYSA-N 1 3 291.439 2.110 10 0 CEAEHO CCc1ccc([C@H]([NH3+])CN2CCN(C)C(C)(C)C2)cc1 ZINC000110716290 186316332 /nfs/dbraw/zinc/31/63/32/186316332.db2.gz GGCWHQGWYLQAQR-MRXNPFEDSA-N 1 3 275.440 2.275 10 0 CEAEHO Cc1cc(C)cc([C@@H](C[NH3+])N2CCN(C)C(C)(C)C2)c1 ZINC000110711448 186316441 /nfs/dbraw/zinc/31/64/41/186316441.db2.gz VZJAKANWMPFZMD-MRXNPFEDSA-N 1 3 275.440 2.329 10 0 CEAEHO C[NH2+][C@@H](CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000110746901 186319860 /nfs/dbraw/zinc/31/98/60/186319860.db2.gz WUGOFPTUODGZEB-INIZCTEOSA-N 1 3 275.440 2.363 10 0 CEAEHO CC[C@@H]1CN([C@@H](C[NH2+]CC(C)C)C(C)C)CCN1C ZINC000110754193 186320290 /nfs/dbraw/zinc/32/02/90/186320290.db2.gz XWFCLIUTWVBDEH-CVEARBPZSA-N 1 3 269.477 2.283 10 0 CEAEHO CC[NH2+]Cc1cccc(CN2CCN(C)[C@@H](CC)C2)c1 ZINC000110753983 186320568 /nfs/dbraw/zinc/32/05/68/186320568.db2.gz DDIOZKSMPCZLME-KRWDZBQOSA-N 1 3 275.440 2.322 10 0 CEAEHO CCCN(CCN(C)C)[C@@H](C[NH3+])c1cccc(F)c1F ZINC000111039845 186346469 /nfs/dbraw/zinc/34/64/69/186346469.db2.gz MQEASUUVKXAFKC-AWEZNQCLSA-N 1 3 285.382 2.238 10 0 CEAEHO CC[C@H]([NH3+])[C@@H](N(C)C[C@@H]1CCCOC1)C(C)(C)C ZINC000111154058 186360580 /nfs/dbraw/zinc/36/05/80/186360580.db2.gz CWNSYMLHTVKMGI-MELADBBJSA-N 1 3 256.434 2.497 10 0 CEAEHO COCC[C@H](C)[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000337042950 365997200 /nfs/dbraw/zinc/99/72/00/365997200.db2.gz COLKMNMBBJJHBG-IMJJTQAJSA-N 1 3 262.397 2.086 10 0 CEAEHO COCC[C@H](C)[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000337042950 365997204 /nfs/dbraw/zinc/99/72/04/365997204.db2.gz COLKMNMBBJJHBG-IMJJTQAJSA-N 1 3 262.397 2.086 10 0 CEAEHO C[NH2+][C@@H]1CC(C)(C)Cc2nc(N(C)CCN(C)C)sc21 ZINC000111151324 186360958 /nfs/dbraw/zinc/36/09/58/186360958.db2.gz OSAMLBHAGUONLK-LLVKDONJSA-N 1 3 296.484 2.374 10 0 CEAEHO CCOCC[N@H+](CC)[C@@H]1C[C@@H](CC)CC[C@@H]1CN ZINC000111117114 186355438 /nfs/dbraw/zinc/35/54/38/186355438.db2.gz PKNNAVNGAZLVAZ-RRFJBIMHSA-N 1 3 256.434 2.498 10 0 CEAEHO CCOCC[N@@H+](CC)[C@@H]1C[C@@H](CC)CC[C@@H]1CN ZINC000111117114 186355440 /nfs/dbraw/zinc/35/54/40/186355440.db2.gz PKNNAVNGAZLVAZ-RRFJBIMHSA-N 1 3 256.434 2.498 10 0 CEAEHO CCc1ccc([C@@H]([NH2+]C)[C@H](C)N(C)CCN(C)C)cc1 ZINC000111134444 186357338 /nfs/dbraw/zinc/35/73/38/186357338.db2.gz XPRMBVKBTXSFHI-YOEHRIQHSA-N 1 3 277.456 2.391 10 0 CEAEHO CCCOc1ccc([C@H](CN(C)CCN(C)C)[NH2+]C)cc1 ZINC000111134574 186357882 /nfs/dbraw/zinc/35/78/82/186357882.db2.gz PKAFXHHTDOLMCX-KRWDZBQOSA-N 1 3 293.455 2.229 10 0 CEAEHO Cc1ccc(C)c([C@H](N)CN(C)CCC[NH+](C)C)c1 ZINC000111136251 186357995 /nfs/dbraw/zinc/35/79/95/186357995.db2.gz WUZDZLYQTHZUDO-MRXNPFEDSA-N 1 3 263.429 2.187 10 0 CEAEHO CN(C)CCN(C)CC1(C[NH2+]C(C)(C)C)CCCC1 ZINC000111147316 186359058 /nfs/dbraw/zinc/35/90/58/186359058.db2.gz PLFYZYWZYJQMPP-UHFFFAOYSA-N 1 3 269.477 2.428 10 0 CEAEHO CC(C)[NH2+]Cc1cnc(N(C)CCN(C)C)c(Cl)c1 ZINC000111149022 186359563 /nfs/dbraw/zinc/35/95/63/186359563.db2.gz WBULPAZTDRKXCL-UHFFFAOYSA-N 1 3 284.835 2.231 10 0 CEAEHO CN(C)CCN(C)CC[C@@H]([NH3+])c1ccccc1Cl ZINC000111147402 186359650 /nfs/dbraw/zinc/35/96/50/186359650.db2.gz UVJZRMIFXRNFBD-CQSZACIVSA-N 1 3 269.820 2.223 10 0 CEAEHO CCOC1CC[NH+](C[C@@]2(CNC3CC3)CCCOC2)CC1 ZINC000111326107 186398678 /nfs/dbraw/zinc/39/86/78/186398678.db2.gz XYGWORYEEQLBHI-KRWDZBQOSA-N 1 3 296.455 2.036 10 0 CEAEHO [NH3+]C[C@@]1(CN2CC[C@@H](c3ccccc3)C2)CCCOC1 ZINC000111325933 186398798 /nfs/dbraw/zinc/39/87/98/186398798.db2.gz AOCXIENKRSHOAY-IAGOWNOFSA-N 1 3 274.408 2.231 10 0 CEAEHO C(C[C@@H]1CCCO1)N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093452708 539848726 /nfs/dbraw/zinc/84/87/26/539848726.db2.gz JXLGATKKFURHDF-YJNKXOJESA-N 1 3 252.402 2.066 10 0 CEAEHO C[C@@H]([NH2+]CCCN(C)c1ccccc1)[C@@H]1CCCNC1 ZINC000570077247 299236277 /nfs/dbraw/zinc/23/62/77/299236277.db2.gz RLBPNHWTMNVZOC-HZPDHXFCSA-N 1 3 275.440 2.491 10 0 CEAEHO CCC[C@@H](N)C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000236966161 370667785 /nfs/dbraw/zinc/66/77/85/370667785.db2.gz QJAPKRGHKWMCMC-MRXNPFEDSA-N 1 3 291.439 2.272 10 0 CEAEHO C[C@@H](NCCCN1CCc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400464962 296123922 /nfs/dbraw/zinc/12/39/22/296123922.db2.gz VTTNQHBUBYBLRX-ZBFHGGJFSA-N 1 3 273.424 2.027 10 0 CEAEHO C[C@@H]1CN(C2CCN(Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000251799385 371416623 /nfs/dbraw/zinc/41/66/23/371416623.db2.gz NVUZAYKSGKAUQA-CRAIPNDOSA-N 1 3 287.451 2.320 10 0 CEAEHO CC(C)c1ccc([C@H](N)CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000262536221 371874148 /nfs/dbraw/zinc/87/41/48/371874148.db2.gz BEMJIPQAHJSVCG-ARFHVFGLSA-N 1 3 289.423 2.053 10 0 CEAEHO C[C@H](CN(C)Cc1ccccc1)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400514774 375372174 /nfs/dbraw/zinc/37/21/74/375372174.db2.gz MSNGGJAWHOBMSO-VYDXJSESSA-N 1 3 275.440 2.095 10 0 CEAEHO C[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000562960088 377037423 /nfs/dbraw/zinc/03/74/23/377037423.db2.gz AZJDRUXVZCRCJU-SOLBZPMBSA-N 1 3 289.467 2.485 10 0 CEAEHO C[C@@H](NC[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423098048 376991438 /nfs/dbraw/zinc/99/14/38/376991438.db2.gz JUMWREJQLZLYJX-XLWJZTARSA-N 1 3 254.418 2.310 10 0 CEAEHO C[C@@H](NCCSCC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000564825539 377466899 /nfs/dbraw/zinc/46/68/99/377466899.db2.gz OQVWLLBBINBHIF-NXEZZACHSA-N 1 3 270.364 2.260 10 0 CEAEHO C[C@@H]([NH2+]CCSCC(F)(F)F)[C@@H]1CCCNC1 ZINC000564825539 377466904 /nfs/dbraw/zinc/46/69/04/377466904.db2.gz OQVWLLBBINBHIF-NXEZZACHSA-N 1 3 270.364 2.260 10 0 CEAEHO C[C@@H]1C[C@@H](C)CC(C[NH3+])(N2CCN3CCCC[C@@H]3C2)C1 ZINC000094438893 184798893 /nfs/dbraw/zinc/79/88/93/184798893.db2.gz PREWQQJMGPMWPH-BZUAXINKSA-N 1 3 279.472 2.310 10 0 CEAEHO CC(C)C[N@H+](CCN(C)C)[C@@]1(CN)CC(C)(C)OC1(C)C ZINC000094425018 184795638 /nfs/dbraw/zinc/79/56/38/184795638.db2.gz AZXYKRLJPWEUDI-QGZVFWFLSA-N 1 3 299.503 2.181 10 0 CEAEHO CC(C)C[N@@H+](CCN(C)C)[C@@]1(CN)CC(C)(C)OC1(C)C ZINC000094425018 184795639 /nfs/dbraw/zinc/79/56/39/184795639.db2.gz AZXYKRLJPWEUDI-QGZVFWFLSA-N 1 3 299.503 2.181 10 0 CEAEHO C[C@@H](NCCc1c[nH]c2ccccc12)[C@H]1CC[NH2+]C1 ZINC000400530518 533404588 /nfs/dbraw/zinc/40/45/88/533404588.db2.gz RNQISJDNSICKLT-OLZOCXBDSA-N 1 3 257.381 2.298 10 0 CEAEHO C[C@@H]([NH3+])CCC[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000087704502 135050872 /nfs/dbraw/zinc/05/08/72/135050872.db2.gz YKBLCLYRJJVJIF-JKSUJKDBSA-N 1 3 290.455 2.357 10 0 CEAEHO Cc1cc(C)c(C[NH3+])c(N2C[C@H]3CCCCN3C[C@@H]2C)n1 ZINC000094443291 135088741 /nfs/dbraw/zinc/08/87/41/135088741.db2.gz LEFXROYZHMAUCF-LSDHHAIUSA-N 1 3 288.439 2.220 10 0 CEAEHO CC(C)[NH2+]CCC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000381047268 395170724 /nfs/dbraw/zinc/17/07/24/395170724.db2.gz FZSJEQROZTYOSV-OAHLLOKOSA-N 1 3 291.439 2.011 10 0 CEAEHO CC[NH+](CC)CCCN1CCC[C@H]1Cn1ccnc1C ZINC000191805009 153189695 /nfs/dbraw/zinc/18/96/95/153189695.db2.gz KNFSBKFLGCABRO-INIZCTEOSA-N 1 3 278.444 2.388 10 0 CEAEHO CCN(CC)CCC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000191805009 153189700 /nfs/dbraw/zinc/18/97/00/153189700.db2.gz KNFSBKFLGCABRO-INIZCTEOSA-N 1 3 278.444 2.388 10 0 CEAEHO CCN(CC)CCC[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000191805009 153189704 /nfs/dbraw/zinc/18/97/04/153189704.db2.gz KNFSBKFLGCABRO-INIZCTEOSA-N 1 3 278.444 2.388 10 0 CEAEHO CCC(C)(C)C1CCC(NC[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263209104 154035999 /nfs/dbraw/zinc/03/59/99/154035999.db2.gz KBYJOXLVTWTSNU-URGYJCLVSA-N 1 3 268.445 2.151 10 0 CEAEHO CCC(C)(C)C1CCC([NH2+]C[C@H]2CNC[C@@H]2O)CC1 ZINC000263209104 154036005 /nfs/dbraw/zinc/03/60/05/154036005.db2.gz KBYJOXLVTWTSNU-URGYJCLVSA-N 1 3 268.445 2.151 10 0 CEAEHO C[C@@H](NCCCOC1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400429683 287026142 /nfs/dbraw/zinc/02/61/42/287026142.db2.gz ZRPJLWHHCIQWHD-ZIAGYGMSSA-N 1 3 254.418 2.313 10 0 CEAEHO C[C@@H](N)c1c(F)cccc1OCC[NH+]1CCCC1 ZINC000040240144 174212708 /nfs/dbraw/zinc/21/27/08/174212708.db2.gz HAOMACPSSIQTJL-LLVKDONJSA-N 1 3 252.333 2.320 10 0 CEAEHO CCOC1CC[NH+]([C@@H]2CCCCC[C@@H]2CN)CC1 ZINC000040678495 174374576 /nfs/dbraw/zinc/37/45/76/174374576.db2.gz JMXXDVZRDXMIGS-UKRRQHHQSA-N 1 3 254.418 2.395 10 0 CEAEHO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](O)CN(C)C(C)C ZINC000311758313 414859541 /nfs/dbraw/zinc/85/95/41/414859541.db2.gz VZFIBEUSZZFMLB-LSDHHAIUSA-N 1 3 264.413 2.347 10 0 CEAEHO CC[C@H]([NH3+])[C@H](c1cccnc1)N1CCN(C(C)(C)C)CC1 ZINC000043347515 175018002 /nfs/dbraw/zinc/01/80/02/175018002.db2.gz CGTXGVFQUKOJMJ-HOTGVXAUSA-N 1 3 290.455 2.276 10 0 CEAEHO Cc1cc(C)cc([C@@H](C[NH3+])N2CCN(CC3CC3)CC2)c1 ZINC000043394400 175034705 /nfs/dbraw/zinc/03/47/05/175034705.db2.gz KBWLWUINLMSSDD-GOSISDBHSA-N 1 3 287.451 2.331 10 0 CEAEHO CCC[C@@H]([NH2+]C)[C@H](CC)N(C)C1CCN(C)CC1 ZINC000043815238 175111940 /nfs/dbraw/zinc/11/19/40/175111940.db2.gz SQHAXTGRBKDHMJ-CABCVRRESA-N 1 3 255.450 2.179 10 0 CEAEHO C[NH2+][C@H](c1ccccc1)[C@H](C)N1CCN(C(C)C)CC1 ZINC000043896872 175119033 /nfs/dbraw/zinc/11/90/33/175119033.db2.gz OMYFSVLEMPZRJL-RDJZCZTQSA-N 1 3 275.440 2.362 10 0 CEAEHO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CCN(C(C)C)CC1 ZINC000043897053 175120121 /nfs/dbraw/zinc/12/01/21/175120121.db2.gz UUDREJYXVLVRRE-XHSDSOJGSA-N 1 3 267.461 2.179 10 0 CEAEHO C[C@H](CN1CCCCC1)NC(=O)C1(C[NH3+])CCCCCC1 ZINC000044763731 175247850 /nfs/dbraw/zinc/24/78/50/175247850.db2.gz TVVVMYHYXOKCSG-OAHLLOKOSA-N 1 3 295.471 2.276 10 0 CEAEHO CCCC(CN)(CCC)[N@H+](C)C[C@H]1CCN(C)C1 ZINC000071188581 176063469 /nfs/dbraw/zinc/06/34/69/176063469.db2.gz VHCIWPXAYWXDNR-AWEZNQCLSA-N 1 3 255.450 2.168 10 0 CEAEHO CCCC(CN)(CCC)[N@@H+](C)C[C@H]1CCN(C)C1 ZINC000071188581 176063470 /nfs/dbraw/zinc/06/34/70/176063470.db2.gz VHCIWPXAYWXDNR-AWEZNQCLSA-N 1 3 255.450 2.168 10 0 CEAEHO Cc1nccn1CC[N@H+]1C[C@@H](CC(C)C)NC[C@@H]1C1CC1 ZINC000071351162 176134355 /nfs/dbraw/zinc/13/43/55/176134355.db2.gz ABSDEHQWMBARGP-IAGOWNOFSA-N 1 3 290.455 2.290 10 0 CEAEHO Cc1nccn1CC[N@@H+]1C[C@@H](CC(C)C)NC[C@@H]1C1CC1 ZINC000071351162 176134357 /nfs/dbraw/zinc/13/43/57/176134357.db2.gz ABSDEHQWMBARGP-IAGOWNOFSA-N 1 3 290.455 2.290 10 0 CEAEHO CC[C@@H]([NH3+])Cc1cc(C)ccc1OCCN(C)C ZINC000071412363 176157786 /nfs/dbraw/zinc/15/77/86/176157786.db2.gz BGNKQHBFNQWKAU-CQSZACIVSA-N 1 3 250.386 2.215 10 0 CEAEHO Cc1cc(N2CC[C@H](N3CC[NH2+]CC3)C2)c2ccccc2n1 ZINC000262562029 280574981 /nfs/dbraw/zinc/57/49/81/280574981.db2.gz VSLIPMMRLWAZHR-HNNXBMFYSA-N 1 3 296.418 2.027 10 0 CEAEHO CCC[C@@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)N(C)C ZINC000154690310 289153053 /nfs/dbraw/zinc/15/30/53/289153053.db2.gz MYQFMVISGPXFCJ-AWEZNQCLSA-N 1 3 283.460 2.096 10 0 CEAEHO CC[NH2+]CC1(CN(C)CCC(C)C)CCOCC1 ZINC000052197840 519911471 /nfs/dbraw/zinc/91/14/71/519911471.db2.gz UZLLYOKVIPMDQX-UHFFFAOYSA-N 1 3 256.434 2.371 10 0 CEAEHO CCC[NH2+]CC1(CN2CC[C@@H](C)C2)CCOCC1 ZINC000052182187 519910719 /nfs/dbraw/zinc/91/07/19/519910719.db2.gz UZMIAGBZGNGTMJ-CQSZACIVSA-N 1 3 254.418 2.125 10 0 CEAEHO CCC[NH2+]C[C@@]1(CN(CC)CC2CC2)CCOC1 ZINC000069239879 519928634 /nfs/dbraw/zinc/92/86/34/519928634.db2.gz FMLXGHGIBCSKAG-OAHLLOKOSA-N 1 3 254.418 2.125 10 0 CEAEHO CCCNC[C@@]1(C[N@H+](CC)CC2CC2)CCOC1 ZINC000069239879 519928641 /nfs/dbraw/zinc/92/86/41/519928641.db2.gz FMLXGHGIBCSKAG-OAHLLOKOSA-N 1 3 254.418 2.125 10 0 CEAEHO CCCNC[C@@]1(C[N@@H+](CC)CC2CC2)CCOC1 ZINC000069239879 519928647 /nfs/dbraw/zinc/92/86/47/519928647.db2.gz FMLXGHGIBCSKAG-OAHLLOKOSA-N 1 3 254.418 2.125 10 0 CEAEHO CCC[NH2+]C[C@H](C)CN1CCN(C(C)(C)C)CC1 ZINC000052571601 519930836 /nfs/dbraw/zinc/93/08/36/519930836.db2.gz SOIRJWIRHVUYMO-AWEZNQCLSA-N 1 3 255.450 2.038 10 0 CEAEHO CCCCC[C@@H](C[NH3+])N1CCN(C2CCCC2)CC1 ZINC000052060842 520290821 /nfs/dbraw/zinc/29/08/21/520290821.db2.gz XRPMYSMKHOGICB-INIZCTEOSA-N 1 3 267.461 2.454 10 0 CEAEHO CCC[C@]1(C[NH2+]CC[C@H]2CCCO2)CCCNC1 ZINC000062867620 521313552 /nfs/dbraw/zinc/31/35/52/521313552.db2.gz KPMHJWMHWSEPBD-CABCVRRESA-N 1 3 254.418 2.315 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](CC)C[NH2+]CC(C)C)CC1 ZINC000055074656 522127993 /nfs/dbraw/zinc/12/79/93/522127993.db2.gz ZVWDQKRIMWQRQJ-CVEARBPZSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](C[NH2+]C(C)C)C(C)C)CC1 ZINC000055074455 522128078 /nfs/dbraw/zinc/12/80/78/522128078.db2.gz PFTGWDYJVYCBEO-CVEARBPZSA-N 1 3 269.477 2.425 10 0 CEAEHO C(CC1CC[NH2+]CC1)CN1CCO[C@@H]2CCC[C@H]21 ZINC000050953899 518382723 /nfs/dbraw/zinc/38/27/23/518382723.db2.gz VMLFPPYCSHIOCV-HUUCEWRRSA-N 1 3 252.402 2.020 10 0 CEAEHO C(CC1CC[NH2+]CC1)CN1CCO[C@H]2CCC[C@H]21 ZINC000050953904 518383685 /nfs/dbraw/zinc/38/36/85/518383685.db2.gz VMLFPPYCSHIOCV-CABCVRRESA-N 1 3 252.402 2.020 10 0 CEAEHO CC(C)C[C@H](CN(C)C)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000049560739 519337024 /nfs/dbraw/zinc/33/70/24/519337024.db2.gz LHQCDBRJRVAVGA-OAHLLOKOSA-N 1 3 292.427 2.243 10 0 CEAEHO CC(C)N1CCN(c2ccc(Cl)cc2C(N)=[NH2+])CC1 ZINC000052860062 519683412 /nfs/dbraw/zinc/68/34/12/519683412.db2.gz OISFDADZPMPWPY-UHFFFAOYSA-N 1 3 280.803 2.154 10 0 CEAEHO CC(C)CN1CCN(C[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000055082037 519726696 /nfs/dbraw/zinc/72/66/96/519726696.db2.gz WQUIQYQWVNDHNP-HOTGVXAUSA-N 1 3 267.461 2.168 10 0 CEAEHO CC(C)CN1CCN([C@@H](C[NH3+])CCc2ccccc2)CC1 ZINC000061625180 519727527 /nfs/dbraw/zinc/72/75/27/519727527.db2.gz QWCYLRCLURDIQL-GOSISDBHSA-N 1 3 289.467 2.220 10 0 CEAEHO CC(C)CN1CCN([C@@](C)(C[NH3+])CC(C)C)CC1 ZINC000055078523 519728127 /nfs/dbraw/zinc/72/81/27/519728127.db2.gz FKJQFNJZYYLMTA-OAHLLOKOSA-N 1 3 255.450 2.024 10 0 CEAEHO CC(C)CNCc1cn(CC[N@H+](C)[C@H](C)CC(C)C)nn1 ZINC000052571936 519748055 /nfs/dbraw/zinc/74/80/55/519748055.db2.gz DGVWLMDFNHYUIT-OAHLLOKOSA-N 1 3 295.475 2.390 10 0 CEAEHO CC(C)CNCc1cn(CC[N@@H+](C)[C@H](C)CC(C)C)nn1 ZINC000052571936 519748057 /nfs/dbraw/zinc/74/80/57/519748057.db2.gz DGVWLMDFNHYUIT-OAHLLOKOSA-N 1 3 295.475 2.390 10 0 CEAEHO CC(C)[C@@H](CN(C)C)[NH2+]CC[C@H]1CCCCN1C ZINC000052205967 519793555 /nfs/dbraw/zinc/79/35/55/519793555.db2.gz RIQSVBVMTPUGLX-HUUCEWRRSA-N 1 3 255.450 2.037 10 0 CEAEHO CCCN1CCN([C@H](C[NH3+])c2ccc(OC)c(C)c2)CC1 ZINC000050596474 519859769 /nfs/dbraw/zinc/85/97/69/519859769.db2.gz ISRZSSSYSCXRCK-MRXNPFEDSA-N 1 3 291.439 2.031 10 0 CEAEHO CC[NH2+]CC1(CN2CCCC[C@H]2C)CCOCC1 ZINC000052180690 519912895 /nfs/dbraw/zinc/91/28/95/519912895.db2.gz KHBJBDPUOFUBGE-CQSZACIVSA-N 1 3 254.418 2.267 10 0 CEAEHO CCC[NH2+][C@@H](C)[C@H](C)N1CCN([C@@H](C)CC)CC1 ZINC000055066162 519986479 /nfs/dbraw/zinc/98/64/79/519986479.db2.gz GDLUDOWBLSIWTP-KKUMJFAQSA-N 1 3 255.450 2.179 10 0 CEAEHO CCNCc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)ccn1 ZINC000062971497 519993672 /nfs/dbraw/zinc/99/36/72/519993672.db2.gz VBUZCYTUKOMMGW-KRWDZBQOSA-N 1 3 288.439 2.256 10 0 CEAEHO CC[NH2+]Cc1ccccc1CN(C)C[C@@H]1CCCO1 ZINC000052541093 520007154 /nfs/dbraw/zinc/00/71/54/520007154.db2.gz XUWPZHSRTCRYLK-INIZCTEOSA-N 1 3 262.397 2.407 10 0 CEAEHO CCC[NH2+][C@H](CN1CCN(C2CCCC2)CC1)C1CC1 ZINC000069074989 520082355 /nfs/dbraw/zinc/08/23/55/520082355.db2.gz CGUOHPQWSQAIMV-QGZVFWFLSA-N 1 3 279.472 2.325 10 0 CEAEHO CCN[C@@H](CC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000053932124 520088242 /nfs/dbraw/zinc/08/82/42/520088242.db2.gz RHCJJARPFDGAIT-INIZCTEOSA-N 1 3 262.397 2.184 10 0 CEAEHO CCO[C@@H]1CCCN(Cc2cc(C[NH2+]C)oc2C)C1 ZINC000052372313 520319820 /nfs/dbraw/zinc/31/98/20/520319820.db2.gz VESKINPBPNDMLD-CQSZACIVSA-N 1 3 266.385 2.308 10 0 CEAEHO CCC[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1CCn1ccnc1C ZINC000068695581 520842941 /nfs/dbraw/zinc/84/29/41/520842941.db2.gz DWXRWQQJECNDJJ-HZPDHXFCSA-N 1 3 278.444 2.290 10 0 CEAEHO CCC[C@@H]1CN[C@@H](C(C)C)C[N@H+]1CCn1ccnc1C ZINC000068695581 520842947 /nfs/dbraw/zinc/84/29/47/520842947.db2.gz DWXRWQQJECNDJJ-HZPDHXFCSA-N 1 3 278.444 2.290 10 0 CEAEHO CCC(CC)[C@H](CNC(=O)[C@H]1CCCCN1)[NH+]1CCCC1 ZINC000164390213 521617139 /nfs/dbraw/zinc/61/71/39/521617139.db2.gz CLHNRBBBABVWHJ-CVEARBPZSA-N 1 3 295.471 2.145 10 0 CEAEHO CCC[N@H+](CC1(CNC2CC2)CCOCC1)C1CC1 ZINC000052181426 521618616 /nfs/dbraw/zinc/61/86/16/521618616.db2.gz JCRZKJKHMOMTTO-UHFFFAOYSA-N 1 3 266.429 2.410 10 0 CEAEHO CCC[N@@H+](CC1(CNC2CC2)CCOCC1)C1CC1 ZINC000052181426 521618617 /nfs/dbraw/zinc/61/86/17/521618617.db2.gz JCRZKJKHMOMTTO-UHFFFAOYSA-N 1 3 266.429 2.410 10 0 CEAEHO CCCN(CC1(C[NH2+]C2CC2)CCOCC1)C1CC1 ZINC000052181426 521618621 /nfs/dbraw/zinc/61/86/21/521618621.db2.gz JCRZKJKHMOMTTO-UHFFFAOYSA-N 1 3 266.429 2.410 10 0 CEAEHO CCOC1CCN(C[C@@H]2CC[C@@H](C[NH2+]CC(C)C)O2)CC1 ZINC000052484101 521655827 /nfs/dbraw/zinc/65/58/27/521655827.db2.gz SKUSPLCDQPEEAY-IRXDYDNUSA-N 1 3 298.471 2.281 10 0 CEAEHO CCOC1CCN(C[C@H]2CC[C@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052484096 521655847 /nfs/dbraw/zinc/65/58/47/521655847.db2.gz NYUACUDFDWOXOH-HZPDHXFCSA-N 1 3 298.471 2.423 10 0 CEAEHO CCCN(CCN(C)C)[C@H](CC)C[NH2+]C(C)(C)C ZINC000052544140 521658106 /nfs/dbraw/zinc/65/81/06/521658106.db2.gz FIPFDMQKKNPFCK-CQSZACIVSA-N 1 3 257.466 2.427 10 0 CEAEHO CCN1CC[C@H](C[NH2+]CCCOc2ccccc2)C1 ZINC000061815693 521717505 /nfs/dbraw/zinc/71/75/05/521717505.db2.gz KNDMZMVZUKLBEY-OAHLLOKOSA-N 1 3 262.397 2.387 10 0 CEAEHO CN(C)C[C@@H]1CCC[N@@H+]1C1(CN)CCCCCCC1 ZINC000061642993 521834665 /nfs/dbraw/zinc/83/46/65/521834665.db2.gz FKXRHRASARFIGG-HNNXBMFYSA-N 1 3 267.461 2.454 10 0 CEAEHO CN(C)C[C@@H]1CCC[N@H+]1C1(CN)CCCCCCC1 ZINC000061642993 521834675 /nfs/dbraw/zinc/83/46/75/521834675.db2.gz FKXRHRASARFIGG-HNNXBMFYSA-N 1 3 267.461 2.454 10 0 CEAEHO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H](CN(C)C)C(C)C ZINC000054602600 521953350 /nfs/dbraw/zinc/95/33/50/521953350.db2.gz HNYCATZIHJBBCV-UYTSQGDYSA-N 1 3 267.461 2.178 10 0 CEAEHO CC[C@@H](C)C[N@H+](C)CCn1cc(CNCC(C)C)nn1 ZINC000052454189 521971068 /nfs/dbraw/zinc/97/10/68/521971068.db2.gz WSTGYNPQYKXIEY-CQSZACIVSA-N 1 3 281.448 2.002 10 0 CEAEHO CC[C@@H](C)C[N@@H+](C)CCn1cc(CNCC(C)C)nn1 ZINC000052454189 521971075 /nfs/dbraw/zinc/97/10/75/521971075.db2.gz WSTGYNPQYKXIEY-CQSZACIVSA-N 1 3 281.448 2.002 10 0 CEAEHO C[NH2+]CCC[C@H](C)N1CCN(Cc2ccccc2)CC1 ZINC000052417125 522000094 /nfs/dbraw/zinc/00/00/94/522000094.db2.gz JJEGXYBWPFHKJC-INIZCTEOSA-N 1 3 275.440 2.192 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC000055065451 522130454 /nfs/dbraw/zinc/13/04/54/522130454.db2.gz BOWQDNGYTCZGFW-COXVUDFISA-N 1 3 273.424 2.027 10 0 CEAEHO CNCc1cnc(N2CCC([NH+]3CCCCC3)CC2)s1 ZINC000054905856 522145077 /nfs/dbraw/zinc/14/50/77/522145077.db2.gz FNJQYHZBSNLODD-UHFFFAOYSA-N 1 3 294.468 2.317 10 0 CEAEHO CC[C@H](C[NH2+]CC(C)C)N1CCN(C(C)(C)C)CC1 ZINC000052571595 522195333 /nfs/dbraw/zinc/19/53/33/522195333.db2.gz MSPHLXLRWOLURN-OAHLLOKOSA-N 1 3 269.477 2.427 10 0 CEAEHO CN(C)c1ccncc1NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050943715 522311226 /nfs/dbraw/zinc/31/12/26/522311226.db2.gz LZXGQYKOVPIHFY-GFCCVEGCSA-N 1 3 276.384 2.008 10 0 CEAEHO CN[C@@H](C)c1cnc(N2CCC(C[NH+](C)C)CC2)s1 ZINC000054907423 522336780 /nfs/dbraw/zinc/33/67/80/522336780.db2.gz RATBCIKRQDAJST-NSHDSACASA-N 1 3 282.457 2.202 10 0 CEAEHO C[NH2+][C@@H]1CCCCC[C@H]1N1CCN(CC(C)C)CC1 ZINC000055078802 522378276 /nfs/dbraw/zinc/37/82/76/522378276.db2.gz GAXZBPMXMXSNGR-HZPDHXFCSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@@H](C[NH2+]C(C)C)N(CCN(C)C)CC(C)C ZINC000052503279 522543889 /nfs/dbraw/zinc/54/38/89/522543889.db2.gz VJATYQZXYAYJGQ-HNNXBMFYSA-N 1 3 257.466 2.283 10 0 CEAEHO CN(CCc1ccncc1)Cc1cc(F)ccc1C[NH3+] ZINC000069401272 522977352 /nfs/dbraw/zinc/97/73/52/522977352.db2.gz RAEZUURJLBYCAS-UHFFFAOYSA-N 1 3 273.355 2.354 10 0 CEAEHO CC[C@@]1(C)CN[C@@H](C(C)C)C[N@@H+]1CCn1ccnc1C ZINC000068704266 523718507 /nfs/dbraw/zinc/71/85/07/523718507.db2.gz MZGHTGZUUHLOPT-CVEARBPZSA-N 1 3 278.444 2.290 10 0 CEAEHO CC[C@@]1(C)CN[C@@H](C(C)C)C[N@H+]1CCn1ccnc1C ZINC000068704266 523718511 /nfs/dbraw/zinc/71/85/11/523718511.db2.gz MZGHTGZUUHLOPT-CVEARBPZSA-N 1 3 278.444 2.290 10 0 CEAEHO COCC[N@H+](C[C@@H](C)CNC1CC1)[C@@H](C)C1CC1 ZINC000052545311 523729142 /nfs/dbraw/zinc/72/91/42/523729142.db2.gz KFCHDDWMYMOWCX-STQMWFEESA-N 1 3 254.418 2.121 10 0 CEAEHO COCC[N@@H+](C[C@@H](C)CNC1CC1)[C@@H](C)C1CC1 ZINC000052545311 523729148 /nfs/dbraw/zinc/72/91/48/523729148.db2.gz KFCHDDWMYMOWCX-STQMWFEESA-N 1 3 254.418 2.121 10 0 CEAEHO CC[C@H](C)N1CCN(CC(C)(C)C[NH2+]C(C)C)CC1 ZINC000055072142 523952417 /nfs/dbraw/zinc/95/24/17/523952417.db2.gz ZCVVCHUZKMXOER-HNNXBMFYSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@H]2CCCC[C@@H]2[NH2+]C)CC1 ZINC000055072572 523955528 /nfs/dbraw/zinc/95/55/28/523955528.db2.gz BLIDCSDEMZZBOK-XHSDSOJGSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@H](C)N1CCN([C@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC000055065453 523959136 /nfs/dbraw/zinc/95/91/36/523959136.db2.gz BOWQDNGYTCZGFW-JQFCIGGWSA-N 1 3 273.424 2.027 10 0 CEAEHO CC[C@H](C)[NH2+]C[C@@H](C)N1CCN([C@@H](C)CC)CC1 ZINC000055075231 524003965 /nfs/dbraw/zinc/00/39/65/524003965.db2.gz XNNOAZNTWWTDLI-SOUVJXGZSA-N 1 3 255.450 2.179 10 0 CEAEHO C[C@@H]1CCCC[N@@H+]1CC1(CNC2CC2)CCOCC1 ZINC000052180699 524098738 /nfs/dbraw/zinc/09/87/38/524098738.db2.gz AUGKCSHAXLVDBX-CQSZACIVSA-N 1 3 266.429 2.410 10 0 CEAEHO C[C@@H]1CCCC[N@H+]1CC1(CNC2CC2)CCOCC1 ZINC000052180699 524098743 /nfs/dbraw/zinc/09/87/43/524098743.db2.gz AUGKCSHAXLVDBX-CQSZACIVSA-N 1 3 266.429 2.410 10 0 CEAEHO C[C@@H]1CCCCN1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052180699 524098751 /nfs/dbraw/zinc/09/87/51/524098751.db2.gz AUGKCSHAXLVDBX-CQSZACIVSA-N 1 3 266.429 2.410 10 0 CEAEHO C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000049553679 524476837 /nfs/dbraw/zinc/47/68/37/524476837.db2.gz UKKJRTPWPIPLEA-RYUDHWBXSA-N 1 3 291.395 2.008 10 0 CEAEHO Cc1cc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c(C)n1C ZINC000052790278 524758281 /nfs/dbraw/zinc/75/82/81/524758281.db2.gz IUSGPRVJQPMVGX-AWEZNQCLSA-N 1 3 261.413 2.216 10 0 CEAEHO Cc1cc(CNC[C@@H]2CC[N@H+](C3CC3)C2)c(C)n1C ZINC000052790278 524758293 /nfs/dbraw/zinc/75/82/93/524758293.db2.gz IUSGPRVJQPMVGX-AWEZNQCLSA-N 1 3 261.413 2.216 10 0 CEAEHO Cc1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c(C)n1C ZINC000052790278 524758301 /nfs/dbraw/zinc/75/83/01/524758301.db2.gz IUSGPRVJQPMVGX-AWEZNQCLSA-N 1 3 261.413 2.216 10 0 CEAEHO C[C@@H](c1ccccc1)[C@@H](C[NH3+])N(C)[C@@H]1CCCN(C)C1 ZINC000053206142 526097086 /nfs/dbraw/zinc/09/70/86/526097086.db2.gz UHYXLPFJKHGHPN-USXIJHARSA-N 1 3 275.440 2.143 10 0 CEAEHO C[C@@H](c1cccs1)N(C)CCN1CCC[NH2+]CC1 ZINC000061275477 526142525 /nfs/dbraw/zinc/14/25/25/526142525.db2.gz DASMLJPYVHEOKB-ZDUSSCGKSA-N 1 3 267.442 2.036 10 0 CEAEHO c1ccc(CN2CCSCC2)c(C[NH2+]C2CC2)c1 ZINC000052443311 526471257 /nfs/dbraw/zinc/47/12/57/526471257.db2.gz LEEXRXKFMIKQDG-UHFFFAOYSA-N 1 3 262.422 2.487 10 0 CEAEHO Cc1oc(COCC[NH+](C)C)cc1CNC(C)C ZINC000052669551 526774040 /nfs/dbraw/zinc/77/40/40/526774040.db2.gz BRVYCZXFPIRQEH-UHFFFAOYSA-N 1 3 254.374 2.164 10 0 CEAEHO [NH3+]C1CCC(N2CCN(Cc3ccccc3)CC2)CC1 ZINC000055144239 527140360 /nfs/dbraw/zinc/14/03/60/527140360.db2.gz ZEIKGWOAYURSEZ-UHFFFAOYSA-N 1 3 273.424 2.074 10 0 CEAEHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@H]1CCCO1 ZINC000036961239 361875159 /nfs/dbraw/zinc/87/51/59/361875159.db2.gz XJXYXKVMIPWOFT-XJKSGUPXSA-N 1 3 275.396 2.208 10 0 CEAEHO c1ccc(CN2CCCN([C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000306500164 344713863 /nfs/dbraw/zinc/71/38/63/344713863.db2.gz MSLPODGGGOHCRJ-GOSISDBHSA-N 1 3 287.451 2.336 10 0 CEAEHO CC[C@]1(C)CNC(C)(C)C[N@@H+]1CCn1ccnc1C ZINC000085471202 179076675 /nfs/dbraw/zinc/07/66/75/179076675.db2.gz DMMVUYYRNVBJJO-OAHLLOKOSA-N 1 3 264.417 2.044 10 0 CEAEHO CC[C@]1(C)CNC(C)(C)C[N@H+]1CCn1ccnc1C ZINC000085471202 179076677 /nfs/dbraw/zinc/07/66/77/179076677.db2.gz DMMVUYYRNVBJJO-OAHLLOKOSA-N 1 3 264.417 2.044 10 0 CEAEHO CC[C@]1(C)CN[C@H](C2CC2)C[N@@H+]1CCn1ccnc1C ZINC000085528380 179091104 /nfs/dbraw/zinc/09/11/04/179091104.db2.gz LLNIPHUWXVEOOW-JKSUJKDBSA-N 1 3 276.428 2.044 10 0 CEAEHO CC[C@]1(C)CN[C@H](C2CC2)C[N@H+]1CCn1ccnc1C ZINC000085528380 179091106 /nfs/dbraw/zinc/09/11/06/179091106.db2.gz LLNIPHUWXVEOOW-JKSUJKDBSA-N 1 3 276.428 2.044 10 0 CEAEHO C[C@@H]1CCN[C@H](C2CC2)C[N@@H+]1CCCOCC(F)(F)F ZINC000085626723 179107193 /nfs/dbraw/zinc/10/71/93/179107193.db2.gz ONYIYUGTBSCRGM-YPMHNXCESA-N 1 3 294.361 2.418 10 0 CEAEHO C[C@@H]1CCN[C@H](C2CC2)C[N@H+]1CCCOCC(F)(F)F ZINC000085626723 179107194 /nfs/dbraw/zinc/10/71/94/179107194.db2.gz ONYIYUGTBSCRGM-YPMHNXCESA-N 1 3 294.361 2.418 10 0 CEAEHO C[C@@H]1CC[NH2+][C@H](C2CC2)CN1CCCOCC(F)(F)F ZINC000085626723 179107196 /nfs/dbraw/zinc/10/71/96/179107196.db2.gz ONYIYUGTBSCRGM-YPMHNXCESA-N 1 3 294.361 2.418 10 0 CEAEHO CC(C)[C@@H]1C[N@H+](CCCOCC(F)(F)F)CCCN1 ZINC000085608428 179101806 /nfs/dbraw/zinc/10/18/06/179101806.db2.gz ULBRYAHZIQYDKS-LBPRGKRZSA-N 1 3 282.350 2.275 10 0 CEAEHO CC(C)[C@@H]1C[N@@H+](CCCOCC(F)(F)F)CCCN1 ZINC000085608428 179101808 /nfs/dbraw/zinc/10/18/08/179101808.db2.gz ULBRYAHZIQYDKS-LBPRGKRZSA-N 1 3 282.350 2.275 10 0 CEAEHO CC[C@@H](C)[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CCCN1 ZINC000085609433 179101848 /nfs/dbraw/zinc/10/18/48/179101848.db2.gz ULLRVVFDJUXDNO-ILXRZTDVSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[C@@H](C)[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)CCCN1 ZINC000085609433 179101851 /nfs/dbraw/zinc/10/18/51/179101851.db2.gz ULLRVVFDJUXDNO-ILXRZTDVSA-N 1 3 254.418 2.266 10 0 CEAEHO C[C@@H]1CC[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CCCO1 ZINC000085624332 179107441 /nfs/dbraw/zinc/10/74/41/179107441.db2.gz HVIDODIXTBRKFF-HZSPNIEDSA-N 1 3 254.418 2.264 10 0 CEAEHO C[C@@H]1CCN[C@@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085624332 179107442 /nfs/dbraw/zinc/10/74/42/179107442.db2.gz HVIDODIXTBRKFF-HZSPNIEDSA-N 1 3 254.418 2.264 10 0 CEAEHO C[C@@H]1CCN[C@@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCCO1 ZINC000085624332 179107444 /nfs/dbraw/zinc/10/74/44/179107444.db2.gz HVIDODIXTBRKFF-HZSPNIEDSA-N 1 3 254.418 2.264 10 0 CEAEHO Cc1nccn1CCN1CC2(CCCC2)[NH2+]CC[C@H]1C ZINC000085623231 179105911 /nfs/dbraw/zinc/10/59/11/179105911.db2.gz XCFDSGGPGNPPOM-CQSZACIVSA-N 1 3 276.428 2.188 10 0 CEAEHO Cc1nccn1CC[N@H+]1CC2(CCCC2)NCC[C@H]1C ZINC000085623231 179105913 /nfs/dbraw/zinc/10/59/13/179105913.db2.gz XCFDSGGPGNPPOM-CQSZACIVSA-N 1 3 276.428 2.188 10 0 CEAEHO Cc1nccn1CC[N@@H+]1CC2(CCCC2)NCC[C@H]1C ZINC000085623231 179105914 /nfs/dbraw/zinc/10/59/14/179105914.db2.gz XCFDSGGPGNPPOM-CQSZACIVSA-N 1 3 276.428 2.188 10 0 CEAEHO CCN1CCC[C@@H]([C@@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)C1 ZINC000085971336 179206454 /nfs/dbraw/zinc/20/64/54/179206454.db2.gz JNXHIWCFRNGHBY-QXSJWSMHSA-N 1 3 268.445 2.248 10 0 CEAEHO CC(C)C[C@H]1C[N@@H+]([C@@H]2CN3CCC2CC3)[C@H](C(C)C)CN1 ZINC000086182723 179248182 /nfs/dbraw/zinc/24/81/82/179248182.db2.gz NZPUTSGJLVVONJ-OKZBNKHCSA-N 1 3 293.499 2.425 10 0 CEAEHO CC(C)C[C@H]1C[N@H+]([C@@H]2CN3CCC2CC3)[C@H](C(C)C)CN1 ZINC000086182723 179248183 /nfs/dbraw/zinc/24/81/83/179248183.db2.gz NZPUTSGJLVVONJ-OKZBNKHCSA-N 1 3 293.499 2.425 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(CC)C[N@@H+]1[C@@H]1CCCN(CC)C1 ZINC000086225410 179253938 /nfs/dbraw/zinc/25/39/38/179253938.db2.gz UHJZKOZGAZMPMA-OAGGEKHMSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(CC)C[N@H+]1[C@@H]1CCCN(CC)C1 ZINC000086225410 179253939 /nfs/dbraw/zinc/25/39/39/179253939.db2.gz UHJZKOZGAZMPMA-OAGGEKHMSA-N 1 3 267.461 2.323 10 0 CEAEHO C[C@H]([C@@H]1CCCO1)[N@@H+]1CCCNC2(CCCC2)C1 ZINC000086287095 179264760 /nfs/dbraw/zinc/26/47/60/179264760.db2.gz BGLWGTDPGPQTDL-KGLIPLIRSA-N 1 3 252.402 2.162 10 0 CEAEHO C[C@H]([C@@H]1CCCO1)[N@H+]1CCCNC2(CCCC2)C1 ZINC000086287095 179264762 /nfs/dbraw/zinc/26/47/62/179264762.db2.gz BGLWGTDPGPQTDL-KGLIPLIRSA-N 1 3 252.402 2.162 10 0 CEAEHO C[C@H]([C@@H]1CCCO1)N1CCC[NH2+]C2(CCCC2)C1 ZINC000086287095 179264764 /nfs/dbraw/zinc/26/47/64/179264764.db2.gz BGLWGTDPGPQTDL-KGLIPLIRSA-N 1 3 252.402 2.162 10 0 CEAEHO CC[C@@H]1C[N@H+]([C@@H](C)CCN(C)C)[C@H](C(C)C)CN1 ZINC000086255874 179256537 /nfs/dbraw/zinc/25/65/37/179256537.db2.gz BYYASOWDHZFPHO-ZNMIVQPWSA-N 1 3 255.450 2.035 10 0 CEAEHO CC[C@@H]1C[N@@H+]([C@@H](C)CCN(C)C)[C@H](C(C)C)CN1 ZINC000086255874 179256539 /nfs/dbraw/zinc/25/65/39/179256539.db2.gz BYYASOWDHZFPHO-ZNMIVQPWSA-N 1 3 255.450 2.035 10 0 CEAEHO CCN[C@H]1CCCc2sc(N(C)CC[NH+](C)C)nc21 ZINC000086444193 179293612 /nfs/dbraw/zinc/29/36/12/179293612.db2.gz KRGVEQOHQKQEGI-NSHDSACASA-N 1 3 282.457 2.128 10 0 CEAEHO CN[C@H]1CCCc2sc(N(C)C[C@@H]3CC[N@H+](C)C3)nc21 ZINC000086444119 179293934 /nfs/dbraw/zinc/29/39/34/179293934.db2.gz WKTOVOLSYZGNKH-NEPJUHHUSA-N 1 3 294.468 2.128 10 0 CEAEHO CN[C@H]1CCCc2sc(N(C)C[C@@H]3CC[N@@H+](C)C3)nc21 ZINC000086444119 179293935 /nfs/dbraw/zinc/29/39/35/179293935.db2.gz WKTOVOLSYZGNKH-NEPJUHHUSA-N 1 3 294.468 2.128 10 0 CEAEHO CCN1CCC[C@@](CN)([N@@H+]2CCCC[C@@H]2C)CC1 ZINC000086846184 179355738 /nfs/dbraw/zinc/35/57/38/179355738.db2.gz OPJDMAAKSSQRCG-LSDHHAIUSA-N 1 3 253.434 2.064 10 0 CEAEHO CCN1CCC[C@@](CN)([N@H+]2CCCC[C@@H]2C)CC1 ZINC000086846184 179355739 /nfs/dbraw/zinc/35/57/39/179355739.db2.gz OPJDMAAKSSQRCG-LSDHHAIUSA-N 1 3 253.434 2.064 10 0 CEAEHO CCC[N@@H+]1CCC[C@H](NC[C@@H]2CCCCO2)CC1 ZINC000086843161 179352577 /nfs/dbraw/zinc/35/25/77/179352577.db2.gz ZUMYDPFNQZNYTG-GJZGRUSLSA-N 1 3 254.418 2.410 10 0 CEAEHO CCC[N@H+]1CCC[C@H](NC[C@@H]2CCCCO2)CC1 ZINC000086843161 179352579 /nfs/dbraw/zinc/35/25/79/179352579.db2.gz ZUMYDPFNQZNYTG-GJZGRUSLSA-N 1 3 254.418 2.410 10 0 CEAEHO CCCN1CCC[C@H]([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000086843161 179352580 /nfs/dbraw/zinc/35/25/80/179352580.db2.gz ZUMYDPFNQZNYTG-GJZGRUSLSA-N 1 3 254.418 2.410 10 0 CEAEHO CC[C@H]1CCC[C@](C[NH3+])(N(C)CCN(C)C)CC1 ZINC000086913667 179367232 /nfs/dbraw/zinc/36/72/32/179367232.db2.gz DUNMDIWITASUQK-GJZGRUSLSA-N 1 3 255.450 2.168 10 0 CEAEHO CC[C@H]1CCC[C@](CN)([N@H+](C)CCN(C)C)CC1 ZINC000086913667 179367233 /nfs/dbraw/zinc/36/72/33/179367233.db2.gz DUNMDIWITASUQK-GJZGRUSLSA-N 1 3 255.450 2.168 10 0 CEAEHO CC[C@H]1CCC[C@](CN)([N@@H+](C)CCN(C)C)CC1 ZINC000086913667 179367234 /nfs/dbraw/zinc/36/72/34/179367234.db2.gz DUNMDIWITASUQK-GJZGRUSLSA-N 1 3 255.450 2.168 10 0 CEAEHO CCCN1CCC[C@@H]([C@@H](C)[NH2+]CC2(O)CCCC2)C1 ZINC000087016891 179380913 /nfs/dbraw/zinc/38/09/13/179380913.db2.gz JNHUNOVWTSWMHJ-HUUCEWRRSA-N 1 3 268.445 2.392 10 0 CEAEHO CCC[N@@H+]1CCC[C@@H]([C@@H](C)NCC2(O)CCCC2)C1 ZINC000087016891 179380915 /nfs/dbraw/zinc/38/09/15/179380915.db2.gz JNHUNOVWTSWMHJ-HUUCEWRRSA-N 1 3 268.445 2.392 10 0 CEAEHO CCC[N@H+]1CCC[C@@H]([C@@H](C)NCC2(O)CCCC2)C1 ZINC000087016891 179380917 /nfs/dbraw/zinc/38/09/17/179380917.db2.gz JNHUNOVWTSWMHJ-HUUCEWRRSA-N 1 3 268.445 2.392 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[N@H+](CCOC)C(CC)CC ZINC000090566570 180006245 /nfs/dbraw/zinc/00/62/45/180006245.db2.gz OHLXFIMDKJQNKN-GOEBONIOSA-N 1 3 286.460 2.138 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[N@@H+](CCOC)C(CC)CC ZINC000090566570 180006246 /nfs/dbraw/zinc/00/62/46/180006246.db2.gz OHLXFIMDKJQNKN-GOEBONIOSA-N 1 3 286.460 2.138 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[NH2+]CC1(C)CCCC1 ZINC000090566998 180006746 /nfs/dbraw/zinc/00/67/46/180006746.db2.gz RZZORHQQTBMXJB-UONOGXRCSA-N 1 3 254.418 2.171 10 0 CEAEHO [NH3+][C@@H](CCNCCc1cscn1)c1ccccc1 ZINC000104445030 186005498 /nfs/dbraw/zinc/00/54/98/186005498.db2.gz AQHQMFVDKGEYGJ-AWEZNQCLSA-N 1 3 261.394 2.365 10 0 CEAEHO C[NH+](C)CC(C)(C)CNC[C@@H]1Cc2ccccc2O1 ZINC000090874133 180049869 /nfs/dbraw/zinc/04/98/69/180049869.db2.gz VGLULTWFQLOLTQ-AWEZNQCLSA-N 1 3 262.397 2.168 10 0 CEAEHO CCCC1(CN2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]CC1 ZINC000090908674 180062264 /nfs/dbraw/zinc/06/22/64/180062264.db2.gz SZCBUDAZXONVLH-OKILXGFUSA-N 1 3 252.402 2.020 10 0 CEAEHO C[C@H]1c2ccsc2CC[N@H+]1CC[C@@H]1CNCCO1 ZINC000091313971 180132938 /nfs/dbraw/zinc/13/29/38/180132938.db2.gz LGGYNANZIZRQFU-NWDGAFQWSA-N 1 3 266.410 2.046 10 0 CEAEHO C[C@H]1c2ccsc2CC[N@@H+]1CC[C@@H]1CNCCO1 ZINC000091313971 180132939 /nfs/dbraw/zinc/13/29/39/180132939.db2.gz LGGYNANZIZRQFU-NWDGAFQWSA-N 1 3 266.410 2.046 10 0 CEAEHO CCCN1CCN(C[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000091362116 180141932 /nfs/dbraw/zinc/14/19/32/180141932.db2.gz FYFCHZSCLDYPHA-IKGGRYGDSA-N 1 3 279.472 2.325 10 0 CEAEHO C[N@H+](CC1CC(O)C1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1CN ZINC000091451681 180158606 /nfs/dbraw/zinc/15/86/06/180158606.db2.gz RTZKLCHSGJRDII-FSXGRMEGSA-N 1 3 282.472 2.479 10 0 CEAEHO C[N@@H+](CC1CC(O)C1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1CN ZINC000091451681 180158607 /nfs/dbraw/zinc/15/86/07/180158607.db2.gz RTZKLCHSGJRDII-FSXGRMEGSA-N 1 3 282.472 2.479 10 0 CEAEHO CC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1CN(C)CC1CC(O)C1 ZINC000091498833 180173767 /nfs/dbraw/zinc/17/37/67/180173767.db2.gz CGNFCXIMUYEBBZ-GYTBAZASSA-N 1 3 282.472 2.494 10 0 CEAEHO CC[C@](C)(C[NH2+]C(C)(C)C)CN(C)CC1CC(O)C1 ZINC000091499469 180173791 /nfs/dbraw/zinc/17/37/91/180173791.db2.gz ZTDXMDKFESRLRU-ZBCRRDGASA-N 1 3 270.461 2.494 10 0 CEAEHO COc1ccc([C@H](N)[C@@H](C)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091392840 180145680 /nfs/dbraw/zinc/14/56/80/180145680.db2.gz QAJJZGPPPCHWNB-UKPHBRMFSA-N 1 3 291.439 2.110 10 0 CEAEHO CC[NH2+][C@H](C)C(C)(C)CN1CCN(C(C)C)CC1 ZINC000091402946 180147087 /nfs/dbraw/zinc/14/70/87/180147087.db2.gz VURSJKAYJREGEC-CQSZACIVSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[C@H](C)n1ccc(C[C@H]([NH3+])CCN(CC)CC)n1 ZINC000091715733 180232026 /nfs/dbraw/zinc/23/20/26/180232026.db2.gz UUQMKSAIEAAAIF-UONOGXRCSA-N 1 3 266.433 2.456 10 0 CEAEHO CCc1nn(C)c(C[C@@H](N)CC[NH+](CC)CC)c1Cl ZINC000091715771 180232343 /nfs/dbraw/zinc/23/23/43/180232343.db2.gz PBEWULQJWPTSEU-NSHDSACASA-N 1 3 286.851 2.238 10 0 CEAEHO Cc1cc(C)c(C[C@H](N)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)c1 ZINC000091720571 180236112 /nfs/dbraw/zinc/23/61/12/180236112.db2.gz CUOIDXFBKBRMEI-BPQIPLTHSA-N 1 3 288.435 2.345 10 0 CEAEHO Cc1cc(C)c(C[C@H](N)[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(C)c1 ZINC000091720571 180236114 /nfs/dbraw/zinc/23/61/14/180236114.db2.gz CUOIDXFBKBRMEI-BPQIPLTHSA-N 1 3 288.435 2.345 10 0 CEAEHO C[NH2+]C1CCC(N(C)CC(=O)Nc2ccc(C)cc2)CC1 ZINC000091870595 180277180 /nfs/dbraw/zinc/27/71/80/180277180.db2.gz UTXXPMIZAXAWBX-UHFFFAOYSA-N 1 3 289.423 2.396 10 0 CEAEHO C[NH2+]C1CCC(N(C)Cc2c(C)noc2C)CC1 ZINC000091871498 180277201 /nfs/dbraw/zinc/27/72/01/180277201.db2.gz UCNDZBNCGMOHBX-UHFFFAOYSA-N 1 3 251.374 2.254 10 0 CEAEHO C[NH2+]C1CCC(N(C)Cc2cc(C)c(C(=O)OC)o2)CC1 ZINC000091873143 180278151 /nfs/dbraw/zinc/27/81/51/180278151.db2.gz CZZJYXFKBPDSLE-UHFFFAOYSA-N 1 3 294.395 2.337 10 0 CEAEHO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2cccc(CN3CCCC3)c2)C1 ZINC000092202931 180343346 /nfs/dbraw/zinc/34/33/46/180343346.db2.gz XZMGMELAFRDRNV-LSDHHAIUSA-N 1 3 285.391 2.124 10 0 CEAEHO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2cccc(CN3CCCC3)c2)C1 ZINC000092202932 180343514 /nfs/dbraw/zinc/34/35/14/180343514.db2.gz XZMGMELAFRDRNV-HUUCEWRRSA-N 1 3 285.391 2.124 10 0 CEAEHO C[C@H]1C[N@H+](C[C@@H]2Cc3ccccc3S2)CCCN1 ZINC000092273073 180356370 /nfs/dbraw/zinc/35/63/70/180356370.db2.gz MJNMQTLIMPFZTE-JSGCOSHPSA-N 1 3 262.422 2.387 10 0 CEAEHO C[C@H]1C[N@@H+](C[C@@H]2Cc3ccccc3S2)CCCN1 ZINC000092273073 180356372 /nfs/dbraw/zinc/35/63/72/180356372.db2.gz MJNMQTLIMPFZTE-JSGCOSHPSA-N 1 3 262.422 2.387 10 0 CEAEHO CC[NH+](CC)CCCNC1=N[C@@H](C(C)C)CS1 ZINC000092402147 180377295 /nfs/dbraw/zinc/37/72/95/180377295.db2.gz CJUWMJZRUVGCGN-GFCCVEGCSA-N 1 3 257.447 2.435 10 0 CEAEHO CCNc1ccnc(CN2CC[C@H]([NH+](CC)CC)C2)c1 ZINC000092419132 180382633 /nfs/dbraw/zinc/38/26/33/180382633.db2.gz ULMGWOJFLLYQGF-INIZCTEOSA-N 1 3 276.428 2.430 10 0 CEAEHO CCN(CC)CCc1noc([C@@H](C(C)C)[C@H](C)[NH3+])n1 ZINC000109496061 186256541 /nfs/dbraw/zinc/25/65/41/186256541.db2.gz MQIGBJAMLSZEFX-AAEUAGOBSA-N 1 3 268.405 2.041 10 0 CEAEHO CCN(CC)CCc1noc([C@@H](C(C)C)[C@H](C)[NH2+]C)n1 ZINC000109496313 186256884 /nfs/dbraw/zinc/25/68/84/186256884.db2.gz NAVIUJNMXOSSIJ-JSGCOSHPSA-N 1 3 282.432 2.301 10 0 CEAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCCOC1 ZINC000109550420 186261575 /nfs/dbraw/zinc/26/15/75/186261575.db2.gz GOWFPMTXKRWNAZ-JALIKCBVSA-N 1 3 252.402 2.160 10 0 CEAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCOC1 ZINC000109550420 186261576 /nfs/dbraw/zinc/26/15/76/186261576.db2.gz GOWFPMTXKRWNAZ-JALIKCBVSA-N 1 3 252.402 2.160 10 0 CEAEHO CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H]1CCCOC1 ZINC000109550420 186261578 /nfs/dbraw/zinc/26/15/78/186261578.db2.gz GOWFPMTXKRWNAZ-JALIKCBVSA-N 1 3 252.402 2.160 10 0 CEAEHO CCC[C@@H](C)CN1CCN([C@@H](C[NH3+])CCC)CC1 ZINC000109461717 186254489 /nfs/dbraw/zinc/25/44/89/186254489.db2.gz MDRULEOIQKWAQW-HUUCEWRRSA-N 1 3 255.450 2.168 10 0 CEAEHO C[N@H+](CC1CCCC1)C[C@@]1(CNC2CC2)CCOC1 ZINC000110841817 186328617 /nfs/dbraw/zinc/32/86/17/186328617.db2.gz YFQFVGVCDILDFX-INIZCTEOSA-N 1 3 266.429 2.267 10 0 CEAEHO C[N@@H+](CC1CCCC1)C[C@@]1(CNC2CC2)CCOC1 ZINC000110841817 186328619 /nfs/dbraw/zinc/32/86/19/186328619.db2.gz YFQFVGVCDILDFX-INIZCTEOSA-N 1 3 266.429 2.267 10 0 CEAEHO CN(CC1CCCC1)C[C@@]1(C[NH2+]C2CC2)CCOC1 ZINC000110841817 186328620 /nfs/dbraw/zinc/32/86/20/186328620.db2.gz YFQFVGVCDILDFX-INIZCTEOSA-N 1 3 266.429 2.267 10 0 CEAEHO Cc1ccc([C@@H]([C@H](C)[NH3+])N2CCN(C)C(C)(C)C2)cc1 ZINC000110704648 186315047 /nfs/dbraw/zinc/31/50/47/186315047.db2.gz GQMPDXLOUSKUNO-GOEBONIOSA-N 1 3 275.440 2.409 10 0 CEAEHO Cc1cc(F)ccc1[C@@H](C[NH3+])N1CCN(C)C(C)(C)C1 ZINC000110711656 186315482 /nfs/dbraw/zinc/31/54/82/186315482.db2.gz ICOKAIXEGUKUTK-OAHLLOKOSA-N 1 3 279.403 2.160 10 0 CEAEHO Cc1ccc([C@H]([NH3+])[C@@H](C)N2CCN(C)C(C)(C)C2)cc1 ZINC000110716404 186315609 /nfs/dbraw/zinc/31/56/09/186315609.db2.gz ITWLNTWQYGAOBM-GDBMZVCRSA-N 1 3 275.440 2.409 10 0 CEAEHO CC[C@H]1CN([C@@H](C[NH3+])c2ccc(OC)c(C)c2)CCN1C ZINC000110710111 186316303 /nfs/dbraw/zinc/31/63/03/186316303.db2.gz RXAGXXIJUPPLDH-HOTGVXAUSA-N 1 3 291.439 2.029 10 0 CEAEHO CC[NH2+]Cc1ccccc1CN1CCN(C)[C@@H](CC)C1 ZINC000110754505 186320340 /nfs/dbraw/zinc/32/03/40/186320340.db2.gz IXESQUUNHSCCBH-KRWDZBQOSA-N 1 3 275.440 2.322 10 0 CEAEHO CCCCC[NH2+]C[C@H](C)N1CCN(C)C(C)(C)C1 ZINC000110757945 186322068 /nfs/dbraw/zinc/32/20/68/186322068.db2.gz FZJBOIYNFNXNPH-AWEZNQCLSA-N 1 3 255.450 2.181 10 0 CEAEHO CC[C@@H]1CN(CC[NH2+]CC2CCCCC2)CCN1C ZINC000110757382 186322230 /nfs/dbraw/zinc/32/22/30/186322230.db2.gz AEXKLMADURFCGZ-MRXNPFEDSA-N 1 3 267.461 2.182 10 0 CEAEHO Cc1nc(N(C)CCN(C)C)sc1C[NH2+]CC(C)C ZINC000111151764 186361222 /nfs/dbraw/zinc/36/12/22/186361222.db2.gz NYPYOPQGXQPNRK-UHFFFAOYSA-N 1 3 284.473 2.195 10 0 CEAEHO CC[NH+](CC)Cc1ccc(CNCC(OC)OC)cc1 ZINC000111111882 186354016 /nfs/dbraw/zinc/35/40/16/186354016.db2.gz DTDODBZYIXPAMT-UHFFFAOYSA-N 1 3 280.412 2.237 10 0 CEAEHO C[NH2+][C@@H](c1ccccc1)[C@H](C(C)C)N(C)CCN(C)C ZINC000111134231 186356310 /nfs/dbraw/zinc/35/63/10/186356310.db2.gz MSUKMPGXKMOULC-IRXDYDNUSA-N 1 3 277.456 2.465 10 0 CEAEHO CC[C@@H]([NH3+])[C@H](c1cccc(F)c1)N(C)CCN(C)C ZINC000111130000 186356603 /nfs/dbraw/zinc/35/66/03/186356603.db2.gz XKOQBFSEBYUZBG-CABCVRRESA-N 1 3 267.392 2.098 10 0 CEAEHO CC(C)Oc1ccc([C@H](N)CN(C)CCC[NH+](C)C)cc1 ZINC000111136689 186356888 /nfs/dbraw/zinc/35/68/88/186356888.db2.gz RPTPVEHVJNOYLI-QGZVFWFLSA-N 1 3 293.455 2.357 10 0 CEAEHO C[NH2+][C@H]1c2ccccc2CCC[C@H]1N(C)CCN(C)C ZINC000111134397 186357149 /nfs/dbraw/zinc/35/71/49/186357149.db2.gz XNVAZCHIEBXKDA-SJORKVTESA-N 1 3 275.440 2.145 10 0 CEAEHO CCc1ccc([C@H]([NH2+]C)[C@@H](C)N(C)CCN(C)C)cc1 ZINC000111134434 186357662 /nfs/dbraw/zinc/35/76/62/186357662.db2.gz XPRMBVKBTXSFHI-RHSMWYFYSA-N 1 3 277.456 2.391 10 0 CEAEHO CCc1ccc([C@H]([NH2+]C)[C@H](C)N(C)CCN(C)C)cc1 ZINC000111134440 186357688 /nfs/dbraw/zinc/35/76/88/186357688.db2.gz XPRMBVKBTXSFHI-WMLDXEAASA-N 1 3 277.456 2.391 10 0 CEAEHO Cc1cc(CN(C)CCC[NH+](C)C)oc1CNC1CC1 ZINC000111150255 186359801 /nfs/dbraw/zinc/35/98/01/186359801.db2.gz FGLZEYFQGAJJJI-UHFFFAOYSA-N 1 3 279.428 2.224 10 0 CEAEHO CC[C@@]1(C[N@H+](C)CC2CCOCC2)CCCNC1 ZINC000111179320 186366848 /nfs/dbraw/zinc/36/68/48/186366848.db2.gz QXSORKVTOFXBFF-OAHLLOKOSA-N 1 3 254.418 2.125 10 0 CEAEHO CC[C@@]1(C[N@@H+](C)CC2CCOCC2)CCCNC1 ZINC000111179320 186366850 /nfs/dbraw/zinc/36/68/50/186366850.db2.gz QXSORKVTOFXBFF-OAHLLOKOSA-N 1 3 254.418 2.125 10 0 CEAEHO CC[NH2+]C[C@@]1(CN(C)C[C@@H](C)CC)CCCOC1 ZINC000111324955 186399146 /nfs/dbraw/zinc/39/91/46/186399146.db2.gz DOEFDOWWUIXJGT-LSDHHAIUSA-N 1 3 256.434 2.371 10 0 CEAEHO CCNC[C@@]1(C[N@H+](C)C[C@@H](C)CC)CCCOC1 ZINC000111324955 186399148 /nfs/dbraw/zinc/39/91/48/186399148.db2.gz DOEFDOWWUIXJGT-LSDHHAIUSA-N 1 3 256.434 2.371 10 0 CEAEHO CCNC[C@@]1(C[N@@H+](C)C[C@@H](C)CC)CCCOC1 ZINC000111324955 186399149 /nfs/dbraw/zinc/39/91/49/186399149.db2.gz DOEFDOWWUIXJGT-LSDHHAIUSA-N 1 3 256.434 2.371 10 0 CEAEHO CC[NH2+]C[C@@]1(CN(C)CCC(C)C)CCCOC1 ZINC000111328317 186399548 /nfs/dbraw/zinc/39/95/48/186399548.db2.gz IKHRBRKPNHPSLN-OAHLLOKOSA-N 1 3 256.434 2.371 10 0 CEAEHO CCNC[C@@]1(C[N@H+](C)CCC(C)C)CCCOC1 ZINC000111328317 186399550 /nfs/dbraw/zinc/39/95/50/186399550.db2.gz IKHRBRKPNHPSLN-OAHLLOKOSA-N 1 3 256.434 2.371 10 0 CEAEHO CCNC[C@@]1(C[N@@H+](C)CCC(C)C)CCCOC1 ZINC000111328317 186399551 /nfs/dbraw/zinc/39/95/51/186399551.db2.gz IKHRBRKPNHPSLN-OAHLLOKOSA-N 1 3 256.434 2.371 10 0 CEAEHO CCC(CC)[N@H+](CCOC)C[C@]1(CNC)CCCOC1 ZINC000111328262 186399670 /nfs/dbraw/zinc/39/96/70/186399670.db2.gz XTHRVOGHNPLTBL-MRXNPFEDSA-N 1 3 286.460 2.140 10 0 CEAEHO CCC(CC)[N@@H+](CCOC)C[C@]1(CNC)CCCOC1 ZINC000111328262 186399671 /nfs/dbraw/zinc/39/96/71/186399671.db2.gz XTHRVOGHNPLTBL-MRXNPFEDSA-N 1 3 286.460 2.140 10 0 CEAEHO CCC(CC)N(CCOC)C[C@]1(C[NH2+]C)CCCOC1 ZINC000111328262 186399674 /nfs/dbraw/zinc/39/96/74/186399674.db2.gz XTHRVOGHNPLTBL-MRXNPFEDSA-N 1 3 286.460 2.140 10 0 CEAEHO CNC[C@]1(C[N@H+](CC2CC2)C(C)C)CCCOC1 ZINC000111328290 186399820 /nfs/dbraw/zinc/39/98/20/186399820.db2.gz XQBTWWKZVYMABM-HNNXBMFYSA-N 1 3 254.418 2.123 10 0 CEAEHO CNC[C@]1(C[N@@H+](CC2CC2)C(C)C)CCCOC1 ZINC000111328290 186399821 /nfs/dbraw/zinc/39/98/21/186399821.db2.gz XQBTWWKZVYMABM-HNNXBMFYSA-N 1 3 254.418 2.123 10 0 CEAEHO CCCNCc1ccoc1CN(C)CCC[NH+](C)C ZINC000111239057 186374461 /nfs/dbraw/zinc/37/44/61/186374461.db2.gz FHNSKWQKCFWZKJ-UHFFFAOYSA-N 1 3 267.417 2.163 10 0 CEAEHO COc1cccc([C@H](N)c2cccn2CC[NH+](C)C)c1 ZINC000011848784 361366624 /nfs/dbraw/zinc/36/66/24/361366624.db2.gz QPBNBKFJMRTRIN-INIZCTEOSA-N 1 3 273.380 2.106 10 0 CEAEHO COc1ccc(CC[NH2+][C@@H](C)[C@H]2CCCNC2)cc1 ZINC000580289942 366776367 /nfs/dbraw/zinc/77/63/67/366776367.db2.gz NVLAMCCPLILZKJ-ZFWWWQNUSA-N 1 3 262.397 2.215 10 0 CEAEHO COc1ccc(CCN[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000580289942 366776372 /nfs/dbraw/zinc/77/63/72/366776372.db2.gz NVLAMCCPLILZKJ-ZFWWWQNUSA-N 1 3 262.397 2.215 10 0 CEAEHO CCC[N@H+](CCCN)[C@@H]1CCc2c(O)cccc2C1 ZINC000027998583 361665074 /nfs/dbraw/zinc/66/50/74/361665074.db2.gz STZVDNIQZPXBQC-CQSZACIVSA-N 1 3 262.397 2.310 10 0 CEAEHO CCC[N@@H+](CCCN)[C@@H]1CCc2c(O)cccc2C1 ZINC000027998583 361665079 /nfs/dbraw/zinc/66/50/79/361665079.db2.gz STZVDNIQZPXBQC-CQSZACIVSA-N 1 3 262.397 2.310 10 0 CEAEHO Cc1cccc(OCCN[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000583487549 367056263 /nfs/dbraw/zinc/05/62/63/367056263.db2.gz FJVJHBVDYKXREQ-HUUCEWRRSA-N 1 3 262.397 2.352 10 0 CEAEHO Cc1cccc(OCCN[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000583487548 367056351 /nfs/dbraw/zinc/05/63/51/367056351.db2.gz FJVJHBVDYKXREQ-GJZGRUSLSA-N 1 3 262.397 2.352 10 0 CEAEHO c1ccc(COC2CC(N[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000583928748 367116008 /nfs/dbraw/zinc/11/60/08/367116008.db2.gz HWWQNKJAZANYKC-GTPINHCMSA-N 1 3 274.408 2.466 10 0 CEAEHO c1ccc(COC2CC([NH2+][C@H]3CCCNCC3)C2)cc1 ZINC000583928748 367116015 /nfs/dbraw/zinc/11/60/15/367116015.db2.gz HWWQNKJAZANYKC-GTPINHCMSA-N 1 3 274.408 2.466 10 0 CEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000245428803 370818742 /nfs/dbraw/zinc/81/87/42/370818742.db2.gz JMLLLDRTXNURDW-XUWVNRHRSA-N 1 3 295.471 2.190 10 0 CEAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000245428803 370818747 /nfs/dbraw/zinc/81/87/47/370818747.db2.gz JMLLLDRTXNURDW-XUWVNRHRSA-N 1 3 295.471 2.190 10 0 CEAEHO CN(Cc1ccc(-n2ccnc2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000231460741 370480977 /nfs/dbraw/zinc/48/09/77/370480977.db2.gz KPPSZDOOOFDIBI-INIZCTEOSA-N 1 3 284.407 2.446 10 0 CEAEHO C[C@@H]1C[C@@H]([NH2+][C@H](CN(C)C)c2ccccc2)CCN1C ZINC000247970012 371151643 /nfs/dbraw/zinc/15/16/43/371151643.db2.gz IXNRRRANGGKUPG-HYVNUMGLSA-N 1 3 275.440 2.362 10 0 CEAEHO C[C@@H]1CCN(C2CCN(Cc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000251636450 371410110 /nfs/dbraw/zinc/41/01/10/371410110.db2.gz ITENVVWXTWJWCX-CRAIPNDOSA-N 1 3 287.451 2.320 10 0 CEAEHO COc1cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1C ZINC000262003783 371797252 /nfs/dbraw/zinc/79/72/52/371797252.db2.gz UKEYCQTYCHSDNV-KKUMJFAQSA-N 1 3 260.381 2.173 10 0 CEAEHO CCn1nc(C)c([C@H](C)NCC2=CC[N@H+](C)CC2)c1C ZINC000344320892 217147687 /nfs/dbraw/zinc/14/76/87/217147687.db2.gz IVNDLKBXSRFHHI-LBPRGKRZSA-N 1 3 276.428 2.432 10 0 CEAEHO CCn1nc(C)c([C@H](C)NCC2=CC[N@@H+](C)CC2)c1C ZINC000344320892 217147689 /nfs/dbraw/zinc/14/76/89/217147689.db2.gz IVNDLKBXSRFHHI-LBPRGKRZSA-N 1 3 276.428 2.432 10 0 CEAEHO CCC1(CN2CCC[C@]3(CC[NH2+]C3)C2)CCOCC1 ZINC000334256159 206265281 /nfs/dbraw/zinc/26/52/81/206265281.db2.gz MCDDRFLLSQQCPT-MRXNPFEDSA-N 1 3 266.429 2.269 10 0 CEAEHO C[C@@H](NCCN(C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000520793842 379504273 /nfs/dbraw/zinc/50/42/73/379504273.db2.gz LMRGSNMODHOYFS-NVXWUHKLSA-N 1 3 275.440 2.096 10 0 CEAEHO CCN(CC)CCN1C(N)=[NH+]C[C@@]12CCCC(C)(C)C2 ZINC000093382371 184669395 /nfs/dbraw/zinc/66/93/95/184669395.db2.gz LMDNVVIRZLTCPT-INIZCTEOSA-N 1 3 280.460 2.298 10 0 CEAEHO O[C@@H]1CCCC[C@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000305139247 285314143 /nfs/dbraw/zinc/31/41/43/285314143.db2.gz PNYZOGUFDSWFBA-HZPDHXFCSA-N 1 3 266.429 2.287 10 0 CEAEHO CC[C@](C)(N)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000094236473 184767761 /nfs/dbraw/zinc/76/77/61/184767761.db2.gz ABRPYTBBLBTGCF-INIZCTEOSA-N 1 3 295.471 2.419 10 0 CEAEHO [NH3+][C@@H]1C=C[C@@H](CN2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000092208960 135076305 /nfs/dbraw/zinc/07/63/05/135076305.db2.gz ICNRQDPZXQLCJF-UKRRQHHQSA-N 1 3 291.826 2.365 10 0 CEAEHO C[C@@H](C[C@@H]1CCC[NH2+]1)NC1CCN(c2ccccn2)CC1 ZINC000093463209 135080877 /nfs/dbraw/zinc/08/08/77/135080877.db2.gz IBJAQKHMIZMEPH-HOCLYGCPSA-N 1 3 288.439 2.171 10 0 CEAEHO C[NH2+]Cc1ccccc1N1CCN2CCCC[C@@H]2C1 ZINC000094439994 135088020 /nfs/dbraw/zinc/08/80/20/135088020.db2.gz WRGFYQJYHUKNFA-OAHLLOKOSA-N 1 3 259.397 2.081 10 0 CEAEHO C[C@@H]1CN2CCCC[C@@H]2CN1c1ccccc1CC[NH3+] ZINC000094444593 135088620 /nfs/dbraw/zinc/08/86/20/135088620.db2.gz TYBDXCPPGPJQLH-GDBMZVCRSA-N 1 3 273.424 2.251 10 0 CEAEHO O[C@@H]1CCC[C@H](C[NH+]2CCC(N3CCCCC3)CC2)C1 ZINC000383358400 395186094 /nfs/dbraw/zinc/18/60/94/395186094.db2.gz DGMRTFVEGUSYAA-DOTOQJQBSA-N 1 3 280.456 2.488 10 0 CEAEHO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(CN)c1 ZINC000022152210 171359552 /nfs/dbraw/zinc/35/95/52/171359552.db2.gz TXESFCQRZQTXGH-ZDUSSCGKSA-N 1 3 275.396 2.348 10 0 CEAEHO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(CN)c1 ZINC000022152210 171359553 /nfs/dbraw/zinc/35/95/53/171359553.db2.gz TXESFCQRZQTXGH-ZDUSSCGKSA-N 1 3 275.396 2.348 10 0 CEAEHO COc1cc(C[NH2+]C(C)C)ccc1OCCN(C)C ZINC000032114715 171708356 /nfs/dbraw/zinc/70/83/56/171708356.db2.gz JLBCCXPQNJBCJY-UHFFFAOYSA-N 1 3 266.385 2.134 10 0 CEAEHO CCN1CCC[C@H]([C@@H](C)[NH2+]CC(C)(C)N(C)C)C1 ZINC000037220645 173039224 /nfs/dbraw/zinc/03/92/24/173039224.db2.gz KHXZLXPDXNZXOP-KGLIPLIRSA-N 1 3 255.450 2.037 10 0 CEAEHO CCN(CC)[C@H](CN[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043323928 175006568 /nfs/dbraw/zinc/00/65/68/175006568.db2.gz DRKVWFFCMZRCCB-DLBZAZTESA-N 1 3 275.440 2.411 10 0 CEAEHO CC[C@@H]([NH3+])[C@@H](c1ccccn1)N1CCN(C(C)(C)C)CC1 ZINC000043340028 175013742 /nfs/dbraw/zinc/01/37/42/175013742.db2.gz UYGQAYURGMTQDQ-ZBFHGGJFSA-N 1 3 290.455 2.276 10 0 CEAEHO CC[NH2+][C@@H]1c2ccccc2C[C@H]1N(C)C1CCN(C)CC1 ZINC000043815351 175112175 /nfs/dbraw/zinc/11/21/75/175112175.db2.gz ASIDSLZKTLAGCK-QZTJIDSGSA-N 1 3 287.451 2.288 10 0 CEAEHO C[NH2+][C@@H]1c2ccccc2CC[C@H]1N(C)C1CCN(C)CC1 ZINC000043815264 175112633 /nfs/dbraw/zinc/11/26/33/175112633.db2.gz YLQUCCQMXWAAPQ-QZTJIDSGSA-N 1 3 287.451 2.288 10 0 CEAEHO CC[NH2+][C@H](c1ccccc1)[C@H](C)N1CCCN(C)CC1 ZINC000043818310 175113134 /nfs/dbraw/zinc/11/31/34/175113134.db2.gz ZQCAMCNAHSJPHR-RDJZCZTQSA-N 1 3 275.440 2.363 10 0 CEAEHO C[NH2+][C@@H](CN1CCN(C(C)(C)C)CC1)c1ccccc1 ZINC000043965434 175126559 /nfs/dbraw/zinc/12/65/59/175126559.db2.gz TWBUVPDGEUFYGA-INIZCTEOSA-N 1 3 275.440 2.363 10 0 CEAEHO C[NH2+][C@@H]1CCCCC[C@@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965467 175127251 /nfs/dbraw/zinc/12/72/51/175127251.db2.gz GZMQWUMCLDWLJS-CABCVRRESA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@H]1CCC[C@](CN)([N@H+](C)CCCN(C)C)C1 ZINC000071124987 176035405 /nfs/dbraw/zinc/03/54/05/176035405.db2.gz MEXUIRHKVXDQSD-GJZGRUSLSA-N 1 3 255.450 2.168 10 0 CEAEHO CC[C@H]1CCC[C@](CN)([N@@H+](C)CCCN(C)C)C1 ZINC000071124987 176035406 /nfs/dbraw/zinc/03/54/06/176035406.db2.gz MEXUIRHKVXDQSD-GJZGRUSLSA-N 1 3 255.450 2.168 10 0 CEAEHO CN(CCN1CC[NH2+]CC1)[C@@H]1CCSc2ccccc21 ZINC000071148849 176044360 /nfs/dbraw/zinc/04/43/60/176044360.db2.gz MQQCAYDWXUNTFF-OAHLLOKOSA-N 1 3 291.464 2.061 10 0 CEAEHO CC[C@@H]1CCCC[C@]1(C[NH3+])N(CCOC)[C@@H](C)COC ZINC000071161955 176046322 /nfs/dbraw/zinc/04/63/22/176046322.db2.gz HYZQBFNCZDTOBG-ARFHVFGLSA-N 1 3 286.460 2.267 10 0 CEAEHO CC[C@@H]1CCCC[C@]1(C[NH3+])N1CCN(C(C)C)CC1 ZINC000071161673 176046389 /nfs/dbraw/zinc/04/63/89/176046389.db2.gz VVDXPDZVMUIMFV-HZPDHXFCSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@@H]1CCCC[C@]1(CN)[NH+]1CCN(C(C)C)CC1 ZINC000071161673 176046390 /nfs/dbraw/zinc/04/63/90/176046390.db2.gz VVDXPDZVMUIMFV-HZPDHXFCSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@H]1CCCC[C@@]1(CN)[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000071162213 176046600 /nfs/dbraw/zinc/04/66/00/176046600.db2.gz HTRRETKXEXMOSI-ULQDDVLXSA-N 1 3 279.472 2.454 10 0 CEAEHO CC[C@H]1CCCC[C@@]1(CN)[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000071162213 176046602 /nfs/dbraw/zinc/04/66/02/176046602.db2.gz HTRRETKXEXMOSI-ULQDDVLXSA-N 1 3 279.472 2.454 10 0 CEAEHO CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](CN)c1ccc(Cl)c(F)c1 ZINC000071188453 176063067 /nfs/dbraw/zinc/06/30/67/176063067.db2.gz ILURUCSGTVNLHA-ABAIWWIYSA-N 1 3 299.821 2.362 10 0 CEAEHO CN(C[C@@H]1CC[N@@H+](C)C1)[C@@H](CN)c1ccc(Cl)c(F)c1 ZINC000071188453 176063069 /nfs/dbraw/zinc/06/30/69/176063069.db2.gz ILURUCSGTVNLHA-ABAIWWIYSA-N 1 3 299.821 2.362 10 0 CEAEHO Cc1ccc([C@@H](O)[C@@H](C)N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071190634 176067531 /nfs/dbraw/zinc/06/75/31/176067531.db2.gz JCXQXWZLTWSLCL-INMHGKMJSA-N 1 3 276.424 2.300 10 0 CEAEHO Cc1ccc([C@@H](O)[C@@H](C)N(C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071190634 176067532 /nfs/dbraw/zinc/06/75/32/176067532.db2.gz JCXQXWZLTWSLCL-INMHGKMJSA-N 1 3 276.424 2.300 10 0 CEAEHO CCOC(=O)CCCCC[NH2+]C[C@H]1CCN(CC)C1 ZINC000071293562 176111724 /nfs/dbraw/zinc/11/17/24/176111724.db2.gz LPSDOZZVHBQPKM-CQSZACIVSA-N 1 3 270.417 2.041 10 0 CEAEHO CC[NH2+]Cc1ccoc1CN1CCC(COC)CC1 ZINC000078439149 177341447 /nfs/dbraw/zinc/34/14/47/177341447.db2.gz FZROMYARLDEKNU-UHFFFAOYSA-N 1 3 266.385 2.248 10 0 CEAEHO CC1(C)[C@H](O)C[C@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000336314857 276165380 /nfs/dbraw/zinc/16/53/80/276165380.db2.gz FEKVLIHMRZZICB-HUUCEWRRSA-N 1 3 266.429 2.142 10 0 CEAEHO CC1(C)[C@H](O)C[C@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000336314857 276165381 /nfs/dbraw/zinc/16/53/81/276165381.db2.gz FEKVLIHMRZZICB-HUUCEWRRSA-N 1 3 266.429 2.142 10 0 CEAEHO CCC[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)N(C)C ZINC000245663748 276268982 /nfs/dbraw/zinc/26/89/82/276268982.db2.gz IGPHWIWWAMIUNK-CABCVRRESA-N 1 3 283.460 2.097 10 0 CEAEHO CCC[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)N(C)C ZINC000245663748 276268983 /nfs/dbraw/zinc/26/89/83/276268983.db2.gz IGPHWIWWAMIUNK-CABCVRRESA-N 1 3 283.460 2.097 10 0 CEAEHO Cc1cnn(CCN[C@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000235468118 293002929 /nfs/dbraw/zinc/00/29/29/293002929.db2.gz SPCHNZMMKRYBJC-CABCVRRESA-N 1 3 264.417 2.092 10 0 CEAEHO CCC[C@H](C(=O)NCCCC[NH+]1CCC(C)CC1)N(C)C ZINC000161598230 297446768 /nfs/dbraw/zinc/44/67/68/297446768.db2.gz JZWIYOMICRNMCW-MRXNPFEDSA-N 1 3 297.487 2.345 10 0 CEAEHO CC(C)CN1CCN(CC[NH2+]C2CCCCC2)CC1 ZINC000055075824 519726257 /nfs/dbraw/zinc/72/62/57/519726257.db2.gz OVLUGTOUBKUHKL-UHFFFAOYSA-N 1 3 267.461 2.182 10 0 CEAEHO CC(C)[C@H](C[NH2+]C(C)(C)C)N1CCCN(C)CC1 ZINC000052424055 519815854 /nfs/dbraw/zinc/81/58/54/519815854.db2.gz MIGRWSNJVLZKLY-AWEZNQCLSA-N 1 3 255.450 2.037 10 0 CEAEHO CCNCc1cc(COCC[NH+]2CCCC2)oc1C ZINC000052670179 519991365 /nfs/dbraw/zinc/99/13/65/519991365.db2.gz NVKSIGXWTWZPHR-UHFFFAOYSA-N 1 3 266.385 2.310 10 0 CEAEHO CCC(C)(C)[N@H+](C)CCCC[C@@](C)(NC1CC1)C(N)=O ZINC000069446662 521300924 /nfs/dbraw/zinc/30/09/24/521300924.db2.gz GXJKWRFMCSYURE-MRXNPFEDSA-N 1 3 283.460 2.273 10 0 CEAEHO CCC(C)(C)[N@@H+](C)CCCC[C@@](C)(NC1CC1)C(N)=O ZINC000069446662 521300936 /nfs/dbraw/zinc/30/09/36/521300936.db2.gz GXJKWRFMCSYURE-MRXNPFEDSA-N 1 3 283.460 2.273 10 0 CEAEHO CCC(C)(C)[N@H+](C)C1(CN)CCN(C(C)C)CC1 ZINC000069429728 521301071 /nfs/dbraw/zinc/30/10/71/521301071.db2.gz MSYKLHSXXWGZFR-UHFFFAOYSA-N 1 3 255.450 2.309 10 0 CEAEHO CCC(C)(C)[N@@H+](C)C1(CN)CCN(C(C)C)CC1 ZINC000069429728 521301083 /nfs/dbraw/zinc/30/10/83/521301083.db2.gz MSYKLHSXXWGZFR-UHFFFAOYSA-N 1 3 255.450 2.309 10 0 CEAEHO CCCc1nc(N(C)C2CCN(C)CC2)sc1C[NH2+]C ZINC000054994910 521528888 /nfs/dbraw/zinc/52/88/88/521528888.db2.gz JVGCIJZFAVDPSE-UHFFFAOYSA-N 1 3 296.484 2.345 10 0 CEAEHO CCC1(C)CCN(Cc2ccnc(C(N)=[NH2+])c2)CC1 ZINC000068761947 521678264 /nfs/dbraw/zinc/67/82/64/521678264.db2.gz ILPJGHNWFMMWCO-UHFFFAOYSA-N 1 3 260.385 2.378 10 0 CEAEHO CCN1CC[C@@H](C[NH2+]CCCOc2ccccc2)C1 ZINC000061815694 521711077 /nfs/dbraw/zinc/71/10/77/521711077.db2.gz KNDMZMVZUKLBEY-HNNXBMFYSA-N 1 3 262.397 2.387 10 0 CEAEHO C(CCN1CCO[C@H]2CCCC[C@@H]21)C[NH2+]C1CC1 ZINC000052573029 518382806 /nfs/dbraw/zinc/38/28/06/518382806.db2.gz GPKCXGAOXUPHDZ-GJZGRUSLSA-N 1 3 252.402 2.162 10 0 CEAEHO CC(C)N1CCN([C@H](C)CC[NH2+]C(C)(C)C)CC1 ZINC000052480172 519682956 /nfs/dbraw/zinc/68/29/56/519682956.db2.gz HNBQPMDDYMJMDL-CQSZACIVSA-N 1 3 255.450 2.179 10 0 CEAEHO CC(C)[NH2+]CC1(CN2CCCC[C@H]2CCO)CCOCC1 ZINC000052181058 519719655 /nfs/dbraw/zinc/71/96/55/519719655.db2.gz MJZIIKVOFVBLTP-INIZCTEOSA-N 1 3 298.471 2.018 10 0 CEAEHO CC(C)CN1CCN([C@@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000055077132 519727344 /nfs/dbraw/zinc/72/73/44/519727344.db2.gz NGJDRZHWNBGOOM-NVXWUHKLSA-N 1 3 275.440 2.349 10 0 CEAEHO CC(C)CN1CCN([C@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000055077265 519727776 /nfs/dbraw/zinc/72/77/76/519727776.db2.gz FBTVFRPHGDOFKO-MRXNPFEDSA-N 1 3 279.403 2.099 10 0 CEAEHO CC(C)CN1CCN([C@H](C[NH3+])c2ccsc2)CC1 ZINC000055077001 519728030 /nfs/dbraw/zinc/72/80/30/519728030.db2.gz ACBKGUKQYITYST-CQSZACIVSA-N 1 3 267.442 2.022 10 0 CEAEHO CC(C)C[NH2+]CCCN1CCN(C2CCCC2)CC1 ZINC000052573489 519743713 /nfs/dbraw/zinc/74/37/13/519743713.db2.gz BREHRPCUNBRPSJ-UHFFFAOYSA-N 1 3 267.461 2.182 10 0 CEAEHO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C1CCC(O)CC1 ZINC000054601484 519909489 /nfs/dbraw/zinc/90/94/89/519909489.db2.gz JFAMZQAAMIANLT-OZEOOWDWSA-N 1 3 266.429 2.285 10 0 CEAEHO CCC[NH2+]C[C@@H](C(C)C)N1CCN(CC(C)C)CC1 ZINC000055083080 519920124 /nfs/dbraw/zinc/92/01/24/519920124.db2.gz YMNALNFGYQITHG-INIZCTEOSA-N 1 3 269.477 2.284 10 0 CEAEHO CC[NH2+]C[C@@H](C(C)C)N1CCN(C2CCCC2)CC1 ZINC000052573428 519931733 /nfs/dbraw/zinc/93/17/33/519931733.db2.gz FNHQHTUXSZAXDL-INIZCTEOSA-N 1 3 267.461 2.181 10 0 CEAEHO CCC[NH2+]Cc1ccnc(N2CCN(CC(C)C)CC2)c1 ZINC000055082561 519960331 /nfs/dbraw/zinc/96/03/31/519960331.db2.gz MBBFLDHOZFDLDZ-UHFFFAOYSA-N 1 3 290.455 2.359 10 0 CEAEHO CC[NH2+]C[C@H](OC1CCN(C)CC1)c1ccccc1 ZINC000052596938 519973511 /nfs/dbraw/zinc/97/35/11/519973511.db2.gz OMVGMJIDXSCGKL-INIZCTEOSA-N 1 3 262.397 2.448 10 0 CEAEHO CCC[NH2+][C@@H](CC)CN1CCN(C(C)(C)C)CC1 ZINC000050179533 519991204 /nfs/dbraw/zinc/99/12/04/519991204.db2.gz LRZSZKJVIMBPQX-AWEZNQCLSA-N 1 3 255.450 2.181 10 0 CEAEHO CCO[C@@H](CN)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000062739456 520311713 /nfs/dbraw/zinc/31/17/13/520311713.db2.gz QPWQTLBTRPUCEI-KRWDZBQOSA-N 1 3 276.424 2.305 10 0 CEAEHO CCO[C@@H](C[NH3+])CN1CCC(Cc2ccccc2)CC1 ZINC000062739456 520311721 /nfs/dbraw/zinc/31/17/21/520311721.db2.gz QPWQTLBTRPUCEI-KRWDZBQOSA-N 1 3 276.424 2.305 10 0 CEAEHO CCN(CC)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052180683 520583666 /nfs/dbraw/zinc/58/36/66/520583666.db2.gz DIAKHGSPSFETDE-UHFFFAOYSA-N 1 3 256.434 2.371 10 0 CEAEHO CCC[C@@H](CN1CCN([C@H](C)CC)CC1)[NH2+]CC ZINC000055065012 520706089 /nfs/dbraw/zinc/70/60/89/520706089.db2.gz KAEXALFUDBNREW-CABCVRRESA-N 1 3 255.450 2.181 10 0 CEAEHO CCC[C@@](C)(C[NH2+]C)CN1CCN([C@H](C)CC)CC1 ZINC000055071680 520909076 /nfs/dbraw/zinc/90/90/76/520909076.db2.gz ZOXSYGJNKHPVGL-CVEARBPZSA-N 1 3 269.477 2.428 10 0 CEAEHO CCC[C@H]([NH3+])[C@H](CC)N1CCN([C@@H](C)CC)CC1 ZINC000055065341 521121791 /nfs/dbraw/zinc/12/17/91/521121791.db2.gz OSEFYCUHZMBADV-KKUMJFAQSA-N 1 3 255.450 2.309 10 0 CEAEHO CCC(CC)[N@H+](CCOC)Cc1ccnc(CN)c1 ZINC000068750246 521560235 /nfs/dbraw/zinc/56/02/35/521560235.db2.gz IZDZDVJGJDCJTJ-UHFFFAOYSA-N 1 3 265.401 2.177 10 0 CEAEHO CCC(CC)[N@@H+](CCOC)Cc1ccnc(CN)c1 ZINC000068750246 521560242 /nfs/dbraw/zinc/56/02/42/521560242.db2.gz IZDZDVJGJDCJTJ-UHFFFAOYSA-N 1 3 265.401 2.177 10 0 CEAEHO CCCN(CC[NH+](C)C)[C@H](CN)c1c(F)cccc1F ZINC000045666193 521657604 /nfs/dbraw/zinc/65/76/04/521657604.db2.gz WJZHHCLEUNEOSX-CQSZACIVSA-N 1 3 285.382 2.238 10 0 CEAEHO CCCN(CCN(C)C)[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052544102 521657797 /nfs/dbraw/zinc/65/77/97/521657797.db2.gz BMSQGHUKHOXEQN-HNNXBMFYSA-N 1 3 255.450 2.037 10 0 CEAEHO CCN1CCN(Cc2c3ccccc3sc2C[NH3+])CC1 ZINC000052422392 521687955 /nfs/dbraw/zinc/68/79/55/521687955.db2.gz UAMXHSPZNGUAQZ-UHFFFAOYSA-N 1 3 289.448 2.498 10 0 CEAEHO C[NH+](C)C[C@@H]1CCCN1c1nc2ccccc2cc1CN ZINC000061645988 521844693 /nfs/dbraw/zinc/84/46/93/521844693.db2.gz XGCQCBMKQGEMIT-HNNXBMFYSA-N 1 3 284.407 2.224 10 0 CEAEHO CN(C)C[C@H]1CCC[N@@H+]1[C@@H]1CCc2ccccc2[C@@H]1N ZINC000061643460 521873677 /nfs/dbraw/zinc/87/36/77/521873677.db2.gz JODMQGDULLUINX-OIISXLGYSA-N 1 3 273.424 2.027 10 0 CEAEHO CN(C)C[C@H]1CCC[N@H+]1[C@@H]1CCc2ccccc2[C@@H]1N ZINC000061643460 521873690 /nfs/dbraw/zinc/87/36/90/521873690.db2.gz JODMQGDULLUINX-OIISXLGYSA-N 1 3 273.424 2.027 10 0 CEAEHO C[NH+](C)C[C@H]1CCCN1c1nc(C(C)(C)C)c(CN)s1 ZINC000061655579 521875509 /nfs/dbraw/zinc/87/55/09/521875509.db2.gz RPAALXPQSCZFCA-LLVKDONJSA-N 1 3 296.484 2.430 10 0 CEAEHO CNC(C)(C)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000061300769 521941599 /nfs/dbraw/zinc/94/15/99/521941599.db2.gz LNBYWNWLANCFLR-UHFFFAOYSA-N 1 3 275.396 2.219 10 0 CEAEHO COCC[C@H](N)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000052810635 521951213 /nfs/dbraw/zinc/95/12/13/521951213.db2.gz SJUWBPJBKBLTOB-KRWDZBQOSA-N 1 3 276.424 2.305 10 0 CEAEHO CNCC1(C[N@@H+]2CCC[C@H]2CCCO)CCCC1 ZINC000052763344 521968657 /nfs/dbraw/zinc/96/86/57/521968657.db2.gz YUNZVHXHPAWTIY-AWEZNQCLSA-N 1 3 254.418 2.003 10 0 CEAEHO CNCC1(C[N@H+]2CCC[C@H]2CCCO)CCCC1 ZINC000052763344 521968661 /nfs/dbraw/zinc/96/86/61/521968661.db2.gz YUNZVHXHPAWTIY-AWEZNQCLSA-N 1 3 254.418 2.003 10 0 CEAEHO C[NH2+]C[C@@H](c1ccccc1)N1CCN(CC(C)C)CC1 ZINC000055075687 522037814 /nfs/dbraw/zinc/03/78/14/522037814.db2.gz WUHADERRWURAOB-KRWDZBQOSA-N 1 3 275.440 2.221 10 0 CEAEHO CC[C@@H](C)N1CCN(C2(C[NH3+])CCCCCC2)CC1 ZINC000055064748 522119202 /nfs/dbraw/zinc/11/92/02/522119202.db2.gz WTBJXVDQBRGDKS-OAHLLOKOSA-N 1 3 267.461 2.454 10 0 CEAEHO CC[C@@H](C)N1CCN(CC[NH2+]CC2CCCC2)CC1 ZINC000055075431 522120753 /nfs/dbraw/zinc/12/07/53/522120753.db2.gz OPFPVGFVOIYQPG-OAHLLOKOSA-N 1 3 267.461 2.182 10 0 CEAEHO C[NH2+][C@H]1CCCC[C@@H]1CN1CCN(C(C)(C)C)CC1 ZINC000053859461 522489902 /nfs/dbraw/zinc/48/99/02/522489902.db2.gz JZXQAXBEHAILCV-CABCVRRESA-N 1 3 267.461 2.181 10 0 CEAEHO CN(CCCC[NH2+]C(C)(C)C)Cc1cnn(C)c1 ZINC000052570269 522733980 /nfs/dbraw/zinc/73/39/80/522733980.db2.gz REWPGALJBIJBMQ-UHFFFAOYSA-N 1 3 252.406 2.020 10 0 CEAEHO CC[C@@H]([C@@H](N)c1ccccc1)[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061643465 523090070 /nfs/dbraw/zinc/09/00/70/523090070.db2.gz HIVDPBNUTJSOBG-IKGGRYGDSA-N 1 3 275.440 2.491 10 0 CEAEHO CC[C@@H]([C@@H](N)c1ccccc1)[N@H+]1CCC[C@@H]1CN(C)C ZINC000061643465 523090079 /nfs/dbraw/zinc/09/00/79/523090079.db2.gz HIVDPBNUTJSOBG-IKGGRYGDSA-N 1 3 275.440 2.491 10 0 CEAEHO CN(c1ccc(C(N)=[NH2+])cc1Cl)C1CCN(C)CC1 ZINC000062793940 523634354 /nfs/dbraw/zinc/63/43/54/523634354.db2.gz OQWGGYJRWUMPQR-UHFFFAOYSA-N 1 3 280.803 2.154 10 0 CEAEHO CN1CCCN([C@@H](C[NH3+])c2cc3ccccc3o2)CC1 ZINC000068810865 523810964 /nfs/dbraw/zinc/81/09/64/523810964.db2.gz UAKONFQAYDHUBT-AWEZNQCLSA-N 1 3 273.380 2.070 10 0 CEAEHO CN1CCCN(c2nc(C(C)(C)C)c(C[NH3+])s2)CC1 ZINC000054968944 523813548 /nfs/dbraw/zinc/81/35/48/523813548.db2.gz SECHPNLHMHQHSM-UHFFFAOYSA-N 1 3 282.457 2.041 10 0 CEAEHO CC[C@H](C)N1CCN(CC[NH2+]CCCC(C)C)CC1 ZINC000055075464 523954254 /nfs/dbraw/zinc/95/42/54/523954254.db2.gz RQQMTJQUZFAGJJ-INIZCTEOSA-N 1 3 269.477 2.428 10 0 CEAEHO CC[C@H](C)N1CCN(CC[NH2+]CCc2cccs2)CC1 ZINC000055075040 523954496 /nfs/dbraw/zinc/95/44/96/523954496.db2.gz DNRTZTORFGKRNM-HNNXBMFYSA-N 1 3 295.496 2.296 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000055064564 523958651 /nfs/dbraw/zinc/95/86/51/523958651.db2.gz FDNWQTFRSBTKRO-HOCLYGCPSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C)C[NH2+]CCC(C)C)CC1 ZINC000055075306 523958905 /nfs/dbraw/zinc/95/89/05/523958905.db2.gz WPSJMOMMQRZBHS-JKSUJKDBSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@H](C)[NH2+]C[C@@H](C)N1CCN(CC(C)C)CC1 ZINC000055075903 524003402 /nfs/dbraw/zinc/00/34/02/524003402.db2.gz CYKROUVJHSLXJH-LSDHHAIUSA-N 1 3 255.450 2.037 10 0 CEAEHO C[C@H](CCC[NH3+])N1CCN(c2ccccc2F)CC1 ZINC000052374727 524139681 /nfs/dbraw/zinc/13/96/81/524139681.db2.gz TYPUFDFHFFGNEA-CYBMUJFWSA-N 1 3 265.376 2.075 10 0 CEAEHO C[C@H]1CN(CCCCC[NH2+]C2CC2)CC(C)(C)O1 ZINC000052543578 524588365 /nfs/dbraw/zinc/58/83/65/524588365.db2.gz HEJGQRMVVPHOLR-ZDUSSCGKSA-N 1 3 254.418 2.408 10 0 CEAEHO C[C@H]([NH3+])c1ccc(OCCN(C)C)c(Br)c1 ZINC000061699559 524866838 /nfs/dbraw/zinc/86/68/38/524866838.db2.gz NDLNURUUBZJEOU-VIFPVBQESA-N 1 3 287.201 2.409 10 0 CEAEHO Cc1ccc([C@@H](N)[C@H](C)[N@H+](C)C2CCN(C)CC2)cc1 ZINC000052684849 525766252 /nfs/dbraw/zinc/76/62/52/525766252.db2.gz FFYVNILILIJHOV-YOEHRIQHSA-N 1 3 275.440 2.409 10 0 CEAEHO Cc1ccc([C@@H](N)[C@H](C)[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000052684849 525766259 /nfs/dbraw/zinc/76/62/59/525766259.db2.gz FFYVNILILIJHOV-YOEHRIQHSA-N 1 3 275.440 2.409 10 0 CEAEHO O[C@]12CCCC[C@@H]1CN(CCC[NH+]1CCCCC1)CC2 ZINC000161612737 526322513 /nfs/dbraw/zinc/32/25/13/526322513.db2.gz DIGTZKNKIZILCP-SJORKVTESA-N 1 3 280.456 2.489 10 0 CEAEHO Cc1oc(CNC(C)C)cc1COCC[NH+](C)C ZINC000052669896 526775172 /nfs/dbraw/zinc/77/51/72/526775172.db2.gz FWDMGOIHXNBXAH-UHFFFAOYSA-N 1 3 254.374 2.164 10 0 CEAEHO NC(=[NH2+])C[C@@H](c1ccccc1)N1CCN(CC2CC2)CC1 ZINC000055023262 526816640 /nfs/dbraw/zinc/81/66/40/526816640.db2.gz DZXZXUNKVOPMAX-INIZCTEOSA-N 1 3 286.423 2.081 10 0 CEAEHO NCC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000055017726 527190618 /nfs/dbraw/zinc/19/06/18/527190618.db2.gz AMSZNBBBNSZFND-CVEARBPZSA-N 1 3 262.397 2.313 10 0 CEAEHO NCC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1CCCO ZINC000055017726 527190625 /nfs/dbraw/zinc/19/06/25/527190625.db2.gz AMSZNBBBNSZFND-CVEARBPZSA-N 1 3 262.397 2.313 10 0 CEAEHO NCc1ccoc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000052484208 527262107 /nfs/dbraw/zinc/26/21/07/527262107.db2.gz XCVWMGRFYCSCIL-UHFFFAOYSA-N 1 3 277.412 2.189 10 0 CEAEHO CN1CC[C@@H](C[N@H+](C)Cc2cccc3c2NCCC3)C1 ZINC000312738431 628494406 /nfs/dbraw/zinc/49/44/06/628494406.db2.gz UTWWIAPXPCTNIZ-CQSZACIVSA-N 1 3 273.424 2.428 10 0 CEAEHO CN1CC[C@@H](C[N@@H+](C)Cc2cccc3c2NCCC3)C1 ZINC000312738431 628494409 /nfs/dbraw/zinc/49/44/09/628494409.db2.gz UTWWIAPXPCTNIZ-CQSZACIVSA-N 1 3 273.424 2.428 10 0 CEAEHO CCCc1nc(CC[NH+](CC)CC)sc1CN ZINC000082428850 178005623 /nfs/dbraw/zinc/00/56/23/178005623.db2.gz JLUMGKDAKYTMOF-UHFFFAOYSA-N 1 3 255.431 2.439 10 0 CEAEHO COc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1C ZINC000261595555 539185472 /nfs/dbraw/zinc/18/54/72/539185472.db2.gz OGWXFPJXXIFMDJ-ZNMIVQPWSA-N 1 3 260.381 2.173 10 0 CEAEHO NC[C@@](O)(C[NH+]1CCC2(CCCCC2)CC1)C1CC1 ZINC000085302781 179010799 /nfs/dbraw/zinc/01/07/99/179010799.db2.gz QHWAXQQBOVPCAK-MRXNPFEDSA-N 1 3 266.429 2.133 10 0 CEAEHO Cc1csc(CCNC[C@@H]2CCCC[C@@H]2[NH3+])n1 ZINC000085376864 179044456 /nfs/dbraw/zinc/04/44/56/179044456.db2.gz CYBLPMBIYUNXIH-RYUDHWBXSA-N 1 3 253.415 2.101 10 0 CEAEHO C[C@H]1CC[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CCCCO1 ZINC000085623751 179107328 /nfs/dbraw/zinc/10/73/28/179107328.db2.gz ULGMVSAUZLESPU-BPUTZDHNSA-N 1 3 266.429 2.408 10 0 CEAEHO C[C@H]1CCN[C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085623751 179107331 /nfs/dbraw/zinc/10/73/31/179107331.db2.gz ULGMVSAUZLESPU-BPUTZDHNSA-N 1 3 266.429 2.408 10 0 CEAEHO C[C@H]1CCN[C@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCCO1 ZINC000085623751 179107333 /nfs/dbraw/zinc/10/73/33/179107333.db2.gz ULGMVSAUZLESPU-BPUTZDHNSA-N 1 3 266.429 2.408 10 0 CEAEHO C(C1CCOCC1)[N@@H+]1CCCNC2(CCCCC2)C1 ZINC000085610588 179101620 /nfs/dbraw/zinc/10/16/20/179101620.db2.gz QKIVRTIDCHKREJ-UHFFFAOYSA-N 1 3 266.429 2.411 10 0 CEAEHO C(C1CCOCC1)[N@H+]1CCCNC2(CCCCC2)C1 ZINC000085610588 179101621 /nfs/dbraw/zinc/10/16/21/179101621.db2.gz QKIVRTIDCHKREJ-UHFFFAOYSA-N 1 3 266.429 2.411 10 0 CEAEHO CCOCCN1CC2(CCCCC2)[NH2+]CC[C@H]1C ZINC000085620774 179105498 /nfs/dbraw/zinc/10/54/98/179105498.db2.gz NJTGGCGECGTCQT-CQSZACIVSA-N 1 3 254.418 2.410 10 0 CEAEHO CCOCC[N@@H+]1CC2(CCCCC2)NCC[C@H]1C ZINC000085620774 179105500 /nfs/dbraw/zinc/10/55/00/179105500.db2.gz NJTGGCGECGTCQT-CQSZACIVSA-N 1 3 254.418 2.410 10 0 CEAEHO CCOCC[N@H+]1CC2(CCCCC2)NCC[C@H]1C ZINC000085620774 179105501 /nfs/dbraw/zinc/10/55/01/179105501.db2.gz NJTGGCGECGTCQT-CQSZACIVSA-N 1 3 254.418 2.410 10 0 CEAEHO CCCN1CCC([N@@H+]2C[C@@H](C)NC[C@@H]2C(C)C)CC1 ZINC000086173182 179244920 /nfs/dbraw/zinc/24/49/20/179244920.db2.gz JNPUPRRQPVLOIZ-GDBMZVCRSA-N 1 3 267.461 2.179 10 0 CEAEHO CCCN1CCC([N@H+]2C[C@@H](C)NC[C@@H]2C(C)C)CC1 ZINC000086173182 179244921 /nfs/dbraw/zinc/24/49/21/179244921.db2.gz JNPUPRRQPVLOIZ-GDBMZVCRSA-N 1 3 267.461 2.179 10 0 CEAEHO CN1CCCC[C@@H]1CN1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000086145827 179238888 /nfs/dbraw/zinc/23/88/88/179238888.db2.gz LPQWWWAEMUEAFE-SJORKVTESA-N 1 3 279.472 2.325 10 0 CEAEHO CC[C@@H]1CN[C@H](CC(C)C)C[N@@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182727 179248148 /nfs/dbraw/zinc/24/81/48/179248148.db2.gz WDEUUCCBASSKTH-BRWVUGGUSA-N 1 3 279.472 2.179 10 0 CEAEHO CC[C@@H]1CN[C@H](CC(C)C)C[N@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182727 179248149 /nfs/dbraw/zinc/24/81/49/179248149.db2.gz WDEUUCCBASSKTH-BRWVUGGUSA-N 1 3 279.472 2.179 10 0 CEAEHO C[C@H]1CN[C@@](C)(c2ccccc2)CN1CCC[NH+](C)C ZINC000086217748 179249823 /nfs/dbraw/zinc/24/98/23/179249823.db2.gz KDSDVBJJHMXMNZ-DOTOQJQBSA-N 1 3 275.440 2.147 10 0 CEAEHO CC[C@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCN(CC)C1 ZINC000086223015 179250382 /nfs/dbraw/zinc/25/03/82/179250382.db2.gz AWFHLZPDJFJBRU-OWCLPIDISA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@H]1CN[C@@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCN(CC)C1 ZINC000086223015 179250384 /nfs/dbraw/zinc/25/03/84/179250384.db2.gz AWFHLZPDJFJBRU-OWCLPIDISA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@@H]1CN[C@@H](CC(C)C)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223174 179252469 /nfs/dbraw/zinc/25/24/69/179252469.db2.gz JLGOWXVRPQLKJI-OWCLPIDISA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@@H]1CN[C@@H](CC(C)C)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223174 179252471 /nfs/dbraw/zinc/25/24/71/179252471.db2.gz JLGOWXVRPQLKJI-OWCLPIDISA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1[C@@H]1CCCN(C)C1 ZINC000086223939 179253103 /nfs/dbraw/zinc/25/31/03/179253103.db2.gz FIARODJHDJJYLD-ZNMIVQPWSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1CN[C@H](C(C)(C)C)C[N@H+]1[C@@H]1CCCN(C)C1 ZINC000086223939 179253104 /nfs/dbraw/zinc/25/31/04/179253104.db2.gz FIARODJHDJJYLD-ZNMIVQPWSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@]1(C)C[N@H+]([C@@H](C)CCN(C)C)[C@H](C(C)C)CN1 ZINC000086227537 179254242 /nfs/dbraw/zinc/25/42/42/179254242.db2.gz YIFTVOUAXUVPNN-JYJNAYRXSA-N 1 3 269.477 2.425 10 0 CEAEHO CC[C@@]1(C)C[N@@H+]([C@@H](C)CCN(C)C)[C@H](C(C)C)CN1 ZINC000086227537 179254245 /nfs/dbraw/zinc/25/42/45/179254245.db2.gz YIFTVOUAXUVPNN-JYJNAYRXSA-N 1 3 269.477 2.425 10 0 CEAEHO CC[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1[C@@H](C)CCN(C)C ZINC000086227529 179254555 /nfs/dbraw/zinc/25/45/55/179254555.db2.gz FNQOMLCQGUKKOC-CWRNSKLLSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1CN[C@@](C)(C2CC2)C[N@H+]1[C@@H](C)CCN(C)C ZINC000086227529 179254556 /nfs/dbraw/zinc/25/45/56/179254556.db2.gz FNQOMLCQGUKKOC-CWRNSKLLSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1CNC2(CCCC2)C[N@@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182649 179247771 /nfs/dbraw/zinc/24/77/71/179247771.db2.gz XCOLGXQKTJJTEF-JKSUJKDBSA-N 1 3 277.456 2.077 10 0 CEAEHO CC[C@H]1CNC2(CCCC2)C[N@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182649 179247772 /nfs/dbraw/zinc/24/77/72/179247772.db2.gz XCOLGXQKTJJTEF-JKSUJKDBSA-N 1 3 277.456 2.077 10 0 CEAEHO CC[C@H]1CNC2(CCCC2)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259254 179258808 /nfs/dbraw/zinc/25/88/08/179258808.db2.gz HYNWJZRMDACYCO-CVEARBPZSA-N 1 3 279.472 2.325 10 0 CEAEHO CC[C@H]1CNC2(CCCC2)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259254 179258810 /nfs/dbraw/zinc/25/88/10/179258810.db2.gz HYNWJZRMDACYCO-CVEARBPZSA-N 1 3 279.472 2.325 10 0 CEAEHO CN1CCC([N@@H+]2CCCN[C@@H](C3CCCCC3)C2)CC1 ZINC000086286991 179264305 /nfs/dbraw/zinc/26/43/05/179264305.db2.gz ZTADPMZIIODPGX-QGZVFWFLSA-N 1 3 279.472 2.325 10 0 CEAEHO CN1CCC([N@H+]2CCCN[C@@H](C3CCCCC3)C2)CC1 ZINC000086286991 179264308 /nfs/dbraw/zinc/26/43/08/179264308.db2.gz ZTADPMZIIODPGX-QGZVFWFLSA-N 1 3 279.472 2.325 10 0 CEAEHO CN1CCC(N2CCC[NH2+][C@@H](C3CCCCC3)C2)CC1 ZINC000086286991 179264309 /nfs/dbraw/zinc/26/43/09/179264309.db2.gz ZTADPMZIIODPGX-QGZVFWFLSA-N 1 3 279.472 2.325 10 0 CEAEHO C[C@@H]([C@H]1CCCO1)[N@@H+]1CCCNC2(CCCC2)C1 ZINC000086287096 179264659 /nfs/dbraw/zinc/26/46/59/179264659.db2.gz BGLWGTDPGPQTDL-UONOGXRCSA-N 1 3 252.402 2.162 10 0 CEAEHO C[C@@H]([C@H]1CCCO1)[N@H+]1CCCNC2(CCCC2)C1 ZINC000086287096 179264661 /nfs/dbraw/zinc/26/46/61/179264661.db2.gz BGLWGTDPGPQTDL-UONOGXRCSA-N 1 3 252.402 2.162 10 0 CEAEHO C[C@@H]([C@H]1CCCO1)N1CCC[NH2+]C2(CCCC2)C1 ZINC000086287096 179264662 /nfs/dbraw/zinc/26/46/62/179264662.db2.gz BGLWGTDPGPQTDL-UONOGXRCSA-N 1 3 252.402 2.162 10 0 CEAEHO CC[C@H]1CNC2(CCCC2)C[N@@H+]1[C@@H](C)CCN(C)C ZINC000086255872 179257288 /nfs/dbraw/zinc/25/72/88/179257288.db2.gz PKAZJXJEENDGQO-GJZGRUSLSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@H]1CNC2(CCCC2)C[N@H+]1[C@@H](C)CCN(C)C ZINC000086255872 179257289 /nfs/dbraw/zinc/25/72/89/179257289.db2.gz PKAZJXJEENDGQO-GJZGRUSLSA-N 1 3 267.461 2.323 10 0 CEAEHO C1CC1N1CC[C@@H](N2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086291906 179266925 /nfs/dbraw/zinc/26/69/25/179266925.db2.gz SSUKSICNPNMOFP-MRXNPFEDSA-N 1 3 277.456 2.221 10 0 CEAEHO CCC[C@H](COC)[N@@H+]1CCCNC2(CCCC2)C1 ZINC000086299572 179269078 /nfs/dbraw/zinc/26/90/78/179269078.db2.gz JYGSKEDWZPQRFN-CQSZACIVSA-N 1 3 254.418 2.410 10 0 CEAEHO CCC[C@H](COC)[N@H+]1CCCNC2(CCCC2)C1 ZINC000086299572 179269079 /nfs/dbraw/zinc/26/90/79/179269079.db2.gz JYGSKEDWZPQRFN-CQSZACIVSA-N 1 3 254.418 2.410 10 0 CEAEHO CCC[C@H](COC)N1CCC[NH2+]C2(CCCC2)C1 ZINC000086299572 179269082 /nfs/dbraw/zinc/26/90/82/179269082.db2.gz JYGSKEDWZPQRFN-CQSZACIVSA-N 1 3 254.418 2.410 10 0 CEAEHO CN[C@@H]1CCCc2sc(N(C)CC[NH+]3CCCC3)nc21 ZINC000086444100 179293759 /nfs/dbraw/zinc/29/37/59/179293759.db2.gz GTOKDHKYPSEANB-GFCCVEGCSA-N 1 3 294.468 2.272 10 0 CEAEHO C[C@H](CN1CCCCC1)NC1=[NH+]C[C@H](C)CS1 ZINC000086632838 179315025 /nfs/dbraw/zinc/31/50/25/179315025.db2.gz GAGFGXSZUBVBMV-NWDGAFQWSA-N 1 3 255.431 2.189 10 0 CEAEHO CC(C)N1CCC[C@H]([NH2+]C2CCC(O)CC2)CC1 ZINC000086835471 179349715 /nfs/dbraw/zinc/34/97/15/179349715.db2.gz ZXQJGLDXFUGEEQ-NFOMZHRRSA-N 1 3 254.418 2.142 10 0 CEAEHO CC(C)C[C@@H](C[NH2+][C@H]1CCCN(C)CC1)N(C)C ZINC000086817431 179344829 /nfs/dbraw/zinc/34/48/29/179344829.db2.gz VLRHFEFXGQSLJQ-GJZGRUSLSA-N 1 3 255.450 2.037 10 0 CEAEHO CC(C)[C@@H](C[NH2+][C@H]1CCCN(C)CC1)N1CCCC1 ZINC000086817427 179345047 /nfs/dbraw/zinc/34/50/47/179345047.db2.gz ZFFULUFZEJUXAG-JKSUJKDBSA-N 1 3 267.461 2.181 10 0 CEAEHO CCC[N@@H+]1CCC[C@@H](NCCN(CC)CC)CC1 ZINC000086835493 179349657 /nfs/dbraw/zinc/34/96/57/179349657.db2.gz SBUWSRCMFBRLNO-OAHLLOKOSA-N 1 3 255.450 2.182 10 0 CEAEHO CCC[N@H+]1CCC[C@@H](NCCN(CC)CC)CC1 ZINC000086835493 179349658 /nfs/dbraw/zinc/34/96/58/179349658.db2.gz SBUWSRCMFBRLNO-OAHLLOKOSA-N 1 3 255.450 2.182 10 0 CEAEHO CCN1CCC[C@](CN)([N@@H+]2CCCC2(C)C)CC1 ZINC000086848649 179356754 /nfs/dbraw/zinc/35/67/54/179356754.db2.gz QBXNQXSORLOODG-HNNXBMFYSA-N 1 3 253.434 2.064 10 0 CEAEHO CCN1CCC[C@](CN)([N@H+]2CCCC2(C)C)CC1 ZINC000086848649 179356756 /nfs/dbraw/zinc/35/67/56/179356756.db2.gz QBXNQXSORLOODG-HNNXBMFYSA-N 1 3 253.434 2.064 10 0 CEAEHO CCC[N@@H+]1CCC[C@@H](N[C@@H](C)CN2CCCC2)CC1 ZINC000086842819 179353414 /nfs/dbraw/zinc/35/34/14/179353414.db2.gz JWCMKZTVKGUDAU-JKSUJKDBSA-N 1 3 267.461 2.325 10 0 CEAEHO CCC[N@H+]1CCC[C@@H](N[C@@H](C)CN2CCCC2)CC1 ZINC000086842819 179353416 /nfs/dbraw/zinc/35/34/16/179353416.db2.gz JWCMKZTVKGUDAU-JKSUJKDBSA-N 1 3 267.461 2.325 10 0 CEAEHO CCCN1CCC[C@@H]([NH2+]C2CCN(CC)CC2)CC1 ZINC000086842261 179353770 /nfs/dbraw/zinc/35/37/70/179353770.db2.gz SJAKQFLXSMEDLD-OAHLLOKOSA-N 1 3 267.461 2.325 10 0 CEAEHO CCCN1CCC[C@H]([NH2+]CC2CCOCC2)CC1 ZINC000086845063 179354356 /nfs/dbraw/zinc/35/43/56/179354356.db2.gz PECDTEZERZGLBR-HNNXBMFYSA-N 1 3 254.418 2.267 10 0 CEAEHO CCN1CCC[C@@](CN)([N@H+](CC2CC2)C2CC2)CC1 ZINC000086848955 179358669 /nfs/dbraw/zinc/35/86/69/179358669.db2.gz NVFSTXXYLBCYTH-MRXNPFEDSA-N 1 3 265.445 2.064 10 0 CEAEHO CCN1CCC[C@@](CN)([N@@H+](CC2CC2)C2CC2)CC1 ZINC000086848955 179358670 /nfs/dbraw/zinc/35/86/70/179358670.db2.gz NVFSTXXYLBCYTH-MRXNPFEDSA-N 1 3 265.445 2.064 10 0 CEAEHO C[C@@H]1CCC[C@](CN)([N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC000086891435 179366436 /nfs/dbraw/zinc/36/64/36/179366436.db2.gz LBSVYUQUJUJJHS-ZBFHGGJFSA-N 1 3 267.461 2.310 10 0 CEAEHO C[C@@H]1CCC[C@](CN)([N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC000086891435 179366439 /nfs/dbraw/zinc/36/64/39/179366439.db2.gz LBSVYUQUJUJJHS-ZBFHGGJFSA-N 1 3 267.461 2.310 10 0 CEAEHO C[C@@H]1CCC[C@](C[NH3+])(N2CCN(C)C(C)(C)C2)CC1 ZINC000086891435 179366440 /nfs/dbraw/zinc/36/64/40/179366440.db2.gz LBSVYUQUJUJJHS-ZBFHGGJFSA-N 1 3 267.461 2.310 10 0 CEAEHO CCC1CCC(O)(C[NH2+]CCCN2CCCC2)CC1 ZINC000087066057 179389858 /nfs/dbraw/zinc/38/98/58/179389858.db2.gz RHGLXXSWDMVRRD-UHFFFAOYSA-N 1 3 268.445 2.393 10 0 CEAEHO CCC1CCC(O)(CNCCC[NH+]2CCCC2)CC1 ZINC000087066057 179389860 /nfs/dbraw/zinc/38/98/60/179389860.db2.gz RHGLXXSWDMVRRD-UHFFFAOYSA-N 1 3 268.445 2.393 10 0 CEAEHO CC(C)[NH2+]CC1(CN(C)CCN(C)C)CCCC1 ZINC000104189018 185922326 /nfs/dbraw/zinc/92/23/26/185922326.db2.gz BZFBNIDQBULAHQ-UHFFFAOYSA-N 1 3 255.450 2.038 10 0 CEAEHO C[C@H](CN(C)Cc1ccccc1)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400514773 233179443 /nfs/dbraw/zinc/17/94/43/233179443.db2.gz MSNGGJAWHOBMSO-INMHGKMJSA-N 1 3 275.440 2.095 10 0 CEAEHO Cc1cc(F)ccc1CCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400335270 233176535 /nfs/dbraw/zinc/17/65/35/233176535.db2.gz DARCQEMPPFRNIQ-GXTWGEPZSA-N 1 3 250.361 2.264 10 0 CEAEHO CCC[C@@]1(CNCCc2cscn2)CCC[NH2+]C1 ZINC000104446334 186005012 /nfs/dbraw/zinc/00/50/12/186005012.db2.gz SGJCOVVIMCMQAG-CQSZACIVSA-N 1 3 267.442 2.445 10 0 CEAEHO CCC[C@@]1(C[NH2+]CCc2cscn2)CCCNC1 ZINC000104446334 186005014 /nfs/dbraw/zinc/00/50/14/186005014.db2.gz SGJCOVVIMCMQAG-CQSZACIVSA-N 1 3 267.442 2.445 10 0 CEAEHO CC(C)CN(CCC[NH3+])C[C@H]1Cc2ccccc2O1 ZINC000090874018 180050150 /nfs/dbraw/zinc/05/01/50/180050150.db2.gz UJITYALUOVVUGU-OAHLLOKOSA-N 1 3 262.397 2.297 10 0 CEAEHO CC(C)C[N@H+](CCCN)C[C@H]1Cc2ccccc2O1 ZINC000090874018 180050152 /nfs/dbraw/zinc/05/01/52/180050152.db2.gz UJITYALUOVVUGU-OAHLLOKOSA-N 1 3 262.397 2.297 10 0 CEAEHO CC(C)C[N@@H+](CCCN)C[C@H]1Cc2ccccc2O1 ZINC000090874018 180050153 /nfs/dbraw/zinc/05/01/53/180050153.db2.gz UJITYALUOVVUGU-OAHLLOKOSA-N 1 3 262.397 2.297 10 0 CEAEHO [NH3+][C@@H](CCCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000090908652 180062248 /nfs/dbraw/zinc/06/22/48/180062248.db2.gz WLMLINYWSQIJGT-XHSDSOJGSA-N 1 3 260.381 2.330 10 0 CEAEHO CC(C)[N@@H+]1CC[C@@H](CNCc2c[nH]c3ncccc23)C1 ZINC000091017524 180086998 /nfs/dbraw/zinc/08/69/98/180086998.db2.gz HKPHPZXKNYNPOB-ZDUSSCGKSA-N 1 3 272.396 2.383 10 0 CEAEHO CC(C)[N@H+]1CC[C@@H](CNCc2c[nH]c3ncccc23)C1 ZINC000091017524 180086999 /nfs/dbraw/zinc/08/69/99/180086999.db2.gz HKPHPZXKNYNPOB-ZDUSSCGKSA-N 1 3 272.396 2.383 10 0 CEAEHO CC(C)N1CC[C@@H](C[NH2+]Cc2c[nH]c3ncccc23)C1 ZINC000091017524 180087001 /nfs/dbraw/zinc/08/70/01/180087001.db2.gz HKPHPZXKNYNPOB-ZDUSSCGKSA-N 1 3 272.396 2.383 10 0 CEAEHO CC[NH2+][C@@H]1CCCCC[C@H]1CN(C)CC1CC(O)C1 ZINC000091499464 180173661 /nfs/dbraw/zinc/17/36/61/180173661.db2.gz HYNOZFBERFDQPV-BHDPWAOGSA-N 1 3 268.445 2.248 10 0 CEAEHO CN(C)[C@@H]1CCCN(C(=O)CC[C@@H](CC[NH3+])C(C)(C)C)C1 ZINC000091393713 180145841 /nfs/dbraw/zinc/14/58/41/180145841.db2.gz IEFBYBIYTPJYLN-LSDHHAIUSA-N 1 3 297.487 2.330 10 0 CEAEHO COc1ccc(C)cc1[C@@H](N)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091395498 180146178 /nfs/dbraw/zinc/14/61/78/180146178.db2.gz YRDWLKUCFZXXAR-HOCLYGCPSA-N 1 3 291.439 2.029 10 0 CEAEHO CN(C)[C@H]1CCC[N@@H+](C2(CN)CCCCCC2)C1 ZINC000091394916 180146293 /nfs/dbraw/zinc/14/62/93/180146293.db2.gz VZKCJQKXKQBBPO-AWEZNQCLSA-N 1 3 253.434 2.064 10 0 CEAEHO CN(C)[C@H]1CCC[N@H+](C2(CN)CCCCCC2)C1 ZINC000091394916 180146296 /nfs/dbraw/zinc/14/62/96/180146296.db2.gz VZKCJQKXKQBBPO-AWEZNQCLSA-N 1 3 253.434 2.064 10 0 CEAEHO Cc1ccc([C@H](N)CN2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091395761 180146615 /nfs/dbraw/zinc/14/66/15/180146615.db2.gz HHOBHQPKYZPWTI-JKSUJKDBSA-N 1 3 261.413 2.021 10 0 CEAEHO CN(C)[C@@H]1CCC[N@@H+](C2(CN)CCCCCC2)C1 ZINC000091394915 180146656 /nfs/dbraw/zinc/14/66/56/180146656.db2.gz VZKCJQKXKQBBPO-CQSZACIVSA-N 1 3 253.434 2.064 10 0 CEAEHO CN(C)[C@@H]1CCC[N@H+](C2(CN)CCCCCC2)C1 ZINC000091394915 180146657 /nfs/dbraw/zinc/14/66/57/180146657.db2.gz VZKCJQKXKQBBPO-CQSZACIVSA-N 1 3 253.434 2.064 10 0 CEAEHO CC[NH2+][C@H](C)C(C)(C)CN(C)CCN1CCCC1 ZINC000091405041 180147344 /nfs/dbraw/zinc/14/73/44/180147344.db2.gz JIEZBRPFJHGLQZ-CQSZACIVSA-N 1 3 255.450 2.038 10 0 CEAEHO CCN(CC)[C@@](C)(CC)[C@@H](Cc1cnccc1N)[NH2+]C ZINC000091599200 180202095 /nfs/dbraw/zinc/20/20/95/180202095.db2.gz CFMBWRIDKLRAKN-CVEARBPZSA-N 1 3 278.444 2.305 10 0 CEAEHO CC[NH+](CC)[C@@](C)(CC)[C@@H](Cc1cnccc1N)NC ZINC000091599200 180202097 /nfs/dbraw/zinc/20/20/97/180202097.db2.gz CFMBWRIDKLRAKN-CVEARBPZSA-N 1 3 278.444 2.305 10 0 CEAEHO CC[C@](C)([C@@H](O)Cc1cnccc1N)[NH+]1CCCCC1 ZINC000091608560 180205294 /nfs/dbraw/zinc/20/52/94/180205294.db2.gz CGTKBMWBUZIQIS-JKSUJKDBSA-N 1 3 277.412 2.222 10 0 CEAEHO Nc1ccncc1C[C@H](O)C1([NH+]2CCCCC2)CCCC1 ZINC000091641644 180213271 /nfs/dbraw/zinc/21/32/71/180213271.db2.gz RHCWLMSSBLACMD-INIZCTEOSA-N 1 3 289.423 2.366 10 0 CEAEHO CC[NH+](CC)CC[C@H](N)Cc1ccccc1OC ZINC000091715948 180231988 /nfs/dbraw/zinc/23/19/88/180231988.db2.gz UTWUNGTYTIHRFV-AWEZNQCLSA-N 1 3 250.386 2.297 10 0 CEAEHO CCN[C@H](CC[NH+](CC)CC)Cc1ncnn1C(C)C ZINC000091716701 180232254 /nfs/dbraw/zinc/23/22/54/180232254.db2.gz VYBSFMHUTRBRLX-CQSZACIVSA-N 1 3 281.448 2.112 10 0 CEAEHO CC[NH2+][C@H](CCN(CC)CC)Cc1ncnn1C(C)C ZINC000091716701 180232255 /nfs/dbraw/zinc/23/22/55/180232255.db2.gz VYBSFMHUTRBRLX-CQSZACIVSA-N 1 3 281.448 2.112 10 0 CEAEHO CC[C@@H]([NH3+])c1ccn(C[C@H]2CN(C(C)C)CCO2)c1 ZINC000091816430 180261791 /nfs/dbraw/zinc/26/17/91/180261791.db2.gz NMHRGXUJUSDFCY-LSDHHAIUSA-N 1 3 265.401 2.007 10 0 CEAEHO CN([C@@H]1COc2cc(O)ccc21)C1CCC([NH3+])CC1 ZINC000091843752 180268830 /nfs/dbraw/zinc/26/88/30/180268830.db2.gz HOFHJGYEYRFIAK-QIMFLAQGSA-N 1 3 262.353 2.027 10 0 CEAEHO CCCn1cncc1CN(C)C1CCC([NH2+]C)CC1 ZINC000091870965 180277414 /nfs/dbraw/zinc/27/74/14/180277414.db2.gz WXKIXBBCOKOMRI-UHFFFAOYSA-N 1 3 264.417 2.256 10 0 CEAEHO CCN(CC)CCc1noc([C@@H](C(C)C)[C@@H](C)[NH2+]C)n1 ZINC000109496309 186256460 /nfs/dbraw/zinc/25/64/60/186256460.db2.gz NAVIUJNMXOSSIJ-OCCSQVGLSA-N 1 3 282.432 2.301 10 0 CEAEHO CCC[NH2+][C@H](C)[C@@H](C)c1nc(CCN(CC)CC)no1 ZINC000109496301 186256908 /nfs/dbraw/zinc/25/69/08/186256908.db2.gz POJCYJWCCLPNCI-CHWSQXEVSA-N 1 3 282.432 2.446 10 0 CEAEHO C[NH+]1CCC(Oc2cc(CN)nc3ccccc32)CC1 ZINC000109589927 186265233 /nfs/dbraw/zinc/26/52/33/186265233.db2.gz LZXOKBDJNXWUGF-UHFFFAOYSA-N 1 3 271.364 2.167 10 0 CEAEHO CCc1nc(N2CC[C@H](N3CCCC3)C2)sc1C[NH2+]C ZINC000110275662 186289294 /nfs/dbraw/zinc/28/92/94/186289294.db2.gz ORJFTTIKLGLQSN-LBPRGKRZSA-N 1 3 294.468 2.099 10 0 CEAEHO C[NH2+]Cc1sc(N2CC[C@H](N3CCCCC3)C2)nc1C ZINC000110275728 186289474 /nfs/dbraw/zinc/28/94/74/186289474.db2.gz ACQRZVKYVJEAGX-ZDUSSCGKSA-N 1 3 294.468 2.236 10 0 CEAEHO CCN1CCN([C@@H](C[NH3+])c2cc(C)cc(C)c2)C[C@@H]1C ZINC000110708590 186313838 /nfs/dbraw/zinc/31/38/38/186313838.db2.gz SNSCEKCHXWAKDC-RDJZCZTQSA-N 1 3 275.440 2.329 10 0 CEAEHO CCN1CCN([C@@H]2CCCc3ccccc3[C@@H]2[NH3+])C[C@@H]1C ZINC000110714388 186315749 /nfs/dbraw/zinc/31/57/49/186315749.db2.gz FVXCMEIAYHWXPZ-QGTPRVQTSA-N 1 3 287.451 2.417 10 0 CEAEHO CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(SC)cc2)CCN1C ZINC000110711183 186315956 /nfs/dbraw/zinc/31/59/56/186315956.db2.gz DDSKHRLZKGKGOH-ZBFHGGJFSA-N 1 3 293.480 2.434 10 0 CEAEHO CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(F)cc2C)CCN1C ZINC000110710126 186316218 /nfs/dbraw/zinc/31/62/18/186316218.db2.gz GQQZLPQTRJLBBA-ZBFHGGJFSA-N 1 3 279.403 2.160 10 0 CEAEHO Cc1cc(F)ccc1[C@H](C[NH3+])N1CCN(C)C(C)(C)C1 ZINC000110711659 186316241 /nfs/dbraw/zinc/31/62/41/186316241.db2.gz ICOKAIXEGUKUTK-HNNXBMFYSA-N 1 3 279.403 2.160 10 0 CEAEHO CCOCC[N@H+](CC)[C@@](C)(CN)Cc1ccccc1OC ZINC000111117837 186354669 /nfs/dbraw/zinc/35/46/69/186354669.db2.gz CTXFNGDINDBFHT-QGZVFWFLSA-N 1 3 294.439 2.314 10 0 CEAEHO CCOCC[N@@H+](CC)[C@@](C)(CN)Cc1ccccc1OC ZINC000111117837 186354671 /nfs/dbraw/zinc/35/46/71/186354671.db2.gz CTXFNGDINDBFHT-QGZVFWFLSA-N 1 3 294.439 2.314 10 0 CEAEHO CCOCCN(CC)Cc1cccc(C[NH2+]C)c1 ZINC000111123803 186355528 /nfs/dbraw/zinc/35/55/28/186355528.db2.gz CTNGAPJDPQRHOS-UHFFFAOYSA-N 1 3 250.386 2.264 10 0 CEAEHO CC[C@@H]([NH3+])[C@H](c1cccs1)N(C)CCN(C)C ZINC000111129486 186356194 /nfs/dbraw/zinc/35/61/94/186356194.db2.gz MVRHGQIVDRWRCQ-DGCLKSJQSA-N 1 3 255.431 2.020 10 0 CEAEHO CC[C@H]([NH3+])[C@H](c1cccc(C)c1)N(C)CCN(C)C ZINC000111129639 186356448 /nfs/dbraw/zinc/35/64/48/186356448.db2.gz CVAQNIWYKYUNPK-HOTGVXAUSA-N 1 3 263.429 2.267 10 0 CEAEHO C[C@H](C[C@@H](C[NH3+])N(C)CCN(C)C)c1ccccc1 ZINC000111132942 186356462 /nfs/dbraw/zinc/35/64/62/186356462.db2.gz VLGJJNFLIHZGHL-ZBFHGGJFSA-N 1 3 263.429 2.001 10 0 CEAEHO Cc1cc(C)c([C@H](C[NH3+])N(C)CCN(C)C)c(C)c1 ZINC000111132971 186356513 /nfs/dbraw/zinc/35/65/13/186356513.db2.gz CGPYNDNPNOELMA-HNNXBMFYSA-N 1 3 263.429 2.105 10 0 CEAEHO Cc1cc([C@@H](CN)N(C)CCC[NH+](C)C)c(C)s1 ZINC000111133319 186356666 /nfs/dbraw/zinc/35/66/66/186356666.db2.gz BUBCMYHYZQHVDR-CQSZACIVSA-N 1 3 269.458 2.248 10 0 CEAEHO CCC[C@@H]1CC[C@@H](C[NH3+])[C@H](N(C)CCN(C)C)C1 ZINC000111131838 186356760 /nfs/dbraw/zinc/35/67/60/186356760.db2.gz JIARVRFPVZSRSW-QLFBSQMISA-N 1 3 255.450 2.024 10 0 CEAEHO CN(C)CCN(C)C[C@@H]([NH3+])c1cccc2ccccc21 ZINC000111134692 186357872 /nfs/dbraw/zinc/35/78/72/186357872.db2.gz DXDSBBYSBJDNEL-QGZVFWFLSA-N 1 3 271.408 2.333 10 0 CEAEHO CCC[NH2+][C@H](CN(C)CCN(C)C)c1ccccc1 ZINC000111134802 186357932 /nfs/dbraw/zinc/35/79/32/186357932.db2.gz HJVWJFOFCJTZHW-MRXNPFEDSA-N 1 3 263.429 2.221 10 0 CEAEHO CC(C)[NH2+]CC1(CN(C)CCN(C)C)CCCCC1 ZINC000111146619 186358218 /nfs/dbraw/zinc/35/82/18/186358218.db2.gz GXVISHRAAYRNIA-UHFFFAOYSA-N 1 3 269.477 2.428 10 0 CEAEHO CCC[C@](C)(C[NH2+]C(C)C)CN(C)CCN(C)C ZINC000111147307 186358500 /nfs/dbraw/zinc/35/85/00/186358500.db2.gz MLIQTUXKVWYHLW-OAHLLOKOSA-N 1 3 257.466 2.284 10 0 CEAEHO C[NH2+][C@H](c1ccccc1)C(C)(C)CN(C)CCN(C)C ZINC000111147082 186358840 /nfs/dbraw/zinc/35/88/40/186358840.db2.gz FQMODGDWHIJMES-MRXNPFEDSA-N 1 3 277.456 2.467 10 0 CEAEHO C[NH2+][C@@H](CCN(C)CCN(C)C)c1cccc(Cl)c1 ZINC000111146931 186359154 /nfs/dbraw/zinc/35/91/54/186359154.db2.gz NIQSIPUCBIHCGZ-HNNXBMFYSA-N 1 3 283.847 2.484 10 0 CEAEHO CCCNCc1coc(CN(C)CCC[NH+](C)C)c1 ZINC000111150044 186359818 /nfs/dbraw/zinc/35/98/18/186359818.db2.gz IOJFDKIETUAPFJ-UHFFFAOYSA-N 1 3 267.417 2.163 10 0 CEAEHO CC(C)[NH2+]C[C@@]1(CN2CCC[C@@H]2C)CCCOC1 ZINC000111323367 186397748 /nfs/dbraw/zinc/39/77/48/186397748.db2.gz ULZXGQYRYAOPBR-LSDHHAIUSA-N 1 3 254.418 2.266 10 0 CEAEHO CCCN(CCN(C)C)C[C@@]1(C[NH2+]C(C)C)CCCOC1 ZINC000111327474 186398253 /nfs/dbraw/zinc/39/82/53/186398253.db2.gz DZNIGLKCPIRGGO-KRWDZBQOSA-N 1 3 299.503 2.055 10 0 CEAEHO CN(c1cccc(Cl)c1CC[NH3+])C1CCN(C)CC1 ZINC000111478391 186421535 /nfs/dbraw/zinc/42/15/35/186421535.db2.gz BXFPQDRNAIWPJV-UHFFFAOYSA-N 1 3 281.831 2.372 10 0 CEAEHO Cc1cc(N2CCO[C@H]([C@@H](C)[NH3+])C2)c2ccccc2n1 ZINC000156548854 540008285 /nfs/dbraw/zinc/00/82/85/540008285.db2.gz SIINFYDKINVCAI-WBMJQRKESA-N 1 3 271.364 2.096 10 0 CEAEHO CCC[C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)N(C)C ZINC000132413027 366141211 /nfs/dbraw/zinc/14/12/11/366141211.db2.gz CKWFJBZMQTVJHV-MRXNPFEDSA-N 1 3 295.471 2.240 10 0 CEAEHO CN(CCN1CCC[C@@H]([NH+](C)C)C1)Cc1ccc(F)cc1 ZINC000159181190 366884806 /nfs/dbraw/zinc/88/48/06/366884806.db2.gz OKWSCTRYKFTLLR-QGZVFWFLSA-N 1 3 293.430 2.284 10 0 CEAEHO C[C@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]CC(C)(C)O ZINC000634576583 368725797 /nfs/dbraw/zinc/72/57/97/368725797.db2.gz VIDMNOYCLXHQAW-GOEBONIOSA-N 1 3 276.424 2.115 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccc4cccnc43)C[C@H]12 ZINC000261721544 371710465 /nfs/dbraw/zinc/71/04/65/371710465.db2.gz KFYMQUMKPGFUSL-VNQPRFMTSA-N 1 3 267.376 2.404 10 0 CEAEHO NC[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1c1ccccc1 ZINC000261757475 371722526 /nfs/dbraw/zinc/72/25/26/371722526.db2.gz QTUHHPMSKJEPOE-UAGQMJEPSA-N 1 3 274.408 2.087 10 0 CEAEHO NC[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1c1ccccc1 ZINC000261757475 371722530 /nfs/dbraw/zinc/72/25/30/371722530.db2.gz QTUHHPMSKJEPOE-UAGQMJEPSA-N 1 3 274.408 2.087 10 0 CEAEHO CC(C)OC1CCC([NH2+][C@@H]2CCCNCC2)CC1 ZINC000643475785 373143787 /nfs/dbraw/zinc/14/37/87/373143787.db2.gz LNKOZPHDPWRDKJ-WLYUNCDWSA-N 1 3 254.418 2.454 10 0 CEAEHO CCOC(=O)CCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093516650 184686664 /nfs/dbraw/zinc/68/66/64/184686664.db2.gz DZJZXKABFUWQNE-UONOGXRCSA-N 1 3 270.417 2.230 10 0 CEAEHO CCN(CC)C(=O)CCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093515685 184686734 /nfs/dbraw/zinc/68/67/34/184686734.db2.gz LEHQZBQVESXMRF-GJZGRUSLSA-N 1 3 283.460 2.145 10 0 CEAEHO CN[C@H]1[C@H](C[NH+]2CCCCC2)C(C)(C)OC1(C)C ZINC000094427497 184796833 /nfs/dbraw/zinc/79/68/33/184796833.db2.gz SFGMJJBHOOYSPP-STQMWFEESA-N 1 3 254.418 2.264 10 0 CEAEHO C[NH+](C)[C@@H]1CCCN(c2c(CN)cnc3ccccc32)C1 ZINC000091393287 135068210 /nfs/dbraw/zinc/06/82/10/135068210.db2.gz VAVWOOAANCOEDW-CQSZACIVSA-N 1 3 284.407 2.224 10 0 CEAEHO Cc1cccc(N2CCN(C[C@@H]3C=C[C@H]([NH3+])C3)CC2)c1C ZINC000092208957 135076187 /nfs/dbraw/zinc/07/61/87/135076187.db2.gz LQQSPNNLLYJKKY-SJORKVTESA-N 1 3 285.435 2.329 10 0 CEAEHO C[C@@H](C[C@H]1CCC[NH2+]1)NC1CCN(c2ccccn2)CC1 ZINC000093463211 135080890 /nfs/dbraw/zinc/08/08/90/135080890.db2.gz IBJAQKHMIZMEPH-GOEBONIOSA-N 1 3 288.439 2.171 10 0 CEAEHO CO[C@@H]1CC[C@H](N[C@@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000261553668 285745420 /nfs/dbraw/zinc/74/54/20/285745420.db2.gz ALDBSGGSDAOQFU-LJISPDSOSA-N 1 3 254.418 2.454 10 0 CEAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)N1CCCCCC1 ZINC000177024142 165186042 /nfs/dbraw/zinc/18/60/42/165186042.db2.gz WHZLLCWFNSVMDB-CVEARBPZSA-N 1 3 295.471 2.194 10 0 CEAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)N1CCCCCC1 ZINC000177024142 165186045 /nfs/dbraw/zinc/18/60/45/165186045.db2.gz WHZLLCWFNSVMDB-CVEARBPZSA-N 1 3 295.471 2.194 10 0 CEAEHO COc1ccc(C[NH3+])cc1OCCN1CCCCC1 ZINC000011993987 170465871 /nfs/dbraw/zinc/46/58/71/170465871.db2.gz GOMSTLKFSSVILD-UHFFFAOYSA-N 1 3 264.369 2.019 10 0 CEAEHO [NH3+]C[C@H](c1ccc(Cl)cc1)N1CCN(CC2CC2)CC1 ZINC000020179661 171044013 /nfs/dbraw/zinc/04/40/13/171044013.db2.gz SHNSSDFNGIILHR-MRXNPFEDSA-N 1 3 293.842 2.367 10 0 CEAEHO CC(C)CN1CCN([C@@H](C[NH3+])c2cccs2)CC1 ZINC000020179373 171044420 /nfs/dbraw/zinc/04/44/20/171044420.db2.gz WOHFYJUBIWZXCF-ZDUSSCGKSA-N 1 3 267.442 2.022 10 0 CEAEHO CCCC[N@H+](CC)C1(CN)C[C@H]2CC[C@@H](C1)N2C ZINC000020524105 171237457 /nfs/dbraw/zinc/23/74/57/171237457.db2.gz IUNVGEJJVAJYHI-YIONKMFJSA-N 1 3 253.434 2.063 10 0 CEAEHO CCCC[N@@H+](CC)C1(CN)C[C@H]2CC[C@@H](C1)N2C ZINC000020524105 171237458 /nfs/dbraw/zinc/23/74/58/171237458.db2.gz IUNVGEJJVAJYHI-YIONKMFJSA-N 1 3 253.434 2.063 10 0 CEAEHO C(CC1CC[NH2+]CC1)CN1CCO[C@@H]2CCCC[C@H]21 ZINC000050953914 414747981 /nfs/dbraw/zinc/74/79/81/414747981.db2.gz IEFXGTQNGPUAPD-HZPDHXFCSA-N 1 3 266.429 2.410 10 0 CEAEHO CC[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CCCN(C)CC1 ZINC000043818304 175112961 /nfs/dbraw/zinc/11/29/61/175112961.db2.gz ZQCAMCNAHSJPHR-NVXWUHKLSA-N 1 3 275.440 2.363 10 0 CEAEHO CC[C@@H]([C@@H]([NH2+]C)c1ccccc1)N1CCCN(C)CC1 ZINC000043818239 175113314 /nfs/dbraw/zinc/11/33/14/175113314.db2.gz CRUHXEXWLMSRTL-IRXDYDNUSA-N 1 3 275.440 2.363 10 0 CEAEHO CCC[NH2+][C@H](CN1CCCN(C)CC1)c1ccccc1 ZINC000043818502 175113425 /nfs/dbraw/zinc/11/34/25/175113425.db2.gz AGKWGAYSWDSZDS-QGZVFWFLSA-N 1 3 275.440 2.365 10 0 CEAEHO CCC[NH2+][C@@H](C)CCN1CCN(C(C)(C)C)CC1 ZINC000043965720 175127076 /nfs/dbraw/zinc/12/70/76/175127076.db2.gz JHURVPXZRWKQJX-AWEZNQCLSA-N 1 3 255.450 2.181 10 0 CEAEHO CCCC(C[NH3+])(CCC)C(=O)N[C@H]1CCCN(CC)C1 ZINC000044805814 175256635 /nfs/dbraw/zinc/25/66/35/175256635.db2.gz KHTHZCDTHPUUSW-AWEZNQCLSA-N 1 3 283.460 2.132 10 0 CEAEHO C[C@@H](CNC(=O)C1(C[NH3+])CCCCCC1)N1CCCCC1 ZINC000044995375 175287281 /nfs/dbraw/zinc/28/72/81/175287281.db2.gz BJDPTQXHOUNRDI-HNNXBMFYSA-N 1 3 295.471 2.276 10 0 CEAEHO C[N@H+](CCCC[C@](C)(NC1CC1)C(N)=O)C1CCCCC1 ZINC000045379100 175368717 /nfs/dbraw/zinc/36/87/17/175368717.db2.gz QCUYFHPSRRKFCR-KRWDZBQOSA-N 1 3 295.471 2.417 10 0 CEAEHO C[N@@H+](CCCC[C@](C)(NC1CC1)C(N)=O)C1CCCCC1 ZINC000045379100 175368718 /nfs/dbraw/zinc/36/87/18/175368718.db2.gz QCUYFHPSRRKFCR-KRWDZBQOSA-N 1 3 295.471 2.417 10 0 CEAEHO CC[C@@H]1CCC[C@](CN)([N@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071124903 176034997 /nfs/dbraw/zinc/03/49/97/176034997.db2.gz VPJWFKMYOKBSKO-OAGGEKHMSA-N 1 3 267.461 2.168 10 0 CEAEHO CC[C@@H]1CCC[C@](CN)([N@@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071124903 176034998 /nfs/dbraw/zinc/03/49/98/176034998.db2.gz VPJWFKMYOKBSKO-OAGGEKHMSA-N 1 3 267.461 2.168 10 0 CEAEHO COCC[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000071137988 176036352 /nfs/dbraw/zinc/03/63/52/176036352.db2.gz KCRBWVDLQPAFIE-UHFFFAOYSA-N 1 3 292.423 2.143 10 0 CEAEHO CN[C@H](CC[N@H+](C)C[C@@H]1CCN(C)C1)c1ccccc1F ZINC000071191263 176069297 /nfs/dbraw/zinc/06/92/97/176069297.db2.gz KAKFHANRMFQYAG-RHSMWYFYSA-N 1 3 293.430 2.360 10 0 CEAEHO CN[C@H](CC[N@@H+](C)C[C@@H]1CCN(C)C1)c1ccccc1F ZINC000071191263 176069298 /nfs/dbraw/zinc/06/92/98/176069298.db2.gz KAKFHANRMFQYAG-RHSMWYFYSA-N 1 3 293.430 2.360 10 0 CEAEHO CCC(CC)N(CCO)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267878 176101564 /nfs/dbraw/zinc/10/15/64/176101564.db2.gz UJISUNPJQFODGL-UHFFFAOYSA-N 1 3 281.375 2.093 10 0 CEAEHO C[C@H](CN1CCCC1)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071401178 176153449 /nfs/dbraw/zinc/15/34/49/176153449.db2.gz AAOLZPYWPUKKGG-ZBFHGGJFSA-N 1 3 289.423 2.067 10 0 CEAEHO CCC[C@H](CC[NH3+])CCC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000079242135 177454712 /nfs/dbraw/zinc/45/47/12/177454712.db2.gz CPONNLGAOWNRBU-JKSUJKDBSA-N 1 3 295.471 2.228 10 0 CEAEHO CC[C@](C)(O)C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000249393715 280395469 /nfs/dbraw/zinc/39/54/69/280395469.db2.gz RIYMBXMIWBPCFY-YCPHGPKFSA-N 1 3 268.445 2.390 10 0 CEAEHO CC[C@](C)(O)CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249393715 280395471 /nfs/dbraw/zinc/39/54/71/280395471.db2.gz RIYMBXMIWBPCFY-YCPHGPKFSA-N 1 3 268.445 2.390 10 0 CEAEHO CC[C@](C)(O)CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000249393715 280395472 /nfs/dbraw/zinc/39/54/72/280395472.db2.gz RIYMBXMIWBPCFY-YCPHGPKFSA-N 1 3 268.445 2.390 10 0 CEAEHO C[C@H](CN(C)Cc1ccccc1)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000516272849 313086219 /nfs/dbraw/zinc/08/62/19/313086219.db2.gz MZURLLMHXHEIDL-SOLBZPMBSA-N 1 3 289.467 2.485 10 0 CEAEHO CC(C)C[NH2+]CCC[C@H](C)N1CCN(C2CC2)CC1 ZINC000052371371 519743639 /nfs/dbraw/zinc/74/36/39/519743639.db2.gz WJGLHEZPYZOJJV-HNNXBMFYSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[NH2+]Cc1ccc(CN2CCSCC2)cc1 ZINC000052443265 519995906 /nfs/dbraw/zinc/99/59/06/519995906.db2.gz BHICQLWZEVTAMF-UHFFFAOYSA-N 1 3 250.411 2.345 10 0 CEAEHO CC[NH2+]Cc1cccc(CN(CC)CCOC)c1 ZINC000052542654 520003758 /nfs/dbraw/zinc/00/37/58/520003758.db2.gz FPURHQINXRLHCG-UHFFFAOYSA-N 1 3 250.386 2.264 10 0 CEAEHO CC[NH2+][C@H](C)CCCN1CCN([C@@H](C)CC)CC1 ZINC000055065140 520172955 /nfs/dbraw/zinc/17/29/55/520172955.db2.gz OTHUSOVLCCPTRX-CABCVRRESA-N 1 3 255.450 2.181 10 0 CEAEHO CCC[C@@H](C)[NH2+]C[C@@H](C)N1CCN(CC(C)C)CC1 ZINC000055075946 520666480 /nfs/dbraw/zinc/66/64/80/520666480.db2.gz WIRWXPSIZIEATE-HZPDHXFCSA-N 1 3 269.477 2.427 10 0 CEAEHO CCN(CC1(C[NH2+]C(C)C)CCOCC1)C1CC1 ZINC000052181256 520938097 /nfs/dbraw/zinc/93/80/97/520938097.db2.gz GZQMAJLYJYVMKL-UHFFFAOYSA-N 1 3 254.418 2.266 10 0 CEAEHO CCC(CC)(C[NH2+]CC(C)C)CN1CC[C@H](O)C1 ZINC000061711753 521438755 /nfs/dbraw/zinc/43/87/55/521438755.db2.gz YFBYLZJTXNIAHM-AWEZNQCLSA-N 1 3 256.434 2.105 10 0 CEAEHO CCCN(CC[NH+](C)C)[C@H]1CNCc2ccccc21 ZINC000069266812 521658639 /nfs/dbraw/zinc/65/86/39/521658639.db2.gz KVQJJEIKBNEBRK-INIZCTEOSA-N 1 3 261.413 2.105 10 0 CEAEHO CC(C)[NH2+]CC1(CN(CCO)C2CCCC2)CCOCC1 ZINC000052183183 519719606 /nfs/dbraw/zinc/71/96/06/519719606.db2.gz OTKAXDGYEQQVLN-UHFFFAOYSA-N 1 3 298.471 2.018 10 0 CEAEHO CC(C)NCC1(C[N@H+](CCO)C2CCCC2)CCOCC1 ZINC000052183183 519719608 /nfs/dbraw/zinc/71/96/08/519719608.db2.gz OTKAXDGYEQQVLN-UHFFFAOYSA-N 1 3 298.471 2.018 10 0 CEAEHO CC(C)NCC1(C[N@@H+](CCO)C2CCCC2)CCOCC1 ZINC000052183183 519719610 /nfs/dbraw/zinc/71/96/10/519719610.db2.gz OTKAXDGYEQQVLN-UHFFFAOYSA-N 1 3 298.471 2.018 10 0 CEAEHO CC(C)CN1CCN(CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000055081986 519725960 /nfs/dbraw/zinc/72/59/60/519725960.db2.gz VJGAVGFMTSDOSD-KRWDZBQOSA-N 1 3 275.440 2.350 10 0 CEAEHO CCCN1CCN(Cc2ccc(C[NH2+]CC)cc2)CC1 ZINC000052422000 519859125 /nfs/dbraw/zinc/85/91/25/519859125.db2.gz NMXWRAOKIHMAHF-UHFFFAOYSA-N 1 3 275.440 2.324 10 0 CEAEHO CCC[NH2+]C[C@H]1CC[C@@H](CN2CCC(OCC)CC2)O1 ZINC000052484086 519938813 /nfs/dbraw/zinc/93/88/13/519938813.db2.gz VECSLBCZCJOZIW-CVEARBPZSA-N 1 3 284.444 2.035 10 0 CEAEHO CC[NH2+]C[C@@](C)(CC)CN1CCN([C@H](C)CC)CC1 ZINC000055071844 519957822 /nfs/dbraw/zinc/95/78/22/519957822.db2.gz UDIMTZGCNNTCLY-HZPDHXFCSA-N 1 3 269.477 2.428 10 0 CEAEHO CCC[NH2+][C@H](CN(C)[C@@H]1CCCN(C)C1)C(C)(C)C ZINC000053245018 520080691 /nfs/dbraw/zinc/08/06/91/520080691.db2.gz BZAMQJZIORWEJO-HUUCEWRRSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1N1CCCN(C)CC1 ZINC000054554796 520217899 /nfs/dbraw/zinc/21/78/99/520217899.db2.gz NUUAFNNKODKQGB-IKGGRYGDSA-N 1 3 281.488 2.427 10 0 CEAEHO CCC[C@@H](C)[NH2+]C[C@@H](C)N1CCC[C@@H]1CN(C)C ZINC000061655157 520666581 /nfs/dbraw/zinc/66/65/81/520666581.db2.gz ZUEPIQNCQRGCLG-RBSFLKMASA-N 1 3 255.450 2.179 10 0 CEAEHO CC[N@H+](CC1(CNC2CC2)CCOCC1)C(C)C ZINC000052181320 520938261 /nfs/dbraw/zinc/93/82/61/520938261.db2.gz CPDXGBIKJHPSRT-UHFFFAOYSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[N@@H+](CC1(CNC2CC2)CCOCC1)C(C)C ZINC000052181320 520938275 /nfs/dbraw/zinc/93/82/75/520938275.db2.gz CPDXGBIKJHPSRT-UHFFFAOYSA-N 1 3 254.418 2.266 10 0 CEAEHO CCN(CC1(C[NH2+]C2CC2)CCOCC1)C(C)C ZINC000052181320 520938279 /nfs/dbraw/zinc/93/82/79/520938279.db2.gz CPDXGBIKJHPSRT-UHFFFAOYSA-N 1 3 254.418 2.266 10 0 CEAEHO CCC[C@H](C)[NH2+]C[C@H](C)N1CCC[C@@H]1CN(C)C ZINC000061655160 521060996 /nfs/dbraw/zinc/06/09/96/521060996.db2.gz ZUEPIQNCQRGCLG-SOUVJXGZSA-N 1 3 255.450 2.179 10 0 CEAEHO CCOc1ccccc1[C@@H](N)CN1CCC[C@@H]1C[NH+](C)C ZINC000061643519 521579820 /nfs/dbraw/zinc/57/98/20/521579820.db2.gz FXBCHXGUWSWDMG-ZBFHGGJFSA-N 1 3 291.439 2.111 10 0 CEAEHO CCC(CC)[C@H](CNC(=O)CNCC1CC1)[NH+]1CCCC1 ZINC000164392165 521616642 /nfs/dbraw/zinc/61/66/42/521616642.db2.gz BYNDVYHSEBQZKP-INIZCTEOSA-N 1 3 295.471 2.003 10 0 CEAEHO CCN1CCN([C@@H](C)CCC[NH2+]C(C)(C)C)CC1 ZINC000052422441 521690274 /nfs/dbraw/zinc/69/02/74/521690274.db2.gz RMKIXEVHKNVMHX-AWEZNQCLSA-N 1 3 255.450 2.181 10 0 CEAEHO CCN1CCN([C@H](C)CCC[NH2+]C(C)(C)C)CC1 ZINC000052422443 521693807 /nfs/dbraw/zinc/69/38/07/521693807.db2.gz RMKIXEVHKNVMHX-CQSZACIVSA-N 1 3 255.450 2.181 10 0 CEAEHO C[NH2+]C[C@H]1CC[C@H](CN(C)Cc2ccc(F)cc2)O1 ZINC000052346219 522095836 /nfs/dbraw/zinc/09/58/36/522095836.db2.gz YILZUWGIVYZMAW-HUUCEWRRSA-N 1 3 266.360 2.025 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](C[NH2+]C)c2ccccc2)CC1 ZINC000055074147 522128969 /nfs/dbraw/zinc/12/89/69/522128969.db2.gz KALXNKRSWVGFHM-WBVHZDCISA-N 1 3 275.440 2.363 10 0 CEAEHO CNCc1ccccc1OCC[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000052543837 522140408 /nfs/dbraw/zinc/14/04/08/522140408.db2.gz PMZICNWNTFXMDC-DZGCQCFKSA-N 1 3 260.381 2.269 10 0 CEAEHO CNCc1ccccc1OCC[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC000052543837 522140416 /nfs/dbraw/zinc/14/04/16/522140416.db2.gz PMZICNWNTFXMDC-DZGCQCFKSA-N 1 3 260.381 2.269 10 0 CEAEHO C[NH2+]Cc1sc2ccccc2c1CN1CCN(C)CC1 ZINC000052379196 522168628 /nfs/dbraw/zinc/16/86/28/522168628.db2.gz OEEIDZKQQXSHRN-UHFFFAOYSA-N 1 3 289.448 2.368 10 0 CEAEHO COc1cc2c(cc1OC)CN(C1CCC([NH3+])CC1)CC2 ZINC000055144260 523030752 /nfs/dbraw/zinc/03/07/52/523030752.db2.gz ARYRTJGNYWCHPI-UHFFFAOYSA-N 1 3 290.407 2.332 10 0 CEAEHO COCCCN(CCOC)[C@H](C)CC[NH2+]C(C)(C)C ZINC000052543332 523257311 /nfs/dbraw/zinc/25/73/11/523257311.db2.gz GEZPVSOEYCCHJD-CQSZACIVSA-N 1 3 274.449 2.138 10 0 CEAEHO CN1CCN(Cc2c3ccccc3sc2C[NH3+])CC1 ZINC000052379420 523909377 /nfs/dbraw/zinc/90/93/77/523909377.db2.gz HGMOFWRJSOCZEV-UHFFFAOYSA-N 1 3 275.421 2.107 10 0 CEAEHO CC[C@H](C)N1CCN(CC[C@H]([NH2+]C)C(C)(C)C)CC1 ZINC000055072441 523954521 /nfs/dbraw/zinc/95/45/21/523954521.db2.gz ZSJHKYIFRWKLQT-GJZGRUSLSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@H](C)N1CCN([C@H]2Cc3ccccc3[C@@H]2[NH2+]C)CC1 ZINC000055065273 523959839 /nfs/dbraw/zinc/95/98/39/523959839.db2.gz WNXKOJJANRFCSA-WBAXXEDZSA-N 1 3 287.451 2.288 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C[NH3+])c2cc(F)ccc2F)CC1 ZINC000055064304 523959847 /nfs/dbraw/zinc/95/98/47/523959847.db2.gz DUAPZTDVQSFLFV-BLLLJJGKSA-N 1 3 297.393 2.381 10 0 CEAEHO CCc1ccc([C@@H](CN)N2CCC[C@@H]2C[NH+](C)C)s1 ZINC000061642756 524028041 /nfs/dbraw/zinc/02/80/41/524028041.db2.gz BMJCBPRYOBFNFA-TZMCWYRMSA-N 1 3 281.469 2.336 10 0 CEAEHO Cc1cccc(CN(C)CC2(C[NH3+])CCOCC2)c1 ZINC000052198209 524375306 /nfs/dbraw/zinc/37/53/06/524375306.db2.gz BDWNSJDQZJSSDK-UHFFFAOYSA-N 1 3 262.397 2.182 10 0 CEAEHO Cc1cccc(C[N@@H+](C)CC2(CN)CCOCC2)c1 ZINC000052198209 524375310 /nfs/dbraw/zinc/37/53/10/524375310.db2.gz BDWNSJDQZJSSDK-UHFFFAOYSA-N 1 3 262.397 2.182 10 0 CEAEHO Cc1cccc(C[N@H+](C)CC2(CN)CCOCC2)c1 ZINC000052198209 524375318 /nfs/dbraw/zinc/37/53/18/524375318.db2.gz BDWNSJDQZJSSDK-UHFFFAOYSA-N 1 3 262.397 2.182 10 0 CEAEHO C[C@@H](C[NH2+]C(C)(C)C)CN1CCN(CC2CC2)CC1 ZINC000052372431 524734645 /nfs/dbraw/zinc/73/46/45/524734645.db2.gz ZXAWTJLZPDQMNN-AWEZNQCLSA-N 1 3 267.461 2.038 10 0 CEAEHO C[C@@H]1[C@@H](C)CCC[C@@]1(CN)[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000068629868 525646689 /nfs/dbraw/zinc/64/66/89/525646689.db2.gz BUBKGUNDSUYVMO-YVSFHVDLSA-N 1 3 279.472 2.310 10 0 CEAEHO C[C@@H]1[C@@H](C)CCC[C@@]1(CN)[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000068629868 525646701 /nfs/dbraw/zinc/64/67/01/525646701.db2.gz BUBKGUNDSUYVMO-YVSFHVDLSA-N 1 3 279.472 2.310 10 0 CEAEHO C[C@H]([C@H](N)c1ccccc1)[N@H+](C)C1CCN(C)CC1 ZINC000052684815 526031627 /nfs/dbraw/zinc/03/16/27/526031627.db2.gz RHVNETGXFISIEE-CJNGLKHVSA-N 1 3 261.413 2.101 10 0 CEAEHO C[C@H]([C@H](N)c1ccccc1)[N@@H+](C)C1CCN(C)CC1 ZINC000052684815 526031640 /nfs/dbraw/zinc/03/16/40/526031640.db2.gz RHVNETGXFISIEE-CJNGLKHVSA-N 1 3 261.413 2.101 10 0 CEAEHO C[C@H](C1CC1)[N@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052181788 526204912 /nfs/dbraw/zinc/20/49/12/526204912.db2.gz BYTYCCLOTIFYAT-CYBMUJFWSA-N 1 3 266.429 2.266 10 0 CEAEHO C[C@H](C1CC1)[N@@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052181788 526204942 /nfs/dbraw/zinc/20/49/42/526204942.db2.gz BYTYCCLOTIFYAT-CYBMUJFWSA-N 1 3 266.429 2.266 10 0 CEAEHO c1ccc(N2CCN(C[C@@H]3CC34CC[NH2+]CC4)CC2)cc1 ZINC000070257020 526480989 /nfs/dbraw/zinc/48/09/89/526480989.db2.gz ZYEZFTGNSAOWFD-INIZCTEOSA-N 1 3 285.435 2.198 10 0 CEAEHO Cc1oc(CNCC(C)C)cc1COCC[NH+](C)C ZINC000052669901 526775261 /nfs/dbraw/zinc/77/52/61/526775261.db2.gz OBHDOOIQSWZBKU-UHFFFAOYSA-N 1 3 268.401 2.412 10 0 CEAEHO NC(=[NH2+])c1ccc(N2CCN(C3CCCC3)CC2)c(F)c1 ZINC000052061994 526823147 /nfs/dbraw/zinc/82/31/47/526823147.db2.gz AHDQWVITUGOIGU-UHFFFAOYSA-N 1 3 290.386 2.174 10 0 CEAEHO Cc1nc(N(C)C2CCN(C)CC2)sc1C[NH2+]C1CC1 ZINC000054994897 526949622 /nfs/dbraw/zinc/94/96/22/526949622.db2.gz DLSGKNXIKQZISG-UHFFFAOYSA-N 1 3 294.468 2.234 10 0 CEAEHO CC(C)CN1CCC2(CC1)[NH2+]CC[C@H](C(F)F)O2 ZINC000757148397 574510596 /nfs/dbraw/zinc/51/05/96/574510596.db2.gz UKTKXFVSQMKBGG-LLVKDONJSA-N 1 3 262.344 2.078 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cncc4ccccc43)C[C@@H]12 ZINC000312652278 628360631 /nfs/dbraw/zinc/36/06/31/628360631.db2.gz FXGZAMIRLUZIPB-KBRIMQKVSA-N 1 3 267.376 2.404 10 0 CEAEHO C[C@@H](Cc1ccc(O)cc1)N(C)C[C@H]1CCC[NH2+]C1 ZINC000261564033 628938909 /nfs/dbraw/zinc/93/89/09/628938909.db2.gz CEUMRPKTQCSROY-ZFWWWQNUSA-N 1 3 262.397 2.255 10 0 CEAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccnc4ccccc34)C[C@@H]12 ZINC000381839653 344825374 /nfs/dbraw/zinc/82/53/74/344825374.db2.gz JSQVPIKDTDGGRV-APHBMKBZSA-N 1 3 267.376 2.404 10 0 CEAEHO CCC[NH2+][C@@H](C)C[C@@H](C)N1CCN(CC(C)C)CC1 ZINC000084392168 178880187 /nfs/dbraw/zinc/88/01/87/178880187.db2.gz JDEBNFTVTJRQHW-JKSUJKDBSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1CCn1ccnc1C ZINC000085510335 179086015 /nfs/dbraw/zinc/08/60/15/179086015.db2.gz LSTCYUHNPPGNTL-CVEARBPZSA-N 1 3 276.428 2.044 10 0 CEAEHO CC[C@@H]1CN[C@](C)(C2CC2)C[N@H+]1CCn1ccnc1C ZINC000085510335 179086018 /nfs/dbraw/zinc/08/60/18/179086018.db2.gz LSTCYUHNPPGNTL-CVEARBPZSA-N 1 3 276.428 2.044 10 0 CEAEHO CCC[C@@H]1CN[C@H](C2CC2)C[N@@H+]1CCn1ccnc1C ZINC000085523433 179088475 /nfs/dbraw/zinc/08/84/75/179088475.db2.gz XWTZZHQBEYXSOP-CVEARBPZSA-N 1 3 276.428 2.044 10 0 CEAEHO CCC[C@@H]1CN[C@H](C2CC2)C[N@H+]1CCn1ccnc1C ZINC000085523433 179088477 /nfs/dbraw/zinc/08/84/77/179088477.db2.gz XWTZZHQBEYXSOP-CVEARBPZSA-N 1 3 276.428 2.044 10 0 CEAEHO CC[C@@]1(C)C[N@H+](CCn2ccnc2C)C(C)(C)CN1 ZINC000085496405 179083673 /nfs/dbraw/zinc/08/36/73/179083673.db2.gz NNFABEHAWBLIGG-HNNXBMFYSA-N 1 3 264.417 2.044 10 0 CEAEHO CC[C@@]1(C)C[N@@H+](CCn2ccnc2C)C(C)(C)CN1 ZINC000085496405 179083674 /nfs/dbraw/zinc/08/36/74/179083674.db2.gz NNFABEHAWBLIGG-HNNXBMFYSA-N 1 3 264.417 2.044 10 0 CEAEHO CC[C@@]1(C)CN[C@H](C2CC2)C[N@@H+]1CCn1ccnc1C ZINC000085528383 179090808 /nfs/dbraw/zinc/09/08/08/179090808.db2.gz LLNIPHUWXVEOOW-HOTGVXAUSA-N 1 3 276.428 2.044 10 0 CEAEHO CC[C@@]1(C)CN[C@H](C2CC2)C[N@H+]1CCn1ccnc1C ZINC000085528383 179090809 /nfs/dbraw/zinc/09/08/09/179090809.db2.gz LLNIPHUWXVEOOW-HOTGVXAUSA-N 1 3 276.428 2.044 10 0 CEAEHO Cc1cc(C[C@H](C)[NH3+])ccc1N1CCN(CC2CC2)CC1 ZINC000111511712 136563163 /nfs/dbraw/zinc/56/31/63/136563163.db2.gz GYKGFSVDFYUNMG-HNNXBMFYSA-N 1 3 287.451 2.417 10 0 CEAEHO CC[C@@H]1CN[C@H](C(C)C)C[N@@H+]1[C@@H]1CCCN(CC)C1 ZINC000086172521 179245118 /nfs/dbraw/zinc/24/51/18/179245118.db2.gz QGASANBRWDEDOY-OAGGEKHMSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1CN[C@H](C(C)C)C[N@H+]1[C@@H]1CCCN(CC)C1 ZINC000086172521 179245120 /nfs/dbraw/zinc/24/51/20/179245120.db2.gz QGASANBRWDEDOY-OAGGEKHMSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1[C@@H]1CCCN(CC)C1 ZINC000086172521 179245121 /nfs/dbraw/zinc/24/51/21/179245121.db2.gz QGASANBRWDEDOY-OAGGEKHMSA-N 1 3 267.461 2.179 10 0 CEAEHO CN1CCC[C@@H](C[N@@H+]2CCN[C@](C)(c3ccccc3)C2)C1 ZINC000086145746 179239147 /nfs/dbraw/zinc/23/91/47/179239147.db2.gz JBQKDJPNUOPXAF-AEFFLSMTSA-N 1 3 287.451 2.149 10 0 CEAEHO CN1CCC[C@@H](C[N@H+]2CCN[C@](C)(c3ccccc3)C2)C1 ZINC000086145746 179239149 /nfs/dbraw/zinc/23/91/49/179239149.db2.gz JBQKDJPNUOPXAF-AEFFLSMTSA-N 1 3 287.451 2.149 10 0 CEAEHO CC[C@H]1CNC2(CCCCC2)C[N@@H+]1C1CCN(C)CC1 ZINC000086217838 179249574 /nfs/dbraw/zinc/24/95/74/179249574.db2.gz YALPJIAVLFXQIH-HNNXBMFYSA-N 1 3 279.472 2.467 10 0 CEAEHO CC[C@H]1CNC2(CCCCC2)C[N@H+]1C1CCN(C)CC1 ZINC000086217838 179249577 /nfs/dbraw/zinc/24/95/77/179249577.db2.gz YALPJIAVLFXQIH-HNNXBMFYSA-N 1 3 279.472 2.467 10 0 CEAEHO C[C@H]1C[NH2+][C@H](C2CCCCC2)CN1C1CCN(C)CC1 ZINC000086217824 179249977 /nfs/dbraw/zinc/24/99/77/179249977.db2.gz JORVJRSHZZPYHD-YOEHRIQHSA-N 1 3 279.472 2.323 10 0 CEAEHO C[C@H]1CN[C@H](C2CCCCC2)C[N@@H+]1C1CCN(C)CC1 ZINC000086217824 179249978 /nfs/dbraw/zinc/24/99/78/179249978.db2.gz JORVJRSHZZPYHD-YOEHRIQHSA-N 1 3 279.472 2.323 10 0 CEAEHO C[C@H]1CN[C@H](C2CCCCC2)C[N@H+]1C1CCN(C)CC1 ZINC000086217824 179249980 /nfs/dbraw/zinc/24/99/80/179249980.db2.gz JORVJRSHZZPYHD-YOEHRIQHSA-N 1 3 279.472 2.323 10 0 CEAEHO CCN1CC[C@@H](C[N@@H+]2C[C@H](C3CC3)NC[C@@H]2C(C)C)C1 ZINC000086223019 179250489 /nfs/dbraw/zinc/25/04/89/179250489.db2.gz NDESTCBSEFKPDJ-DJIMGWMZSA-N 1 3 279.472 2.037 10 0 CEAEHO CCN1CC[C@@H](C[N@H+]2C[C@H](C3CC3)NC[C@@H]2C(C)C)C1 ZINC000086223019 179250492 /nfs/dbraw/zinc/25/04/92/179250492.db2.gz NDESTCBSEFKPDJ-DJIMGWMZSA-N 1 3 279.472 2.037 10 0 CEAEHO CC[C@H]1CN[C@@](C)(CC)C[N@@H+]1C[C@@H]1CCN(CC)C1 ZINC000086223033 179250931 /nfs/dbraw/zinc/25/09/31/179250931.db2.gz OBNNTZZJWGASKE-PMPSAXMXSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@H]1CN[C@@](C)(CC)C[N@H+]1C[C@@H]1CCN(CC)C1 ZINC000086223033 179250933 /nfs/dbraw/zinc/25/09/33/179250933.db2.gz OBNNTZZJWGASKE-PMPSAXMXSA-N 1 3 267.461 2.181 10 0 CEAEHO CC(C)[C@@H]1CNC2(CCCC2)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223180 179252168 /nfs/dbraw/zinc/25/21/68/179252168.db2.gz ACMYABMKFUEBPO-CVEARBPZSA-N 1 3 279.472 2.181 10 0 CEAEHO CC(C)[C@@H]1CNC2(CCCC2)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223180 179252169 /nfs/dbraw/zinc/25/21/69/179252169.db2.gz ACMYABMKFUEBPO-CVEARBPZSA-N 1 3 279.472 2.181 10 0 CEAEHO C[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1[C@@H]1CCCN(C)C1 ZINC000086223958 179253305 /nfs/dbraw/zinc/25/33/05/179253305.db2.gz HMRFOEJLMKOTKM-DJIMGWMZSA-N 1 3 279.472 2.323 10 0 CEAEHO C[C@@H]1C[NH2+]C2(CCCCC2)CN1[C@@H]1CCCN(C)C1 ZINC000086223950 179253335 /nfs/dbraw/zinc/25/33/35/179253335.db2.gz ZFZXVBZHJINOMN-HUUCEWRRSA-N 1 3 265.445 2.077 10 0 CEAEHO C[C@@H]1CNC2(CCCCC2)C[N@@H+]1[C@@H]1CCCN(C)C1 ZINC000086223950 179253338 /nfs/dbraw/zinc/25/33/38/179253338.db2.gz ZFZXVBZHJINOMN-HUUCEWRRSA-N 1 3 265.445 2.077 10 0 CEAEHO C[C@@H]1CNC2(CCCCC2)C[N@H+]1[C@@H]1CCCN(C)C1 ZINC000086223950 179253340 /nfs/dbraw/zinc/25/33/40/179253340.db2.gz ZFZXVBZHJINOMN-HUUCEWRRSA-N 1 3 265.445 2.077 10 0 CEAEHO CCN1CCC[C@H]([N@@H+]2C[C@H](C3CC3)NC[C@@H]2C(C)C)C1 ZINC000086225396 179253944 /nfs/dbraw/zinc/25/39/44/179253944.db2.gz RVKASVJOFZVBDT-GVDBMIGSSA-N 1 3 279.472 2.179 10 0 CEAEHO CCN1CCC[C@H]([N@H+]2C[C@H](C3CC3)NC[C@@H]2C(C)C)C1 ZINC000086225396 179253946 /nfs/dbraw/zinc/25/39/46/179253946.db2.gz RVKASVJOFZVBDT-GVDBMIGSSA-N 1 3 279.472 2.179 10 0 CEAEHO CC[C@H]1CN[C@H](CC(C)C)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259278 179257745 /nfs/dbraw/zinc/25/77/45/179257745.db2.gz GPWJOCOWKYWPGZ-ZACQAIPSSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@H]1CN[C@H](CC(C)C)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259278 179257747 /nfs/dbraw/zinc/25/77/47/179257747.db2.gz GPWJOCOWKYWPGZ-ZACQAIPSSA-N 1 3 281.488 2.427 10 0 CEAEHO C[C@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259264 179257939 /nfs/dbraw/zinc/25/79/39/179257939.db2.gz NMODZGHGFFQCMW-RRFJBIMHSA-N 1 3 267.461 2.037 10 0 CEAEHO C[C@H]1CN[C@@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259264 179257941 /nfs/dbraw/zinc/25/79/41/179257941.db2.gz NMODZGHGFFQCMW-RRFJBIMHSA-N 1 3 267.461 2.037 10 0 CEAEHO CC(C)[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259207 179258550 /nfs/dbraw/zinc/25/85/50/179258550.db2.gz ZFLSCRZRLAVYLQ-NJAFHUGGSA-N 1 3 293.499 2.427 10 0 CEAEHO CC(C)[C@@H]1CN[C@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259207 179258551 /nfs/dbraw/zinc/25/85/51/179258551.db2.gz ZFLSCRZRLAVYLQ-NJAFHUGGSA-N 1 3 293.499 2.427 10 0 CEAEHO CC[C@@H](C)[C@H]1C[N@H+](CC[C@@H]2CCCO2)CCCN1 ZINC000086291373 179265594 /nfs/dbraw/zinc/26/55/94/179265594.db2.gz WWQGWETVOVRNCY-QLFBSQMISA-N 1 3 254.418 2.266 10 0 CEAEHO CC[C@@H](C)[C@H]1C[N@@H+](CC[C@@H]2CCCO2)CCCN1 ZINC000086291373 179265597 /nfs/dbraw/zinc/26/55/97/179265597.db2.gz WWQGWETVOVRNCY-QLFBSQMISA-N 1 3 254.418 2.266 10 0 CEAEHO CC[C@@H](C)[C@H]1CN(CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291373 179265599 /nfs/dbraw/zinc/26/55/99/179265599.db2.gz WWQGWETVOVRNCY-QLFBSQMISA-N 1 3 254.418 2.266 10 0 CEAEHO [NH3+][C@@H]1CC[C@H](NCc2cccc(Br)c2)C1 ZINC000086399734 179285306 /nfs/dbraw/zinc/28/53/06/179285306.db2.gz ROIKHTZIIOOGLB-NEPJUHHUSA-N 1 3 269.186 2.419 10 0 CEAEHO CN[C@@H]1CCCc2sc(N(C)C3CC[NH+](C)CC3)nc21 ZINC000086442034 179293931 /nfs/dbraw/zinc/29/39/31/179293931.db2.gz UWCXOPMIVCCYKY-GFCCVEGCSA-N 1 3 294.468 2.270 10 0 CEAEHO C[N@@H+]1CCC[C@@H](NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000086818816 179347337 /nfs/dbraw/zinc/34/73/37/179347337.db2.gz PPFQJQYCHDGICC-CABCVRRESA-N 1 3 260.381 2.064 10 0 CEAEHO C[N@H+]1CCC[C@@H](NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000086818816 179347338 /nfs/dbraw/zinc/34/73/38/179347338.db2.gz PPFQJQYCHDGICC-CABCVRRESA-N 1 3 260.381 2.064 10 0 CEAEHO C[C@H](C[NH2+][C@@H]1CCCN(C)CC1)CN1CCCCC1 ZINC000086818834 179348509 /nfs/dbraw/zinc/34/85/09/179348509.db2.gz NEKOTMUPEZYDDP-HZPDHXFCSA-N 1 3 267.461 2.182 10 0 CEAEHO CN1CCC[C@@](CN)([N@@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000086819540 179348518 /nfs/dbraw/zinc/34/85/18/179348518.db2.gz IKUSGCBUIXYVEE-ZWKOTPCHSA-N 1 3 287.451 2.289 10 0 CEAEHO CN1CCC[C@@](CN)([N@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000086819540 179348520 /nfs/dbraw/zinc/34/85/20/179348520.db2.gz IKUSGCBUIXYVEE-ZWKOTPCHSA-N 1 3 287.451 2.289 10 0 CEAEHO CC[C@@H]1CN(CC[NH2+]Cc2ccc(C)s2)CCN1C ZINC000104138804 185906583 /nfs/dbraw/zinc/90/65/83/185906583.db2.gz CTQVHXFRPFXRSS-CQSZACIVSA-N 1 3 281.469 2.172 10 0 CEAEHO c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CCCNCC1 ZINC000128881826 187395791 /nfs/dbraw/zinc/39/57/91/187395791.db2.gz ADGLBVVYORXMMH-CQSZACIVSA-N 1 3 257.381 2.442 10 0 CEAEHO c1[nH]c2ccccc2c1CCN[C@@H]1CCC[NH2+]CC1 ZINC000128881826 187395793 /nfs/dbraw/zinc/39/57/93/187395793.db2.gz ADGLBVVYORXMMH-CQSZACIVSA-N 1 3 257.381 2.442 10 0 CEAEHO C[C@H](N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400414587 233177336 /nfs/dbraw/zinc/17/73/36/233177336.db2.gz VADMUNJMIUQYEA-CYGHRXIMSA-N 1 3 287.451 2.237 10 0 CEAEHO CC[NH2+]CC1(CN2CCCN(C)CC2)CCC(C)CC1 ZINC000089579749 179824163 /nfs/dbraw/zinc/82/41/63/179824163.db2.gz NQRDWIPTHNIVPY-UHFFFAOYSA-N 1 3 281.488 2.430 10 0 CEAEHO CCCN[C@H]1COC[C@H]1C[NH2+]Cc1cc(C)c(C)s1 ZINC000090567196 180006973 /nfs/dbraw/zinc/00/69/73/180006973.db2.gz CLNFNXBAMHNIKI-HIFRSBDPSA-N 1 3 282.453 2.469 10 0 CEAEHO CO[C@@H]1CCC[C@H]([N@@H+]2CCC[C@@H]2[C@@H]2CCCNC2)C1 ZINC000090693747 180025804 /nfs/dbraw/zinc/02/58/04/180025804.db2.gz HTRQOKWWHLSNCG-QKPAOTATSA-N 1 3 266.429 2.408 10 0 CEAEHO CO[C@@H]1CCC[C@H]([N@H+]2CCC[C@@H]2[C@@H]2CCCNC2)C1 ZINC000090693747 180025807 /nfs/dbraw/zinc/02/58/07/180025807.db2.gz HTRQOKWWHLSNCG-QKPAOTATSA-N 1 3 266.429 2.408 10 0 CEAEHO C(C[C@@H]1CCCO1)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCNC1 ZINC000090693641 180026454 /nfs/dbraw/zinc/02/64/54/180026454.db2.gz TZNLKMPFUXZBCS-BZUAXINKSA-N 1 3 266.429 2.410 10 0 CEAEHO C(C[C@@H]1CCCO1)C[N@H+]1CCC[C@@H]1[C@@H]1CCCNC1 ZINC000090693641 180026456 /nfs/dbraw/zinc/02/64/56/180026456.db2.gz TZNLKMPFUXZBCS-BZUAXINKSA-N 1 3 266.429 2.410 10 0 CEAEHO Cc1ccc2c(c1)C[C@@H](CN[C@@H](C)CC[NH+](C)C)O2 ZINC000090897739 180056934 /nfs/dbraw/zinc/05/69/34/180056934.db2.gz QUYJJSKYNVXJHV-ZFWWWQNUSA-N 1 3 262.397 2.228 10 0 CEAEHO c1ccc2c(c1)CCN(CC[C@@H]1CSCC[NH2+]1)CC2 ZINC000091292338 180123772 /nfs/dbraw/zinc/12/37/72/180123772.db2.gz NGBIZDZDJYDTOJ-MRXNPFEDSA-N 1 3 276.449 2.182 10 0 CEAEHO c1ccc([C@@H]2C[C@H]2NCC[C@@H]2CSCC[NH2+]2)cc1 ZINC000091292193 180123829 /nfs/dbraw/zinc/12/38/29/180123829.db2.gz RLBJJGYAMXJXRO-QLFBSQMISA-N 1 3 262.422 2.227 10 0 CEAEHO CCCNCc1csc(N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000091449937 180158181 /nfs/dbraw/zinc/15/81/81/180158181.db2.gz JENCCPWDNYSXRI-CYBMUJFWSA-N 1 3 282.457 2.173 10 0 CEAEHO CCC[NH2+]CC[C@@](C)(O)[C@H]1NCCc2ccccc21 ZINC000091467546 180164507 /nfs/dbraw/zinc/16/45/07/180164507.db2.gz FQWSWZDQIIBPKB-JKSUJKDBSA-N 1 3 262.397 2.014 10 0 CEAEHO CC[C@H]([C@H](N)c1ccccc1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091392309 180144792 /nfs/dbraw/zinc/14/47/92/180144792.db2.gz XCONYSFBAJVMMN-GVDBMIGSSA-N 1 3 275.440 2.491 10 0 CEAEHO C[NH2+][C@H](C)C(C)(C)CN(CCOC)[C@@H](C)C1CC1 ZINC000091403989 180147285 /nfs/dbraw/zinc/14/72/85/180147285.db2.gz UTVKLXFMUYSRRC-QWHCGFSZSA-N 1 3 256.434 2.367 10 0 CEAEHO CN[C@H](C)C(C)(C)C[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000091403989 180147286 /nfs/dbraw/zinc/14/72/86/180147286.db2.gz UTVKLXFMUYSRRC-QWHCGFSZSA-N 1 3 256.434 2.367 10 0 CEAEHO CN[C@H](C)C(C)(C)C[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000091403989 180147287 /nfs/dbraw/zinc/14/72/87/180147287.db2.gz UTVKLXFMUYSRRC-QWHCGFSZSA-N 1 3 256.434 2.367 10 0 CEAEHO CCC(CC)([C@@H](Cc1cnn(C)c1)NC)[NH+]1CCCC1 ZINC000091635110 180211711 /nfs/dbraw/zinc/21/17/11/180211711.db2.gz JJKHPKOAWWYCJM-OAHLLOKOSA-N 1 3 278.444 2.205 10 0 CEAEHO CC[NH+](CC)C1([C@H](NC)[C@@H]2CCOC2)CCCC1 ZINC000091639430 180212515 /nfs/dbraw/zinc/21/25/15/180212515.db2.gz UCDKNTKMDDRVSV-ZIAGYGMSSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[NH+](CC)C1([C@@H](Cc2ccnc(N)c2)NC)CCCC1 ZINC000091639436 180212689 /nfs/dbraw/zinc/21/26/89/180212689.db2.gz XFQSZAJKHMDYTR-OAHLLOKOSA-N 1 3 290.455 2.449 10 0 CEAEHO CC[NH+](CC)CC[C@@H](N)Cc1ccncc1Cl ZINC000091715757 180231972 /nfs/dbraw/zinc/23/19/72/180231972.db2.gz FWTNYZDPPRCSLI-GFCCVEGCSA-N 1 3 255.793 2.337 10 0 CEAEHO CC[NH+](CC)CC[C@H](N)Cc1ccc(OC)c(F)c1 ZINC000091715696 180232727 /nfs/dbraw/zinc/23/27/27/180232727.db2.gz NWTIDLAXUOLFDY-ZDUSSCGKSA-N 1 3 268.376 2.436 10 0 CEAEHO N[C@H](Cc1ccc(Cl)cc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720474 180235314 /nfs/dbraw/zinc/23/53/14/180235314.db2.gz AFRCRRSJVFDYBA-KFWWJZLASA-N 1 3 280.799 2.073 10 0 CEAEHO N[C@H](Cc1ccc(Cl)cc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720474 180235317 /nfs/dbraw/zinc/23/53/17/180235317.db2.gz AFRCRRSJVFDYBA-KFWWJZLASA-N 1 3 280.799 2.073 10 0 CEAEHO CCN(C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C)C1CCC([NH3+])CC1 ZINC000091850408 180272286 /nfs/dbraw/zinc/27/22/86/180272286.db2.gz GWMIKYRZHIGUKQ-QGBVMSHASA-N 1 3 295.471 2.366 10 0 CEAEHO CC[NH2+]C1CCC(N(C)CC(=O)N2CCCCCC2)CC1 ZINC000091870296 180277224 /nfs/dbraw/zinc/27/72/24/180277224.db2.gz NDSUUCFSBYFCEJ-UHFFFAOYSA-N 1 3 295.471 2.242 10 0 CEAEHO Cc1ccc(OCC[NH+]2CCCC2)c(CNC(C)C)n1 ZINC000091995523 180302051 /nfs/dbraw/zinc/30/20/51/180302051.db2.gz WSKKAWWHYXBHHX-UHFFFAOYSA-N 1 3 277.412 2.363 10 0 CEAEHO Cc1ccc(OCC[NH+](C)C)c(CNC(C)(C)C)n1 ZINC000091995995 180302097 /nfs/dbraw/zinc/30/20/97/180302097.db2.gz CCPSHGHWXCYCKD-UHFFFAOYSA-N 1 3 265.401 2.219 10 0 CEAEHO C[NH2+]Cc1cnc(N2CC[C@H]3CC[C@@H](C2)N3C)c(Cl)c1 ZINC000092003341 180304561 /nfs/dbraw/zinc/30/45/61/180304561.db2.gz VXOLROQVHPPUPO-OLZOCXBDSA-N 1 3 294.830 2.127 10 0 CEAEHO CCCc1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)sc1CN ZINC000092004863 180305445 /nfs/dbraw/zinc/30/54/45/180305445.db2.gz SOCFOXCIDDIYFE-NEPJUHHUSA-N 1 3 294.468 2.227 10 0 CEAEHO CCCc1nc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)sc1CN ZINC000092004863 180305447 /nfs/dbraw/zinc/30/54/47/180305447.db2.gz SOCFOXCIDDIYFE-NEPJUHHUSA-N 1 3 294.468 2.227 10 0 CEAEHO CNCc1ccccc1OCC[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092089361 180321661 /nfs/dbraw/zinc/32/16/61/180321661.db2.gz SECMBDCQJZAUDM-OKILXGFUSA-N 1 3 262.397 2.373 10 0 CEAEHO CNCc1ccccc1OCC[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092089361 180321663 /nfs/dbraw/zinc/32/16/63/180321663.db2.gz SECMBDCQJZAUDM-OKILXGFUSA-N 1 3 262.397 2.373 10 0 CEAEHO C[N@@H+]1CC[C@@H](CNCCSc2ccccc2)C1 ZINC000092242696 180351351 /nfs/dbraw/zinc/35/13/51/180351351.db2.gz XWBWPNPBBPBKGB-ZDUSSCGKSA-N 1 3 250.411 2.320 10 0 CEAEHO C[N@H+]1CC[C@@H](CNCCSc2ccccc2)C1 ZINC000092242696 180351354 /nfs/dbraw/zinc/35/13/54/180351354.db2.gz XWBWPNPBBPBKGB-ZDUSSCGKSA-N 1 3 250.411 2.320 10 0 CEAEHO c1ccc2c(c1)OC[C@H]2CNCCC[NH+]1CCCC1 ZINC000092300900 180358828 /nfs/dbraw/zinc/35/88/28/180358828.db2.gz BJFWRUYLJXUGTE-CQSZACIVSA-N 1 3 260.381 2.238 10 0 CEAEHO c1ccc2c(c1)OC[C@H]2C[NH2+]CCCN1CCCC1 ZINC000092300900 180358830 /nfs/dbraw/zinc/35/88/30/180358830.db2.gz BJFWRUYLJXUGTE-CQSZACIVSA-N 1 3 260.381 2.238 10 0 CEAEHO CC(C)[C@H](CN(C)C)NC1=[NH+][C@@H](C(C)C)CS1 ZINC000092402344 180377168 /nfs/dbraw/zinc/37/71/68/180377168.db2.gz ZNGWTUOFWMAEFZ-NWDGAFQWSA-N 1 3 257.447 2.290 10 0 CEAEHO CNCc1cc(N2CC[C@@H]([NH+](C)C)C2)c2ccccc2n1 ZINC000109589606 186264735 /nfs/dbraw/zinc/26/47/35/186264735.db2.gz JTLYJCVHHHYCDQ-CQSZACIVSA-N 1 3 284.407 2.095 10 0 CEAEHO CN(C[C@H]1CC[N@H+](C)C1)c1cc(CN)nc2ccccc21 ZINC000109589622 186265326 /nfs/dbraw/zinc/26/53/26/186265326.db2.gz VZSSUSXHWRWJPN-ZDUSSCGKSA-N 1 3 284.407 2.081 10 0 CEAEHO CN(C[C@H]1CC[N@@H+](C)C1)c1cc(CN)nc2ccccc21 ZINC000109589622 186265328 /nfs/dbraw/zinc/26/53/28/186265328.db2.gz VZSSUSXHWRWJPN-ZDUSSCGKSA-N 1 3 284.407 2.081 10 0 CEAEHO CC(C)C[C@H](CN(C)C)NC(=O)CC1CCC(C[NH3+])CC1 ZINC000110618003 186305536 /nfs/dbraw/zinc/30/55/36/186305536.db2.gz UMFMJBUJPFIATR-UYSNPLJNSA-N 1 3 297.487 2.234 10 0 CEAEHO CCOc1cccc([C@@H](C[NH3+])N2CCN(C)C(C)(C)C2)c1 ZINC000110711623 186315586 /nfs/dbraw/zinc/31/55/86/186315586.db2.gz VNRXJGJVIBSQHT-MRXNPFEDSA-N 1 3 291.439 2.111 10 0 CEAEHO Cc1ccccc1[C@H]([NH3+])CN1CCN(C)C(C)(C)C1 ZINC000110716376 186316671 /nfs/dbraw/zinc/31/66/71/186316671.db2.gz BOVAXKFFGRXFIL-OAHLLOKOSA-N 1 3 261.413 2.021 10 0 CEAEHO CC[C@@H]1CN(CC2(C[NH2+]C3CC3)CCCC2)CCN1C ZINC000110746385 186319391 /nfs/dbraw/zinc/31/93/91/186319391.db2.gz ZKHZMXXTDCTQHA-MRXNPFEDSA-N 1 3 279.472 2.325 10 0 CEAEHO C[C@@H]1CN(Cc2cccc(C[NH2+]C3CC3)c2)CCN1C ZINC000110751485 186320228 /nfs/dbraw/zinc/32/02/28/186320228.db2.gz GMHWLJNPINIZFN-CQSZACIVSA-N 1 3 273.424 2.075 10 0 CEAEHO NC[C@H](c1cccc(F)c1F)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000111040032 186346811 /nfs/dbraw/zinc/34/68/11/186346811.db2.gz FARAHPDFUFMUEO-IUODEOHRSA-N 1 3 295.377 2.135 10 0 CEAEHO NC[C@H](c1cccc(F)c1F)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000111040032 186346812 /nfs/dbraw/zinc/34/68/12/186346812.db2.gz FARAHPDFUFMUEO-IUODEOHRSA-N 1 3 295.377 2.135 10 0 CEAEHO Cc1cc(CN(C)CCC[NH+](C)C)oc1CNC(C)C ZINC000111150064 186360390 /nfs/dbraw/zinc/36/03/90/186360390.db2.gz QGTMUUYGACYVQI-UHFFFAOYSA-N 1 3 281.444 2.470 10 0 CEAEHO CCOCC[N@H+](CC)[C@](C)(CN)Cc1ccccc1OC ZINC000111117833 186355211 /nfs/dbraw/zinc/35/52/11/186355211.db2.gz CTXFNGDINDBFHT-KRWDZBQOSA-N 1 3 294.439 2.314 10 0 CEAEHO CCOCC[N@@H+](CC)[C@](C)(CN)Cc1ccccc1OC ZINC000111117833 186355212 /nfs/dbraw/zinc/35/52/12/186355212.db2.gz CTXFNGDINDBFHT-KRWDZBQOSA-N 1 3 294.439 2.314 10 0 CEAEHO CC[C@H]([NH3+])[C@@H](c1ccccc1C)N(C)CCN(C)C ZINC000111129651 186356087 /nfs/dbraw/zinc/35/60/87/186356087.db2.gz PPMHYAGZSNTEGG-JKSUJKDBSA-N 1 3 263.429 2.267 10 0 CEAEHO CC(C)C1CCC(C[NH3+])(N(C)CCN(C)C)CC1 ZINC000111132754 186356213 /nfs/dbraw/zinc/35/62/13/186356213.db2.gz TWBJFOABIXEXJG-UHFFFAOYSA-N 1 3 255.450 2.024 10 0 CEAEHO CN(C)CCN(C)[C@@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000111132974 186356402 /nfs/dbraw/zinc/35/64/02/186356402.db2.gz VUMUMAHAPOWDOC-ZDUSSCGKSA-N 1 3 289.345 2.199 10 0 CEAEHO CC[NH2+]CC1(CN(C)CCN(C)C)CCCCC1 ZINC000111147201 186358335 /nfs/dbraw/zinc/35/83/35/186358335.db2.gz DWBPOBCIKDENGI-UHFFFAOYSA-N 1 3 255.450 2.040 10 0 CEAEHO C[NH2+][C@H](CCN(C)CCN(C)C)c1ccc(C)cc1 ZINC000111147045 186359047 /nfs/dbraw/zinc/35/90/47/186359047.db2.gz PYTJAHRMKRBEDC-MRXNPFEDSA-N 1 3 263.429 2.139 10 0 CEAEHO CCC(CC)(C[NH2+]C(C)C)CN(C)CCN(C)C ZINC000111147101 186359099 /nfs/dbraw/zinc/35/90/99/186359099.db2.gz FHXKPBJMXRULGP-UHFFFAOYSA-N 1 3 257.466 2.284 10 0 CEAEHO CC[C@@](C)(C[NH2+]C(C)(C)C)CN(C)CCN(C)C ZINC000111146955 186359304 /nfs/dbraw/zinc/35/93/04/186359304.db2.gz HFGJBIDTGQZXME-HNNXBMFYSA-N 1 3 257.466 2.284 10 0 CEAEHO CCC(CC)[N@H+](CCO)C[C@]1(CNC2CC2)CCCOC1 ZINC000111327814 186399557 /nfs/dbraw/zinc/39/95/57/186399557.db2.gz WBOWSOQCSGALFV-QGZVFWFLSA-N 1 3 298.471 2.018 10 0 CEAEHO CCC(CC)[N@@H+](CCO)C[C@]1(CNC2CC2)CCCOC1 ZINC000111327814 186399559 /nfs/dbraw/zinc/39/95/59/186399559.db2.gz WBOWSOQCSGALFV-QGZVFWFLSA-N 1 3 298.471 2.018 10 0 CEAEHO CCC(CC)N(CCO)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111327814 186399561 /nfs/dbraw/zinc/39/95/61/186399561.db2.gz WBOWSOQCSGALFV-QGZVFWFLSA-N 1 3 298.471 2.018 10 0 CEAEHO CC(C)[NH2+]Cc1ccc(CN(C)CCN(C)C)cc1 ZINC000111239056 186374369 /nfs/dbraw/zinc/37/43/69/186374369.db2.gz DHQNIBBJCKNYSQ-UHFFFAOYSA-N 1 3 263.429 2.178 10 0 CEAEHO C(C[C@@H]1CCCO1)N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093452707 539848876 /nfs/dbraw/zinc/84/88/76/539848876.db2.gz JXLGATKKFURHDF-XQLPTFJDSA-N 1 3 252.402 2.066 10 0 CEAEHO CC(C)[NH+](C[C@@H](O)c1ccc2c(c1)CNCC2)C(C)C ZINC000675059147 540079515 /nfs/dbraw/zinc/07/95/15/540079515.db2.gz LMTCGLFKXIMJKL-QGZVFWFLSA-N 1 3 276.424 2.485 10 0 CEAEHO C[C@H]1CN(Cc2cccc3c2CC[NH2+]C3)CCS1 ZINC000137210333 540531963 /nfs/dbraw/zinc/53/19/63/540531963.db2.gz FUOPYBQZUTVHCP-LBPRGKRZSA-N 1 3 262.422 2.270 10 0 CEAEHO CCN(CC)[C@H](CN[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000094074108 364251245 /nfs/dbraw/zinc/25/12/45/364251245.db2.gz WNUPTKPQWWHFRK-HZPDHXFCSA-N 1 3 261.413 2.021 10 0 CEAEHO CCC[C@@H](C(=O)NCc1ccccc1C[NH+](C)C)N(C)C ZINC000162129304 367138608 /nfs/dbraw/zinc/13/86/08/367138608.db2.gz QNBVXYBKEFJHPK-INIZCTEOSA-N 1 3 291.439 2.095 10 0 CEAEHO C[C@H]1C[N@H+](CCCOCc2ccccc2)C[C@@H]1CN ZINC000631838850 367579486 /nfs/dbraw/zinc/57/94/86/367579486.db2.gz WDJCWRDVLLRQJD-HOCLYGCPSA-N 1 3 262.397 2.120 10 0 CEAEHO C[C@H]1C[N@@H+](CCCOCc2ccccc2)C[C@@H]1CN ZINC000631838850 367579489 /nfs/dbraw/zinc/57/94/89/367579489.db2.gz WDJCWRDVLLRQJD-HOCLYGCPSA-N 1 3 262.397 2.120 10 0 CEAEHO C[C@H](O)CN1CCN(c2ccnc3ccccc32)C[C@H]1C ZINC000246248996 370936265 /nfs/dbraw/zinc/93/62/65/370936265.db2.gz SJHZBMAITTVDSP-KGLIPLIRSA-N 1 3 285.391 2.126 10 0 CEAEHO C[C@H](O)C[N@@H+]1CCN(c2ccnc3ccccc32)C[C@H]1C ZINC000246248996 370936269 /nfs/dbraw/zinc/93/62/69/370936269.db2.gz SJHZBMAITTVDSP-KGLIPLIRSA-N 1 3 285.391 2.126 10 0 CEAEHO C[C@H](O)C[N@H+]1CCN(c2ccnc3ccccc32)C[C@H]1C ZINC000246248996 370936270 /nfs/dbraw/zinc/93/62/70/370936270.db2.gz SJHZBMAITTVDSP-KGLIPLIRSA-N 1 3 285.391 2.126 10 0 CEAEHO COc1ccc([C@@H](C)CN2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261783734 371730468 /nfs/dbraw/zinc/73/04/68/371730468.db2.gz UGMMBQSLIHJZNY-BBRMVZONSA-N 1 3 262.397 2.469 10 0 CEAEHO CCC1(N(C)C)CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000640015812 371736550 /nfs/dbraw/zinc/73/65/50/371736550.db2.gz OKWQLEGVYHQVOW-GJZGRUSLSA-N 1 3 268.445 2.344 10 0 CEAEHO Cc1cccc(C)c1OCCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262083951 371821927 /nfs/dbraw/zinc/82/19/27/371821927.db2.gz FRWBSQMJWAAHFE-ARFHVFGLSA-N 1 3 274.408 2.351 10 0 CEAEHO C[C@@H]1CN(C[C@@H]2CCC3(CCCC3)O2)C[C@@H]1C[NH3+] ZINC000641818046 372765612 /nfs/dbraw/zinc/76/56/12/372765612.db2.gz CEWVLRWYLLQUJM-RDBSUJKOSA-N 1 3 252.402 2.005 10 0 CEAEHO CCC1(C[NH2+][C@@H](C)[C@@H]2CCCNC2)CCOCC1 ZINC000573436944 299441028 /nfs/dbraw/zinc/44/10/28/299441028.db2.gz PYRWIWVIGONCSP-UONOGXRCSA-N 1 3 254.418 2.171 10 0 CEAEHO Cc1ccsc1[C@H](C[NH3+])N1CCN2CCCC[C@@H]2C1 ZINC000094438464 184799461 /nfs/dbraw/zinc/79/94/61/184799461.db2.gz SEPUROSGNBAMAY-KGLIPLIRSA-N 1 3 279.453 2.226 10 0 CEAEHO C[C@@H](N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400511185 533547899 /nfs/dbraw/zinc/54/78/99/533547899.db2.gz FNOAMRUZERRZRU-AHCXZYCDSA-N 1 3 287.451 2.095 10 0 CEAEHO C[C@@H](Nc1cccc(OCCN(C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000400718510 533560416 /nfs/dbraw/zinc/56/04/16/533560416.db2.gz NWABMOPULYJADO-ZIAGYGMSSA-N 1 3 277.412 2.037 10 0 CEAEHO NC(=[NH2+])c1c(Cl)cccc1N1CCN2CCCC[C@@H]2C1 ZINC000094439596 135087794 /nfs/dbraw/zinc/08/77/94/135087794.db2.gz WJNRGHHVXUGUBZ-LLVKDONJSA-N 1 3 292.814 2.299 10 0 CEAEHO c1cc(N2CCN3CCCC[C@@H]3C2)ncc1C[NH2+]C1CC1 ZINC000094443213 135089046 /nfs/dbraw/zinc/08/90/46/135089046.db2.gz JKZIXRGUFQKGAD-MRXNPFEDSA-N 1 3 286.423 2.008 10 0 CEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1N[C@@H]1CCC[NH2+][C@H]1C ZINC000396621714 395218005 /nfs/dbraw/zinc/21/80/05/395218005.db2.gz VCXRSPMVTRCEPQ-ATLSCFEFSA-N 1 3 287.451 2.237 10 0 CEAEHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC000263234353 154042808 /nfs/dbraw/zinc/04/28/08/154042808.db2.gz NUQSZGDMVBWXHY-BSDSXHPESA-N 1 3 288.435 2.273 10 0 CEAEHO CCN1CCC[C@@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000177030666 165187331 /nfs/dbraw/zinc/18/73/31/165187331.db2.gz ZGLJTJDJHHOINB-MRXNPFEDSA-N 1 3 295.471 2.050 10 0 CEAEHO CC1CC[NH+](CCC(=O)Nc2cccc(CN)c2)CC1 ZINC000022156137 171362703 /nfs/dbraw/zinc/36/27/03/171362703.db2.gz GFXYDSJRWTVAET-UHFFFAOYSA-N 1 3 275.396 2.206 10 0 CEAEHO C[C@H]1CCCC[N@@H+]1CCCNC[C@@H]1CCCCO1 ZINC000035151384 172014116 /nfs/dbraw/zinc/01/41/16/172014116.db2.gz CJOWRLLFGCOLSW-GJZGRUSLSA-N 1 3 254.418 2.410 10 0 CEAEHO C[C@H]1CCCC[N@H+]1CCCNC[C@@H]1CCCCO1 ZINC000035151384 172014120 /nfs/dbraw/zinc/01/41/20/172014120.db2.gz CJOWRLLFGCOLSW-GJZGRUSLSA-N 1 3 254.418 2.410 10 0 CEAEHO C[C@H]1CCCCN1CCC[NH2+]C[C@@H]1CCCCO1 ZINC000035151384 172014125 /nfs/dbraw/zinc/01/41/25/172014125.db2.gz CJOWRLLFGCOLSW-GJZGRUSLSA-N 1 3 254.418 2.410 10 0 CEAEHO C[C@H]1CC[N@H+](CCCC(=O)Nc2ccccc2CN)C1 ZINC000040717011 174384277 /nfs/dbraw/zinc/38/42/77/174384277.db2.gz YSGSXQMYODZMRA-ZDUSSCGKSA-N 1 3 275.396 2.206 10 0 CEAEHO C[C@H]1CC[N@@H+](CCCC(=O)Nc2ccccc2CN)C1 ZINC000040717011 174384279 /nfs/dbraw/zinc/38/42/79/174384279.db2.gz YSGSXQMYODZMRA-ZDUSSCGKSA-N 1 3 275.396 2.206 10 0 CEAEHO C[C@H]([NH2+]CCN1CCCCCC1)[C@H]1CCCN(C)C1 ZINC000040767730 174398159 /nfs/dbraw/zinc/39/81/59/174398159.db2.gz NRKUNMSHTOQDIK-HOTGVXAUSA-N 1 3 267.461 2.182 10 0 CEAEHO C[NH2+][C@@H]1c2ccccc2CCC[C@H]1N1CCCN(C)CC1 ZINC000043818020 175113004 /nfs/dbraw/zinc/11/30/04/175113004.db2.gz MOJPIQRJRKXYRU-QZTJIDSGSA-N 1 3 287.451 2.290 10 0 CEAEHO CCC[NH2+][C@@H]1CCCCC[C@H]1N1CCCN(C)CC1 ZINC000043818530 175113912 /nfs/dbraw/zinc/11/39/12/175113912.db2.gz DLAXFWGAKYGDHE-HZPDHXFCSA-N 1 3 267.461 2.325 10 0 CEAEHO C[N@@H+]1CC[C@@H](CN[C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747329 175242991 /nfs/dbraw/zinc/24/29/91/175242991.db2.gz WIXDUPCQTNTCEU-BLLLJJGKSA-N 1 3 260.381 2.311 10 0 CEAEHO C[N@H+]1CC[C@@H](CN[C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747329 175242992 /nfs/dbraw/zinc/24/29/92/175242992.db2.gz WIXDUPCQTNTCEU-BLLLJJGKSA-N 1 3 260.381 2.311 10 0 CEAEHO CCCNC(=O)CCN[C@@H](C)[C@H]1CCC[N@H+](CCC)C1 ZINC000045072522 175302026 /nfs/dbraw/zinc/30/20/26/175302026.db2.gz VEVCXTLGVNRXGK-GJZGRUSLSA-N 1 3 283.460 2.003 10 0 CEAEHO CCCNC(=O)CCN[C@@H](C)[C@H]1CCC[N@@H+](CCC)C1 ZINC000045072522 175302027 /nfs/dbraw/zinc/30/20/27/175302027.db2.gz VEVCXTLGVNRXGK-GJZGRUSLSA-N 1 3 283.460 2.003 10 0 CEAEHO CCCNC(=O)CC[NH2+][C@@H](C)[C@H]1CCCN(CCC)C1 ZINC000045072522 175302029 /nfs/dbraw/zinc/30/20/29/175302029.db2.gz VEVCXTLGVNRXGK-GJZGRUSLSA-N 1 3 283.460 2.003 10 0 CEAEHO CCN[C@@](C)(CCCC[N@@H+]1CCC[C@@H](CC)C1)C(N)=O ZINC000045393391 175376245 /nfs/dbraw/zinc/37/62/45/175376245.db2.gz NJCVEUHATYQSIC-ZBFHGGJFSA-N 1 3 283.460 2.132 10 0 CEAEHO CCN[C@@](C)(CCCC[N@H+]1CCC[C@@H](CC)C1)C(N)=O ZINC000045393391 175376246 /nfs/dbraw/zinc/37/62/46/175376246.db2.gz NJCVEUHATYQSIC-ZBFHGGJFSA-N 1 3 283.460 2.132 10 0 CEAEHO CN(C[C@@H](C[NH3+])c1ccccc1)C[C@@H]1CCCOC1 ZINC000070943336 176015575 /nfs/dbraw/zinc/01/55/75/176015575.db2.gz CRTSYMZRUPWCNP-GOEBONIOSA-N 1 3 262.397 2.087 10 0 CEAEHO CC[C@@H]1CCCC[C@@]1(C[NH3+])N(CCOC)C1CC1 ZINC000071161892 176046272 /nfs/dbraw/zinc/04/62/72/176046272.db2.gz WCSGAWSWYLCRJB-HIFRSBDPSA-N 1 3 254.418 2.395 10 0 CEAEHO CN[C@H](CC[N@H+](C)C[C@@H]1CCN(C)C1)c1ccc(F)cc1 ZINC000071191267 176070566 /nfs/dbraw/zinc/07/05/66/176070566.db2.gz INOHCUKSGJPTSG-RHSMWYFYSA-N 1 3 293.430 2.360 10 0 CEAEHO CN[C@H](CC[N@@H+](C)C[C@@H]1CCN(C)C1)c1ccc(F)cc1 ZINC000071191267 176070568 /nfs/dbraw/zinc/07/05/68/176070568.db2.gz INOHCUKSGJPTSG-RHSMWYFYSA-N 1 3 293.430 2.360 10 0 CEAEHO CC(C)NCc1occc1CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071191897 176071377 /nfs/dbraw/zinc/07/13/77/176071377.db2.gz WDXJGNUDPDSKMF-AWEZNQCLSA-N 1 3 279.428 2.161 10 0 CEAEHO CC(C)NCc1occc1CN(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071191897 176071379 /nfs/dbraw/zinc/07/13/79/176071379.db2.gz WDXJGNUDPDSKMF-AWEZNQCLSA-N 1 3 279.428 2.161 10 0 CEAEHO CC(C)[NH2+][C@H]1CCCN([C@@H](CN(C)C)C(C)C)C1 ZINC000071200835 176077479 /nfs/dbraw/zinc/07/74/79/176077479.db2.gz QZECERYTJKBIKO-GJZGRUSLSA-N 1 3 255.450 2.035 10 0 CEAEHO CC[C@@H]1C[N@H+](CCn2ccnc2C)C2(CCCC2)CN1 ZINC000071345276 176131488 /nfs/dbraw/zinc/13/14/88/176131488.db2.gz LAAVMDAWXGFTQD-OAHLLOKOSA-N 1 3 276.428 2.188 10 0 CEAEHO CC[C@@H]1C[N@@H+](CCn2ccnc2C)C2(CCCC2)CN1 ZINC000071345276 176131489 /nfs/dbraw/zinc/13/14/89/176131489.db2.gz LAAVMDAWXGFTQD-OAHLLOKOSA-N 1 3 276.428 2.188 10 0 CEAEHO Cc1nccn1CC[N@@H+]1CC2(CCCC2)NCC1(C)C ZINC000071358954 176137740 /nfs/dbraw/zinc/13/77/40/176137740.db2.gz KOCSFQQPWBHYEO-UHFFFAOYSA-N 1 3 276.428 2.188 10 0 CEAEHO Cc1nccn1CC[N@H+]1CC2(CCCC2)NCC1(C)C ZINC000071358954 176137742 /nfs/dbraw/zinc/13/77/42/176137742.db2.gz KOCSFQQPWBHYEO-UHFFFAOYSA-N 1 3 276.428 2.188 10 0 CEAEHO COc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[C@@H]1CN ZINC000089150046 274157669 /nfs/dbraw/zinc/15/76/69/274157669.db2.gz KHASVMKFFSMLRL-CFVMTHIKSA-N 1 3 262.397 2.343 10 0 CEAEHO CC[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105862877 276068881 /nfs/dbraw/zinc/06/88/81/276068881.db2.gz YUQDCRSMFWBYQA-KRWDZBQOSA-N 1 3 276.424 2.384 10 0 CEAEHO CC[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105862877 276068882 /nfs/dbraw/zinc/06/88/82/276068882.db2.gz YUQDCRSMFWBYQA-KRWDZBQOSA-N 1 3 276.424 2.384 10 0 CEAEHO C[C@@H]1C[C@H]([NH2+]CCOCCN(C)C)CC(C)(C)C1 ZINC000226744926 278025884 /nfs/dbraw/zinc/02/58/84/278025884.db2.gz VAWCJRWVFROVEY-KGLIPLIRSA-N 1 3 256.434 2.369 10 0 CEAEHO CCC[C@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)N(C)C ZINC000153786129 289122584 /nfs/dbraw/zinc/12/25/84/289122584.db2.gz UWSGMZKJYBFXDW-MRXNPFEDSA-N 1 3 297.487 2.297 10 0 CEAEHO C[C@H](NC1CC(OCc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000573952774 314186969 /nfs/dbraw/zinc/18/69/69/314186969.db2.gz VTLOHGLIBJQOJZ-DFULUXCASA-N 1 3 274.408 2.322 10 0 CEAEHO C[C@H]([NH2+]CCCc1nccs1)[C@@H]1CCCNC1 ZINC000576146996 314246939 /nfs/dbraw/zinc/24/69/39/314246939.db2.gz VJVKJAGUJLSUOR-NWDGAFQWSA-N 1 3 253.415 2.053 10 0 CEAEHO C[C@H](NCCCc1nccs1)[C@@H]1CCC[NH2+]C1 ZINC000576146996 314246942 /nfs/dbraw/zinc/24/69/42/314246942.db2.gz VJVKJAGUJLSUOR-NWDGAFQWSA-N 1 3 253.415 2.053 10 0 CEAEHO CC(C)[NH2+]CC1(CN2C[C@H]3CC[C@@H]2C3)CCOCC1 ZINC000052183018 519720245 /nfs/dbraw/zinc/72/02/45/519720245.db2.gz UBUOHLHTDXIUCD-LSDHHAIUSA-N 1 3 266.429 2.266 10 0 CEAEHO CC(C)[NH2+]C[C@H]1CC[C@H](CN(C)C[C@@H]2CCCCO2)O1 ZINC000052507631 519725843 /nfs/dbraw/zinc/72/58/43/519725843.db2.gz TYVYZWKKNWFRKT-OWCLPIDISA-N 1 3 284.444 2.033 10 0 CEAEHO CCC[NH2+]CCC[C@@H](C)N1CCN(CC(C)C)CC1 ZINC000055082921 519912962 /nfs/dbraw/zinc/91/29/62/519912962.db2.gz YWZHNEPBTMGPOX-MRXNPFEDSA-N 1 3 269.477 2.428 10 0 CEAEHO CCC[NH2+]CC[C@@H](C)N1CCN(CC(C)C)CC1 ZINC000055083092 519918930 /nfs/dbraw/zinc/91/89/30/519918930.db2.gz MXPHKZVWDLRDSE-OAHLLOKOSA-N 1 3 255.450 2.038 10 0 CEAEHO CCO[C@H](C[NH3+])CCN(Cc1ccsc1)C1CC1 ZINC000062741038 520515718 /nfs/dbraw/zinc/51/57/18/520515718.db2.gz UKNXWVWMMCLSLT-AWEZNQCLSA-N 1 3 268.426 2.466 10 0 CEAEHO CCCN(CCN(C)C)[C@H](C[NH3+])CCc1ccccc1 ZINC000061625099 521657330 /nfs/dbraw/zinc/65/73/30/521657330.db2.gz LLIWENLMERYKGC-KRWDZBQOSA-N 1 3 277.456 2.220 10 0 CEAEHO CC(C)(C)N1CCN([C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069266163 518713190 /nfs/dbraw/zinc/71/31/90/518713190.db2.gz BYYLTNHTKYEXFH-INIZCTEOSA-N 1 3 273.424 2.247 10 0 CEAEHO CC(C)[NH2+]C[C@@H](C(C)C)N1CCC[C@@H]1CN(C)C ZINC000061654670 519722601 /nfs/dbraw/zinc/72/26/01/519722601.db2.gz PPQLXGFXVOMYKJ-CABCVRRESA-N 1 3 255.450 2.035 10 0 CEAEHO CC(C)CN1CCN([C@H](C)CCC[NH2+]C2CC2)CC1 ZINC000055082935 519727893 /nfs/dbraw/zinc/72/78/93/519727893.db2.gz AZESVXRSGSNNQT-OAHLLOKOSA-N 1 3 267.461 2.181 10 0 CEAEHO CC(C)NCc1cccnc1N1CCC[C@H]1C[NH+](C)C ZINC000061654202 519728062 /nfs/dbraw/zinc/72/80/62/519728062.db2.gz HJQBPMVFKJWWMH-HNNXBMFYSA-N 1 3 276.428 2.110 10 0 CEAEHO CC(C)C[NH2+]C[C@@H](C)CN(CCN(C)C)CC(C)C ZINC000052503303 519744480 /nfs/dbraw/zinc/74/44/80/519744480.db2.gz JGBNNJZLZYIAJZ-MRXNPFEDSA-N 1 3 271.493 2.388 10 0 CEAEHO CC(C)C[NH2+]C[C@H](C(C)C)N1CCN(C(C)C)CC1 ZINC000052479963 519745601 /nfs/dbraw/zinc/74/56/01/519745601.db2.gz SWYTYAPSJUSEKC-MRXNPFEDSA-N 1 3 269.477 2.283 10 0 CEAEHO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C1CCN(C)CC1 ZINC000054601977 519907723 /nfs/dbraw/zinc/90/77/23/519907723.db2.gz PWNWEJYQXXDUNH-ZXFUBFMLSA-N 1 3 279.472 2.466 10 0 CEAEHO CC[NH2+]C[C@@H](C(C)C)N(CCN(C)C)CC(C)C ZINC000052503242 519929647 /nfs/dbraw/zinc/92/96/47/519929647.db2.gz KNGZUPWERIRZFW-HNNXBMFYSA-N 1 3 257.466 2.140 10 0 CEAEHO CCC[NH2+][C@@H](CC)CN1CCN([C@@H](C)CC)CC1 ZINC000055065059 519990314 /nfs/dbraw/zinc/99/03/14/519990314.db2.gz ATKIASZSESJOOI-GJZGRUSLSA-N 1 3 255.450 2.181 10 0 CEAEHO CCC[NH2+][C@@H](CC)[C@@H](C)N1CCC[C@@H]1CN(C)C ZINC000061643750 519992836 /nfs/dbraw/zinc/99/28/36/519992836.db2.gz GIMMUVWKKFRQKZ-KFWWJZLASA-N 1 3 255.450 2.179 10 0 CEAEHO CCNCc1cc(F)ccc1N1CCC[C@@H]1C[NH+](C)C ZINC000061646070 519993812 /nfs/dbraw/zinc/99/38/12/519993812.db2.gz AJXDYSUGKQIARO-OAHLLOKOSA-N 1 3 279.403 2.466 10 0 CEAEHO CC[NH2+]Cc1cccc(CN(CCOC)[C@H](C)COC)c1 ZINC000052572309 520004035 /nfs/dbraw/zinc/00/40/35/520004035.db2.gz IDSAREJBJLDUCG-OAHLLOKOSA-N 1 3 294.439 2.279 10 0 CEAEHO CC[NH2+]Cc1ccccc1CN1CCN(CC2CC2)CC1 ZINC000052372532 520009100 /nfs/dbraw/zinc/00/91/00/520009100.db2.gz PRULZRUHMWKKBF-UHFFFAOYSA-N 1 3 287.451 2.324 10 0 CEAEHO CCC[NH2+][C@H](CC)[C@@H](C)N1CCC[C@@H]1CN(C)C ZINC000061643751 520067346 /nfs/dbraw/zinc/06/73/46/520067346.db2.gz GIMMUVWKKFRQKZ-RBSFLKMASA-N 1 3 255.450 2.179 10 0 CEAEHO CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1CN(C)C ZINC000061270012 520070914 /nfs/dbraw/zinc/07/09/14/520070914.db2.gz OIZPYGVZMGRNAK-LBPRGKRZSA-N 1 3 263.385 2.075 10 0 CEAEHO CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1CN1CCC(CO)CC1 ZINC000053860090 520096141 /nfs/dbraw/zinc/09/61/41/520096141.db2.gz CADVLXJFEWLOJN-OIISXLGYSA-N 1 3 282.472 2.495 10 0 CEAEHO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CCN(CC(C)C)CC1 ZINC000055079306 520121736 /nfs/dbraw/zinc/12/17/36/520121736.db2.gz RJGARSXDVFQNEP-BBWFWOEESA-N 1 3 281.488 2.427 10 0 CEAEHO CCN(CC1CC1)C[C@@]1(C[NH2+]CC(C)C)CCOC1 ZINC000069262726 520956819 /nfs/dbraw/zinc/95/68/19/520956819.db2.gz QHGNGFUEPMVRIZ-INIZCTEOSA-N 1 3 268.445 2.371 10 0 CEAEHO CCCC[C@@](CC)(C[NH3+])N1CCN(C(C)C)CC1 ZINC000069379692 521120034 /nfs/dbraw/zinc/12/00/34/521120034.db2.gz NGNDKFABZCPPFV-HNNXBMFYSA-N 1 3 255.450 2.310 10 0 CEAEHO CCC(CC)[NH2+]CCN1CCN([C@@H](C)CC)CC1 ZINC000055075370 521596316 /nfs/dbraw/zinc/59/63/16/521596316.db2.gz GHRKGOSHSRQCOL-AWEZNQCLSA-N 1 3 255.450 2.181 10 0 CEAEHO CCC(CC)[C@@H](C[NH3+])N1CCN(CC(C)C)CC1 ZINC000055078260 521602586 /nfs/dbraw/zinc/60/25/86/521602586.db2.gz SJVYBVMHUVLZFK-OAHLLOKOSA-N 1 3 255.450 2.024 10 0 CEAEHO CCN1CCN(C[C@H]2C[C@@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054559456 521686967 /nfs/dbraw/zinc/68/69/67/521686967.db2.gz ZDLHGGDFHWONHB-XHSDSOJGSA-N 1 3 267.461 2.024 10 0 CEAEHO CN(C)C[C@@H]1CCC[N@@H+]1[C@@H]1CCCc2ccccc2[C@@H]1N ZINC000061643520 521842847 /nfs/dbraw/zinc/84/28/47/521842847.db2.gz BFHFNHHEOKSZAU-JQHSSLGASA-N 1 3 287.451 2.417 10 0 CEAEHO CN(C)C[C@@H]1CCC[N@H+]1[C@@H]1CCCc2ccccc2[C@@H]1N ZINC000061643520 521842852 /nfs/dbraw/zinc/84/28/52/521842852.db2.gz BFHFNHHEOKSZAU-JQHSSLGASA-N 1 3 287.451 2.417 10 0 CEAEHO C[NH2+]CCC[C@@H](C)N1CCN(Cc2ccccc2)CC1 ZINC000052417126 521997698 /nfs/dbraw/zinc/99/76/98/521997698.db2.gz JJEGXYBWPFHKJC-MRXNPFEDSA-N 1 3 275.440 2.192 10 0 CEAEHO C[NH2+]Cc1ccc(CN2CCN(C3CCCC3)CC2)cc1 ZINC000052573541 522117072 /nfs/dbraw/zinc/11/70/72/522117072.db2.gz DGWPPVCYUSIZIL-UHFFFAOYSA-N 1 3 287.451 2.466 10 0 CEAEHO CC[C@@H](C)N1CCN(Cc2cc(C[NH3+])ccc2OC)CC1 ZINC000055065025 522125954 /nfs/dbraw/zinc/12/59/54/522125954.db2.gz MDLGFNSXPKAFMT-CQSZACIVSA-N 1 3 291.439 2.070 10 0 CEAEHO C[NH2+][C@H]1CCCCCC[C@H]1N1CCC[C@@H]1CN(C)C ZINC000061643427 522489973 /nfs/dbraw/zinc/48/99/73/522489973.db2.gz RGUMEGHYCAHOFJ-OWCLPIDISA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@@H]([NH3+])[C@H](c1ccccn1)N1CCN(CC(C)C)CC1 ZINC000055077438 522652897 /nfs/dbraw/zinc/65/28/97/522652897.db2.gz QHXKQKQJYJWYOD-NVXWUHKLSA-N 1 3 290.455 2.134 10 0 CEAEHO CC[C@H]1CO[C@@H](C)CN1[C@@H](C)CCC[NH2+]C1CC1 ZINC000052571126 523347905 /nfs/dbraw/zinc/34/79/05/523347905.db2.gz QGXUDVXEZJGVOT-YDHLFZDLSA-N 1 3 254.418 2.406 10 0 CEAEHO CC[C@@H]1CO[C@H](C)CN1CCC[C@@H]1CCCC[NH2+]1 ZINC000050953201 523515696 /nfs/dbraw/zinc/51/56/96/523515696.db2.gz NBHXCDPBQPSZEG-QLFBSQMISA-N 1 3 254.418 2.408 10 0 CEAEHO CN(c1ccc(Cl)cc1CN)C1CC[NH+](C)CC1 ZINC000052856560 523637332 /nfs/dbraw/zinc/63/73/32/523637332.db2.gz SHVOBSPCVBVMCH-UHFFFAOYSA-N 1 3 267.804 2.329 10 0 CEAEHO CN(c1nc(C2CC2)c(C[NH3+])s1)[C@@H]1CCCN(C)C1 ZINC000069180128 523663310 /nfs/dbraw/zinc/66/33/10/523663310.db2.gz BRAUHGMLZYAWPZ-LLVKDONJSA-N 1 3 280.441 2.010 10 0 CEAEHO CC[C@H](C)N1CCN(CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000055072411 523954072 /nfs/dbraw/zinc/95/40/72/523954072.db2.gz IFLQDAKJZHDISP-RDJZCZTQSA-N 1 3 275.440 2.493 10 0 CEAEHO CC[C@H](C)N1CCN(CC[NH2+]Cc2ccccc2)CC1 ZINC000055075408 523954423 /nfs/dbraw/zinc/95/44/23/523954423.db2.gz GKPITRNJPZIQMX-INIZCTEOSA-N 1 3 275.440 2.192 10 0 CEAEHO CC[C@H](C)N1CCN(CC[NH2+][C@H](C)C(C)C)CC1 ZINC000055075023 523954609 /nfs/dbraw/zinc/95/46/09/523954609.db2.gz DXLDMYGLRRGGSZ-LSDHHAIUSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000055063926 523959157 /nfs/dbraw/zinc/95/91/57/523959157.db2.gz AAMOBEWGGMIZCM-WMLDXEAASA-N 1 3 291.439 2.111 10 0 CEAEHO CC[C@H](C)N1CCN(c2ccccc2C[NH2+]C)CC1 ZINC000055068682 523960959 /nfs/dbraw/zinc/96/09/59/523960959.db2.gz WFGSHARMHBJOPR-AWEZNQCLSA-N 1 3 261.413 2.327 10 0 CEAEHO C[NH+](C)C1CCN(c2nc(C3CC3)c(CN)s2)CC1 ZINC000069147062 524040688 /nfs/dbraw/zinc/04/06/88/524040688.db2.gz NMXSIEABBOLBBQ-UHFFFAOYSA-N 1 3 280.441 2.010 10 0 CEAEHO C[C@H]1CCC[C@@H]([NH2+]CCN(C)[C@@H]2CCCN(C)C2)C1 ZINC000053388537 524152723 /nfs/dbraw/zinc/15/27/23/524152723.db2.gz WTXGFVGIRQDTPI-ARFHVFGLSA-N 1 3 267.461 2.181 10 0 CEAEHO c1cc(CNC2CC2)nc(N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000062971420 526426696 /nfs/dbraw/zinc/42/66/96/526426696.db2.gz MBPITIYKEZKADV-MRXNPFEDSA-N 1 3 286.423 2.008 10 0 CEAEHO c1ccc(CN2CC[C@@H](OC3CC[NH2+]CC3)C2)cc1 ZINC000061702231 526470605 /nfs/dbraw/zinc/47/06/05/526470605.db2.gz TYRMSBHQIZSLOU-MRXNPFEDSA-N 1 3 260.381 2.030 10 0 CEAEHO c1ccc(CN2CC[C@H](OC3CC[NH2+]CC3)C2)cc1 ZINC000061702230 526470645 /nfs/dbraw/zinc/47/06/45/526470645.db2.gz TYRMSBHQIZSLOU-INIZCTEOSA-N 1 3 260.381 2.030 10 0 CEAEHO Cc1ncc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)[nH]1 ZINC000054798479 526886666 /nfs/dbraw/zinc/88/66/66/526886666.db2.gz CFJXXFMJYPVDAN-UHFFFAOYSA-N 1 3 250.390 2.117 10 0 CEAEHO NCC[C@@H](c1ccccc1)[N@@H+]1CCCC[C@@H]1CCO ZINC000055015180 527190645 /nfs/dbraw/zinc/19/06/45/527190645.db2.gz VIXORDFLZPMNGK-CVEARBPZSA-N 1 3 262.397 2.313 10 0 CEAEHO NCC[C@@H](c1ccccc1)[N@H+]1CCCC[C@@H]1CCO ZINC000055015180 527190652 /nfs/dbraw/zinc/19/06/52/527190652.db2.gz VIXORDFLZPMNGK-CVEARBPZSA-N 1 3 262.397 2.313 10 0 CEAEHO [NH3+]CC[C@@H](c1ccccc1)N1CCCC[C@@H]1CCO ZINC000055015180 527190656 /nfs/dbraw/zinc/19/06/56/527190656.db2.gz VIXORDFLZPMNGK-CVEARBPZSA-N 1 3 262.397 2.313 10 0 CEAEHO [NH3+]C[C@@H](c1ccccc1F)N1CCN(C2CCCC2)CC1 ZINC000052060189 527207173 /nfs/dbraw/zinc/20/71/73/527207173.db2.gz OLBMHRLJPQFLAG-KRWDZBQOSA-N 1 3 291.414 2.386 10 0 CEAEHO [NH3+]C[C@H]1CC[C@@H](CN(Cc2cccs2)C2CC2)O1 ZINC000052370696 527239753 /nfs/dbraw/zinc/23/97/53/527239753.db2.gz JAANDXSDBRSKFO-OLZOCXBDSA-N 1 3 266.410 2.219 10 0 CEAEHO NCc1sc(N2CCC[N@@H+]3CCC[C@@H]3C2)nc1C1CC1 ZINC000069182486 527268593 /nfs/dbraw/zinc/26/85/93/527268593.db2.gz TXIDRFOXVDGKHH-GFCCVEGCSA-N 1 3 292.452 2.154 10 0 CEAEHO NCc1sc(N2CCC[N@H+]3CCC[C@@H]3C2)nc1C1CC1 ZINC000069182486 527268595 /nfs/dbraw/zinc/26/85/95/527268595.db2.gz TXIDRFOXVDGKHH-GFCCVEGCSA-N 1 3 292.452 2.154 10 0 CEAEHO Cc1ccc(OC[C@H](C)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000129170408 651857948 /nfs/dbraw/zinc/85/79/48/651857948.db2.gz AGOPKOXJQWRZMM-LSDHHAIUSA-N 1 3 262.397 2.494 10 0 CEAEHO CC[NH2+]Cc1sc(CCN(C)C)nc1C(C)C ZINC000082434481 178011775 /nfs/dbraw/zinc/01/17/75/178011775.db2.gz WVMPWNJKGIKTPL-UHFFFAOYSA-N 1 3 255.431 2.480 10 0 CEAEHO CC(C)N1CCN(Cc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000142161094 344402587 /nfs/dbraw/zinc/40/25/87/344402587.db2.gz NJNVQYPKLHCLMT-AWEZNQCLSA-N 1 3 261.413 2.232 10 0 CEAEHO CN(C)Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085364042 179035332 /nfs/dbraw/zinc/03/53/32/179035332.db2.gz XFTRLNGOADSYGF-LSDHHAIUSA-N 1 3 275.396 2.204 10 0 CEAEHO CCC[C@@H]1CN[C@H](CC)C[N@@H+]1CCn1ccnc1C ZINC000085472657 179076872 /nfs/dbraw/zinc/07/68/72/179076872.db2.gz ZZKZQVDRYQARBI-HUUCEWRRSA-N 1 3 264.417 2.044 10 0 CEAEHO CCC[C@@H]1CN[C@H](CC)C[N@H+]1CCn1ccnc1C ZINC000085472657 179076873 /nfs/dbraw/zinc/07/68/73/179076873.db2.gz ZZKZQVDRYQARBI-HUUCEWRRSA-N 1 3 264.417 2.044 10 0 CEAEHO C[C@@H]1CCN[C@@H](C2CC2)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085626608 179106696 /nfs/dbraw/zinc/10/66/96/179106696.db2.gz RBUAJFVMVWFMNX-VHDGCEQUSA-N 1 3 252.402 2.018 10 0 CEAEHO C[C@@H]1CCN[C@@H](C2CC2)C[N@H+]1C[C@@H]1CCCCO1 ZINC000085626608 179106698 /nfs/dbraw/zinc/10/66/98/179106698.db2.gz RBUAJFVMVWFMNX-VHDGCEQUSA-N 1 3 252.402 2.018 10 0 CEAEHO CC(C)[C@H]1CNC2(CCCC2)C[N@@H+]1CCCN(C)C ZINC000086217780 179249831 /nfs/dbraw/zinc/24/98/31/179249831.db2.gz SNYAYUGXHZPMBC-OAHLLOKOSA-N 1 3 267.461 2.181 10 0 CEAEHO CC(C)[C@H]1CNC2(CCCC2)C[N@H+]1CCCN(C)C ZINC000086217780 179249832 /nfs/dbraw/zinc/24/98/32/179249832.db2.gz SNYAYUGXHZPMBC-OAHLLOKOSA-N 1 3 267.461 2.181 10 0 CEAEHO C[C@H]1CN[C@@H](c2ccccc2)C[N@@H+]1C1CCN(C)CC1 ZINC000086217790 179249893 /nfs/dbraw/zinc/24/98/93/179249893.db2.gz UPWHDWVSAKXAKM-WMLDXEAASA-N 1 3 273.424 2.116 10 0 CEAEHO C[C@H]1CN[C@@H](c2ccccc2)C[N@H+]1C1CCN(C)CC1 ZINC000086217790 179249895 /nfs/dbraw/zinc/24/98/95/179249895.db2.gz UPWHDWVSAKXAKM-WMLDXEAASA-N 1 3 273.424 2.116 10 0 CEAEHO C[C@H]1CN[C@@](C)(c2ccccc2)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223147 179252059 /nfs/dbraw/zinc/25/20/59/179252059.db2.gz NBFPUDZFMMRNHI-LZLYRXPVSA-N 1 3 287.451 2.147 10 0 CEAEHO C[C@H]1CN[C@@](C)(c2ccccc2)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223147 179252062 /nfs/dbraw/zinc/25/20/62/179252062.db2.gz NBFPUDZFMMRNHI-LZLYRXPVSA-N 1 3 287.451 2.147 10 0 CEAEHO CC[C@H]1C[NH2+]C(CC)(CC)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259598 179258216 /nfs/dbraw/zinc/25/82/16/179258216.db2.gz SYCBRYJMPZYCSQ-GOEBONIOSA-N 1 3 279.472 2.466 10 0 CEAEHO CC[C@H]1CNC(CC)(CC)C[N@@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259598 179258217 /nfs/dbraw/zinc/25/82/17/179258217.db2.gz SYCBRYJMPZYCSQ-GOEBONIOSA-N 1 3 279.472 2.466 10 0 CEAEHO CC[C@H]1CNC(CC)(CC)C[N@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259598 179258218 /nfs/dbraw/zinc/25/82/18/179258218.db2.gz SYCBRYJMPZYCSQ-GOEBONIOSA-N 1 3 279.472 2.466 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@H+](CC[C@@H]2CCCO2)CCCN1 ZINC000086291375 179265410 /nfs/dbraw/zinc/26/54/10/179265410.db2.gz WWQGWETVOVRNCY-SOUVJXGZSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@@H+](CC[C@@H]2CCCO2)CCCN1 ZINC000086291375 179265411 /nfs/dbraw/zinc/26/54/11/179265411.db2.gz WWQGWETVOVRNCY-SOUVJXGZSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[C@H](C)[C@H]1CN(CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291375 179265414 /nfs/dbraw/zinc/26/54/14/179265414.db2.gz WWQGWETVOVRNCY-SOUVJXGZSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[C@@H]1CN[C@@H](CC(C)C)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259279 179258823 /nfs/dbraw/zinc/25/88/23/179258823.db2.gz GPWJOCOWKYWPGZ-IXDOHACOSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@@H]1CN[C@@H](CC(C)C)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259279 179258824 /nfs/dbraw/zinc/25/88/24/179258824.db2.gz GPWJOCOWKYWPGZ-IXDOHACOSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1CC1CCN(C)CC1 ZINC000086259006 179256665 /nfs/dbraw/zinc/25/66/65/179256665.db2.gz JDZGONGKYRXWRD-CVEARBPZSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@@H]1CN[C@H](C(C)(C)C)C[N@H+]1CC1CCN(C)CC1 ZINC000086259006 179256667 /nfs/dbraw/zinc/25/66/67/179256667.db2.gz JDZGONGKYRXWRD-CVEARBPZSA-N 1 3 281.488 2.427 10 0 CEAEHO CC(C)[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CC1CCN(C)CC1 ZINC000086258988 179256817 /nfs/dbraw/zinc/25/68/17/179256817.db2.gz KIDSLTRTDYUILB-ZWKOTPCHSA-N 1 3 293.499 2.427 10 0 CEAEHO CC(C)[C@@H]1CN[C@@](C)(C2CC2)C[N@H+]1CC1CCN(C)CC1 ZINC000086258988 179256818 /nfs/dbraw/zinc/25/68/18/179256818.db2.gz KIDSLTRTDYUILB-ZWKOTPCHSA-N 1 3 293.499 2.427 10 0 CEAEHO CN(C)CCc1nc2cc(C[NH3+])ccc2n1C(C)(C)C ZINC000086641966 179315086 /nfs/dbraw/zinc/31/50/86/179315086.db2.gz FCVPHBXUKAKMMT-UHFFFAOYSA-N 1 3 274.412 2.354 10 0 CEAEHO CCCN1CCC[C@@](CN)([N@@H+]2CCCC2(C)C)CC1 ZINC000086848650 179356276 /nfs/dbraw/zinc/35/62/76/179356276.db2.gz YFIKCUBYKSNYGS-MRXNPFEDSA-N 1 3 267.461 2.454 10 0 CEAEHO CCCN1CCC[C@@](CN)([N@H+]2CCCC2(C)C)CC1 ZINC000086848650 179356278 /nfs/dbraw/zinc/35/62/78/179356278.db2.gz YFIKCUBYKSNYGS-MRXNPFEDSA-N 1 3 267.461 2.454 10 0 CEAEHO CCCN1CCC[C@@H]([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000086840345 179350952 /nfs/dbraw/zinc/35/09/52/179350952.db2.gz FQRDGFUMUBDEGL-OAHLLOKOSA-N 1 3 279.472 2.467 10 0 CEAEHO CCC[N@H+](CC)[C@]1(CN)CCCN(C(C)C)CC1 ZINC000086846750 179355540 /nfs/dbraw/zinc/35/55/40/179355540.db2.gz WTGRZXSKZCKVBH-OAHLLOKOSA-N 1 3 255.450 2.310 10 0 CEAEHO CCC[N@@H+](CC)[C@]1(CN)CCCN(C(C)C)CC1 ZINC000086846750 179355541 /nfs/dbraw/zinc/35/55/41/179355541.db2.gz WTGRZXSKZCKVBH-OAHLLOKOSA-N 1 3 255.450 2.310 10 0 CEAEHO CCC[N@@H+]1CCC[C@@H](NCCN(C)C(C)C)CC1 ZINC000086844347 179355669 /nfs/dbraw/zinc/35/56/69/179355669.db2.gz OUZBNYRPQIUPCZ-OAHLLOKOSA-N 1 3 255.450 2.181 10 0 CEAEHO CCC[N@H+]1CCC[C@@H](NCCN(C)C(C)C)CC1 ZINC000086844347 179355670 /nfs/dbraw/zinc/35/56/70/179355670.db2.gz OUZBNYRPQIUPCZ-OAHLLOKOSA-N 1 3 255.450 2.181 10 0 CEAEHO CC(C)[C@@H]1CCC[C@](CO)(N2CCC[NH2+]CC2)CC1 ZINC000086952106 179368829 /nfs/dbraw/zinc/36/88/29/179368829.db2.gz QOQCCWMEXLJLRX-CVEARBPZSA-N 1 3 268.445 2.249 10 0 CEAEHO CCN1CCC[C@H]([C@@H](C)[NH2+]CC2(O)CCCC2)C1 ZINC000087016210 179380308 /nfs/dbraw/zinc/38/03/08/179380308.db2.gz XZOFHNFAQGABAJ-KGLIPLIRSA-N 1 3 254.418 2.002 10 0 CEAEHO CCN1CCC[C@@H]([NH2+]CC2(O)CCC(C)CC2)CC1 ZINC000087045876 179388196 /nfs/dbraw/zinc/38/81/96/179388196.db2.gz FQOUEUMMERQGBJ-HWOWSKLDSA-N 1 3 268.445 2.392 10 0 CEAEHO CN(C)CCOc1ccc(N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089149964 179725377 /nfs/dbraw/zinc/72/53/77/179725377.db2.gz MYKKMZWVPKAJKS-CZUORRHYSA-N 1 3 277.412 2.166 10 0 CEAEHO CC(C)[N@H+](Cc1cccs1)C[C@]1(C)COC[C@@H]1N ZINC000090606835 180011238 /nfs/dbraw/zinc/01/12/38/180011238.db2.gz UZHFLGMQUXRQMA-UONOGXRCSA-N 1 3 268.426 2.322 10 0 CEAEHO CC(C)[N@@H+](Cc1cccs1)C[C@]1(C)COC[C@@H]1N ZINC000090606835 180011240 /nfs/dbraw/zinc/01/12/40/180011240.db2.gz UZHFLGMQUXRQMA-UONOGXRCSA-N 1 3 268.426 2.322 10 0 CEAEHO CC(C)N(Cc1cccs1)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606835 180011241 /nfs/dbraw/zinc/01/12/41/180011241.db2.gz UZHFLGMQUXRQMA-UONOGXRCSA-N 1 3 268.426 2.322 10 0 CEAEHO C[N@H+](Cc1cccc(Cl)c1)C[C@]1(C)COC[C@@H]1N ZINC000090606664 180011369 /nfs/dbraw/zinc/01/13/69/180011369.db2.gz NLGRTNLPSWJSCF-UONOGXRCSA-N 1 3 268.788 2.136 10 0 CEAEHO C[N@@H+](Cc1cccc(Cl)c1)C[C@]1(C)COC[C@@H]1N ZINC000090606664 180011371 /nfs/dbraw/zinc/01/13/71/180011371.db2.gz NLGRTNLPSWJSCF-UONOGXRCSA-N 1 3 268.788 2.136 10 0 CEAEHO Cc1ccc2c(c1)C[C@H](C[NH2+]C[C@@H]1CCN(C3CC3)C1)O2 ZINC000090897474 180056671 /nfs/dbraw/zinc/05/66/71/180056671.db2.gz RKUPLMGRVSBCJK-WMLDXEAASA-N 1 3 286.419 2.372 10 0 CEAEHO Cc1ccc2c(c1)C[C@H](CNC[C@@H]1CC[N@@H+](C3CC3)C1)O2 ZINC000090897474 180056673 /nfs/dbraw/zinc/05/66/73/180056673.db2.gz RKUPLMGRVSBCJK-WMLDXEAASA-N 1 3 286.419 2.372 10 0 CEAEHO Cc1ccc2c(c1)C[C@H](CNC[C@@H]1CC[N@H+](C3CC3)C1)O2 ZINC000090897474 180056676 /nfs/dbraw/zinc/05/66/76/180056676.db2.gz RKUPLMGRVSBCJK-WMLDXEAASA-N 1 3 286.419 2.372 10 0 CEAEHO CCC[C@H](CC[NH3+])CCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000090908690 180062473 /nfs/dbraw/zinc/06/24/73/180062473.db2.gz LXSHMIPONXBFFD-SOUVJXGZSA-N 1 3 254.418 2.395 10 0 CEAEHO CC(C)N1CCN(C[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000091362322 180141833 /nfs/dbraw/zinc/14/18/33/180141833.db2.gz TVXYBHJJPGJWCY-IKGGRYGDSA-N 1 3 279.472 2.323 10 0 CEAEHO CC(C)CNCc1csc(N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000091449933 180158165 /nfs/dbraw/zinc/15/81/65/180158165.db2.gz WHMYGTRKCHLFEG-CQSZACIVSA-N 1 3 296.484 2.419 10 0 CEAEHO Cc1ccccc1[C@@H]([NH3+])CCN(C)CC1CC(O)C1 ZINC000091490364 180169899 /nfs/dbraw/zinc/16/98/99/180169899.db2.gz VINXPRJTXZIVJQ-XUJLQICISA-N 1 3 262.397 2.088 10 0 CEAEHO C[C@@H]1CCC[C@](CN)([N@@H+]2CCC[C@H](N(C)C)C2)[C@@H]1C ZINC000091392813 180145353 /nfs/dbraw/zinc/14/53/53/180145353.db2.gz ZZLRZAOJWNYGGH-LVQVYYBASA-N 1 3 267.461 2.166 10 0 CEAEHO C[C@@H]1CCC[C@](CN)([N@H+]2CCC[C@H](N(C)C)C2)[C@@H]1C ZINC000091392813 180145357 /nfs/dbraw/zinc/14/53/57/180145357.db2.gz ZZLRZAOJWNYGGH-LVQVYYBASA-N 1 3 267.461 2.166 10 0 CEAEHO C[NH+](C)[C@@H]1CCCN([C@@H](CN)c2cc3ccccc3o2)C1 ZINC000091395477 180146086 /nfs/dbraw/zinc/14/60/86/180146086.db2.gz QQPYPMOIDJMDEC-CABCVRRESA-N 1 3 287.407 2.459 10 0 CEAEHO CN(C)[C@H]1CCC[N@@H+](C2(CN)CCCCCCC2)C1 ZINC000091395215 180146606 /nfs/dbraw/zinc/14/66/06/180146606.db2.gz DNTZDKUSKYMXOU-HNNXBMFYSA-N 1 3 267.461 2.454 10 0 CEAEHO CN(C)[C@H]1CCC[N@H+](C2(CN)CCCCCCC2)C1 ZINC000091395215 180146609 /nfs/dbraw/zinc/14/66/09/180146609.db2.gz DNTZDKUSKYMXOU-HNNXBMFYSA-N 1 3 267.461 2.454 10 0 CEAEHO C[NH2+][C@H](C)C(C)(C)CN1CCN(C(C)(C)C)CC1 ZINC000091404190 180147177 /nfs/dbraw/zinc/14/71/77/180147177.db2.gz DBFBGEUXOKXKQE-CYBMUJFWSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[C@@](C)([C@@H](Cc1cnccc1N)[NH2+]C)N1CCCC1 ZINC000091606164 180204192 /nfs/dbraw/zinc/20/41/92/180204192.db2.gz QTJUORBCXIPAEL-CVEARBPZSA-N 1 3 276.428 2.059 10 0 CEAEHO [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccccc2CN2CCCC2)C1 ZINC000091548153 180187736 /nfs/dbraw/zinc/18/77/36/180187736.db2.gz PPDDNKFXALDJLH-HIFRSBDPSA-N 1 3 287.407 2.348 10 0 CEAEHO CCn1ncnc1C[C@@H](NC)C(CC)(CC)[NH+]1CCCC1 ZINC000091635302 180211155 /nfs/dbraw/zinc/21/11/55/180211155.db2.gz DJHFODZMFLFZNV-CQSZACIVSA-N 1 3 293.459 2.083 10 0 CEAEHO CC[NH+](CC)CC[C@H](N)Cc1ccncc1Cl ZINC000091715756 180232005 /nfs/dbraw/zinc/23/20/05/180232005.db2.gz FWTNYZDPPRCSLI-LBPRGKRZSA-N 1 3 255.793 2.337 10 0 CEAEHO CCn1nc(C)c(Cl)c1C[C@H](N)CC[NH+](CC)CC ZINC000091715848 180232338 /nfs/dbraw/zinc/23/23/38/180232338.db2.gz AHHQTEDUEQSHII-GFCCVEGCSA-N 1 3 286.851 2.467 10 0 CEAEHO C[NH2+]C1CCC(N(C)Cc2cnc(C)s2)CC1 ZINC000091871208 180277128 /nfs/dbraw/zinc/27/71/28/180277128.db2.gz DULBOSCYDZFSTE-UHFFFAOYSA-N 1 3 253.415 2.414 10 0 CEAEHO CCC[NH2+]C1CCC(N(C)[C@@H](C)C(=O)N(CC)CC)CC1 ZINC000091870122 180277572 /nfs/dbraw/zinc/27/75/72/180277572.db2.gz QDDINPRPUFAQDD-FHERZECASA-N 1 3 297.487 2.486 10 0 CEAEHO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C[C@@H]1COc2ccccc21 ZINC000092304612 180360583 /nfs/dbraw/zinc/36/05/83/180360583.db2.gz FVNUVJZWHCFVQM-RRCSTGOVSA-N 1 3 272.392 2.092 10 0 CEAEHO COc1ccc2c(c1)[C@@H](N1C[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000092387320 180374806 /nfs/dbraw/zinc/37/48/06/180374806.db2.gz YPTIBYLRSCGBHN-VBQJREDUSA-N 1 3 272.392 2.224 10 0 CEAEHO CCCN1CCC[C@H]([C@@H](C)[NH2+][C@H](CO)C(C)C)C1 ZINC000092394495 180376712 /nfs/dbraw/zinc/37/67/12/180376712.db2.gz KYVXUKQTIHHJLD-QLFBSQMISA-N 1 3 256.434 2.103 10 0 CEAEHO CCCNc1ccnc(CN2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000092419420 180381860 /nfs/dbraw/zinc/38/18/60/180381860.db2.gz ZTXMYKXDUNJTFR-MRXNPFEDSA-N 1 3 276.428 2.430 10 0 CEAEHO CCNc1cc[nH+]c(CN2CCN([C@@H](C)CC)CC2)c1 ZINC000092419006 180382682 /nfs/dbraw/zinc/38/26/82/180382682.db2.gz AXZLEVOXSYMROV-AWEZNQCLSA-N 1 3 276.428 2.430 10 0 CEAEHO CN1[C@@H]2CC[C@H]1CC(CN)([N@H+](C)CC1CCCC1)C2 ZINC000110834902 186328380 /nfs/dbraw/zinc/32/83/80/186328380.db2.gz HSQBYAGOKPKZKA-XYPWUTKMSA-N 1 3 265.445 2.063 10 0 CEAEHO CN1[C@@H]2CC[C@H]1CC(CN)([N@@H+](C)CC1CCCC1)C2 ZINC000110834902 186328382 /nfs/dbraw/zinc/32/83/82/186328382.db2.gz HSQBYAGOKPKZKA-XYPWUTKMSA-N 1 3 265.445 2.063 10 0 CEAEHO CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(Cl)cc2)CCN1C ZINC000110921112 186332363 /nfs/dbraw/zinc/33/23/63/186332363.db2.gz NDUJKXPUWVBHPM-CABCVRRESA-N 1 3 281.831 2.366 10 0 CEAEHO Cc1ccc([C@@H](C[NH3+])N2CCN(C)C(C)(C)C2)cc1F ZINC000110977987 186338621 /nfs/dbraw/zinc/33/86/21/186338621.db2.gz GUUHTZRBHAHQJL-OAHLLOKOSA-N 1 3 279.403 2.160 10 0 CEAEHO Cc1cccc([C@H](C[NH3+])N2CCN(C)C(C)(C)C2)c1C ZINC000110711798 186315506 /nfs/dbraw/zinc/31/55/06/186315506.db2.gz IXQVXKGRMCJFCA-INIZCTEOSA-N 1 3 275.440 2.329 10 0 CEAEHO CC[C@H]1CN([C@@H](C[NH3+])c2ccc(C)cc2C)CCN1C ZINC000110711278 186315724 /nfs/dbraw/zinc/31/57/24/186315724.db2.gz GQQVCANMMKCYAG-RDJZCZTQSA-N 1 3 275.440 2.329 10 0 CEAEHO C[NH2+][C@H]1c2ccccc2CC[C@H]1N1CCN(C)C(C)(C)C1 ZINC000110716828 186315888 /nfs/dbraw/zinc/31/58/88/186315888.db2.gz HSOQAIKWYCMEJH-SJORKVTESA-N 1 3 287.451 2.288 10 0 CEAEHO CC[C@@H]1CN([C@@H](C[NH3+])c2cc(C)cc(C)c2)CCN1C ZINC000110709881 186316712 /nfs/dbraw/zinc/31/67/12/186316712.db2.gz VITSFRDRRVYOHZ-SJORKVTESA-N 1 3 275.440 2.329 10 0 CEAEHO CCN1CCN(CC(C)(C)C[NH2+]C(C)C)C[C@@H]1C ZINC000110745832 186319459 /nfs/dbraw/zinc/31/94/59/186319459.db2.gz CABYQSAOJYTNLF-AWEZNQCLSA-N 1 3 255.450 2.037 10 0 CEAEHO C[NH2+][C@@H](CCN1CCN(C)C(C)(C)C1)C(C)(C)C ZINC000110746923 186319791 /nfs/dbraw/zinc/31/97/91/186319791.db2.gz ZQHQTTNLWIQHAC-ZDUSSCGKSA-N 1 3 255.450 2.037 10 0 CEAEHO CCN1CCN(CCC[NH2+]C2CCCCC2)C[C@@H]1C ZINC000110756582 186321587 /nfs/dbraw/zinc/32/15/87/186321587.db2.gz GGRRILCDUHSCST-HNNXBMFYSA-N 1 3 267.461 2.325 10 0 CEAEHO CC[C@H]1CN(CC[NH2+][C@@H]2CCCC[C@@H]2C)CCN1C ZINC000110757573 186321680 /nfs/dbraw/zinc/32/16/80/186321680.db2.gz XVJNWPAKUYRJKC-HRCADAONSA-N 1 3 267.461 2.181 10 0 CEAEHO CC(C)(C)N1CCN([C@@H](C[NH3+])c2cccc(F)c2F)CC1 ZINC000111039509 186347282 /nfs/dbraw/zinc/34/72/82/186347282.db2.gz OYXJPPJJUCDQJY-AWEZNQCLSA-N 1 3 297.393 2.381 10 0 CEAEHO Cc1nc(N(C)CCN(C)C)sc1C[NH2+]C(C)(C)C ZINC000111151807 186360920 /nfs/dbraw/zinc/36/09/20/186360920.db2.gz SSDJEMFPHYSLIP-UHFFFAOYSA-N 1 3 284.473 2.337 10 0 CEAEHO CC[NH2+][C@@H](C)c1ccc(NC(=O)N(C)CCN(C)C)cc1 ZINC000111149673 186361118 /nfs/dbraw/zinc/36/11/18/186361118.db2.gz MTKHTSYPUNQYNF-ZDUSSCGKSA-N 1 3 292.427 2.382 10 0 CEAEHO C[C@@H]([NH3+])[C@@H](c1ccc(Cl)s1)N(C)CCN(C)C ZINC000111130122 186356427 /nfs/dbraw/zinc/35/64/27/186356427.db2.gz MQIFITJKQQJXNT-SKDRFNHKSA-N 1 3 275.849 2.283 10 0 CEAEHO CC[C@@H]([NH3+])[C@@H](c1ccc(C)cc1)N(C)CCN(C)C ZINC000111129602 186356589 /nfs/dbraw/zinc/35/65/89/186356589.db2.gz JTXPMJCBIQGUCU-HZPDHXFCSA-N 1 3 263.429 2.267 10 0 CEAEHO CC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)N(C)CCN(C)C ZINC000111134958 186356996 /nfs/dbraw/zinc/35/69/96/186356996.db2.gz ZXLJLINZGCNVPX-RHSMWYFYSA-N 1 3 293.455 2.228 10 0 CEAEHO C[NH2+][C@H]1CC[C@@H](c2ccccc2)C[C@@H]1N(C)CCN(C)C ZINC000111135444 186357224 /nfs/dbraw/zinc/35/72/24/186357224.db2.gz ALZPSPKRKPNMGJ-SQNIBIBYSA-N 1 3 289.467 2.404 10 0 CEAEHO CCOc1ccc([C@@H](C)[NH3+])cc1CN(C)CCN(C)C ZINC000111135062 186357815 /nfs/dbraw/zinc/35/78/15/186357815.db2.gz RMYYTZGBYHXCEH-CYBMUJFWSA-N 1 3 279.428 2.098 10 0 CEAEHO CCOc1ccccc1[C@@H](CN(C)CCC[NH+](C)C)NC ZINC000111136298 186358142 /nfs/dbraw/zinc/35/81/42/186358142.db2.gz SYIYHZIGYIYBKY-MRXNPFEDSA-N 1 3 293.455 2.229 10 0 CEAEHO CN(C)CCC[N@H+](C)CC[C@@H](O)c1ccc(F)cc1 ZINC000111148685 186358273 /nfs/dbraw/zinc/35/82/73/186358273.db2.gz GSGGOICGAPIKIZ-OAHLLOKOSA-N 1 3 268.376 2.133 10 0 CEAEHO CN(C)CCC[N@@H+](C)CC[C@@H](O)c1ccc(F)cc1 ZINC000111148685 186358274 /nfs/dbraw/zinc/35/82/74/186358274.db2.gz GSGGOICGAPIKIZ-OAHLLOKOSA-N 1 3 268.376 2.133 10 0 CEAEHO C[N@H+](CC1CCOCC1)C[C@H]1CCCCC[C@@H]1N ZINC000111172610 186365732 /nfs/dbraw/zinc/36/57/32/186365732.db2.gz XFGRBIAOHAYVKD-CABCVRRESA-N 1 3 254.418 2.252 10 0 CEAEHO C[N@@H+](CC1CCOCC1)C[C@H]1CCCCC[C@@H]1N ZINC000111172610 186365734 /nfs/dbraw/zinc/36/57/34/186365734.db2.gz XFGRBIAOHAYVKD-CABCVRRESA-N 1 3 254.418 2.252 10 0 CEAEHO CC(C)[NH+](C[C@H](O)c1ccc2c(c1)CNCC2)C(C)C ZINC000675059146 540079539 /nfs/dbraw/zinc/07/95/39/540079539.db2.gz LMTCGLFKXIMJKL-KRWDZBQOSA-N 1 3 276.424 2.485 10 0 CEAEHO C[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)Oc1ccccc1 ZINC000569957916 299229395 /nfs/dbraw/zinc/22/93/95/299229395.db2.gz WOYRABXRSHQOGJ-QLFBSQMISA-N 1 3 262.397 2.432 10 0 CEAEHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCNC1)Oc1ccccc1 ZINC000569957916 299229396 /nfs/dbraw/zinc/22/93/96/299229396.db2.gz WOYRABXRSHQOGJ-QLFBSQMISA-N 1 3 262.397 2.432 10 0 CEAEHO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)C1 ZINC000224127783 540560603 /nfs/dbraw/zinc/56/06/03/540560603.db2.gz CWOZNEXTFRSPGE-CQJMVSDSSA-N 1 3 266.429 2.190 10 0 CEAEHO O[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000224127783 540560604 /nfs/dbraw/zinc/56/06/04/540560604.db2.gz CWOZNEXTFRSPGE-CQJMVSDSSA-N 1 3 266.429 2.190 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(c3ccnc4ccccc43)C[C@H]12 ZINC000261629284 283597179 /nfs/dbraw/zinc/59/71/79/283597179.db2.gz VRYBZPCZSAEOJO-KWCYVHTRSA-N 1 3 253.349 2.408 10 0 CEAEHO C[C@H]1CN(CCSc2ccccc2)C[C@H]1C[NH3+] ZINC000631840213 367580992 /nfs/dbraw/zinc/58/09/92/367580992.db2.gz ASJAQVGCMHGQES-QWHCGFSZSA-N 1 3 250.411 2.305 10 0 CEAEHO Cc1cnn(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000236009585 370582436 /nfs/dbraw/zinc/58/24/36/370582436.db2.gz QJNRDQBZCSBOOG-OWCLPIDISA-N 1 3 276.428 2.092 10 0 CEAEHO O[C@]12CCCC[C@H]1CN(CCC[NH+]1CCCCC1)CC2 ZINC000249308324 371313942 /nfs/dbraw/zinc/31/39/42/371313942.db2.gz DIGTZKNKIZILCP-IRXDYDNUSA-N 1 3 280.456 2.489 10 0 CEAEHO [NH3+][C@@H]1CC[C@H]2CN(CCSc3ccccc3)C[C@H]12 ZINC000261558239 371646102 /nfs/dbraw/zinc/64/61/02/371646102.db2.gz DBNBYFAWUNPPNB-AEGPPILISA-N 1 3 262.422 2.448 10 0 CEAEHO Cc1cccc(OCCN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261637081 371685693 /nfs/dbraw/zinc/68/56/93/371685693.db2.gz WPGWRDRIHJCUAG-CWRNSKLLSA-N 1 3 260.381 2.043 10 0 CEAEHO OCC[C@H]([NH2+][C@H]1CCCNCC1)C1CCCCC1 ZINC000423007352 376927030 /nfs/dbraw/zinc/92/70/30/376927030.db2.gz QKOYJDDGNVPYMV-GJZGRUSLSA-N 1 3 254.418 2.049 10 0 CEAEHO CC[C@H](CO)[NH+]1CCN(c2ccnc3c(C)cccc23)CC1 ZINC000301661308 379295114 /nfs/dbraw/zinc/29/51/14/379295114.db2.gz JNNWKHOZJMUFDB-OAHLLOKOSA-N 1 3 299.418 2.436 10 0 CEAEHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCC1(O)CCCC1 ZINC000093516710 184686907 /nfs/dbraw/zinc/68/69/07/184686907.db2.gz XGUZSJNOUFOVEU-ZIAGYGMSSA-N 1 3 254.418 2.192 10 0 CEAEHO CCN[C@@]1(CO)CCC[C@H]([NH+]2CCC(C)(C)CC2)C1 ZINC000093781384 184720531 /nfs/dbraw/zinc/72/05/31/184720531.db2.gz CARJXICEZFVXKW-HOCLYGCPSA-N 1 3 268.445 2.392 10 0 CEAEHO CC[NH2+][C@@]1(CO)CCC[C@H](N2CCC(C)(C)CC2)C1 ZINC000093781384 184720532 /nfs/dbraw/zinc/72/05/32/184720532.db2.gz CARJXICEZFVXKW-HOCLYGCPSA-N 1 3 268.445 2.392 10 0 CEAEHO CCCN(CCN(C)C)[C@H]1CCCC(C)(C)[C@@H]1[NH2+]C ZINC000094275069 184774699 /nfs/dbraw/zinc/77/46/99/184774699.db2.gz CLIIUZHIACQVQW-LSDHHAIUSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[NH2+][C@@H]1[C@H](N(C)C2CCN(C)CC2)CCC1(C)C ZINC000094303694 184777817 /nfs/dbraw/zinc/77/78/17/184777817.db2.gz UABHGXNBISLHTN-HUUCEWRRSA-N 1 3 267.461 2.179 10 0 CEAEHO C[C@@H](NCCCN(C)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400759713 533379338 /nfs/dbraw/zinc/37/93/38/533379338.db2.gz XWIDIQQLIOTCST-HUUCEWRRSA-N 1 3 261.413 2.101 10 0 CEAEHO Cc1cccc(N2CCN(CC3(CC(N)=[NH2+])CC3)CC2)c1 ZINC000088258151 135053599 /nfs/dbraw/zinc/05/35/99/135053599.db2.gz XLBYYQKTJNBQTG-UHFFFAOYSA-N 1 3 286.423 2.223 10 0 CEAEHO [NH3+][C@H]1C=C[C@H](CN2CCN(c3ccccc3Cl)CC2)C1 ZINC000092208946 135076227 /nfs/dbraw/zinc/07/62/27/135076227.db2.gz NKBXZUWZFNLXHU-KBPBESRZSA-N 1 3 291.826 2.365 10 0 CEAEHO CCC[NH2+]Cc1ccnc(N2CCN3CCCC[C@@H]3C2)c1 ZINC000094443187 135088960 /nfs/dbraw/zinc/08/89/60/135088960.db2.gz SQYKBHZOYDWMEH-MRXNPFEDSA-N 1 3 288.439 2.256 10 0 CEAEHO [NH3+]C[C@@H]1CN(C[C@@H]2CCCCO2)C[C@H]1c1ccccc1 ZINC000328347147 394552645 /nfs/dbraw/zinc/55/26/45/394552645.db2.gz MGKJZAWSOGTLJX-IKGGRYGDSA-N 1 3 274.408 2.230 10 0 CEAEHO [NH3+]C[C@@H](c1ccc(Cl)cc1)N1CCN(CC2CC2)CC1 ZINC000020179663 171044231 /nfs/dbraw/zinc/04/42/31/171044231.db2.gz SHNSSDFNGIILHR-INIZCTEOSA-N 1 3 293.842 2.367 10 0 CEAEHO Cc1ccccc1[C@@H](C[NH3+])N1CCN(CC2CC2)CC1 ZINC000020179450 171044436 /nfs/dbraw/zinc/04/44/36/171044436.db2.gz HZZDPRMRRNGREK-QGZVFWFLSA-N 1 3 273.424 2.022 10 0 CEAEHO [NH3+]CC[C@H](COc1cccc(F)c1)N1CCCC1 ZINC000020401977 171182631 /nfs/dbraw/zinc/18/26/31/171182631.db2.gz CKVPTHOJKHSSET-CYBMUJFWSA-N 1 3 252.333 2.018 10 0 CEAEHO C[C@H]1CC[N@H+](CCCC(=O)Nc2cccc(CN)c2)C1 ZINC000040717013 174384534 /nfs/dbraw/zinc/38/45/34/174384534.db2.gz AWZRXPBFHNFWSJ-ZDUSSCGKSA-N 1 3 275.396 2.206 10 0 CEAEHO C[C@H]1CC[N@@H+](CCCC(=O)Nc2cccc(CN)c2)C1 ZINC000040717013 174384535 /nfs/dbraw/zinc/38/45/35/174384535.db2.gz AWZRXPBFHNFWSJ-ZDUSSCGKSA-N 1 3 275.396 2.206 10 0 CEAEHO Cc1ccc([C@@H]([C@H](C)[NH3+])N(C)C2CCN(C)CC2)o1 ZINC000043363794 175024214 /nfs/dbraw/zinc/02/42/14/175024214.db2.gz JPGMKMXMVKODCQ-SWLSCSKDSA-N 1 3 265.401 2.002 10 0 CEAEHO CCCN1CCN(C[C@H]([NH2+]C)c2ccc(C)cc2)CC1 ZINC000043805202 175107594 /nfs/dbraw/zinc/10/75/94/175107594.db2.gz YERUWFDSXSBJCR-KRWDZBQOSA-N 1 3 275.440 2.283 10 0 CEAEHO CCC[NH2+][C@H]1CCCC[C@H]1N1CCN(CCC)CC1 ZINC000043805668 175107647 /nfs/dbraw/zinc/10/76/47/175107647.db2.gz XHKGKUYTESOKPZ-JKSUJKDBSA-N 1 3 267.461 2.325 10 0 CEAEHO CC[NH2+][C@H](CN1CCCN(C)CC1)c1ccccc1C ZINC000043818395 175112807 /nfs/dbraw/zinc/11/28/07/175112807.db2.gz DDLVUZHRWJAMLG-QGZVFWFLSA-N 1 3 275.440 2.283 10 0 CEAEHO C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)N1CCCN(C)CC1 ZINC000043818162 175112886 /nfs/dbraw/zinc/11/28/86/175112886.db2.gz ZUNHYLLFXFACMM-NVXWUHKLSA-N 1 3 275.440 2.282 10 0 CEAEHO C[NH2+][C@@H]1CCCCCC[C@@H]1N1CCN(C(C)C)CC1 ZINC000043896910 175120157 /nfs/dbraw/zinc/12/01/57/175120157.db2.gz WGXHTUBNZKYTRK-CVEARBPZSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[NH2+][C@@H](CC)[C@H](C)N1CCN(C(C)(C)C)CC1 ZINC000043965619 175127466 /nfs/dbraw/zinc/12/74/66/175127466.db2.gz QKWZJMPWZXSHNJ-KBPBESRZSA-N 1 3 255.450 2.179 10 0 CEAEHO CC[C@@H](C[NH3+])C(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000044798066 175254635 /nfs/dbraw/zinc/25/46/35/175254635.db2.gz GVGKBUMWKQYCSG-HOCLYGCPSA-N 1 3 291.439 2.171 10 0 CEAEHO CC(C)N1CC[C@@H](C[NH2+]CC2(O)CCCCCC2)C1 ZINC000045134849 175313127 /nfs/dbraw/zinc/31/31/27/175313127.db2.gz BLDVKKFTWHMAFN-HNNXBMFYSA-N 1 3 268.445 2.392 10 0 CEAEHO CO[C@@H](CN[C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000665284051 415672281 /nfs/dbraw/zinc/67/22/81/415672281.db2.gz ZMXAJIXHXNLYFL-CABCVRRESA-N 1 3 254.418 2.313 10 0 CEAEHO CC[C@@H]1CCC[C@@](C[NH3+])(N2CCN(C(C)C)CC2)C1 ZINC000071123423 176035466 /nfs/dbraw/zinc/03/54/66/176035466.db2.gz YIILNGOWFABQQC-HZPDHXFCSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@H]1CCCC[C@@]1(C[NH3+])N1CCN(C)C(C)(C)C1 ZINC000071162260 176045972 /nfs/dbraw/zinc/04/59/72/176045972.db2.gz ACZRNAHRAHNJOE-HOCLYGCPSA-N 1 3 267.461 2.310 10 0 CEAEHO CN(C[C@H]1CC[N@H+](C)C1)[C@@H](CN)c1c(F)cccc1Cl ZINC000071188492 176062617 /nfs/dbraw/zinc/06/26/17/176062617.db2.gz MQPXXONSEYCVPG-FZMZJTMJSA-N 1 3 299.821 2.362 10 0 CEAEHO CN(C[C@H]1CC[N@@H+](C)C1)[C@@H](CN)c1c(F)cccc1Cl ZINC000071188492 176062618 /nfs/dbraw/zinc/06/26/18/176062618.db2.gz MQPXXONSEYCVPG-FZMZJTMJSA-N 1 3 299.821 2.362 10 0 CEAEHO CCCNCc1cc(CN(C)C[C@H]2CC[N@H+](C)C2)c(C)o1 ZINC000071192073 176073649 /nfs/dbraw/zinc/07/36/49/176073649.db2.gz DMMQHVLJFIYJAP-HNNXBMFYSA-N 1 3 293.455 2.471 10 0 CEAEHO CCCNCc1cc(CN(C)C[C@H]2CC[N@@H+](C)C2)c(C)o1 ZINC000071192073 176073651 /nfs/dbraw/zinc/07/36/51/176073651.db2.gz DMMQHVLJFIYJAP-HNNXBMFYSA-N 1 3 293.455 2.471 10 0 CEAEHO [NH3+]Cc1cc(F)ccc1CN1CCCC[C@@H]1CCO ZINC000071249992 176094858 /nfs/dbraw/zinc/09/48/58/176094858.db2.gz NRHFOYVLWOFCTB-OAHLLOKOSA-N 1 3 266.360 2.021 10 0 CEAEHO CN(CCc1ccccn1)Cc1ccc(F)cc1C[NH3+] ZINC000071250086 176095028 /nfs/dbraw/zinc/09/50/28/176095028.db2.gz MUFZMYSAKAVMEV-UHFFFAOYSA-N 1 3 273.355 2.354 10 0 CEAEHO CCCN1CCN(CCCCCC[NH2+]CC)CC1 ZINC000071287486 176109683 /nfs/dbraw/zinc/10/96/83/176109683.db2.gz TUKKXIUCUSOEJH-UHFFFAOYSA-N 1 3 255.450 2.184 10 0 CEAEHO CC[NH+](CC)CCOc1ccc(C)cc1CNCCOC ZINC000071407593 176156501 /nfs/dbraw/zinc/15/65/01/176156501.db2.gz GXODEHLHOTVOLO-UHFFFAOYSA-N 1 3 294.439 2.452 10 0 CEAEHO C[C@H](NCCOCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000667006704 419511785 /nfs/dbraw/zinc/51/17/85/419511785.db2.gz UXYYTFMLIWQBFR-HOCLYGCPSA-N 1 3 262.397 2.181 10 0 CEAEHO C[C@H]([NH2+]CCOCc1ccccc1)[C@H]1CCCNC1 ZINC000667006704 419511793 /nfs/dbraw/zinc/51/17/93/419511793.db2.gz UXYYTFMLIWQBFR-HOCLYGCPSA-N 1 3 262.397 2.181 10 0 CEAEHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000263316753 275054774 /nfs/dbraw/zinc/05/47/74/275054774.db2.gz ZOXFZWWNZQIPLG-XABYNWHXSA-N 1 3 294.826 2.146 10 0 CEAEHO CC(C)(C)C1CCC(CNC[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263130814 278301234 /nfs/dbraw/zinc/30/12/34/278301234.db2.gz BPMGJUKTUQBSNR-HXSCFSKGSA-N 1 3 268.445 2.009 10 0 CEAEHO CC(C)(C)C1CCC(C[NH2+]C[C@@H]2CNC[C@H]2O)CC1 ZINC000263130814 278301237 /nfs/dbraw/zinc/30/12/37/278301237.db2.gz BPMGJUKTUQBSNR-HXSCFSKGSA-N 1 3 268.445 2.009 10 0 CEAEHO CC(C)[C@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)N1CCCCC1 ZINC000262147788 280159175 /nfs/dbraw/zinc/15/91/75/280159175.db2.gz XIASNSUPITWFHD-LSDHHAIUSA-N 1 3 295.471 2.083 10 0 CEAEHO CC(C)CN1CCN(C2(C[NH3+])CCC(C)CC2)CC1 ZINC000055078512 519725503 /nfs/dbraw/zinc/72/55/03/519725503.db2.gz IGEALLFNQYCAFK-UHFFFAOYSA-N 1 3 267.461 2.168 10 0 CEAEHO CC(C)C[NH2+]CCCCN1CCN(CC2CC2)CC1 ZINC000052372392 519743271 /nfs/dbraw/zinc/74/32/71/519743271.db2.gz ZINKATQDNZVXRI-UHFFFAOYSA-N 1 3 267.461 2.040 10 0 CEAEHO CCC[C@@H](C)[NH2+]C[C@H](C)N1CCN(CC(C)C)CC1 ZINC000055075953 520666821 /nfs/dbraw/zinc/66/68/21/520666821.db2.gz WIRWXPSIZIEATE-CVEARBPZSA-N 1 3 269.477 2.427 10 0 CEAEHO CCCN(CCN(C)C)[C@@H](C[NH2+]C(C)C)C(C)C ZINC000052544100 521657873 /nfs/dbraw/zinc/65/78/73/521657873.db2.gz OWJQELOXKZRMCD-HNNXBMFYSA-N 1 3 257.466 2.283 10 0 CEAEHO CC[C@@H](C)N1CCN(Cc2ccccc2C[NH3+])CC1 ZINC000055064204 522126177 /nfs/dbraw/zinc/12/61/77/522126177.db2.gz REUZCBZBQAXPHS-CQSZACIVSA-N 1 3 261.413 2.061 10 0 CEAEHO CC(C)(C)N1CCN([C@@H](C[NH3+])c2ccccc2F)CC1 ZINC000048927110 518713400 /nfs/dbraw/zinc/71/34/00/518713400.db2.gz CUANDLFKMVMCMU-HNNXBMFYSA-N 1 3 279.403 2.242 10 0 CEAEHO CC(C)N(CCCO)[C@@H](CC[NH3+])c1ccccc1 ZINC000055017100 519644853 /nfs/dbraw/zinc/64/48/53/519644853.db2.gz CMYBGSKKAJRNGJ-HNNXBMFYSA-N 1 3 250.386 2.169 10 0 CEAEHO CC(C)[N@H+](CCCO)[C@@H](CCN)c1ccccc1 ZINC000055017100 519644854 /nfs/dbraw/zinc/64/48/54/519644854.db2.gz CMYBGSKKAJRNGJ-HNNXBMFYSA-N 1 3 250.386 2.169 10 0 CEAEHO CC(C)[N@@H+](CCCO)[C@@H](CCN)c1ccccc1 ZINC000055017100 519644856 /nfs/dbraw/zinc/64/48/56/519644856.db2.gz CMYBGSKKAJRNGJ-HNNXBMFYSA-N 1 3 250.386 2.169 10 0 CEAEHO CC(C)[NH2+]C[C@H](C)CN1CCN(C2CCCC2)CC1 ZINC000052573480 519724460 /nfs/dbraw/zinc/72/44/60/519724460.db2.gz SYKCLFBXTYLEEO-HNNXBMFYSA-N 1 3 267.461 2.181 10 0 CEAEHO CC(C)CN1CCN(C[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000055083676 519726460 /nfs/dbraw/zinc/72/64/60/519726460.db2.gz WVTDQTYECKMPNO-BBWFWOEESA-N 1 3 279.472 2.181 10 0 CEAEHO CC(C)CN1CCN(C[C@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000055083680 519726494 /nfs/dbraw/zinc/72/64/94/519726494.db2.gz WVTDQTYECKMPNO-ZACQAIPSSA-N 1 3 279.472 2.181 10 0 CEAEHO CC(C)CN1CCN([C@@H](C)C[NH2+]Cc2cccs2)CC1 ZINC000055075889 519727534 /nfs/dbraw/zinc/72/75/34/519727534.db2.gz RNXWCSBBPRPBDG-HNNXBMFYSA-N 1 3 295.496 2.500 10 0 CEAEHO CC(C)CN1CCN([C@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000055075866 519728092 /nfs/dbraw/zinc/72/80/92/519728092.db2.gz YWSBQHYWMBXQJS-CQSZACIVSA-N 1 3 255.450 2.037 10 0 CEAEHO CCCC1CCN(Cc2ccnc(C(N)=[NH2+])c2)CC1 ZINC000068761835 519902060 /nfs/dbraw/zinc/90/20/60/519902060.db2.gz XAIWRUXPSDXISH-UHFFFAOYSA-N 1 3 260.385 2.378 10 0 CEAEHO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1CCN(C)C1 ZINC000054602690 519907772 /nfs/dbraw/zinc/90/77/72/519907772.db2.gz MIASOAOBMBZSJT-WTXIUTQJSA-N 1 3 265.445 2.076 10 0 CEAEHO CCC[NH2+]CC(C)(C)CN1CCN([C@@H](C)CC)CC1 ZINC000055072124 519908580 /nfs/dbraw/zinc/90/85/80/519908580.db2.gz RYNVZNKZKRQZKB-HNNXBMFYSA-N 1 3 269.477 2.428 10 0 CEAEHO CC[NH2+]C[C@@H](c1ccccc1)N1CCN(C(C)C)CC1 ZINC000052480155 519949716 /nfs/dbraw/zinc/94/97/16/519949716.db2.gz YOQYPFFJQBSKRC-KRWDZBQOSA-N 1 3 275.440 2.363 10 0 CEAEHO CC[NH2+]Cc1cccnc1N1CCN([C@H](C)CC)CC1 ZINC000055073343 520011537 /nfs/dbraw/zinc/01/15/37/520011537.db2.gz QJGMVKVPBFEKJH-CQSZACIVSA-N 1 3 276.428 2.112 10 0 CEAEHO CC[NH2+]Cc1oc(CN2CCN(CC(C)C)CC2)cc1C ZINC000055083121 520026877 /nfs/dbraw/zinc/02/68/77/520026877.db2.gz WSVPDOBOZQPFTM-UHFFFAOYSA-N 1 3 293.455 2.471 10 0 CEAEHO CC[NH2+][C@H](C)c1cnc(N(C)C2CCN(C)CC2)s1 ZINC000054899514 520180892 /nfs/dbraw/zinc/18/08/92/520180892.db2.gz YXDQRHUYAPUIFR-LLVKDONJSA-N 1 3 282.457 2.344 10 0 CEAEHO CCN(CC)CCc1noc(CC[C@@H]2CCCC[NH2+]2)n1 ZINC000050927949 520714287 /nfs/dbraw/zinc/71/42/87/520714287.db2.gz RWVHWXNJGSXNCC-ZDUSSCGKSA-N 1 3 280.416 2.029 10 0 CEAEHO CCC[C@@H]([NH3+])[C@H](CC)N1CCN([C@@H](C)CC)CC1 ZINC000055065343 520727107 /nfs/dbraw/zinc/72/71/07/520727107.db2.gz OSEFYCUHZMBADV-ZNMIVQPWSA-N 1 3 255.450 2.309 10 0 CEAEHO CCC(CC)(C[NH3+])CN1CCN(CC(C)C)CC1 ZINC000055081794 521426051 /nfs/dbraw/zinc/42/60/51/521426051.db2.gz KSKTYGOHKVZPIB-UHFFFAOYSA-N 1 3 255.450 2.025 10 0 CEAEHO CCN1CCC(N(C)C(=O)[C@H]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000055147777 521555769 /nfs/dbraw/zinc/55/57/69/521555769.db2.gz VEGZXWNGDCPNCD-GJZGRUSLSA-N 1 3 295.471 2.084 10 0 CEAEHO CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000055147775 521556218 /nfs/dbraw/zinc/55/62/18/521556218.db2.gz VEGZXWNGDCPNCD-LSDHHAIUSA-N 1 3 295.471 2.084 10 0 CEAEHO CC[NH+]1CCC(N(C)[C@@H]2CNCc3ccccc32)CC1 ZINC000069266615 521566890 /nfs/dbraw/zinc/56/68/90/521566890.db2.gz LBYIHHALNOHUSI-QGZVFWFLSA-N 1 3 273.424 2.247 10 0 CEAEHO CCCN(CCN(C)C)CC1(C[NH2+]C)CCCCC1 ZINC000051254336 521656637 /nfs/dbraw/zinc/65/66/37/521656637.db2.gz SLRNQKFMNAHFOW-UHFFFAOYSA-N 1 3 269.477 2.430 10 0 CEAEHO C[NH+](C)C[C@@H]1CCCN1c1nc(C(C)(C)C)c(CN)s1 ZINC000061655580 521844966 /nfs/dbraw/zinc/84/49/66/521844966.db2.gz RPAALXPQSCZFCA-NSHDSACASA-N 1 3 296.484 2.430 10 0 CEAEHO CNCC1(C[N@@H+]2CCC[C@H]2CCCO)CCCCC1 ZINC000052765378 521968923 /nfs/dbraw/zinc/96/89/23/521968923.db2.gz IYNCUDKUNFENBA-HNNXBMFYSA-N 1 3 268.445 2.393 10 0 CEAEHO CNCC1(C[N@H+]2CCC[C@H]2CCCO)CCCCC1 ZINC000052765378 521968934 /nfs/dbraw/zinc/96/89/34/521968934.db2.gz IYNCUDKUNFENBA-HNNXBMFYSA-N 1 3 268.445 2.393 10 0 CEAEHO CC[C@@H](C)N1CCN(C2(C[NH3+])CCCCC2)CC1 ZINC000055064605 522118326 /nfs/dbraw/zinc/11/83/26/522118326.db2.gz DHIXQJJUYPKQDZ-CQSZACIVSA-N 1 3 253.434 2.064 10 0 CEAEHO CC[C@@H](C)N1CCN(CC[NH2+]CCCC(C)C)CC1 ZINC000055075462 522122646 /nfs/dbraw/zinc/12/26/46/522122646.db2.gz RQQMTJQUZFAGJJ-MRXNPFEDSA-N 1 3 269.477 2.428 10 0 CEAEHO CC[C@@H](C)N1CCN(Cc2cc(C[NH3+])ccc2F)CC1 ZINC000055064270 522127268 /nfs/dbraw/zinc/12/72/68/522127268.db2.gz AKJQLXZOIZPCAA-CYBMUJFWSA-N 1 3 279.403 2.201 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C[NH3+])c2ccc(F)cc2F)CC1 ZINC000055064525 522131239 /nfs/dbraw/zinc/13/12/39/522131239.db2.gz BFONUPIPZHQDOV-MLGOLLRUSA-N 1 3 297.393 2.381 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C[NH3+])c2ccc(C)o2)CC1 ZINC000055064069 522132015 /nfs/dbraw/zinc/13/20/15/522132015.db2.gz PQQYXDSCBQZTQE-TZMCWYRMSA-N 1 3 265.401 2.004 10 0 CEAEHO C[NH2+][C@H](C)c1sc(N2CCC[C@@H]2CN(C)C)nc1C ZINC000061655439 522455649 /nfs/dbraw/zinc/45/56/49/522455649.db2.gz MLHBZVKOEWIRPU-ZYHUDNBSSA-N 1 3 282.457 2.262 10 0 CEAEHO CC[C@@H]([NH3+])[C@@H](c1cccnc1)N1CCN(CC(C)C)CC1 ZINC000055077477 522649694 /nfs/dbraw/zinc/64/96/94/522649694.db2.gz VOFPGAJBAHIICS-IAGOWNOFSA-N 1 3 290.455 2.134 10 0 CEAEHO CC[C@@H]1CC[C@@H](CN)[C@H]([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061642540 523352272 /nfs/dbraw/zinc/35/22/72/523352272.db2.gz USWSIGFDDOHJFA-QKPAOTATSA-N 1 3 267.461 2.166 10 0 CEAEHO CC[C@@H]1CC[C@@H](CN)[C@H]([N@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061642540 523352279 /nfs/dbraw/zinc/35/22/79/523352279.db2.gz USWSIGFDDOHJFA-QKPAOTATSA-N 1 3 267.461 2.166 10 0 CEAEHO CC[C@H]1CSC(N[C@@H](C)CN2CCCCC2)=[NH+]1 ZINC000049502343 523354617 /nfs/dbraw/zinc/35/46/17/523354617.db2.gz XFEKWZVCGAIXDA-RYUDHWBXSA-N 1 3 255.431 2.332 10 0 CEAEHO CC[C@@]1(C(=O)Nc2cccc(CN(C)C)c2)CCC[NH2+]C1 ZINC000062855077 523698966 /nfs/dbraw/zinc/69/89/66/523698966.db2.gz WPIRFOOTIAEPEP-QGZVFWFLSA-N 1 3 289.423 2.467 10 0 CEAEHO CC[C@H](C)N1CCN(CCCC[C@@H](C)[NH2+]C)CC1 ZINC000055065106 523952817 /nfs/dbraw/zinc/95/28/17/523952817.db2.gz GZHUZHILKFJLOS-CABCVRRESA-N 1 3 255.450 2.181 10 0 CEAEHO CC[C@H](C)N1CCN(Cc2cc(C[NH2+]C)c(C)o2)CC1 ZINC000055073850 523955322 /nfs/dbraw/zinc/95/53/22/523955322.db2.gz OEPWBFRRPIQSOC-ZDUSSCGKSA-N 1 3 279.428 2.224 10 0 CEAEHO CC[C@H](C)N1CCN(Cc2ccccc2C[NH2+]C)CC1 ZINC000055074020 523956238 /nfs/dbraw/zinc/95/62/38/523956238.db2.gz LOIQCRUULSPULW-HNNXBMFYSA-N 1 3 275.440 2.322 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](CC)C[NH2+]CC(C)C)CC1 ZINC000055074660 523957704 /nfs/dbraw/zinc/95/77/04/523957704.db2.gz ZVWDQKRIMWQRQJ-HOTGVXAUSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C[NH3+])c2ccc(F)cc2F)CC1 ZINC000055064527 523958914 /nfs/dbraw/zinc/95/89/14/523958914.db2.gz BFONUPIPZHQDOV-BLLLJJGKSA-N 1 3 297.393 2.381 10 0 CEAEHO C[C@H](CCC[NH3+])O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000061702319 524139953 /nfs/dbraw/zinc/13/99/53/524139953.db2.gz VFBMAOARNFMFBO-GDBMZVCRSA-N 1 3 262.397 2.405 10 0 CEAEHO C[C@H](CC[NH2+]C(C)(C)C)N1CCN(CC2CC2)CC1 ZINC000052372546 524194125 /nfs/dbraw/zinc/19/41/25/524194125.db2.gz QVRSCVICWXWGSA-CQSZACIVSA-N 1 3 267.461 2.181 10 0 CEAEHO C[C@H](C[NH2+]C(C)(C)C)N1CCN(C2CCCC2)CC1 ZINC000052573456 524479858 /nfs/dbraw/zinc/47/98/58/524479858.db2.gz XZIFLSGXBKBLBC-CQSZACIVSA-N 1 3 267.461 2.323 10 0 CEAEHO Cc1ccc(C[NH2+]CCN2CCN(CC(C)C)CC2)s1 ZINC000055076132 524576307 /nfs/dbraw/zinc/57/63/07/524576307.db2.gz UTMISEFXZLEVEG-UHFFFAOYSA-N 1 3 295.496 2.420 10 0 CEAEHO C[C@@H](C[NH2+]C(C)(C)C)N1CCN(C2CCCC2)CC1 ZINC000052573455 524734366 /nfs/dbraw/zinc/73/43/66/524734366.db2.gz XZIFLSGXBKBLBC-AWEZNQCLSA-N 1 3 267.461 2.323 10 0 CEAEHO C[C@H](N)[C@@H]([N@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050514059 524837055 /nfs/dbraw/zinc/83/70/55/524837055.db2.gz ICXKGIAZPOIDDM-DZGCQCFKSA-N 1 3 264.413 2.243 10 0 CEAEHO C[C@H](N)[C@@H]([N@@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050514059 524837059 /nfs/dbraw/zinc/83/70/59/524837059.db2.gz ICXKGIAZPOIDDM-DZGCQCFKSA-N 1 3 264.413 2.243 10 0 CEAEHO Cc1cc(F)ccc1[C@H](C[NH3+])N1CCN(CC2CC2)CC1 ZINC000050578946 525008907 /nfs/dbraw/zinc/00/89/07/525008907.db2.gz POFPLDYTNDRIFZ-KRWDZBQOSA-N 1 3 291.414 2.162 10 0 CEAEHO C[C@@H]([NH3+])c1cccc(NC(=O)N2CCC[C@@H]2CN(C)C)c1 ZINC000061655765 525030142 /nfs/dbraw/zinc/03/01/42/525030142.db2.gz ZGSLDQKHMKKVFV-IUODEOHRSA-N 1 3 290.411 2.264 10 0 CEAEHO Cc1cc([C@H](CN)N2CCC([NH+](C)C)CC2)ccc1F ZINC000050546107 525536335 /nfs/dbraw/zinc/53/63/35/525536335.db2.gz VKGCBTIMQFKDFA-INIZCTEOSA-N 1 3 279.403 2.160 10 0 CEAEHO Cc1ccc([C@@H]([NH3+])CN2CCN(CC(C)C)CC2)cc1 ZINC000055079038 525764976 /nfs/dbraw/zinc/76/49/76/525764976.db2.gz MRCQKNWUKSGABG-KRWDZBQOSA-N 1 3 275.440 2.268 10 0 CEAEHO CC(C)CN1CCC2(CC1)[NH2+]C[C@@H](C1CC1)CO2 ZINC000757153620 574511113 /nfs/dbraw/zinc/51/11/13/574511113.db2.gz YHBUVGDXXDPCQK-CQSZACIVSA-N 1 3 252.402 2.081 10 0 CEAEHO CN(C)CC[C@@H]([NH3+])Cc1ccccc1Br ZINC000096944856 185134563 /nfs/dbraw/zinc/13/45/63/185134563.db2.gz DXOLGJFIFDHEMP-LLVKDONJSA-N 1 3 271.202 2.271 10 0 CEAEHO C[NH+](C)CC[C@@H](N)Cc1ccccc1Br ZINC000096944856 185134565 /nfs/dbraw/zinc/13/45/65/185134565.db2.gz DXOLGJFIFDHEMP-LLVKDONJSA-N 1 3 271.202 2.271 10 0 CEAEHO CCn1ncc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c1C ZINC000169781449 344482698 /nfs/dbraw/zinc/48/26/98/344482698.db2.gz SLHBOWJENUTBKA-MRXNPFEDSA-N 1 3 290.455 2.375 10 0 CEAEHO CN(C)CCOC1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000584601715 344962823 /nfs/dbraw/zinc/96/28/23/344962823.db2.gz MQTZMAHWEDNHKZ-UHFFFAOYSA-N 1 3 282.815 2.497 10 0 CEAEHO CN(C)Cc1cccc(NC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000054306788 362525143 /nfs/dbraw/zinc/52/51/43/362525143.db2.gz UEDWYXPARCRNDG-ZDUSSCGKSA-N 1 3 275.396 2.076 10 0 CEAEHO CCCN1CCN(CCC2([NH3+])CCCCC2)CC1 ZINC000084188058 178821155 /nfs/dbraw/zinc/82/11/55/178821155.db2.gz MMVIWLCYXVMYQH-UHFFFAOYSA-N 1 3 253.434 2.066 10 0 CEAEHO CN(C)Cc1ccccc1NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085359249 179031804 /nfs/dbraw/zinc/03/18/04/179031804.db2.gz MIMJQFAKQUKJFW-KBPBESRZSA-N 1 3 275.396 2.204 10 0 CEAEHO C[C@@H]1CCN[C@H](C(C)(C)C)C[N@@H+]1CCCn1ccnc1 ZINC000085624038 179106591 /nfs/dbraw/zinc/10/65/91/179106591.db2.gz JQGYMJGSTJVUIK-CABCVRRESA-N 1 3 278.444 2.372 10 0 CEAEHO C[C@@H]1CCN[C@H](C(C)(C)C)C[N@H+]1CCCn1ccnc1 ZINC000085624038 179106592 /nfs/dbraw/zinc/10/65/92/179106592.db2.gz JQGYMJGSTJVUIK-CABCVRRESA-N 1 3 278.444 2.372 10 0 CEAEHO C[C@@H]1CC[NH2+][C@H](C(C)(C)C)CN1CCCn1ccnc1 ZINC000085624038 179106593 /nfs/dbraw/zinc/10/65/93/179106593.db2.gz JQGYMJGSTJVUIK-CABCVRRESA-N 1 3 278.444 2.372 10 0 CEAEHO C[C@@H]1CCN[C@@H](C(C)(C)C)C[N@@H+]1CCCn1ccnc1 ZINC000085624043 179107273 /nfs/dbraw/zinc/10/72/73/179107273.db2.gz JQGYMJGSTJVUIK-HUUCEWRRSA-N 1 3 278.444 2.372 10 0 CEAEHO C[C@@H]1CCN[C@@H](C(C)(C)C)C[N@H+]1CCCn1ccnc1 ZINC000085624043 179107274 /nfs/dbraw/zinc/10/72/74/179107274.db2.gz JQGYMJGSTJVUIK-HUUCEWRRSA-N 1 3 278.444 2.372 10 0 CEAEHO C[C@@H]1CC[NH2+][C@@H](C(C)(C)C)CN1CCCn1ccnc1 ZINC000085624043 179107275 /nfs/dbraw/zinc/10/72/75/179107275.db2.gz JQGYMJGSTJVUIK-HUUCEWRRSA-N 1 3 278.444 2.372 10 0 CEAEHO CC(C)(C)[C@H]1C[N@H+](C[C@@H]2CCCCO2)CCCN1 ZINC000085613838 179103100 /nfs/dbraw/zinc/10/31/00/179103100.db2.gz YUIFZVMNAVFERM-UONOGXRCSA-N 1 3 254.418 2.266 10 0 CEAEHO CC(C)(C)[C@H]1C[N@@H+](C[C@@H]2CCCCO2)CCCN1 ZINC000085613838 179103102 /nfs/dbraw/zinc/10/31/02/179103102.db2.gz YUIFZVMNAVFERM-UONOGXRCSA-N 1 3 254.418 2.266 10 0 CEAEHO Cc1nccn1CCN1CCC[NH2+][C@@H](C2CCCCC2)C1 ZINC000085615133 179103684 /nfs/dbraw/zinc/10/36/84/179103684.db2.gz GGNIBEFODAFTRA-QGZVFWFLSA-N 1 3 290.455 2.436 10 0 CEAEHO Cc1nccn1CCN1C[C@@](C)(C2CC2)[NH2+]CC[C@@H]1C ZINC000085623649 179105267 /nfs/dbraw/zinc/10/52/67/179105267.db2.gz QXZNDYIPUPRXBK-BBRMVZONSA-N 1 3 276.428 2.044 10 0 CEAEHO Cc1nccn1CC[N@H+]1C[C@@](C)(C2CC2)NCC[C@@H]1C ZINC000085623649 179105268 /nfs/dbraw/zinc/10/52/68/179105268.db2.gz QXZNDYIPUPRXBK-BBRMVZONSA-N 1 3 276.428 2.044 10 0 CEAEHO Cc1nccn1CC[N@@H+]1C[C@@](C)(C2CC2)NCC[C@@H]1C ZINC000085623649 179105269 /nfs/dbraw/zinc/10/52/69/179105269.db2.gz QXZNDYIPUPRXBK-BBRMVZONSA-N 1 3 276.428 2.044 10 0 CEAEHO C[N@@H+]1CCCC[C@H]1CN1CCN[C@](C)(c2ccccc2)C1 ZINC000086145808 179238427 /nfs/dbraw/zinc/23/84/27/179238427.db2.gz WNEADCUYTFEVGM-ROUUACIJSA-N 1 3 287.451 2.291 10 0 CEAEHO C[N@H+]1CCCC[C@H]1CN1CCN[C@](C)(c2ccccc2)C1 ZINC000086145808 179238431 /nfs/dbraw/zinc/23/84/31/179238431.db2.gz WNEADCUYTFEVGM-ROUUACIJSA-N 1 3 287.451 2.291 10 0 CEAEHO CC(C)[C@@H]1CN[C@@H](C(C)C)C[N@H+]1[C@@H]1CN2CCC1CC2 ZINC000086152546 179240617 /nfs/dbraw/zinc/24/06/17/179240617.db2.gz AJKJHOUKSZEKIO-IXDOHACOSA-N 1 3 279.472 2.035 10 0 CEAEHO CC(C)[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1[C@@H]1CN2CCC1CC2 ZINC000086152546 179240620 /nfs/dbraw/zinc/24/06/20/179240620.db2.gz AJKJHOUKSZEKIO-IXDOHACOSA-N 1 3 279.472 2.035 10 0 CEAEHO CC[C@@H](C)[C@@H]1C[N@H+](C2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086153955 179241349 /nfs/dbraw/zinc/24/13/49/179241349.db2.gz WBIJVSRNDJOKFP-PVAVHDDUSA-N 1 3 281.488 2.425 10 0 CEAEHO CC[C@@H](C)[C@@H]1C[N@@H+](C2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086153955 179241351 /nfs/dbraw/zinc/24/13/51/179241351.db2.gz WBIJVSRNDJOKFP-PVAVHDDUSA-N 1 3 281.488 2.425 10 0 CEAEHO CCN1CCC[C@@H]([N@@H+]2C[C@H](C(C)C)NC[C@@H]2C(C)C)C1 ZINC000086172546 179244130 /nfs/dbraw/zinc/24/41/30/179244130.db2.gz OOGRVYDUIZSAOC-BRWVUGGUSA-N 1 3 281.488 2.425 10 0 CEAEHO CCN1CCC[C@@H]([N@H+]2C[C@H](C(C)C)NC[C@@H]2C(C)C)C1 ZINC000086172546 179244132 /nfs/dbraw/zinc/24/41/32/179244132.db2.gz OOGRVYDUIZSAOC-BRWVUGGUSA-N 1 3 281.488 2.425 10 0 CEAEHO CC[C@@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1C1CCN(C)CC1 ZINC000086217809 179249667 /nfs/dbraw/zinc/24/96/67/179249667.db2.gz FIRBVJXROBTDMH-UKRRQHHQSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1CN[C@@H](C(C)(C)C)C[N@H+]1C1CCN(C)CC1 ZINC000086217809 179249669 /nfs/dbraw/zinc/24/96/69/179249669.db2.gz FIRBVJXROBTDMH-UKRRQHHQSA-N 1 3 267.461 2.179 10 0 CEAEHO CC(C)[C@@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223184 179251679 /nfs/dbraw/zinc/25/16/79/179251679.db2.gz VZGGZBNVCIBAJF-OWCLPIDISA-N 1 3 281.488 2.283 10 0 CEAEHO CC(C)[C@@H]1CN[C@@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223184 179251682 /nfs/dbraw/zinc/25/16/82/179251682.db2.gz VZGGZBNVCIBAJF-OWCLPIDISA-N 1 3 281.488 2.283 10 0 CEAEHO CC(C)[C@H]1CN[C@@H](C2CC2)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259226 179258261 /nfs/dbraw/zinc/25/82/61/179258261.db2.gz OLRRCYQUADKSIX-DJIMGWMZSA-N 1 3 279.472 2.037 10 0 CEAEHO CC(C)[C@H]1CN[C@@H](C2CC2)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259226 179258263 /nfs/dbraw/zinc/25/82/63/179258263.db2.gz OLRRCYQUADKSIX-DJIMGWMZSA-N 1 3 279.472 2.037 10 0 CEAEHO CC[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259202 179258470 /nfs/dbraw/zinc/25/84/70/179258470.db2.gz YMFFJVNNIPVYDS-HYVNUMGLSA-N 1 3 279.472 2.181 10 0 CEAEHO CC[C@H]1CN[C@@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259202 179258471 /nfs/dbraw/zinc/25/84/71/179258471.db2.gz YMFFJVNNIPVYDS-HYVNUMGLSA-N 1 3 279.472 2.181 10 0 CEAEHO CC[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259590 179258667 /nfs/dbraw/zinc/25/86/67/179258667.db2.gz OVCHMINBZTYZQS-UAGQMJEPSA-N 1 3 277.456 2.076 10 0 CEAEHO CC[C@H]1CN[C@](C)(C2CC2)C[N@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259590 179258668 /nfs/dbraw/zinc/25/86/68/179258668.db2.gz OVCHMINBZTYZQS-UAGQMJEPSA-N 1 3 277.456 2.076 10 0 CEAEHO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259590 179258670 /nfs/dbraw/zinc/25/86/70/179258670.db2.gz OVCHMINBZTYZQS-UAGQMJEPSA-N 1 3 277.456 2.076 10 0 CEAEHO C[NH+](C)C1CCN(c2nc3c(s2)CCC[C@@H]3N)CC1 ZINC000086442777 179293809 /nfs/dbraw/zinc/29/38/09/179293809.db2.gz GPJQTOWXEXEUBO-NSHDSACASA-N 1 3 280.441 2.010 10 0 CEAEHO CC(C)[N@@H+]1CCC[C@H](NCCc2ccccn2)CC1 ZINC000086835406 179349947 /nfs/dbraw/zinc/34/99/47/179349947.db2.gz YDFRJUGLDHLOFO-INIZCTEOSA-N 1 3 261.413 2.477 10 0 CEAEHO CC(C)[N@H+]1CCC[C@H](NCCc2ccccn2)CC1 ZINC000086835406 179349949 /nfs/dbraw/zinc/34/99/49/179349949.db2.gz YDFRJUGLDHLOFO-INIZCTEOSA-N 1 3 261.413 2.477 10 0 CEAEHO CC(C)N1CCC[C@H]([NH2+]CCc2ccccn2)CC1 ZINC000086835406 179349951 /nfs/dbraw/zinc/34/99/51/179349951.db2.gz YDFRJUGLDHLOFO-INIZCTEOSA-N 1 3 261.413 2.477 10 0 CEAEHO CCN1CCC[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000086836115 179350693 /nfs/dbraw/zinc/35/06/93/179350693.db2.gz YORHTTPCISKVFP-HNNXBMFYSA-N 1 3 290.407 2.422 10 0 CEAEHO CCN1CCC[C@H]([NH2+]C2CCN(C(=O)C(C)C)CC2)CC1 ZINC000086840387 179351662 /nfs/dbraw/zinc/35/16/62/179351662.db2.gz HZDXCMZGWILONL-HNNXBMFYSA-N 1 3 295.471 2.097 10 0 CEAEHO CCN1CCC[C@H]([NH2+]CCc2ccc(O)cc2)CC1 ZINC000086842471 179353207 /nfs/dbraw/zinc/35/32/07/179353207.db2.gz YXDOVANYQSPWMM-HNNXBMFYSA-N 1 3 262.397 2.399 10 0 CEAEHO CCCN1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000086844149 179354456 /nfs/dbraw/zinc/35/44/56/179354456.db2.gz VUCGHDPLIFWBSC-ZNMIVQPWSA-N 1 3 254.418 2.144 10 0 CEAEHO CCC[N@@H+]1CCC[C@H](N[C@@H]2CCCC[C@@H]2O)CC1 ZINC000086844149 179354457 /nfs/dbraw/zinc/35/44/57/179354457.db2.gz VUCGHDPLIFWBSC-ZNMIVQPWSA-N 1 3 254.418 2.144 10 0 CEAEHO CCC[N@H+]1CCC[C@H](N[C@@H]2CCCC[C@@H]2O)CC1 ZINC000086844149 179354458 /nfs/dbraw/zinc/35/44/58/179354458.db2.gz VUCGHDPLIFWBSC-ZNMIVQPWSA-N 1 3 254.418 2.144 10 0 CEAEHO CC(C)C[C@H](CN(C)C)NC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000088276441 179574075 /nfs/dbraw/zinc/57/40/75/179574075.db2.gz OEQZAEJYIPCKME-LSDHHAIUSA-N 1 3 285.476 2.090 10 0 CEAEHO CCCN(CCN(C)C)[C@H](C[NH3+])c1ccc(COC)cc1 ZINC000088568880 179626375 /nfs/dbraw/zinc/62/63/75/179626375.db2.gz WTTZCODFSMGLRK-QGZVFWFLSA-N 1 3 293.455 2.106 10 0 CEAEHO C[N@H+](Cc1ccc(Cl)cc1)C[C@@]1(C)COC[C@@H]1N ZINC000090606677 180010981 /nfs/dbraw/zinc/01/09/81/180010981.db2.gz SYWWHXRSOCMWHB-KBPBESRZSA-N 1 3 268.788 2.136 10 0 CEAEHO C[N@@H+](Cc1ccc(Cl)cc1)C[C@@]1(C)COC[C@@H]1N ZINC000090606677 180010984 /nfs/dbraw/zinc/01/09/84/180010984.db2.gz SYWWHXRSOCMWHB-KBPBESRZSA-N 1 3 268.788 2.136 10 0 CEAEHO CN(C[C@@H]1Cc2ccccc2O1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000090876296 180052452 /nfs/dbraw/zinc/05/24/52/180052452.db2.gz KSHJWHXVGDUHQX-OWCLPIDISA-N 1 3 274.408 2.439 10 0 CEAEHO C[N@H+](C[C@@H]1Cc2ccccc2O1)[C@@H]1CCCC[C@@H]1CN ZINC000090876296 180052453 /nfs/dbraw/zinc/05/24/53/180052453.db2.gz KSHJWHXVGDUHQX-OWCLPIDISA-N 1 3 274.408 2.439 10 0 CEAEHO C[N@@H+](C[C@@H]1Cc2ccccc2O1)[C@@H]1CCCC[C@@H]1CN ZINC000090876296 180052454 /nfs/dbraw/zinc/05/24/54/180052454.db2.gz KSHJWHXVGDUHQX-OWCLPIDISA-N 1 3 274.408 2.439 10 0 CEAEHO CCN(C[C@@H](C)C[NH3+])C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090879174 180053344 /nfs/dbraw/zinc/05/33/44/180053344.db2.gz NSBSQJLYUMIKJN-FZMZJTMJSA-N 1 3 266.360 2.046 10 0 CEAEHO CC(=O)Nc1ccsc1C[NH2+][C@@H](C)CCN(C)C ZINC000090960468 180075675 /nfs/dbraw/zinc/07/56/75/180075675.db2.gz DVPGJLPLJAZNLH-JTQLQIEISA-N 1 3 269.414 2.136 10 0 CEAEHO CC[C@@](C)(C[NH3+])C1(O)CCN(Cc2ccccc2)CC1 ZINC000669377179 539758487 /nfs/dbraw/zinc/75/84/87/539758487.db2.gz ISTLKHUXYVGBJT-INIZCTEOSA-N 1 3 276.424 2.389 10 0 CEAEHO CC(C)C[NH2+]Cc1cncc(OCCN2CCCCC2)n1 ZINC000091434553 180154358 /nfs/dbraw/zinc/15/43/58/180154358.db2.gz IEZRYCNZZIOYCQ-UHFFFAOYSA-N 1 3 292.427 2.087 10 0 CEAEHO C[C@@H]([NH3+])c1ccc(NC(=O)N2CCC[C@@H](N(C)C)C2)cc1 ZINC000091450419 180157899 /nfs/dbraw/zinc/15/78/99/180157899.db2.gz ZDRHNSHCQJHHAO-IUODEOHRSA-N 1 3 290.411 2.264 10 0 CEAEHO CC[C@H]([C@@H](N)c1ccccc1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091392311 180144799 /nfs/dbraw/zinc/14/47/99/180144799.db2.gz XCONYSFBAJVMMN-BBWFWOEESA-N 1 3 275.440 2.491 10 0 CEAEHO C[C@@H]1C[C@@H](C)CC(CN)([N@@H+]2CCC[C@H](N(C)C)C2)C1 ZINC000091392542 180144828 /nfs/dbraw/zinc/14/48/28/180144828.db2.gz XPMZHOWTGYNNMC-KFWWJZLASA-N 1 3 267.461 2.166 10 0 CEAEHO C[C@@H]1C[C@@H](C)CC(CN)([N@H+]2CCC[C@H](N(C)C)C2)C1 ZINC000091392542 180144829 /nfs/dbraw/zinc/14/48/29/180144829.db2.gz XPMZHOWTGYNNMC-KFWWJZLASA-N 1 3 267.461 2.166 10 0 CEAEHO CN[C@@H](C)C(C)(C)C[N@H+](CCO)C1CCCCC1 ZINC000091403844 180147027 /nfs/dbraw/zinc/14/70/27/180147027.db2.gz YFZINGGHMLPKJA-ZDUSSCGKSA-N 1 3 256.434 2.248 10 0 CEAEHO CN[C@@H](C)C(C)(C)C[N@@H+](CCO)C1CCCCC1 ZINC000091403844 180147029 /nfs/dbraw/zinc/14/70/29/180147029.db2.gz YFZINGGHMLPKJA-ZDUSSCGKSA-N 1 3 256.434 2.248 10 0 CEAEHO C[NH2+][C@@H](C)C(C)(C)CN(CCO)C1CCCCC1 ZINC000091403844 180147030 /nfs/dbraw/zinc/14/70/30/180147030.db2.gz YFZINGGHMLPKJA-ZDUSSCGKSA-N 1 3 256.434 2.248 10 0 CEAEHO CC[NH2+][C@H](C)C(C)(C)CN(C)[C@@H]1CCCN(C)C1 ZINC000091404614 180147183 /nfs/dbraw/zinc/14/71/83/180147183.db2.gz VCGRTEZFQDQUAK-ZIAGYGMSSA-N 1 3 255.450 2.037 10 0 CEAEHO CCn1cc(C[C@@H]([NH3+])[C@@](C)(CC)N2CCCC2)cn1 ZINC000091605034 180204659 /nfs/dbraw/zinc/20/46/59/180204659.db2.gz CZDYLQNQVZCHMR-HUUCEWRRSA-N 1 3 264.417 2.037 10 0 CEAEHO CC(C)(C)[NH2+]CC[C@@](C)(O)[C@H]1NCCc2ccccc21 ZINC000091519802 180178306 /nfs/dbraw/zinc/17/83/06/180178306.db2.gz NLJVNCBJOVLMTG-DOTOQJQBSA-N 1 3 276.424 2.403 10 0 CEAEHO COc1cccc(C[C@H]([NH3+])C(C)(C)N2CCCC2)c1 ZINC000091534074 180181389 /nfs/dbraw/zinc/18/13/89/180181389.db2.gz VCARLHWRXVPJFN-HNNXBMFYSA-N 1 3 262.397 2.439 10 0 CEAEHO CCn1ncnc1C[C@H](NC)C(CC)(CC)[NH+]1CCCC1 ZINC000091635303 180211205 /nfs/dbraw/zinc/21/12/05/180211205.db2.gz DJHFODZMFLFZNV-AWEZNQCLSA-N 1 3 293.459 2.083 10 0 CEAEHO Cc1cc(C)cc(C[C@H](N)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091720831 180236258 /nfs/dbraw/zinc/23/62/58/180236258.db2.gz MDARXSNBLWEMRB-IXDOHACOSA-N 1 3 274.408 2.036 10 0 CEAEHO Cc1cc(C)cc(C[C@H](N)[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000091720831 180236261 /nfs/dbraw/zinc/23/62/61/180236261.db2.gz MDARXSNBLWEMRB-IXDOHACOSA-N 1 3 274.408 2.036 10 0 CEAEHO CCC[NH2+]C1CCC(N(C)CC(=O)NCC(C)C)CC1 ZINC000091870140 180277263 /nfs/dbraw/zinc/27/72/63/180277263.db2.gz ZRYRAIIYFVXWJK-UHFFFAOYSA-N 1 3 283.460 2.001 10 0 CEAEHO CCN1CCC(O)([C@@]2(C[NH3+])CCCc3ccccc32)CC1 ZINC000091906293 180284300 /nfs/dbraw/zinc/28/43/00/180284300.db2.gz LMTKEMLONXWLGY-QGZVFWFLSA-N 1 3 288.435 2.066 10 0 CEAEHO CCNCc1coc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000092003688 180304207 /nfs/dbraw/zinc/30/42/07/180304207.db2.gz GVENNZOYCOWBSQ-CABCVRRESA-N 1 3 277.412 2.058 10 0 CEAEHO CCNCc1coc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000092003688 180304208 /nfs/dbraw/zinc/30/42/08/180304208.db2.gz GVENNZOYCOWBSQ-CABCVRRESA-N 1 3 277.412 2.058 10 0 CEAEHO CC(C)NCc1occc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003614 180304484 /nfs/dbraw/zinc/30/44/84/180304484.db2.gz OPQYXSCEPWBTRJ-CVEARBPZSA-N 1 3 291.439 2.446 10 0 CEAEHO CC(C)NCc1occc1CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003614 180304486 /nfs/dbraw/zinc/30/44/86/180304486.db2.gz OPQYXSCEPWBTRJ-CVEARBPZSA-N 1 3 291.439 2.446 10 0 CEAEHO Cc1ncc(C[NH2+]C[C@@H]2CCN(C)C2)n1-c1ccccc1 ZINC000092128857 180329876 /nfs/dbraw/zinc/32/98/76/180329876.db2.gz LQOQWMNKLRMCFG-HNNXBMFYSA-N 1 3 284.407 2.222 10 0 CEAEHO COc1ccc(CN2C[C@H](C)[C@@H](C)C2)cc1C(N)=[NH2+] ZINC000092085693 180320547 /nfs/dbraw/zinc/32/05/47/180320547.db2.gz IDFXQGIENBWYBY-QWRGUYRKSA-N 1 3 261.369 2.067 10 0 CEAEHO C[C@H]1C[NH+](CC2(CNC3CC3)CCOCC2)C[C@@H]1C ZINC000092088349 180321760 /nfs/dbraw/zinc/32/17/60/180321760.db2.gz VYXXIAPWQPJECQ-KBPBESRZSA-N 1 3 266.429 2.123 10 0 CEAEHO NC(=[NH2+])C1CCN(CCSc2ccccc2)CC1 ZINC000092262373 180354653 /nfs/dbraw/zinc/35/46/53/180354653.db2.gz YVQSXTOQGZBDJK-UHFFFAOYSA-N 1 3 263.410 2.427 10 0 CEAEHO CC[NH+](CC)C[C@@H](C)NC[C@H]1COc2ccccc21 ZINC000092300582 180358438 /nfs/dbraw/zinc/35/84/38/180358438.db2.gz LNMFXYCNZVTKFQ-KGLIPLIRSA-N 1 3 262.397 2.483 10 0 CEAEHO CC[C@@H]1CN([C@@H](c2ccccc2)[C@@H](C)[NH3+])CCN1C ZINC000110703909 186314164 /nfs/dbraw/zinc/31/41/64/186314164.db2.gz MAJWDXOOFLQURM-FVQBIDKESA-N 1 3 261.413 2.101 10 0 CEAEHO C[C@H](c1ccccc1)[C@@H](C[NH3+])N1CCN(C)C(C)(C)C1 ZINC000110711745 186315242 /nfs/dbraw/zinc/31/52/42/186315242.db2.gz NSPSFPRERFUEAK-GDBMZVCRSA-N 1 3 275.440 2.143 10 0 CEAEHO CC[C@H]1CN([C@@H](C[NH3+])c2cccc(C)c2C)CCN1C ZINC000110710352 186316011 /nfs/dbraw/zinc/31/60/11/186316011.db2.gz XHMAAWSTGSBXQB-RDJZCZTQSA-N 1 3 275.440 2.329 10 0 CEAEHO CCN1CCN(CC[NH2+]Cc2sccc2C)C[C@@H]1C ZINC000110756885 186319688 /nfs/dbraw/zinc/31/96/88/186319688.db2.gz QGMDRAHFYUGECO-AWEZNQCLSA-N 1 3 281.469 2.172 10 0 CEAEHO CC[C@H]1CN(CC[NH2+][C@@H](C)c2cccs2)CCN1C ZINC000110757096 186319879 /nfs/dbraw/zinc/31/98/79/186319879.db2.gz AYEXOCPFNBOFFY-KBPBESRZSA-N 1 3 281.469 2.425 10 0 CEAEHO C[C@@H](C[NH2+]C1CCCCC1)N1CCN(C)C(C)(C)C1 ZINC000110757698 186321151 /nfs/dbraw/zinc/32/11/51/186321151.db2.gz JLXBDPIOPJCJMH-AWEZNQCLSA-N 1 3 267.461 2.323 10 0 CEAEHO CN1CCN(CC(C)(C)C[NH2+]C(C)(C)C)CC1(C)C ZINC000110747347 186321549 /nfs/dbraw/zinc/32/15/49/186321549.db2.gz QYRQSRDYMBUXFC-UHFFFAOYSA-N 1 3 269.477 2.427 10 0 CEAEHO CCN1CCN(Cc2ccoc2C[NH2+]C(C)C)C[C@@H]1C ZINC000110752573 186321701 /nfs/dbraw/zinc/32/17/01/186321701.db2.gz MALMWJQMOXOCGI-AWEZNQCLSA-N 1 3 279.428 2.304 10 0 CEAEHO CCOCC[N@H+](CC)CCCOc1ccccc1CN ZINC000111117235 186355378 /nfs/dbraw/zinc/35/53/78/186355378.db2.gz YHUOQOVAXFFVON-UHFFFAOYSA-N 1 3 280.412 2.273 10 0 CEAEHO CCOCC[N@@H+](CC)CCCOc1ccccc1CN ZINC000111117235 186355380 /nfs/dbraw/zinc/35/53/80/186355380.db2.gz YHUOQOVAXFFVON-UHFFFAOYSA-N 1 3 280.412 2.273 10 0 CEAEHO C[C@H]([NH3+])[C@@H](c1ccccc1Cl)N(C)CCN(C)C ZINC000111129938 186356079 /nfs/dbraw/zinc/35/60/79/186356079.db2.gz IFFKVGGDCKFPPW-FZMZJTMJSA-N 1 3 269.820 2.222 10 0 CEAEHO C[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N(C)CCN(C)C ZINC000111130196 186356394 /nfs/dbraw/zinc/35/63/94/186356394.db2.gz ZFUBLZJLNGASBA-SMDDNHRTSA-N 1 3 269.820 2.222 10 0 CEAEHO CCOc1ccc([C@@H](C)[NH2+]C)cc1CN(C)CCN(C)C ZINC000111134745 186357209 /nfs/dbraw/zinc/35/72/09/186357209.db2.gz XWULUMDTBOSHPW-CQSZACIVSA-N 1 3 293.455 2.359 10 0 CEAEHO CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1N(C)CCN(C)C ZINC000111134500 186357878 /nfs/dbraw/zinc/35/78/78/186357878.db2.gz RNGJPBLVQMJOPI-DLBZAZTESA-N 1 3 275.440 2.145 10 0 CEAEHO CCC[NH2+][C@H](CCN(C)CCN(C)C)C(C)(C)C ZINC000111146792 186358260 /nfs/dbraw/zinc/35/82/60/186358260.db2.gz KHOITNLTHGXSPZ-CQSZACIVSA-N 1 3 257.466 2.284 10 0 CEAEHO C[NH2+][C@H](c1ccccc1)[C@@H](C)CN(C)CCN(C)C ZINC000111147266 186358276 /nfs/dbraw/zinc/35/82/76/186358276.db2.gz UIIBEQWVGRNZCQ-HOCLYGCPSA-N 1 3 263.429 2.077 10 0 CEAEHO CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1CN(C)CCN(C)C ZINC000111147111 186358671 /nfs/dbraw/zinc/35/86/71/186358671.db2.gz UDMPNUNFSJONOF-XHSDSOJGSA-N 1 3 269.477 2.284 10 0 CEAEHO CC[C@@](C)(C[NH2+]CC(C)C)CN(C)CCN(C)C ZINC000111147221 186358888 /nfs/dbraw/zinc/35/88/88/186358888.db2.gz SBATVQWCMNXIEY-HNNXBMFYSA-N 1 3 257.466 2.142 10 0 CEAEHO CN(CCC[NH+](C)C)c1nc(C(C)(C)C)c(CN)s1 ZINC000111151984 186359905 /nfs/dbraw/zinc/35/99/05/186359905.db2.gz DTWNCQCVMOCJNY-UHFFFAOYSA-N 1 3 284.473 2.287 10 0 CEAEHO CC1CCN(C[C@]2(C[NH2+]C3CC3)CCCOC2)CC1 ZINC000111323619 186396543 /nfs/dbraw/zinc/39/65/43/186396543.db2.gz NOURUZLSTQKKAQ-MRXNPFEDSA-N 1 3 266.429 2.267 10 0 CEAEHO CC1CC[NH+](C[C@]2(CNC3CC3)CCCOC2)CC1 ZINC000111323619 186396545 /nfs/dbraw/zinc/39/65/45/186396545.db2.gz NOURUZLSTQKKAQ-MRXNPFEDSA-N 1 3 266.429 2.267 10 0 CEAEHO CC(C)C[NH2+]C[C@]1(CN(C)CC2CC2)CCCOC1 ZINC000111326070 186398296 /nfs/dbraw/zinc/39/82/96/186398296.db2.gz JOJZOJUESQFREF-INIZCTEOSA-N 1 3 268.445 2.371 10 0 CEAEHO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccccc1CN1CCCC1 ZINC000111267028 186383235 /nfs/dbraw/zinc/38/32/35/186383235.db2.gz OLZVKNVVVJHJRY-ZFWWWQNUSA-N 1 3 287.407 2.076 10 0 CEAEHO C[C@H]([NH2+]CCc1ccc(F)cc1)[C@H]1CCCNC1 ZINC000578303815 366472914 /nfs/dbraw/zinc/47/29/14/366472914.db2.gz ULPRXLMFFZZMMN-JSGCOSHPSA-N 1 3 250.361 2.346 10 0 CEAEHO C[C@H](NCCc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000578303815 366472916 /nfs/dbraw/zinc/47/29/16/366472916.db2.gz ULPRXLMFFZZMMN-JSGCOSHPSA-N 1 3 250.361 2.346 10 0 CEAEHO Cc1ccc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)o1 ZINC000121096705 365523799 /nfs/dbraw/zinc/52/37/99/365523799.db2.gz HVYDIVDXUORYME-CYBMUJFWSA-N 1 3 280.412 2.113 10 0 CEAEHO C[C@H]1CN(CCSc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000631837693 367576782 /nfs/dbraw/zinc/57/67/82/367576782.db2.gz WFIHSTUJTNAMJS-RYUDHWBXSA-N 1 3 268.401 2.444 10 0 CEAEHO COc1ccc([C@H](C)CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000194540685 370048338 /nfs/dbraw/zinc/04/83/38/370048338.db2.gz WMHNOCHDDYAIBU-BMFZPTHFSA-N 1 3 274.408 2.292 10 0 CEAEHO COc1ccc([C@H](C)CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1 ZINC000194540685 370048339 /nfs/dbraw/zinc/04/83/39/370048339.db2.gz WMHNOCHDDYAIBU-BMFZPTHFSA-N 1 3 274.408 2.292 10 0 CEAEHO CC(C)C[C@H](CN(C)C)NC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000251435991 371401770 /nfs/dbraw/zinc/40/17/70/371401770.db2.gz UDKCYTSWLQESGS-OWCLPIDISA-N 1 3 297.487 2.105 10 0 CEAEHO C[C@@H]1[C@@H](N[C@@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000261549259 371643143 /nfs/dbraw/zinc/64/31/43/371643143.db2.gz OKYAYGMRFVEIPI-NXHRZFHOSA-N 1 3 287.451 2.381 10 0 CEAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc4ncccc4c3)C[C@H]12 ZINC000261765180 371723156 /nfs/dbraw/zinc/72/31/56/371723156.db2.gz OCTVSOGPCIZWNQ-HRCADAONSA-N 1 3 267.376 2.404 10 0 CEAEHO NC[C@@H]1C[N@H+](C[C@H]2CCSC2)C[C@H]1c1ccccc1 ZINC000261822985 371744339 /nfs/dbraw/zinc/74/43/39/371744339.db2.gz ILSWYHPKGUPKSV-BMFZPTHFSA-N 1 3 276.449 2.414 10 0 CEAEHO NC[C@@H]1C[N@@H+](C[C@H]2CCSC2)C[C@H]1c1ccccc1 ZINC000261822985 371744342 /nfs/dbraw/zinc/74/43/42/371744342.db2.gz ILSWYHPKGUPKSV-BMFZPTHFSA-N 1 3 276.449 2.414 10 0 CEAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(OC(F)F)cc3)C[C@H]12 ZINC000261844823 371747903 /nfs/dbraw/zinc/74/79/03/371747903.db2.gz WBETWCVKQSJNIF-FPMFFAJLSA-N 1 3 282.334 2.457 10 0 CEAEHO COC(=O)[C@@H]1CCCCCC[C@@H]1[NH2+]C[C@H]1CCCNC1 ZINC000261932017 371775005 /nfs/dbraw/zinc/77/50/05/371775005.db2.gz LQTXVNCDICMHQZ-ZNMIVQPWSA-N 1 3 282.428 2.088 10 0 CEAEHO COC(=O)[C@@H]1CCCCCC[C@@H]1NC[C@H]1CCC[NH2+]C1 ZINC000261932017 371775012 /nfs/dbraw/zinc/77/50/12/371775012.db2.gz LQTXVNCDICMHQZ-ZNMIVQPWSA-N 1 3 282.428 2.088 10 0 CEAEHO C1CCC2(C1)[C@H]([NH2+][C@@H]1CCCNCC1)[C@H]1CCO[C@H]12 ZINC000423021595 376936394 /nfs/dbraw/zinc/93/63/94/376936394.db2.gz CLIQTDUMWUUKPR-KBUPBQIOSA-N 1 3 264.413 2.066 10 0 CEAEHO C[NH+](C)[C@H]1CCCN(c2ccc(Cl)cc2CN)C1 ZINC000091393824 135068937 /nfs/dbraw/zinc/06/89/37/135068937.db2.gz FDGSDVCCCPEMGW-ZDUSSCGKSA-N 1 3 267.804 2.329 10 0 CEAEHO [NH3+][C@H]1CC[C@@H](CN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000091545236 135071842 /nfs/dbraw/zinc/07/18/42/135071842.db2.gz AZNFSSIDXRMIQX-HIFRSBDPSA-N 1 3 277.387 2.075 10 0 CEAEHO O[C@H]1CCC[C@H](C[NH+]2CCC(N3CCCCC3)CC2)C1 ZINC000383358408 395186132 /nfs/dbraw/zinc/18/61/32/395186132.db2.gz DGMRTFVEGUSYAA-RDJZCZTQSA-N 1 3 280.456 2.488 10 0 CEAEHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(CN(C)C)cc1 ZINC000384436401 395193823 /nfs/dbraw/zinc/19/38/23/395193823.db2.gz XGQGTLRLNDYNKD-WFASDCNBSA-N 1 3 275.396 2.075 10 0 CEAEHO CC[NH+](CC)CCCN1CCC[C@@H]1Cn1ccnc1C ZINC000191804991 153187789 /nfs/dbraw/zinc/18/77/89/153187789.db2.gz KNFSBKFLGCABRO-MRXNPFEDSA-N 1 3 278.444 2.388 10 0 CEAEHO CCN(CC)CCC[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000191804991 153187793 /nfs/dbraw/zinc/18/77/93/153187793.db2.gz KNFSBKFLGCABRO-MRXNPFEDSA-N 1 3 278.444 2.388 10 0 CEAEHO CCN(CC)CCC[N@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000191804991 153187800 /nfs/dbraw/zinc/18/78/00/153187800.db2.gz KNFSBKFLGCABRO-MRXNPFEDSA-N 1 3 278.444 2.388 10 0 CEAEHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000263206521 154035366 /nfs/dbraw/zinc/03/53/66/154035366.db2.gz JTRDUXJBYOTWIA-SYAUCNOPSA-N 1 3 294.826 2.146 10 0 CEAEHO CN1CCC[N@@H+](C2(CN)CCCCCCC2)CC1 ZINC000020217739 171079503 /nfs/dbraw/zinc/07/95/03/171079503.db2.gz KKWMNWJUMUNBRN-UHFFFAOYSA-N 1 3 253.434 2.066 10 0 CEAEHO CN1CCC[N@H+](C2(CN)CCCCCCC2)CC1 ZINC000020217739 171079505 /nfs/dbraw/zinc/07/95/05/171079505.db2.gz KKWMNWJUMUNBRN-UHFFFAOYSA-N 1 3 253.434 2.066 10 0 CEAEHO Cc1cc(C)cc(OC[C@@H](CC[NH3+])N2CCCC2)c1 ZINC000020402083 171182128 /nfs/dbraw/zinc/18/21/28/171182128.db2.gz QDZJDWAEIZSXAJ-OAHLLOKOSA-N 1 3 262.397 2.495 10 0 CEAEHO CCN1CCC([NH2+][C@@H](C)[C@H]2CCCN(CC)C2)CC1 ZINC000038098048 174112839 /nfs/dbraw/zinc/11/28/39/174112839.db2.gz RKFMIEFCFBFHFB-GJZGRUSLSA-N 1 3 267.461 2.181 10 0 CEAEHO NC[C@H](c1ccco1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693737 174377805 /nfs/dbraw/zinc/37/78/05/174377805.db2.gz NICGZGXBDHNTON-OAHLLOKOSA-N 1 3 277.412 2.230 10 0 CEAEHO CC[C@H](N)[C@H](c1ccco1)N1CCC([NH+](C)C)CC1 ZINC000043335171 175011067 /nfs/dbraw/zinc/01/10/67/175011067.db2.gz PKEXNEJEJOWQTP-DZGCQCFKSA-N 1 3 265.401 2.084 10 0 CEAEHO Cc1cc(C)cc([C@@H](C[NH3+])N2CCN(C(C)C)CC2)c1 ZINC000043394171 175035087 /nfs/dbraw/zinc/03/50/87/175035087.db2.gz CLTQIZLDEGKDDK-QGZVFWFLSA-N 1 3 275.440 2.329 10 0 CEAEHO CCC[C@H]([NH2+]C)[C@H](CC)N(C)C1CCN(C)CC1 ZINC000043815237 175111777 /nfs/dbraw/zinc/11/17/77/175111777.db2.gz SQHAXTGRBKDHMJ-GJZGRUSLSA-N 1 3 255.450 2.179 10 0 CEAEHO CC[NH2+][C@@H]1c2ccccc2CC[C@H]1N1CCCN(C)CC1 ZINC000043818465 175112873 /nfs/dbraw/zinc/11/28/73/175112873.db2.gz AVGZFMWQRXJICZ-QZTJIDSGSA-N 1 3 287.451 2.290 10 0 CEAEHO CCC[NH2+][C@@H](CN1CCCN(C)CC1)C(C)(C)C ZINC000043818523 175113399 /nfs/dbraw/zinc/11/33/99/175113399.db2.gz MSJJIZPSCVZGGH-AWEZNQCLSA-N 1 3 255.450 2.038 10 0 CEAEHO CCC[C@@H]([NH2+]C)[C@H](CC)N1CCN(C(C)C)CC1 ZINC000043896976 175120059 /nfs/dbraw/zinc/12/00/59/175120059.db2.gz VLKIPPZMEYDFIH-CABCVRRESA-N 1 3 255.450 2.179 10 0 CEAEHO CN[C@H]1CCCCCC[C@@H]1[N@H+](C)C1CCOCC1 ZINC000043898145 175121530 /nfs/dbraw/zinc/12/15/30/175121530.db2.gz ZBZIASGUDIVLPC-GJZGRUSLSA-N 1 3 254.418 2.408 10 0 CEAEHO CN[C@H]1CCCCCC[C@@H]1[N@@H+](C)C1CCOCC1 ZINC000043898145 175121531 /nfs/dbraw/zinc/12/15/31/175121531.db2.gz ZBZIASGUDIVLPC-GJZGRUSLSA-N 1 3 254.418 2.408 10 0 CEAEHO CC[NH2+][C@@H](CC)[C@@H](C)N1CCN(C(C)(C)C)CC1 ZINC000043965613 175127203 /nfs/dbraw/zinc/12/72/03/175127203.db2.gz QKWZJMPWZXSHNJ-KGLIPLIRSA-N 1 3 255.450 2.179 10 0 CEAEHO CCC[NH2+][C@H](C)[C@@H](C)N1CCN(C(C)(C)C)CC1 ZINC000043965734 175127321 /nfs/dbraw/zinc/12/73/21/175127321.db2.gz RWGKJIYOAAQADZ-ZIAGYGMSSA-N 1 3 255.450 2.179 10 0 CEAEHO CCN[C@@H]1CCOC[C@H]1[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073257 175302573 /nfs/dbraw/zinc/30/25/73/175302573.db2.gz ZRNNDKIDIJSTHT-BZUAXINKSA-N 1 3 266.429 2.408 10 0 CEAEHO CCN[C@@H]1CCOC[C@H]1[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073257 175302574 /nfs/dbraw/zinc/30/25/74/175302574.db2.gz ZRNNDKIDIJSTHT-BZUAXINKSA-N 1 3 266.429 2.408 10 0 CEAEHO CC(C)CCOCCN1C[C@H](C)C[NH2+]C[C@@H](C)C1 ZINC000045109377 175309296 /nfs/dbraw/zinc/30/92/96/175309296.db2.gz HTLXONJLOVKBLC-HUUCEWRRSA-N 1 3 256.434 2.227 10 0 CEAEHO Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000045171442 175321114 /nfs/dbraw/zinc/32/11/14/175321114.db2.gz RQRRCUOPBLFXED-FZMZJTMJSA-N 1 3 276.428 2.172 10 0 CEAEHO CC[N@H+](CCCC[C@@](C)(NC1CC1)C(N)=O)CC(C)C ZINC000045381749 175370058 /nfs/dbraw/zinc/37/00/58/175370058.db2.gz BDLKOYKTFRXQRP-MRXNPFEDSA-N 1 3 283.460 2.131 10 0 CEAEHO CC[N@@H+](CCCC[C@@](C)(NC1CC1)C(N)=O)CC(C)C ZINC000045381749 175370060 /nfs/dbraw/zinc/37/00/60/175370060.db2.gz BDLKOYKTFRXQRP-MRXNPFEDSA-N 1 3 283.460 2.131 10 0 CEAEHO CCC[C@H]1CC[C@@H](CN)[C@H]([N@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071188221 176063208 /nfs/dbraw/zinc/06/32/08/176063208.db2.gz QQFJLNSMDZZAGG-VVLHAWIVSA-N 1 3 281.488 2.414 10 0 CEAEHO CCC[C@H]1CC[C@@H](CN)[C@H]([N@@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071188221 176063210 /nfs/dbraw/zinc/06/32/10/176063210.db2.gz QQFJLNSMDZZAGG-VVLHAWIVSA-N 1 3 281.488 2.414 10 0 CEAEHO Cc1ccc([C@H](O)[C@H](C)N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071190635 176068672 /nfs/dbraw/zinc/06/86/72/176068672.db2.gz JCXQXWZLTWSLCL-ZMSDIMECSA-N 1 3 276.424 2.300 10 0 CEAEHO Cc1ccc([C@H](O)[C@H](C)N(C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071190635 176068673 /nfs/dbraw/zinc/06/86/73/176068673.db2.gz JCXQXWZLTWSLCL-ZMSDIMECSA-N 1 3 276.424 2.300 10 0 CEAEHO CC(C)NCc1ccoc1CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071191933 176072800 /nfs/dbraw/zinc/07/28/00/176072800.db2.gz QUKRPGLLFYFRRR-AWEZNQCLSA-N 1 3 279.428 2.161 10 0 CEAEHO CC(C)NCc1ccoc1CN(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071191933 176072801 /nfs/dbraw/zinc/07/28/01/176072801.db2.gz QUKRPGLLFYFRRR-AWEZNQCLSA-N 1 3 279.428 2.161 10 0 CEAEHO CC(C)C[C@@H](CN(C)C)N1CCC[C@H]([NH2+]C2CC2)C1 ZINC000071200591 176077476 /nfs/dbraw/zinc/07/74/76/176077476.db2.gz PYPZMYBZPXFYDP-HOTGVXAUSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1CCn1ccnc1C ZINC000071346526 176132126 /nfs/dbraw/zinc/13/21/26/176132126.db2.gz CEZQDYNXXHJGTI-LSDHHAIUSA-N 1 3 278.444 2.290 10 0 CEAEHO CC[C@H]1CN[C@@H](C(C)(C)C)C[N@H+]1CCn1ccnc1C ZINC000071346526 176132128 /nfs/dbraw/zinc/13/21/28/176132128.db2.gz CEZQDYNXXHJGTI-LSDHHAIUSA-N 1 3 278.444 2.290 10 0 CEAEHO CN(C)CCOc1ccc(C[NH3+])cc1C(F)(F)F ZINC000071398434 176151745 /nfs/dbraw/zinc/15/17/45/176151745.db2.gz NACIDQRLRLAFJH-UHFFFAOYSA-N 1 3 262.275 2.105 10 0 CEAEHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH2+]C1 ZINC000390555421 262216346 /nfs/dbraw/zinc/21/63/46/262216346.db2.gz LFUUICPNYHESCS-IRXDYDNUSA-N 1 3 287.451 2.239 10 0 CEAEHO CCN1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000093490932 279322780 /nfs/dbraw/zinc/32/27/80/279322780.db2.gz HCXWHWKMMJJCEV-VVLHAWIVSA-N 1 3 279.472 2.371 10 0 CEAEHO C[C@H](CN(C)Cc1ccccc1)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000516272847 313085926 /nfs/dbraw/zinc/08/59/26/313085926.db2.gz MZURLLMHXHEIDL-NUJGCVRESA-N 1 3 289.467 2.485 10 0 CEAEHO CC[NH2+]Cc1coc(CN(CC)[C@H](C)COC)c1 ZINC000052504906 520017588 /nfs/dbraw/zinc/01/75/88/520017588.db2.gz CGQMMFHJZLBLEO-GFCCVEGCSA-N 1 3 254.374 2.246 10 0 CEAEHO CCC[C@@](C)(C[NH3+])CN1CCN([C@@H](C)CC)CC1 ZINC000055072078 520909545 /nfs/dbraw/zinc/90/95/45/520909545.db2.gz NEOLEMJFEKEOFU-GJZGRUSLSA-N 1 3 255.450 2.168 10 0 CEAEHO CCN(CCOC)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054560304 521135651 /nfs/dbraw/zinc/13/56/51/521135651.db2.gz BDEDAVNANWKOJH-ILXRZTDVSA-N 1 3 256.434 2.354 10 0 CEAEHO CCCN(CCN(C)C)CC(C)(C)C[NH2+]C(C)C ZINC000051254316 521656314 /nfs/dbraw/zinc/65/63/14/521656314.db2.gz NZBCOCAYYPTKKO-UHFFFAOYSA-N 1 3 257.466 2.284 10 0 CEAEHO CNCC1(C[N@H+](CC(C)C)C2CC2)CCOCC1 ZINC000052182789 521969035 /nfs/dbraw/zinc/96/90/35/521969035.db2.gz CHKKELZNDJMRTN-UHFFFAOYSA-N 1 3 254.418 2.123 10 0 CEAEHO CNCC1(C[N@@H+](CC(C)C)C2CC2)CCOCC1 ZINC000052182789 521969039 /nfs/dbraw/zinc/96/90/39/521969039.db2.gz CHKKELZNDJMRTN-UHFFFAOYSA-N 1 3 254.418 2.123 10 0 CEAEHO C[NH2+]Cc1c2ccccc2oc1COCCN(C)C ZINC000052669794 522103184 /nfs/dbraw/zinc/10/31/84/522103184.db2.gz DAQXPOMDYUXSKE-UHFFFAOYSA-N 1 3 262.353 2.230 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](C)CC[NH2+]CC(C)C)CC1 ZINC000055074881 522128117 /nfs/dbraw/zinc/12/81/17/522128117.db2.gz NNBQFLGLRLHAPS-CVEARBPZSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000055074107 522132786 /nfs/dbraw/zinc/13/27/86/522132786.db2.gz BBPDBUGQIPAWFJ-ZIAGYGMSSA-N 1 3 255.450 2.179 10 0 CEAEHO CC(C)(C)N1CCN(C[C@](C)([NH3+])c2ccccc2)CC1 ZINC000052883466 518710138 /nfs/dbraw/zinc/71/01/38/518710138.db2.gz FMRMHVANYJCPHB-KRWDZBQOSA-N 1 3 275.440 2.277 10 0 CEAEHO CC(C)N1CCN(c2cccc(Cl)c2C(N)=[NH2+])CC1 ZINC000052905097 519683938 /nfs/dbraw/zinc/68/39/38/519683938.db2.gz IYVPCRQCOYDSNZ-UHFFFAOYSA-N 1 3 280.803 2.154 10 0 CEAEHO CC(C)CN1CCN([C@@H](C)CC[NH2+]C(C)(C)C)CC1 ZINC000055083107 519727512 /nfs/dbraw/zinc/72/75/12/519727512.db2.gz MJYISQDGFBYDII-HNNXBMFYSA-N 1 3 269.477 2.427 10 0 CEAEHO CC(C)CN1CCN([C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000055079047 519727680 /nfs/dbraw/zinc/72/76/80/519727680.db2.gz JNDUQWXNCHKQIQ-DOTOQJQBSA-N 1 3 275.440 2.349 10 0 CEAEHO CC(C)C[NH2+]CCCCCN1CCN(C(C)C)CC1 ZINC000052480107 519743317 /nfs/dbraw/zinc/74/33/17/519743317.db2.gz SJNZAOPOUPTVQX-UHFFFAOYSA-N 1 3 269.477 2.428 10 0 CEAEHO CC(C)[C@@H]1CC[C@H](N)[C@H]([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061643347 519803388 /nfs/dbraw/zinc/80/33/88/519803388.db2.gz MXSZSACDEOADIC-LVQVYYBASA-N 1 3 267.461 2.164 10 0 CEAEHO CC(C)[C@@H]1CC[C@H](N)[C@H]([N@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061643347 519803389 /nfs/dbraw/zinc/80/33/89/519803389.db2.gz MXSZSACDEOADIC-LVQVYYBASA-N 1 3 267.461 2.164 10 0 CEAEHO CCCN1CCN(CCCCC[NH2+]C(C)C)CC1 ZINC000052421993 519857798 /nfs/dbraw/zinc/85/77/98/519857798.db2.gz QGLWJHWHACREOC-UHFFFAOYSA-N 1 3 255.450 2.182 10 0 CEAEHO CCCN1CCN([C@@H](C[NH3+])c2ccc(F)cc2C)CC1 ZINC000050578221 519859400 /nfs/dbraw/zinc/85/94/00/519859400.db2.gz LNEADZNDOCFUGI-INIZCTEOSA-N 1 3 279.403 2.162 10 0 CEAEHO CC[NH2+]C(C)(C)C(=O)Nc1ccccc1CN(C)C ZINC000061289935 519908090 /nfs/dbraw/zinc/90/80/90/519908090.db2.gz SSJRDMUZLLIWGR-UHFFFAOYSA-N 1 3 263.385 2.075 10 0 CEAEHO CC[NH2+]CC1(CN(CCOC)[C@@H](C)C2CC2)CCOCC1 ZINC000052183367 519912991 /nfs/dbraw/zinc/91/29/91/519912991.db2.gz AMHWHXNXMBAWDP-HNNXBMFYSA-N 1 3 298.471 2.140 10 0 CEAEHO CCNCC1(C[N@H+](CCOC)[C@@H](C)C2CC2)CCOCC1 ZINC000052183367 519912993 /nfs/dbraw/zinc/91/29/93/519912993.db2.gz AMHWHXNXMBAWDP-HNNXBMFYSA-N 1 3 298.471 2.140 10 0 CEAEHO CCNCC1(C[N@@H+](CCOC)[C@@H](C)C2CC2)CCOCC1 ZINC000052183367 519912995 /nfs/dbraw/zinc/91/29/95/519912995.db2.gz AMHWHXNXMBAWDP-HNNXBMFYSA-N 1 3 298.471 2.140 10 0 CEAEHO CC[NH2+]CCC(=O)Nc1ccccc1CN(CC)CC ZINC000061292843 519918687 /nfs/dbraw/zinc/91/86/87/519918687.db2.gz DQYYMKWAOMTIDV-UHFFFAOYSA-N 1 3 277.412 2.467 10 0 CEAEHO CCC[NH2+]Cc1cnc(N2CCC[C@H]2CN(C)C)s1 ZINC000061655451 519962716 /nfs/dbraw/zinc/96/27/16/519962716.db2.gz CABQQCQEIJLYNX-LBPRGKRZSA-N 1 3 282.457 2.173 10 0 CEAEHO CC[NH2+]Cc1ccccc1CN1CCN(C(C)C)CC1 ZINC000052480147 520005913 /nfs/dbraw/zinc/00/59/13/520005913.db2.gz IDCYQCALXJXKDA-UHFFFAOYSA-N 1 3 275.440 2.322 10 0 CEAEHO CC[NH2+]Cc1ccnc(N2CCN([C@@H](C)CC)CC2)c1 ZINC000055073485 520011464 /nfs/dbraw/zinc/01/14/64/520011464.db2.gz XBMRYGNSDRUHPR-AWEZNQCLSA-N 1 3 276.428 2.112 10 0 CEAEHO CC[NH2+]Cc1occc1CN(C)[C@H]1CCSC1 ZINC000052453275 520030464 /nfs/dbraw/zinc/03/04/64/520030464.db2.gz AGVDTSVCLWALTP-LBPRGKRZSA-N 1 3 254.399 2.326 10 0 CEAEHO CC[NH2+]Cc1occc1CN(CC)[C@H](C)COC ZINC000052504827 520030520 /nfs/dbraw/zinc/03/05/20/520030520.db2.gz ABXHPYHLIDACDP-GFCCVEGCSA-N 1 3 254.374 2.246 10 0 CEAEHO CC[NH2+][C@H]1CCCCC[C@H]1CN1CCN(CC)CC1 ZINC000053860872 520214256 /nfs/dbraw/zinc/21/42/56/520214256.db2.gz XAYGBSCSMOYRRL-HOTGVXAUSA-N 1 3 267.461 2.182 10 0 CEAEHO CCCC[N@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052180922 520398502 /nfs/dbraw/zinc/39/85/02/520398502.db2.gz MANQBBKZSAMSRF-UHFFFAOYSA-N 1 3 254.418 2.267 10 0 CEAEHO CCCC[N@@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052180922 520398508 /nfs/dbraw/zinc/39/85/08/520398508.db2.gz MANQBBKZSAMSRF-UHFFFAOYSA-N 1 3 254.418 2.267 10 0 CEAEHO CCCCN(C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052180922 520398515 /nfs/dbraw/zinc/39/85/15/520398515.db2.gz MANQBBKZSAMSRF-UHFFFAOYSA-N 1 3 254.418 2.267 10 0 CEAEHO CCC[C@H]1CC[C@H](N)[C@H]([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061643451 521212622 /nfs/dbraw/zinc/21/26/22/521212622.db2.gz NRPMUHVPTBLTQJ-XUWVNRHRSA-N 1 3 267.461 2.309 10 0 CEAEHO CCC[C@H]1CC[C@H](N)[C@H]([N@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061643451 521212631 /nfs/dbraw/zinc/21/26/31/521212631.db2.gz NRPMUHVPTBLTQJ-XUWVNRHRSA-N 1 3 267.461 2.309 10 0 CEAEHO CCC(C)(C)[N@H+](C)C[C@]1(CNC2CC2)CCOC1 ZINC000069443607 521303273 /nfs/dbraw/zinc/30/32/73/521303273.db2.gz BKYPRNWGBKNMAQ-OAHLLOKOSA-N 1 3 254.418 2.266 10 0 CEAEHO CCC(C)(C)[N@@H+](C)C[C@]1(CNC2CC2)CCOC1 ZINC000069443607 521303279 /nfs/dbraw/zinc/30/32/79/521303279.db2.gz BKYPRNWGBKNMAQ-OAHLLOKOSA-N 1 3 254.418 2.266 10 0 CEAEHO CCOc1ccccc1[C@H](N)CN1CCC[C@@H]1C[NH+](C)C ZINC000061643518 521588821 /nfs/dbraw/zinc/58/88/21/521588821.db2.gz FXBCHXGUWSWDMG-GDBMZVCRSA-N 1 3 291.439 2.111 10 0 CEAEHO CCC(CC)[C@@H](CNC(=O)[C@@H]1CCCCN1)[NH+]1CCCC1 ZINC000164389846 521604428 /nfs/dbraw/zinc/60/44/28/521604428.db2.gz CLHNRBBBABVWHJ-JKSUJKDBSA-N 1 3 295.471 2.145 10 0 CEAEHO CCC(CC)[C@@H](CNC(=O)[C@@H](N)CC(C)C)[NH+]1CCCC1 ZINC000164395380 521605433 /nfs/dbraw/zinc/60/54/33/521605433.db2.gz IPAQOEIRGQPQDI-JKSUJKDBSA-N 1 3 297.487 2.377 10 0 CEAEHO CCC[N@H+](CC)CC1(CNC2CC2)CCOCC1 ZINC000052181211 521605989 /nfs/dbraw/zinc/60/59/89/521605989.db2.gz DQHOODIRPNKENN-UHFFFAOYSA-N 1 3 254.418 2.267 10 0 CEAEHO CCC[N@@H+](CC)CC1(CNC2CC2)CCOCC1 ZINC000052181211 521605991 /nfs/dbraw/zinc/60/59/91/521605991.db2.gz DQHOODIRPNKENN-UHFFFAOYSA-N 1 3 254.418 2.267 10 0 CEAEHO CCCN(CC)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181211 521605996 /nfs/dbraw/zinc/60/59/96/521605996.db2.gz DQHOODIRPNKENN-UHFFFAOYSA-N 1 3 254.418 2.267 10 0 CEAEHO CCC(CC)[C@H](CNCc1cnc(C)[nH]1)[NH+](C)C ZINC000054821550 521617948 /nfs/dbraw/zinc/61/79/48/521617948.db2.gz IMUYMCGGWBYECJ-AWEZNQCLSA-N 1 3 252.406 2.174 10 0 CEAEHO C[NH+](C)C[C@@H]1CCCN1[C@@H](CN)c1cc2ccccc2o1 ZINC000068811944 521843895 /nfs/dbraw/zinc/84/38/95/521843895.db2.gz RSADQGSJYVXFIO-GJZGRUSLSA-N 1 3 287.407 2.459 10 0 CEAEHO CN(C)C[C@H]1CCCN1CC[NH2+]CC1CCCCC1 ZINC000061655181 521869138 /nfs/dbraw/zinc/86/91/38/521869138.db2.gz OHJMBGWQZKQFCF-MRXNPFEDSA-N 1 3 267.461 2.182 10 0 CEAEHO C[NH2+]Cc1cc(CN(C)[C@H]2CCSC2)oc1C ZINC000052453185 522103258 /nfs/dbraw/zinc/10/32/58/522103258.db2.gz QRMSJOWBUPQUCW-LBPRGKRZSA-N 1 3 254.399 2.245 10 0 CEAEHO C[NH2+]Cc1ccc(CN(C)C[C@@H]2CCCCO2)cc1 ZINC000052507582 522118064 /nfs/dbraw/zinc/11/80/64/522118064.db2.gz DCUSFTMJNQLBBM-INIZCTEOSA-N 1 3 262.397 2.407 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](C[NH3+])c2c(F)cccc2F)CC1 ZINC000055064846 522128982 /nfs/dbraw/zinc/12/89/82/522128982.db2.gz DPMUELFPSOFLGP-DOMZBBRYSA-N 1 3 297.393 2.381 10 0 CEAEHO CC[C@H]([NH3+])[C@@H](c1ccncc1)N1CCN(CC(C)C)CC1 ZINC000055077043 522341247 /nfs/dbraw/zinc/34/12/47/522341247.db2.gz NCSIWUINCAFIKB-DLBZAZTESA-N 1 3 290.455 2.134 10 0 CEAEHO CC[C@H]([C@@H](N)c1ccccc1)[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061643466 522931385 /nfs/dbraw/zinc/93/13/85/522931385.db2.gz HIVDPBNUTJSOBG-ZACQAIPSSA-N 1 3 275.440 2.491 10 0 CEAEHO CC[C@H]([C@@H](N)c1ccccc1)[N@H+]1CCC[C@@H]1CN(C)C ZINC000061643466 522931396 /nfs/dbraw/zinc/93/13/96/522931396.db2.gz HIVDPBNUTJSOBG-ZACQAIPSSA-N 1 3 275.440 2.491 10 0 CEAEHO CC[C@@H]1CC[C@H]([NH2+]C)[C@H](N2CCC[C@@H]2CN(C)C)C1 ZINC000061643430 523369736 /nfs/dbraw/zinc/36/97/36/523369736.db2.gz LJLDEOGESVCHEI-LVQVYYBASA-N 1 3 267.461 2.179 10 0 CEAEHO COCC[N@H+](C1CC1)[C@@H]1C[C@@H](C(C)C)CC[C@@H]1N ZINC000054555504 523642038 /nfs/dbraw/zinc/64/20/38/523642038.db2.gz MRZMUWKNBWEKSJ-AEGPPILISA-N 1 3 254.418 2.249 10 0 CEAEHO COCC[N@@H+](C1CC1)[C@@H]1C[C@@H](C(C)C)CC[C@@H]1N ZINC000054555504 523642045 /nfs/dbraw/zinc/64/20/45/523642045.db2.gz MRZMUWKNBWEKSJ-AEGPPILISA-N 1 3 254.418 2.249 10 0 CEAEHO COCCN(CCOC)Cc1ccccc1C[NH2+]C1CC1 ZINC000052571514 523719518 /nfs/dbraw/zinc/71/95/18/523719518.db2.gz PVUSTNDRZIUISX-UHFFFAOYSA-N 1 3 292.423 2.033 10 0 CEAEHO CC[C@H](C)C[N@H+](C)CCn1cc(CNCC(C)C)nn1 ZINC000052454191 523868843 /nfs/dbraw/zinc/86/88/43/523868843.db2.gz WSTGYNPQYKXIEY-AWEZNQCLSA-N 1 3 281.448 2.002 10 0 CEAEHO CC[C@H](C)C[N@@H+](C)CCn1cc(CNCC(C)C)nn1 ZINC000052454191 523868851 /nfs/dbraw/zinc/86/88/51/523868851.db2.gz WSTGYNPQYKXIEY-AWEZNQCLSA-N 1 3 281.448 2.002 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000055083603 523955048 /nfs/dbraw/zinc/95/50/48/523955048.db2.gz FZPKVPVLUCKWHC-DOTOQJQBSA-N 1 3 275.440 2.277 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@](C)(C[NH3+])c2ccccc2)CC1 ZINC000055072037 523956020 /nfs/dbraw/zinc/95/60/20/523956020.db2.gz KAHGDJSKHJDPFT-WMZOPIPTSA-N 1 3 289.467 2.319 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C[NH3+])c2ccccc2)CC1 ZINC000055063873 523958601 /nfs/dbraw/zinc/95/86/01/523958601.db2.gz YFMAHRMSCHNOMP-HOCLYGCPSA-N 1 3 261.413 2.103 10 0 CEAEHO C[C@H]1CCC[C@@H]([NH2+]CCN2CCC[C@@H]2CN(C)C)C1 ZINC000061655199 524152551 /nfs/dbraw/zinc/15/25/51/524152551.db2.gz ZXKDMKYONVGOPO-ARFHVFGLSA-N 1 3 267.461 2.181 10 0 CEAEHO C[C@H](CC[NH2+]C1CC1)N1CCN(C2CCCC2)CC1 ZINC000052573561 524193913 /nfs/dbraw/zinc/19/39/13/524193913.db2.gz BTBOWXXBRKJAQJ-CQSZACIVSA-N 1 3 265.445 2.077 10 0 CEAEHO C[C@@H](N)c1cc(F)ccc1N1CCC[C@@H]1C[NH+](C)C ZINC000061644792 525024497 /nfs/dbraw/zinc/02/44/97/525024497.db2.gz MBKQBVZKXYRCIB-DGCLKSJQSA-N 1 3 265.376 2.376 10 0 CEAEHO Cc1ccc([C@H]([C@@H](C)[NH3+])N2CCN(CC(C)C)CC2)o1 ZINC000055077056 525978565 /nfs/dbraw/zinc/97/85/65/525978565.db2.gz CHMFKXCVMBFUOS-ZBFHGGJFSA-N 1 3 279.428 2.250 10 0 CEAEHO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccnc(C(=N)N)c1 ZINC000068761626 526255803 /nfs/dbraw/zinc/25/58/03/526255803.db2.gz OJJPPJXEIFUEHY-FZMZJTMJSA-N 1 3 260.385 2.376 10 0 CEAEHO C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccnc(C(=N)N)c1 ZINC000068761626 526255806 /nfs/dbraw/zinc/25/58/06/526255806.db2.gz OJJPPJXEIFUEHY-FZMZJTMJSA-N 1 3 260.385 2.376 10 0 CEAEHO c1csc(CNCCN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000062974514 526581744 /nfs/dbraw/zinc/58/17/44/526581744.db2.gz IYGCRWOVAIYBCA-CQSZACIVSA-N 1 3 279.453 2.008 10 0 CEAEHO NC(=[NH2+])c1cc(Cl)ccc1OCCN1CCCCC1 ZINC000052860379 526820457 /nfs/dbraw/zinc/82/04/57/526820457.db2.gz QWAVGMSQTABMDB-UHFFFAOYSA-N 1 3 281.787 2.489 10 0 CEAEHO CC(C)CN1CCC2(CC1)[NH2+]CCC1(CCC1)O2 ZINC000757150721 574510774 /nfs/dbraw/zinc/51/07/74/574510774.db2.gz RYMWNGXDIRZGNQ-UHFFFAOYSA-N 1 3 252.402 2.367 10 0 CEAEHO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccccc1CN1CCCC1 ZINC000085364721 179035965 /nfs/dbraw/zinc/03/59/65/179035965.db2.gz JGKTWKRVXSSTPH-CABCVRRESA-N 1 3 287.407 2.348 10 0 CEAEHO C([C@@H]1CCCO1)[N@@H+]1CCCNC2(CCCCC2)C1 ZINC000085610451 179100766 /nfs/dbraw/zinc/10/07/66/179100766.db2.gz OFLVFTFIFHUWTJ-AWEZNQCLSA-N 1 3 252.402 2.164 10 0 CEAEHO C([C@@H]1CCCO1)[N@H+]1CCCNC2(CCCCC2)C1 ZINC000085610451 179100768 /nfs/dbraw/zinc/10/07/68/179100768.db2.gz OFLVFTFIFHUWTJ-AWEZNQCLSA-N 1 3 252.402 2.164 10 0 CEAEHO COCCC[N@@H+]1CCCN[C@@H](C2CCCCC2)C1 ZINC000085614947 179104239 /nfs/dbraw/zinc/10/42/39/179104239.db2.gz KPXPYKINBYAWOO-OAHLLOKOSA-N 1 3 254.418 2.267 10 0 CEAEHO COCCC[N@H+]1CCCN[C@@H](C2CCCCC2)C1 ZINC000085614947 179104242 /nfs/dbraw/zinc/10/42/42/179104242.db2.gz KPXPYKINBYAWOO-OAHLLOKOSA-N 1 3 254.418 2.267 10 0 CEAEHO C[C@H]1CC[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CCCO1 ZINC000085623665 179105339 /nfs/dbraw/zinc/10/53/39/179105339.db2.gz YCYSHJBBKDOSIJ-AEGPPILISA-N 1 3 252.402 2.018 10 0 CEAEHO C[C@H]1CCN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085623665 179105340 /nfs/dbraw/zinc/10/53/40/179105340.db2.gz YCYSHJBBKDOSIJ-AEGPPILISA-N 1 3 252.402 2.018 10 0 CEAEHO C[C@H]1CCN[C@@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085623665 179105342 /nfs/dbraw/zinc/10/53/42/179105342.db2.gz YCYSHJBBKDOSIJ-AEGPPILISA-N 1 3 252.402 2.018 10 0 CEAEHO C[C@@H]1CCNC2(CCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085623375 179105408 /nfs/dbraw/zinc/10/54/08/179105408.db2.gz VQEIUJLLVQAQFJ-KGLIPLIRSA-N 1 3 252.402 2.020 10 0 CEAEHO C[C@@H]1CCNC2(CCCC2)C[N@H+]1C[C@@H]1CCOC1 ZINC000085623375 179105409 /nfs/dbraw/zinc/10/54/09/179105409.db2.gz VQEIUJLLVQAQFJ-KGLIPLIRSA-N 1 3 252.402 2.020 10 0 CEAEHO CC(C)[C@@H]1C[N@H+](CC2CCN(C)CC2)[C@@H](C(C)C)CN1 ZINC000086173672 179244823 /nfs/dbraw/zinc/24/48/23/179244823.db2.gz PXNABJGOBWOLQW-DLBZAZTESA-N 1 3 281.488 2.283 10 0 CEAEHO CC(C)[C@@H]1C[N@@H+](CC2CCN(C)CC2)[C@@H](C(C)C)CN1 ZINC000086173672 179244824 /nfs/dbraw/zinc/24/48/24/179244824.db2.gz PXNABJGOBWOLQW-DLBZAZTESA-N 1 3 281.488 2.283 10 0 CEAEHO CCCN1CCC([N@@H+]2C[C@H](CC)NC[C@@H]2CC)CC1 ZINC000086227318 179254689 /nfs/dbraw/zinc/25/46/89/179254689.db2.gz UIEQKJCCQJTNFR-GJZGRUSLSA-N 1 3 267.461 2.323 10 0 CEAEHO CCCN1CCC([N@H+]2C[C@H](CC)NC[C@@H]2CC)CC1 ZINC000086227318 179254692 /nfs/dbraw/zinc/25/46/92/179254692.db2.gz UIEQKJCCQJTNFR-GJZGRUSLSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182535 179247776 /nfs/dbraw/zinc/24/77/76/179247776.db2.gz DHIDTUDNBXPRNN-OAGGEKHMSA-N 1 3 279.472 2.179 10 0 CEAEHO CC[C@@H]1CN[C@H](C(C)(C)C)C[N@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182535 179247778 /nfs/dbraw/zinc/24/77/78/179247778.db2.gz DHIDTUDNBXPRNN-OAGGEKHMSA-N 1 3 279.472 2.179 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(CC)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259241 179257960 /nfs/dbraw/zinc/25/79/60/179257960.db2.gz ZCCCPRRITZEIML-OAGGEKHMSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(CC)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259241 179257962 /nfs/dbraw/zinc/25/79/62/179257962.db2.gz ZCCCPRRITZEIML-OAGGEKHMSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259219 179258253 /nfs/dbraw/zinc/25/82/53/179258253.db2.gz MYPFLPHGAWYLNW-BZUAXINKSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@@H]1CN[C@@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259219 179258254 /nfs/dbraw/zinc/25/82/54/179258254.db2.gz MYPFLPHGAWYLNW-BZUAXINKSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@H]1CNC2(CCCC2)C[N@@H+]1C[C@@H]1CCCCN1C ZINC000086259352 179258426 /nfs/dbraw/zinc/25/84/26/179258426.db2.gz GERDZHUAASHEKD-HOTGVXAUSA-N 1 3 279.472 2.467 10 0 CEAEHO CC[C@H]1CNC2(CCCC2)C[N@H+]1C[C@@H]1CCCCN1C ZINC000086259352 179258428 /nfs/dbraw/zinc/25/84/28/179258428.db2.gz GERDZHUAASHEKD-HOTGVXAUSA-N 1 3 279.472 2.467 10 0 CEAEHO CC[C@H]1CNC2(CCCC2)C[N@@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259640 179259124 /nfs/dbraw/zinc/25/91/24/179259124.db2.gz KHRMSLAAGLMISC-GOEBONIOSA-N 1 3 277.456 2.220 10 0 CEAEHO CC[C@H]1CNC2(CCCC2)C[N@H+]1[C@@H]1CCN(C2CC2)C1 ZINC000086259640 179259125 /nfs/dbraw/zinc/25/91/25/179259125.db2.gz KHRMSLAAGLMISC-GOEBONIOSA-N 1 3 277.456 2.220 10 0 CEAEHO CC[C@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259640 179259126 /nfs/dbraw/zinc/25/91/26/179259126.db2.gz KHRMSLAAGLMISC-GOEBONIOSA-N 1 3 277.456 2.220 10 0 CEAEHO CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259665 179259209 /nfs/dbraw/zinc/25/92/09/179259209.db2.gz ZSWSZPBMDXOXSA-ZMSDIMECSA-N 1 3 279.472 2.322 10 0 CEAEHO CC(C)[C@@H]1CN[C@H](C2CC2)C[N@@H+]1CC1CCN(C)CC1 ZINC000086259018 179257028 /nfs/dbraw/zinc/25/70/28/179257028.db2.gz IYEQVBQQYLOIAR-IRXDYDNUSA-N 1 3 279.472 2.037 10 0 CEAEHO CC(C)[C@@H]1CN[C@H](C2CC2)C[N@H+]1CC1CCN(C)CC1 ZINC000086259018 179257031 /nfs/dbraw/zinc/25/70/31/179257031.db2.gz IYEQVBQQYLOIAR-IRXDYDNUSA-N 1 3 279.472 2.037 10 0 CEAEHO CN(CC1CC[NH+](C)CC1)c1nc2c(s1)CCC[C@@H]2N ZINC000086444110 179293397 /nfs/dbraw/zinc/29/33/97/179293397.db2.gz RJRDEZXHIJHHAL-LBPRGKRZSA-N 1 3 294.468 2.257 10 0 CEAEHO C[N@H+](CCc1cccs1)[C@]1(CN)CCSC1 ZINC000086440822 179293035 /nfs/dbraw/zinc/29/30/35/179293035.db2.gz CVQXQIQXZLWOFZ-LBPRGKRZSA-N 1 3 256.440 2.057 10 0 CEAEHO C[N@@H+](CCc1cccs1)[C@]1(CN)CCSC1 ZINC000086440822 179293036 /nfs/dbraw/zinc/29/30/36/179293036.db2.gz CVQXQIQXZLWOFZ-LBPRGKRZSA-N 1 3 256.440 2.057 10 0 CEAEHO CC(C)C[NH+](CC(C)C)[C@@]1(CN)CCCN(C)CC1 ZINC000086819345 179348317 /nfs/dbraw/zinc/34/83/17/179348317.db2.gz PMVJAMRQDSHAIE-INIZCTEOSA-N 1 3 269.477 2.414 10 0 CEAEHO CC[N@H+](C1CCCC1)[C@]1(CN)CCCN(C)CC1 ZINC000086819294 179348698 /nfs/dbraw/zinc/34/86/98/179348698.db2.gz YQZDXLWKXLVXCG-OAHLLOKOSA-N 1 3 253.434 2.064 10 0 CEAEHO CC[N@@H+](C1CCCC1)[C@]1(CN)CCCN(C)CC1 ZINC000086819294 179348699 /nfs/dbraw/zinc/34/86/99/179348699.db2.gz YQZDXLWKXLVXCG-OAHLLOKOSA-N 1 3 253.434 2.064 10 0 CEAEHO CC(C)N1CCC[C@](CN)([N@@H+]2CCCC2(C)C)CC1 ZINC000086848644 179356129 /nfs/dbraw/zinc/35/61/29/179356129.db2.gz PCUROJWEBJUUQW-INIZCTEOSA-N 1 3 267.461 2.453 10 0 CEAEHO CC(C)N1CCC[C@](CN)([N@H+]2CCCC2(C)C)CC1 ZINC000086848644 179356130 /nfs/dbraw/zinc/35/61/30/179356130.db2.gz PCUROJWEBJUUQW-INIZCTEOSA-N 1 3 267.461 2.453 10 0 CEAEHO CCCCC[N@H+](C)[C@@]1(CN)CCCN(CC)CC1 ZINC000086846893 179357168 /nfs/dbraw/zinc/35/71/68/179357168.db2.gz QNRGLFXFMXGFNB-HNNXBMFYSA-N 1 3 255.450 2.312 10 0 CEAEHO CCCCC[N@@H+](C)[C@@]1(CN)CCCN(CC)CC1 ZINC000086846893 179357170 /nfs/dbraw/zinc/35/71/70/179357170.db2.gz QNRGLFXFMXGFNB-HNNXBMFYSA-N 1 3 255.450 2.312 10 0 CEAEHO CCCN1CCC[C@H]([NH2+]CCc2ccncc2)CC1 ZINC000086840957 179352413 /nfs/dbraw/zinc/35/24/13/179352413.db2.gz JHQMJMUISODJRD-INIZCTEOSA-N 1 3 261.413 2.478 10 0 CEAEHO CCC[N@@H+]1CCC[C@H](NCCc2ccncc2)CC1 ZINC000086840957 179352414 /nfs/dbraw/zinc/35/24/14/179352414.db2.gz JHQMJMUISODJRD-INIZCTEOSA-N 1 3 261.413 2.478 10 0 CEAEHO CCC[N@H+]1CCC[C@H](NCCc2ccncc2)CC1 ZINC000086840957 179352416 /nfs/dbraw/zinc/35/24/16/179352416.db2.gz JHQMJMUISODJRD-INIZCTEOSA-N 1 3 261.413 2.478 10 0 CEAEHO CCN1CCC[C@](CO)([NH2+]Cc2ccccc2)CC1 ZINC000086867915 179360712 /nfs/dbraw/zinc/36/07/12/179360712.db2.gz VTDREBWYDIBKKE-INIZCTEOSA-N 1 3 262.397 2.013 10 0 CEAEHO CCCN1CCC[C@](CN)([N@H+](CC)CC2CC2)CC1 ZINC000086848841 179358715 /nfs/dbraw/zinc/35/87/15/179358715.db2.gz ONIHANUPQONEKL-INIZCTEOSA-N 1 3 267.461 2.312 10 0 CEAEHO CCCN1CCC[C@](CN)([N@@H+](CC)CC2CC2)CC1 ZINC000086848841 179358716 /nfs/dbraw/zinc/35/87/16/179358716.db2.gz ONIHANUPQONEKL-INIZCTEOSA-N 1 3 267.461 2.312 10 0 CEAEHO CCN1CCC[C@@H]([NH2+]CC2(O)CCCCC2)CC1 ZINC000087018110 179380624 /nfs/dbraw/zinc/38/06/24/179380624.db2.gz PPWQCICHAGPNFX-CQSZACIVSA-N 1 3 254.418 2.146 10 0 CEAEHO CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)N(C)CCN(C)C ZINC000104191000 185923277 /nfs/dbraw/zinc/92/32/77/185923277.db2.gz JYQOWBMBTXHNJZ-TZMCWYRMSA-N 1 3 269.458 2.328 10 0 CEAEHO CC[NH2+]C[C@]1(CN2CCC(CO)CC2)CCC[C@@H](C)C1 ZINC000089612837 179829818 /nfs/dbraw/zinc/82/98/18/179829818.db2.gz XFJIYHFCMIRCJS-WBVHZDCISA-N 1 3 282.472 2.497 10 0 CEAEHO CCN[C@@H]1COC[C@H]1C[N@H+](C)[C@@H](C)c1cccs1 ZINC000090494158 179992635 /nfs/dbraw/zinc/99/26/35/179992635.db2.gz KMEAXMNQIYCUCR-YNEHKIRRSA-N 1 3 268.426 2.365 10 0 CEAEHO CCN[C@@H]1COC[C@H]1C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000090494158 179992636 /nfs/dbraw/zinc/99/26/36/179992636.db2.gz KMEAXMNQIYCUCR-YNEHKIRRSA-N 1 3 268.426 2.365 10 0 CEAEHO C[C@@H](C(=O)Nc1ccccc1)N(C)CCC1CC[NH2+]CC1 ZINC000090694026 180025887 /nfs/dbraw/zinc/02/58/87/180025887.db2.gz TVQGXFAVXUGORK-AWEZNQCLSA-N 1 3 289.423 2.335 10 0 CEAEHO [NH3+]CCC1CCN(C[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090893500 180055286 /nfs/dbraw/zinc/05/52/86/180055286.db2.gz RSVHGYDUKLKUCR-HNNXBMFYSA-N 1 3 278.371 2.190 10 0 CEAEHO CC(C)(C)[NH2+]CCCCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907863 180061894 /nfs/dbraw/zinc/06/18/94/180061894.db2.gz ISLTYJCPVHABJM-OKILXGFUSA-N 1 3 254.418 2.408 10 0 CEAEHO C[N@H+](CC[C@@H]1CNCCO1)Cc1cccc(Cl)c1 ZINC000091313752 180132657 /nfs/dbraw/zinc/13/26/57/180132657.db2.gz KPVJVCUWSARXQT-CQSZACIVSA-N 1 3 268.788 2.150 10 0 CEAEHO C[N@@H+](CC[C@@H]1CNCCO1)Cc1cccc(Cl)c1 ZINC000091313752 180132659 /nfs/dbraw/zinc/13/26/59/180132659.db2.gz KPVJVCUWSARXQT-CQSZACIVSA-N 1 3 268.788 2.150 10 0 CEAEHO C[N@H+](CC[C@@H]1CNCCO1)Cc1ccc(Cl)cc1 ZINC000091313761 180132682 /nfs/dbraw/zinc/13/26/82/180132682.db2.gz LRMJLRGBCQTUOM-CQSZACIVSA-N 1 3 268.788 2.150 10 0 CEAEHO C[N@@H+](CC[C@@H]1CNCCO1)Cc1ccc(Cl)cc1 ZINC000091313761 180132683 /nfs/dbraw/zinc/13/26/83/180132683.db2.gz LRMJLRGBCQTUOM-CQSZACIVSA-N 1 3 268.788 2.150 10 0 CEAEHO CN(CC[C@@H]1C[NH2+]CCO1)Cc1ccccc1Cl ZINC000091313756 180132696 /nfs/dbraw/zinc/13/26/96/180132696.db2.gz UHQJKSGJTNXXLI-CYBMUJFWSA-N 1 3 268.788 2.150 10 0 CEAEHO CC(C)C[NH2+]Cc1cnn(CCN(C)C)c1C(F)(F)F ZINC000091338554 180136601 /nfs/dbraw/zinc/13/66/01/180136601.db2.gz GYANNFRFTJXULW-UHFFFAOYSA-N 1 3 292.349 2.209 10 0 CEAEHO CCCN(CCN(C)C)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360928 180141254 /nfs/dbraw/zinc/14/12/54/180141254.db2.gz FMAQKVYPRXZTFJ-PMPSAXMXSA-N 1 3 295.471 2.097 10 0 CEAEHO COc1cccc(C[N@H+](C)CC[C@@H]2CSCCN2)c1 ZINC000091292075 180123902 /nfs/dbraw/zinc/12/39/02/180123902.db2.gz FRMDVKLROCXSAL-CQSZACIVSA-N 1 3 280.437 2.222 10 0 CEAEHO COc1cccc(C[N@@H+](C)CC[C@@H]2CSCCN2)c1 ZINC000091292075 180123906 /nfs/dbraw/zinc/12/39/06/180123906.db2.gz FRMDVKLROCXSAL-CQSZACIVSA-N 1 3 280.437 2.222 10 0 CEAEHO CC[C@@H]1CCCC[C@@]1(CN)[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091392280 180144608 /nfs/dbraw/zinc/14/46/08/180144608.db2.gz WDULQNQABZSKQC-PMPSAXMXSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@@H]1CCCC[C@@]1(CN)[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091392280 180144610 /nfs/dbraw/zinc/14/46/10/180144610.db2.gz WDULQNQABZSKQC-PMPSAXMXSA-N 1 3 267.461 2.310 10 0 CEAEHO C[NH2+][C@@H](C)C(C)(C)CN1CCN(C(C)(C)C)CC1 ZINC000091404189 180147275 /nfs/dbraw/zinc/14/72/75/180147275.db2.gz DBFBGEUXOKXKQE-ZDUSSCGKSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[NH2+][C@@H](C)C(C)(C)CN1CCN(C(C)(C)C)CC1 ZINC000091404186 180147408 /nfs/dbraw/zinc/14/74/08/180147408.db2.gz YFPIRWSHGFVZFZ-AWEZNQCLSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[NH2+][C@H](C)C(C)(C)CN1CCN(CC(C)C)CC1 ZINC000091404678 180147449 /nfs/dbraw/zinc/14/74/49/180147449.db2.gz DQZHLLYHTNONDP-OAHLLOKOSA-N 1 3 269.477 2.284 10 0 CEAEHO Nc1ccncc1C[C@@H](O)C1([NH+]2CCCCC2)CCCC1 ZINC000091641645 180213333 /nfs/dbraw/zinc/21/33/33/180213333.db2.gz RHCWLMSSBLACMD-MRXNPFEDSA-N 1 3 289.423 2.366 10 0 CEAEHO Cc1ccc([C@H](CN)N2CCC([NH+](C)C)CC2)cc1F ZINC000110977157 186339279 /nfs/dbraw/zinc/33/92/79/186339279.db2.gz PTHNPAWSHPUSED-INIZCTEOSA-N 1 3 279.403 2.160 10 0 CEAEHO C[C@@H]([NH3+])[C@@H](c1ccccc1)N1CCN(C)C(C)(C)C1 ZINC000110704882 186314368 /nfs/dbraw/zinc/31/43/68/186314368.db2.gz HEQGVQNTZNOXFU-HIFRSBDPSA-N 1 3 261.413 2.101 10 0 CEAEHO COc1ccc([C@@H]([C@@H](C)[NH3+])N2CCN(C)C(C)(C)C2)cc1 ZINC000110704711 186314684 /nfs/dbraw/zinc/31/46/84/186314684.db2.gz VDKHMLKETKHVBN-CZUORRHYSA-N 1 3 291.439 2.110 10 0 CEAEHO CCN1CCN([C@@H](C[NH3+])c2cc(C)ccc2C)C[C@@H]1C ZINC000110708584 186314890 /nfs/dbraw/zinc/31/48/90/186314890.db2.gz SNQUJUNTJIZHLG-RDJZCZTQSA-N 1 3 275.440 2.329 10 0 CEAEHO CCOc1cccc([C@H](C[NH3+])N2CCN(C)C(C)(C)C2)c1 ZINC000110711625 186315358 /nfs/dbraw/zinc/31/53/58/186315358.db2.gz VNRXJGJVIBSQHT-INIZCTEOSA-N 1 3 291.439 2.111 10 0 CEAEHO CC[C@H]1CN([C@@H]2CCCCCC[C@@H]2[NH2+]C)CCN1C ZINC000110716108 186316078 /nfs/dbraw/zinc/31/60/78/186316078.db2.gz KCPLTJZELKCTLE-HRCADAONSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@](C)(C[NH2+]C1CC1)CN1CCN(C)C(C)(C)C1 ZINC000110747280 186322141 /nfs/dbraw/zinc/32/21/41/186322141.db2.gz ZXAONFYHUHRNDX-MRXNPFEDSA-N 1 3 267.461 2.181 10 0 CEAEHO CN(C)CCN(C)[C@H](C[NH3+])c1cccc2ccccc21 ZINC000111132871 186356400 /nfs/dbraw/zinc/35/64/00/186356400.db2.gz NVYFIRMJMIQOMH-QGZVFWFLSA-N 1 3 271.408 2.333 10 0 CEAEHO C[C@@H]1C[C@@H]1c1ccc([C@@H](CN)N(C)CCC[NH+](C)C)o1 ZINC000111133913 186356436 /nfs/dbraw/zinc/35/64/36/186356436.db2.gz UULGLRFQEOWTQM-HZSPNIEDSA-N 1 3 279.428 2.286 10 0 CEAEHO CCCc1ccc([C@H](CN(C)CCN(C)C)[NH2+]C)cc1 ZINC000111134893 186357808 /nfs/dbraw/zinc/35/78/08/186357808.db2.gz UALHHFIOZNFBDS-KRWDZBQOSA-N 1 3 277.456 2.393 10 0 CEAEHO CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CN(C)CCN(C)C ZINC000111147109 186358467 /nfs/dbraw/zinc/35/84/67/186358467.db2.gz UDMPNUNFSJONOF-ARFHVFGLSA-N 1 3 269.477 2.284 10 0 CEAEHO CC[C@]1(C[N@H+](C)C[C@@H]2CCCOC2)CCCNC1 ZINC000111179159 186366881 /nfs/dbraw/zinc/36/68/81/186366881.db2.gz AVKLWFSGRAVHSO-GJZGRUSLSA-N 1 3 254.418 2.125 10 0 CEAEHO CC[C@]1(C[N@@H+](C)C[C@@H]2CCCOC2)CCCNC1 ZINC000111179159 186366882 /nfs/dbraw/zinc/36/68/82/186366882.db2.gz AVKLWFSGRAVHSO-GJZGRUSLSA-N 1 3 254.418 2.125 10 0 CEAEHO CC[C@]1(CN(C)C[C@@H]2CCCOC2)CCC[NH2+]C1 ZINC000111179159 186366884 /nfs/dbraw/zinc/36/68/84/186366884.db2.gz AVKLWFSGRAVHSO-GJZGRUSLSA-N 1 3 254.418 2.125 10 0 CEAEHO CCCCN(C[C@]1(C[NH2+]C)CCCOC1)C1CC1 ZINC000111326635 186398590 /nfs/dbraw/zinc/39/85/90/186398590.db2.gz JTSHURCSODDBGY-OAHLLOKOSA-N 1 3 254.418 2.267 10 0 CEAEHO CCCC[N@H+](C[C@]1(CNC)CCCOC1)C1CC1 ZINC000111326635 186398592 /nfs/dbraw/zinc/39/85/92/186398592.db2.gz JTSHURCSODDBGY-OAHLLOKOSA-N 1 3 254.418 2.267 10 0 CEAEHO CCCC[N@@H+](C[C@]1(CNC)CCCOC1)C1CC1 ZINC000111326635 186398593 /nfs/dbraw/zinc/39/85/93/186398593.db2.gz JTSHURCSODDBGY-OAHLLOKOSA-N 1 3 254.418 2.267 10 0 CEAEHO CCC1CCN(C[C@]2(C[NH2+]C)CCCOC2)CC1 ZINC000111328391 186399625 /nfs/dbraw/zinc/39/96/25/186399625.db2.gz WOYFUUYSTWMGQF-OAHLLOKOSA-N 1 3 254.418 2.125 10 0 CEAEHO CCC1CC[NH+](C[C@]2(CNC)CCCOC2)CC1 ZINC000111328391 186399627 /nfs/dbraw/zinc/39/96/27/186399627.db2.gz WOYFUUYSTWMGQF-OAHLLOKOSA-N 1 3 254.418 2.125 10 0 CEAEHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCC[C@@H](O)C1 ZINC000251253756 539972724 /nfs/dbraw/zinc/97/27/24/539972724.db2.gz UWTPUWTWEDSHBP-CBBWQLFWSA-N 1 3 254.418 2.190 10 0 CEAEHO CN(C)C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000222903710 540523950 /nfs/dbraw/zinc/52/39/50/540523950.db2.gz MDNJWIBKNIPSJV-PMPSAXMXSA-N 1 3 261.413 2.149 10 0 CEAEHO CCC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)N(C)C ZINC000162616810 367174273 /nfs/dbraw/zinc/17/42/73/367174273.db2.gz PRYDOPYTDAMHAJ-CVEARBPZSA-N 1 3 297.487 2.201 10 0 CEAEHO CCC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)N(C)C ZINC000162616810 367174275 /nfs/dbraw/zinc/17/42/75/367174275.db2.gz PRYDOPYTDAMHAJ-CVEARBPZSA-N 1 3 297.487 2.201 10 0 CEAEHO CCC[C@@H](N)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000246513176 370971375 /nfs/dbraw/zinc/97/13/75/370971375.db2.gz QQTDSRSFUXGIOQ-ZIAGYGMSSA-N 1 3 283.460 2.131 10 0 CEAEHO CCC[C@@H](N)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000246513176 370971383 /nfs/dbraw/zinc/97/13/83/370971383.db2.gz QQTDSRSFUXGIOQ-ZIAGYGMSSA-N 1 3 283.460 2.131 10 0 CEAEHO CC(C)O[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000248809044 371247981 /nfs/dbraw/zinc/24/79/81/371247981.db2.gz KJZAXTYXQYOLTI-BZUAXINKSA-N 1 3 298.471 2.015 10 0 CEAEHO C[C@@H]1[C@@H](N[C@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000261549256 371643681 /nfs/dbraw/zinc/64/36/81/371643681.db2.gz OKYAYGMRFVEIPI-NJAFHUGGSA-N 1 3 287.451 2.381 10 0 CEAEHO COc1cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1C ZINC000262003789 371797991 /nfs/dbraw/zinc/79/79/91/371797991.db2.gz UKEYCQTYCHSDNV-ZNMIVQPWSA-N 1 3 260.381 2.173 10 0 CEAEHO C[C@H](NCCc1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000400337933 375372050 /nfs/dbraw/zinc/37/20/50/375372050.db2.gz FUNRAODCRWODHV-AAEUAGOBSA-N 1 3 252.789 2.470 10 0 CEAEHO CCN(CC)CCN1C(=[NH2+])NC[C@@H]1c1ccc(F)cc1C ZINC000093382384 184670120 /nfs/dbraw/zinc/67/01/20/184670120.db2.gz PQZWSPUSZGTALY-OAHLLOKOSA-N 1 3 292.402 2.147 10 0 CEAEHO c1ccc2c(c1)nccc2N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261612414 285526228 /nfs/dbraw/zinc/52/62/28/285526228.db2.gz SPQMTWKCVZTQGD-GXTWGEPZSA-N 1 3 253.349 2.423 10 0 CEAEHO C[C@H](N)c1c(F)cccc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000091395283 135069077 /nfs/dbraw/zinc/06/90/77/135069077.db2.gz DLBSHIHXCHYDAD-NWDGAFQWSA-N 1 3 265.376 2.376 10 0 CEAEHO CC[NH2+]Cc1cccnc1N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000094443292 135088693 /nfs/dbraw/zinc/08/86/93/135088693.db2.gz GXUIRCXJSCIMRK-HOCLYGCPSA-N 1 3 288.439 2.254 10 0 CEAEHO COc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1C ZINC000261595552 394603348 /nfs/dbraw/zinc/60/33/48/394603348.db2.gz OGWXFPJXXIFMDJ-KKUMJFAQSA-N 1 3 260.381 2.173 10 0 CEAEHO CCN(CCC(C)(C)C(=O)OC)[C@H]1CCC[NH2+]CC1 ZINC000262052807 394612214 /nfs/dbraw/zinc/61/22/14/394612214.db2.gz ZWIQRJHCCUUMFC-ZDUSSCGKSA-N 1 3 270.417 2.040 10 0 CEAEHO CC[N@H+](CCC(C)(C)C(=O)OC)[C@H]1CCCNCC1 ZINC000262052807 394612217 /nfs/dbraw/zinc/61/22/17/394612217.db2.gz ZWIQRJHCCUUMFC-ZDUSSCGKSA-N 1 3 270.417 2.040 10 0 CEAEHO CC[N@@H+](CCC(C)(C)C(=O)OC)[C@H]1CCCNCC1 ZINC000262052807 394612219 /nfs/dbraw/zinc/61/22/19/394612219.db2.gz ZWIQRJHCCUUMFC-ZDUSSCGKSA-N 1 3 270.417 2.040 10 0 CEAEHO C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC[C@@H]2C[NH2+]C[C@@H]2O)C1 ZINC000263314928 394628106 /nfs/dbraw/zinc/62/81/06/394628106.db2.gz ZIOGZXDSOPPPCL-ITWBUVANSA-N 1 3 288.435 2.129 10 0 CEAEHO C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(CN)c2)C1 ZINC000022155006 171362145 /nfs/dbraw/zinc/36/21/45/171362145.db2.gz JVEOCAVKCFKMOW-CYBMUJFWSA-N 1 3 275.396 2.206 10 0 CEAEHO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(CN)c2)C1 ZINC000022155006 171362146 /nfs/dbraw/zinc/36/21/46/171362146.db2.gz JVEOCAVKCFKMOW-CYBMUJFWSA-N 1 3 275.396 2.206 10 0 CEAEHO C[C@@H]1CCCC[N@@H+]1CCCNC[C@@H]1CCCCO1 ZINC000035151382 172014271 /nfs/dbraw/zinc/01/42/71/172014271.db2.gz CJOWRLLFGCOLSW-CABCVRRESA-N 1 3 254.418 2.410 10 0 CEAEHO C[C@@H]1CCCC[N@H+]1CCCNC[C@@H]1CCCCO1 ZINC000035151382 172014273 /nfs/dbraw/zinc/01/42/73/172014273.db2.gz CJOWRLLFGCOLSW-CABCVRRESA-N 1 3 254.418 2.410 10 0 CEAEHO C[C@@H]1CCCCN1CCC[NH2+]C[C@@H]1CCCCO1 ZINC000035151382 172014276 /nfs/dbraw/zinc/01/42/76/172014276.db2.gz CJOWRLLFGCOLSW-CABCVRRESA-N 1 3 254.418 2.410 10 0 CEAEHO C[NH+](C)C1CCN([C@@H](CN)c2ccc(Cl)s2)CC1 ZINC000036191621 172503107 /nfs/dbraw/zinc/50/31/07/172503107.db2.gz OALQPWUKFOXMBN-NSHDSACASA-N 1 3 287.860 2.427 10 0 CEAEHO CN1CC[C@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000037484571 173228804 /nfs/dbraw/zinc/22/88/04/173228804.db2.gz GDJRVYWHYKQUGO-GFCCVEGCSA-N 1 3 283.213 2.490 10 0 CEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CCC(C)(C)[NH3+] ZINC000309722890 414855452 /nfs/dbraw/zinc/85/54/52/414855452.db2.gz MRICSADMSQYCMY-CQSZACIVSA-N 1 3 291.439 2.141 10 0 CEAEHO C[NH2+][C@@H](c1ccccc1)[C@@H](C)N(C)C1CCN(C)CC1 ZINC000043815180 175111723 /nfs/dbraw/zinc/11/17/23/175111723.db2.gz IQMZTSQJCNJAAH-RHSMWYFYSA-N 1 3 275.440 2.362 10 0 CEAEHO CC[NH2+][C@@H]1CCCCCC[C@H]1N1CCCN(C)CC1 ZINC000043818347 175113386 /nfs/dbraw/zinc/11/33/86/175113386.db2.gz HZUPZQCOKAWVJQ-HZPDHXFCSA-N 1 3 267.461 2.325 10 0 CEAEHO C[C@@H](CNC1=[NH+]C[C@@H](c2ccccc2)S1)N(C)C ZINC000045108733 175308721 /nfs/dbraw/zinc/30/87/21/175308721.db2.gz DJOGOWISPFTNJH-AAEUAGOBSA-N 1 3 263.410 2.370 10 0 CEAEHO CC[NH2+][C@H](C)c1ccc(NC(=O)NC[C@@H](C)N(C)C)cc1 ZINC000045113975 175310934 /nfs/dbraw/zinc/31/09/34/175310934.db2.gz CQHJEGSYLSVBRN-CHWSQXEVSA-N 1 3 292.427 2.429 10 0 CEAEHO CC(C)[N@@H+]1CC[C@H](CNC2=NC(C)(C)CS2)C1 ZINC000045136108 175313534 /nfs/dbraw/zinc/31/35/34/175313534.db2.gz FSXBZJYJDFVNQU-LLVKDONJSA-N 1 3 255.431 2.188 10 0 CEAEHO CC(C)[N@H+]1CC[C@H](CNC2=NC(C)(C)CS2)C1 ZINC000045136108 175313535 /nfs/dbraw/zinc/31/35/35/175313535.db2.gz FSXBZJYJDFVNQU-LLVKDONJSA-N 1 3 255.431 2.188 10 0 CEAEHO C[NH2+]C[C@H]1CCN([C@@H](C)CCc2ccc3c(c2)OCO3)C1 ZINC000071141851 176040454 /nfs/dbraw/zinc/04/04/54/176040454.db2.gz DXVPJNYTSGCYDS-DZGCQCFKSA-N 1 3 290.407 2.278 10 0 CEAEHO Cc1ccc([C@H](O)C[N@@H+](C)C[C@@H]2CCN(C)C2)c(C)c1 ZINC000071190693 176068609 /nfs/dbraw/zinc/06/86/09/176068609.db2.gz VMXZEQDYKMDDTJ-NVXWUHKLSA-N 1 3 276.424 2.220 10 0 CEAEHO Cc1ccc([C@H](O)C[N@H+](C)C[C@@H]2CCN(C)C2)c(C)c1 ZINC000071190693 176068610 /nfs/dbraw/zinc/06/86/10/176068610.db2.gz VMXZEQDYKMDDTJ-NVXWUHKLSA-N 1 3 276.424 2.220 10 0 CEAEHO Cc1cc(CN(C)C[C@H]2CC[N@H+](C)C2)oc1CNC(C)C ZINC000071192039 176071072 /nfs/dbraw/zinc/07/10/72/176071072.db2.gz YLIRQFIAYMTOEI-HNNXBMFYSA-N 1 3 293.455 2.470 10 0 CEAEHO Cc1cc(CN(C)C[C@H]2CC[N@@H+](C)C2)oc1CNC(C)C ZINC000071192039 176071073 /nfs/dbraw/zinc/07/10/73/176071073.db2.gz YLIRQFIAYMTOEI-HNNXBMFYSA-N 1 3 293.455 2.470 10 0 CEAEHO CC(C)NCc1coc(CN(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071191828 176071396 /nfs/dbraw/zinc/07/13/96/176071396.db2.gz DHLFXXQPZYNNEE-CQSZACIVSA-N 1 3 279.428 2.161 10 0 CEAEHO CC(C)NCc1coc(CN(C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000071191828 176071397 /nfs/dbraw/zinc/07/13/97/176071397.db2.gz DHLFXXQPZYNNEE-CQSZACIVSA-N 1 3 279.428 2.161 10 0 CEAEHO CN1CC[C@@H](C[N@H+](C)CCNc2ccccc2F)C1 ZINC000071192289 176073326 /nfs/dbraw/zinc/07/33/26/176073326.db2.gz WXJYIKWLUMXNEE-CYBMUJFWSA-N 1 3 265.376 2.121 10 0 CEAEHO CN1CC[C@@H](C[N@@H+](C)CCNc2ccccc2F)C1 ZINC000071192289 176073328 /nfs/dbraw/zinc/07/33/28/176073328.db2.gz WXJYIKWLUMXNEE-CYBMUJFWSA-N 1 3 265.376 2.121 10 0 CEAEHO CCC[NH2+][C@@H]1CCCN([C@@H](CN(C)C)C(C)C)C1 ZINC000071200836 176077799 /nfs/dbraw/zinc/07/77/99/176077799.db2.gz BMEVEMFSEJWZIK-CABCVRRESA-N 1 3 255.450 2.037 10 0 CEAEHO CCCC[C@@H](CC)CN(CCOC)CCC(N)=[NH2+] ZINC000071229032 176091356 /nfs/dbraw/zinc/09/13/56/176091356.db2.gz KUHQGWZRETZIFH-CYBMUJFWSA-N 1 3 257.422 2.477 10 0 CEAEHO CC(C)C[C@H](CO)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251406257 279174042 /nfs/dbraw/zinc/17/40/42/279174042.db2.gz MWMDYRPADANDEL-RRFJBIMHSA-N 1 3 256.434 2.294 10 0 CEAEHO CC1(C)CN(CCCOCC(F)(F)F)CC[C@H]1[NH3+] ZINC000310683430 281236159 /nfs/dbraw/zinc/23/61/59/281236159.db2.gz SVZGMMQIMOSXSJ-SNVBAGLBSA-N 1 3 268.323 2.015 10 0 CEAEHO CC1(C)C[N@H+](CCCOCC(F)(F)F)CC[C@H]1N ZINC000310683430 281236161 /nfs/dbraw/zinc/23/61/61/281236161.db2.gz SVZGMMQIMOSXSJ-SNVBAGLBSA-N 1 3 268.323 2.015 10 0 CEAEHO CC1(C)C[N@@H+](CCCOCC(F)(F)F)CC[C@H]1N ZINC000310683430 281236164 /nfs/dbraw/zinc/23/61/64/281236164.db2.gz SVZGMMQIMOSXSJ-SNVBAGLBSA-N 1 3 268.323 2.015 10 0 CEAEHO COc1ccccc1OCCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000564824040 298850651 /nfs/dbraw/zinc/85/06/51/298850651.db2.gz RHQIGCUBWHCDRX-KBPBESRZSA-N 1 3 278.396 2.052 10 0 CEAEHO C[C@H](CN[C@H](C)[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000567343982 299054997 /nfs/dbraw/zinc/05/49/97/299054997.db2.gz MPPIYNGPLNFLSP-UTUOFQBUSA-N 1 3 253.415 2.224 10 0 CEAEHO Cc1cccnc1CCC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000566088896 313848676 /nfs/dbraw/zinc/84/86/76/313848676.db2.gz JSIOXWFWBBWNNB-CABCVRRESA-N 1 3 261.413 2.300 10 0 CEAEHO CC(C)CN1CCN([C@@H](C)C[NH2+]C2CCCC2)CC1 ZINC000055075633 519727616 /nfs/dbraw/zinc/72/76/16/519727616.db2.gz BMVRPWFYAWCBIL-HNNXBMFYSA-N 1 3 267.461 2.181 10 0 CEAEHO CC(C)C[NH2+]CCC[C@@H](C)N1CCN(C(C)C)CC1 ZINC000052480099 519743772 /nfs/dbraw/zinc/74/37/72/519743772.db2.gz RSMISRDHJDCELM-MRXNPFEDSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[NH2+]C[C@H](C(C)C)N1CCN(C2CCCC2)CC1 ZINC000052573429 519958386 /nfs/dbraw/zinc/95/83/86/519958386.db2.gz FNHQHTUXSZAXDL-MRXNPFEDSA-N 1 3 267.461 2.181 10 0 CEAEHO CCCC[N@H+](CC)CCn1cc(CNCC(C)C)nn1 ZINC000052418782 520480151 /nfs/dbraw/zinc/48/01/51/520480151.db2.gz VQVQWUDTCTYKQJ-UHFFFAOYSA-N 1 3 281.448 2.146 10 0 CEAEHO CCCC[N@@H+](CC)CCn1cc(CNCC(C)C)nn1 ZINC000052418782 520480159 /nfs/dbraw/zinc/48/01/59/520480159.db2.gz VQVQWUDTCTYKQJ-UHFFFAOYSA-N 1 3 281.448 2.146 10 0 CEAEHO CCO[C@H](CN)C[N@H+](Cc1cccs1)C(C)C ZINC000062739735 520517981 /nfs/dbraw/zinc/51/79/81/520517981.db2.gz AEFYOCPGKRWJJF-GFCCVEGCSA-N 1 3 256.415 2.322 10 0 CEAEHO CCO[C@H](CN)C[N@@H+](Cc1cccs1)C(C)C ZINC000062739735 520517986 /nfs/dbraw/zinc/51/79/86/520517986.db2.gz AEFYOCPGKRWJJF-GFCCVEGCSA-N 1 3 256.415 2.322 10 0 CEAEHO CC(C)(C)[NH2+]C[C@@H]1CC[C@H](COCCN2CCCC2)O1 ZINC000052670482 518760507 /nfs/dbraw/zinc/76/05/07/518760507.db2.gz UYALFMCSUZCYPT-LSDHHAIUSA-N 1 3 284.444 2.035 10 0 CEAEHO CC(C)NCc1ccc(COCCC[NH+](C)C)o1 ZINC000052672363 519726649 /nfs/dbraw/zinc/72/66/49/519726649.db2.gz ABGFJWJTDGTCHI-UHFFFAOYSA-N 1 3 254.374 2.246 10 0 CEAEHO CC(C)NCc1coc(COCCC[NH+](C)C)c1 ZINC000052672544 519729168 /nfs/dbraw/zinc/72/91/68/519729168.db2.gz MGMJFHFSVUFWHN-UHFFFAOYSA-N 1 3 254.374 2.246 10 0 CEAEHO CC(C)C[NH2+]C[C@H](C)N1CCN(C2CCCC2)CC1 ZINC000052573458 519745808 /nfs/dbraw/zinc/74/58/08/519745808.db2.gz DEIQFDAXLYIREJ-HNNXBMFYSA-N 1 3 267.461 2.181 10 0 CEAEHO CC(C)[C@@H](C[NH2+]C(C)(C)C)N(C)C1CCN(C)CC1 ZINC000052419753 519794878 /nfs/dbraw/zinc/79/48/78/519794878.db2.gz KONFRXQRQLEDOC-OAHLLOKOSA-N 1 3 269.477 2.425 10 0 CEAEHO CCCN1CCN([C@H](C[NH2+]CC)c2ccccc2)CC1 ZINC000052422097 519859482 /nfs/dbraw/zinc/85/94/82/519859482.db2.gz VSHKJWDPJPGRJX-QGZVFWFLSA-N 1 3 275.440 2.365 10 0 CEAEHO CCCN1CCN([C@@H](C)CC[NH2+]C(C)(C)C)CC1 ZINC000052422125 519859829 /nfs/dbraw/zinc/85/98/29/519859829.db2.gz FSGWYDDFVUCXLF-AWEZNQCLSA-N 1 3 255.450 2.181 10 0 CEAEHO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1CCN(C2CC2)C1 ZINC000054602570 519909740 /nfs/dbraw/zinc/90/97/40/519909740.db2.gz RXGAYJGMOPAVIO-CVGRLMLNSA-N 1 3 277.456 2.218 10 0 CEAEHO CC[NH2+]CCCCN1CCN(c2ccccc2OC)CC1 ZINC000052422903 519919247 /nfs/dbraw/zinc/91/92/47/519919247.db2.gz JOSXSUANVRGCSD-UHFFFAOYSA-N 1 3 291.439 2.207 10 0 CEAEHO CC[NH2+]C[C@@H](C)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000061702360 519944147 /nfs/dbraw/zinc/94/41/47/519944147.db2.gz OHPLHADTFMHFRM-GDBMZVCRSA-N 1 3 262.397 2.276 10 0 CEAEHO CC[NH2+]C[C@H](C(C)C)N1CCN([C@H](C)CC)CC1 ZINC000055074821 519958312 /nfs/dbraw/zinc/95/83/12/519958312.db2.gz ORGUSVYNTSNMCA-HUUCEWRRSA-N 1 3 255.450 2.037 10 0 CEAEHO CCNCc1cc(CN2CCC[C@H]2C[NH+](C)C)c(C)o1 ZINC000061654530 519988093 /nfs/dbraw/zinc/98/80/93/519988093.db2.gz HMLZLMGTLXHHQJ-HNNXBMFYSA-N 1 3 279.428 2.224 10 0 CEAEHO CCC[NH2+][C@H](CN(CCC)CCN(C)C)C1CC1 ZINC000069074699 520082119 /nfs/dbraw/zinc/08/21/19/520082119.db2.gz TVVUFOBCEYKAJV-OAHLLOKOSA-N 1 3 255.450 2.038 10 0 CEAEHO CC[NH2+][C@@H]1CCC[C@H]1CN1CCN(CC(C)C)CC1 ZINC000055081860 520118350 /nfs/dbraw/zinc/11/83/50/520118350.db2.gz GNTBBKYIAGSTPL-JKSUJKDBSA-N 1 3 267.461 2.038 10 0 CEAEHO CC[NH2+][C@H]1CCC[C@@H]1CN1CCN([C@@H](C)CC)CC1 ZINC000055072255 520213224 /nfs/dbraw/zinc/21/32/24/520213224.db2.gz MFBFREPHGNQKHT-XHSDSOJGSA-N 1 3 267.461 2.181 10 0 CEAEHO CCC[C@H](C)[C@@H](C[NH3+])N1CCN(CC(C)C)CC1 ZINC000055078073 521064392 /nfs/dbraw/zinc/06/43/92/521064392.db2.gz PGUNHWJMSPAJNV-LSDHHAIUSA-N 1 3 255.450 2.024 10 0 CEAEHO CCN(Cc1cc(C[NH2+]C)c(C)o1)[C@H](C)COC ZINC000052504774 521290602 /nfs/dbraw/zinc/29/06/02/521290602.db2.gz VIRRHLHKSRGJSX-LLVKDONJSA-N 1 3 254.374 2.164 10 0 CEAEHO CCC(CC)(CNC)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052763387 521438895 /nfs/dbraw/zinc/43/88/95/521438895.db2.gz KSLQULLVRDEPIO-CQSZACIVSA-N 1 3 256.434 2.249 10 0 CEAEHO CCC(CC)(CNC)C[N@H+]1CCC[C@@H]1CCCO ZINC000052763387 521438902 /nfs/dbraw/zinc/43/89/02/521438902.db2.gz KSLQULLVRDEPIO-CQSZACIVSA-N 1 3 256.434 2.249 10 0 CEAEHO CCCc1nc(N(C)[C@H]2CCCN(C)C2)sc1C[NH3+] ZINC000054998280 521529888 /nfs/dbraw/zinc/52/98/88/521529888.db2.gz UXAKHKBJBGITDQ-NSHDSACASA-N 1 3 282.457 2.085 10 0 CEAEHO CCN1CCC(N(C)c2ncc([C@H](C)[NH3+])s2)CC1 ZINC000054897691 521569268 /nfs/dbraw/zinc/56/92/68/521569268.db2.gz RKEPUSFGNSZLSD-JTQLQIEISA-N 1 3 268.430 2.083 10 0 CEAEHO CCCN(Cc1ccccc1)C[C@@H](C[NH3+])OCC ZINC000062739586 521686948 /nfs/dbraw/zinc/68/69/48/521686948.db2.gz YGRASCCYZSDMPQ-OAHLLOKOSA-N 1 3 250.386 2.262 10 0 CEAEHO CCC[N@@H+](Cc1ccccc1)C[C@@H](CN)OCC ZINC000062739586 521686951 /nfs/dbraw/zinc/68/69/51/521686951.db2.gz YGRASCCYZSDMPQ-OAHLLOKOSA-N 1 3 250.386 2.262 10 0 CEAEHO CCC[N@H+](Cc1ccccc1)C[C@@H](CN)OCC ZINC000062739586 521686955 /nfs/dbraw/zinc/68/69/55/521686955.db2.gz YGRASCCYZSDMPQ-OAHLLOKOSA-N 1 3 250.386 2.262 10 0 CEAEHO CC[C@@H](C)N1CCN(CCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000055083441 522119407 /nfs/dbraw/zinc/11/94/07/522119407.db2.gz XOYRHOMWNZZQSV-CVEARBPZSA-N 1 3 267.461 2.182 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000055063887 522128582 /nfs/dbraw/zinc/12/85/82/522128582.db2.gz HEGCSDMUIRIOSP-CJNGLKHVSA-N 1 3 279.403 2.242 10 0 CEAEHO CCc1nc(N2CCN(C3CCCC3)CC2)sc1C[NH3+] ZINC000054998312 522384791 /nfs/dbraw/zinc/38/47/91/522384791.db2.gz ULOYMRYQMGTDNA-UHFFFAOYSA-N 1 3 294.468 2.229 10 0 CEAEHO C[NH2+][C@@H]1CCCc2nc(N(C)C3CCN(C)CC3)sc21 ZINC000054899496 522390085 /nfs/dbraw/zinc/39/00/85/522390085.db2.gz ZNHUJWIWQBAGJM-GFCCVEGCSA-N 1 3 294.468 2.270 10 0 CEAEHO CC[C@@H](CC[NH3+])N1CCCN(c2ncccc2C)CC1 ZINC000051040746 522497456 /nfs/dbraw/zinc/49/74/56/522497456.db2.gz JNDGMIUZLVWANR-HNNXBMFYSA-N 1 3 276.428 2.030 10 0 CEAEHO CC[C@H]1CO[C@H](C)CN1CCC[C@@H]1CCCC[NH2+]1 ZINC000050953204 523350608 /nfs/dbraw/zinc/35/06/08/523350608.db2.gz NBHXCDPBQPSZEG-ILXRZTDVSA-N 1 3 254.418 2.408 10 0 CEAEHO COCCN(C)CCOc1cccc(C[NH2+]CC(C)C)c1 ZINC000052572856 523616370 /nfs/dbraw/zinc/61/63/70/523616370.db2.gz AGOVVXZFFMZLJF-UHFFFAOYSA-N 1 3 294.439 2.389 10 0 CEAEHO COCCN(C)Cc1ccccc1C[NH2+]C(C)C ZINC000052572959 523624772 /nfs/dbraw/zinc/62/47/72/523624772.db2.gz XGYGUQZODHHCKG-UHFFFAOYSA-N 1 3 250.386 2.263 10 0 CEAEHO CC[C@@](C)(C[NH2+]C(C)C)CN1CCN(C(C)C)CC1 ZINC000051217865 523639621 /nfs/dbraw/zinc/63/96/21/523639621.db2.gz AVRJTAJZUGKAQL-INIZCTEOSA-N 1 3 269.477 2.427 10 0 CEAEHO COCC[N@H+]([C@H](C)CCNC1CC1)[C@@H](C)C1CC1 ZINC000052545476 523780326 /nfs/dbraw/zinc/78/03/26/523780326.db2.gz GVOOMEFREBTRIA-OLZOCXBDSA-N 1 3 254.418 2.264 10 0 CEAEHO COCC[N@@H+]([C@H](C)CCNC1CC1)[C@@H](C)C1CC1 ZINC000052545476 523780330 /nfs/dbraw/zinc/78/03/30/523780330.db2.gz GVOOMEFREBTRIA-OLZOCXBDSA-N 1 3 254.418 2.264 10 0 CEAEHO CC[C@H](C)[N@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052181189 523915146 /nfs/dbraw/zinc/91/51/46/523915146.db2.gz UJEJMVMEAGECMV-ZDUSSCGKSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[C@H](C)[N@@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052181189 523915149 /nfs/dbraw/zinc/91/51/49/523915149.db2.gz UJEJMVMEAGECMV-ZDUSSCGKSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[C@H](C)N(C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181189 523915153 /nfs/dbraw/zinc/91/51/53/523915153.db2.gz UJEJMVMEAGECMV-ZDUSSCGKSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@H](C[NH3+])c2ccccc2)CC1 ZINC000055064215 523955163 /nfs/dbraw/zinc/95/51/63/523955163.db2.gz ZAZYEUXTXAIAIS-RDJZCZTQSA-N 1 3 275.440 2.145 10 0 CEAEHO C[NH+](C)CCCOCc1oc2ccccc2c1CN ZINC000052672529 524058245 /nfs/dbraw/zinc/05/82/45/524058245.db2.gz TVJHLUCGYMQOQY-UHFFFAOYSA-N 1 3 262.353 2.360 10 0 CEAEHO C[C@@H](CC[NH2+]C1CC1)N1CCN(C2CCCC2)CC1 ZINC000052573560 524498766 /nfs/dbraw/zinc/49/87/66/524498766.db2.gz BTBOWXXBRKJAQJ-AWEZNQCLSA-N 1 3 265.445 2.077 10 0 CEAEHO C[C@@H](C[NH3+])CN1CCCN(Cc2ccc(F)cc2F)CC1 ZINC000050872133 524582187 /nfs/dbraw/zinc/58/21/87/524582187.db2.gz ZTKGHFVXDLJZSF-ZDUSSCGKSA-N 1 3 297.393 2.067 10 0 CEAEHO Cc1cc(F)ccc1[C@@H](C[NH3+])N1CCN(CC2CC2)CC1 ZINC000050578943 525001914 /nfs/dbraw/zinc/00/19/14/525001914.db2.gz POFPLDYTNDRIFZ-QGZVFWFLSA-N 1 3 291.414 2.162 10 0 CEAEHO Cc1cc(F)ccc1[C@H](C[NH3+])N1CCN(CC(C)C)CC1 ZINC000055077952 525007722 /nfs/dbraw/zinc/00/77/22/525007722.db2.gz DDVQKTBGBOPEHT-KRWDZBQOSA-N 1 3 293.430 2.408 10 0 CEAEHO Cc1ncc(CNC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)[nH]1 ZINC000054822437 526887090 /nfs/dbraw/zinc/88/70/90/526887090.db2.gz AAMVFKHRCWEBCH-IUODEOHRSA-N 1 3 264.417 2.318 10 0 CEAEHO NN=c1[nH]cccc1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000052718530 527288119 /nfs/dbraw/zinc/28/81/19/527288119.db2.gz VMMHWMZFUNNAGY-CHWSQXEVSA-N 1 3 260.385 2.379 10 0 CEAEHO NN=c1[nH]cccc1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000052718530 527288125 /nfs/dbraw/zinc/28/81/25/527288125.db2.gz VMMHWMZFUNNAGY-CHWSQXEVSA-N 1 3 260.385 2.379 10 0 CEAEHO CC[NH2+]Cc1ccc(N2C[C@@H]3CCCCN3C[C@@H]2C)nc1 ZINC000094443278 535479494 /nfs/dbraw/zinc/47/94/94/535479494.db2.gz IQIDCAWYKVLUCZ-HOCLYGCPSA-N 1 3 288.439 2.254 10 0 CEAEHO CC(C)[C@@H]1[NH2+]C2(CCN(C)CC2)OCC12CCC2 ZINC000757138795 574510154 /nfs/dbraw/zinc/51/01/54/574510154.db2.gz DRPIVZQAIJGDON-ZDUSSCGKSA-N 1 3 252.402 2.223 10 0 CEAEHO CC(C)CN1CCC2(CC1)[NH2+]CC(C)(C)[C@H](C)O2 ZINC000757146026 574510406 /nfs/dbraw/zinc/51/04/06/574510406.db2.gz JEJLZRPPPFKNCS-ZDUSSCGKSA-N 1 3 254.418 2.469 10 0 CEAEHO [NH3+][C@@H]1CC[C@H]2CN(CCOc3ccc(Cl)cc3)C[C@H]12 ZINC000261606190 623394283 /nfs/dbraw/zinc/39/42/83/623394283.db2.gz RMCHZKLPJIECOG-TUKIKUTGSA-N 1 3 280.799 2.388 10 0 CEAEHO CCCN[C@H](CO)CC[N@H+](CCC(C)C)C1CC1 ZINC000096836946 185116287 /nfs/dbraw/zinc/11/62/87/185116287.db2.gz KFWCKAAVNHAXRD-AWEZNQCLSA-N 1 3 256.434 2.248 10 0 CEAEHO CCCN[C@H](CO)CC[N@@H+](CCC(C)C)C1CC1 ZINC000096836946 185116289 /nfs/dbraw/zinc/11/62/89/185116289.db2.gz KFWCKAAVNHAXRD-AWEZNQCLSA-N 1 3 256.434 2.248 10 0 CEAEHO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](N)CCC)CC1 ZINC000037825982 361950655 /nfs/dbraw/zinc/95/06/55/361950655.db2.gz FDWPXMMNIWSAIX-HNNXBMFYSA-N 1 3 283.460 2.084 10 0 CEAEHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](N)CCC)CC1 ZINC000037825982 361950659 /nfs/dbraw/zinc/95/06/59/361950659.db2.gz FDWPXMMNIWSAIX-HNNXBMFYSA-N 1 3 283.460 2.084 10 0 CEAEHO CCC1(CC)[C@H](NC[C@@H](O)C[NH+]2CCCCC2)C[C@@H]1OC ZINC000245869415 539313027 /nfs/dbraw/zinc/31/30/27/539313027.db2.gz JDUQZKIGTCEBOC-OAGGEKHMSA-N 1 3 298.471 2.017 10 0 CEAEHO Cc1nccn1CC[N@@H+]1C[C@H](C2CC2)NC[C@@]1(C)C1CC1 ZINC000085529400 179091957 /nfs/dbraw/zinc/09/19/57/179091957.db2.gz QDWNIWPZFLYPTC-SJORKVTESA-N 1 3 288.439 2.044 10 0 CEAEHO Cc1nccn1CC[N@H+]1C[C@H](C2CC2)NC[C@@]1(C)C1CC1 ZINC000085529400 179091959 /nfs/dbraw/zinc/09/19/59/179091959.db2.gz QDWNIWPZFLYPTC-SJORKVTESA-N 1 3 288.439 2.044 10 0 CEAEHO c1ccc(C[C@H]2CN(CC3CCOCC3)CCC[NH2+]2)cc1 ZINC000085608790 179100929 /nfs/dbraw/zinc/10/09/29/179100929.db2.gz UKQNCSQOMPESKX-SFHVURJKSA-N 1 3 288.435 2.320 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@H+](C2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086153960 179241312 /nfs/dbraw/zinc/24/13/12/179241312.db2.gz WBIJVSRNDJOKFP-UAGQMJEPSA-N 1 3 281.488 2.425 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@@H+](C2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086153960 179241313 /nfs/dbraw/zinc/24/13/13/179241313.db2.gz WBIJVSRNDJOKFP-UAGQMJEPSA-N 1 3 281.488 2.425 10 0 CEAEHO CC(C)[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1[C@@H](C)CCN(C)C ZINC000086173281 179244231 /nfs/dbraw/zinc/24/42/31/179244231.db2.gz DRXWRKFYOQSAFA-XHSDSOJGSA-N 1 3 269.477 2.281 10 0 CEAEHO CC(C)[C@@H]1CN[C@@H](C(C)C)C[N@H+]1[C@@H](C)CCN(C)C ZINC000086173281 179244234 /nfs/dbraw/zinc/24/42/34/179244234.db2.gz DRXWRKFYOQSAFA-XHSDSOJGSA-N 1 3 269.477 2.281 10 0 CEAEHO CC(C)[C@@H]1C[N@H+]([C@@H](C)CCN(C)C)[C@@H](C(C)C)CN1 ZINC000086173280 179244271 /nfs/dbraw/zinc/24/42/71/179244271.db2.gz DRXWRKFYOQSAFA-HRCADAONSA-N 1 3 269.477 2.281 10 0 CEAEHO CC(C)[C@@H]1C[N@@H+]([C@@H](C)CCN(C)C)[C@@H](C(C)C)CN1 ZINC000086173280 179244273 /nfs/dbraw/zinc/24/42/73/179244273.db2.gz DRXWRKFYOQSAFA-HRCADAONSA-N 1 3 269.477 2.281 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@H+]([C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086172106 179244450 /nfs/dbraw/zinc/24/44/50/179244450.db2.gz RURXMBMRKLYMAR-HZMVEIRTSA-N 1 3 281.488 2.425 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@@H+]([C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086172106 179244453 /nfs/dbraw/zinc/24/44/53/179244453.db2.gz RURXMBMRKLYMAR-HZMVEIRTSA-N 1 3 281.488 2.425 10 0 CEAEHO CC[C@H](C)[C@H]1CN([C@@H]2CCCN(C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086172106 179244455 /nfs/dbraw/zinc/24/44/55/179244455.db2.gz RURXMBMRKLYMAR-HZMVEIRTSA-N 1 3 281.488 2.425 10 0 CEAEHO CC[C@@H]1CNC2(CCCC2)C[N@@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182645 179248139 /nfs/dbraw/zinc/24/81/39/179248139.db2.gz XCOLGXQKTJJTEF-HZPDHXFCSA-N 1 3 277.456 2.077 10 0 CEAEHO CC[C@@H]1CNC2(CCCC2)C[N@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182645 179248141 /nfs/dbraw/zinc/24/81/41/179248141.db2.gz XCOLGXQKTJJTEF-HZPDHXFCSA-N 1 3 277.456 2.077 10 0 CEAEHO CC[C@H]1CNC(CC)(CC)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223095 179250966 /nfs/dbraw/zinc/25/09/66/179250966.db2.gz OUPMFZNXFDWWRO-CABCVRRESA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@H]1CNC(CC)(CC)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223095 179250969 /nfs/dbraw/zinc/25/09/69/179250969.db2.gz OUPMFZNXFDWWRO-CABCVRRESA-N 1 3 267.461 2.181 10 0 CEAEHO CCC[C@H]1C[N@H+](C[C@@H]2CCN(C)C2)[C@H](C(C)C)CN1 ZINC000086223179 179251543 /nfs/dbraw/zinc/25/15/43/179251543.db2.gz UUWDXNWAEUYIHU-PMPSAXMXSA-N 1 3 267.461 2.037 10 0 CEAEHO CCC[C@H]1C[N@@H+](C[C@@H]2CCN(C)C2)[C@H](C(C)C)CN1 ZINC000086223179 179251545 /nfs/dbraw/zinc/25/15/45/179251545.db2.gz UUWDXNWAEUYIHU-PMPSAXMXSA-N 1 3 267.461 2.037 10 0 CEAEHO CCN1CCC[C@@H]([N@@H+]2CC(C)(C)NC[C@@H]2C(C)C)C1 ZINC000086225401 179253085 /nfs/dbraw/zinc/25/30/85/179253085.db2.gz SRFMLLLTKFREOL-HUUCEWRRSA-N 1 3 267.461 2.179 10 0 CEAEHO CCN1CCC[C@@H]([N@H+]2CC(C)(C)NC[C@@H]2C(C)C)C1 ZINC000086225401 179253086 /nfs/dbraw/zinc/25/30/86/179253086.db2.gz SRFMLLLTKFREOL-HUUCEWRRSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1[C@@H]1CCCN(CC)C1 ZINC000086225380 179253094 /nfs/dbraw/zinc/25/30/94/179253094.db2.gz RAQJKXGKLWTJRC-ZACQAIPSSA-N 1 3 279.472 2.323 10 0 CEAEHO CC[C@@H]1CN[C@](C)(C2CC2)C[N@H+]1[C@@H]1CCCN(CC)C1 ZINC000086225380 179253095 /nfs/dbraw/zinc/25/30/95/179253095.db2.gz RAQJKXGKLWTJRC-ZACQAIPSSA-N 1 3 279.472 2.323 10 0 CEAEHO CC[C@H]1CN[C@@](C)(CC)C[N@@H+]1CC1CCN(C)CC1 ZINC000086259054 179257061 /nfs/dbraw/zinc/25/70/61/179257061.db2.gz LPIZUJNNCSGGQP-HOTGVXAUSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@H]1CN[C@@](C)(CC)C[N@H+]1CC1CCN(C)CC1 ZINC000086259054 179257062 /nfs/dbraw/zinc/25/70/62/179257062.db2.gz LPIZUJNNCSGGQP-HOTGVXAUSA-N 1 3 267.461 2.181 10 0 CEAEHO CN[C@@H]1CCCc2sc(N3CCC[C@@H]3C[NH+](C)C)nc21 ZINC000086443983 179293598 /nfs/dbraw/zinc/29/35/98/179293598.db2.gz UJUSBJWCEVKDDD-VXGBXAGGSA-N 1 3 294.468 2.270 10 0 CEAEHO N[C@H]1CCCc2sc(N3CC[C@@H]([NH+]4CCCC4)C3)nc21 ZINC000086444086 179293721 /nfs/dbraw/zinc/29/37/21/179293721.db2.gz BTJYXHLYARJBDO-NEPJUHHUSA-N 1 3 292.452 2.154 10 0 CEAEHO CN1CCC[C@](CN)([N@H+](C)CC2CCCCC2)CC1 ZINC000086819417 179348648 /nfs/dbraw/zinc/34/86/48/179348648.db2.gz GOTUPURUQXSCFY-INIZCTEOSA-N 1 3 267.461 2.312 10 0 CEAEHO CN1CCC[C@](CN)([N@@H+](C)CC2CCCCC2)CC1 ZINC000086819417 179348649 /nfs/dbraw/zinc/34/86/49/179348649.db2.gz GOTUPURUQXSCFY-INIZCTEOSA-N 1 3 267.461 2.312 10 0 CEAEHO C[C@@H](C[NH2+][C@@H]1CCCN(C)CC1)CN1CCCCC1 ZINC000086818833 179348932 /nfs/dbraw/zinc/34/89/32/179348932.db2.gz NEKOTMUPEZYDDP-JKSUJKDBSA-N 1 3 267.461 2.182 10 0 CEAEHO CCN1CCC[C@@](CN)([N@H+](C)CCC(C)C)CC1 ZINC000086847654 179356252 /nfs/dbraw/zinc/35/62/52/179356252.db2.gz GLPKTWSPBVSRMJ-OAHLLOKOSA-N 1 3 255.450 2.168 10 0 CEAEHO CCN1CCC[C@@](CN)([N@@H+](C)CCC(C)C)CC1 ZINC000086847654 179356253 /nfs/dbraw/zinc/35/62/53/179356253.db2.gz GLPKTWSPBVSRMJ-OAHLLOKOSA-N 1 3 255.450 2.168 10 0 CEAEHO CC(C)N1CCC[C@H]([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000086840333 179351883 /nfs/dbraw/zinc/35/18/83/179351883.db2.gz AHVJIPSJLXYKBQ-HNNXBMFYSA-N 1 3 279.472 2.466 10 0 CEAEHO CC[C@H](C)NC(=O)CCN[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086841975 179353441 /nfs/dbraw/zinc/35/34/41/179353441.db2.gz IJRVVUULCVGYGO-LSDHHAIUSA-N 1 3 283.460 2.144 10 0 CEAEHO CC[C@H](C)NC(=O)CCN[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086841975 179353443 /nfs/dbraw/zinc/35/34/43/179353443.db2.gz IJRVVUULCVGYGO-LSDHHAIUSA-N 1 3 283.460 2.144 10 0 CEAEHO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCCN(C(C)C)CC1 ZINC000086841975 179353444 /nfs/dbraw/zinc/35/34/44/179353444.db2.gz IJRVVUULCVGYGO-LSDHHAIUSA-N 1 3 283.460 2.144 10 0 CEAEHO CCN1CCC[C@](CN)([N@@H+]2CCCCC[C@@H]2C)CC1 ZINC000086848912 179358429 /nfs/dbraw/zinc/35/84/29/179358429.db2.gz IKXOKGQUUZXQKV-HOTGVXAUSA-N 1 3 267.461 2.454 10 0 CEAEHO CCN1CCC[C@](CN)([N@H+]2CCCCC[C@@H]2C)CC1 ZINC000086848912 179358431 /nfs/dbraw/zinc/35/84/31/179358431.db2.gz IKXOKGQUUZXQKV-HOTGVXAUSA-N 1 3 267.461 2.454 10 0 CEAEHO [NH3+]C[C@@]1(N2CCCc3ccccc3C2)CCCOCC1 ZINC000086875753 179365617 /nfs/dbraw/zinc/36/56/17/179365617.db2.gz ZTUGCOZQLORUCG-QGZVFWFLSA-N 1 3 274.408 2.333 10 0 CEAEHO CC[NH2+]C[C@@H]1CC[C@@H](CN2CCC(C(F)(F)F)CC2)O1 ZINC000088438033 179601767 /nfs/dbraw/zinc/60/17/67/179601767.db2.gz BMMUTFJXXIXKCW-STQMWFEESA-N 1 3 294.361 2.418 10 0 CEAEHO Cc1nc(CNC[C@@H]2CCCC[C@@H]2C[NH3+])cs1 ZINC000089402220 179781889 /nfs/dbraw/zinc/78/18/89/179781889.db2.gz WSYPSONKPWNQEO-NEPJUHHUSA-N 1 3 253.415 2.306 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[NH+]1CCC(C)(C)CC1 ZINC000090566820 180006347 /nfs/dbraw/zinc/00/63/47/180006347.db2.gz YJQKZSJBQXXRKX-ZIAGYGMSSA-N 1 3 254.418 2.123 10 0 CEAEHO CCC[NH2+][C@@H]1COC[C@H]1CN1CCC(C)(C)CC1 ZINC000090566820 180006349 /nfs/dbraw/zinc/00/63/49/180006349.db2.gz YJQKZSJBQXXRKX-ZIAGYGMSSA-N 1 3 254.418 2.123 10 0 CEAEHO CN(CCCOCC(F)(F)F)CC[C@H]1CCCC[NH2+]1 ZINC000090693314 180025044 /nfs/dbraw/zinc/02/50/44/180025044.db2.gz GAYOSBRNOFRIJD-GFCCVEGCSA-N 1 3 282.350 2.419 10 0 CEAEHO c1ccc2c(c1)C[C@H](C[NH2+]C[C@@H]1CCN(C3CC3)C1)O2 ZINC000090874331 180050018 /nfs/dbraw/zinc/05/00/18/180050018.db2.gz MBFIDSATWZUCCB-XJKSGUPXSA-N 1 3 272.392 2.064 10 0 CEAEHO c1ccc2c(c1)C[C@H](CNC[C@@H]1CC[N@@H+](C3CC3)C1)O2 ZINC000090874331 180050021 /nfs/dbraw/zinc/05/00/21/180050021.db2.gz MBFIDSATWZUCCB-XJKSGUPXSA-N 1 3 272.392 2.064 10 0 CEAEHO c1ccc2c(c1)C[C@H](CNC[C@@H]1CC[N@H+](C3CC3)C1)O2 ZINC000090874331 180050022 /nfs/dbraw/zinc/05/00/22/180050022.db2.gz MBFIDSATWZUCCB-XJKSGUPXSA-N 1 3 272.392 2.064 10 0 CEAEHO CN(C[C@@H]1Cc2ccccc2O1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000090876292 180051770 /nfs/dbraw/zinc/05/17/70/180051770.db2.gz UBSYZLXXKSJWOX-QLFBSQMISA-N 1 3 260.381 2.049 10 0 CEAEHO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1c[nH]c2ncccc12 ZINC000091019419 180087877 /nfs/dbraw/zinc/08/78/77/180087877.db2.gz VVIWGQBKQMTBOS-YHWZYXNKSA-N 1 3 256.353 2.017 10 0 CEAEHO c1csc(C[N@@H+](CC[C@H]2CNCCO2)C2CC2)c1 ZINC000091313873 180133024 /nfs/dbraw/zinc/13/30/24/180133024.db2.gz JVHSGYQQSQWYGS-ZDUSSCGKSA-N 1 3 266.410 2.091 10 0 CEAEHO c1csc(C[N@H+](CC[C@H]2CNCCO2)C2CC2)c1 ZINC000091313873 180133025 /nfs/dbraw/zinc/13/30/25/180133025.db2.gz JVHSGYQQSQWYGS-ZDUSSCGKSA-N 1 3 266.410 2.091 10 0 CEAEHO C[NH2+][C@H](CCN(C)CC1CC(O)C1)c1ccccc1 ZINC000091489216 180168397 /nfs/dbraw/zinc/16/83/97/180168397.db2.gz FCTGVBJUGLCUPM-AVVWSFFYSA-N 1 3 262.397 2.040 10 0 CEAEHO CC[C@@H]1CCCC[C@]1(CN)[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091392282 180144794 /nfs/dbraw/zinc/14/47/94/180144794.db2.gz WDULQNQABZSKQC-OWCLPIDISA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@@H]1CCCC[C@]1(CN)[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091392282 180144795 /nfs/dbraw/zinc/14/47/95/180144795.db2.gz WDULQNQABZSKQC-OWCLPIDISA-N 1 3 267.461 2.310 10 0 CEAEHO Cc1ccc([C@H](N)[C@H](C)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091392831 180145343 /nfs/dbraw/zinc/14/53/43/180145343.db2.gz LURNGUQDRNGSHC-BHYGNILZSA-N 1 3 275.440 2.409 10 0 CEAEHO CC[C@@H]1CC[C@H](CN)[C@H]([N@@H+]2CCC[C@H](N(C)C)C2)C1 ZINC000091392779 180145415 /nfs/dbraw/zinc/14/54/15/180145415.db2.gz FSYVLHUQENXESF-LVQVYYBASA-N 1 3 267.461 2.166 10 0 CEAEHO CC[C@@H]1CC[C@H](CN)[C@H]([N@H+]2CCC[C@H](N(C)C)C2)C1 ZINC000091392779 180145416 /nfs/dbraw/zinc/14/54/16/180145416.db2.gz FSYVLHUQENXESF-LVQVYYBASA-N 1 3 267.461 2.166 10 0 CEAEHO Cc1ccccc1[C@H](N)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091394721 180146473 /nfs/dbraw/zinc/14/64/73/180146473.db2.gz SHHGTAUJXKIRAX-GOEBONIOSA-N 1 3 261.413 2.021 10 0 CEAEHO COc1ccc(C)cc1[C@H](N)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091395497 180146640 /nfs/dbraw/zinc/14/66/40/180146640.db2.gz YRDWLKUCFZXXAR-GOEBONIOSA-N 1 3 291.439 2.029 10 0 CEAEHO CC[NH2+][C@H](C)C(C)(C)CN(C)C[C@@H]1CCCOC1 ZINC000091405175 180147428 /nfs/dbraw/zinc/14/74/28/180147428.db2.gz ZJMUUKNIVNLMSG-KGLIPLIRSA-N 1 3 256.434 2.369 10 0 CEAEHO CN[C@@H](Cc1ccnc(N)c1)C(C)(C)[NH+]1CCCCCC1 ZINC000091568148 180195081 /nfs/dbraw/zinc/19/50/81/180195081.db2.gz CALJTIMCOSPZNM-HNNXBMFYSA-N 1 3 290.455 2.449 10 0 CEAEHO CCC[NH2+][C@@H](CCN(CC)CC)Cc1cnccc1N ZINC000091716778 180232716 /nfs/dbraw/zinc/23/27/16/180232716.db2.gz LICFNPFLXHVVFS-HNNXBMFYSA-N 1 3 278.444 2.306 10 0 CEAEHO CCN(C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)C1CCC([NH3+])CC1 ZINC000091850411 180271954 /nfs/dbraw/zinc/27/19/54/180271954.db2.gz GWMIKYRZHIGUKQ-QHSYURCPSA-N 1 3 295.471 2.366 10 0 CEAEHO CCN(Cc1cc(C(N)=O)ccc1F)C1CCC([NH3+])CC1 ZINC000091850981 180272195 /nfs/dbraw/zinc/27/21/95/180272195.db2.gz ZNLAPROBLAVVLH-UHFFFAOYSA-N 1 3 293.386 2.016 10 0 CEAEHO [NH3+]C[C@H]1CCCN(C[C@@H]2Cc3ccccc3S2)C1 ZINC000092262859 180355216 /nfs/dbraw/zinc/35/52/16/180355216.db2.gz DPRCPFUJLQGTOJ-OCCSQVGLSA-N 1 3 262.422 2.374 10 0 CEAEHO c1ccc2c(c1)OC[C@@H]2C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000092299780 180358705 /nfs/dbraw/zinc/35/87/05/180358705.db2.gz UGXTXCKWZFAFGA-KGLIPLIRSA-N 1 3 272.392 2.237 10 0 CEAEHO c1ccc2c(c1)OC[C@@H]2CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000092299780 180358707 /nfs/dbraw/zinc/35/87/07/180358707.db2.gz UGXTXCKWZFAFGA-KGLIPLIRSA-N 1 3 272.392 2.237 10 0 CEAEHO c1ccc2c(c1)OC[C@@H]2CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000092299780 180358708 /nfs/dbraw/zinc/35/87/08/180358708.db2.gz UGXTXCKWZFAFGA-KGLIPLIRSA-N 1 3 272.392 2.237 10 0 CEAEHO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1C[C@@H]1COc2ccccc21 ZINC000092304623 180359952 /nfs/dbraw/zinc/35/99/52/180359952.db2.gz BFHCMNWAXHCQMA-GZBFAFLISA-N 1 3 272.392 2.092 10 0 CEAEHO CC(C)[C@H]1CSC(NCCC[NH+]2CCCC2)=N1 ZINC000092402666 180378162 /nfs/dbraw/zinc/37/81/62/180378162.db2.gz ZHWIBYLKAZGTKG-GFCCVEGCSA-N 1 3 255.431 2.189 10 0 CEAEHO CCN(CC)CCc1noc([C@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000109495993 186256518 /nfs/dbraw/zinc/25/65/18/186256518.db2.gz KAKWEQCMVPCNLW-STQMWFEESA-N 1 3 280.416 2.329 10 0 CEAEHO CC[C@@H](c1nc(CCN(CC)CC)no1)[C@@H](C)[NH2+]C ZINC000109496120 186256783 /nfs/dbraw/zinc/25/67/83/186256783.db2.gz GGOKOQGZIDBTEP-VXGBXAGGSA-N 1 3 268.405 2.055 10 0 CEAEHO CC[NH2+][C@@H]1CCC[C@@H]1c1nc(CCN(CC)CC)no1 ZINC000109496088 186256921 /nfs/dbraw/zinc/25/69/21/186256921.db2.gz CVYBPTWUANEQKE-QWHCGFSZSA-N 1 3 280.416 2.200 10 0 CEAEHO [NH2+]=C(Nc1ccccc1)N1CC[C@@H](N2CCCC2)C1 ZINC000110368917 186294010 /nfs/dbraw/zinc/29/40/10/186294010.db2.gz JELVDVUWXKPVCV-CQSZACIVSA-N 1 3 258.369 2.203 10 0 CEAEHO Cc1ccc([C@@H](CN)N2CCC([NH+](C)C)CC2)cc1F ZINC000110977156 186338808 /nfs/dbraw/zinc/33/88/08/186338808.db2.gz PTHNPAWSHPUSED-MRXNPFEDSA-N 1 3 279.403 2.160 10 0 CEAEHO CCN1CCN([C@@H](C[NH3+])c2ccc(OC)c(C)c2)C[C@@H]1C ZINC000110708679 186314272 /nfs/dbraw/zinc/31/42/72/186314272.db2.gz DQDPPDOYKZGXFK-HOCLYGCPSA-N 1 3 291.439 2.029 10 0 CEAEHO CCN1CCN([C@@H](CC[NH3+])c2ccccc2)C[C@@H]1C ZINC000110705820 186314450 /nfs/dbraw/zinc/31/44/50/186314450.db2.gz PMUILJCNUMLNCI-HOCLYGCPSA-N 1 3 261.413 2.103 10 0 CEAEHO CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(C)c(C)c2)CCN1C ZINC000110710006 186316102 /nfs/dbraw/zinc/31/61/02/186316102.db2.gz KIUKDQOPDLWYQN-SJORKVTESA-N 1 3 275.440 2.329 10 0 CEAEHO Cc1ccc([C@H]([NH3+])CN2CCN(C)C(C)(C)C2)cc1C ZINC000110716348 186316255 /nfs/dbraw/zinc/31/62/55/186316255.db2.gz BUHWIPOPIKZZAU-MRXNPFEDSA-N 1 3 275.440 2.329 10 0 CEAEHO CC[C@@H]1CN([C@@H](C[NH3+])[C@@H](C)c2ccccc2)CCN1C ZINC000110710274 186316602 /nfs/dbraw/zinc/31/66/02/186316602.db2.gz KKBVZETZPRBUNP-UAGQMJEPSA-N 1 3 275.440 2.143 10 0 CEAEHO CCN1CCN(Cc2cc([C@@H](C)[NH3+])ccc2OC)C[C@@H]1C ZINC000110714865 186316781 /nfs/dbraw/zinc/31/67/81/186316781.db2.gz KZDBXEHSOFFBMU-UONOGXRCSA-N 1 3 291.439 2.241 10 0 CEAEHO CCC[C@H](C)[NH2+]C[C@H](C)N1CCN(C)C(C)(C)C1 ZINC000110757978 186320009 /nfs/dbraw/zinc/32/00/09/186320009.db2.gz VEYBTLFNJSWPOB-KBPBESRZSA-N 1 3 255.450 2.179 10 0 CEAEHO C[N@H+](CC1CCOCC1)[C@H](CCN)c1ccccc1 ZINC000111157530 186363192 /nfs/dbraw/zinc/36/31/92/186363192.db2.gz QIAZRVIZUZELEF-MRXNPFEDSA-N 1 3 262.397 2.435 10 0 CEAEHO C[N@@H+](CC1CCOCC1)[C@H](CCN)c1ccccc1 ZINC000111157530 186363193 /nfs/dbraw/zinc/36/31/93/186363193.db2.gz QIAZRVIZUZELEF-MRXNPFEDSA-N 1 3 262.397 2.435 10 0 CEAEHO CCc1ccc([C@@H](CN)N(C)CCC[NH+](C)C)s1 ZINC000111133415 186356613 /nfs/dbraw/zinc/35/66/13/186356613.db2.gz PSCRWAWXNSWIPX-CYBMUJFWSA-N 1 3 269.458 2.194 10 0 CEAEHO CN(CCC[NH+](C)C)[C@H](CN)c1ccccc1Cl ZINC000111131737 186356809 /nfs/dbraw/zinc/35/68/09/186356809.db2.gz RSNQHQDMIVGNBK-CQSZACIVSA-N 1 3 269.820 2.223 10 0 CEAEHO CCN[C@@H](CN(C)CC[NH+](C)C)c1cc(C)ccc1OC ZINC000111135149 186356969 /nfs/dbraw/zinc/35/69/69/186356969.db2.gz XJKMUWIQRGGQTR-INIZCTEOSA-N 1 3 293.455 2.148 10 0 CEAEHO CCN[C@@H](CN(C)CCC[NH+](C)C)c1ccccc1OC ZINC000111135938 186357798 /nfs/dbraw/zinc/35/77/98/186357798.db2.gz OVZPZRFDEIQDAH-INIZCTEOSA-N 1 3 293.455 2.229 10 0 CEAEHO CC(C)[NH2+]C[C@@](C)(CN(C)CCN(C)C)c1ccccc1 ZINC000111146634 186358720 /nfs/dbraw/zinc/35/87/20/186358720.db2.gz FQNVGXLEGBGMAU-SFHVURJKSA-N 1 3 291.483 2.436 10 0 CEAEHO C[NH2+][C@@H](CCN(C)CC1CCOCC1)C(C)(C)C ZINC000111172680 186365456 /nfs/dbraw/zinc/36/54/56/186365456.db2.gz WSJVNFBNORLTAP-AWEZNQCLSA-N 1 3 256.434 2.369 10 0 CEAEHO CC(C)C[NH2+]CC[C@H](C)N(C)C[C@@H]1CCCOC1 ZINC000111175087 186365913 /nfs/dbraw/zinc/36/59/13/186365913.db2.gz ZLOWDTHXLCDEMW-GJZGRUSLSA-N 1 3 256.434 2.369 10 0 CEAEHO NC[C@@]1(C[N@@H+]2CCCc3ccccc3C2)CCCOC1 ZINC000111329302 186399315 /nfs/dbraw/zinc/39/93/15/186399315.db2.gz AGYWEGRXHYPYTQ-QGZVFWFLSA-N 1 3 274.408 2.190 10 0 CEAEHO NC[C@@]1(C[N@H+]2CCCc3ccccc3C2)CCCOC1 ZINC000111329302 186399317 /nfs/dbraw/zinc/39/93/17/186399317.db2.gz AGYWEGRXHYPYTQ-QGZVFWFLSA-N 1 3 274.408 2.190 10 0 CEAEHO C[C@@H]1CN2CCCC[C@@H]2CN1CCCC1CC[NH2+]CC1 ZINC000094440784 539879471 /nfs/dbraw/zinc/87/94/71/539879471.db2.gz VUXXLYGTRUPVBC-NVXWUHKLSA-N 1 3 279.472 2.325 10 0 CEAEHO CCOc1ccc(OCCN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261790677 371733556 /nfs/dbraw/zinc/73/35/56/371733556.db2.gz XRYKCXUINUDMQV-RRQGHBQHSA-N 1 3 290.407 2.133 10 0 CEAEHO COc1ccc([C@H](C)CN2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000262044570 371810795 /nfs/dbraw/zinc/81/07/95/371810795.db2.gz PNWHHDZNPQQOIH-RHSMWYFYSA-N 1 3 274.408 2.484 10 0 CEAEHO c1ccc(C[NH2+]C[C@H]2CCCN3CCCC[C@@H]23)nc1 ZINC000255994445 190000784 /nfs/dbraw/zinc/00/07/84/190000784.db2.gz PIZJBJGCANMPDH-ZBFHGGJFSA-N 1 3 259.397 2.436 10 0 CEAEHO C[C@H](NCCSCC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000564825541 377466097 /nfs/dbraw/zinc/46/60/97/377466097.db2.gz OQVWLLBBINBHIF-VHSXEESVSA-N 1 3 270.364 2.260 10 0 CEAEHO C[C@H]([NH2+]CCSCC(F)(F)F)[C@@H]1CCCNC1 ZINC000564825541 377466107 /nfs/dbraw/zinc/46/61/07/377466107.db2.gz OQVWLLBBINBHIF-VHSXEESVSA-N 1 3 270.364 2.260 10 0 CEAEHO COc1ccc(CN(C)C)cc1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000093211931 184656134 /nfs/dbraw/zinc/65/61/34/184656134.db2.gz BWDLVXPGKAODRU-KGLIPLIRSA-N 1 3 277.412 2.439 10 0 CEAEHO CC(C)NCc1cc(OCC(C)(C)[NH+](C)C)ccn1 ZINC000093955416 184745628 /nfs/dbraw/zinc/74/56/28/184745628.db2.gz OQPSLTMCGDWERH-UHFFFAOYSA-N 1 3 265.401 2.299 10 0 CEAEHO C[C@@H](N)c1cc(F)ccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091393432 135068472 /nfs/dbraw/zinc/06/84/72/135068472.db2.gz BDSZXBYGUQENAK-YPMHNXCESA-N 1 3 265.376 2.376 10 0 CEAEHO [NH3+][C@H]1CCC[C@@H]1CCN1CCN(c2ccccc2)CC1 ZINC000093551574 135081564 /nfs/dbraw/zinc/08/15/64/135081564.db2.gz SUJFKORTSBVGFC-WBVHZDCISA-N 1 3 273.424 2.326 10 0 CEAEHO C[C@H]1CN2CCCC[C@@H]2CN1c1ccc(F)cc1CC[NH3+] ZINC000094444586 135088641 /nfs/dbraw/zinc/08/86/41/135088641.db2.gz TZFLJIUDMAFZIJ-XJKSGUPXSA-N 1 3 291.414 2.390 10 0 CEAEHO CO[C@H](CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000380979622 395170871 /nfs/dbraw/zinc/17/08/71/395170871.db2.gz FWTXHEKDQIXQQP-XUWVNRHRSA-N 1 3 260.381 2.043 10 0 CEAEHO CO[C@H](CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000380979625 395171468 /nfs/dbraw/zinc/17/14/68/395171468.db2.gz FWTXHEKDQIXQQP-YHUYYLMFSA-N 1 3 260.381 2.043 10 0 CEAEHO CCC[NH+](CCC)CCCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000170968075 162376424 /nfs/dbraw/zinc/37/64/24/162376424.db2.gz ZXQMTYJEZFHOLQ-MRXNPFEDSA-N 1 3 295.471 2.195 10 0 CEAEHO C[C@@H](NCCCOC1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400429681 287026174 /nfs/dbraw/zinc/02/61/74/287026174.db2.gz ZRPJLWHHCIQWHD-KGLIPLIRSA-N 1 3 254.418 2.313 10 0 CEAEHO CCCN1CCN([C@@H](C[NH3+])c2ccc(CC)cc2)CC1 ZINC000020179535 171044546 /nfs/dbraw/zinc/04/45/46/171044546.db2.gz HTTVQZJJNCQTSY-KRWDZBQOSA-N 1 3 275.440 2.276 10 0 CEAEHO CCOC1CC[NH+]([C@@H]2C[C@@H](C)CC[C@@H]2CN)CC1 ZINC000040678507 174374609 /nfs/dbraw/zinc/37/46/09/174374609.db2.gz PBGPIEAJBFVPHK-GZBFAFLISA-N 1 3 254.418 2.251 10 0 CEAEHO [NH3+]C1C[C@H]2CC[C@@H](C1)N2CCC(=O)Nc1ccccc1F ZINC000040749930 174394931 /nfs/dbraw/zinc/39/49/31/174394931.db2.gz BRTKFTOPJDQBEO-YHWZYXNKSA-N 1 3 291.370 2.108 10 0 CEAEHO FC(F)(F)CO[C@@H]1CCC[C@@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000043326960 175008993 /nfs/dbraw/zinc/00/89/93/175008993.db2.gz PDPFFFYNZBEROV-IJLUTSLNSA-N 1 3 280.334 2.218 10 0 CEAEHO CC[C@@H]([NH3+])[C@H](c1cccnc1)N1CCN(C(C)(C)C)CC1 ZINC000043347517 175018033 /nfs/dbraw/zinc/01/80/33/175018033.db2.gz CGTXGVFQUKOJMJ-CVEARBPZSA-N 1 3 290.455 2.276 10 0 CEAEHO CC[NH2+][C@@H]1CCCCC[C@H]1N(C)C1CCN(C)CC1 ZINC000043815319 175112455 /nfs/dbraw/zinc/11/24/55/175112455.db2.gz RSVGLVYQCDZKDY-HZPDHXFCSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[NH2+][C@H]1CCCCCC[C@H]1N1CCCN(C)CC1 ZINC000043818349 175113461 /nfs/dbraw/zinc/11/34/61/175113461.db2.gz HZUPZQCOKAWVJQ-JKSUJKDBSA-N 1 3 267.461 2.325 10 0 CEAEHO CCC[NH2+][C@H]1c2ccccc2C[C@H]1N1CCCN(C)CC1 ZINC000043818570 175113775 /nfs/dbraw/zinc/11/37/75/175113775.db2.gz APBRFWDMSNIVBF-MSOLQXFVSA-N 1 3 287.451 2.290 10 0 CEAEHO CCCC(C[NH3+])(CCC)C(=O)N(C)C1CCN(C)CC1 ZINC000044793702 175254377 /nfs/dbraw/zinc/25/43/77/175254377.db2.gz GOUHXARKHGEPAU-UHFFFAOYSA-N 1 3 283.460 2.084 10 0 CEAEHO CCC[NH+](CCC)CCCC[C@@](C)(NC1CC1)C(N)=O ZINC000045378561 175367377 /nfs/dbraw/zinc/36/73/77/175367377.db2.gz QKIUDAQHWDZRAX-MRXNPFEDSA-N 1 3 283.460 2.275 10 0 CEAEHO CN(C[C@@H]1CC[N@H+](C)C1)c1c(CN)cnc2ccccc21 ZINC000071187565 176060653 /nfs/dbraw/zinc/06/06/53/176060653.db2.gz HQIRLIAFEOCGSW-CYBMUJFWSA-N 1 3 284.407 2.081 10 0 CEAEHO CN(C[C@@H]1CC[N@@H+](C)C1)c1c(CN)cnc2ccccc21 ZINC000071187565 176060654 /nfs/dbraw/zinc/06/06/54/176060654.db2.gz HQIRLIAFEOCGSW-CYBMUJFWSA-N 1 3 284.407 2.081 10 0 CEAEHO CC[C@H](C)C[C@](CC)(CN)[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188597 176063373 /nfs/dbraw/zinc/06/33/73/176063373.db2.gz MGXOSEADHSRVPY-ARFHVFGLSA-N 1 3 269.477 2.414 10 0 CEAEHO CC[C@H](C)C[C@](CC)(CN)[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188597 176063374 /nfs/dbraw/zinc/06/33/74/176063374.db2.gz MGXOSEADHSRVPY-ARFHVFGLSA-N 1 3 269.477 2.414 10 0 CEAEHO C[C@@H]1CC(C)(C)C[C@@](CN)([N@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071188582 176063931 /nfs/dbraw/zinc/06/39/31/176063931.db2.gz WNXOOXYZJWDQHR-INMHGKMJSA-N 1 3 281.488 2.414 10 0 CEAEHO C[C@@H]1CC(C)(C)C[C@@](CN)([N@@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071188582 176063932 /nfs/dbraw/zinc/06/39/32/176063932.db2.gz WNXOOXYZJWDQHR-INMHGKMJSA-N 1 3 281.488 2.414 10 0 CEAEHO CC(C)NCc1coc(CN(C)C[C@H]2CC[N@H+](C)C2)c1 ZINC000071191829 176071170 /nfs/dbraw/zinc/07/11/70/176071170.db2.gz DHLFXXQPZYNNEE-AWEZNQCLSA-N 1 3 279.428 2.161 10 0 CEAEHO CC(C)NCc1coc(CN(C)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000071191829 176071171 /nfs/dbraw/zinc/07/11/71/176071171.db2.gz DHLFXXQPZYNNEE-AWEZNQCLSA-N 1 3 279.428 2.161 10 0 CEAEHO CCCNCc1ccc(CN(C)C[C@@H]2CC[N@H+](C)C2)o1 ZINC000071191956 176072600 /nfs/dbraw/zinc/07/26/00/176072600.db2.gz INAPYWHKQHZLCV-CQSZACIVSA-N 1 3 279.428 2.163 10 0 CEAEHO CCCNCc1ccc(CN(C)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC000071191956 176072601 /nfs/dbraw/zinc/07/26/01/176072601.db2.gz INAPYWHKQHZLCV-CQSZACIVSA-N 1 3 279.428 2.163 10 0 CEAEHO CC(C)CNCc1occc1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192088 176074002 /nfs/dbraw/zinc/07/40/02/176074002.db2.gz NGWBNXAXSHRLKX-OAHLLOKOSA-N 1 3 293.455 2.409 10 0 CEAEHO CC(C)CNCc1occc1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192088 176074004 /nfs/dbraw/zinc/07/40/04/176074004.db2.gz NGWBNXAXSHRLKX-OAHLLOKOSA-N 1 3 293.455 2.409 10 0 CEAEHO CC(C)C[C@H](CN(C)C)N1CCC[C@H]([NH2+]C2CC2)C1 ZINC000071200592 176077719 /nfs/dbraw/zinc/07/77/19/176077719.db2.gz PYPZMYBZPXFYDP-JKSUJKDBSA-N 1 3 267.461 2.179 10 0 CEAEHO OC1(C[NH+]2CCCCC2)CCN(Cc2ccccc2)CC1 ZINC000071257575 176095987 /nfs/dbraw/zinc/09/59/87/176095987.db2.gz FNZBOYVSWYGKSY-UHFFFAOYSA-N 1 3 288.435 2.499 10 0 CEAEHO CC[NH2+]CCCCCCN1CCN(C(C)C)CC1 ZINC000071288096 176110429 /nfs/dbraw/zinc/11/04/29/176110429.db2.gz UFBYYVGBOCNUBU-UHFFFAOYSA-N 1 3 255.450 2.182 10 0 CEAEHO Cc1nccn1CC[N@H+]1C[C@H](C(C)C)NC[C@@]1(C)C1CC1 ZINC000071342146 176130448 /nfs/dbraw/zinc/13/04/48/176130448.db2.gz UZRHJYYZTAADGV-SJORKVTESA-N 1 3 290.455 2.290 10 0 CEAEHO Cc1nccn1CC[N@@H+]1C[C@H](C(C)C)NC[C@@]1(C)C1CC1 ZINC000071342146 176130449 /nfs/dbraw/zinc/13/04/49/176130449.db2.gz UZRHJYYZTAADGV-SJORKVTESA-N 1 3 290.455 2.290 10 0 CEAEHO CC(C)C[C@H]1C[NH2+]C(C)(C)CN1CCCn1ccnc1 ZINC000071342689 176130567 /nfs/dbraw/zinc/13/05/67/176130567.db2.gz NJYVVWBNYCSRDK-HNNXBMFYSA-N 1 3 278.444 2.372 10 0 CEAEHO C1CCC2(C1)[C@H]([NH2+][C@@H]1CCCNCC1)[C@H]1CCO[C@@H]12 ZINC000423021597 270821900 /nfs/dbraw/zinc/82/19/00/270821900.db2.gz CLIQTDUMWUUKPR-TUVASFSCSA-N 1 3 264.413 2.066 10 0 CEAEHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1CCCC[C@@H]1O ZINC000093516684 289727118 /nfs/dbraw/zinc/72/71/18/289727118.db2.gz NGRWTRQMYXQXEW-UGUYLWEFSA-N 1 3 268.445 2.438 10 0 CEAEHO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)[C@H]1CCCNC1 ZINC000576268518 314257774 /nfs/dbraw/zinc/25/77/74/314257774.db2.gz CKDOCIHRWFGVOE-RFBLXINOSA-N 1 3 278.440 2.312 10 0 CEAEHO CC(C)N(CCCOc1ccccc1)CCC(N)=[NH2+] ZINC000061815885 519645086 /nfs/dbraw/zinc/64/50/86/519645086.db2.gz ANMBMRGEXXONDP-UHFFFAOYSA-N 1 3 263.385 2.492 10 0 CEAEHO CC(C)CN(CCN(C)C)C(=O)[C@@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055161487 519715631 /nfs/dbraw/zinc/71/56/31/519715631.db2.gz MHGNNVKGJPQCQP-JKSUJKDBSA-N 1 3 297.487 2.188 10 0 CEAEHO CC(C)CN1CCN(c2ccccc2[C@@H](C)[NH3+])CC1 ZINC000055079751 519729268 /nfs/dbraw/zinc/72/92/68/519729268.db2.gz WHCQGJSNJBILBR-CQSZACIVSA-N 1 3 261.413 2.484 10 0 CEAEHO CC[NH2+]Cc1coc(CN(CC)[C@@H](C)COC)c1 ZINC000052504905 520017806 /nfs/dbraw/zinc/01/78/06/520017806.db2.gz CGQMMFHJZLBLEO-LBPRGKRZSA-N 1 3 254.374 2.246 10 0 CEAEHO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CCN1CCCCC1 ZINC000054602463 521952803 /nfs/dbraw/zinc/95/28/03/521952803.db2.gz JOHHWCVXCGKWPM-MQVJKMGUSA-N 1 3 265.445 2.077 10 0 CEAEHO CNCC1(C[NH+]2CCCCCCC2)CCOCC1 ZINC000052181109 521969635 /nfs/dbraw/zinc/96/96/35/521969635.db2.gz AEHIHEZGIQXINR-UHFFFAOYSA-N 1 3 254.418 2.269 10 0 CEAEHO CC[C@@H](C)N1CCN(CC2(C[NH2+]C)CCCC2)CC1 ZINC000055071948 522117144 /nfs/dbraw/zinc/11/71/44/522117144.db2.gz PJGWWRXVTKVZGM-OAHLLOKOSA-N 1 3 267.461 2.182 10 0 CEAEHO C[NH2+][C@@H](C)c1cnc(N(CCN(C)C)CC(C)C)s1 ZINC000054906372 522336981 /nfs/dbraw/zinc/33/69/81/522336981.db2.gz TYCFTUQWLQNRIM-LBPRGKRZSA-N 1 3 284.473 2.448 10 0 CEAEHO C[NH2+][C@@H]1CCCCC[C@@H]1N1CCN(CC(C)C)CC1 ZINC000055078806 522376719 /nfs/dbraw/zinc/37/67/19/522376719.db2.gz GAXZBPMXMXSNGR-CVEARBPZSA-N 1 3 267.461 2.181 10 0 CEAEHO C[C@H](NCCCN(C)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400759714 533846258 /nfs/dbraw/zinc/84/62/58/533846258.db2.gz XWIDIQQLIOTCST-LSDHHAIUSA-N 1 3 261.413 2.101 10 0 CEAEHO CC(C)(C)NCc1nccn1CCC[NH+]1CCCC1 ZINC000051015334 518768396 /nfs/dbraw/zinc/76/83/96/518768396.db2.gz MNTFGNZSHWVOLE-UHFFFAOYSA-N 1 3 264.417 2.257 10 0 CEAEHO CC(C)(CNC1CC1)C[N@H+]1CCC[C@H]1CCCO ZINC000052763382 519265321 /nfs/dbraw/zinc/26/53/21/519265321.db2.gz IGCBOXUHYHMDPI-AWEZNQCLSA-N 1 3 254.418 2.002 10 0 CEAEHO CC(C)(C[NH2+]C1CC1)CN1CCC[C@H]1CCCO ZINC000052763382 519265326 /nfs/dbraw/zinc/26/53/26/519265326.db2.gz IGCBOXUHYHMDPI-AWEZNQCLSA-N 1 3 254.418 2.002 10 0 CEAEHO CC(C)(CNC1CC1)C[N@@H+]1CCC[C@H]1CCCO ZINC000052763382 519265312 /nfs/dbraw/zinc/26/53/12/519265312.db2.gz IGCBOXUHYHMDPI-AWEZNQCLSA-N 1 3 254.418 2.002 10 0 CEAEHO CC(C)CN(CCN(C)C)C(=O)[C@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055161489 519716287 /nfs/dbraw/zinc/71/62/87/519716287.db2.gz MHGNNVKGJPQCQP-HOTGVXAUSA-N 1 3 297.487 2.188 10 0 CEAEHO CC(C)CN1CCN(C[C@@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000055083049 519725927 /nfs/dbraw/zinc/72/59/27/519725927.db2.gz MKLFEWAOUJYANZ-HNNXBMFYSA-N 1 3 269.477 2.284 10 0 CEAEHO CC(C)NCc1ccc(CN2CCC[C@H]2C[NH+](C)C)o1 ZINC000061654492 519726722 /nfs/dbraw/zinc/72/67/22/519726722.db2.gz MWGLSDRTIVAYTJ-AWEZNQCLSA-N 1 3 279.428 2.304 10 0 CEAEHO CC(C)C[NH2+]Cc1cnc(N(C)[C@H]2CCCN(C)C2)s1 ZINC000054905589 519748548 /nfs/dbraw/zinc/74/85/48/519748548.db2.gz BWGAGBYEGYBZTN-ZDUSSCGKSA-N 1 3 296.484 2.419 10 0 CEAEHO CC(C)[C@H](CN(C)C)[NH2+]CC[C@H]1CCCCN1C ZINC000052205969 519814348 /nfs/dbraw/zinc/81/43/48/519814348.db2.gz RIQSVBVMTPUGLX-CABCVRRESA-N 1 3 255.450 2.037 10 0 CEAEHO CC[NH2+]CCCCCN1CCN([C@@H](C)CC)CC1 ZINC000055074419 519919318 /nfs/dbraw/zinc/91/93/18/519919318.db2.gz FUWKIKMMLDEVIQ-HNNXBMFYSA-N 1 3 255.450 2.182 10 0 CEAEHO CC[NH2+]C[C@H](C(C)C)N(CCN(C)C)CC(C)C ZINC000052503243 519958371 /nfs/dbraw/zinc/95/83/71/519958371.db2.gz KNGZUPWERIRZFW-OAHLLOKOSA-N 1 3 257.466 2.140 10 0 CEAEHO CCCNCc1oc(COCC[NH+](C)C)cc1C ZINC000052669980 519973811 /nfs/dbraw/zinc/97/38/11/519973811.db2.gz GKMLIRQEWYBKCO-UHFFFAOYSA-N 1 3 254.374 2.166 10 0 CEAEHO CCC[NH2+][C@@H]1CCC[C@H]1CN1CCN(CC(C)C)CC1 ZINC000055081868 520022404 /nfs/dbraw/zinc/02/24/04/520022404.db2.gz RICBKRGGFQXQKJ-DLBZAZTESA-N 1 3 281.488 2.428 10 0 CEAEHO CCC[C@H](C)[NH2+]CCN1CCN(CC(C)C)CC1 ZINC000055075991 521060887 /nfs/dbraw/zinc/06/08/87/521060887.db2.gz BJDDWSLCICBJAI-HNNXBMFYSA-N 1 3 255.450 2.038 10 0 CEAEHO CCC[C@H]1C[N@H+](CCn2ccnc2C)[C@H](C2CC2)CN1 ZINC000068701058 521220492 /nfs/dbraw/zinc/22/04/92/521220492.db2.gz WAMQTHIJICYECN-HOTGVXAUSA-N 1 3 276.428 2.044 10 0 CEAEHO CCC[C@H]1C[N@@H+](CCn2ccnc2C)[C@H](C2CC2)CN1 ZINC000068701058 521220500 /nfs/dbraw/zinc/22/05/00/521220500.db2.gz WAMQTHIJICYECN-HOTGVXAUSA-N 1 3 276.428 2.044 10 0 CEAEHO CCN(Cc1cc(C[NH2+]C)oc1C)[C@@H](C)COC ZINC000052505049 521289322 /nfs/dbraw/zinc/28/93/22/521289322.db2.gz WXNIIOYZVNIAJK-NSHDSACASA-N 1 3 254.374 2.164 10 0 CEAEHO CCC(C)(C)[NH2+]C[C@@H](C)N1CCN(CC(C)C)CC1 ZINC000055075895 521352849 /nfs/dbraw/zinc/35/28/49/521352849.db2.gz NXEUPKGTCNICEB-OAHLLOKOSA-N 1 3 269.477 2.427 10 0 CEAEHO CCCc1nc(N2CCC[C@@H]2CN(C)C)sc1C[NH2+]C ZINC000061655613 521532214 /nfs/dbraw/zinc/53/22/14/521532214.db2.gz HUHUWBSVDMUQOW-GFCCVEGCSA-N 1 3 296.484 2.345 10 0 CEAEHO CCC(CC)[C@@H](C[NH3+])N1CCN([C@@H](C)CC)CC1 ZINC000055064560 521603066 /nfs/dbraw/zinc/60/30/66/521603066.db2.gz GSMYPNUJMMXGGU-DZGCQCFKSA-N 1 3 255.450 2.166 10 0 CEAEHO CC[NH+]1CCC(N(C)Cc2ccc(CNC3CC3)o2)CC1 ZINC000052543996 521563351 /nfs/dbraw/zinc/56/33/51/521563351.db2.gz TYLKORTYFKKFKG-UHFFFAOYSA-N 1 3 291.439 2.448 10 0 CEAEHO CN(C)C[C@@H]1CCCN1CC[NH2+]C1CCCCCC1 ZINC000061655121 521837425 /nfs/dbraw/zinc/83/74/25/521837425.db2.gz IVVORPIMUDRCSQ-INIZCTEOSA-N 1 3 267.461 2.325 10 0 CEAEHO C[NH+](C)C[C@H]1CCCN1c1nc(CN)cc2ccccc21 ZINC000061654339 521877054 /nfs/dbraw/zinc/87/70/54/521877054.db2.gz GNTHHFHFLHJDRY-OAHLLOKOSA-N 1 3 284.407 2.224 10 0 CEAEHO CC[C@H](CC[NH3+])N1CCCN(c2ncccc2C)CC1 ZINC000051040747 522129035 /nfs/dbraw/zinc/12/90/35/522129035.db2.gz JNDGMIUZLVWANR-OAHLLOKOSA-N 1 3 276.428 2.030 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC000055065446 522129151 /nfs/dbraw/zinc/12/91/51/522129151.db2.gz BOWQDNGYTCZGFW-XYPHTWIQSA-N 1 3 273.424 2.027 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](C[NH3+])c2cccc(OC)c2)CC1 ZINC000055063633 522129708 /nfs/dbraw/zinc/12/97/08/522129708.db2.gz BUHNIYGRUPGKJQ-PBHICJAKSA-N 1 3 291.439 2.111 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](C[NH3+])c2ccc(F)c(F)c2)CC1 ZINC000055064818 522129779 /nfs/dbraw/zinc/12/97/79/522129779.db2.gz RYRTUFCUCVWKBG-WBMJQRKESA-N 1 3 297.393 2.381 10 0 CEAEHO CC[C@H]([NH3+])[C@H](N1CCN(CC(C)C)CC1)C(C)(C)C ZINC000055077216 522341290 /nfs/dbraw/zinc/34/12/90/522341290.db2.gz LWCDITSLKIXXMO-GJZGRUSLSA-N 1 3 269.477 2.412 10 0 CEAEHO CCc1nc(N(CCN(C)C)CC(C)C)sc1C[NH2+]C ZINC000054998604 522383563 /nfs/dbraw/zinc/38/35/63/522383563.db2.gz VQHASPKSXGNVGB-UHFFFAOYSA-N 1 3 298.500 2.449 10 0 CEAEHO COC[C@H](C)[N@H+](C)CCOc1ccccc1CNC1CC1 ZINC000052511631 522592447 /nfs/dbraw/zinc/59/24/47/522592447.db2.gz GQQWBHIADJZSOZ-AWEZNQCLSA-N 1 3 292.423 2.284 10 0 CEAEHO COC[C@H](C)[N@@H+](C)CCOc1ccccc1CNC1CC1 ZINC000052511631 522592455 /nfs/dbraw/zinc/59/24/55/522592455.db2.gz GQQWBHIADJZSOZ-AWEZNQCLSA-N 1 3 292.423 2.284 10 0 CEAEHO CC[C@H]1CC[C@H](CN)[C@H]([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061642539 523206760 /nfs/dbraw/zinc/20/67/60/523206760.db2.gz USWSIGFDDOHJFA-ZJIFWQFVSA-N 1 3 267.461 2.166 10 0 CEAEHO CC[C@H]1CC[C@H](CN)[C@H]([N@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061642539 523206767 /nfs/dbraw/zinc/20/67/67/523206767.db2.gz USWSIGFDDOHJFA-ZJIFWQFVSA-N 1 3 267.461 2.166 10 0 CEAEHO CN(c1nc2c(s1)[C@H]([NH3+])CCC2)[C@@H]1CCCN(C)C1 ZINC000054896333 523667247 /nfs/dbraw/zinc/66/72/47/523667247.db2.gz OGUHKYGIFHXAQV-GHMZBOCLSA-N 1 3 280.441 2.010 10 0 CEAEHO CN1CCCN(Cc2ccc(C[NH2+]C(C)(C)C)o2)CC1 ZINC000052424198 523809961 /nfs/dbraw/zinc/80/99/61/523809961.db2.gz MXIKYCVTASTVIG-UHFFFAOYSA-N 1 3 279.428 2.305 10 0 CEAEHO C[C@H]1CN(CCC[C@@H]2CCCC[NH2+]2)CC(C)(C)O1 ZINC000050954128 524595193 /nfs/dbraw/zinc/59/51/93/524595193.db2.gz WEOWSVAHMZCDOF-KBPBESRZSA-N 1 3 254.418 2.408 10 0 CEAEHO C[C@@H](CN1CCCCC1)[NH2+]CC[C@@H]1CCCCN1C ZINC000052205999 524605026 /nfs/dbraw/zinc/60/50/26/524605026.db2.gz QBWFBTIETZPQRR-HOTGVXAUSA-N 1 3 267.461 2.325 10 0 CEAEHO C[C@@H]([NH3+])c1ccc(NC(=O)N[C@@H](C)CN2CCCC2)cc1 ZINC000049189687 525029480 /nfs/dbraw/zinc/02/94/80/525029480.db2.gz WOSSZXIXGWROND-QWHCGFSZSA-N 1 3 290.411 2.312 10 0 CEAEHO Cc1ccccc1[C@@H](C[NH3+])N1CCC[C@@H]1CCCO ZINC000052757653 525367361 /nfs/dbraw/zinc/36/73/61/525367361.db2.gz LBEVIMJFWNFSKT-GDBMZVCRSA-N 1 3 262.397 2.232 10 0 CEAEHO Cc1ccc([C@@H](N)CN2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000062979147 525766188 /nfs/dbraw/zinc/76/61/88/525766188.db2.gz LLDVWRNUTKLSKK-IRXDYDNUSA-N 1 3 273.424 2.165 10 0 CEAEHO NCCC[N@H+](CCCN1CCCC1)C1CCCC1 ZINC000049332089 527178367 /nfs/dbraw/zinc/17/83/67/527178367.db2.gz IVXVTSCHGLUHHQ-UHFFFAOYSA-N 1 3 253.434 2.066 10 0 CEAEHO NCCC[N@@H+](CCCN1CCCC1)C1CCCC1 ZINC000049332089 527178375 /nfs/dbraw/zinc/17/83/75/527178375.db2.gz IVXVTSCHGLUHHQ-UHFFFAOYSA-N 1 3 253.434 2.066 10 0 CEAEHO CCOC(C[NH2+]C1CCN(c2ccncc2)CC1)OCC ZINC000093447437 535738478 /nfs/dbraw/zinc/73/84/78/535738478.db2.gz PYKMGXXITGWMIE-UHFFFAOYSA-N 1 3 293.411 2.039 10 0 CEAEHO CC(C)(C)[C@H]1CCOC2(CC[NH+](C3CC3)CC2)N1 ZINC000757140407 622874736 /nfs/dbraw/zinc/87/47/36/622874736.db2.gz LXQSXQRKUPXCDA-CYBMUJFWSA-N 1 3 252.402 2.366 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCOc3ccc(Cl)cc3)C[C@H]12 ZINC000261606182 623394453 /nfs/dbraw/zinc/39/44/53/623394453.db2.gz RMCHZKLPJIECOG-BYCMXARLSA-N 1 3 280.799 2.388 10 0 CEAEHO Cc1ccc(OC[C@@H](C)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000129170664 651858341 /nfs/dbraw/zinc/85/83/41/651858341.db2.gz AGOPKOXJQWRZMM-CABCVRRESA-N 1 3 262.397 2.494 10 0 CEAEHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@@H]1CCCO1 ZINC000036961237 361875256 /nfs/dbraw/zinc/87/52/56/361875256.db2.gz XJXYXKVMIPWOFT-CJNGLKHVSA-N 1 3 275.396 2.208 10 0 CEAEHO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N2CCCCC2)CC1 ZINC000040694323 361995729 /nfs/dbraw/zinc/99/57/29/361995729.db2.gz YKKZNQFUGPKJAF-JKSUJKDBSA-N 1 3 266.429 2.240 10 0 CEAEHO CCN1CCC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000040502605 361996066 /nfs/dbraw/zinc/99/60/66/361996066.db2.gz IMXXKKMAMHGHFX-INIZCTEOSA-N 1 3 288.439 2.124 10 0 CEAEHO CCC[C@H](N)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000037017297 343425464 /nfs/dbraw/zinc/42/54/64/343425464.db2.gz XOPPNHNPIYEADD-HNNXBMFYSA-N 1 3 275.396 2.348 10 0 CEAEHO CC(C)COc1cccc(CN2CC[C@H](C(=[NH2+])NO)C2)c1 ZINC000584633983 344970379 /nfs/dbraw/zinc/97/03/79/344970379.db2.gz UZUGGTNBMYWFPV-AWEZNQCLSA-N 1 3 291.395 2.499 10 0 CEAEHO C[C@@H]1CC[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CCCCO1 ZINC000085623749 179106934 /nfs/dbraw/zinc/10/69/34/179106934.db2.gz ULGMVSAUZLESPU-KBMXLJTQSA-N 1 3 266.429 2.408 10 0 CEAEHO C[C@@H]1CCN[C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085623749 179106936 /nfs/dbraw/zinc/10/69/36/179106936.db2.gz ULGMVSAUZLESPU-KBMXLJTQSA-N 1 3 266.429 2.408 10 0 CEAEHO C[C@@H]1CCN[C@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCCO1 ZINC000085623749 179106937 /nfs/dbraw/zinc/10/69/37/179106937.db2.gz ULGMVSAUZLESPU-KBMXLJTQSA-N 1 3 266.429 2.408 10 0 CEAEHO CCC1(CC)C[N@H+](CCn2cccn2)[C@H](C)CCN1 ZINC000085627955 179107049 /nfs/dbraw/zinc/10/70/49/179107049.db2.gz NFDILIRLWGLVHR-CQSZACIVSA-N 1 3 264.417 2.126 10 0 CEAEHO CCC1(CC)C[N@@H+](CCn2cccn2)[C@H](C)CCN1 ZINC000085627955 179107050 /nfs/dbraw/zinc/10/70/50/179107050.db2.gz NFDILIRLWGLVHR-CQSZACIVSA-N 1 3 264.417 2.126 10 0 CEAEHO c1cn(CCC[N@@H+]2CCCNC3(CCCCC3)C2)cn1 ZINC000085610342 179101460 /nfs/dbraw/zinc/10/14/60/179101460.db2.gz AECXPOCTXCYJTC-UHFFFAOYSA-N 1 3 276.428 2.271 10 0 CEAEHO c1cn(CCC[N@H+]2CCCNC3(CCCCC3)C2)cn1 ZINC000085610342 179101463 /nfs/dbraw/zinc/10/14/63/179101463.db2.gz AECXPOCTXCYJTC-UHFFFAOYSA-N 1 3 276.428 2.271 10 0 CEAEHO c1cn(CCCN2CCC[NH2+]C3(CCCCC3)C2)cn1 ZINC000085610342 179101466 /nfs/dbraw/zinc/10/14/66/179101466.db2.gz AECXPOCTXCYJTC-UHFFFAOYSA-N 1 3 276.428 2.271 10 0 CEAEHO CC1(C)C[N@H+](CCCOCC(F)(F)F)CCCN1 ZINC000085611695 179102090 /nfs/dbraw/zinc/10/20/90/179102090.db2.gz SSRXFCAWSRKIEG-UHFFFAOYSA-N 1 3 268.323 2.029 10 0 CEAEHO CC1(C)C[N@@H+](CCCOCC(F)(F)F)CCCN1 ZINC000085611695 179102093 /nfs/dbraw/zinc/10/20/93/179102093.db2.gz SSRXFCAWSRKIEG-UHFFFAOYSA-N 1 3 268.323 2.029 10 0 CEAEHO CC(C)OCCN1C[C@@](C)(C2CC2)[NH2+]CC[C@@H]1C ZINC000085623471 179105448 /nfs/dbraw/zinc/10/54/48/179105448.db2.gz XEYGQQCRCXUMJF-ZFWWWQNUSA-N 1 3 254.418 2.264 10 0 CEAEHO CC(C)OCC[N@@H+]1C[C@@](C)(C2CC2)NCC[C@@H]1C ZINC000085623471 179105449 /nfs/dbraw/zinc/10/54/49/179105449.db2.gz XEYGQQCRCXUMJF-ZFWWWQNUSA-N 1 3 254.418 2.264 10 0 CEAEHO CC(C)OCC[N@H+]1C[C@@](C)(C2CC2)NCC[C@@H]1C ZINC000085623471 179105450 /nfs/dbraw/zinc/10/54/50/179105450.db2.gz XEYGQQCRCXUMJF-ZFWWWQNUSA-N 1 3 254.418 2.264 10 0 CEAEHO C[C@H]1CCNC2(CCCC2)C[N@@H+]1CCCn1ccnc1 ZINC000085623132 179105632 /nfs/dbraw/zinc/10/56/32/179105632.db2.gz BHIYBFRBLOVXLM-HNNXBMFYSA-N 1 3 276.428 2.270 10 0 CEAEHO C[C@H]1CCNC2(CCCC2)C[N@H+]1CCCn1ccnc1 ZINC000085623132 179105634 /nfs/dbraw/zinc/10/56/34/179105634.db2.gz BHIYBFRBLOVXLM-HNNXBMFYSA-N 1 3 276.428 2.270 10 0 CEAEHO C[C@H]1CC[NH2+]C2(CCCC2)CN1CCCn1ccnc1 ZINC000085623132 179105636 /nfs/dbraw/zinc/10/56/36/179105636.db2.gz BHIYBFRBLOVXLM-HNNXBMFYSA-N 1 3 276.428 2.270 10 0 CEAEHO CC(C)OCCN1C[C@](C)(C2CC2)[NH2+]CC[C@@H]1C ZINC000085623468 179105763 /nfs/dbraw/zinc/10/57/63/179105763.db2.gz XEYGQQCRCXUMJF-DZGCQCFKSA-N 1 3 254.418 2.264 10 0 CEAEHO CC(C)OCC[N@@H+]1C[C@](C)(C2CC2)NCC[C@@H]1C ZINC000085623468 179105764 /nfs/dbraw/zinc/10/57/64/179105764.db2.gz XEYGQQCRCXUMJF-DZGCQCFKSA-N 1 3 254.418 2.264 10 0 CEAEHO CC(C)OCC[N@H+]1C[C@](C)(C2CC2)NCC[C@@H]1C ZINC000085623468 179105766 /nfs/dbraw/zinc/10/57/66/179105766.db2.gz XEYGQQCRCXUMJF-DZGCQCFKSA-N 1 3 254.418 2.264 10 0 CEAEHO CC[C@](C[NH3+])(C1CC1)N1CCN(C2CCCC2)CC1 ZINC000086120651 179234886 /nfs/dbraw/zinc/23/48/86/179234886.db2.gz PVZHDCOZPOIHRP-INIZCTEOSA-N 1 3 265.445 2.064 10 0 CEAEHO CC(C)[C@@H]1C[N@H+]([C@@H]2CCN(C3CC3)C2)[C@@H](C(C)C)CN1 ZINC000086173854 179244871 /nfs/dbraw/zinc/24/48/71/179244871.db2.gz JKPYZRJOSJDJCD-IXDOHACOSA-N 1 3 279.472 2.178 10 0 CEAEHO CC(C)[C@@H]1C[N@@H+]([C@@H]2CCN(C3CC3)C2)[C@@H](C(C)C)CN1 ZINC000086173854 179244873 /nfs/dbraw/zinc/24/48/73/179244873.db2.gz JKPYZRJOSJDJCD-IXDOHACOSA-N 1 3 279.472 2.178 10 0 CEAEHO CC(C)[C@@H]1CN([C@@H]2CCN(C3CC3)C2)[C@@H](C(C)C)C[NH2+]1 ZINC000086173854 179244874 /nfs/dbraw/zinc/24/48/74/179244874.db2.gz JKPYZRJOSJDJCD-IXDOHACOSA-N 1 3 279.472 2.178 10 0 CEAEHO CC[C@H]1CN[C@@H](C(C)C)C[N@@H+]1[C@@H]1CCCN(CC)C1 ZINC000086172524 179244883 /nfs/dbraw/zinc/24/48/83/179244883.db2.gz QGASANBRWDEDOY-ARFHVFGLSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1CN[C@@H](C(C)C)C[N@H+]1[C@@H]1CCCN(CC)C1 ZINC000086172524 179244884 /nfs/dbraw/zinc/24/48/84/179244884.db2.gz QGASANBRWDEDOY-ARFHVFGLSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1[C@@H]1CCCN(CC)C1 ZINC000086172524 179244885 /nfs/dbraw/zinc/24/48/85/179244885.db2.gz QGASANBRWDEDOY-ARFHVFGLSA-N 1 3 267.461 2.179 10 0 CEAEHO C[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1[C@@H]1CN2CCC1CC2 ZINC000086182592 179248125 /nfs/dbraw/zinc/24/81/25/179248125.db2.gz ODYSDKZAQFTGOT-ZTFGCOKTSA-N 1 3 291.483 2.323 10 0 CEAEHO CN1CC[C@@H](C[N@@H+]2CC(C)(C)NC[C@@H]2c2ccccc2)C1 ZINC000086223083 179250649 /nfs/dbraw/zinc/25/06/49/179250649.db2.gz RBUKQTNATPRKQF-NVXWUHKLSA-N 1 3 287.451 2.363 10 0 CEAEHO CN1CC[C@@H](C[N@H+]2CC(C)(C)NC[C@@H]2c2ccccc2)C1 ZINC000086223083 179250651 /nfs/dbraw/zinc/25/06/51/179250651.db2.gz RBUKQTNATPRKQF-NVXWUHKLSA-N 1 3 287.451 2.363 10 0 CEAEHO CC[C@@H]1CN[C@@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223136 179252207 /nfs/dbraw/zinc/25/22/07/179252207.db2.gz OCPPGAMPWPXDEJ-KBAYOESNSA-N 1 3 287.451 2.363 10 0 CEAEHO CC[C@@H]1CN[C@@H](c2ccccc2)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223136 179252208 /nfs/dbraw/zinc/25/22/08/179252208.db2.gz OCPPGAMPWPXDEJ-KBAYOESNSA-N 1 3 287.451 2.363 10 0 CEAEHO CCCN1CCC([N@@H+]2C[C@@H](C3CC3)NC[C@@H]2CC)CC1 ZINC000086227301 179254039 /nfs/dbraw/zinc/25/40/39/179254039.db2.gz BSFRKSSJVZUNPH-RDJZCZTQSA-N 1 3 279.472 2.323 10 0 CEAEHO CCCN1CCC([N@H+]2C[C@@H](C3CC3)NC[C@@H]2CC)CC1 ZINC000086227301 179254040 /nfs/dbraw/zinc/25/40/40/179254040.db2.gz BSFRKSSJVZUNPH-RDJZCZTQSA-N 1 3 279.472 2.323 10 0 CEAEHO C[C@H]1CN[C@@H](c2ccccc2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259586 179258527 /nfs/dbraw/zinc/25/85/27/179258527.db2.gz ZZWYFTQCNFYYNX-BMGDILEWSA-N 1 3 285.435 2.258 10 0 CEAEHO C[C@H]1CN[C@@H](c2ccccc2)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259586 179258528 /nfs/dbraw/zinc/25/85/28/179258528.db2.gz ZZWYFTQCNFYYNX-BMGDILEWSA-N 1 3 285.435 2.258 10 0 CEAEHO CC[C@]1(C)C[N@H+](CC2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086258993 179257263 /nfs/dbraw/zinc/25/72/63/179257263.db2.gz LPDYRJAWIIYSAG-DLBZAZTESA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@]1(C)C[N@@H+](CC2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086258993 179257264 /nfs/dbraw/zinc/25/72/64/179257264.db2.gz LPDYRJAWIIYSAG-DLBZAZTESA-N 1 3 281.488 2.427 10 0 CEAEHO C([C@@H]1CCCOC1)[N@@H+]1CCCNC2(CCCC2)C1 ZINC000086292469 179266588 /nfs/dbraw/zinc/26/65/88/179266588.db2.gz GXCAKXKXPSSHOM-AWEZNQCLSA-N 1 3 252.402 2.021 10 0 CEAEHO C([C@@H]1CCCOC1)[N@H+]1CCCNC2(CCCC2)C1 ZINC000086292469 179266589 /nfs/dbraw/zinc/26/65/89/179266589.db2.gz GXCAKXKXPSSHOM-AWEZNQCLSA-N 1 3 252.402 2.021 10 0 CEAEHO O[C@@H](CNCCc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000336844359 365918181 /nfs/dbraw/zinc/91/81/81/365918181.db2.gz ZGHHUILKUBXBCT-INIZCTEOSA-N 1 3 296.842 2.319 10 0 CEAEHO CCCC[N@H+](C1CC1)[C@]1(CN)CCCN(CC)CC1 ZINC000086847900 179357380 /nfs/dbraw/zinc/35/73/80/179357380.db2.gz LEJSSNBUHRYVSG-MRXNPFEDSA-N 1 3 267.461 2.454 10 0 CEAEHO CCCC[N@@H+](C1CC1)[C@]1(CN)CCCN(CC)CC1 ZINC000086847900 179357381 /nfs/dbraw/zinc/35/73/81/179357381.db2.gz LEJSSNBUHRYVSG-MRXNPFEDSA-N 1 3 267.461 2.454 10 0 CEAEHO CC(C)N1CCC[C@](CN)([N@H+](CC2CC2)C2CC2)CC1 ZINC000086848953 179357528 /nfs/dbraw/zinc/35/75/28/179357528.db2.gz IGWFWNPTDQESBI-KRWDZBQOSA-N 1 3 279.472 2.453 10 0 CEAEHO CC(C)N1CCC[C@](CN)([N@@H+](CC2CC2)C2CC2)CC1 ZINC000086848953 179357532 /nfs/dbraw/zinc/35/75/32/179357532.db2.gz IGWFWNPTDQESBI-KRWDZBQOSA-N 1 3 279.472 2.453 10 0 CEAEHO CCCN1CCC[C@](CN)([N@H+](C)C2CCCC2)CC1 ZINC000086846747 179354534 /nfs/dbraw/zinc/35/45/34/179354534.db2.gz JXYUUPBLNIZCQU-INIZCTEOSA-N 1 3 267.461 2.454 10 0 CEAEHO CCCN1CCC[C@](CN)([N@@H+](C)C2CCCC2)CC1 ZINC000086846747 179354536 /nfs/dbraw/zinc/35/45/36/179354536.db2.gz JXYUUPBLNIZCQU-INIZCTEOSA-N 1 3 267.461 2.454 10 0 CEAEHO CCC[N@H+](C1CC1)[C@@]1(CN)CCCN(CC)CC1 ZINC000086846791 179355174 /nfs/dbraw/zinc/35/51/74/179355174.db2.gz RENNYFFAWCUZMW-HNNXBMFYSA-N 1 3 253.434 2.064 10 0 CEAEHO CCC[N@@H+](C1CC1)[C@@]1(CN)CCCN(CC)CC1 ZINC000086846791 179355177 /nfs/dbraw/zinc/35/51/77/179355177.db2.gz RENNYFFAWCUZMW-HNNXBMFYSA-N 1 3 253.434 2.064 10 0 CEAEHO CC(C)N1CCC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000086845888 179355473 /nfs/dbraw/zinc/35/54/73/179355473.db2.gz RGKJJIILAWAHMX-JYJNAYRXSA-N 1 3 268.445 2.390 10 0 CEAEHO CCCN1CCC[C@@H]([NH2+]CC2CCOCC2)CC1 ZINC000086845065 179355592 /nfs/dbraw/zinc/35/55/92/179355592.db2.gz PECDTEZERZGLBR-OAHLLOKOSA-N 1 3 254.418 2.267 10 0 CEAEHO CCC[N@@H+]1CCC[C@](CC(=O)OCC)(N(C)C)CC1 ZINC000086868540 179360840 /nfs/dbraw/zinc/36/08/40/179360840.db2.gz GGADTYOWRWBUBH-HNNXBMFYSA-N 1 3 270.417 2.136 10 0 CEAEHO CCC[N@H+]1CCC[C@](CC(=O)OCC)(N(C)C)CC1 ZINC000086868540 179360842 /nfs/dbraw/zinc/36/08/42/179360842.db2.gz GGADTYOWRWBUBH-HNNXBMFYSA-N 1 3 270.417 2.136 10 0 CEAEHO CCCN1CCC[C@](CC(=O)OCC)([NH+](C)C)CC1 ZINC000086868540 179360844 /nfs/dbraw/zinc/36/08/44/179360844.db2.gz GGADTYOWRWBUBH-HNNXBMFYSA-N 1 3 270.417 2.136 10 0 CEAEHO C[N@H+](Cc1cccc(F)c1)[C@@]1(CN)CCCOCC1 ZINC000086874878 179364570 /nfs/dbraw/zinc/36/45/70/179364570.db2.gz KHZNFAXJDUWXSJ-HNNXBMFYSA-N 1 3 266.360 2.156 10 0 CEAEHO C[N@@H+](Cc1cccc(F)c1)[C@@]1(CN)CCCOCC1 ZINC000086874878 179364571 /nfs/dbraw/zinc/36/45/71/179364571.db2.gz KHZNFAXJDUWXSJ-HNNXBMFYSA-N 1 3 266.360 2.156 10 0 CEAEHO CCCN1CCN([C@]2(C[NH3+])CCC[C@@H](C)CC2)CC1 ZINC000086890464 179366525 /nfs/dbraw/zinc/36/65/25/179366525.db2.gz MPGGXKYQANDNQC-HZPDHXFCSA-N 1 3 267.461 2.312 10 0 CEAEHO CC[C@@H]1CCC[C@@](C[NH3+])(N(C)CCN(C)C)CC1 ZINC000086913659 179367008 /nfs/dbraw/zinc/36/70/08/179367008.db2.gz DUNMDIWITASUQK-HUUCEWRRSA-N 1 3 255.450 2.168 10 0 CEAEHO CC[C@@H]1CCC[C@@](CN)([N@H+](C)CCN(C)C)CC1 ZINC000086913659 179367009 /nfs/dbraw/zinc/36/70/09/179367009.db2.gz DUNMDIWITASUQK-HUUCEWRRSA-N 1 3 255.450 2.168 10 0 CEAEHO CC[C@@H]1CCC[C@@](CN)([N@@H+](C)CCN(C)C)CC1 ZINC000086913659 179367011 /nfs/dbraw/zinc/36/70/11/179367011.db2.gz DUNMDIWITASUQK-HUUCEWRRSA-N 1 3 255.450 2.168 10 0 CEAEHO CCN[C@@H](C)c1cnc(N(C)CCC[NH+](C)C)s1 ZINC000104198377 185926368 /nfs/dbraw/zinc/92/63/68/185926368.db2.gz LUKUCEUKGNIZAS-NSHDSACASA-N 1 3 270.446 2.202 10 0 CEAEHO CN(C)Cc1cccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089452247 539717155 /nfs/dbraw/zinc/71/71/55/539717155.db2.gz JHHWGKCJUFZYMQ-DZGCQCFKSA-N 1 3 275.396 2.062 10 0 CEAEHO C[C@H](N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400342604 233176682 /nfs/dbraw/zinc/17/66/82/233176682.db2.gz JDXFSBWLHGIFLG-JQHSSLGASA-N 1 3 287.451 2.239 10 0 CEAEHO FC(F)(F)COCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCNC1 ZINC000090693619 180026134 /nfs/dbraw/zinc/02/61/34/180026134.db2.gz JRYMASDUPVIEKG-OLZOCXBDSA-N 1 3 294.361 2.419 10 0 CEAEHO FC(F)(F)COCCC[N@H+]1CCC[C@H]1[C@@H]1CCCNC1 ZINC000090693619 180026136 /nfs/dbraw/zinc/02/61/36/180026136.db2.gz JRYMASDUPVIEKG-OLZOCXBDSA-N 1 3 294.361 2.419 10 0 CEAEHO [NH3+]C[C@@H](CNCCc1cscn1)c1ccccc1 ZINC000104443793 186004315 /nfs/dbraw/zinc/00/43/15/186004315.db2.gz NNRLJJGQCPATDC-ZDUSSCGKSA-N 1 3 261.394 2.018 10 0 CEAEHO CC(C)[C@@H]1CCCN1Cc1csc(CC[NH3+])n1 ZINC000090958816 180075719 /nfs/dbraw/zinc/07/57/19/180075719.db2.gz UZOKNVNSQCMOBM-LBPRGKRZSA-N 1 3 253.415 2.265 10 0 CEAEHO CC(C)C[NH2+]Cc1cnn(CCN(C)C)c1C(F)F ZINC000091338594 180136612 /nfs/dbraw/zinc/13/66/12/180136612.db2.gz QEGFHVCRBWHIPG-UHFFFAOYSA-N 1 3 274.359 2.128 10 0 CEAEHO C(C1CC1)N1CCN(C[C@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000091362506 180141505 /nfs/dbraw/zinc/14/15/05/180141505.db2.gz OPSMCMCJSXYMTB-KURKYZTESA-N 1 3 291.483 2.325 10 0 CEAEHO CCC[NH2+]CC(CC)(CC)CN(C)CC1CC(O)C1 ZINC000091489590 180168966 /nfs/dbraw/zinc/16/89/66/180168966.db2.gz NLQHZHLIHXQIMS-UHFFFAOYSA-N 1 3 270.461 2.495 10 0 CEAEHO CC[C@](C)(C[NH2+]CC(C)C)CN(C)CC1CC(O)C1 ZINC000091491163 180169732 /nfs/dbraw/zinc/16/97/32/180169732.db2.gz XEUIGJCXSBSOQP-UYSNPLJNSA-N 1 3 270.461 2.351 10 0 CEAEHO C[NH2+]CC1(CN(C)CC2CC(O)C2)CCCCCC1 ZINC000091490764 180170146 /nfs/dbraw/zinc/17/01/46/180170146.db2.gz NDFIHXXJWFZAND-UHFFFAOYSA-N 1 3 268.445 2.249 10 0 CEAEHO CNCC1(C[N@H+](C)CC2CC(O)C2)CCCCCC1 ZINC000091490764 180170148 /nfs/dbraw/zinc/17/01/48/180170148.db2.gz NDFIHXXJWFZAND-UHFFFAOYSA-N 1 3 268.445 2.249 10 0 CEAEHO CNCC1(C[N@@H+](C)CC2CC(O)C2)CCCCCC1 ZINC000091490764 180170151 /nfs/dbraw/zinc/17/01/51/180170151.db2.gz NDFIHXXJWFZAND-UHFFFAOYSA-N 1 3 268.445 2.249 10 0 CEAEHO CCC[NH2+][C@H](C)C(C)(C)CN1CCN(CCC)CC1 ZINC000091402260 180147417 /nfs/dbraw/zinc/14/74/17/180147417.db2.gz SRPUMYRBFHHFJX-OAHLLOKOSA-N 1 3 269.477 2.428 10 0 CEAEHO CCC(CC)([C@H]([NH2+]C)[C@@H]1CCOC1)N1CCCC1 ZINC000091635070 180210973 /nfs/dbraw/zinc/21/09/73/180210973.db2.gz ZJPDSAWEYIUWRM-ZIAGYGMSSA-N 1 3 254.418 2.266 10 0 CEAEHO CCC[NH2+][C@@H](CCN(CC)CC)Cc1cc(C)nn1C ZINC000091716900 180232061 /nfs/dbraw/zinc/23/20/61/180232061.db2.gz CSHNOXCUXWGBHD-HNNXBMFYSA-N 1 3 280.460 2.371 10 0 CEAEHO CCCN[C@@H](CC[NH+](CC)CC)Cc1cc(C)nn1C ZINC000091716900 180232062 /nfs/dbraw/zinc/23/20/62/180232062.db2.gz CSHNOXCUXWGBHD-HNNXBMFYSA-N 1 3 280.460 2.371 10 0 CEAEHO CCCN[C@H](CC[NH+](CC)CC)Cc1ncnn1CCC ZINC000091716983 180232572 /nfs/dbraw/zinc/23/25/72/180232572.db2.gz OGLAHCAVEUGACW-OAHLLOKOSA-N 1 3 295.475 2.331 10 0 CEAEHO CCC[NH2+][C@H](CCN(CC)CC)Cc1ncnn1CCC ZINC000091716983 180232575 /nfs/dbraw/zinc/23/25/75/180232575.db2.gz OGLAHCAVEUGACW-OAHLLOKOSA-N 1 3 295.475 2.331 10 0 CEAEHO C[NH2+]C1CCC([N@H+](C)Cc2nc(C)ccc2[O-])CC1 ZINC000091996247 180302163 /nfs/dbraw/zinc/30/21/63/180302163.db2.gz GJIAZFFKAPLNSG-UHFFFAOYSA-N 1 3 263.385 2.058 10 0 CEAEHO C[NH2+]C1CCC([N@@H+](C)Cc2nc(C)ccc2[O-])CC1 ZINC000091996247 180302164 /nfs/dbraw/zinc/30/21/64/180302164.db2.gz GJIAZFFKAPLNSG-UHFFFAOYSA-N 1 3 263.385 2.058 10 0 CEAEHO CC[N@H+](C[C@@H]1COc2ccccc21)C1CCNCC1 ZINC000092304388 180359647 /nfs/dbraw/zinc/35/96/47/180359647.db2.gz AOJWMQKURVKJMS-CYBMUJFWSA-N 1 3 260.381 2.237 10 0 CEAEHO CC[N@@H+](C[C@@H]1COc2ccccc21)C1CCNCC1 ZINC000092304388 180359648 /nfs/dbraw/zinc/35/96/48/180359648.db2.gz AOJWMQKURVKJMS-CYBMUJFWSA-N 1 3 260.381 2.237 10 0 CEAEHO CC[C@H](c1nc(CCN(CC)CC)no1)[C@@H](C)[NH2+]C ZINC000109496123 186256735 /nfs/dbraw/zinc/25/67/35/186256735.db2.gz GGOKOQGZIDBTEP-NEPJUHHUSA-N 1 3 268.405 2.055 10 0 CEAEHO C[C@@H]([NH3+])c1cc(F)ccc1N(C)[C@H]1CCCN(C)C1 ZINC000109571546 186264478 /nfs/dbraw/zinc/26/44/78/186264478.db2.gz XIBONBFRYYWFHH-YPMHNXCESA-N 1 3 265.376 2.376 10 0 CEAEHO CC[NH2+]Cc1sc(N2CC[C@H](N3CCCC3)C2)nc1C ZINC000110275607 186289359 /nfs/dbraw/zinc/28/93/59/186289359.db2.gz PSZNACMKKZYPGV-ZDUSSCGKSA-N 1 3 294.468 2.236 10 0 CEAEHO COc1ccc([C@H](C)[NH3+])cc1CN1CCN(C)C(C)(C)C1 ZINC000110716948 186315270 /nfs/dbraw/zinc/31/52/70/186315270.db2.gz AEVBDDHLAKYACG-ZDUSSCGKSA-N 1 3 291.439 2.241 10 0 CEAEHO Cc1ccc([C@H]([NH3+])CN2CCN(C)C(C)(C)C2)c(C)c1 ZINC000110716543 186316137 /nfs/dbraw/zinc/31/61/37/186316137.db2.gz LCYQNLKMXQNNNF-MRXNPFEDSA-N 1 3 275.440 2.329 10 0 CEAEHO CCOc1ccc([C@@H]([NH3+])CN2CCN(C)[C@@H](CC)C2)cc1 ZINC000110715504 186316260 /nfs/dbraw/zinc/31/62/60/186316260.db2.gz SQKAPPTWWNLJRV-RDJZCZTQSA-N 1 3 291.439 2.111 10 0 CEAEHO CCCC(C[NH3+])(CCC)N1CCN(C)C(C)(C)C1 ZINC000110712038 186316280 /nfs/dbraw/zinc/31/62/80/186316280.db2.gz MXNDOXAJPBZHJS-UHFFFAOYSA-N 1 3 255.450 2.310 10 0 CEAEHO Cc1ccc([C@H](C[NH3+])N2CCN(C)C(C)(C)C2)c(C)c1 ZINC000110712171 186316487 /nfs/dbraw/zinc/31/64/87/186316487.db2.gz YTKYYAOITCHZKH-INIZCTEOSA-N 1 3 275.440 2.329 10 0 CEAEHO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1CN1CCN(C)C(C)(C)C1 ZINC000110746826 186319828 /nfs/dbraw/zinc/31/98/28/186319828.db2.gz SMOUGKHKCCYQBY-OAGGEKHMSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[NH2+]CC(CC)(CC)CN1CCN(C)C(C)(C)C1 ZINC000110747360 186320769 /nfs/dbraw/zinc/32/07/69/186320769.db2.gz AYFBABOBWMOOPW-UHFFFAOYSA-N 1 3 269.477 2.428 10 0 CEAEHO CNCc1c(Cl)cccc1N(C)CC[NH+](C)C ZINC000111140402 186357068 /nfs/dbraw/zinc/35/70/68/186357068.db2.gz DOTSJCNPSTYZCS-UHFFFAOYSA-N 1 3 255.793 2.057 10 0 CEAEHO CN(C)CCN(C)CC[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000111147074 186359576 /nfs/dbraw/zinc/35/95/76/186359576.db2.gz KZYXBCLKWKQVNU-CQSZACIVSA-N 1 3 269.820 2.223 10 0 CEAEHO CC(C)[C@@H]1CC[C@H](O)[C@H](N(C)CCC[NH+](C)C)C1 ZINC000111143999 186359613 /nfs/dbraw/zinc/35/96/13/186359613.db2.gz WKOXUNIHNCFCPG-KFWWJZLASA-N 1 3 256.434 2.056 10 0 CEAEHO CC(C)C[NH2+]C[C@@H](C)CN(C)C[C@@H]1CCCOC1 ZINC000111175113 186365885 /nfs/dbraw/zinc/36/58/85/186365885.db2.gz FFYVCFINDDJRBM-CABCVRRESA-N 1 3 256.434 2.227 10 0 CEAEHO CCC[NH2+]C[C@@]1(CN2CCC[C@@H]2C)CCCOC1 ZINC000111323364 186396997 /nfs/dbraw/zinc/39/69/97/186396997.db2.gz FGMYCRPBGZVBMF-LSDHHAIUSA-N 1 3 254.418 2.267 10 0 CEAEHO CCC[NH2+]C[C@@]1(CN2CCCC[C@@H]2CCO)CCCOC1 ZINC000111324387 186397115 /nfs/dbraw/zinc/39/71/15/186397115.db2.gz ZNKCISQGOYATEE-IAGOWNOFSA-N 1 3 298.471 2.020 10 0 CEAEHO [NH3+]C[C@H]([C@@H]1CCCOC1)N1CCCc2ccccc2C1 ZINC000111321253 186397224 /nfs/dbraw/zinc/39/72/24/186397224.db2.gz CHIPBBBWLACGJF-IAGOWNOFSA-N 1 3 274.408 2.189 10 0 CEAEHO CC1(C)CCC[N@@H+]1C[C@]1(CNC2CC2)CCCOC1 ZINC000111329497 186399982 /nfs/dbraw/zinc/39/99/82/186399982.db2.gz IDEJECLGNJIVHP-MRXNPFEDSA-N 1 3 266.429 2.410 10 0 CEAEHO CC1(C)CCC[N@H+]1C[C@]1(CNC2CC2)CCCOC1 ZINC000111329497 186399984 /nfs/dbraw/zinc/39/99/84/186399984.db2.gz IDEJECLGNJIVHP-MRXNPFEDSA-N 1 3 266.429 2.410 10 0 CEAEHO Cc1nc2ccccc2n1CCN[C@H]1CCC[NH2+]CC1 ZINC000133592530 366238295 /nfs/dbraw/zinc/23/82/95/366238295.db2.gz AIIYTZRPRBBEFP-AWEZNQCLSA-N 1 3 272.396 2.076 10 0 CEAEHO Cc1nc2ccccc2n1CC[NH2+][C@H]1CCCNCC1 ZINC000133592530 366238298 /nfs/dbraw/zinc/23/82/98/366238298.db2.gz AIIYTZRPRBBEFP-AWEZNQCLSA-N 1 3 272.396 2.076 10 0 CEAEHO CC(C)CN1CCC[C@@H]1C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000181655672 368480199 /nfs/dbraw/zinc/48/01/99/368480199.db2.gz ZRAXFRVIMSXOKE-BZUAXINKSA-N 1 3 267.461 2.179 10 0 CEAEHO CCN1CCC[C@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000221715932 370243228 /nfs/dbraw/zinc/24/32/28/370243228.db2.gz CKKXSOFANOKPTB-JKSUJKDBSA-N 1 3 289.423 2.067 10 0 CEAEHO COc1cccc([C@H](C)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261579384 371659815 /nfs/dbraw/zinc/65/98/15/371659815.db2.gz DTURRIKELYQHGP-YUDUHTQSSA-N 1 3 260.381 2.425 10 0 CEAEHO CCCN1CCN([C@H](C)[C@H](C)C[NH2+]C(C)C)CC1 ZINC000093068575 184645956 /nfs/dbraw/zinc/64/59/56/184645956.db2.gz LRBBHQNBJFGGMI-HUUCEWRRSA-N 1 3 255.450 2.037 10 0 CEAEHO CCCN1CCN([C@]2(C[NH3+])CCC[C@@H](C3CC3)C2)CC1 ZINC000081640430 177834842 /nfs/dbraw/zinc/83/48/42/177834842.db2.gz VQXJRZSLZHWBIH-IAGOWNOFSA-N 1 3 279.472 2.312 10 0 CEAEHO C[NH+](C)[C@@H]1CCCN(c2nc3ccccc3cc2CN)C1 ZINC000091394092 135069117 /nfs/dbraw/zinc/06/91/17/135069117.db2.gz ONLPPMCWODVQFE-OAHLLOKOSA-N 1 3 284.407 2.224 10 0 CEAEHO [NH3+][C@H]1C=C[C@H](CN2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000092208901 135075909 /nfs/dbraw/zinc/07/59/09/135075909.db2.gz HSCUFMJABQSVQB-ZFWWWQNUSA-N 1 3 291.826 2.365 10 0 CEAEHO Cc1cccc(N2CCN(C[C@@H]3C=C[C@@H]([NH3+])C3)CC2)c1 ZINC000092208893 135075934 /nfs/dbraw/zinc/07/59/34/135075934.db2.gz BXLJSODLCJFMKR-HZPDHXFCSA-N 1 3 271.408 2.020 10 0 CEAEHO [NH3+][C@@H]1CCC[C@H]1CCN1CCN(c2ccccc2)CC1 ZINC000093551575 135081526 /nfs/dbraw/zinc/08/15/26/135081526.db2.gz SUJFKORTSBVGFC-DOTOQJQBSA-N 1 3 273.424 2.326 10 0 CEAEHO C[C@@H]1CN2CCCC[C@@H]2CN1c1ccc(CC[NH3+])cc1F ZINC000094444591 135088873 /nfs/dbraw/zinc/08/88/73/135088873.db2.gz OGHXISKTPZTEQZ-UKRRQHHQSA-N 1 3 291.414 2.390 10 0 CEAEHO C[C@@H]1CCN(C2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000306791382 394517947 /nfs/dbraw/zinc/51/79/47/394517947.db2.gz XNEOXBOWOWJSRU-MRXNPFEDSA-N 1 3 287.451 2.335 10 0 CEAEHO Cc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2n1 ZINC000090323079 394655084 /nfs/dbraw/zinc/65/50/84/394655084.db2.gz HECHDCYQXLFXGK-BETUJISGSA-N 1 3 253.349 2.199 10 0 CEAEHO CC[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000119106685 394763849 /nfs/dbraw/zinc/76/38/49/394763849.db2.gz RIYMBXMIWBPCFY-LZWOXQAQSA-N 1 3 268.445 2.390 10 0 CEAEHO CC[C@](C)(O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000119106685 394763852 /nfs/dbraw/zinc/76/38/52/394763852.db2.gz RIYMBXMIWBPCFY-LZWOXQAQSA-N 1 3 268.445 2.390 10 0 CEAEHO CC[C@](C)(O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000119106685 394763855 /nfs/dbraw/zinc/76/38/55/394763855.db2.gz RIYMBXMIWBPCFY-LZWOXQAQSA-N 1 3 268.445 2.390 10 0 CEAEHO C[C@H](NCCOCC1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000574069937 395626006 /nfs/dbraw/zinc/62/60/06/395626006.db2.gz DQJRKSAIJYVTKS-ZFWWWQNUSA-N 1 3 254.418 2.171 10 0 CEAEHO C[C@H]([NH2+]CCOCC1CCCC1)[C@H]1CCCNC1 ZINC000574069937 395626007 /nfs/dbraw/zinc/62/60/07/395626007.db2.gz DQJRKSAIJYVTKS-ZFWWWQNUSA-N 1 3 254.418 2.171 10 0 CEAEHO Cc1cnn(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000261648732 153798530 /nfs/dbraw/zinc/79/85/30/153798530.db2.gz QJNRDQBZCSBOOG-ARFHVFGLSA-N 1 3 276.428 2.092 10 0 CEAEHO CCOc1ccc(OCCN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261790678 153839169 /nfs/dbraw/zinc/83/91/69/153839169.db2.gz XRYKCXUINUDMQV-XKQJLSEDSA-N 1 3 290.407 2.133 10 0 CEAEHO CC[C@@H](C)C[C@@](CC)(CN)[N@@H+]1CCCN(C)CC1 ZINC000020217717 171080484 /nfs/dbraw/zinc/08/04/84/171080484.db2.gz CBYXFOQSWRYYQD-CABCVRRESA-N 1 3 255.450 2.168 10 0 CEAEHO CC[C@@H](C)C[C@@](CC)(CN)[N@H+]1CCCN(C)CC1 ZINC000020217717 171080488 /nfs/dbraw/zinc/08/04/88/171080488.db2.gz CBYXFOQSWRYYQD-CABCVRRESA-N 1 3 255.450 2.168 10 0 CEAEHO Cc1ccc([C@@H]([C@H](C)N)N2CCC([NH+](C)C)CC2)o1 ZINC000043364374 175024490 /nfs/dbraw/zinc/02/44/90/175024490.db2.gz PNIGWRCDUFUCMQ-SWLSCSKDSA-N 1 3 265.401 2.002 10 0 CEAEHO Cc1cc(C)cc([C@@H](CN)N2CCC([NH+](C)C)CC2)c1 ZINC000043394177 175035036 /nfs/dbraw/zinc/03/50/36/175035036.db2.gz JILOHXISOJVHOM-QGZVFWFLSA-N 1 3 275.440 2.329 10 0 CEAEHO CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CCCN(C)CC1 ZINC000043818515 175112850 /nfs/dbraw/zinc/11/28/50/175112850.db2.gz VNROVPZVNPUKOT-XHSDSOJGSA-N 1 3 267.461 2.181 10 0 CEAEHO C[NH2+][C@H](CN1CCN(CC2CC2)CC1)c1ccc(C)cc1 ZINC000043967827 175129084 /nfs/dbraw/zinc/12/90/84/175129084.db2.gz OWLZPGZBNCKLON-GOSISDBHSA-N 1 3 287.451 2.283 10 0 CEAEHO CCO[C@H]1CCCN(Cc2ccc(F)cc2C[NH3+])C1 ZINC000071263441 176096435 /nfs/dbraw/zinc/09/64/35/176096435.db2.gz OZSBSIYMIROJLL-HNNXBMFYSA-N 1 3 266.360 2.285 10 0 CEAEHO [NH3+][C@H]1CCC[C@@H](N2CCN(Cc3ccccc3)CC2)C1 ZINC000071613647 176233363 /nfs/dbraw/zinc/23/33/63/176233363.db2.gz OLPLSJBZHSPNJI-DLBZAZTESA-N 1 3 273.424 2.074 10 0 CEAEHO CN(CCC(=O)Nc1ccccc1F)[C@H]1CCC[NH2+]CC1 ZINC000231670194 270314398 /nfs/dbraw/zinc/31/43/98/270314398.db2.gz IXWOIHFAIPYBNF-ZDUSSCGKSA-N 1 3 293.386 2.228 10 0 CEAEHO CC1(C)[C@@H](O)C[C@@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000336314853 276160227 /nfs/dbraw/zinc/16/02/27/276160227.db2.gz FEKVLIHMRZZICB-GJZGRUSLSA-N 1 3 266.429 2.142 10 0 CEAEHO CC1(C)[C@@H](O)C[C@@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000336314853 276160228 /nfs/dbraw/zinc/16/02/28/276160228.db2.gz FEKVLIHMRZZICB-GJZGRUSLSA-N 1 3 266.429 2.142 10 0 CEAEHO CN1c2ccccc2[C@@H](NCCCC[NH+](C)C)CC1=O ZINC000045664159 276783709 /nfs/dbraw/zinc/78/37/09/276783709.db2.gz SFQRIMWZHARRRR-AWEZNQCLSA-N 1 3 275.396 2.026 10 0 CEAEHO CCC[C@H](C(=O)NCCC[N@H+](C)C1CCCCC1)N(C)C ZINC000134961084 280033700 /nfs/dbraw/zinc/03/37/00/280033700.db2.gz LESZEEYYOSRWGN-MRXNPFEDSA-N 1 3 297.487 2.488 10 0 CEAEHO CCC[C@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)N(C)C ZINC000134961084 280033704 /nfs/dbraw/zinc/03/37/04/280033704.db2.gz LESZEEYYOSRWGN-MRXNPFEDSA-N 1 3 297.487 2.488 10 0 CEAEHO O[C@@H]1CCCC[C@@H]1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000250978759 280422791 /nfs/dbraw/zinc/42/27/91/280422791.db2.gz BCNGRVUWEZIURC-LYYZXLFJSA-N 1 3 266.429 2.048 10 0 CEAEHO CCC[NH2+]C[C@@H](CC)N1CCN([C@H](C)CC)CC1 ZINC000055074600 519921129 /nfs/dbraw/zinc/92/11/29/519921129.db2.gz BMVLWHBCWUFUKJ-HUUCEWRRSA-N 1 3 255.450 2.181 10 0 CEAEHO CCC[C@@](C)(C[NH2+]C)CN1CCN(CC(C)C)CC1 ZINC000055081677 520909380 /nfs/dbraw/zinc/90/93/80/520909380.db2.gz SSQYNDTVHDEOHO-INIZCTEOSA-N 1 3 269.477 2.286 10 0 CEAEHO CCCN(CCN(C)C)c1nc(C)c(C[NH2+]CC)s1 ZINC000055000579 521658466 /nfs/dbraw/zinc/65/84/66/521658466.db2.gz OLVPPZLQTLBCPZ-UHFFFAOYSA-N 1 3 284.473 2.339 10 0 CEAEHO C[NH2+]Cc1cc(CN2CCN(CC(C)C)CC2)oc1C ZINC000055082746 522108483 /nfs/dbraw/zinc/10/84/83/522108483.db2.gz QVGNXKATCNNAIS-UHFFFAOYSA-N 1 3 279.428 2.081 10 0 CEAEHO CC[C@@H](C)N1CCN(CC[NH2+]C2CCCCC2)CC1 ZINC000055075143 522121663 /nfs/dbraw/zinc/12/16/63/522121663.db2.gz WCNHHDJLVLMJIK-OAHLLOKOSA-N 1 3 267.461 2.325 10 0 CEAEHO C[NH2+][C@@H]1CCCC[C@@H]1CN1CCN(CC(C)C)CC1 ZINC000055082088 522376693 /nfs/dbraw/zinc/37/66/93/522376693.db2.gz VLJSJYWLVMIROR-HZPDHXFCSA-N 1 3 267.461 2.038 10 0 CEAEHO CC(C)(C)[NH2+]C[C@H]1CC[C@H](COCCN2CCCCC2)O1 ZINC000052671055 518762276 /nfs/dbraw/zinc/76/22/76/518762276.db2.gz RUMCICDBXLFXQT-HZPDHXFCSA-N 1 3 298.471 2.425 10 0 CEAEHO CC(C)C[C@H](CN(C)C)[NH2+]CCCN1CCCC1 ZINC000049555570 519340521 /nfs/dbraw/zinc/34/05/21/519340521.db2.gz SICQDTUEZRVOPU-OAHLLOKOSA-N 1 3 255.450 2.038 10 0 CEAEHO CC(C)CN1CCN([C@@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000055077563 519727369 /nfs/dbraw/zinc/72/73/69/519727369.db2.gz CBBJEKZAXYQOER-HZPDHXFCSA-N 1 3 267.461 2.168 10 0 CEAEHO CC(C)CN1CCN(c2ccc(C[NH2+]C(C)C)cn2)CC1 ZINC000055082487 519728399 /nfs/dbraw/zinc/72/83/99/519728399.db2.gz QLOLEQFCPPEPBH-UHFFFAOYSA-N 1 3 290.455 2.358 10 0 CEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)CCC1CCC([NH3+])CC1 ZINC000055138102 519775142 /nfs/dbraw/zinc/77/51/42/519775142.db2.gz JGCFGCDBGMIDGQ-GPANFISMSA-N 1 3 297.487 2.377 10 0 CEAEHO CCCN1CCC(CN)([N@@H+]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000050563974 519842379 /nfs/dbraw/zinc/84/23/79/519842379.db2.gz XVXDKVPDMNZEPU-GJZGRUSLSA-N 1 3 267.461 2.310 10 0 CEAEHO CCCN1CCC(CN)([N@H+]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000050563974 519842380 /nfs/dbraw/zinc/84/23/80/519842380.db2.gz XVXDKVPDMNZEPU-GJZGRUSLSA-N 1 3 267.461 2.310 10 0 CEAEHO CCNCC1(C[N@H+](CC)CC(C)C)CCOCC1 ZINC000052181220 519912796 /nfs/dbraw/zinc/91/27/96/519912796.db2.gz GDHJDLWQGCAGFE-UHFFFAOYSA-N 1 3 256.434 2.371 10 0 CEAEHO CCNCC1(C[N@@H+](CC)CC(C)C)CCOCC1 ZINC000052181220 519912800 /nfs/dbraw/zinc/91/28/00/519912800.db2.gz GDHJDLWQGCAGFE-UHFFFAOYSA-N 1 3 256.434 2.371 10 0 CEAEHO CCC[NH2+]C[C@@H](CC)N1CCN(C2CCCC2)CC1 ZINC000052573463 519921364 /nfs/dbraw/zinc/92/13/64/519921364.db2.gz ITDOFRQZQBELLV-OAHLLOKOSA-N 1 3 267.461 2.325 10 0 CEAEHO CCC[NH2+]Cc1cc(N2CCN(C(C)C)CC2)ccn1 ZINC000051446101 519946844 /nfs/dbraw/zinc/94/68/44/519946844.db2.gz GZYBPNFDFNTYMY-UHFFFAOYSA-N 1 3 276.428 2.112 10 0 CEAEHO CC[NH2+]Cc1ccccc1CN1CCC(OC)CC1 ZINC000052455468 520005739 /nfs/dbraw/zinc/00/57/39/520005739.db2.gz KKRWIVRTYVWYJP-UHFFFAOYSA-N 1 3 262.397 2.407 10 0 CEAEHO CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1N1CCCN(C)CC1 ZINC000054554795 520120968 /nfs/dbraw/zinc/12/09/68/520120968.db2.gz NUUAFNNKODKQGB-ZACQAIPSSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[NH+](CC)CCc1nccc(CNCC(C)C)n1 ZINC000054792352 520713745 /nfs/dbraw/zinc/71/37/45/520713745.db2.gz XWAGDKCIUXWAPX-UHFFFAOYSA-N 1 3 264.417 2.107 10 0 CEAEHO CCC[C@@](C)(C[NH3+])CN1CCN([C@H](C)CC)CC1 ZINC000055072091 520909123 /nfs/dbraw/zinc/90/91/23/520909123.db2.gz NEOLEMJFEKEOFU-CABCVRRESA-N 1 3 255.450 2.168 10 0 CEAEHO CCC(CC)[NH2+]C[C@H](C)N1CCN(CC(C)C)CC1 ZINC000055075915 521596482 /nfs/dbraw/zinc/59/64/82/521596482.db2.gz QDPSDTIFAOTBNW-HNNXBMFYSA-N 1 3 269.477 2.427 10 0 CEAEHO CCOC1CCN(C[C@H]2CC[C@H](C[NH2+]C(C)C)O2)CC1 ZINC000052484088 521655894 /nfs/dbraw/zinc/65/58/94/521655894.db2.gz LANLARQSKYOCCU-HZPDHXFCSA-N 1 3 284.444 2.033 10 0 CEAEHO CCN1CCN(C[C@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054559454 521687382 /nfs/dbraw/zinc/68/73/82/521687382.db2.gz ZDLHGGDFHWONHB-OAGGEKHMSA-N 1 3 267.461 2.024 10 0 CEAEHO C[NH+](C)C[C@@H]1CCCN1c1cccc(Cl)c1CN ZINC000061641596 521844730 /nfs/dbraw/zinc/84/47/30/521844730.db2.gz QHNWRGROBNOXHW-NSHDSACASA-N 1 3 267.804 2.329 10 0 CEAEHO C[NH+](C)C[C@H]1CCCN1c1ccccc1CNC1CC1 ZINC000061646025 521874736 /nfs/dbraw/zinc/87/47/36/521874736.db2.gz OLGQBSFMVPQDKA-MRXNPFEDSA-N 1 3 273.424 2.469 10 0 CEAEHO C[NH2+]CC1(CN2CCN(CC(C)C)CC2)CCCC1 ZINC000055081776 521968563 /nfs/dbraw/zinc/96/85/63/521968563.db2.gz ABTIAFIYLLNUGI-UHFFFAOYSA-N 1 3 267.461 2.040 10 0 CEAEHO CC[C@@H](C)N1CCN(CC[NH2+]CCc2cccs2)CC1 ZINC000055075036 522120906 /nfs/dbraw/zinc/12/09/06/522120906.db2.gz DNRTZTORFGKRNM-OAHLLOKOSA-N 1 3 295.496 2.296 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C[NH2+]C2CC2)C(C)C)CC1 ZINC000055074478 522131027 /nfs/dbraw/zinc/13/10/27/522131027.db2.gz AQJKLJUBYVRJJV-GDBMZVCRSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H](C)[NH+]1CCN(c2ccc(Cl)c(CN)n2)CC1 ZINC000055073558 522135017 /nfs/dbraw/zinc/13/50/17/522135017.db2.gz PPAISBFWPPQEON-LLVKDONJSA-N 1 3 282.819 2.114 10 0 CEAEHO CC[C@H](C[NH2+]C(C)C)N1CCN(CC(C)C)CC1 ZINC000055083005 522192030 /nfs/dbraw/zinc/19/20/30/522192030.db2.gz DOJYSRRUDSKICX-OAHLLOKOSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[C@H](C[NH2+]C(C)C)N1CCN(C2CCCC2)CC1 ZINC000052573466 522192564 /nfs/dbraw/zinc/19/25/64/522192564.db2.gz XPRIAWFJBCEESK-OAHLLOKOSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@@H](C)[NH2+]C[C@H](C)N1CCN(CC(C)C)CC1 ZINC000055075905 522228730 /nfs/dbraw/zinc/22/87/30/522228730.db2.gz CYKROUVJHSLXJH-CABCVRRESA-N 1 3 255.450 2.037 10 0 CEAEHO C[NH2+][C@H](CN1CCN(CC(C)C)CC1)c1ccccc1 ZINC000055078920 522467903 /nfs/dbraw/zinc/46/79/03/522467903.db2.gz RGTFWNZHHVVXKY-QGZVFWFLSA-N 1 3 275.440 2.221 10 0 CEAEHO COCC[N@H+](C)CCNc1ccnc2ccccc21 ZINC000061379525 523617248 /nfs/dbraw/zinc/61/72/48/523617248.db2.gz NCZRSRLEEPXPED-UHFFFAOYSA-N 1 3 259.353 2.225 10 0 CEAEHO COCC[N@@H+](C)CCNc1ccnc2ccccc21 ZINC000061379525 523617253 /nfs/dbraw/zinc/61/72/53/523617253.db2.gz NCZRSRLEEPXPED-UHFFFAOYSA-N 1 3 259.353 2.225 10 0 CEAEHO CC[C@H](C)N1CCN(CC[NH2+]C(C)(C)CC)CC1 ZINC000055075106 523953092 /nfs/dbraw/zinc/95/30/92/523953092.db2.gz PRBXFJOMPCSNSN-AWEZNQCLSA-N 1 3 255.450 2.181 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C[NH2+]C2CC2)C(C)C)CC1 ZINC000055074482 523959186 /nfs/dbraw/zinc/95/91/86/523959186.db2.gz AQJKLJUBYVRJJV-GOEBONIOSA-N 1 3 267.461 2.179 10 0 CEAEHO CCc1ccc([C@H](CN)N2CCC[C@@H]2C[NH+](C)C)s1 ZINC000061642757 524048365 /nfs/dbraw/zinc/04/83/65/524048365.db2.gz BMJCBPRYOBFNFA-OCCSQVGLSA-N 1 3 281.469 2.336 10 0 CEAEHO Cc1cc([C@@H](CN)N2CCC([NH+](C)C)CC2)ccc1F ZINC000050546106 525481206 /nfs/dbraw/zinc/48/12/06/525481206.db2.gz VKGCBTIMQFKDFA-MRXNPFEDSA-N 1 3 279.403 2.160 10 0 CEAEHO NCc1sc(N2CC[C@H]([NH+]3CCCC3)C2)nc1C1CC1 ZINC000069182621 527268849 /nfs/dbraw/zinc/26/88/49/527268849.db2.gz MWBJIELBFVVJMZ-LBPRGKRZSA-N 1 3 292.452 2.154 10 0 CEAEHO Cc1nccn1CCN1CC[NH2+][C@@](C)(c2ccccc2)C1 ZINC000068693710 527427582 /nfs/dbraw/zinc/42/75/82/527427582.db2.gz OWJMVAVFIHUAFS-QGZVFWFLSA-N 1 3 284.407 2.012 10 0 CEAEHO CC(C)(C)[C@@H]1CCOC2(CC[NH+](C3CC3)CC2)N1 ZINC000757140409 622874769 /nfs/dbraw/zinc/87/47/69/622874769.db2.gz LXQSXQRKUPXCDA-ZDUSSCGKSA-N 1 3 252.402 2.366 10 0 CEAEHO CC(C)CC[N@H+](C1CC1)[C@]1(CN)CCCN(C)CC1 ZINC000096889379 185124223 /nfs/dbraw/zinc/12/42/23/185124223.db2.gz IABAVGNKDHOCFA-MRXNPFEDSA-N 1 3 267.461 2.310 10 0 CEAEHO CC(C)CC[N@@H+](C1CC1)[C@]1(CN)CCCN(C)CC1 ZINC000096889379 185124226 /nfs/dbraw/zinc/12/42/26/185124226.db2.gz IABAVGNKDHOCFA-MRXNPFEDSA-N 1 3 267.461 2.310 10 0 CEAEHO CCC1(CC)[C@H](NC[C@@H](O)C[NH+]2CCCCC2)C[C@H]1OC ZINC000245869411 539313141 /nfs/dbraw/zinc/31/31/41/539313141.db2.gz JDUQZKIGTCEBOC-BZUAXINKSA-N 1 3 298.471 2.017 10 0 CEAEHO c1ccc(CN2CCC[C@@H](N[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000133847818 232214029 /nfs/dbraw/zinc/21/40/29/232214029.db2.gz UTOCBQHCPAXJMO-QZTJIDSGSA-N 1 3 287.451 2.383 10 0 CEAEHO CCC1(CC)C[NH2+][C@@H](C2CC2)CN1CCn1ccnc1C ZINC000085528840 179091237 /nfs/dbraw/zinc/09/12/37/179091237.db2.gz KLUWOXAHOMBYGG-MRXNPFEDSA-N 1 3 290.455 2.434 10 0 CEAEHO CCC1(CC)CN(CCn2ccnc2C)CCC[NH2+]1 ZINC000085617444 179104285 /nfs/dbraw/zinc/10/42/85/179104285.db2.gz RZWRPTWUQQXGLZ-UHFFFAOYSA-N 1 3 264.417 2.046 10 0 CEAEHO CCC1(CC)C[N@H+](CCn2ccnc2C)CCCN1 ZINC000085617444 179104287 /nfs/dbraw/zinc/10/42/87/179104287.db2.gz RZWRPTWUQQXGLZ-UHFFFAOYSA-N 1 3 264.417 2.046 10 0 CEAEHO CCC1(CC)C[N@@H+](CCn2ccnc2C)CCCN1 ZINC000085617444 179104288 /nfs/dbraw/zinc/10/42/88/179104288.db2.gz RZWRPTWUQQXGLZ-UHFFFAOYSA-N 1 3 264.417 2.046 10 0 CEAEHO C[C@@H](C(=O)Nc1ccccc1C[NH3+])N1[C@@H](C)CC[C@@H]1C ZINC000085810300 179177353 /nfs/dbraw/zinc/17/73/53/179177353.db2.gz NOWVNCFNVKVNKQ-AVGNSLFASA-N 1 3 275.396 2.345 10 0 CEAEHO CN1CCCC[C@H]1CC[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085986003 179211701 /nfs/dbraw/zinc/21/17/01/179211701.db2.gz PJJHFVZIKHLDTE-KKUMJFAQSA-N 1 3 254.418 2.002 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@@H+](C2CCN(C)CC2)[C@@H](CC)CN1 ZINC000086153963 179241454 /nfs/dbraw/zinc/24/14/54/179241454.db2.gz ZDXYLNZSKYXPPC-DZKIICNBSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@H+](C2CCN(C)CC2)[C@@H](CC)CN1 ZINC000086153963 179241456 /nfs/dbraw/zinc/24/14/56/179241456.db2.gz ZDXYLNZSKYXPPC-DZKIICNBSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1CN[C@@H](CC(C)C)C[N@@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182731 179247390 /nfs/dbraw/zinc/24/73/90/179247390.db2.gz WDEUUCCBASSKTH-GVDBMIGSSA-N 1 3 279.472 2.179 10 0 CEAEHO CC[C@@H]1CN[C@@H](CC(C)C)C[N@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182731 179247391 /nfs/dbraw/zinc/24/73/91/179247391.db2.gz WDEUUCCBASSKTH-GVDBMIGSSA-N 1 3 279.472 2.179 10 0 CEAEHO C[C@@H]1CN[C@](C)(c2ccccc2)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223148 179251660 /nfs/dbraw/zinc/25/16/60/179251660.db2.gz NBFPUDZFMMRNHI-NUJGCVRESA-N 1 3 287.451 2.147 10 0 CEAEHO C[C@@H]1CN[C@](C)(c2ccccc2)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223148 179251661 /nfs/dbraw/zinc/25/16/61/179251661.db2.gz NBFPUDZFMMRNHI-NUJGCVRESA-N 1 3 287.451 2.147 10 0 CEAEHO CC(C)(C)[C@H]1C[N@H+](CCc2cccnc2)CCCN1 ZINC000086288739 179264824 /nfs/dbraw/zinc/26/48/24/179264824.db2.gz FPJLJEDRFVPGJN-OAHLLOKOSA-N 1 3 261.413 2.334 10 0 CEAEHO CC(C)(C)[C@H]1C[N@@H+](CCc2cccnc2)CCCN1 ZINC000086288739 179264825 /nfs/dbraw/zinc/26/48/25/179264825.db2.gz FPJLJEDRFVPGJN-OAHLLOKOSA-N 1 3 261.413 2.334 10 0 CEAEHO CC[C@@H]1CNC2(CCCC2)C[N@@H+]1[C@@H](C)CCN(C)C ZINC000086255870 179256914 /nfs/dbraw/zinc/25/69/14/179256914.db2.gz PKAZJXJEENDGQO-LSDHHAIUSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@@H]1CNC2(CCCC2)C[N@H+]1[C@@H](C)CCN(C)C ZINC000086255870 179256916 /nfs/dbraw/zinc/25/69/16/179256916.db2.gz PKAZJXJEENDGQO-LSDHHAIUSA-N 1 3 267.461 2.323 10 0 CEAEHO CC(C)[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259205 179257551 /nfs/dbraw/zinc/25/75/51/179257551.db2.gz ZFLSCRZRLAVYLQ-BPQIPLTHSA-N 1 3 293.499 2.427 10 0 CEAEHO CC(C)[C@@H]1CN[C@@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259205 179257552 /nfs/dbraw/zinc/25/75/52/179257552.db2.gz ZFLSCRZRLAVYLQ-BPQIPLTHSA-N 1 3 293.499 2.427 10 0 CEAEHO CO[C@H]1CCC[C@@H]1[N@@H+]1CCCNC2(CCCC2)C1 ZINC000086293535 179267703 /nfs/dbraw/zinc/26/77/03/179267703.db2.gz GDVFXJXNYGERHL-KBPBESRZSA-N 1 3 252.402 2.162 10 0 CEAEHO CO[C@H]1CCC[C@@H]1[N@H+]1CCCNC2(CCCC2)C1 ZINC000086293535 179267706 /nfs/dbraw/zinc/26/77/06/179267706.db2.gz GDVFXJXNYGERHL-KBPBESRZSA-N 1 3 252.402 2.162 10 0 CEAEHO CO[C@H]1CCC[C@@H]1N1CCC[NH2+]C2(CCCC2)C1 ZINC000086293535 179267708 /nfs/dbraw/zinc/26/77/08/179267708.db2.gz GDVFXJXNYGERHL-KBPBESRZSA-N 1 3 252.402 2.162 10 0 CEAEHO CO[C@H]1CCC[C@H]1[N@@H+]1CCCN[C@](C)(C2CC2)C1 ZINC000086293548 179268001 /nfs/dbraw/zinc/26/80/01/179268001.db2.gz DGYFHYMJVYPKDD-ILXRZTDVSA-N 1 3 252.402 2.018 10 0 CEAEHO CO[C@H]1CCC[C@H]1[N@H+]1CCCN[C@](C)(C2CC2)C1 ZINC000086293548 179268003 /nfs/dbraw/zinc/26/80/03/179268003.db2.gz DGYFHYMJVYPKDD-ILXRZTDVSA-N 1 3 252.402 2.018 10 0 CEAEHO CO[C@H]1CCC[C@H]1N1CCC[NH2+][C@](C)(C2CC2)C1 ZINC000086293548 179268004 /nfs/dbraw/zinc/26/80/04/179268004.db2.gz DGYFHYMJVYPKDD-ILXRZTDVSA-N 1 3 252.402 2.018 10 0 CEAEHO CN[C@@H]1CCCc2sc(N(C)CCC[NH+](C)C)nc21 ZINC000086444204 179293902 /nfs/dbraw/zinc/29/39/02/179293902.db2.gz GFCFONXEZZPTJY-LLVKDONJSA-N 1 3 282.457 2.128 10 0 CEAEHO CC[NH+](CC)[C@@H]1CCN(c2nc3c(s2)CCC[C@@H]3N)C1 ZINC000086444082 179294000 /nfs/dbraw/zinc/29/40/00/179294000.db2.gz XBXMALNLLDDBBE-NEPJUHHUSA-N 1 3 294.468 2.400 10 0 CEAEHO CCN[C@@H]1CCCc2sc(N(C)CC[NH+](C)C)nc21 ZINC000086444192 179294184 /nfs/dbraw/zinc/29/41/84/179294184.db2.gz KRGVEQOHQKQEGI-LLVKDONJSA-N 1 3 282.457 2.128 10 0 CEAEHO CN1CCC[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000086817226 179345063 /nfs/dbraw/zinc/34/50/63/179345063.db2.gz GRZHGVURSRMQLL-CQSZACIVSA-N 1 3 276.380 2.032 10 0 CEAEHO CCN1CCC[C@](CN)([N@H+](C)CC2CCCC2)CC1 ZINC000086848735 179356649 /nfs/dbraw/zinc/35/66/49/179356649.db2.gz QYIUCPSWTHYESY-INIZCTEOSA-N 1 3 267.461 2.312 10 0 CEAEHO CCN1CCC[C@](CN)([N@@H+](C)CC2CCCC2)CC1 ZINC000086848735 179356651 /nfs/dbraw/zinc/35/66/51/179356651.db2.gz QYIUCPSWTHYESY-INIZCTEOSA-N 1 3 267.461 2.312 10 0 CEAEHO CCCN1CCC[C@@H]([NH2+]CCc2ccncc2)CC1 ZINC000086840961 179353701 /nfs/dbraw/zinc/35/37/01/179353701.db2.gz JHQMJMUISODJRD-MRXNPFEDSA-N 1 3 261.413 2.478 10 0 CEAEHO CCC[N@@H+]1CCC[C@@H](NCCc2ccncc2)CC1 ZINC000086840961 179353702 /nfs/dbraw/zinc/35/37/02/179353702.db2.gz JHQMJMUISODJRD-MRXNPFEDSA-N 1 3 261.413 2.478 10 0 CEAEHO CCC[N@H+]1CCC[C@@H](NCCc2ccncc2)CC1 ZINC000086840961 179353704 /nfs/dbraw/zinc/35/37/04/179353704.db2.gz JHQMJMUISODJRD-MRXNPFEDSA-N 1 3 261.413 2.478 10 0 CEAEHO CC(C)N1CCC[C@@](CN)([N@H+](C)C2CCCC2)CC1 ZINC000086846733 179355694 /nfs/dbraw/zinc/35/56/94/179355694.db2.gz KGLLWVMXSNYLMD-MRXNPFEDSA-N 1 3 267.461 2.453 10 0 CEAEHO CC(C)N1CCC[C@@](CN)([N@@H+](C)C2CCCC2)CC1 ZINC000086846733 179355695 /nfs/dbraw/zinc/35/56/95/179355695.db2.gz KGLLWVMXSNYLMD-MRXNPFEDSA-N 1 3 267.461 2.453 10 0 CEAEHO CCN1CCC[C@@](CO)([NH2+]Cc2ccccc2)CC1 ZINC000086867913 179360981 /nfs/dbraw/zinc/36/09/81/179360981.db2.gz VTDREBWYDIBKKE-MRXNPFEDSA-N 1 3 262.397 2.013 10 0 CEAEHO CCN1CCC[C@@](CN)([N@@H+]2CCCC(C)(C)C2)CC1 ZINC000086848886 179357977 /nfs/dbraw/zinc/35/79/77/179357977.db2.gz IGHBEORIHQRFML-MRXNPFEDSA-N 1 3 267.461 2.312 10 0 CEAEHO CCN1CCC[C@@](CN)([N@H+]2CCCC(C)(C)C2)CC1 ZINC000086848886 179357979 /nfs/dbraw/zinc/35/79/79/179357979.db2.gz IGHBEORIHQRFML-MRXNPFEDSA-N 1 3 267.461 2.312 10 0 CEAEHO CCCN1CCC[C@H]([NH2+]CC2(O)CCCC2)CC1 ZINC000087016108 179380055 /nfs/dbraw/zinc/38/00/55/179380055.db2.gz CAMQJCJGAAOMAN-AWEZNQCLSA-N 1 3 254.418 2.146 10 0 CEAEHO CCC[N@@H+]1CCC[C@H](NCC2(O)CCCC2)CC1 ZINC000087016108 179380057 /nfs/dbraw/zinc/38/00/57/179380057.db2.gz CAMQJCJGAAOMAN-AWEZNQCLSA-N 1 3 254.418 2.146 10 0 CEAEHO CCC[N@H+]1CCC[C@H](NCC2(O)CCCC2)CC1 ZINC000087016108 179380059 /nfs/dbraw/zinc/38/00/59/179380059.db2.gz CAMQJCJGAAOMAN-AWEZNQCLSA-N 1 3 254.418 2.146 10 0 CEAEHO CCCN1CCC[C@@H]([NH2+]CC2(O)CCCC2)CC1 ZINC000087016110 179380131 /nfs/dbraw/zinc/38/01/31/179380131.db2.gz CAMQJCJGAAOMAN-CQSZACIVSA-N 1 3 254.418 2.146 10 0 CEAEHO CCC[N@@H+]1CCC[C@@H](NCC2(O)CCCC2)CC1 ZINC000087016110 179380134 /nfs/dbraw/zinc/38/01/34/179380134.db2.gz CAMQJCJGAAOMAN-CQSZACIVSA-N 1 3 254.418 2.146 10 0 CEAEHO CCC[N@H+]1CCC[C@@H](NCC2(O)CCCC2)CC1 ZINC000087016110 179380136 /nfs/dbraw/zinc/38/01/36/179380136.db2.gz CAMQJCJGAAOMAN-CQSZACIVSA-N 1 3 254.418 2.146 10 0 CEAEHO NC[C@@]1(C[NH+]2CCC3(CCCC3)CC2)CCCOC1 ZINC000104323202 185969353 /nfs/dbraw/zinc/96/93/53/185969353.db2.gz IGPUECGDPPACNF-MRXNPFEDSA-N 1 3 266.429 2.398 10 0 CEAEHO CCCN[C@@H]1COC[C@H]1C[NH2+]C1CCCCCC1 ZINC000090566254 180005589 /nfs/dbraw/zinc/00/55/89/180005589.db2.gz HQDCHPXOOOMKEK-UKRRQHHQSA-N 1 3 254.418 2.313 10 0 CEAEHO NC1(Cc2ccccc2OC(F)(F)F)CC[NH2+]CC1 ZINC000090587487 180009261 /nfs/dbraw/zinc/00/92/61/180009261.db2.gz KDSLZVOQRWPBKN-UHFFFAOYSA-N 1 3 274.286 2.209 10 0 CEAEHO [NH3+]C1(Cc2ccccc2OC(F)(F)F)CCNCC1 ZINC000090587487 180009263 /nfs/dbraw/zinc/00/92/63/180009263.db2.gz KDSLZVOQRWPBKN-UHFFFAOYSA-N 1 3 274.286 2.209 10 0 CEAEHO c1[nH]c2ncccc2c1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000091017016 180086788 /nfs/dbraw/zinc/08/67/88/180086788.db2.gz FCHSKCOSKKLJKG-GFCCVEGCSA-N 1 3 270.380 2.137 10 0 CEAEHO c1[nH]c2ncccc2c1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000091017016 180086790 /nfs/dbraw/zinc/08/67/90/180086790.db2.gz FCHSKCOSKKLJKG-GFCCVEGCSA-N 1 3 270.380 2.137 10 0 CEAEHO c1[nH]c2ncccc2c1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000091017016 180086792 /nfs/dbraw/zinc/08/67/92/180086792.db2.gz FCHSKCOSKKLJKG-GFCCVEGCSA-N 1 3 270.380 2.137 10 0 CEAEHO CN(C)[C@@H]1CCC[N@H+](Cc2c3ccccc3oc2CN)C1 ZINC000091431927 180153909 /nfs/dbraw/zinc/15/39/09/180153909.db2.gz PZHQFXMMOQJEBC-CYBMUJFWSA-N 1 3 287.407 2.418 10 0 CEAEHO CN(C)[C@@H]1CCC[N@@H+](Cc2c3ccccc3oc2CN)C1 ZINC000091431927 180153910 /nfs/dbraw/zinc/15/39/10/180153910.db2.gz PZHQFXMMOQJEBC-CYBMUJFWSA-N 1 3 287.407 2.418 10 0 CEAEHO CN(CC1CC(O)C1)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000091489781 180168734 /nfs/dbraw/zinc/16/87/34/180168734.db2.gz RIPMTDSZYHTXTE-ABSNHQIMSA-N 1 3 282.472 2.479 10 0 CEAEHO C[N@H+](CC1CC(O)C1)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1N ZINC000091489781 180168736 /nfs/dbraw/zinc/16/87/36/180168736.db2.gz RIPMTDSZYHTXTE-ABSNHQIMSA-N 1 3 282.472 2.479 10 0 CEAEHO C[N@@H+](CC1CC(O)C1)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1N ZINC000091489781 180168738 /nfs/dbraw/zinc/16/87/38/180168738.db2.gz RIPMTDSZYHTXTE-ABSNHQIMSA-N 1 3 282.472 2.479 10 0 CEAEHO CC[NH2+]CC(CC)(CC)CN(C)CC1CC(O)C1 ZINC000091489577 180169084 /nfs/dbraw/zinc/16/90/84/180169084.db2.gz HEXGHZMQZLLUCM-UHFFFAOYSA-N 1 3 256.434 2.105 10 0 CEAEHO CCNCC(CC)(CC)C[N@H+](C)CC1CC(O)C1 ZINC000091489577 180169087 /nfs/dbraw/zinc/16/90/87/180169087.db2.gz HEXGHZMQZLLUCM-UHFFFAOYSA-N 1 3 256.434 2.105 10 0 CEAEHO CCNCC(CC)(CC)C[N@@H+](C)CC1CC(O)C1 ZINC000091489577 180169089 /nfs/dbraw/zinc/16/90/89/180169089.db2.gz HEXGHZMQZLLUCM-UHFFFAOYSA-N 1 3 256.434 2.105 10 0 CEAEHO CN(CC1CC(O)C1)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000091489780 180169325 /nfs/dbraw/zinc/16/93/25/180169325.db2.gz RIPMTDSZYHTXTE-BJWPUDQFSA-N 1 3 282.472 2.479 10 0 CEAEHO C[N@H+](CC1CC(O)C1)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1N ZINC000091489780 180169327 /nfs/dbraw/zinc/16/93/27/180169327.db2.gz RIPMTDSZYHTXTE-BJWPUDQFSA-N 1 3 282.472 2.479 10 0 CEAEHO C[N@@H+](CC1CC(O)C1)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1N ZINC000091489780 180169329 /nfs/dbraw/zinc/16/93/29/180169329.db2.gz RIPMTDSZYHTXTE-BJWPUDQFSA-N 1 3 282.472 2.479 10 0 CEAEHO CCOc1ccccc1[C@H](CN)N1CCC[C@H]([NH+](C)C)C1 ZINC000091393895 180145610 /nfs/dbraw/zinc/14/56/10/180145610.db2.gz ZBRUQMNIVFIXJW-HOCLYGCPSA-N 1 3 291.439 2.111 10 0 CEAEHO CC[C@H](C)N1CCN(CC(C)(C)[C@H](C)[NH2+]C)CC1 ZINC000091404668 180147243 /nfs/dbraw/zinc/14/72/43/180147243.db2.gz PRKSOUSUYKABIU-KBPBESRZSA-N 1 3 255.450 2.037 10 0 CEAEHO CCC[NH2+][C@@H](C)C(C)(C)CN(CCCO)C(C)C ZINC000091404449 180147487 /nfs/dbraw/zinc/14/74/87/180147487.db2.gz JBRGBKDXEUXVNL-AWEZNQCLSA-N 1 3 258.450 2.494 10 0 CEAEHO CC[NH2+][C@@H](C)C(C)(C)CN(C)[C@@H]1CCCN(C)C1 ZINC000091404612 180147632 /nfs/dbraw/zinc/14/76/32/180147632.db2.gz VCGRTEZFQDQUAK-UONOGXRCSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[C@](C)([C@@H]([NH3+])Cc1ccnc(N)c1)N1CCCCC1 ZINC000091609004 180205998 /nfs/dbraw/zinc/20/59/98/180205998.db2.gz BEHQXPMGCVWSFK-GOEBONIOSA-N 1 3 276.428 2.188 10 0 CEAEHO CCN(CC)C1([C@H](Cc2cnccc2N)[NH2+]C)CCCC1 ZINC000091639460 180212153 /nfs/dbraw/zinc/21/21/53/180212153.db2.gz GJRFFBKBLHJZHD-INIZCTEOSA-N 1 3 290.455 2.449 10 0 CEAEHO CC[NH+](CC)C1([C@H](Cc2cnccc2N)NC)CCCC1 ZINC000091639460 180212155 /nfs/dbraw/zinc/21/21/55/180212155.db2.gz GJRFFBKBLHJZHD-INIZCTEOSA-N 1 3 290.455 2.449 10 0 CEAEHO C[C@H]1CCC[C@](C(=O)Cc2c[nH+]ccc2N)(N(C)C)C1 ZINC000091650335 180216553 /nfs/dbraw/zinc/21/65/53/180216553.db2.gz VZYFCEVRQGTGGM-LRDDRELGSA-N 1 3 275.396 2.286 10 0 CEAEHO Cc1ccc(C[C@H](N)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C ZINC000091720551 180236842 /nfs/dbraw/zinc/23/68/42/180236842.db2.gz PEILIJWRDLGPCX-IXDOHACOSA-N 1 3 274.408 2.036 10 0 CEAEHO Cc1ccc(C[C@H](N)[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1C ZINC000091720551 180236844 /nfs/dbraw/zinc/23/68/44/180236844.db2.gz PEILIJWRDLGPCX-IXDOHACOSA-N 1 3 274.408 2.036 10 0 CEAEHO N[C@H](Cc1ccc(F)cc1Cl)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720714 180237134 /nfs/dbraw/zinc/23/71/34/180237134.db2.gz ABOJJBXGTZELKL-YUELXQCFSA-N 1 3 298.789 2.212 10 0 CEAEHO N[C@H](Cc1ccc(F)cc1Cl)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720714 180237137 /nfs/dbraw/zinc/23/71/37/180237137.db2.gz ABOJJBXGTZELKL-YUELXQCFSA-N 1 3 298.789 2.212 10 0 CEAEHO CCN(CC(=O)Nc1ccccc1)C1CCC([NH3+])CC1 ZINC000091850760 180272341 /nfs/dbraw/zinc/27/23/41/180272341.db2.gz NRHSDKSEUIXRKT-UHFFFAOYSA-N 1 3 275.396 2.217 10 0 CEAEHO CC(C)NC[C@@]1(C[N@@H+]2C[C@H](C)[C@H](C)C2)CCCOC1 ZINC000092088486 180321005 /nfs/dbraw/zinc/32/10/05/180321005.db2.gz BJSMEKCWCJBVEQ-OWCLPIDISA-N 1 3 268.445 2.369 10 0 CEAEHO CC(C)NC[C@@]1(C[N@H+]2C[C@H](C)[C@H](C)C2)CCCOC1 ZINC000092088486 180321007 /nfs/dbraw/zinc/32/10/07/180321007.db2.gz BJSMEKCWCJBVEQ-OWCLPIDISA-N 1 3 268.445 2.369 10 0 CEAEHO CC(C)[NH2+]C[C@@]1(CN2C[C@H](C)[C@H](C)C2)CCCOC1 ZINC000092088486 180321009 /nfs/dbraw/zinc/32/10/09/180321009.db2.gz BJSMEKCWCJBVEQ-OWCLPIDISA-N 1 3 268.445 2.369 10 0 CEAEHO C[NH+](C)CCCNC[C@H]1Cc2ccccc2S1 ZINC000092242247 180351419 /nfs/dbraw/zinc/35/14/19/180351419.db2.gz DNFDUIFBQCWVNV-CYBMUJFWSA-N 1 3 250.411 2.245 10 0 CEAEHO CCCCC[C@@](C)(CN)[N@H+](C)C1CCN(C)CC1 ZINC000106024612 186098921 /nfs/dbraw/zinc/09/89/21/186098921.db2.gz HERBGLGECPBVBR-HNNXBMFYSA-N 1 3 255.450 2.310 10 0 CEAEHO CCCCC[C@@](C)(CN)[N@@H+](C)C1CCN(C)CC1 ZINC000106024612 186098922 /nfs/dbraw/zinc/09/89/22/186098922.db2.gz HERBGLGECPBVBR-HNNXBMFYSA-N 1 3 255.450 2.310 10 0 CEAEHO CN(Cc1cc(Cl)ccn1)C1CCC([NH3+])CC1 ZINC000092417410 180381100 /nfs/dbraw/zinc/38/11/00/180381100.db2.gz NINJBNIHIYKWFN-UHFFFAOYSA-N 1 3 253.777 2.437 10 0 CEAEHO CC[NH2+][C@@H](C)[C@H](CC)c1nc(CCN(CC)CC)no1 ZINC000109496138 186256322 /nfs/dbraw/zinc/25/63/22/186256322.db2.gz FMXPELBKZOQTGF-STQMWFEESA-N 1 3 282.432 2.446 10 0 CEAEHO CCN(CC)CCc1noc([C@H]2CCCCC[C@H]2[NH3+])n1 ZINC000109495999 186256669 /nfs/dbraw/zinc/25/66/69/186256669.db2.gz KAKWEQCMVPCNLW-QWHCGFSZSA-N 1 3 280.416 2.329 10 0 CEAEHO NC[C@@]1([NH+]2CCC3(CCCCC3)CC2)CCOC1 ZINC000109431850 186252223 /nfs/dbraw/zinc/25/22/23/186252223.db2.gz CAJACCPUYGNMOM-HNNXBMFYSA-N 1 3 252.402 2.151 10 0 CEAEHO C[C@H]([NH3+])[C@@H](c1ccccc1)N1CCN(C)C(C)(C)C1 ZINC000110704880 186314292 /nfs/dbraw/zinc/31/42/92/186314292.db2.gz HEQGVQNTZNOXFU-ZFWWWQNUSA-N 1 3 261.413 2.101 10 0 CEAEHO Cc1ccc(C)c([C@@H](C[NH3+])N2CCN(C)C(C)(C)C2)c1 ZINC000110711439 186316113 /nfs/dbraw/zinc/31/61/13/186316113.db2.gz WCESVDOIHQBCRX-MRXNPFEDSA-N 1 3 275.440 2.329 10 0 CEAEHO C[NH2+][C@@H](CN1CCN(C)C(C)(C)C1)c1ccc(C)cc1 ZINC000110717131 186316201 /nfs/dbraw/zinc/31/62/01/186316201.db2.gz OPUWLMVDQPJKGI-INIZCTEOSA-N 1 3 275.440 2.282 10 0 CEAEHO CCc1ccc([C@H](C[NH3+])N2CCN(C)C(C)(C)C2)cc1 ZINC000110712160 186316327 /nfs/dbraw/zinc/31/63/27/186316327.db2.gz ZLSVEINZCXKXMK-INIZCTEOSA-N 1 3 275.440 2.275 10 0 CEAEHO CSc1ccc([C@H](C[NH3+])N2CCN(C)C(C)(C)C2)cc1 ZINC000110712136 186316627 /nfs/dbraw/zinc/31/66/27/186316627.db2.gz XSIUFMONDQPZSI-HNNXBMFYSA-N 1 3 293.480 2.434 10 0 CEAEHO CC[C@@H]1CN([C@@H]2CCCc3ccccc3[C@@H]2[NH3+])CCN1C ZINC000110715383 186316733 /nfs/dbraw/zinc/31/67/33/186316733.db2.gz YITXQXJMEQOPDG-NXHRZFHOSA-N 1 3 287.451 2.417 10 0 CEAEHO CC[C@@H]1CN(C[C@@](C)(C[NH2+]C)c2ccccc2)CCN1C ZINC000110746450 186318519 /nfs/dbraw/zinc/31/85/19/186318519.db2.gz HYBJXWSHWVGYRR-QZTJIDSGSA-N 1 3 289.467 2.190 10 0 CEAEHO C[NH2+][C@H](c1ccccc1)[C@H](C)CN1CCN(C)[C@@H](C)C1 ZINC000110744837 186318623 /nfs/dbraw/zinc/31/86/23/186318623.db2.gz ABGOXFZKUJUKPX-VYDXJSESSA-N 1 3 275.440 2.219 10 0 CEAEHO CC[C@@H]1CN(CC(C)(C)C[NH2+]CC(C)C)CCN1C ZINC000110746642 186319416 /nfs/dbraw/zinc/31/94/16/186319416.db2.gz UBCAPFXQLSQEDP-OAHLLOKOSA-N 1 3 269.477 2.284 10 0 CEAEHO CC[C@H]1CN(CC[NH2+]Cc2sccc2C)CCN1C ZINC000110757493 186320623 /nfs/dbraw/zinc/32/06/23/186320623.db2.gz NRSKOZSNSPITMF-AWEZNQCLSA-N 1 3 281.469 2.172 10 0 CEAEHO CCC(CC)[NH2+]C[C@H](C)N1CCN(C)C(C)(C)C1 ZINC000110757928 186320990 /nfs/dbraw/zinc/32/09/90/186320990.db2.gz GNRZWSKIKBLLRH-ZDUSSCGKSA-N 1 3 255.450 2.179 10 0 CEAEHO C[NH2+]C[C@](C)(CN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000110747205 186321343 /nfs/dbraw/zinc/32/13/43/186321343.db2.gz SXKXHDFISKMARY-GOSISDBHSA-N 1 3 289.467 2.190 10 0 CEAEHO CC[NH2+][C@@H](C)c1cccc(NC(=O)N(C)CCN(C)C)c1 ZINC000111149640 186360638 /nfs/dbraw/zinc/36/06/38/186360638.db2.gz BYRNMTYTWDQRIM-ZDUSSCGKSA-N 1 3 292.427 2.382 10 0 CEAEHO C[NH2+][C@H](c1ccccc1)[C@@H](C(C)C)N(C)CCN(C)C ZINC000111134229 186356565 /nfs/dbraw/zinc/35/65/65/186356565.db2.gz MSUKMPGXKMOULC-IAGOWNOFSA-N 1 3 277.456 2.465 10 0 CEAEHO CNCc1c(Cl)cccc1N(C)CCC[NH+](C)C ZINC000111140823 186357867 /nfs/dbraw/zinc/35/78/67/186357867.db2.gz ODXJDYHUJCGHDD-UHFFFAOYSA-N 1 3 269.820 2.447 10 0 CEAEHO CCOc1ccc([C@H](C)[NH2+]C)cc1CN(C)CCN(C)C ZINC000111134748 186358111 /nfs/dbraw/zinc/35/81/11/186358111.db2.gz XWULUMDTBOSHPW-AWEZNQCLSA-N 1 3 293.455 2.359 10 0 CEAEHO CCCOc1ccc([C@@H](N)CN(C)CCC[NH+](C)C)cc1 ZINC000111136555 186358136 /nfs/dbraw/zinc/35/81/36/186358136.db2.gz BRBWMSFUAYCTAV-KRWDZBQOSA-N 1 3 293.455 2.359 10 0 CEAEHO CN(C)CCN(C)CC1(C[NH2+]C2CC2)CCCCC1 ZINC000111146622 186358224 /nfs/dbraw/zinc/35/82/24/186358224.db2.gz ZJGNSNAWVUENHY-UHFFFAOYSA-N 1 3 267.461 2.182 10 0 CEAEHO CC[NH2+][C@H](CCN(C)CCN(C)C)c1ccc(F)cc1 ZINC000111147286 186358631 /nfs/dbraw/zinc/35/86/31/186358631.db2.gz MUURZZPCXBHGLW-MRXNPFEDSA-N 1 3 281.419 2.360 10 0 CEAEHO Cc1oc(CNC2CC2)cc1CN(C)CCC[NH+](C)C ZINC000111150054 186359701 /nfs/dbraw/zinc/35/97/01/186359701.db2.gz RUOPBXIQMGTKEP-UHFFFAOYSA-N 1 3 279.428 2.224 10 0 CEAEHO CC(C)CNCc1occc1CN(C)CCC[NH+](C)C ZINC000111150115 186359896 /nfs/dbraw/zinc/35/98/96/186359896.db2.gz YUSFDSUPZQSHFQ-UHFFFAOYSA-N 1 3 281.444 2.409 10 0 CEAEHO CCC[C@@]1(CN(C)C[C@@H]2CCCOC2)CC[NH2+]C1 ZINC000111179202 186366333 /nfs/dbraw/zinc/36/63/33/186366333.db2.gz BNTLNGDSFCQZEX-LSDHHAIUSA-N 1 3 254.418 2.125 10 0 CEAEHO CC1CCN(C[C@@]2(C[NH2+]C3CC3)CCCOC2)CC1 ZINC000111323621 186396667 /nfs/dbraw/zinc/39/66/67/186396667.db2.gz NOURUZLSTQKKAQ-INIZCTEOSA-N 1 3 266.429 2.267 10 0 CEAEHO CC1CC[NH+](C[C@@]2(CNC3CC3)CCCOC2)CC1 ZINC000111323621 186396668 /nfs/dbraw/zinc/39/66/68/186396668.db2.gz NOURUZLSTQKKAQ-INIZCTEOSA-N 1 3 266.429 2.267 10 0 CEAEHO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1CN1CCCC1 ZINC000111267031 186382631 /nfs/dbraw/zinc/38/26/31/186382631.db2.gz OLZVKNVVVJHJRY-DZGCQCFKSA-N 1 3 287.407 2.076 10 0 CEAEHO CC[NH2+][C@@H](C)C1CCN([C@@H](C)C(=O)NC(CC)CC)CC1 ZINC000111708892 186449119 /nfs/dbraw/zinc/44/91/19/186449119.db2.gz IQQYHPACGMDLCN-KBPBESRZSA-N 1 3 297.487 2.390 10 0 CEAEHO CO[C@H]1CN(CCC2CCCCC2)[C@](C)(C[NH3+])C1 ZINC000630359947 351710616 /nfs/dbraw/zinc/71/06/16/351710616.db2.gz NVZOZTPOCDHLIC-CABCVRRESA-N 1 3 254.418 2.395 10 0 CEAEHO CN(C)C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000093210230 539845269 /nfs/dbraw/zinc/84/52/69/539845269.db2.gz MDNJWIBKNIPSJV-JYJNAYRXSA-N 1 3 261.413 2.149 10 0 CEAEHO C(C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000250818998 539968914 /nfs/dbraw/zinc/96/89/14/539968914.db2.gz FUOMMRUHGTYXRF-CAOSSQGBSA-N 1 3 266.429 2.456 10 0 CEAEHO Cc1cc(F)ccc1CCNC[C@@H]1CCC[NH2+]C1 ZINC000132287601 366132239 /nfs/dbraw/zinc/13/22/39/366132239.db2.gz HNJDVLZGXCOXFT-CYBMUJFWSA-N 1 3 250.361 2.266 10 0 CEAEHO Cc1cc(F)ccc1CC[NH2+]C[C@@H]1CCCNC1 ZINC000132287601 366132240 /nfs/dbraw/zinc/13/22/40/366132240.db2.gz HNJDVLZGXCOXFT-CYBMUJFWSA-N 1 3 250.361 2.266 10 0 CEAEHO Cc1ccc(C)c(OCCN2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631842900 367584550 /nfs/dbraw/zinc/58/45/50/367584550.db2.gz HEUCPXNIENTIGG-CABCVRRESA-N 1 3 262.397 2.209 10 0 CEAEHO CC[C@@H](O)C[NH+]1CCN(c2ccnc3ccc(C)cc32)CC1 ZINC000185718729 368848529 /nfs/dbraw/zinc/84/85/29/368848529.db2.gz YJMAYIOVXYWBDX-OAHLLOKOSA-N 1 3 299.418 2.436 10 0 CEAEHO C[C@@H](Cc1ccccc1F)NC[C@H](O)C[NH+]1CCCCC1 ZINC000187820861 369229541 /nfs/dbraw/zinc/22/95/41/369229541.db2.gz JPEKDKKKDQWSSY-HOCLYGCPSA-N 1 3 294.414 2.193 10 0 CEAEHO COc1ccc([C@@H](C)CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000194540673 370048717 /nfs/dbraw/zinc/04/87/17/370048717.db2.gz WMHNOCHDDYAIBU-CWRNSKLLSA-N 1 3 274.408 2.292 10 0 CEAEHO COc1ccc([C@@H](C)CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1 ZINC000194540673 370048720 /nfs/dbraw/zinc/04/87/20/370048720.db2.gz WMHNOCHDDYAIBU-CWRNSKLLSA-N 1 3 274.408 2.292 10 0 CEAEHO OC[C@H]1CN(Cc2ccc(Cl)cc2)CC12CC[NH2+]CC2 ZINC000257183838 371604715 /nfs/dbraw/zinc/60/47/15/371604715.db2.gz SJXXRRJFVYVZSF-CQSZACIVSA-N 1 3 294.826 2.134 10 0 CEAEHO CCOc1cccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261581493 371661112 /nfs/dbraw/zinc/66/11/12/371661112.db2.gz GESGXVNZQWBSCS-IMJJTQAJSA-N 1 3 260.381 2.254 10 0 CEAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cccc4cccnc43)C[C@H]12 ZINC000261721538 371710825 /nfs/dbraw/zinc/71/08/25/371710825.db2.gz KFYMQUMKPGFUSL-CWRNSKLLSA-N 1 3 267.376 2.404 10 0 CEAEHO CCOc1ccc(OCCN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261790675 371734363 /nfs/dbraw/zinc/73/43/63/371734363.db2.gz XRYKCXUINUDMQV-IAOVAPTHSA-N 1 3 290.407 2.133 10 0 CEAEHO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCNCC2)CCO1 ZINC000423021436 376936202 /nfs/dbraw/zinc/93/62/02/376936202.db2.gz FBWUBVFOSSZQTN-MCIONIFRSA-N 1 3 254.418 2.312 10 0 CEAEHO CCN(CC)C(=O)CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093489903 184683748 /nfs/dbraw/zinc/68/37/48/184683748.db2.gz XRDFMQZBNGLCGX-OWCLPIDISA-N 1 3 295.471 2.145 10 0 CEAEHO CCCN(CCN(C)C)c1cc([C@@H](C)[NH2+]C)ccn1 ZINC000094999329 184912312 /nfs/dbraw/zinc/91/23/12/184912312.db2.gz ZVIHDSOGCBAWET-CYBMUJFWSA-N 1 3 264.417 2.140 10 0 CEAEHO CC(C)(C[NH3+])CCN1CCN(c2ccccc2F)CC1 ZINC000087590523 135051006 /nfs/dbraw/zinc/05/10/06/135051006.db2.gz ZBGQWCIHANETMX-UHFFFAOYSA-N 1 3 279.403 2.323 10 0 CEAEHO C[NH+](C)[C@H]1CCCN(c2cc(CN)nc3ccccc32)C1 ZINC000091449199 135070495 /nfs/dbraw/zinc/07/04/95/135070495.db2.gz XWLDXZFIEQRPMR-AWEZNQCLSA-N 1 3 284.407 2.224 10 0 CEAEHO CC(C)[NH2+]Cc1cccc(N2CCN3CCCC[C@@H]3C2)n1 ZINC000094443203 135088485 /nfs/dbraw/zinc/08/84/85/135088485.db2.gz LKXRJGZHJFWSLJ-MRXNPFEDSA-N 1 3 288.439 2.254 10 0 CEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1N[C@H]1CCC[NH2+][C@H]1C ZINC000396621717 395217909 /nfs/dbraw/zinc/21/79/09/395217909.db2.gz VCXRSPMVTRCEPQ-FZCLSBEQSA-N 1 3 287.451 2.237 10 0 CEAEHO CCC[NH+](CCC)CCCC(=O)N1CCN2CCC[C@H]2C1 ZINC000170968077 162378402 /nfs/dbraw/zinc/37/84/02/162378402.db2.gz ZXQMTYJEZFHOLQ-INIZCTEOSA-N 1 3 295.471 2.195 10 0 CEAEHO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2CN)C1 ZINC000022156496 171363186 /nfs/dbraw/zinc/36/31/86/171363186.db2.gz MAKXYQYZOXQWPZ-ZDUSSCGKSA-N 1 3 275.396 2.206 10 0 CEAEHO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2CN)C1 ZINC000022156496 171363187 /nfs/dbraw/zinc/36/31/87/171363187.db2.gz MAKXYQYZOXQWPZ-ZDUSSCGKSA-N 1 3 275.396 2.206 10 0 CEAEHO CC[NH+]1CCC(N(C)C[C@H](N)c2ccc(OC)cc2)CC1 ZINC000042616292 174829797 /nfs/dbraw/zinc/82/97/97/174829797.db2.gz OZOJVDWDYTUYAG-KRWDZBQOSA-N 1 3 291.439 2.111 10 0 CEAEHO Cc1cccc([C@H](C[NH3+])N2CCN(C(C)C)CC2)c1C ZINC000043314684 175004653 /nfs/dbraw/zinc/00/46/53/175004653.db2.gz YKKJFEKVOYEVMJ-KRWDZBQOSA-N 1 3 275.440 2.329 10 0 CEAEHO CC[C@@H]([NH3+])[C@H](c1ccncc1)N(CCN(C)C)CC(C)C ZINC000043354822 175022551 /nfs/dbraw/zinc/02/25/51/175022551.db2.gz NPDOSACJLVIANA-SJORKVTESA-N 1 3 292.471 2.380 10 0 CEAEHO C[NH2+][C@@H](c1ccccc1)[C@H](C)N(C)C1CCN(C)CC1 ZINC000043815179 175111709 /nfs/dbraw/zinc/11/17/09/175111709.db2.gz IQMZTSQJCNJAAH-WMLDXEAASA-N 1 3 275.440 2.362 10 0 CEAEHO C[NH2+][C@H]1c2ccccc2CCC[C@@H]1N1CCCN(C)CC1 ZINC000043818018 175112891 /nfs/dbraw/zinc/11/28/91/175112891.db2.gz MOJPIQRJRKXYRU-ROUUACIJSA-N 1 3 287.451 2.290 10 0 CEAEHO CCC[C@H]([NH2+]CC)[C@@H](CC)N1CCCN(C)CC1 ZINC000043818421 175113224 /nfs/dbraw/zinc/11/32/24/175113224.db2.gz RWVSFYITABCJKN-LSDHHAIUSA-N 1 3 255.450 2.181 10 0 CEAEHO CC[NH2+][C@@H](CN1CCCN(C)CC1)c1ccccc1C ZINC000043818393 175113293 /nfs/dbraw/zinc/11/32/93/175113293.db2.gz DDLVUZHRWJAMLG-KRWDZBQOSA-N 1 3 275.440 2.283 10 0 CEAEHO C[NH2+][C@@H]1c2ccccc2CCC[C@@H]1N1CCCN(C)CC1 ZINC000043818016 175113297 /nfs/dbraw/zinc/11/32/97/175113297.db2.gz MOJPIQRJRKXYRU-ZWKOTPCHSA-N 1 3 287.451 2.290 10 0 CEAEHO CCC[NH2+][C@@H](C)[C@H](C)N1CCN(C(C)(C)C)CC1 ZINC000043965735 175126875 /nfs/dbraw/zinc/12/68/75/175126875.db2.gz RWGKJIYOAAQADZ-KBPBESRZSA-N 1 3 255.450 2.179 10 0 CEAEHO CC[NH2+][C@@H]1CCCC[C@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965640 175127274 /nfs/dbraw/zinc/12/72/74/175127274.db2.gz OSOMBHYYHPWJAT-HUUCEWRRSA-N 1 3 267.461 2.323 10 0 CEAEHO C[NH2+][C@@H]1CCCCCC[C@H]1N1CCN(CC2CC2)CC1 ZINC000043967852 175129001 /nfs/dbraw/zinc/12/90/01/175129001.db2.gz DYSRLXXKKWSVDD-IAGOWNOFSA-N 1 3 279.472 2.325 10 0 CEAEHO COCC[C@H](C)[NH2+]Cc1ccccc1CN(C)C ZINC000045018337 175291380 /nfs/dbraw/zinc/29/13/80/175291380.db2.gz XSRBIIMCTWUELP-ZDUSSCGKSA-N 1 3 250.386 2.263 10 0 CEAEHO C[C@H](C(=O)Nc1cccc(C[NH3+])c1)N(C)CC(C)(C)C ZINC000045068432 175300042 /nfs/dbraw/zinc/30/00/42/175300042.db2.gz DGTACIGUILYHJY-GFCCVEGCSA-N 1 3 277.412 2.450 10 0 CEAEHO CCCNC(=O)CCN[C@H](C)[C@@H]1CCC[N@H+](CCC)C1 ZINC000045072521 175302198 /nfs/dbraw/zinc/30/21/98/175302198.db2.gz VEVCXTLGVNRXGK-HUUCEWRRSA-N 1 3 283.460 2.003 10 0 CEAEHO CCCNC(=O)CCN[C@H](C)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000045072521 175302200 /nfs/dbraw/zinc/30/22/00/175302200.db2.gz VEVCXTLGVNRXGK-HUUCEWRRSA-N 1 3 283.460 2.003 10 0 CEAEHO CCCNC(=O)CC[NH2+][C@H](C)[C@@H]1CCCN(CCC)C1 ZINC000045072521 175302201 /nfs/dbraw/zinc/30/22/01/175302201.db2.gz VEVCXTLGVNRXGK-HUUCEWRRSA-N 1 3 283.460 2.003 10 0 CEAEHO CN[C@@H]1CCOC[C@H]1[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073295 175302450 /nfs/dbraw/zinc/30/24/50/175302450.db2.gz MBYNEDQKLHTXTI-RBSFLKMASA-N 1 3 252.402 2.018 10 0 CEAEHO CN[C@@H]1CCOC[C@H]1[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073295 175302452 /nfs/dbraw/zinc/30/24/52/175302452.db2.gz MBYNEDQKLHTXTI-RBSFLKMASA-N 1 3 252.402 2.018 10 0 CEAEHO CO[C@H](CN[C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000665284054 415673665 /nfs/dbraw/zinc/67/36/65/415673665.db2.gz ZMXAJIXHXNLYFL-LSDHHAIUSA-N 1 3 254.418 2.313 10 0 CEAEHO C[C@H]1CC(C)(C)C[C@@](CN)([N@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071188583 176063560 /nfs/dbraw/zinc/06/35/60/176063560.db2.gz WNXOOXYZJWDQHR-UXLLHSPISA-N 1 3 281.488 2.414 10 0 CEAEHO C[C@H]1CC(C)(C)C[C@@](CN)([N@@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071188583 176063561 /nfs/dbraw/zinc/06/35/61/176063561.db2.gz WNXOOXYZJWDQHR-UXLLHSPISA-N 1 3 281.488 2.414 10 0 CEAEHO CCC[C@@H]1CN[C@@](C)(CC)C[N@@H+]1CCn1ccnc1C ZINC000071356830 176136963 /nfs/dbraw/zinc/13/69/63/176136963.db2.gz XFWLTABULOIXDE-CVEARBPZSA-N 1 3 278.444 2.434 10 0 CEAEHO CCC[C@@H]1CN[C@@](C)(CC)C[N@H+]1CCn1ccnc1C ZINC000071356830 176136964 /nfs/dbraw/zinc/13/69/64/176136964.db2.gz XFWLTABULOIXDE-CVEARBPZSA-N 1 3 278.444 2.434 10 0 CEAEHO CC[NH2+][C@@H]1CCC(C)(C)C[C@H]1CN(C)CCN(C)C ZINC000079673160 177534962 /nfs/dbraw/zinc/53/49/62/177534962.db2.gz QQPBKPSDCQKEAL-LSDHHAIUSA-N 1 3 269.477 2.284 10 0 CEAEHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000114176038 277436056 /nfs/dbraw/zinc/43/60/56/277436056.db2.gz JZBVMNGJIQEELE-CVEARBPZSA-N 1 3 297.487 2.343 10 0 CEAEHO CC(C)(C)CCN1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000165700212 278315630 /nfs/dbraw/zinc/31/56/30/278315630.db2.gz MCWCZBPYNSSYOU-GJZGRUSLSA-N 1 3 295.471 2.084 10 0 CEAEHO C[C@H](CN(C)Cc1ccccc1)N[C@H]1CCC[NH2+]CC1 ZINC000261557576 279284339 /nfs/dbraw/zinc/28/43/39/279284339.db2.gz XMCRTDJXMPLETH-WBVHZDCISA-N 1 3 275.440 2.239 10 0 CEAEHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C)C1)CN1CCCCC1 ZINC000038041945 279348502 /nfs/dbraw/zinc/34/85/02/279348502.db2.gz IOWMQIOULGGFNY-IXDOHACOSA-N 1 3 281.488 2.428 10 0 CEAEHO C[C@H](NC[C@H](c1ccccc1)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000577204740 314351976 /nfs/dbraw/zinc/35/19/76/314351976.db2.gz DDAUDCZHAZPHQC-USXIJHARSA-N 1 3 275.440 2.267 10 0 CEAEHO C[C@@H]1C[C@]2(CN)C[N@H+](Cc3ccccc3)CC[C@H]2O1 ZINC000536961248 330384205 /nfs/dbraw/zinc/38/42/05/330384205.db2.gz WPMADSWDBYDZNZ-BMFZPTHFSA-N 1 3 260.381 2.015 10 0 CEAEHO C[C@@H]1C[C@]2(CN)C[N@@H+](Cc3ccccc3)CC[C@H]2O1 ZINC000536961248 330384206 /nfs/dbraw/zinc/38/42/06/330384206.db2.gz WPMADSWDBYDZNZ-BMFZPTHFSA-N 1 3 260.381 2.015 10 0 CEAEHO C1C[NH2+][C@H]([C@@H]2CCCN([C@@H]3CCCSC3)C2)C1 ZINC000061590656 518580153 /nfs/dbraw/zinc/58/01/53/518580153.db2.gz KVAOPPYOWDZIGK-MCIONIFRSA-N 1 3 254.443 2.346 10 0 CEAEHO CC(C)CN1CCN(CC[NH2+]C(C2CC2)C2CC2)CC1 ZINC000055076024 519726249 /nfs/dbraw/zinc/72/62/49/519726249.db2.gz WOVPNXZGQPJOEG-UHFFFAOYSA-N 1 3 279.472 2.038 10 0 CEAEHO CCC[NH2+]C[C@H]1CC[C@@H](CN(CC)C[C@@H]2CCCO2)O1 ZINC000052511053 519936884 /nfs/dbraw/zinc/93/68/84/519936884.db2.gz UXHSDDSQMQUECK-PMPSAXMXSA-N 1 3 284.444 2.035 10 0 CEAEHO CCC[NH2+][C@@H](CN1CCN([C@H](C)CC)CC1)C1CC1 ZINC000069075028 520008812 /nfs/dbraw/zinc/00/88/12/520008812.db2.gz OAQLYSLJHJSICI-ZBFHGGJFSA-N 1 3 267.461 2.181 10 0 CEAEHO CCO[C@@H](C[NH3+])CN(Cc1ccccc1)C(C)C ZINC000062739428 520308819 /nfs/dbraw/zinc/30/88/19/520308819.db2.gz ISHANNHCWRVOCU-HNNXBMFYSA-N 1 3 250.386 2.261 10 0 CEAEHO CCO[C@@H](CN)C[N@H+](Cc1ccccc1)C(C)C ZINC000062739428 520308834 /nfs/dbraw/zinc/30/88/34/520308834.db2.gz ISHANNHCWRVOCU-HNNXBMFYSA-N 1 3 250.386 2.261 10 0 CEAEHO CCO[C@@H](CN)C[N@@H+](Cc1ccccc1)C(C)C ZINC000062739428 520308849 /nfs/dbraw/zinc/30/88/49/520308849.db2.gz ISHANNHCWRVOCU-HNNXBMFYSA-N 1 3 250.386 2.261 10 0 CEAEHO C[NH2+][C@H]1CCCCC[C@@H]1CN1CCN(CC(C)C)CC1 ZINC000055082048 522490970 /nfs/dbraw/zinc/49/09/70/522490970.db2.gz BEVCWHSXKFPEJC-SJORKVTESA-N 1 3 281.488 2.428 10 0 CEAEHO C(CCN1CCO[C@@H]2CCCC[C@H]21)C[NH2+]C1CC1 ZINC000052573026 518384051 /nfs/dbraw/zinc/38/40/51/518384051.db2.gz GPKCXGAOXUPHDZ-HUUCEWRRSA-N 1 3 252.402 2.162 10 0 CEAEHO CC(C)N1CCN(Cc2ccccc2C[NH2+]C2CC2)CC1 ZINC000052480150 519682694 /nfs/dbraw/zinc/68/26/94/519682694.db2.gz UORSKJCDQCEXJA-UHFFFAOYSA-N 1 3 287.451 2.465 10 0 CEAEHO CC(C)N1CCN(c2cc(Cl)ccc2C[NH3+])CC1 ZINC000062786842 519683571 /nfs/dbraw/zinc/68/35/71/519683571.db2.gz PTZHKRAQJDWYOK-UHFFFAOYSA-N 1 3 267.804 2.329 10 0 CEAEHO CC(C)C[NH+](Cc1ccnc(C(=N)N)c1)CC(C)C ZINC000068761296 519718867 /nfs/dbraw/zinc/71/88/67/519718867.db2.gz HBXKILLYKMZRNM-UHFFFAOYSA-N 1 3 262.401 2.480 10 0 CEAEHO CC(C)[NH2+]CCC[C@@H](C)N1CCN(C(C)C)CC1 ZINC000052480093 519720875 /nfs/dbraw/zinc/72/08/75/519720875.db2.gz CAEMJIQVIWFJHZ-OAHLLOKOSA-N 1 3 255.450 2.179 10 0 CEAEHO CC(C)[NH2+]CC[C@H](C)N1CCN(C2CCCC2)CC1 ZINC000052573559 519722407 /nfs/dbraw/zinc/72/24/07/519722407.db2.gz CXMBOMLMGLPNJI-HNNXBMFYSA-N 1 3 267.461 2.323 10 0 CEAEHO CC(C)CN1CCN(CCC[C@H]2CCC[NH2+]C2)CC1 ZINC000055083654 519725966 /nfs/dbraw/zinc/72/59/66/519725966.db2.gz JKHPJOHADMZHHQ-MRXNPFEDSA-N 1 3 267.461 2.040 10 0 CEAEHO CC(C)CN1CCN([C@@H](C[NH2+]C(C)C)C(C)C)CC1 ZINC000055082973 519727315 /nfs/dbraw/zinc/72/73/15/519727315.db2.gz LAXLDUBUPCUVBS-INIZCTEOSA-N 1 3 269.477 2.283 10 0 CEAEHO CC(C)NCc1coc(CN2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061654623 519728544 /nfs/dbraw/zinc/72/85/44/519728544.db2.gz FEEPLUUKHMZQEM-OAHLLOKOSA-N 1 3 279.428 2.304 10 0 CEAEHO CC(C)C[NH2+]Cc1ccoc1CN1CCCN(C)CC1 ZINC000052424177 519748096 /nfs/dbraw/zinc/74/80/96/519748096.db2.gz XLSVZBZTWKWRRZ-UHFFFAOYSA-N 1 3 279.428 2.163 10 0 CEAEHO CCCN1CCN([C@@H](CC)C[NH2+]CC(C)C)CC1 ZINC000052421784 519859472 /nfs/dbraw/zinc/85/94/72/519859472.db2.gz CPXGKQOROAHVMA-HNNXBMFYSA-N 1 3 255.450 2.038 10 0 CEAEHO CCCN1CCN(c2cc(Cl)ccc2C[NH3+])CC1 ZINC000062786736 519860054 /nfs/dbraw/zinc/86/00/54/519860054.db2.gz FWTXILADKGHXHP-UHFFFAOYSA-N 1 3 267.804 2.331 10 0 CEAEHO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1CCCN(CC)C1 ZINC000054602502 519909470 /nfs/dbraw/zinc/90/94/70/519909470.db2.gz DUJZXGVPYPQGFE-NPYXIHBLSA-N 1 3 279.472 2.466 10 0 CEAEHO CCC[NH2+]Cc1cc(CN2CCCN(C)CC2)oc1C ZINC000052424183 519944182 /nfs/dbraw/zinc/94/41/82/519944182.db2.gz QIIYNSHPFUETIH-UHFFFAOYSA-N 1 3 279.428 2.225 10 0 CEAEHO CC[NH2+]C[C@H](C)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000061702363 519969923 /nfs/dbraw/zinc/96/99/23/519969923.db2.gz OHPLHADTFMHFRM-HOCLYGCPSA-N 1 3 262.397 2.276 10 0 CEAEHO CC[NH2+]Cc1ccccc1CN(C)C[C@H]1CCCO1 ZINC000052541094 520006455 /nfs/dbraw/zinc/00/64/55/520006455.db2.gz XUWPZHSRTCRYLK-MRXNPFEDSA-N 1 3 262.397 2.407 10 0 CEAEHO CCC[NH2+][C@@H]1CCC[C@@H]1N1CCN(CC(C)C)CC1 ZINC000055079367 520022575 /nfs/dbraw/zinc/02/25/75/520022575.db2.gz FMFMSAZNQCUGGJ-CVEARBPZSA-N 1 3 267.461 2.181 10 0 CEAEHO CCNCc1occc1COCC[C@H]1CCC[N@@H+]1C ZINC000052673281 520030379 /nfs/dbraw/zinc/03/03/79/520030379.db2.gz JRSCXZNMURDGBE-CQSZACIVSA-N 1 3 266.385 2.390 10 0 CEAEHO CCNCc1occc1COCC[C@H]1CCC[N@H+]1C ZINC000052673281 520030387 /nfs/dbraw/zinc/03/03/87/520030387.db2.gz JRSCXZNMURDGBE-CQSZACIVSA-N 1 3 266.385 2.390 10 0 CEAEHO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CN1CCC(CO)CC1 ZINC000053860085 520122207 /nfs/dbraw/zinc/12/22/07/520122207.db2.gz GAJBWZOXGIVQGW-FVQBIDKESA-N 1 3 268.445 2.105 10 0 CEAEHO CCN[C@@H]1COc2cc(OCC[NH+]3CCCC3)ccc21 ZINC000062804655 520124896 /nfs/dbraw/zinc/12/48/96/520124896.db2.gz YGONLMASCCVWHI-OAHLLOKOSA-N 1 3 276.380 2.204 10 0 CEAEHO CC[NH2+][C@H]1CCC[C@@H]1CN1CCN(CC(C)C)CC1 ZINC000055081859 520213267 /nfs/dbraw/zinc/21/32/67/520213267.db2.gz GNTBBKYIAGSTPL-CVEARBPZSA-N 1 3 267.461 2.038 10 0 CEAEHO CCCCC[C@H](C[NH3+])N1CCN(CC(C)C)CC1 ZINC000055078540 520311100 /nfs/dbraw/zinc/31/11/00/520311100.db2.gz BBTZWHTVNOFLHV-OAHLLOKOSA-N 1 3 255.450 2.168 10 0 CEAEHO CCN(CC)[C@@H](CNC(=O)C(C)(C)[NH2+]C)c1ccccc1 ZINC000061300090 520832021 /nfs/dbraw/zinc/83/20/21/520832021.db2.gz UZBIPUWBTORXSV-HNNXBMFYSA-N 1 3 291.439 2.184 10 0 CEAEHO CCC[C@@H]1C[N@H+](CCn2ccnc2C)[C@@](C)(C2CC2)CN1 ZINC000068702530 520837560 /nfs/dbraw/zinc/83/75/60/520837560.db2.gz ISWJEUUQADGZAJ-IAGOWNOFSA-N 1 3 290.455 2.434 10 0 CEAEHO CCC[C@@H]1C[N@@H+](CCn2ccnc2C)[C@@](C)(C2CC2)CN1 ZINC000068702530 520837564 /nfs/dbraw/zinc/83/75/64/520837564.db2.gz ISWJEUUQADGZAJ-IAGOWNOFSA-N 1 3 290.455 2.434 10 0 CEAEHO CCN(CCCOc1ccccc1)C[C@@H](C)C(N)=[NH2+] ZINC000061815881 521040256 /nfs/dbraw/zinc/04/02/56/521040256.db2.gz CQPHZLIIYDLHRJ-CYBMUJFWSA-N 1 3 263.385 2.349 10 0 CEAEHO CCC[C@H]1C[N@H+](CCn2ccnc2C)[C@@H](CCC)CN1 ZINC000068700452 521222266 /nfs/dbraw/zinc/22/22/66/521222266.db2.gz OVUKYHMGBZAEDR-HOTGVXAUSA-N 1 3 278.444 2.434 10 0 CEAEHO CCC[C@H]1C[N@@H+](CCn2ccnc2C)[C@@H](CCC)CN1 ZINC000068700452 521222272 /nfs/dbraw/zinc/22/22/72/521222272.db2.gz OVUKYHMGBZAEDR-HOTGVXAUSA-N 1 3 278.444 2.434 10 0 CEAEHO CCN(Cc1cc(C)c(C[NH2+]C)o1)[C@H](C)COC ZINC000052505152 521285893 /nfs/dbraw/zinc/28/58/93/521285893.db2.gz FOKVPOQRJDVLBL-GFCCVEGCSA-N 1 3 254.374 2.164 10 0 CEAEHO CCN(Cc1occc1C[NH2+]C1CC1)[C@@H](C)COC ZINC000052504766 521471043 /nfs/dbraw/zinc/47/10/43/521471043.db2.gz KAZIKTISGBSYEC-LBPRGKRZSA-N 1 3 266.385 2.388 10 0 CEAEHO CCC(CC)N(CCOC)Cc1cc[nH+]c(NN)c1 ZINC000052722100 521559510 /nfs/dbraw/zinc/55/95/10/521559510.db2.gz KMABNTXQVJDKLZ-UHFFFAOYSA-N 1 3 266.389 2.004 10 0 CEAEHO CCOC1CCN(Cc2ccccc2C[NH2+]C)CC1 ZINC000052484108 521656803 /nfs/dbraw/zinc/65/68/03/521656803.db2.gz LYNCXDKJEASNAW-UHFFFAOYSA-N 1 3 262.397 2.407 10 0 CEAEHO CCCN(CCN(C)C)c1nc(C)c([C@@H](C)[NH3+])s1 ZINC000054897693 521658786 /nfs/dbraw/zinc/65/87/86/521658786.db2.gz DXCYKBPECLNYAW-SNVBAGLBSA-N 1 3 270.446 2.249 10 0 CEAEHO CNC[C@](C)(C[N@@H+]1CCC[C@@H]1CCCO)c1ccccc1 ZINC000052763410 522098753 /nfs/dbraw/zinc/09/87/53/522098753.db2.gz RSGUUWNNKVQXPX-QZTJIDSGSA-N 1 3 290.451 2.401 10 0 CEAEHO CNC[C@](C)(C[N@H+]1CCC[C@@H]1CCCO)c1ccccc1 ZINC000052763410 522098761 /nfs/dbraw/zinc/09/87/61/522098761.db2.gz RSGUUWNNKVQXPX-QZTJIDSGSA-N 1 3 290.451 2.401 10 0 CEAEHO C[NH2+]C[C@](C)(CN1CCC[C@@H]1CCCO)c1ccccc1 ZINC000052763410 522098770 /nfs/dbraw/zinc/09/87/70/522098770.db2.gz RSGUUWNNKVQXPX-QZTJIDSGSA-N 1 3 290.451 2.401 10 0 CEAEHO CC[C@@H](C)N1CCN(CCC[C@H]2CCC[NH2+]C2)CC1 ZINC000055083445 522117615 /nfs/dbraw/zinc/11/76/15/522117615.db2.gz XOYRHOMWNZZQSV-HZPDHXFCSA-N 1 3 267.461 2.182 10 0 CEAEHO CC[C@@H](C)N1CCN(CC(C)(C)C[NH2+]C(C)C)CC1 ZINC000055072138 522119496 /nfs/dbraw/zinc/11/94/96/522119496.db2.gz ZCVVCHUZKMXOER-OAHLLOKOSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C[NH3+])c2cccc(OC)c2)CC1 ZINC000055063635 522131610 /nfs/dbraw/zinc/13/16/10/522131610.db2.gz BUHNIYGRUPGKJQ-RHSMWYFYSA-N 1 3 291.439 2.111 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H]2CCc3ccccc3[C@@H]2[NH3+])CC1 ZINC000055065308 522131939 /nfs/dbraw/zinc/13/19/39/522131939.db2.gz FMTIIXVSXBTDMH-JLSDUUJJSA-N 1 3 287.451 2.417 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000055065514 522132087 /nfs/dbraw/zinc/13/20/87/522132087.db2.gz AUUNBEWLCWEJHZ-ILXRZTDVSA-N 1 3 253.434 2.063 10 0 CEAEHO CC[C@H]([NH3+])[C@H](c1ccccn1)N1CCN(CC(C)C)CC1 ZINC000055077435 522343498 /nfs/dbraw/zinc/34/34/98/522343498.db2.gz QHXKQKQJYJWYOD-DOTOQJQBSA-N 1 3 290.455 2.134 10 0 CEAEHO CC[C@H]([NH3+])[C@H](c1cccnc1)N1CCN(CC(C)C)CC1 ZINC000055077481 522343757 /nfs/dbraw/zinc/34/37/57/522343757.db2.gz VOFPGAJBAHIICS-IRXDYDNUSA-N 1 3 290.455 2.134 10 0 CEAEHO C[NH2+][C@@H]1CCCCCC[C@H]1N1CCC[C@@H]1CN(C)C ZINC000061643426 522377813 /nfs/dbraw/zinc/37/78/13/522377813.db2.gz RGUMEGHYCAHOFJ-BZUAXINKSA-N 1 3 267.461 2.323 10 0 CEAEHO C[NH2+][C@H]1CCCc2nc(N(C)[C@@H]3CCCN(C)C3)sc21 ZINC000054905600 522499671 /nfs/dbraw/zinc/49/96/71/522499671.db2.gz QEZAJBPMLZPFQV-NEPJUHHUSA-N 1 3 294.468 2.270 10 0 CEAEHO CN(C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1)C[C@@H]1CCCCO1 ZINC000052507648 523144112 /nfs/dbraw/zinc/14/41/12/523144112.db2.gz FEAUUUNIHFHZHQ-HRCADAONSA-N 1 3 298.471 2.423 10 0 CEAEHO COCCN(C)CCOc1ccccc1C[NH2+]C(C)C ZINC000052572846 523617530 /nfs/dbraw/zinc/61/75/30/523617530.db2.gz YAVMYEMLXKXYGC-UHFFFAOYSA-N 1 3 280.412 2.142 10 0 CEAEHO CN(c1cc(Cl)ccc1C[NH3+])[C@H]1CCCN(C)C1 ZINC000062787040 523630979 /nfs/dbraw/zinc/63/09/79/523630979.db2.gz VXOXPSLYXXJYNT-ZDUSSCGKSA-N 1 3 267.804 2.329 10 0 CEAEHO CN(c1cc(Cl)ccc1C[NH3+])[C@@H]1CCCN(C)C1 ZINC000062787041 523632680 /nfs/dbraw/zinc/63/26/80/523632680.db2.gz VXOXPSLYXXJYNT-CYBMUJFWSA-N 1 3 267.804 2.329 10 0 CEAEHO CN1CCC(Oc2cc(Cl)ccc2C(N)=[NH2+])CC1 ZINC000062789182 523780716 /nfs/dbraw/zinc/78/07/16/523780716.db2.gz FNFGXPFTMOCWHY-UHFFFAOYSA-N 1 3 267.760 2.097 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@@H]2CCCC[C@@H]2[NH2+]C)CC1 ZINC000055072565 523954852 /nfs/dbraw/zinc/95/48/52/523954852.db2.gz BLIDCSDEMZZBOK-JYJNAYRXSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000055065471 523955756 /nfs/dbraw/zinc/95/57/56/523955756.db2.gz BVCRINMZTUCKAD-RDJZCZTQSA-N 1 3 275.440 2.411 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C[NH2+]C(C)C)C(C)C)CC1 ZINC000055074459 523957653 /nfs/dbraw/zinc/95/76/53/523957653.db2.gz PFTGWDYJVYCBEO-HOTGVXAUSA-N 1 3 269.477 2.425 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C[NH3+])c2ccc(F)cc2F)CC1 ZINC000055064523 523958292 /nfs/dbraw/zinc/95/82/92/523958292.db2.gz BFONUPIPZHQDOV-LRDDRELGSA-N 1 3 297.393 2.381 10 0 CEAEHO COc1ccc(C[NH2+]CC(C)C)c(OCCN(C)C)c1 ZINC000062733180 524069369 /nfs/dbraw/zinc/06/93/69/524069369.db2.gz FBIVHEVYFRSQBL-UHFFFAOYSA-N 1 3 280.412 2.381 10 0 CEAEHO C[C@@H](CCC[NH3+])O[C@H]1CCN(Cc2ccccc2)C1 ZINC000061702320 524456522 /nfs/dbraw/zinc/45/65/22/524456522.db2.gz VFBMAOARNFMFBO-HOCLYGCPSA-N 1 3 262.397 2.405 10 0 CEAEHO C[C@@H]1C[N@H+](C2CCN(C)CC2)[C@H](c2ccccc2)CN1 ZINC000062667048 524922257 /nfs/dbraw/zinc/92/22/57/524922257.db2.gz ZWBYSLOBTZMJSU-PBHICJAKSA-N 1 3 273.424 2.116 10 0 CEAEHO C[C@@H]1C[N@@H+](C2CCN(C)CC2)[C@H](c2ccccc2)CN1 ZINC000062667048 524922270 /nfs/dbraw/zinc/92/22/70/524922270.db2.gz ZWBYSLOBTZMJSU-PBHICJAKSA-N 1 3 273.424 2.116 10 0 CEAEHO C[C@@]([NH3+])(CN1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000052883704 525750727 /nfs/dbraw/zinc/75/07/27/525750727.db2.gz SXUQUBNCRNHJMI-GOSISDBHSA-N 1 3 287.451 2.421 10 0 CEAEHO Cc1ccsc1[C@@H](C[NH3+])N(C)[C@@H]1CCCN(C)C1 ZINC000053205594 525871178 /nfs/dbraw/zinc/87/11/78/525871178.db2.gz ZUTFBWJIXYNRIU-CHWSQXEVSA-N 1 3 267.442 2.082 10 0 CEAEHO Cc1oc(CNC2CC2)cc1COCCC[NH+](C)C ZINC000052672680 526774463 /nfs/dbraw/zinc/77/44/63/526774463.db2.gz CQMABZGDIVEVHT-UHFFFAOYSA-N 1 3 266.385 2.308 10 0 CEAEHO Cc1nc(N2CCC[C@@H]2CN(C)C)sc1C[NH2+]C(C)C ZINC000061655591 526965707 /nfs/dbraw/zinc/96/57/07/526965707.db2.gz PLTJVIVBYDVXBZ-CYBMUJFWSA-N 1 3 296.484 2.480 10 0 CEAEHO C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccc(F)cc21 ZINC000082509364 178075980 /nfs/dbraw/zinc/07/59/80/178075980.db2.gz MRSQURKIHMJTTH-ZDUSSCGKSA-N 1 3 264.344 2.333 10 0 CEAEHO C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2cc(OC)ccc21 ZINC000082509391 178076374 /nfs/dbraw/zinc/07/63/74/178076374.db2.gz JCNWENHEZAFQKN-AWEZNQCLSA-N 1 3 276.380 2.203 10 0 CEAEHO C[NH+](C)Cc1ccc(NC(=O)[C@@]2(C)CCCCN2)cc1 ZINC000133181575 344367641 /nfs/dbraw/zinc/36/76/41/344367641.db2.gz STXBOSOJOWXJKM-MRXNPFEDSA-N 1 3 275.396 2.219 10 0 CEAEHO Cc1nccn1CCN1C[C@@H](C(C)(C)C)[NH2+]CC[C@@H]1C ZINC000085624311 179107077 /nfs/dbraw/zinc/10/70/77/179107077.db2.gz IHRMUHFNVMZVJQ-ZFWWWQNUSA-N 1 3 278.444 2.290 10 0 CEAEHO Cc1nccn1CC[N@H+]1C[C@@H](C(C)(C)C)NCC[C@@H]1C ZINC000085624311 179107079 /nfs/dbraw/zinc/10/70/79/179107079.db2.gz IHRMUHFNVMZVJQ-ZFWWWQNUSA-N 1 3 278.444 2.290 10 0 CEAEHO Cc1nccn1CC[N@@H+]1C[C@@H](C(C)(C)C)NCC[C@@H]1C ZINC000085624311 179107081 /nfs/dbraw/zinc/10/70/81/179107081.db2.gz IHRMUHFNVMZVJQ-ZFWWWQNUSA-N 1 3 278.444 2.290 10 0 CEAEHO C[C@@H]1CC[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CCCO1 ZINC000085624327 179107128 /nfs/dbraw/zinc/10/71/28/179107128.db2.gz HVIDODIXTBRKFF-RDBSUJKOSA-N 1 3 254.418 2.264 10 0 CEAEHO C[C@@H]1CCN[C@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085624327 179107130 /nfs/dbraw/zinc/10/71/30/179107130.db2.gz HVIDODIXTBRKFF-RDBSUJKOSA-N 1 3 254.418 2.264 10 0 CEAEHO C[C@@H]1CCN[C@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCCO1 ZINC000085624327 179107132 /nfs/dbraw/zinc/10/71/32/179107132.db2.gz HVIDODIXTBRKFF-RDBSUJKOSA-N 1 3 254.418 2.264 10 0 CEAEHO CC[C@H]1CN[C@H](C(C)C)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086173702 179244025 /nfs/dbraw/zinc/24/40/25/179244025.db2.gz QQPPEAIKAZMYBL-PMPSAXMXSA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@H]1CN[C@H](C(C)C)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086173702 179244026 /nfs/dbraw/zinc/24/40/26/179244026.db2.gz QQPPEAIKAZMYBL-PMPSAXMXSA-N 1 3 267.461 2.037 10 0 CEAEHO C[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1C1CCN(C)CC1 ZINC000086217823 179249346 /nfs/dbraw/zinc/24/93/46/179249346.db2.gz JORVJRSHZZPYHD-PBHICJAKSA-N 1 3 279.472 2.323 10 0 CEAEHO C[C@@H]1CN[C@H](C2CCCCC2)C[N@@H+]1C1CCN(C)CC1 ZINC000086217823 179249348 /nfs/dbraw/zinc/24/93/48/179249348.db2.gz JORVJRSHZZPYHD-PBHICJAKSA-N 1 3 279.472 2.323 10 0 CEAEHO C[C@@H]1CN[C@H](C2CCCCC2)C[N@H+]1C1CCN(C)CC1 ZINC000086217823 179249350 /nfs/dbraw/zinc/24/93/50/179249350.db2.gz JORVJRSHZZPYHD-PBHICJAKSA-N 1 3 279.472 2.323 10 0 CEAEHO CC[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1[C@@H](C)CCN(C)C ZINC000086227530 179254350 /nfs/dbraw/zinc/25/43/50/179254350.db2.gz FNQOMLCQGUKKOC-IMJJTQAJSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1CN[C@](C)(C2CC2)C[N@H+]1[C@@H](C)CCN(C)C ZINC000086227530 179254351 /nfs/dbraw/zinc/25/43/51/179254351.db2.gz FNQOMLCQGUKKOC-IMJJTQAJSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1CN[C@](C)(CC)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259244 179257733 /nfs/dbraw/zinc/25/77/33/179257733.db2.gz ZCCCPRRITZEIML-OWCLPIDISA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@H]1CN[C@](C)(CC)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259244 179257736 /nfs/dbraw/zinc/25/77/36/179257736.db2.gz ZCCCPRRITZEIML-OWCLPIDISA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@@H]1CN[C@H](CC(C)C)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259277 179258207 /nfs/dbraw/zinc/25/82/07/179258207.db2.gz GPWJOCOWKYWPGZ-BRWVUGGUSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@@H]1CN[C@H](CC(C)C)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259277 179258208 /nfs/dbraw/zinc/25/82/08/179258208.db2.gz GPWJOCOWKYWPGZ-BRWVUGGUSA-N 1 3 281.488 2.427 10 0 CEAEHO C[C@@H]1C[NH2+]C2(CCCCC2)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259613 179258776 /nfs/dbraw/zinc/25/87/76/179258776.db2.gz CBZOVDIZHNXXNF-GDBMZVCRSA-N 1 3 277.456 2.220 10 0 CEAEHO C1CCC([C@H]2CN([C@@H]3CN4CCC3CC4)CCC[NH2+]2)CC1 ZINC000086285955 179264515 /nfs/dbraw/zinc/26/45/15/179264515.db2.gz ZDJFUSDJRWUCEJ-QZTJIDSGSA-N 1 3 291.483 2.325 10 0 CEAEHO CCC1(CC)C[N@H+](CCc2ccncc2)CCCN1 ZINC000086288776 179264529 /nfs/dbraw/zinc/26/45/29/179264529.db2.gz DHMRHYKNEZBZKE-UHFFFAOYSA-N 1 3 261.413 2.478 10 0 CEAEHO CCC1(CC)C[N@@H+](CCc2ccncc2)CCCN1 ZINC000086288776 179264530 /nfs/dbraw/zinc/26/45/30/179264530.db2.gz DHMRHYKNEZBZKE-UHFFFAOYSA-N 1 3 261.413 2.478 10 0 CEAEHO CC[C@@H]1CN[C@](C)(CC)C[N@@H+]1CC1CCN(C)CC1 ZINC000086259056 179257325 /nfs/dbraw/zinc/25/73/25/179257325.db2.gz LPIZUJNNCSGGQP-HZPDHXFCSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@@H]1CN[C@](C)(CC)C[N@H+]1CC1CCN(C)CC1 ZINC000086259056 179257327 /nfs/dbraw/zinc/25/73/27/179257327.db2.gz LPIZUJNNCSGGQP-HZPDHXFCSA-N 1 3 267.461 2.181 10 0 CEAEHO c1ccc([C@@H]2C[N@H+]([C@@H]3CCN(C4CC4)C3)CCCN2)cc1 ZINC000086291983 179266073 /nfs/dbraw/zinc/26/60/73/179266073.db2.gz UEMNFOYMAIZEIA-MSOLQXFVSA-N 1 3 285.435 2.260 10 0 CEAEHO c1ccc([C@@H]2C[N@@H+]([C@@H]3CCN(C4CC4)C3)CCCN2)cc1 ZINC000086291983 179266074 /nfs/dbraw/zinc/26/60/74/179266074.db2.gz UEMNFOYMAIZEIA-MSOLQXFVSA-N 1 3 285.435 2.260 10 0 CEAEHO CCC1(CC)C[N@H+](C[C@H]2CCCN(C)C2)CCCN1 ZINC000086291640 179266227 /nfs/dbraw/zinc/26/62/27/179266227.db2.gz JJFKASIPXBEFNH-HNNXBMFYSA-N 1 3 267.461 2.182 10 0 CEAEHO CCC1(CC)C[N@@H+](C[C@H]2CCCN(C)C2)CCCN1 ZINC000086291640 179266229 /nfs/dbraw/zinc/26/62/29/179266229.db2.gz JJFKASIPXBEFNH-HNNXBMFYSA-N 1 3 267.461 2.182 10 0 CEAEHO CC(C)CN1CCN(c2nc3c(s2)CCC[C@H]3[NH3+])CC1 ZINC000086443968 179293605 /nfs/dbraw/zinc/29/36/05/179293605.db2.gz RWVJCGAVMVLVQM-GFCCVEGCSA-N 1 3 294.468 2.257 10 0 CEAEHO C[NH+](C)C[C@H]1CCCN1c1nc2c(s1)CCC[C@@H]2N ZINC000086443982 179294156 /nfs/dbraw/zinc/29/41/56/179294156.db2.gz DIGZSRFXYXDEJH-MNOVXSKESA-N 1 3 280.441 2.010 10 0 CEAEHO CN1CCC[C@@H]([NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC000086818785 179347688 /nfs/dbraw/zinc/34/76/88/179347688.db2.gz ZTJKYNLKZGXFJB-CQSZACIVSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[N@H+](C1CCCCC1)[C@@]1(CN)CCCN(C)CC1 ZINC000086819224 179348400 /nfs/dbraw/zinc/34/84/00/179348400.db2.gz QZUIBFNAMBTOCK-INIZCTEOSA-N 1 3 267.461 2.454 10 0 CEAEHO CC[N@@H+](C1CCCCC1)[C@@]1(CN)CCCN(C)CC1 ZINC000086819224 179348401 /nfs/dbraw/zinc/34/84/01/179348401.db2.gz QZUIBFNAMBTOCK-INIZCTEOSA-N 1 3 267.461 2.454 10 0 CEAEHO CC1CCN(CCC[NH2+][C@H]2CCCN(C)CC2)CC1 ZINC000086817372 179344340 /nfs/dbraw/zinc/34/43/40/179344340.db2.gz PVVCHEBMLZVNEL-INIZCTEOSA-N 1 3 267.461 2.182 10 0 CEAEHO CC(C)C[C@H](C[NH2+][C@@H]1CCCN(C)CC1)N(C)C ZINC000086817430 179344923 /nfs/dbraw/zinc/34/49/23/179344923.db2.gz VLRHFEFXGQSLJQ-HUUCEWRRSA-N 1 3 255.450 2.037 10 0 CEAEHO COc1ccc(C[NH2+][C@@H]2CCCN(C)CC2)cc1OC ZINC000086817244 179345200 /nfs/dbraw/zinc/34/52/00/179345200.db2.gz HESVDIAGIHSLHR-CQSZACIVSA-N 1 3 278.396 2.278 10 0 CEAEHO CC(C)N1CCC[C@@H]([NH2+]CCc2cccnc2)CC1 ZINC000086840918 179352665 /nfs/dbraw/zinc/35/26/65/179352665.db2.gz SIHSWGOUTJDDID-MRXNPFEDSA-N 1 3 261.413 2.477 10 0 CEAEHO CC(C)[N@@H+]1CCC[C@@H](NCCc2cccnc2)CC1 ZINC000086840918 179352666 /nfs/dbraw/zinc/35/26/66/179352666.db2.gz SIHSWGOUTJDDID-MRXNPFEDSA-N 1 3 261.413 2.477 10 0 CEAEHO CC(C)[N@H+]1CCC[C@@H](NCCc2cccnc2)CC1 ZINC000086840918 179352667 /nfs/dbraw/zinc/35/26/67/179352667.db2.gz SIHSWGOUTJDDID-MRXNPFEDSA-N 1 3 261.413 2.477 10 0 CEAEHO CCN1CCC[C@H]([NH2+]CCc2cscn2)CC1 ZINC000086845129 179355461 /nfs/dbraw/zinc/35/54/61/179355461.db2.gz NVRRTJDBBBVHTF-LBPRGKRZSA-N 1 3 253.415 2.150 10 0 CEAEHO CC[N@@H+]1CCC[C@H](NCCc2cscn2)CC1 ZINC000086845129 179355462 /nfs/dbraw/zinc/35/54/62/179355462.db2.gz NVRRTJDBBBVHTF-LBPRGKRZSA-N 1 3 253.415 2.150 10 0 CEAEHO CC[N@H+]1CCC[C@H](NCCc2cscn2)CC1 ZINC000086845129 179355464 /nfs/dbraw/zinc/35/54/64/179355464.db2.gz NVRRTJDBBBVHTF-LBPRGKRZSA-N 1 3 253.415 2.150 10 0 CEAEHO CCN1CCC[C@@](CO)([NH2+]Cc2cccs2)CC1 ZINC000086868246 179360194 /nfs/dbraw/zinc/36/01/94/179360194.db2.gz FUQFYMMMUQNLKZ-CQSZACIVSA-N 1 3 268.426 2.075 10 0 CEAEHO CCN(Cc1ccccc1)[C@@]1(C[NH3+])CCCOCC1 ZINC000086874894 179364449 /nfs/dbraw/zinc/36/44/49/179364449.db2.gz KZTYETKHVSWCJS-INIZCTEOSA-N 1 3 262.397 2.407 10 0 CEAEHO CCN1CCC[C@](CN)([NH+](CC2CC2)CC2CC2)CC1 ZINC000086848924 179358566 /nfs/dbraw/zinc/35/85/66/179358566.db2.gz OUZPRQVDHCFUFJ-KRWDZBQOSA-N 1 3 279.472 2.312 10 0 CEAEHO C[C@@H]1CCC[C@](CN)([N@@H+]2CC[C@H](N3CCCC3)C2)CC1 ZINC000086891392 179366195 /nfs/dbraw/zinc/36/61/95/179366195.db2.gz BYFAPIZCQPXVRE-IKGGRYGDSA-N 1 3 279.472 2.454 10 0 CEAEHO C[C@@H]1CCC[C@](CN)([N@H+]2CC[C@H](N3CCCC3)C2)CC1 ZINC000086891392 179366197 /nfs/dbraw/zinc/36/61/97/179366197.db2.gz BYFAPIZCQPXVRE-IKGGRYGDSA-N 1 3 279.472 2.454 10 0 CEAEHO CC[C@@H]1CCC[C@](CO)(N2CCC[NH2+]CC2)CC1 ZINC000086920917 179368053 /nfs/dbraw/zinc/36/80/53/179368053.db2.gz IUMIFPZCPYTOBG-CABCVRRESA-N 1 3 254.418 2.003 10 0 CEAEHO c1[nH]c2ccccc2c1CC[NH2+][C@H]1CCCNCC1 ZINC000128882022 187396136 /nfs/dbraw/zinc/39/61/36/187396136.db2.gz ADGLBVVYORXMMH-AWEZNQCLSA-N 1 3 257.381 2.442 10 0 CEAEHO c1[nH]c2ccccc2c1CCN[C@H]1CCC[NH2+]CC1 ZINC000128882022 187396137 /nfs/dbraw/zinc/39/61/37/187396137.db2.gz ADGLBVVYORXMMH-AWEZNQCLSA-N 1 3 257.381 2.442 10 0 CEAEHO CCOC(=O)c1ccccc1[C@H]1CCC[N@H+](CCN)CC1 ZINC000616600249 348530560 /nfs/dbraw/zinc/53/05/60/348530560.db2.gz GFCOQLBBHSHKFZ-AWEZNQCLSA-N 1 3 290.407 2.392 10 0 CEAEHO CCOC(=O)c1ccccc1[C@H]1CCC[N@@H+](CCN)CC1 ZINC000616600249 348530562 /nfs/dbraw/zinc/53/05/62/348530562.db2.gz GFCOQLBBHSHKFZ-AWEZNQCLSA-N 1 3 290.407 2.392 10 0 CEAEHO CCC[NH2+][C@H]1CCCCC[C@@H]1CN(C)CCN(C)C ZINC000104188010 185920844 /nfs/dbraw/zinc/92/08/44/185920844.db2.gz VVUHRWQDLBIRLT-CVEARBPZSA-N 1 3 269.477 2.428 10 0 CEAEHO C[C@@]1(C[N@H+](Cc2cccs2)C2CC2)COC[C@@H]1N ZINC000090606830 180011329 /nfs/dbraw/zinc/01/13/29/180011329.db2.gz FHSOEOFTWPQNMH-UONOGXRCSA-N 1 3 266.410 2.076 10 0 CEAEHO C[C@@]1(C[N@@H+](Cc2cccs2)C2CC2)COC[C@@H]1N ZINC000090606830 180011330 /nfs/dbraw/zinc/01/13/30/180011330.db2.gz FHSOEOFTWPQNMH-UONOGXRCSA-N 1 3 266.410 2.076 10 0 CEAEHO CC[N@H+](C[C@@H]1Cc2ccccc2O1)C1CCNCC1 ZINC000090876222 180051041 /nfs/dbraw/zinc/05/10/41/180051041.db2.gz DKXCHTDHKXWTAE-HNNXBMFYSA-N 1 3 260.381 2.064 10 0 CEAEHO CC[N@@H+](C[C@@H]1Cc2ccccc2O1)C1CCNCC1 ZINC000090876222 180051042 /nfs/dbraw/zinc/05/10/42/180051042.db2.gz DKXCHTDHKXWTAE-HNNXBMFYSA-N 1 3 260.381 2.064 10 0 CEAEHO C[C@@H]1CCN[C@@H](C2CC2)C[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090878340 180051675 /nfs/dbraw/zinc/05/16/75/180051675.db2.gz NWMRJCNIXYBCRM-XOKHGSTOSA-N 1 3 286.419 2.453 10 0 CEAEHO C[C@@H]1CCN[C@@H](C2CC2)C[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090878340 180051676 /nfs/dbraw/zinc/05/16/76/180051676.db2.gz NWMRJCNIXYBCRM-XOKHGSTOSA-N 1 3 286.419 2.453 10 0 CEAEHO C[NH+](C)CC(C)(C)CNC[C@H]1Cc2cc(F)ccc2O1 ZINC000090891898 180053991 /nfs/dbraw/zinc/05/39/91/180053991.db2.gz YQJMFRIQPMUDRI-CQSZACIVSA-N 1 3 280.387 2.307 10 0 CEAEHO C[NH2+]CC1CCN(C[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090893513 180055264 /nfs/dbraw/zinc/05/52/64/180055264.db2.gz VORZUMMGCYBXGX-HNNXBMFYSA-N 1 3 278.371 2.061 10 0 CEAEHO C[C@@H](CCC[NH2+]C(C)(C)C)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090907813 180062459 /nfs/dbraw/zinc/06/24/59/180062459.db2.gz PCGVPZIYOWKVDQ-MELADBBJSA-N 1 3 254.418 2.406 10 0 CEAEHO CC(C)CNCc1nccn1CCC[NH+]1CCCC1 ZINC000091002706 180084084 /nfs/dbraw/zinc/08/40/84/180084084.db2.gz RVECQPNDLIHPOF-UHFFFAOYSA-N 1 3 264.417 2.115 10 0 CEAEHO CCC[C@@H](C[NH3+])C1(O)CCN(Cc2ccccc2)CC1 ZINC000669377126 539758463 /nfs/dbraw/zinc/75/84/63/539758463.db2.gz HAIZILGNUQAUAD-INIZCTEOSA-N 1 3 276.424 2.389 10 0 CEAEHO C[NH+](C)[C@@H]1CCCN(c2nc(C(C)(C)C)c(CN)s2)C1 ZINC000091432405 180153573 /nfs/dbraw/zinc/15/35/73/180153573.db2.gz KXCATZOXKZTOGW-LLVKDONJSA-N 1 3 296.484 2.430 10 0 CEAEHO Cc1nc(N2CCC[C@H]([NH+](C)C)C2)sc1CNC1CC1 ZINC000091431997 180153816 /nfs/dbraw/zinc/15/38/16/180153816.db2.gz CPDYGKOMADWVIS-ZDUSSCGKSA-N 1 3 294.468 2.234 10 0 CEAEHO CN1CCCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000624122335 350200196 /nfs/dbraw/zinc/20/01/96/350200196.db2.gz ONUQCDANPQBGFG-KBUPBQIOSA-N 1 3 266.429 2.121 10 0 CEAEHO C[C@@H]1CCC[C@](C(=O)Cc2c[nH+]ccc2N)(N(C)C)C1 ZINC000091650333 180216253 /nfs/dbraw/zinc/21/62/53/180216253.db2.gz VZYFCEVRQGTGGM-WBMJQRKESA-N 1 3 275.396 2.286 10 0 CEAEHO CCN(CC(=O)N1[C@@H](C)CCC[C@@H]1C)C1CCC([NH3+])CC1 ZINC000091850828 180272048 /nfs/dbraw/zinc/27/20/48/180272048.db2.gz AYUJUUOHWRQQNR-FXQLRMTLSA-N 1 3 295.471 2.368 10 0 CEAEHO CCN(Cc1c(C)noc1C)C1CCC([NH3+])CC1 ZINC000091850088 180272267 /nfs/dbraw/zinc/27/22/67/180272267.db2.gz GKJPJNPZDRZVSU-UHFFFAOYSA-N 1 3 251.374 2.383 10 0 CEAEHO CCC[NH2+]C1CCC(N(C)CC(=O)N(CC)CC)CC1 ZINC000091870141 180277393 /nfs/dbraw/zinc/27/73/93/180277393.db2.gz HAIVXGJOLCHQRG-UHFFFAOYSA-N 1 3 283.460 2.097 10 0 CEAEHO CCCC1CCC(C[NH3+])(C2(O)CCN(C)CC2)CC1 ZINC000091906258 180284088 /nfs/dbraw/zinc/28/40/88/180284088.db2.gz MHFBORSDPLQLOH-UHFFFAOYSA-N 1 3 268.445 2.379 10 0 CEAEHO Cc1ccc(O)c(CN(C)[C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000091996218 180302446 /nfs/dbraw/zinc/30/24/46/180302446.db2.gz ZOZGXGWBIPMCGJ-OCCSQVGLSA-N 1 3 263.385 2.045 10 0 CEAEHO CCCNCc1cccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000092003329 180304166 /nfs/dbraw/zinc/30/41/66/180304166.db2.gz XYWYHUKGUYZPIS-CVEARBPZSA-N 1 3 288.439 2.254 10 0 CEAEHO CCCNCc1cccc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000092003329 180304167 /nfs/dbraw/zinc/30/41/67/180304167.db2.gz XYWYHUKGUYZPIS-CVEARBPZSA-N 1 3 288.439 2.254 10 0 CEAEHO CNCc1cc(F)ccc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092002217 180304710 /nfs/dbraw/zinc/30/47/10/180304710.db2.gz IBSXUWBUMYFFBP-CABCVRRESA-N 1 3 277.387 2.218 10 0 CEAEHO CNCc1cc(F)ccc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092002217 180304711 /nfs/dbraw/zinc/30/47/11/180304711.db2.gz IBSXUWBUMYFFBP-CABCVRRESA-N 1 3 277.387 2.218 10 0 CEAEHO C[NH+](C)C[C@H]1CCCN1c1cc(CN)nc2ccccc21 ZINC000109589494 186265197 /nfs/dbraw/zinc/26/51/97/186265197.db2.gz RDUPRCYFROGLIS-CQSZACIVSA-N 1 3 284.407 2.224 10 0 CEAEHO CCCN(CCN(C)C)[C@@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000110977706 186339065 /nfs/dbraw/zinc/33/90/65/186339065.db2.gz FGJIRASYYSDQQZ-INIZCTEOSA-N 1 3 281.419 2.408 10 0 CEAEHO CC[C@@H]1CN([C@@H](c2cccc(OC)c2)[C@@H](C)[NH3+])CCN1C ZINC000110703918 186314109 /nfs/dbraw/zinc/31/41/09/186314109.db2.gz ORPVWMJRFRRPAG-FRFSOERESA-N 1 3 291.439 2.110 10 0 CEAEHO CC[C@H]1CN([C@@H](C[NH3+])c2cccc(C)c2)CCN1C ZINC000110703803 186314445 /nfs/dbraw/zinc/31/44/45/186314445.db2.gz IOYQCNVWIJIRCA-HOTGVXAUSA-N 1 3 261.413 2.021 10 0 CEAEHO Cc1ccccc1[C@H]([C@H](C)[NH3+])N1CCN(C)C(C)(C)C1 ZINC000110704916 186314801 /nfs/dbraw/zinc/31/48/01/186314801.db2.gz WPZXZWVNKPMRGH-HOCLYGCPSA-N 1 3 275.440 2.409 10 0 CEAEHO C[C@@H](c1ccccc1)[C@H](C[NH3+])N1CCN(C)C(C)(C)C1 ZINC000110711747 186315834 /nfs/dbraw/zinc/31/58/34/186315834.db2.gz NSPSFPRERFUEAK-HOCLYGCPSA-N 1 3 275.440 2.143 10 0 CEAEHO Cc1ccc([C@@H](C[NH3+])N2CCN(C)C(C)(C)C2)c(C)c1 ZINC000110712168 186316312 /nfs/dbraw/zinc/31/63/12/186316312.db2.gz YTKYYAOITCHZKH-MRXNPFEDSA-N 1 3 275.440 2.329 10 0 CEAEHO CC[NH2+][C@@H](CN1CCN(C)[C@@H](CC)C1)C(C)(C)C ZINC000110715859 186316590 /nfs/dbraw/zinc/31/65/90/186316590.db2.gz OCUJVALZHBDAHF-KBPBESRZSA-N 1 3 255.450 2.037 10 0 CEAEHO CCN1CCN([C@@H](CC(N)=[NH2+])c2ccccc2)C[C@@H]1C ZINC000110722173 186317124 /nfs/dbraw/zinc/31/71/24/186317124.db2.gz QCPZYWHSXHRMDW-ZFWWWQNUSA-N 1 3 274.412 2.080 10 0 CEAEHO C[NH2+][C@@H](CCN1CCN(C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000110744339 186318641 /nfs/dbraw/zinc/31/86/41/186318641.db2.gz DDDIGDVKLYYNCF-BBRMVZONSA-N 1 3 279.403 2.112 10 0 CEAEHO Cc1ccccc1[C@@H]([NH3+])CCN1CCN(C)C(C)(C)C1 ZINC000110746765 186319204 /nfs/dbraw/zinc/31/92/04/186319204.db2.gz BNPWIUDHRUWHIW-INIZCTEOSA-N 1 3 275.440 2.411 10 0 CEAEHO CC[C@@H]1CN(Cc2ccc(C[NH2+]C3CC3)cc2)CCN1C ZINC000110753817 186319982 /nfs/dbraw/zinc/31/99/82/186319982.db2.gz BSGKGFZWEAHTAL-GOSISDBHSA-N 1 3 287.451 2.465 10 0 CEAEHO CC[C@@H]1CN(CC[NH2+][C@@H](C)CCC(C)C)CCN1C ZINC000110757113 186322052 /nfs/dbraw/zinc/32/20/52/186322052.db2.gz KLRTVIXXNFOJCU-JKSUJKDBSA-N 1 3 269.477 2.427 10 0 CEAEHO CCC[NH2+]Cc1sc(N(C)CCN(C)C)nc1CC ZINC000111151904 186360427 /nfs/dbraw/zinc/36/04/27/186360427.db2.gz ZVIGQMJYLOAULZ-UHFFFAOYSA-N 1 3 284.473 2.203 10 0 CEAEHO CC(C)NCc1coc(CN(C)CCC[NH+](C)C)c1 ZINC000111150304 186360477 /nfs/dbraw/zinc/36/04/77/186360477.db2.gz FPGYXGCJWUQMKE-UHFFFAOYSA-N 1 3 267.417 2.161 10 0 CEAEHO CN(C)CCN(C)c1ncc(C[NH2+]C(C)(C)C)s1 ZINC000111151302 186361136 /nfs/dbraw/zinc/36/11/36/186361136.db2.gz QEDUAOHXOUJHMU-UHFFFAOYSA-N 1 3 270.446 2.029 10 0 CEAEHO CC[NH2+][C@@H](CN(C)CCN(C)C)c1cc(C)ccc1C ZINC000111134947 186357397 /nfs/dbraw/zinc/35/73/97/186357397.db2.gz MHJREYKEUKVEGO-KRWDZBQOSA-N 1 3 277.456 2.447 10 0 CEAEHO CCN[C@H](CN(C)CCC[NH+](C)C)c1ccccc1OC ZINC000111135940 186357504 /nfs/dbraw/zinc/35/75/04/186357504.db2.gz OVZPZRFDEIQDAH-MRXNPFEDSA-N 1 3 293.455 2.229 10 0 CEAEHO CC(C)[NH2+]Cc1ccccc1CN(C)CCN(C)C ZINC000111149556 186358926 /nfs/dbraw/zinc/35/89/26/186358926.db2.gz RPUSFPOYTDAORL-UHFFFAOYSA-N 1 3 263.429 2.178 10 0 CEAEHO CCC[NH2+][C@H]1CCCC[C@H]1CN(C)CCN(C)C ZINC000111147390 186359008 /nfs/dbraw/zinc/35/90/08/186359008.db2.gz ZWBHOZSRHJAJJS-GJZGRUSLSA-N 1 3 255.450 2.038 10 0 CEAEHO CCC[NH2+][C@@H]1CCN(CC2CCOCC2)C[C@@H]1C ZINC000111164246 186363721 /nfs/dbraw/zinc/36/37/21/186363721.db2.gz LBDWIHRLCRCGKY-DZGCQCFKSA-N 1 3 254.418 2.123 10 0 CEAEHO CN(CC1CCOCC1)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000111164140 186364237 /nfs/dbraw/zinc/36/42/37/186364237.db2.gz CSBRHPVBXGSBEF-HNNXBMFYSA-N 1 3 275.396 2.412 10 0 CEAEHO CN(CC1CCOCC1)C[C@@]1(C[NH2+]C(C)(C)C)CCOC1 ZINC000111172947 186364621 /nfs/dbraw/zinc/36/46/21/186364621.db2.gz LGFBHUMQOOZZIY-KRWDZBQOSA-N 1 3 298.471 2.140 10 0 CEAEHO C[NH2+][C@H](CCN(C)CC1CCOCC1)C(C)(C)C ZINC000111172677 186365844 /nfs/dbraw/zinc/36/58/44/186365844.db2.gz WSJVNFBNORLTAP-CQSZACIVSA-N 1 3 256.434 2.369 10 0 CEAEHO CC(C)[NH2+]C[C@]1(CN2CCCC[C@@H]2CCO)CCCOC1 ZINC000111324390 186397334 /nfs/dbraw/zinc/39/73/34/186397334.db2.gz NGKLGQUSAFIELF-SJORKVTESA-N 1 3 298.471 2.018 10 0 CEAEHO CCCN(CCN(C)C)C[C@]1(C[NH2+]C(C)C)CCCOC1 ZINC000111327472 186398376 /nfs/dbraw/zinc/39/83/76/186398376.db2.gz DZNIGLKCPIRGGO-QGZVFWFLSA-N 1 3 299.503 2.055 10 0 CEAEHO CCCN(C)C[C@@]1(C[NH2+]CC(C)C)CCCOC1 ZINC000111324797 186398518 /nfs/dbraw/zinc/39/85/18/186398518.db2.gz AHMVGNKRUADUBA-HNNXBMFYSA-N 1 3 256.434 2.371 10 0 CEAEHO CN(CCC[NH+](C)C)c1cccc(Cl)c1CN ZINC000111238959 186374297 /nfs/dbraw/zinc/37/42/97/186374297.db2.gz HAFAPICKNQVOIW-UHFFFAOYSA-N 1 3 255.793 2.187 10 0 CEAEHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)c1 ZINC000111266777 186382487 /nfs/dbraw/zinc/38/24/87/186382487.db2.gz UXXVGHPWXSQZIY-XJKSGUPXSA-N 1 3 289.423 2.322 10 0 CEAEHO CCCCCNC(=O)[C@@H](C)N1CCC([C@H](C)[NH2+]C)CC1 ZINC000111708701 186449535 /nfs/dbraw/zinc/44/95/35/186449535.db2.gz PVWPRSKLUGBDBU-UONOGXRCSA-N 1 3 283.460 2.001 10 0 CEAEHO CCOc1cc(C[N@H+](C)C[C@@H]2CCN(C)C2)ccc1O ZINC000211474307 539827223 /nfs/dbraw/zinc/82/72/23/539827223.db2.gz VLNWWACFCVPASP-CQSZACIVSA-N 1 3 278.396 2.174 10 0 CEAEHO CCOc1cc(C[N@@H+](C)C[C@@H]2CCN(C)C2)ccc1O ZINC000211474307 539827227 /nfs/dbraw/zinc/82/72/27/539827227.db2.gz VLNWWACFCVPASP-CQSZACIVSA-N 1 3 278.396 2.174 10 0 CEAEHO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C1 ZINC000250808538 539968801 /nfs/dbraw/zinc/96/88/01/539968801.db2.gz CWOZNEXTFRSPGE-ZVDSWSACSA-N 1 3 266.429 2.190 10 0 CEAEHO O[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250808538 539968804 /nfs/dbraw/zinc/96/88/04/539968804.db2.gz CWOZNEXTFRSPGE-ZVDSWSACSA-N 1 3 266.429 2.190 10 0 CEAEHO [NH3+]CCCC[C@H]([NH3+])c1cc([O-])ccc1Br ZINC000575440162 366287521 /nfs/dbraw/zinc/28/75/21/366287521.db2.gz LTTRUAMAPHFEMW-NSHDSACASA-N 1 3 273.174 2.284 10 0 CEAEHO C[C@H](NCCc1cccc2cccnc21)[C@H]1CC[NH2+]C1 ZINC000400331541 299300923 /nfs/dbraw/zinc/30/09/23/299300923.db2.gz BZYXDPXNTBCDDZ-BBRMVZONSA-N 1 3 269.392 2.365 10 0 CEAEHO [NH3+]CCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000002383480 361233480 /nfs/dbraw/zinc/23/34/80/361233480.db2.gz KEYKSGMTHPRQBZ-UHFFFAOYSA-N 1 3 267.804 2.201 10 0 CEAEHO CC(C)N1CCN(C2CC[NH+](C3CCC3)CC2)CC1 ZINC000336511954 213387975 /nfs/dbraw/zinc/38/79/75/213387975.db2.gz ANCRDWKZTQVVKD-UHFFFAOYSA-N 1 3 265.445 2.029 10 0 CEAEHO CCC[C@H](N)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000236813331 370632886 /nfs/dbraw/zinc/63/28/86/370632886.db2.gz SUCCNPHBMFHTFP-INIZCTEOSA-N 1 3 295.471 2.228 10 0 CEAEHO Cc1ccc(C)c(OCCN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261705946 371707534 /nfs/dbraw/zinc/70/75/34/371707534.db2.gz IYYWYKYXPCFQIV-JYJNAYRXSA-N 1 3 274.408 2.351 10 0 CEAEHO C[C@@H](NCC1C[C@@H](C)O[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423098047 376990726 /nfs/dbraw/zinc/99/07/26/376990726.db2.gz JUMWREJQLZLYJX-RGCMKSIDSA-N 1 3 254.418 2.310 10 0 CEAEHO CC(C)(C)[C@H](O)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298251235 378696125 /nfs/dbraw/zinc/69/61/25/378696125.db2.gz DLDOJMRNMLHHMX-OAHLLOKOSA-N 1 3 277.412 2.047 10 0 CEAEHO OC[C@H]1CCC[C@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000089495841 135059294 /nfs/dbraw/zinc/05/92/94/135059294.db2.gz LYTJXPYFSLOKJY-LSDHHAIUSA-N 1 3 289.423 2.049 10 0 CEAEHO C[NH+](C)[C@@H]1CCCN(c2nc(CN)cc3ccccc32)C1 ZINC000091430827 135070042 /nfs/dbraw/zinc/07/00/42/135070042.db2.gz ZIVRAZLWINJAPE-OAHLLOKOSA-N 1 3 284.407 2.224 10 0 CEAEHO [NH3+][C@H]1C=C[C@@H](CN2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000092208964 135076168 /nfs/dbraw/zinc/07/61/68/135076168.db2.gz ICNRQDPZXQLCJF-HIFRSBDPSA-N 1 3 291.826 2.365 10 0 CEAEHO C[C@H](NCCc1cccc(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000415095256 394888132 /nfs/dbraw/zinc/88/81/32/394888132.db2.gz ZELHZDARFHDNBV-WCQYABFASA-N 1 3 252.789 2.470 10 0 CEAEHO C[C@@H](NCCc1cccc(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000415095257 394888203 /nfs/dbraw/zinc/88/82/03/394888203.db2.gz ZELHZDARFHDNBV-YPMHNXCESA-N 1 3 252.789 2.470 10 0 CEAEHO CC(C)(C)CCN1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000165700469 162343027 /nfs/dbraw/zinc/34/30/27/162343027.db2.gz MCWCZBPYNSSYOU-LSDHHAIUSA-N 1 3 295.471 2.084 10 0 CEAEHO CCN1CCC[C@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000177030678 165184973 /nfs/dbraw/zinc/18/49/73/165184973.db2.gz ZGLJTJDJHHOINB-INIZCTEOSA-N 1 3 295.471 2.050 10 0 CEAEHO CN(CC(=O)Nc1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000022222830 171379167 /nfs/dbraw/zinc/37/91/67/171379167.db2.gz OYIVNLOQIRXFGU-UHFFFAOYSA-N 1 3 275.396 2.348 10 0 CEAEHO CC[C@H]([NH3+])[C@@H](c1ccco1)N(C)C1CCN(C)CC1 ZINC000043334452 175010365 /nfs/dbraw/zinc/01/03/65/175010365.db2.gz JZPXRGMXFKWWLM-ZFWWWQNUSA-N 1 3 265.401 2.084 10 0 CEAEHO Cc1cc(C)cc([C@H](C[NH3+])N2CCN(CC3CC3)CC2)c1 ZINC000043394402 175034998 /nfs/dbraw/zinc/03/49/98/175034998.db2.gz KBWLWUINLMSSDD-SFHVURJKSA-N 1 3 287.451 2.331 10 0 CEAEHO c1ccc(OCC[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000043458097 175050454 /nfs/dbraw/zinc/05/04/54/175050454.db2.gz GTZIAHFDFWZXKT-AWEZNQCLSA-N 1 3 260.381 2.139 10 0 CEAEHO c1ccc(OCCNC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000043458097 175050456 /nfs/dbraw/zinc/05/04/56/175050456.db2.gz GTZIAHFDFWZXKT-AWEZNQCLSA-N 1 3 260.381 2.139 10 0 CEAEHO c1ccc(OCCNC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000043458097 175050458 /nfs/dbraw/zinc/05/04/58/175050458.db2.gz GTZIAHFDFWZXKT-AWEZNQCLSA-N 1 3 260.381 2.139 10 0 CEAEHO CCCN1CCN([C@@H](C)[C@@H]([NH2+]C)c2ccccc2)CC1 ZINC000043805214 175107915 /nfs/dbraw/zinc/10/79/15/175107915.db2.gz JYUMMGUCPFFKCS-DOTOQJQBSA-N 1 3 275.440 2.363 10 0 CEAEHO CC[NH2+][C@@H](CN(C)C1CCN(C)CC1)C(C)(C)C ZINC000043815312 175112151 /nfs/dbraw/zinc/11/21/51/175112151.db2.gz HLBOVMBAZISCIU-AWEZNQCLSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N(C)C1CCN(C)CC1 ZINC000043815348 175112523 /nfs/dbraw/zinc/11/25/23/175112523.db2.gz ASIDSLZKTLAGCK-ZWKOTPCHSA-N 1 3 287.451 2.288 10 0 CEAEHO CC[NH2+][C@@H](c1ccccc1)[C@H](C)N1CCCN(C)CC1 ZINC000043818308 175113034 /nfs/dbraw/zinc/11/30/34/175113034.db2.gz ZQCAMCNAHSJPHR-DOTOQJQBSA-N 1 3 275.440 2.363 10 0 CEAEHO CCC[NH2+][C@H](CN1CCN(C(C)C)CC1)C(C)(C)C ZINC000043897160 175119952 /nfs/dbraw/zinc/11/99/52/175119952.db2.gz YLDZAMIUMQMTAA-OAHLLOKOSA-N 1 3 269.477 2.427 10 0 CEAEHO C[N@H+](CCC(=O)Nc1cccc(CN)c1)CC(C)(C)C ZINC000045068533 175300727 /nfs/dbraw/zinc/30/07/27/175300727.db2.gz PAPHOZBBPXMNOY-UHFFFAOYSA-N 1 3 277.412 2.452 10 0 CEAEHO C[N@@H+](CCC(=O)Nc1cccc(CN)c1)CC(C)(C)C ZINC000045068533 175300729 /nfs/dbraw/zinc/30/07/29/175300729.db2.gz PAPHOZBBPXMNOY-UHFFFAOYSA-N 1 3 277.412 2.452 10 0 CEAEHO CCN[C@@](C)(CCCC[NH+]1CCCCCCC1)C(N)=O ZINC000045371449 175364229 /nfs/dbraw/zinc/36/42/29/175364229.db2.gz XVQAJPYGJVBCHU-INIZCTEOSA-N 1 3 283.460 2.276 10 0 CEAEHO CCNCc1cc(F)ccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190067 176065891 /nfs/dbraw/zinc/06/58/91/176065891.db2.gz GWFLSGXPGCGHQQ-CYBMUJFWSA-N 1 3 279.403 2.323 10 0 CEAEHO CCNCc1cc(F)ccc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190067 176065892 /nfs/dbraw/zinc/06/58/92/176065892.db2.gz GWFLSGXPGCGHQQ-CYBMUJFWSA-N 1 3 279.403 2.323 10 0 CEAEHO CC[C@@H]([C@@H](O)c1ccccc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190587 176066877 /nfs/dbraw/zinc/06/68/77/176066877.db2.gz FLUJEAHBDVTLQY-PVAVHDDUSA-N 1 3 276.424 2.382 10 0 CEAEHO CC[C@@H]([C@@H](O)c1ccccc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190587 176066878 /nfs/dbraw/zinc/06/68/78/176066878.db2.gz FLUJEAHBDVTLQY-PVAVHDDUSA-N 1 3 276.424 2.382 10 0 CEAEHO C[NH2+][C@@H]1CCCc2nc(N(C)C[C@@H]3CCN(C)C3)sc21 ZINC000071192516 176074929 /nfs/dbraw/zinc/07/49/29/176074929.db2.gz YUBPFWMSXGSOIH-VXGBXAGGSA-N 1 3 294.468 2.128 10 0 CEAEHO NC(=[NH2+])c1cc(F)ccc1CN(CCO)C1CCCCC1 ZINC000071267880 176101437 /nfs/dbraw/zinc/10/14/37/176101437.db2.gz DGPPHAQDMOVQDV-UHFFFAOYSA-N 1 3 293.386 2.237 10 0 CEAEHO Cc1nccn1CC[N@@H+]1C[C@H](C(C)(C)C)NC[C@@H]1C1CC1 ZINC000071347904 176132512 /nfs/dbraw/zinc/13/25/12/176132512.db2.gz QUBKVHSDLGBVQL-HZPDHXFCSA-N 1 3 290.455 2.290 10 0 CEAEHO Cc1nccn1CC[N@H+]1C[C@H](C(C)(C)C)NC[C@@H]1C1CC1 ZINC000071347904 176132513 /nfs/dbraw/zinc/13/25/13/176132513.db2.gz QUBKVHSDLGBVQL-HZPDHXFCSA-N 1 3 290.455 2.290 10 0 CEAEHO Cc1ccc(OCCN2CCCC2)c(C[C@H](C)[NH3+])c1 ZINC000071411876 176157418 /nfs/dbraw/zinc/15/74/18/176157418.db2.gz LLUIYFMXRWPMGI-AWEZNQCLSA-N 1 3 262.397 2.359 10 0 CEAEHO C[C@@H]1CC(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C[C@@H](C)O1 ZINC000343585565 274283257 /nfs/dbraw/zinc/28/32/57/274283257.db2.gz BVOQBXMWBOMXRS-RRCSTGOVSA-N 1 3 266.429 2.406 10 0 CEAEHO C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)CN1CCCC1 ZINC000085638265 298787268 /nfs/dbraw/zinc/78/72/68/298787268.db2.gz NEELHVFIBRPXRD-BARDWOONSA-N 1 3 266.429 2.121 10 0 CEAEHO C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)[C@H]1CCCNC1 ZINC000566967547 299032404 /nfs/dbraw/zinc/03/24/04/299032404.db2.gz GWMZKUWRQGAZHN-BHPKHCPMSA-N 1 3 254.418 2.168 10 0 CEAEHO CC(C)CN1CCN(CC[NH2+][C@H]2CCC[C@H](C)C2)CC1 ZINC000055076029 519726028 /nfs/dbraw/zinc/72/60/28/519726028.db2.gz FFSOTZTZRIINCK-IRXDYDNUSA-N 1 3 281.488 2.428 10 0 CEAEHO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CCN(C)CC ZINC000054602287 519907408 /nfs/dbraw/zinc/90/74/08/519907408.db2.gz TWBVTZJNZZJBGX-MQVJKMGUSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[NH2+]Cc1ccc(CN(CC)CCOC)cc1 ZINC000052542769 519996937 /nfs/dbraw/zinc/99/69/37/519996937.db2.gz KLLVDQRUUJUYNB-UHFFFAOYSA-N 1 3 250.386 2.264 10 0 CEAEHO CC[NH2+]Cc1cccc(CN(C)[C@@H](C)COC)c1 ZINC000052511402 520003446 /nfs/dbraw/zinc/00/34/46/520003446.db2.gz DTFUQKRDHRUPIB-ZDUSSCGKSA-N 1 3 250.386 2.263 10 0 CEAEHO CC[NH2+]Cc1ccoc1CN(C)[C@H]1CCSC1 ZINC000052453161 520010824 /nfs/dbraw/zinc/01/08/24/520010824.db2.gz VQYPFVWPRRDUOV-LBPRGKRZSA-N 1 3 254.399 2.326 10 0 CEAEHO CC[NH2+]Cc1cccc(OCCN(CC)CCOC)c1 ZINC000052542710 520006278 /nfs/dbraw/zinc/00/62/78/520006278.db2.gz HOPCAWNQNRNBCX-UHFFFAOYSA-N 1 3 280.412 2.143 10 0 CEAEHO CC[NH2+][C@@H](C)c1sc(N2CCCN(C)CC2)nc1C ZINC000054899076 520081722 /nfs/dbraw/zinc/08/17/22/520081722.db2.gz QVIPZZXOFVHSAF-NSHDSACASA-N 1 3 282.457 2.264 10 0 CEAEHO CC[NH2+][C@H]1CCCC[C@@H]1N1CCN(CC(C)C)CC1 ZINC000055079157 520213487 /nfs/dbraw/zinc/21/34/87/520213487.db2.gz QKGLPAWZFDHCMJ-HOTGVXAUSA-N 1 3 267.461 2.181 10 0 CEAEHO CCCc1nc(N2CCCN(C)CC2)sc1C[NH2+]CC ZINC000054968939 521532164 /nfs/dbraw/zinc/53/21/64/521532164.db2.gz AJXIWANEGOZEMZ-UHFFFAOYSA-N 1 3 296.484 2.347 10 0 CEAEHO CCC(CC)N(CCOC)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761631 521559246 /nfs/dbraw/zinc/55/92/46/521559246.db2.gz FEANCIBHVDPMBN-UHFFFAOYSA-N 1 3 278.400 2.003 10 0 CEAEHO CCCN(CCN(C)C)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050558621 521657565 /nfs/dbraw/zinc/65/75/65/521657565.db2.gz GMHOEVVRUPKASG-INIZCTEOSA-N 1 3 281.419 2.408 10 0 CEAEHO CC(C)C[C@H](CN(C)C)N1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602421 519335614 /nfs/dbraw/zinc/33/56/14/519335614.db2.gz QEIWIUBBJOFTPB-WTXIUTQJSA-N 1 3 267.461 2.307 10 0 CEAEHO CC(C)N1CCN(c2ccc(Cl)cc2C[NH3+])CC1 ZINC000052856876 519683676 /nfs/dbraw/zinc/68/36/76/519683676.db2.gz JEQJWLZLWAOTAG-UHFFFAOYSA-N 1 3 267.804 2.329 10 0 CEAEHO CC(C)CN(Cc1cc[nH+]c(NN)c1)CC(C)C ZINC000052718890 519718518 /nfs/dbraw/zinc/71/85/18/519718518.db2.gz VQWGZRQSTFJPSC-UHFFFAOYSA-N 1 3 250.390 2.481 10 0 CEAEHO CC(C)CN1CCN(Cc2cc(F)ccc2C[NH3+])CC1 ZINC000069401569 519726973 /nfs/dbraw/zinc/72/69/73/519726973.db2.gz HYWRVHOTNYMXMK-UHFFFAOYSA-N 1 3 279.403 2.058 10 0 CEAEHO CC(C)CN1CCN(Cc2ccc(C[NH3+])cc2F)CC1 ZINC000055077703 519727216 /nfs/dbraw/zinc/72/72/16/519727216.db2.gz WZOVYEWSOHFTPM-UHFFFAOYSA-N 1 3 279.403 2.058 10 0 CEAEHO CC(C)CN1CCN([C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000055077656 519727565 /nfs/dbraw/zinc/72/75/65/519727565.db2.gz FIZMUSQLCXMBJC-KRWDZBQOSA-N 1 3 275.440 2.350 10 0 CEAEHO CCCN1CCC([N@H+]2[C@@H]3CC[C@H]2CC(NC)C3)CC1 ZINC000054628830 519844939 /nfs/dbraw/zinc/84/49/39/519844939.db2.gz DWLMHDGBVNRRIV-VHRNVKJDSA-N 1 3 265.445 2.076 10 0 CEAEHO CCCN1CCC([N@@H+]2[C@@H]3CC[C@H]2CC(NC)C3)CC1 ZINC000054628830 519844942 /nfs/dbraw/zinc/84/49/42/519844942.db2.gz DWLMHDGBVNRRIV-VHRNVKJDSA-N 1 3 265.445 2.076 10 0 CEAEHO CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H](C)COC ZINC000054628940 519908570 /nfs/dbraw/zinc/90/85/70/519908570.db2.gz ORFWAWAVJOTAJW-FFHGMXDLSA-N 1 3 254.418 2.264 10 0 CEAEHO CCC[NH2+]CC(C)(C)CN1CCN([C@H](C)CC)CC1 ZINC000055072132 519908706 /nfs/dbraw/zinc/90/87/06/519908706.db2.gz RYNVZNKZKRQZKB-OAHLLOKOSA-N 1 3 269.477 2.428 10 0 CEAEHO CC[NH2+]CC1(CN(CCOC)[C@H](C)C2CC2)CCOCC1 ZINC000052183370 519912688 /nfs/dbraw/zinc/91/26/88/519912688.db2.gz AMHWHXNXMBAWDP-OAHLLOKOSA-N 1 3 298.471 2.140 10 0 CEAEHO CCNCC1(C[N@H+](CCOC)[C@H](C)C2CC2)CCOCC1 ZINC000052183370 519912689 /nfs/dbraw/zinc/91/26/89/519912689.db2.gz AMHWHXNXMBAWDP-OAHLLOKOSA-N 1 3 298.471 2.140 10 0 CEAEHO CCNCC1(C[N@@H+](CCOC)[C@H](C)C2CC2)CCOCC1 ZINC000052183370 519912692 /nfs/dbraw/zinc/91/26/92/519912692.db2.gz AMHWHXNXMBAWDP-OAHLLOKOSA-N 1 3 298.471 2.140 10 0 CEAEHO CCC[NH2+]Cc1ccc(COCCN(C)C)cc1 ZINC000052669819 519950397 /nfs/dbraw/zinc/95/03/97/519950397.db2.gz YDWIEKQBUFXFDP-UHFFFAOYSA-N 1 3 250.386 2.264 10 0 CEAEHO CC[NH2+]Cc1ccnc(N2CCN([C@H](C)CC)CC2)c1 ZINC000055073480 520010695 /nfs/dbraw/zinc/01/06/95/520010695.db2.gz XBMRYGNSDRUHPR-CQSZACIVSA-N 1 3 276.428 2.112 10 0 CEAEHO CCC[C@@H]([NH3+])[C@@H](CC)N1CCN(C2CCCC2)CC1 ZINC000052061256 520726190 /nfs/dbraw/zinc/72/61/90/520726190.db2.gz BGZFAQYKTSWVNL-HZPDHXFCSA-N 1 3 267.461 2.453 10 0 CEAEHO CCN(CCOC(C)C)Cc1ccccc1C[NH3+] ZINC000049259282 521126154 /nfs/dbraw/zinc/12/61/54/521126154.db2.gz JHCFUXGFNKNZCH-UHFFFAOYSA-N 1 3 250.386 2.392 10 0 CEAEHO CCN(CCOC)C1(C[NH3+])CCC(C(C)C)CC1 ZINC000054557115 521136086 /nfs/dbraw/zinc/13/60/86/521136086.db2.gz GSYCQVPRWMOFGY-UHFFFAOYSA-N 1 3 256.434 2.498 10 0 CEAEHO CCN(Cc1ccccc1)CC1(C[NH3+])CCOCC1 ZINC000052181158 521372175 /nfs/dbraw/zinc/37/21/75/521372175.db2.gz ZCPIZXHZOLNDRX-UHFFFAOYSA-N 1 3 262.397 2.264 10 0 CEAEHO CC[N@H+](Cc1ccccc1)CC1(CN)CCOCC1 ZINC000052181158 521372185 /nfs/dbraw/zinc/37/21/85/521372185.db2.gz ZCPIZXHZOLNDRX-UHFFFAOYSA-N 1 3 262.397 2.264 10 0 CEAEHO CC[N@@H+](Cc1ccccc1)CC1(CN)CCOCC1 ZINC000052181158 521372191 /nfs/dbraw/zinc/37/21/91/521372191.db2.gz ZCPIZXHZOLNDRX-UHFFFAOYSA-N 1 3 262.397 2.264 10 0 CEAEHO CCC(CC)[C@@H](CNCc1cnc(C)[nH]1)[NH+](C)C ZINC000054821549 521605210 /nfs/dbraw/zinc/60/52/10/521605210.db2.gz IMUYMCGGWBYECJ-CQSZACIVSA-N 1 3 252.406 2.174 10 0 CEAEHO CCOC1CCN(C[C@@H]2CC[C@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052484095 521656095 /nfs/dbraw/zinc/65/60/95/521656095.db2.gz NYUACUDFDWOXOH-CVEARBPZSA-N 1 3 298.471 2.423 10 0 CEAEHO C[NH+](C)CCNc1ccc(C(F)(F)F)cc1CN ZINC000053255569 521790740 /nfs/dbraw/zinc/79/07/40/521790740.db2.gz WKQLETIRCWCOCX-UHFFFAOYSA-N 1 3 261.291 2.138 10 0 CEAEHO C[NH+](C)C[C@@H]1CCCN1Cc1cc(CNC2CC2)co1 ZINC000061654625 521841874 /nfs/dbraw/zinc/84/18/74/521841874.db2.gz TTZLCXGAPRXIQQ-HNNXBMFYSA-N 1 3 277.412 2.058 10 0 CEAEHO CN(C)Cc1ccccc1NC(=O)CCC1CC[NH2+]CC1 ZINC000050943251 521933991 /nfs/dbraw/zinc/93/39/91/521933991.db2.gz NCXJPHXTDGJLER-UHFFFAOYSA-N 1 3 289.423 2.467 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@](C)(CC)C[NH2+]C)CC1 ZINC000055071829 522123881 /nfs/dbraw/zinc/12/38/81/522123881.db2.gz JQEBBDYRKQWXAV-HUUCEWRRSA-N 1 3 255.450 2.038 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000055074748 522124467 /nfs/dbraw/zinc/12/44/67/522124467.db2.gz QSEFDWGEVFLTDC-HUUCEWRRSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H]2Cc3ccccc3[C@@H]2[NH2+]C)CC1 ZINC000055065267 522132602 /nfs/dbraw/zinc/13/26/02/522132602.db2.gz WNXKOJJANRFCSA-OLMNPRSZSA-N 1 3 287.451 2.288 10 0 CEAEHO CN1CCC([N@H+](C)[C@H]2CCCCCC[C@@H]2N)CC1 ZINC000052684827 522414801 /nfs/dbraw/zinc/41/48/01/522414801.db2.gz BDFRGOAAHYFSJJ-GJZGRUSLSA-N 1 3 253.434 2.063 10 0 CEAEHO CN1CCC([N@@H+](C)[C@H]2CCCCCC[C@@H]2N)CC1 ZINC000052684827 522414813 /nfs/dbraw/zinc/41/48/13/522414813.db2.gz BDFRGOAAHYFSJJ-GJZGRUSLSA-N 1 3 253.434 2.063 10 0 CEAEHO CC[C@]1(C)CN[C@@H](C(C)C)C[N@@H+]1CCn1ccnc1C ZINC000068704264 523577974 /nfs/dbraw/zinc/57/79/74/523577974.db2.gz MZGHTGZUUHLOPT-HZPDHXFCSA-N 1 3 278.444 2.290 10 0 CEAEHO CC[C@]1(C)CN[C@@H](C(C)C)C[N@H+]1CCn1ccnc1C ZINC000068704264 523577975 /nfs/dbraw/zinc/57/79/75/523577975.db2.gz MZGHTGZUUHLOPT-HZPDHXFCSA-N 1 3 278.444 2.290 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@](C)([NH3+])c2ccccc2)CC1 ZINC000055083599 523955807 /nfs/dbraw/zinc/95/58/07/523955807.db2.gz FZPKVPVLUCKWHC-RDJZCZTQSA-N 1 3 275.440 2.277 10 0 CEAEHO CC[C@H](C)N1CCN(c2cc(C)ccc2C[NH3+])CC1 ZINC000055063351 523960873 /nfs/dbraw/zinc/96/08/73/523960873.db2.gz LOIJIVDQKPAZKJ-AWEZNQCLSA-N 1 3 261.413 2.374 10 0 CEAEHO CN(CCC[NH+](C)C)[C@@H](CN)c1cccc2cccnc21 ZINC000069502836 524053304 /nfs/dbraw/zinc/05/33/04/524053304.db2.gz RSUYFMCGFDSKLP-INIZCTEOSA-N 1 3 286.423 2.118 10 0 CEAEHO C[C@H]1C[NH2+]C[C@H](C)CN(C[C@@H]2Cc3ccccc3O2)C1 ZINC000051087220 524696594 /nfs/dbraw/zinc/69/65/94/524696594.db2.gz XYPVQOAPDNITGI-DZKIICNBSA-N 1 3 274.408 2.168 10 0 CEAEHO Cc1cc(F)ccc1[C@H](C[NH3+])N1CCN(C(C)C)CC1 ZINC000050578627 525007366 /nfs/dbraw/zinc/00/73/66/525007366.db2.gz JVPOHRMVHSLUTL-INIZCTEOSA-N 1 3 279.403 2.160 10 0 CEAEHO NCc1cc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000061702263 527250865 /nfs/dbraw/zinc/25/08/65/527250865.db2.gz OPUCGSSADPTLMS-QGZVFWFLSA-N 1 3 283.375 2.194 10 0 CEAEHO NCc1cc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000061702263 527250869 /nfs/dbraw/zinc/25/08/69/527250869.db2.gz OPUCGSSADPTLMS-QGZVFWFLSA-N 1 3 283.375 2.194 10 0 CEAEHO Cc1cc(N[C@@H](C)C[N@H+](C)Cc2ccccc2)nc(N)n1 ZINC000309832748 627956361 /nfs/dbraw/zinc/95/63/61/627956361.db2.gz SRQQGUPDOZEKJS-ZDUSSCGKSA-N 1 3 285.395 2.300 10 0 CEAEHO Cc1cc(N[C@@H](C)C[N@@H+](C)Cc2ccccc2)nc(N)n1 ZINC000309832748 627956362 /nfs/dbraw/zinc/95/63/62/627956362.db2.gz SRQQGUPDOZEKJS-ZDUSSCGKSA-N 1 3 285.395 2.300 10 0 CEAEHO Cc1ccc(OC[C@@H](C)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000129170199 651857870 /nfs/dbraw/zinc/85/78/70/651857870.db2.gz AGOPKOXJQWRZMM-HUUCEWRRSA-N 1 3 262.397 2.494 10 0 CEAEHO C[N@H+](CCCNC(=O)[C@]1(C)CCCCN1)C1CCCCC1 ZINC000136199890 344384351 /nfs/dbraw/zinc/38/43/51/344384351.db2.gz VSQWPUBXFMFZKO-KRWDZBQOSA-N 1 3 295.471 2.289 10 0 CEAEHO C[N@@H+](CCCNC(=O)[C@]1(C)CCCCN1)C1CCCCC1 ZINC000136199890 344384353 /nfs/dbraw/zinc/38/43/53/344384353.db2.gz VSQWPUBXFMFZKO-KRWDZBQOSA-N 1 3 295.471 2.289 10 0 CEAEHO Cc1nccn1CCN1C[C@H](C(C)(C)C)[NH2+]CC[C@@H]1C ZINC000085624306 179106628 /nfs/dbraw/zinc/10/66/28/179106628.db2.gz IHRMUHFNVMZVJQ-DZGCQCFKSA-N 1 3 278.444 2.290 10 0 CEAEHO Cc1nccn1CC[N@H+]1C[C@H](C(C)(C)C)NCC[C@@H]1C ZINC000085624306 179106629 /nfs/dbraw/zinc/10/66/29/179106629.db2.gz IHRMUHFNVMZVJQ-DZGCQCFKSA-N 1 3 278.444 2.290 10 0 CEAEHO Cc1nccn1CC[N@@H+]1C[C@H](C(C)(C)C)NCC[C@@H]1C ZINC000085624306 179106630 /nfs/dbraw/zinc/10/66/30/179106630.db2.gz IHRMUHFNVMZVJQ-DZGCQCFKSA-N 1 3 278.444 2.290 10 0 CEAEHO CCC[C@H]1C[N@H+](CCCOCC(F)(F)F)CCCN1 ZINC000085612234 179103396 /nfs/dbraw/zinc/10/33/96/179103396.db2.gz MGRLPYHPYMDQJZ-LBPRGKRZSA-N 1 3 282.350 2.419 10 0 CEAEHO CCC[C@H]1C[N@@H+](CCCOCC(F)(F)F)CCCN1 ZINC000085612234 179103397 /nfs/dbraw/zinc/10/33/97/179103397.db2.gz MGRLPYHPYMDQJZ-LBPRGKRZSA-N 1 3 282.350 2.419 10 0 CEAEHO CC(C)C[C@@H]1C[N@H+](C[C@@H]2CCCO2)[C@@H](C)CCN1 ZINC000085621904 179105156 /nfs/dbraw/zinc/10/51/56/179105156.db2.gz MIBMVEGIBPWOKB-ZNMIVQPWSA-N 1 3 254.418 2.264 10 0 CEAEHO CC(C)C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)[C@@H](C)CCN1 ZINC000085621904 179105158 /nfs/dbraw/zinc/10/51/58/179105158.db2.gz MIBMVEGIBPWOKB-ZNMIVQPWSA-N 1 3 254.418 2.264 10 0 CEAEHO CC[C@@H](C)[C@H]1C[N@H+](C2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086153958 179241166 /nfs/dbraw/zinc/24/11/66/179241166.db2.gz WBIJVSRNDJOKFP-OIISXLGYSA-N 1 3 281.488 2.425 10 0 CEAEHO CC[C@@H](C)[C@H]1C[N@@H+](C2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086153958 179241169 /nfs/dbraw/zinc/24/11/69/179241169.db2.gz WBIJVSRNDJOKFP-OIISXLGYSA-N 1 3 281.488 2.425 10 0 CEAEHO CC[C@@H](C)[C@H]1C[N@H+](C[C@@H]2CCN(C)C2)[C@H](C(C)C)CN1 ZINC000086171853 179243630 /nfs/dbraw/zinc/24/36/30/179243630.db2.gz JQFLXVCVTCLRTR-VQHPVUNQSA-N 1 3 281.488 2.283 10 0 CEAEHO CC[C@@H](C)[C@H]1C[N@@H+](C[C@@H]2CCN(C)C2)[C@H](C(C)C)CN1 ZINC000086171853 179243633 /nfs/dbraw/zinc/24/36/33/179243633.db2.gz JQFLXVCVTCLRTR-VQHPVUNQSA-N 1 3 281.488 2.283 10 0 CEAEHO CC(C)[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086172119 179244434 /nfs/dbraw/zinc/24/44/34/179244434.db2.gz BPWNBHVDIQHWJK-PMPSAXMXSA-N 1 3 267.461 2.035 10 0 CEAEHO CC(C)[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086172119 179244435 /nfs/dbraw/zinc/24/44/35/179244435.db2.gz BPWNBHVDIQHWJK-PMPSAXMXSA-N 1 3 267.461 2.035 10 0 CEAEHO CC(C)[C@@H]1CN([C@@H]2CCCN(C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086172119 179244437 /nfs/dbraw/zinc/24/44/37/179244437.db2.gz BPWNBHVDIQHWJK-PMPSAXMXSA-N 1 3 267.461 2.035 10 0 CEAEHO CC[C@H]1CN[C@H](CC(C)C)C[N@@H+]1C1CCN(C)CC1 ZINC000086217872 179249706 /nfs/dbraw/zinc/24/97/06/179249706.db2.gz CQURXLGUNUHIAV-CABCVRRESA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1CN[C@H](CC(C)C)C[N@H+]1C1CCN(C)CC1 ZINC000086217872 179249708 /nfs/dbraw/zinc/24/97/08/179249708.db2.gz CQURXLGUNUHIAV-CABCVRRESA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1C1CCN(C)CC1 ZINC000086217807 179250088 /nfs/dbraw/zinc/25/00/88/179250088.db2.gz FIRBVJXROBTDMH-HIFRSBDPSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1CN[C@H](C(C)(C)C)C[N@H+]1C1CCN(C)CC1 ZINC000086217807 179250091 /nfs/dbraw/zinc/25/00/91/179250091.db2.gz FIRBVJXROBTDMH-HIFRSBDPSA-N 1 3 267.461 2.179 10 0 CEAEHO CCC1(CC)C[N@H+](C[C@@H]2CCN(C)C2)[C@@H](C(C)C)CN1 ZINC000086223167 179251572 /nfs/dbraw/zinc/25/15/72/179251572.db2.gz CQBDGRSKPSVKBM-HZPDHXFCSA-N 1 3 281.488 2.427 10 0 CEAEHO CCC1(CC)C[N@@H+](C[C@@H]2CCN(C)C2)[C@@H](C(C)C)CN1 ZINC000086223167 179251575 /nfs/dbraw/zinc/25/15/75/179251575.db2.gz CQBDGRSKPSVKBM-HZPDHXFCSA-N 1 3 281.488 2.427 10 0 CEAEHO CCC[C@@H]1C[N@@H+]([C@@H]2CN3CCC2CC3)[C@H](C(C)C)CN1 ZINC000086182752 179247742 /nfs/dbraw/zinc/24/77/42/179247742.db2.gz KCSFAWFDOWGAGL-IXDOHACOSA-N 1 3 279.472 2.179 10 0 CEAEHO CCC[C@@H]1C[N@H+]([C@@H]2CN3CCC2CC3)[C@H](C(C)C)CN1 ZINC000086182752 179247744 /nfs/dbraw/zinc/24/77/44/179247744.db2.gz KCSFAWFDOWGAGL-IXDOHACOSA-N 1 3 279.472 2.179 10 0 CEAEHO CC[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259218 179257951 /nfs/dbraw/zinc/25/79/51/179257951.db2.gz MYPFLPHGAWYLNW-PMPSAXMXSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@H]1CN[C@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259218 179257953 /nfs/dbraw/zinc/25/79/53/179257953.db2.gz MYPFLPHGAWYLNW-PMPSAXMXSA-N 1 3 281.488 2.427 10 0 CEAEHO C[C@@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259263 179258102 /nfs/dbraw/zinc/25/81/02/179258102.db2.gz NMODZGHGFFQCMW-RBSFLKMASA-N 1 3 267.461 2.037 10 0 CEAEHO C[C@@H]1CN[C@@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259263 179258103 /nfs/dbraw/zinc/25/81/03/179258103.db2.gz NMODZGHGFFQCMW-RBSFLKMASA-N 1 3 267.461 2.037 10 0 CEAEHO CC(C)[C@@H]1CN[C@@H](C2CC2)C[N@@H+]1C[C@@H]1CCCCN1C ZINC000086259323 179258448 /nfs/dbraw/zinc/25/84/48/179258448.db2.gz QRDHGLOZGBZUOS-BBWFWOEESA-N 1 3 279.472 2.179 10 0 CEAEHO CC(C)[C@@H]1CN[C@@H](C2CC2)C[N@H+]1C[C@@H]1CCCCN1C ZINC000086259323 179258450 /nfs/dbraw/zinc/25/84/50/179258450.db2.gz QRDHGLOZGBZUOS-BBWFWOEESA-N 1 3 279.472 2.179 10 0 CEAEHO C[C@@H]1CN[C@@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259199 179258815 /nfs/dbraw/zinc/25/88/15/179258815.db2.gz MSFHGSRIGSZLDM-JFIYKMOQSA-N 1 3 287.451 2.363 10 0 CEAEHO C[C@@H]1CN[C@@H](c2ccccc2)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259199 179258817 /nfs/dbraw/zinc/25/88/17/179258817.db2.gz MSFHGSRIGSZLDM-JFIYKMOQSA-N 1 3 287.451 2.363 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CC1CCN(C)CC1 ZINC000086258981 179256731 /nfs/dbraw/zinc/25/67/31/179256731.db2.gz OCCCFKPOWXVNRM-IAGOWNOFSA-N 1 3 279.472 2.181 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(C2CC2)C[N@H+]1CC1CCN(C)CC1 ZINC000086258981 179256732 /nfs/dbraw/zinc/25/67/32/179256732.db2.gz OCCCFKPOWXVNRM-IAGOWNOFSA-N 1 3 279.472 2.181 10 0 CEAEHO CC[C@H]1CNC2(CCCC2)C[N@@H+]1CC1CCN(C)CC1 ZINC000086259074 179257018 /nfs/dbraw/zinc/25/70/18/179257018.db2.gz HWCQCKFIQOJVHY-INIZCTEOSA-N 1 3 279.472 2.325 10 0 CEAEHO CC[C@H]1CNC2(CCCC2)C[N@H+]1CC1CCN(C)CC1 ZINC000086259074 179257019 /nfs/dbraw/zinc/25/70/19/179257019.db2.gz HWCQCKFIQOJVHY-INIZCTEOSA-N 1 3 279.472 2.325 10 0 CEAEHO CC[C@@H]1CN[C@](C)(CC)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259243 179257649 /nfs/dbraw/zinc/25/76/49/179257649.db2.gz ZCCCPRRITZEIML-BZUAXINKSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@@H]1CN[C@](C)(CC)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259243 179257651 /nfs/dbraw/zinc/25/76/51/179257651.db2.gz ZCCCPRRITZEIML-BZUAXINKSA-N 1 3 267.461 2.181 10 0 CEAEHO C[C@H](CCN(C)C)[N@@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000086290505 179265847 /nfs/dbraw/zinc/26/58/47/179265847.db2.gz WJZFQPZUKIWDJP-WBVHZDCISA-N 1 3 275.440 2.363 10 0 CEAEHO C[C@H](CCN(C)C)[N@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000086290505 179265848 /nfs/dbraw/zinc/26/58/48/179265848.db2.gz WJZFQPZUKIWDJP-WBVHZDCISA-N 1 3 275.440 2.363 10 0 CEAEHO c1ccc([C@H]2C[N@H+]([C@@H]3CCN(C4CC4)C3)CCCN2)cc1 ZINC000086291985 179266583 /nfs/dbraw/zinc/26/65/83/179266583.db2.gz UEMNFOYMAIZEIA-QZTJIDSGSA-N 1 3 285.435 2.260 10 0 CEAEHO c1ccc([C@H]2C[N@@H+]([C@@H]3CCN(C4CC4)C3)CCCN2)cc1 ZINC000086291985 179266584 /nfs/dbraw/zinc/26/65/84/179266584.db2.gz UEMNFOYMAIZEIA-QZTJIDSGSA-N 1 3 285.435 2.260 10 0 CEAEHO CCC1(CC)C[N@H+](C[C@@H]2CCCN(C)C2)CCCN1 ZINC000086291637 179266725 /nfs/dbraw/zinc/26/67/25/179266725.db2.gz JJFKASIPXBEFNH-OAHLLOKOSA-N 1 3 267.461 2.182 10 0 CEAEHO CCC1(CC)C[N@@H+](C[C@@H]2CCCN(C)C2)CCCN1 ZINC000086291637 179266727 /nfs/dbraw/zinc/26/67/27/179266727.db2.gz JJFKASIPXBEFNH-OAHLLOKOSA-N 1 3 267.461 2.182 10 0 CEAEHO CN(CC1CC[NH+](C)CC1)c1nc2c(s1)CCC[C@H]2N ZINC000086444111 179293679 /nfs/dbraw/zinc/29/36/79/179293679.db2.gz RJRDEZXHIJHHAL-GFCCVEGCSA-N 1 3 294.468 2.257 10 0 CEAEHO C[C@H]1C[NH+]=C(NCCN(C)C2CCCC2)SC1 ZINC000086633538 179315009 /nfs/dbraw/zinc/31/50/09/179315009.db2.gz JTYYAEWLEBXZEP-NSHDSACASA-N 1 3 255.431 2.189 10 0 CEAEHO CN1CCC[C@](CN)([N@@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000086819541 179348605 /nfs/dbraw/zinc/34/86/05/179348605.db2.gz IKUSGCBUIXYVEE-ROUUACIJSA-N 1 3 287.451 2.289 10 0 CEAEHO CN1CCC[C@](CN)([N@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000086819541 179348607 /nfs/dbraw/zinc/34/86/07/179348607.db2.gz IKUSGCBUIXYVEE-ROUUACIJSA-N 1 3 287.451 2.289 10 0 CEAEHO CC[N@H+](C1CCCCC1)[C@]1(CN)CCCN(C)CC1 ZINC000086819223 179348774 /nfs/dbraw/zinc/34/87/74/179348774.db2.gz QZUIBFNAMBTOCK-MRXNPFEDSA-N 1 3 267.461 2.454 10 0 CEAEHO CC[N@@H+](C1CCCCC1)[C@]1(CN)CCCN(C)CC1 ZINC000086819223 179348776 /nfs/dbraw/zinc/34/87/76/179348776.db2.gz QZUIBFNAMBTOCK-MRXNPFEDSA-N 1 3 267.461 2.454 10 0 CEAEHO CN(C)[C@@H](CN[C@H]1CCC[N@H+](C)CC1)c1ccccc1 ZINC000086817199 179344356 /nfs/dbraw/zinc/34/43/56/179344356.db2.gz RWQZACIQPPRCGH-IRXDYDNUSA-N 1 3 275.440 2.363 10 0 CEAEHO CN(C)[C@@H](CN[C@H]1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000086817199 179344358 /nfs/dbraw/zinc/34/43/58/179344358.db2.gz RWQZACIQPPRCGH-IRXDYDNUSA-N 1 3 275.440 2.363 10 0 CEAEHO CN(C)[C@@H](C[NH2+][C@H]1CCCN(C)CC1)c1ccccc1 ZINC000086817199 179344359 /nfs/dbraw/zinc/34/43/59/179344359.db2.gz RWQZACIQPPRCGH-IRXDYDNUSA-N 1 3 275.440 2.363 10 0 CEAEHO C[C@@H](N[C@@H]1CCC[N@H+](C)CC1)c1ccc(NC(N)=O)cc1 ZINC000086818560 179346573 /nfs/dbraw/zinc/34/65/73/179346573.db2.gz JMAAWMPIOYBSJO-TZMCWYRMSA-N 1 3 290.411 2.312 10 0 CEAEHO C[C@@H](N[C@@H]1CCC[N@@H+](C)CC1)c1ccc(NC(N)=O)cc1 ZINC000086818560 179346575 /nfs/dbraw/zinc/34/65/75/179346575.db2.gz JMAAWMPIOYBSJO-TZMCWYRMSA-N 1 3 290.411 2.312 10 0 CEAEHO CCC(CC)[N@H+](C)[C@]1(CN)CCCN(CC)CC1 ZINC000086847162 179356567 /nfs/dbraw/zinc/35/65/67/179356567.db2.gz YXBDEXIQFBNYDQ-OAHLLOKOSA-N 1 3 255.450 2.310 10 0 CEAEHO CCC(CC)[N@@H+](C)[C@]1(CN)CCCN(CC)CC1 ZINC000086847162 179356569 /nfs/dbraw/zinc/35/65/69/179356569.db2.gz YXBDEXIQFBNYDQ-OAHLLOKOSA-N 1 3 255.450 2.310 10 0 CEAEHO CCN1CCC[C@H]([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000086840338 179350972 /nfs/dbraw/zinc/35/09/72/179350972.db2.gz ALUVRJWYGOIVOA-AWEZNQCLSA-N 1 3 265.445 2.077 10 0 CEAEHO CC(C)[N@@H+]1CCC[C@@H](NCCN2CCCCC2)CC1 ZINC000086843114 179352604 /nfs/dbraw/zinc/35/26/04/179352604.db2.gz PKUJEYMVBLZYFC-MRXNPFEDSA-N 1 3 267.461 2.325 10 0 CEAEHO CC(C)[N@H+]1CCC[C@@H](NCCN2CCCCC2)CC1 ZINC000086843114 179352606 /nfs/dbraw/zinc/35/26/06/179352606.db2.gz PKUJEYMVBLZYFC-MRXNPFEDSA-N 1 3 267.461 2.325 10 0 CEAEHO CCC[N@@H+]1CCC[C@@H](NCCC(=O)N[C@@H](C)CC)CC1 ZINC000086841996 179352841 /nfs/dbraw/zinc/35/28/41/179352841.db2.gz LPKNVCQPTPFKME-LSDHHAIUSA-N 1 3 283.460 2.145 10 0 CEAEHO CCC[N@H+]1CCC[C@@H](NCCC(=O)N[C@@H](C)CC)CC1 ZINC000086841996 179352844 /nfs/dbraw/zinc/35/28/44/179352844.db2.gz LPKNVCQPTPFKME-LSDHHAIUSA-N 1 3 283.460 2.145 10 0 CEAEHO CCCN1CCC[C@@H]([NH2+]CCC(=O)N[C@@H](C)CC)CC1 ZINC000086841996 179352847 /nfs/dbraw/zinc/35/28/47/179352847.db2.gz LPKNVCQPTPFKME-LSDHHAIUSA-N 1 3 283.460 2.145 10 0 CEAEHO CCCN1CCC[C@@H]([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000086842244 179352997 /nfs/dbraw/zinc/35/29/97/179352997.db2.gz LLPVZYFVFQGPIW-CABCVRRESA-N 1 3 254.418 2.410 10 0 CEAEHO CCC[N@@H+]1CCC[C@@H](NC[C@@H]2CCCCO2)CC1 ZINC000086843162 179353431 /nfs/dbraw/zinc/35/34/31/179353431.db2.gz ZUMYDPFNQZNYTG-CABCVRRESA-N 1 3 254.418 2.410 10 0 CEAEHO CCC[N@H+]1CCC[C@@H](NC[C@@H]2CCCCO2)CC1 ZINC000086843162 179353432 /nfs/dbraw/zinc/35/34/32/179353432.db2.gz ZUMYDPFNQZNYTG-CABCVRRESA-N 1 3 254.418 2.410 10 0 CEAEHO CCCN1CCC[C@@H]([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000086843162 179353433 /nfs/dbraw/zinc/35/34/33/179353433.db2.gz ZUMYDPFNQZNYTG-CABCVRRESA-N 1 3 254.418 2.410 10 0 CEAEHO CC(C)[N@@H+]1CCC[C@@H](NC[C@@H]2CCCCO2)CC1 ZINC000086843152 179353754 /nfs/dbraw/zinc/35/37/54/179353754.db2.gz LAKNNHQLJURXJV-CABCVRRESA-N 1 3 254.418 2.408 10 0 CEAEHO CC(C)[N@H+]1CCC[C@@H](NC[C@@H]2CCCCO2)CC1 ZINC000086843152 179353757 /nfs/dbraw/zinc/35/37/57/179353757.db2.gz LAKNNHQLJURXJV-CABCVRRESA-N 1 3 254.418 2.408 10 0 CEAEHO CC(C)N1CCC[C@@H]([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000086843152 179353758 /nfs/dbraw/zinc/35/37/58/179353758.db2.gz LAKNNHQLJURXJV-CABCVRRESA-N 1 3 254.418 2.408 10 0 CEAEHO CCN1CCC[C@](CN)([N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000086846415 179354485 /nfs/dbraw/zinc/35/44/85/179354485.db2.gz ZDPMJPLOPLDYEV-XHSDSOJGSA-N 1 3 267.461 2.168 10 0 CEAEHO CCN1CCC[C@](CN)([N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000086846415 179354486 /nfs/dbraw/zinc/35/44/86/179354486.db2.gz ZDPMJPLOPLDYEV-XHSDSOJGSA-N 1 3 267.461 2.168 10 0 CEAEHO CC1(C)CCC[C@@](CO)(N2CCC[NH2+]CC2)CC1 ZINC000086920922 179367653 /nfs/dbraw/zinc/36/76/53/179367653.db2.gz XIZXDQBGOIYTNV-OAHLLOKOSA-N 1 3 254.418 2.003 10 0 CEAEHO CCCN1CCC[C@H]([NH2+]CC(O)(CC)CC)CC1 ZINC000087014625 179379761 /nfs/dbraw/zinc/37/97/61/179379761.db2.gz UDYIIKRDMYXEHF-AWEZNQCLSA-N 1 3 256.434 2.392 10 0 CEAEHO CCC[N@@H+]1CCC[C@H](NCC(O)(CC)CC)CC1 ZINC000087014625 179379762 /nfs/dbraw/zinc/37/97/62/179379762.db2.gz UDYIIKRDMYXEHF-AWEZNQCLSA-N 1 3 256.434 2.392 10 0 CEAEHO CCC[N@H+]1CCC[C@H](NCC(O)(CC)CC)CC1 ZINC000087014625 179379764 /nfs/dbraw/zinc/37/97/64/179379764.db2.gz UDYIIKRDMYXEHF-AWEZNQCLSA-N 1 3 256.434 2.392 10 0 CEAEHO COC[C@H](CCC[NH3+])N[C@H](C)c1cc(F)ccc1F ZINC000234695728 539731973 /nfs/dbraw/zinc/73/19/73/539731973.db2.gz VAVKMPIYUWDHBZ-PWSUYJOCSA-N 1 3 272.339 2.369 10 0 CEAEHO C[C@@H](CNC[C@H]1Cc2ccccc2O1)C[NH+]1CCCC1 ZINC000090874614 180050699 /nfs/dbraw/zinc/05/06/99/180050699.db2.gz NDTXTHLKLFKBRM-GOEBONIOSA-N 1 3 274.408 2.312 10 0 CEAEHO C[C@@H](C[NH2+]C[C@H]1Cc2ccccc2O1)CN1CCCC1 ZINC000090874614 180050701 /nfs/dbraw/zinc/05/07/01/180050701.db2.gz NDTXTHLKLFKBRM-GOEBONIOSA-N 1 3 274.408 2.312 10 0 CEAEHO CCN1CC[C@H](C[NH2+]C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090892205 180054025 /nfs/dbraw/zinc/05/40/25/180054025.db2.gz KHJIPPRGLKNJDD-DOMZBBRYSA-N 1 3 278.371 2.061 10 0 CEAEHO CC[N@@H+]1CC[C@H](CNC[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090892205 180054026 /nfs/dbraw/zinc/05/40/26/180054026.db2.gz KHJIPPRGLKNJDD-DOMZBBRYSA-N 1 3 278.371 2.061 10 0 CEAEHO CC[N@H+]1CC[C@H](CNC[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090892205 180054028 /nfs/dbraw/zinc/05/40/28/180054028.db2.gz KHJIPPRGLKNJDD-DOMZBBRYSA-N 1 3 278.371 2.061 10 0 CEAEHO CC(C)n1cncc1CN1CCC[C@H](CC[NH3+])C1 ZINC000091273043 180117896 /nfs/dbraw/zinc/11/78/96/180117896.db2.gz FCMNDUCCUDFRHU-CYBMUJFWSA-N 1 3 250.390 2.025 10 0 CEAEHO CC(C)n1cncc1CN1CCC(CC[NH3+])CC1 ZINC000091273062 180118055 /nfs/dbraw/zinc/11/80/55/180118055.db2.gz HZQPNUMUJAHUKZ-UHFFFAOYSA-N 1 3 250.390 2.025 10 0 CEAEHO CCCC[C@@](CC)(CN)[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091391717 180144617 /nfs/dbraw/zinc/14/46/17/180144617.db2.gz CLIRMTGKNHJEPG-GJZGRUSLSA-N 1 3 255.450 2.310 10 0 CEAEHO CCCC[C@@](CC)(CN)[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091391717 180144618 /nfs/dbraw/zinc/14/46/18/180144618.db2.gz CLIRMTGKNHJEPG-GJZGRUSLSA-N 1 3 255.450 2.310 10 0 CEAEHO Cc1ccc([C@H](N)CN2CCC[C@H]([NH+](C)C)C2)cc1C ZINC000091394975 180146007 /nfs/dbraw/zinc/14/60/07/180146007.db2.gz JHKPYIZVZHIIQA-DLBZAZTESA-N 1 3 275.440 2.329 10 0 CEAEHO CCCC(CN)(CCC)[N@@H+]1CCC[C@@H](N(C)C)C1 ZINC000091394666 180146582 /nfs/dbraw/zinc/14/65/82/180146582.db2.gz UBGBHIWWSUFYEQ-CQSZACIVSA-N 1 3 255.450 2.310 10 0 CEAEHO CCCC(CN)(CCC)[N@H+]1CCC[C@@H](N(C)C)C1 ZINC000091394666 180146585 /nfs/dbraw/zinc/14/65/85/180146585.db2.gz UBGBHIWWSUFYEQ-CQSZACIVSA-N 1 3 255.450 2.310 10 0 CEAEHO CCC[NH2+][C@@H](C)C(C)(C)CN1CCCC[C@@H]1CO ZINC000091404113 180146893 /nfs/dbraw/zinc/14/68/93/180146893.db2.gz ILSHPMVDBJAWGD-UONOGXRCSA-N 1 3 256.434 2.248 10 0 CEAEHO CC[NH2+][C@@H](C)C(C)(C)CN(C)CCN1CCCC1 ZINC000091405039 180147341 /nfs/dbraw/zinc/14/73/41/180147341.db2.gz JIEZBRPFJHGLQZ-AWEZNQCLSA-N 1 3 255.450 2.038 10 0 CEAEHO C[NH2+][C@@H](C1CCOCC1)C1(N2CCCC2)CCCC1 ZINC000091640840 180213340 /nfs/dbraw/zinc/21/33/40/180213340.db2.gz STWVDPKVWGBOBO-HNNXBMFYSA-N 1 3 266.429 2.410 10 0 CEAEHO CCc1cc(C[C@@H](CC[NH+](CC)CC)NC)n(CC)n1 ZINC000091716190 180232578 /nfs/dbraw/zinc/23/25/78/180232578.db2.gz DKOQHXNCQUOZLD-OAHLLOKOSA-N 1 3 280.460 2.328 10 0 CEAEHO CCc1cc(C[C@@H](CCN(CC)CC)[NH2+]C)n(CC)n1 ZINC000091716190 180232581 /nfs/dbraw/zinc/23/25/81/180232581.db2.gz DKOQHXNCQUOZLD-OAHLLOKOSA-N 1 3 280.460 2.328 10 0 CEAEHO CCC[NH2+]C1CCC(N(C)CC(=O)NC(C)(C)C)CC1 ZINC000091870105 180277035 /nfs/dbraw/zinc/27/70/35/180277035.db2.gz GPGWHALNWOPRID-UHFFFAOYSA-N 1 3 283.460 2.144 10 0 CEAEHO CCN(Cc1nc(C)ccc1O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000091996215 180301969 /nfs/dbraw/zinc/30/19/69/180301969.db2.gz MQCUDIQTVGMYLJ-TZMCWYRMSA-N 1 3 263.385 2.045 10 0 CEAEHO CC(C)[C@H]1CSC(NC[C@@H]2CCCN(C)C2)=[NH+]1 ZINC000092402484 180377316 /nfs/dbraw/zinc/37/73/16/180377316.db2.gz AVVDTRUZKDHMHC-NWDGAFQWSA-N 1 3 255.431 2.045 10 0 CEAEHO CCCNc1ccnc(CN2CCC([NH+](C)C)CC2)c1 ZINC000092418174 180380773 /nfs/dbraw/zinc/38/07/73/180380773.db2.gz DUUZSACFHDAJRJ-UHFFFAOYSA-N 1 3 276.428 2.430 10 0 CEAEHO CCN(CC)CCc1noc(C[C@H]([NH2+]C)C(C)(C)C)n1 ZINC000109496164 186256587 /nfs/dbraw/zinc/25/65/87/186256587.db2.gz RPOQWAAOXOIYCU-LBPRGKRZSA-N 1 3 282.432 2.131 10 0 CEAEHO CCC[C@@H](C)CN1CCN([C@H](C[NH3+])CCC)CC1 ZINC000109461713 186254427 /nfs/dbraw/zinc/25/44/27/186254427.db2.gz MDRULEOIQKWAQW-CABCVRRESA-N 1 3 255.450 2.168 10 0 CEAEHO Cc1cccc([C@H]([C@@H](C)[NH3+])N2CCN(C)C(C)(C)C2)c1 ZINC000110704815 186314715 /nfs/dbraw/zinc/31/47/15/186314715.db2.gz YBNCGJMWYYCVIB-ZBFHGGJFSA-N 1 3 275.440 2.409 10 0 CEAEHO CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(C)cc2C)CCN1C ZINC000110711274 186315624 /nfs/dbraw/zinc/31/56/24/186315624.db2.gz GQQVCANMMKCYAG-WBVHZDCISA-N 1 3 275.440 2.329 10 0 CEAEHO CCN1CCN([C@@H](C[NH3+])c2ccc(SC)cc2)C[C@@H]1C ZINC000110709578 186316655 /nfs/dbraw/zinc/31/66/55/186316655.db2.gz QLEMYPIUSOTJQX-BBRMVZONSA-N 1 3 293.480 2.434 10 0 CEAEHO CCOc1ccccc1[C@@H](C[NH3+])N1CCN(C)C(C)(C)C1 ZINC000110712175 186316658 /nfs/dbraw/zinc/31/66/58/186316658.db2.gz DINTYFNMNTXXKE-OAHLLOKOSA-N 1 3 291.439 2.111 10 0 CEAEHO CC[C@H]1CN([C@@H](C)CC[NH2+]C(C)(C)C)CCN1C ZINC000110754365 186321959 /nfs/dbraw/zinc/32/19/59/186321959.db2.gz QLMYOEIKACBRPR-KBPBESRZSA-N 1 3 255.450 2.179 10 0 CEAEHO CC(C)CN(CCN(C)C)[C@H](C[NH3+])c1cccc(F)c1F ZINC000111039791 186347017 /nfs/dbraw/zinc/34/70/17/186347017.db2.gz XHTHQIIOQUUGSP-OAHLLOKOSA-N 1 3 299.409 2.484 10 0 CEAEHO C[NH2+][C@H](CN(C)CCN(C)C)c1ccc(C)cc1C ZINC000111134239 186357348 /nfs/dbraw/zinc/35/73/48/186357348.db2.gz HTTISHSQHZEJTN-MRXNPFEDSA-N 1 3 263.429 2.057 10 0 CEAEHO Cc1cc(C)c([C@H]([NH3+])CN(C)CCN(C)C)c(C)c1 ZINC000111134366 186357490 /nfs/dbraw/zinc/35/74/90/186357490.db2.gz JHGAKFZPCDFJBL-OAHLLOKOSA-N 1 3 263.429 2.105 10 0 CEAEHO C[NH2+][C@@H](CN(C)CCN(C)C)c1ccc(C)cc1C ZINC000111134242 186357494 /nfs/dbraw/zinc/35/74/94/186357494.db2.gz HTTISHSQHZEJTN-INIZCTEOSA-N 1 3 263.429 2.057 10 0 CEAEHO CCc1ccc([C@H](N)CN(C)CCC[NH+](C)C)cc1 ZINC000111136123 186357803 /nfs/dbraw/zinc/35/78/03/186357803.db2.gz YYYKUKXINNVYKM-MRXNPFEDSA-N 1 3 263.429 2.132 10 0 CEAEHO CC(C)Oc1ccc([C@@H](N)CN(C)CCC[NH+](C)C)cc1 ZINC000111136691 186357826 /nfs/dbraw/zinc/35/78/26/186357826.db2.gz RPTPVEHVJNOYLI-KRWDZBQOSA-N 1 3 293.455 2.357 10 0 CEAEHO CCC[C@]1(CN(C)CC2CCOCC2)CC[NH2+]C1 ZINC000111179357 186366564 /nfs/dbraw/zinc/36/65/64/186366564.db2.gz GRXVVTIGABYPRB-HNNXBMFYSA-N 1 3 254.418 2.125 10 0 CEAEHO CCC[NH2+]C[C@@]1(CN2CCCCC2)CCCOC1 ZINC000111324018 186396605 /nfs/dbraw/zinc/39/66/05/186396605.db2.gz ZIRRFSWBNROXIU-OAHLLOKOSA-N 1 3 254.418 2.269 10 0 CEAEHO CCC[N@H+](CC1CC1)C[C@@]1(CNC)CCCOC1 ZINC000111326724 186398650 /nfs/dbraw/zinc/39/86/50/186398650.db2.gz ODYVUOCREWKAJV-HNNXBMFYSA-N 1 3 254.418 2.125 10 0 CEAEHO CCC[N@@H+](CC1CC1)C[C@@]1(CNC)CCCOC1 ZINC000111326724 186398651 /nfs/dbraw/zinc/39/86/51/186398651.db2.gz ODYVUOCREWKAJV-HNNXBMFYSA-N 1 3 254.418 2.125 10 0 CEAEHO C(C[C@@H]1CCCO1)[NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000093490862 539850663 /nfs/dbraw/zinc/85/06/63/539850663.db2.gz FUOMMRUHGTYXRF-JONQDZQNSA-N 1 3 266.429 2.456 10 0 CEAEHO CCC[C@]1(COC)CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000261801892 284084651 /nfs/dbraw/zinc/08/46/51/284084651.db2.gz GYHIHOJCWNPMMY-HUUCEWRRSA-N 1 3 254.418 2.267 10 0 CEAEHO CCC[C@]1(COC)CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000261801892 284084652 /nfs/dbraw/zinc/08/46/52/284084652.db2.gz GYHIHOJCWNPMMY-HUUCEWRRSA-N 1 3 254.418 2.267 10 0 CEAEHO C[C@H](CNC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000194263492 370019041 /nfs/dbraw/zinc/01/90/41/370019041.db2.gz NRBWRVZUXADSBF-NVXWUHKLSA-N 1 3 276.424 2.227 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(-n4ccnc4)cc3)C[C@@H]12 ZINC000261601782 371673566 /nfs/dbraw/zinc/67/35/66/371673566.db2.gz BTJFFPKXIZKUDZ-DJIMGWMZSA-N 1 3 282.391 2.041 10 0 CEAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cnc4ccccc4c3)C[C@@H]12 ZINC000261789387 371732772 /nfs/dbraw/zinc/73/27/72/371732772.db2.gz QHXPBIVYRXKXIJ-ARFHVFGLSA-N 1 3 267.376 2.404 10 0 CEAEHO CCC1(N(C)C)CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000640015813 371736695 /nfs/dbraw/zinc/73/66/95/371736695.db2.gz OKWQLEGVYHQVOW-HUUCEWRRSA-N 1 3 268.445 2.344 10 0 CEAEHO NC[C@@H]1C[N@H+](Cc2cccc(N)c2)C[C@H]1c1ccccc1 ZINC000261643122 371689268 /nfs/dbraw/zinc/68/92/68/371689268.db2.gz FULVVSIFZHRJBZ-AEFFLSMTSA-N 1 3 281.403 2.443 10 0 CEAEHO NC[C@@H]1C[N@@H+](Cc2cccc(N)c2)C[C@H]1c1ccccc1 ZINC000261643122 371689281 /nfs/dbraw/zinc/68/92/81/371689281.db2.gz FULVVSIFZHRJBZ-AEFFLSMTSA-N 1 3 281.403 2.443 10 0 CEAEHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCC(=O)Nc3ccccc32)C1 ZINC000333324883 205220488 /nfs/dbraw/zinc/22/04/88/205220488.db2.gz VBNPYKOVQASYLB-LALPHHSUSA-N 1 3 273.380 2.320 10 0 CEAEHO CCC1(C[NH2+][C@@H](C)[C@H]2CCCNC2)CCOCC1 ZINC000573436932 299440802 /nfs/dbraw/zinc/44/08/02/299440802.db2.gz PYRWIWVIGONCSP-KBPBESRZSA-N 1 3 254.418 2.171 10 0 CEAEHO CCc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000380177751 375159671 /nfs/dbraw/zinc/15/96/71/375159671.db2.gz ODQYIZCGMBJVNX-GDLCADMTSA-N 1 3 250.411 2.480 10 0 CEAEHO C[C@H]1CN(Cc2ccccc2)CCN1c1cc[nH+]c(N)c1 ZINC000306763129 376555104 /nfs/dbraw/zinc/55/51/04/376555104.db2.gz FUWBRPDLKASJFG-AWEZNQCLSA-N 1 3 282.391 2.375 10 0 CEAEHO CCN(CC)CCN1C(N)=[NH+]CC12CCCCCC2 ZINC000093382114 184670080 /nfs/dbraw/zinc/67/00/80/184670080.db2.gz PHKFJKCGMKUGMY-UHFFFAOYSA-N 1 3 266.433 2.052 10 0 CEAEHO CC[NH2+][C@@H]1CCC[C@H](N2CCN(C3CCCC3)CC2)C1 ZINC000093730300 184709938 /nfs/dbraw/zinc/70/99/38/184709938.db2.gz JMFGGZMQNBOVCA-WBVHZDCISA-N 1 3 279.472 2.467 10 0 CEAEHO CCN(Cc1scnc1C)CC1CC[NH2+]CC1 ZINC000094011624 184750268 /nfs/dbraw/zinc/75/02/68/184750268.db2.gz SKQKPXZXWYUPST-UHFFFAOYSA-N 1 3 253.415 2.273 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@]2(C[NH3+])CC(C)(C)OC2(C)C)CC1 ZINC000094425077 184795812 /nfs/dbraw/zinc/79/58/12/184795812.db2.gz SKHUSOGQFHMGTH-RHSMWYFYSA-N 1 3 297.487 2.078 10 0 CEAEHO Cc1cccc(N2CCN(CC3(CC[NH3+])CC3)CC2)c1 ZINC000088249145 135053687 /nfs/dbraw/zinc/05/36/87/135053687.db2.gz UBULMZZNTHQSNG-UHFFFAOYSA-N 1 3 273.424 2.246 10 0 CEAEHO [NH3+]C[C@H]1CCC[C@@H]1CN1CCN(c2ccccc2F)CC1 ZINC000089482838 135059257 /nfs/dbraw/zinc/05/92/57/135059257.db2.gz KPUAGKGHWWZXQR-HUUCEWRRSA-N 1 3 291.414 2.323 10 0 CEAEHO C[C@@H]1CN2CCCC[C@@H]2CN1c1ccc(F)cc1CC[NH3+] ZINC000094444585 135088597 /nfs/dbraw/zinc/08/85/97/135088597.db2.gz TZFLJIUDMAFZIJ-CZUORRHYSA-N 1 3 291.414 2.390 10 0 CEAEHO C[C@H]([NH3+])Cc1ccc(N2CCN3CCCC[C@@H]3C2)cc1 ZINC000094444535 135089013 /nfs/dbraw/zinc/08/90/13/135089013.db2.gz JQENCJZAEDODRY-WMLDXEAASA-N 1 3 273.424 2.251 10 0 CEAEHO CN1CCC[C@@H]1CC[N@@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188076770 395310068 /nfs/dbraw/zinc/31/00/68/395310068.db2.gz OEAPCVKAMAFOJO-OAGGEKHMSA-N 1 3 294.464 2.240 10 0 CEAEHO CN1CCC[C@@H]1CC[N@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188076770 395310073 /nfs/dbraw/zinc/31/00/73/395310073.db2.gz OEAPCVKAMAFOJO-OAGGEKHMSA-N 1 3 294.464 2.240 10 0 CEAEHO O[C@H](CNc1ccnc2ccccc21)C[NH+]1CCCCC1 ZINC000174685888 165115490 /nfs/dbraw/zinc/11/54/90/165115490.db2.gz AZJSPSYESIRWID-CQSZACIVSA-N 1 3 285.391 2.494 10 0 CEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)N1CCCCCC1 ZINC000177024128 165186152 /nfs/dbraw/zinc/18/61/52/165186152.db2.gz WHZLLCWFNSVMDB-HZPDHXFCSA-N 1 3 295.471 2.194 10 0 CEAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)N1CCCCCC1 ZINC000177024128 165186155 /nfs/dbraw/zinc/18/61/55/165186155.db2.gz WHZLLCWFNSVMDB-HZPDHXFCSA-N 1 3 295.471 2.194 10 0 CEAEHO CN([C@@H](C[NH3+])c1ccccc1Cl)C1CCN(C)CC1 ZINC000022210385 171373012 /nfs/dbraw/zinc/37/30/12/171373012.db2.gz WLRCPCHNFQLKCI-HNNXBMFYSA-N 1 3 281.831 2.366 10 0 CEAEHO Cc1cc(NCCCN2CC[NH2+]CC2)c2ccccc2n1 ZINC000035697597 172366007 /nfs/dbraw/zinc/36/60/07/172366007.db2.gz PVZSQWYBQZJIDM-UHFFFAOYSA-N 1 3 284.407 2.250 10 0 CEAEHO C[C@H]1CC[N@@H+](C2(CN)CCN(Cc3ccccc3)CC2)C1 ZINC000040717187 174384062 /nfs/dbraw/zinc/38/40/62/174384062.db2.gz XECPJMBXAAVFHM-INIZCTEOSA-N 1 3 287.451 2.322 10 0 CEAEHO C[C@H]1CC[N@H+](C2(CN)CCN(Cc3ccccc3)CC2)C1 ZINC000040717187 174384065 /nfs/dbraw/zinc/38/40/65/174384065.db2.gz XECPJMBXAAVFHM-INIZCTEOSA-N 1 3 287.451 2.322 10 0 CEAEHO Cc1ccc([C@@H]([C@@H](C)N)N2CCC([NH+](C)C)CC2)o1 ZINC000043364372 175024407 /nfs/dbraw/zinc/02/44/07/175024407.db2.gz PNIGWRCDUFUCMQ-IUODEOHRSA-N 1 3 265.401 2.002 10 0 CEAEHO Cc1cc(C)cc([C@H](CN)[N@@H+](C)C2CCN(C)CC2)c1 ZINC000043393843 175035227 /nfs/dbraw/zinc/03/52/27/175035227.db2.gz AYSSVXAOHOVZFS-KRWDZBQOSA-N 1 3 275.440 2.329 10 0 CEAEHO Cc1cc(C)cc([C@H](CN)[N@H+](C)C2CCN(C)CC2)c1 ZINC000043393843 175035228 /nfs/dbraw/zinc/03/52/28/175035228.db2.gz AYSSVXAOHOVZFS-KRWDZBQOSA-N 1 3 275.440 2.329 10 0 CEAEHO CCC[NH2+][C@H]1CCCC[C@H]1N(C)C1CCN(C)CC1 ZINC000043815463 175112345 /nfs/dbraw/zinc/11/23/45/175112345.db2.gz OTWBFLYSHLSLPJ-JKSUJKDBSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N(C)C1CCN(C)CC1 ZINC000043815310 175112584 /nfs/dbraw/zinc/11/25/84/175112584.db2.gz DATJXMPSLQQYBN-BMFZPTHFSA-N 1 3 267.461 2.179 10 0 CEAEHO C[NH2+][C@@H](CN1CCCN(C)CC1)c1ccc(C)c(C)c1 ZINC000043818217 175113053 /nfs/dbraw/zinc/11/30/53/175113053.db2.gz AEZCAXPCLFETHD-KRWDZBQOSA-N 1 3 275.440 2.201 10 0 CEAEHO C[NH2+][C@H](CN1CCN(C(C)(C)C)CC1)C(C)(C)C ZINC000043965457 175126422 /nfs/dbraw/zinc/12/64/22/175126422.db2.gz GBHPYWRSQNCEMC-CYBMUJFWSA-N 1 3 255.450 2.037 10 0 CEAEHO C[NH2+][C@H]1c2ccccc2C[C@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965500 175127167 /nfs/dbraw/zinc/12/71/67/175127167.db2.gz ANCYSIYHICDSMD-SJORKVTESA-N 1 3 287.451 2.288 10 0 CEAEHO C[NH2+][C@@H]1CCCCCC[C@@H]1N1CCN(CC2CC2)CC1 ZINC000043967849 175128996 /nfs/dbraw/zinc/12/89/96/175128996.db2.gz DYSRLXXKKWSVDD-SJORKVTESA-N 1 3 279.472 2.325 10 0 CEAEHO CCC[C@@H]1C[C@](C[NH3+])(N2CCN([C@@H](C)CC)CC2)CCO1 ZINC000070365890 175895149 /nfs/dbraw/zinc/89/51/49/175895149.db2.gz 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0 CEAEHO CCN(CC)CCN[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086835485 179349602 /nfs/dbraw/zinc/34/96/02/179349602.db2.gz OVEGNHHFHORFPF-HNNXBMFYSA-N 1 3 255.450 2.181 10 0 CEAEHO CCN(CC)CCN[C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086835485 179349605 /nfs/dbraw/zinc/34/96/05/179349605.db2.gz OVEGNHHFHORFPF-HNNXBMFYSA-N 1 3 255.450 2.181 10 0 CEAEHO CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2n2ccnc2)CC1 ZINC000086839670 179352138 /nfs/dbraw/zinc/35/21/38/179352138.db2.gz LAJIWKIICCAJBZ-XHSDSOJGSA-N 1 3 276.428 2.441 10 0 CEAEHO CCN1CCC[C@H]([NH2+]C[C@@H]2COc3ccccc3O2)CC1 ZINC000086836542 179352153 /nfs/dbraw/zinc/35/21/53/179352153.db2.gz NVHPRNGJWNTICZ-LSDHHAIUSA-N 1 3 290.407 2.290 10 0 CEAEHO C[C@H](Nc1cccc(OCCN(C)C)c1)[C@H]1CC[NH2+]C1 ZINC000400718507 233181447 /nfs/dbraw/zinc/18/14/47/233181447.db2.gz NWABMOPULYJADO-KBPBESRZSA-N 1 3 277.412 2.037 10 0 CEAEHO Cc1cc(F)ccc1CCN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400335272 233176942 /nfs/dbraw/zinc/17/69/42/233176942.db2.gz DARCQEMPPFRNIQ-JSGCOSHPSA-N 1 3 250.361 2.264 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[N@@H+]1CCCCC[C@@H]1C ZINC000090567054 180006314 /nfs/dbraw/zinc/00/63/14/180006314.db2.gz OJZVDNZRZJSVCK-SOUVJXGZSA-N 1 3 254.418 2.266 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[N@H+]1CCCCC[C@@H]1C ZINC000090567054 180006315 /nfs/dbraw/zinc/00/63/15/180006315.db2.gz OJZVDNZRZJSVCK-SOUVJXGZSA-N 1 3 254.418 2.266 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[NH2+]CC(C1CC1)C1CC1 ZINC000090567256 180006591 /nfs/dbraw/zinc/00/65/91/180006591.db2.gz SJYIHHKVLPGNBV-GOEBONIOSA-N 1 3 266.429 2.027 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[N@H+](C)CC1CCCC1 ZINC000090566970 180006850 /nfs/dbraw/zinc/00/68/50/180006850.db2.gz RLHKTGRDCJXBLK-LSDHHAIUSA-N 1 3 254.418 2.123 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC000090566970 180006851 /nfs/dbraw/zinc/00/68/51/180006851.db2.gz RLHKTGRDCJXBLK-LSDHHAIUSA-N 1 3 254.418 2.123 10 0 CEAEHO CCN(CC)C(=O)C[C@H](C)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000090773160 180037705 /nfs/dbraw/zinc/03/77/05/180037705.db2.gz JPPGLVQJZLPJQS-JKSUJKDBSA-N 1 3 297.487 2.343 10 0 CEAEHO CCN(CC)C(=O)C[C@H](C)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000090773160 180037706 /nfs/dbraw/zinc/03/77/06/180037706.db2.gz JPPGLVQJZLPJQS-JKSUJKDBSA-N 1 3 297.487 2.343 10 0 CEAEHO CC(C)C[NH2+]CCCCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907838 180061971 /nfs/dbraw/zinc/06/19/71/180061971.db2.gz KPTHDGZFXOQQRA-GASCZTMLSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[C@H](CC[NH3+])N1CCN(C[C@@H]2Cc3ccccc32)CC1 ZINC000090975965 180078689 /nfs/dbraw/zinc/07/86/89/180078689.db2.gz UGLSHYSQJFXMSM-DLBZAZTESA-N 1 3 287.451 2.071 10 0 CEAEHO CC(C)n1cncc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000091273016 180118133 /nfs/dbraw/zinc/11/81/33/180118133.db2.gz MFSHYKGSRSPSEU-GFCCVEGCSA-N 1 3 250.390 2.023 10 0 CEAEHO CC(C)[NH2+]CC[C@](C)(O)[C@@H]1NCCc2ccccc21 ZINC000091467972 180164379 /nfs/dbraw/zinc/16/43/79/180164379.db2.gz FQIGHIILSXUQNU-CVEARBPZSA-N 1 3 262.397 2.013 10 0 CEAEHO CC(C)C[NH2+]CC[C@@](C)(O)[C@@H]1NCCc2ccccc21 ZINC000091502887 180175204 /nfs/dbraw/zinc/17/52/04/180175204.db2.gz FRZQLRHBESJHID-IAGOWNOFSA-N 1 3 276.424 2.260 10 0 CEAEHO Cc1ccc(C)c([C@H](N)CN2CCC[C@H]([NH+](C)C)C2)c1 ZINC000091392563 180144772 /nfs/dbraw/zinc/14/47/72/180144772.db2.gz WWYXJVZUIGXCRE-DOTOQJQBSA-N 1 3 275.440 2.329 10 0 CEAEHO C[NH+](C)[C@H]1CCCN([C@@H](CN)c2ccccc2Cl)C1 ZINC000091393043 180145759 /nfs/dbraw/zinc/14/57/59/180145759.db2.gz GDJOHWBNDGUNGK-WFASDCNBSA-N 1 3 281.831 2.366 10 0 CEAEHO CCC[NH2+][C@H](C)C(C)(C)CN1CCCC[C@@H]1CO ZINC000091404115 180146964 /nfs/dbraw/zinc/14/69/64/180146964.db2.gz ILSHPMVDBJAWGD-ZIAGYGMSSA-N 1 3 256.434 2.248 10 0 CEAEHO CCC[NH2+][C@H](C)C(C)(C)CN1CCN(C)C(C)(C)C1 ZINC000091405124 180147141 /nfs/dbraw/zinc/14/71/41/180147141.db2.gz XRYFYIPTMIHTTM-CQSZACIVSA-N 1 3 269.477 2.427 10 0 CEAEHO CC(C)(C)[NH2+]CC[C@@](C)(O)[C@@H]1NCc2ccccc21 ZINC000091523056 180177993 /nfs/dbraw/zinc/17/79/93/180177993.db2.gz UHPRTQNJHIEBEO-GDBMZVCRSA-N 1 3 262.397 2.360 10 0 CEAEHO [NH3+][C@H]1CC[C@H](C(=O)Nc2ccccc2CN2CCCC2)C1 ZINC000091548157 180187455 /nfs/dbraw/zinc/18/74/55/180187455.db2.gz PPDDNKFXALDJLH-ZFWWWQNUSA-N 1 3 287.407 2.348 10 0 CEAEHO CCCN[C@@H](CC[NH+](CC)CC)Cc1ncnn1CCC ZINC000091716982 180232812 /nfs/dbraw/zinc/23/28/12/180232812.db2.gz OGLAHCAVEUGACW-HNNXBMFYSA-N 1 3 295.475 2.331 10 0 CEAEHO CCC[NH2+][C@@H](CCN(CC)CC)Cc1ncnn1CCC ZINC000091716982 180232815 /nfs/dbraw/zinc/23/28/15/180232815.db2.gz OGLAHCAVEUGACW-HNNXBMFYSA-N 1 3 295.475 2.331 10 0 CEAEHO CCCN(Cc1cc(C)on1)C1CCC([NH3+])CC1 ZINC000091852350 180273054 /nfs/dbraw/zinc/27/30/54/180273054.db2.gz GPRVOCHSMZURRN-UHFFFAOYSA-N 1 3 251.374 2.465 10 0 CEAEHO CCN(Cc1nnc(-c2ccco2)o1)C1CCC([NH3+])CC1 ZINC000091850810 180271909 /nfs/dbraw/zinc/27/19/09/180271909.db2.gz WUOWHLZHKXNBCR-UHFFFAOYSA-N 1 3 290.367 2.421 10 0 CEAEHO C[NH2+]C1CCC(N(C)CC(=O)Nc2ccccc2F)CC1 ZINC000091870669 180277052 /nfs/dbraw/zinc/27/70/52/180277052.db2.gz FGAZPEMDHNXZCL-UHFFFAOYSA-N 1 3 293.386 2.227 10 0 CEAEHO CC(C)[NH2+]Cc1cnc(N2CC[C@H]3CC[C@@H](C2)N3C)s1 ZINC000092004688 180305416 /nfs/dbraw/zinc/30/54/16/180305416.db2.gz GLAWIYYWDINYQW-OLZOCXBDSA-N 1 3 294.468 2.314 10 0 CEAEHO C[NH2+]C[C@H](C)C(=O)Nc1ccccc1CN1CCCC1 ZINC000092133787 180331530 /nfs/dbraw/zinc/33/15/30/180331530.db2.gz COPLESNWAYQHKS-ZDUSSCGKSA-N 1 3 275.396 2.076 10 0 CEAEHO c1ccc2c(c1)OC[C@H]2C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000092299775 180358616 /nfs/dbraw/zinc/35/86/16/180358616.db2.gz UGXTXCKWZFAFGA-UONOGXRCSA-N 1 3 272.392 2.237 10 0 CEAEHO c1ccc2c(c1)OC[C@H]2CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000092299775 180358617 /nfs/dbraw/zinc/35/86/17/180358617.db2.gz UGXTXCKWZFAFGA-UONOGXRCSA-N 1 3 272.392 2.237 10 0 CEAEHO c1ccc2c(c1)OC[C@H]2CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000092299775 180358619 /nfs/dbraw/zinc/35/86/19/180358619.db2.gz UGXTXCKWZFAFGA-UONOGXRCSA-N 1 3 272.392 2.237 10 0 CEAEHO CCNc1ccnc(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000092419140 180382116 /nfs/dbraw/zinc/38/21/16/180382116.db2.gz QLVKJZKHJKRQDQ-INIZCTEOSA-N 1 3 274.412 2.184 10 0 CEAEHO Cc1ccsc1[C@H]([C@H](C)[NH3+])N(C)C[C@@H]1CCCN1C ZINC000092621691 180415664 /nfs/dbraw/zinc/41/56/64/180415664.db2.gz VDDPMNBVSAYIQE-IHRRRGAJSA-N 1 3 281.469 2.471 10 0 CEAEHO CC[NH2+][C@H](C)[C@@H](C)c1nc(CCN(CC)CC)no1 ZINC000109496292 186256987 /nfs/dbraw/zinc/25/69/87/186256987.db2.gz VEMBHGHCXWWDBP-VXGBXAGGSA-N 1 3 268.405 2.055 10 0 CEAEHO CCC[C@H](C[NH3+])N1CCN(CCC(C)(C)C)CC1 ZINC000109463548 186254522 /nfs/dbraw/zinc/25/45/22/186254522.db2.gz ZKGVFBPINOXULO-CQSZACIVSA-N 1 3 255.450 2.168 10 0 CEAEHO CCCCCCN1CCN([C@@H](C[NH3+])CCC)CC1 ZINC000110444269 186296041 /nfs/dbraw/zinc/29/60/41/186296041.db2.gz DSCSUSLEZNDDGO-OAHLLOKOSA-N 1 3 255.450 2.312 10 0 CEAEHO Cc1ccc([C@H](C[NH3+])N2CCN(C)C(C)(C)C2)cc1F ZINC000110977989 186338827 /nfs/dbraw/zinc/33/88/27/186338827.db2.gz GUUHTZRBHAHQJL-HNNXBMFYSA-N 1 3 279.403 2.160 10 0 CEAEHO CCOc1ccccc1[C@H](C[NH3+])N1CCN(C)C(C)(C)C1 ZINC000110712177 186315534 /nfs/dbraw/zinc/31/55/34/186315534.db2.gz DINTYFNMNTXXKE-HNNXBMFYSA-N 1 3 291.439 2.111 10 0 CEAEHO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CCN(C)C(C)(C)C1 ZINC000110716909 186315671 /nfs/dbraw/zinc/31/56/71/186315671.db2.gz WWRUKEHXXASRDA-KFWWJZLASA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1CN([C@@H](C[NH3+])c2ccc(F)cc2C)CCN1C ZINC000110710130 186315711 /nfs/dbraw/zinc/31/57/11/186315711.db2.gz GQQZLPQTRJLBBA-HOCLYGCPSA-N 1 3 279.403 2.160 10 0 CEAEHO CC[C@H]1CN(C2(C[NH3+])CCCCCC2)CCN1C ZINC000110711112 186315914 /nfs/dbraw/zinc/31/59/14/186315914.db2.gz ORTNDBMAUBUWHQ-AWEZNQCLSA-N 1 3 253.434 2.064 10 0 CEAEHO CC[C@H]1C[N@@H+](C2(CN)CCCCCC2)CCN1C ZINC000110711112 186315915 /nfs/dbraw/zinc/31/59/15/186315915.db2.gz ORTNDBMAUBUWHQ-AWEZNQCLSA-N 1 3 253.434 2.064 10 0 CEAEHO CC[C@H]1C[N@H+](C2(CN)CCCCCC2)CCN1C ZINC000110711112 186315917 /nfs/dbraw/zinc/31/59/17/186315917.db2.gz ORTNDBMAUBUWHQ-AWEZNQCLSA-N 1 3 253.434 2.064 10 0 CEAEHO CCN1CCN([C@@H]2CCCCCC[C@@H]2[NH2+]C)C[C@@H]1C ZINC000110715030 186315984 /nfs/dbraw/zinc/31/59/84/186315984.db2.gz AHXLYFKFXMLSKL-HRCADAONSA-N 1 3 267.461 2.323 10 0 CEAEHO CCN1CCN(CC(C)(C)C[NH2+]C(C)(C)C)C[C@@H]1C ZINC000110745841 186318851 /nfs/dbraw/zinc/31/88/51/186318851.db2.gz OAQCFLHVDAFXCH-AWEZNQCLSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@H]1CN(Cc2oc3ccccc3c2C[NH3+])CCN1C ZINC000110753645 186319962 /nfs/dbraw/zinc/31/99/62/186319962.db2.gz FIRIMXMLZMTBAS-ZDUSSCGKSA-N 1 3 287.407 2.418 10 0 CEAEHO CN(CC1CC[NH+](C)CC1)[C@@H](CN)c1cccc(F)c1F ZINC000111040084 186346857 /nfs/dbraw/zinc/34/68/57/186346857.db2.gz HPMGBFOMUFKOKC-HNNXBMFYSA-N 1 3 297.393 2.238 10 0 CEAEHO C[C@@H]([NH3+])[C@H](c1ccccc1Cl)N(C)CCN(C)C ZINC000111129946 186356091 /nfs/dbraw/zinc/35/60/91/186356091.db2.gz IFFKVGGDCKFPPW-BXUZGUMPSA-N 1 3 269.820 2.222 10 0 CEAEHO CC(C)C[NH2+]Cc1cccc(CN(C)CCN(C)C)c1 ZINC000111149527 186359516 /nfs/dbraw/zinc/35/95/16/186359516.db2.gz MRMXQWCJCOSBQH-UHFFFAOYSA-N 1 3 277.456 2.426 10 0 CEAEHO CN[C@@H]1CCCC[C@@H]1C[N@H+](C)CC1CCOCC1 ZINC000111172684 186365460 /nfs/dbraw/zinc/36/54/60/186365460.db2.gz MZIXGOHHNFXBMX-HUUCEWRRSA-N 1 3 254.418 2.123 10 0 CEAEHO CN[C@@H]1CCCC[C@@H]1C[N@@H+](C)CC1CCOCC1 ZINC000111172684 186365461 /nfs/dbraw/zinc/36/54/61/186365461.db2.gz MZIXGOHHNFXBMX-HUUCEWRRSA-N 1 3 254.418 2.123 10 0 CEAEHO C[NH2+][C@@H]1CCCC[C@@H]1CN(C)CC1CCOCC1 ZINC000111172684 186365462 /nfs/dbraw/zinc/36/54/62/186365462.db2.gz MZIXGOHHNFXBMX-HUUCEWRRSA-N 1 3 254.418 2.123 10 0 CEAEHO CCN(CC)Cc1ccccc1NC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111266848 186383164 /nfs/dbraw/zinc/38/31/64/186383164.db2.gz RUCCXQQZFGYBTP-DZGCQCFKSA-N 1 3 289.423 2.322 10 0 CEAEHO C[C@H](CN1CCCCC1)NC(=O)C(C)(C)[C@@H]1CCC[NH2+]C1 ZINC000120114338 186876599 /nfs/dbraw/zinc/87/65/99/186876599.db2.gz HRIVIISIILETGY-HUUCEWRRSA-N 1 3 295.471 2.003 10 0 CEAEHO CCC1(C[N@@H+]2CC[C@@]3(C2)CCCNC3)CCOCC1 ZINC000335866282 365089631 /nfs/dbraw/zinc/08/96/31/365089631.db2.gz LGAGLMJNCFMCFC-INIZCTEOSA-N 1 3 266.429 2.269 10 0 CEAEHO CCC1(C[N@H+]2CC[C@@]3(C2)CCCNC3)CCOCC1 ZINC000335866282 365089640 /nfs/dbraw/zinc/08/96/40/365089640.db2.gz LGAGLMJNCFMCFC-INIZCTEOSA-N 1 3 266.429 2.269 10 0 CEAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](N[C@H](C)CC(=O)OC(C)(C)C)C1 ZINC000246135017 370913322 /nfs/dbraw/zinc/91/33/22/370913322.db2.gz AGYHKWFBOPPCNZ-MGPQQGTHSA-N 1 3 284.444 2.425 10 0 CEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](N[C@H](C)CC(=O)OC(C)(C)C)C1 ZINC000246135017 370913330 /nfs/dbraw/zinc/91/33/30/370913330.db2.gz AGYHKWFBOPPCNZ-MGPQQGTHSA-N 1 3 284.444 2.425 10 0 CEAEHO COC[C@H](CCC[NH3+])N[C@@H](C)c1ccc(F)c(F)c1 ZINC000234802343 370542691 /nfs/dbraw/zinc/54/26/91/370542691.db2.gz BQJISDNNIPVCLM-JQWIXIFHSA-N 1 3 272.339 2.369 10 0 CEAEHO COc1ccccc1N1CCN(CCC(C)(C)C[NH3+])CC1 ZINC000087590418 135050708 /nfs/dbraw/zinc/05/07/08/135050708.db2.gz RXIOEPCMOKOTFP-UHFFFAOYSA-N 1 3 291.439 2.192 10 0 CEAEHO [NH3+][C@@H]1C=C[C@@H](CN2CCN(c3ccccc3Cl)CC2)C1 ZINC000092208944 135076146 /nfs/dbraw/zinc/07/61/46/135076146.db2.gz NKBXZUWZFNLXHU-ZIAGYGMSSA-N 1 3 291.826 2.365 10 0 CEAEHO c1cc(C[NH2+]C2CC2)cc(N2CCN3CCCC[C@@H]3C2)n1 ZINC000094443194 135088563 /nfs/dbraw/zinc/08/85/63/135088563.db2.gz MGAITAJUOSEVFC-MRXNPFEDSA-N 1 3 286.423 2.008 10 0 CEAEHO [NH3+]CCc1cc(F)ccc1N1CCN2CCCC[C@@H]2C1 ZINC000094444563 135088652 /nfs/dbraw/zinc/08/86/52/135088652.db2.gz JZXWQSRFXRVISB-OAHLLOKOSA-N 1 3 277.387 2.001 10 0 CEAEHO CCC[NH2+]Cc1cc(N2CCN3CCCC[C@@H]3C2)ccn1 ZINC000094443225 135089002 /nfs/dbraw/zinc/08/90/02/135089002.db2.gz ODUYECYTAMTAGF-QGZVFWFLSA-N 1 3 288.439 2.256 10 0 CEAEHO Cc1cc(C)cc(OCCN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000381143299 395172903 /nfs/dbraw/zinc/17/29/03/395172903.db2.gz KAPLKHCSBTUSRI-UAGQMJEPSA-N 1 3 274.408 2.351 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(C[C@H]3CCC4(CCCC4)O3)C[C@H]12 ZINC000389155996 400537182 /nfs/dbraw/zinc/53/71/82/400537182.db2.gz YAIFTVRPCIQIOW-APIJFGDWSA-N 1 3 264.413 2.147 10 0 CEAEHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000263206520 154034017 /nfs/dbraw/zinc/03/40/17/154034017.db2.gz JTRDUXJBYOTWIA-SLBVQIDZSA-N 1 3 294.826 2.146 10 0 CEAEHO CCC(C)(C)C1CCC(NC[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263209102 154036221 /nfs/dbraw/zinc/03/62/21/154036221.db2.gz KBYJOXLVTWTSNU-PPWQZUPISA-N 1 3 268.445 2.151 10 0 CEAEHO CCC(C)(C)C1CCC([NH2+]C[C@@H]2CNC[C@@H]2O)CC1 ZINC000263209102 154036224 /nfs/dbraw/zinc/03/62/24/154036224.db2.gz KBYJOXLVTWTSNU-PPWQZUPISA-N 1 3 268.445 2.151 10 0 CEAEHO Cc1cccc([C@H](C[NH3+])N2CCN(CC3CC3)CC2)c1 ZINC000020179471 171043967 /nfs/dbraw/zinc/04/39/67/171043967.db2.gz HXSMEPPIXYFEEN-KRWDZBQOSA-N 1 3 273.424 2.022 10 0 CEAEHO [NH3+]C[C@@H](c1cccc(Cl)c1)N1CCN(CC2CC2)CC1 ZINC000020179644 171044433 /nfs/dbraw/zinc/04/44/33/171044433.db2.gz ATSGVSWOTMHBIJ-INIZCTEOSA-N 1 3 293.842 2.367 10 0 CEAEHO Cc1cccc(C)c1OC[C@H](CC[NH3+])N1CCCC1 ZINC000020402069 171182559 /nfs/dbraw/zinc/18/25/59/171182559.db2.gz RPKDTFHQGRTRAI-HNNXBMFYSA-N 1 3 262.397 2.495 10 0 CEAEHO CCCCCC[C@@H](CN)[N@H+](C)C1CCN(C)CC1 ZINC000020520581 171233869 /nfs/dbraw/zinc/23/38/69/171233869.db2.gz XBEMWWPWRFWXLS-HNNXBMFYSA-N 1 3 255.450 2.310 10 0 CEAEHO CCCCCC[C@@H](CN)[N@@H+](C)C1CCN(C)CC1 ZINC000020520581 171233870 /nfs/dbraw/zinc/23/38/70/171233870.db2.gz XBEMWWPWRFWXLS-HNNXBMFYSA-N 1 3 255.450 2.310 10 0 CEAEHO CC[C@@H]1CC[C@@H](CN)[C@H]([NH+]2CCC(OC)CC2)C1 ZINC000037265705 173075162 /nfs/dbraw/zinc/07/51/62/173075162.db2.gz NIASVWZGWCIHGT-VNHYZAJKSA-N 1 3 254.418 2.251 10 0 CEAEHO CC[C@H]([NH3+])[C@H](c1ccco1)N(C)C1CCN(C)CC1 ZINC000043334454 175010674 /nfs/dbraw/zinc/01/06/74/175010674.db2.gz JZPXRGMXFKWWLM-DZGCQCFKSA-N 1 3 265.401 2.084 10 0 CEAEHO CCCN1CCN([C@@H]2C[C@@H](CC)CC[C@@H]2[NH2+]C)CC1 ZINC000043805282 175107423 /nfs/dbraw/zinc/10/74/23/175107423.db2.gz VZQDHQGKIMGKNC-HRCADAONSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[NH2+][C@@H](CN1CCN(CC2CC2)CC1)C(C)(C)C ZINC000043967923 175129201 /nfs/dbraw/zinc/12/92/01/175129201.db2.gz IBAXENSUNUWAQC-HNNXBMFYSA-N 1 3 267.461 2.038 10 0 CEAEHO CC[NH2+][C@H](C)c1cccc(NC(=O)NC[C@H](C)N(C)C)c1 ZINC000045113995 175310947 /nfs/dbraw/zinc/31/09/47/175310947.db2.gz JBFZYUFFIMZWJM-QWHCGFSZSA-N 1 3 292.427 2.429 10 0 CEAEHO C[C@](CCC[NH+]1CCCCCCC1)(NC1CC1)C(N)=O ZINC000045371668 175364313 /nfs/dbraw/zinc/36/43/13/175364313.db2.gz LAMKUGGTNVLWQN-MRXNPFEDSA-N 1 3 281.444 2.029 10 0 CEAEHO CCC[N@H+](CCCC[C@@](C)(NC1CC1)C(N)=O)C1CC1 ZINC000045387506 175372647 /nfs/dbraw/zinc/37/26/47/175372647.db2.gz GQOHNLJCUFKUAT-MRXNPFEDSA-N 1 3 281.444 2.027 10 0 CEAEHO CCC[N@@H+](CCCC[C@@](C)(NC1CC1)C(N)=O)C1CC1 ZINC000045387506 175372648 /nfs/dbraw/zinc/37/26/48/175372648.db2.gz GQOHNLJCUFKUAT-MRXNPFEDSA-N 1 3 281.444 2.027 10 0 CEAEHO CC[C@@H]1CCC[C@](CN)([N@H+](C)CCCN(C)C)C1 ZINC000071124984 176034884 /nfs/dbraw/zinc/03/48/84/176034884.db2.gz MEXUIRHKVXDQSD-CABCVRRESA-N 1 3 255.450 2.168 10 0 CEAEHO CC[C@@H]1CCC[C@](CN)([N@@H+](C)CCCN(C)C)C1 ZINC000071124984 176034885 /nfs/dbraw/zinc/03/48/85/176034885.db2.gz MEXUIRHKVXDQSD-CABCVRRESA-N 1 3 255.450 2.168 10 0 CEAEHO CC[C@H]1CCC[C@@](CN)([N@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071124900 176035105 /nfs/dbraw/zinc/03/51/05/176035105.db2.gz VPJWFKMYOKBSKO-ARFHVFGLSA-N 1 3 267.461 2.168 10 0 CEAEHO CC[C@H]1CCC[C@@](CN)([N@@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071124900 176035106 /nfs/dbraw/zinc/03/51/06/176035106.db2.gz VPJWFKMYOKBSKO-ARFHVFGLSA-N 1 3 267.461 2.168 10 0 CEAEHO CC[C@H]([C@@H](N)c1ccccc1)[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188687 176063530 /nfs/dbraw/zinc/06/35/30/176063530.db2.gz QMWPGRRIVZPOFM-OIISXLGYSA-N 1 3 275.440 2.349 10 0 CEAEHO CC[C@H]([C@@H](N)c1ccccc1)[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188687 176063532 /nfs/dbraw/zinc/06/35/32/176063532.db2.gz QMWPGRRIVZPOFM-OIISXLGYSA-N 1 3 275.440 2.349 10 0 CEAEHO Cc1cc(C)c([C@H](N)CN(C)C[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC000071188776 176063591 /nfs/dbraw/zinc/06/35/91/176063591.db2.gz QOCNCRCPMFSOKJ-IAGOWNOFSA-N 1 3 289.467 2.495 10 0 CEAEHO Cc1cc(C)c([C@H](N)CN(C)C[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC000071188776 176063592 /nfs/dbraw/zinc/06/35/92/176063592.db2.gz QOCNCRCPMFSOKJ-IAGOWNOFSA-N 1 3 289.467 2.495 10 0 CEAEHO CC(C)CNCc1ccc(CN(C)C[C@@H]2CC[N@H+](C)C2)o1 ZINC000071191964 176071871 /nfs/dbraw/zinc/07/18/71/176071871.db2.gz JTYCSHNGTBXSOO-OAHLLOKOSA-N 1 3 293.455 2.409 10 0 CEAEHO CC(C)CNCc1ccc(CN(C)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC000071191964 176071872 /nfs/dbraw/zinc/07/18/72/176071872.db2.gz JTYCSHNGTBXSOO-OAHLLOKOSA-N 1 3 293.455 2.409 10 0 CEAEHO Cc1nccn1CC[N@@H+]1CC2(CCCC2)NC[C@H]1C1CC1 ZINC000071358695 176137334 /nfs/dbraw/zinc/13/73/34/176137334.db2.gz BPCRPKMEJMBOBG-INIZCTEOSA-N 1 3 288.439 2.188 10 0 CEAEHO Cc1nccn1CC[N@H+]1CC2(CCCC2)NC[C@H]1C1CC1 ZINC000071358695 176137335 /nfs/dbraw/zinc/13/73/35/176137335.db2.gz BPCRPKMEJMBOBG-INIZCTEOSA-N 1 3 288.439 2.188 10 0 CEAEHO [NH3+][C@H]1CCC[C@H](N2CCN(Cc3ccccc3)CC2)C1 ZINC000071613649 176233241 /nfs/dbraw/zinc/23/32/41/176233241.db2.gz OLPLSJBZHSPNJI-IRXDYDNUSA-N 1 3 273.424 2.074 10 0 CEAEHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccnc2ccccc12 ZINC000666743897 419414012 /nfs/dbraw/zinc/41/40/12/419414012.db2.gz LRQQTASULZFOGG-WFASDCNBSA-N 1 3 255.365 2.452 10 0 CEAEHO CC(C)[C@@H]([NH3+])CC(=O)Nc1cccc(CN(C)C)c1 ZINC000136335835 419443709 /nfs/dbraw/zinc/44/37/09/419443709.db2.gz GDSSVSDLSOSCDJ-AWEZNQCLSA-N 1 3 263.385 2.060 10 0 CEAEHO CC1(C)CN(Cc2ccccc2)CC[C@H]1N[C@H]1CC[NH2+]C1 ZINC000390555419 262216887 /nfs/dbraw/zinc/21/68/87/262216887.db2.gz LFUUICPNYHESCS-DLBZAZTESA-N 1 3 287.451 2.239 10 0 CEAEHO C[C@@H](C[NH2+]CC1CCOCC1)CN1CCCCC1 ZINC000052178608 278282967 /nfs/dbraw/zinc/28/29/67/278282967.db2.gz SWWURJFXLKGWHG-AWEZNQCLSA-N 1 3 254.418 2.125 10 0 CEAEHO Cc1cccnc1CCC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000566088897 313848766 /nfs/dbraw/zinc/84/87/66/313848766.db2.gz JSIOXWFWBBWNNB-GJZGRUSLSA-N 1 3 261.413 2.300 10 0 CEAEHO [NH3+]C1CCC(NCc2ccn(Cc3ccccc3)n2)CC1 ZINC000389949228 321893126 /nfs/dbraw/zinc/89/31/26/321893126.db2.gz WDXPUVHYUZIMGU-UHFFFAOYSA-N 1 3 284.407 2.291 10 0 CEAEHO CC(C)[NH2+]CC(C)(C)CN1CCC[C@H]1CCCO ZINC000052763380 519719786 /nfs/dbraw/zinc/71/97/86/519719786.db2.gz UOKWBVQLTMDXIU-AWEZNQCLSA-N 1 3 256.434 2.248 10 0 CEAEHO CC(C)[C@@H](C[NH2+]C(C)(C)C)N1CCN(C(C)C)CC1 ZINC000052479960 519794754 /nfs/dbraw/zinc/79/47/54/519794754.db2.gz AGHSKYGKXIOWOK-OAHLLOKOSA-N 1 3 269.477 2.425 10 0 CEAEHO CCCN1CCN([C@H](C[NH2+]C(C)C)C(C)C)CC1 ZINC000052421698 519859804 /nfs/dbraw/zinc/85/98/04/519859804.db2.gz AAVKJZIINRTOFB-OAHLLOKOSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1CN(CC)CCO ZINC000054560042 520217065 /nfs/dbraw/zinc/21/70/65/520217065.db2.gz FRKYYOAGLCQNMX-OAGGEKHMSA-N 1 3 270.461 2.351 10 0 CEAEHO CC(C)(C)[NH2+]C[C@@H]1CC[C@@H](COCCN2CCCCC2)O1 ZINC000052671057 518760264 /nfs/dbraw/zinc/76/02/64/518760264.db2.gz RUMCICDBXLFXQT-HOTGVXAUSA-N 1 3 298.471 2.425 10 0 CEAEHO CC(C)(C)[NH2+]C[C@H]1CC[C@@H](COCCN2CCCC2)O1 ZINC000052670488 518762419 /nfs/dbraw/zinc/76/24/19/518762419.db2.gz UYALFMCSUZCYPT-CABCVRRESA-N 1 3 284.444 2.035 10 0 CEAEHO CC(C)CN1CCN([C@@H](C[NH3+])c2ccsc2)CC1 ZINC000055076998 519727502 /nfs/dbraw/zinc/72/75/02/519727502.db2.gz ACBKGUKQYITYST-AWEZNQCLSA-N 1 3 267.442 2.022 10 0 CEAEHO CC(C)CN1CCN(c2nc3c(s2)[C@@H]([NH3+])CCC3)CC1 ZINC000055076387 519728960 /nfs/dbraw/zinc/72/89/60/519728960.db2.gz VVCQFAFCLZXXEO-LBPRGKRZSA-N 1 3 294.468 2.257 10 0 CEAEHO CC(C)CN1CCN(c2cccc(C[NH2+]C(C)C)n2)CC1 ZINC000055082606 519729177 /nfs/dbraw/zinc/72/91/77/519729177.db2.gz UYWGFBHNUZXWSP-UHFFFAOYSA-N 1 3 290.455 2.358 10 0 CEAEHO CC(C)C[NH2+]CCCCCN(C)Cc1cnn(C)c1 ZINC000052570407 519743226 /nfs/dbraw/zinc/74/32/26/519743226.db2.gz GMOVGSJZEVYVDM-UHFFFAOYSA-N 1 3 266.433 2.268 10 0 CEAEHO CC(C)C[C@@H](CN(C)C)N1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602420 519775172 /nfs/dbraw/zinc/77/51/72/519775172.db2.gz QEIWIUBBJOFTPB-UYTSQGDYSA-N 1 3 267.461 2.307 10 0 CEAEHO CC(C)[C@H](CN(C)C)[NH2+]C1CCN(C(C)C)CC1 ZINC000049195241 519814431 /nfs/dbraw/zinc/81/44/31/519814431.db2.gz GJZVHLXSOWQLBT-HNNXBMFYSA-N 1 3 255.450 2.035 10 0 CEAEHO CCCN1CCN(C[C@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054559446 519858507 /nfs/dbraw/zinc/85/85/07/519858507.db2.gz YNLMSIZZWMTLDD-ZACQAIPSSA-N 1 3 281.488 2.414 10 0 CEAEHO CCCN1CCN([C@H](C[NH3+])c2cc(C)ccc2C)CC1 ZINC000049670366 519859396 /nfs/dbraw/zinc/85/93/96/519859396.db2.gz AZIGBJYTTVAYNJ-QGZVFWFLSA-N 1 3 275.440 2.331 10 0 CEAEHO CCCNCc1nc(CN(CCC)CC[NH+](C)C)cs1 ZINC000052544091 519965896 /nfs/dbraw/zinc/96/58/96/519965896.db2.gz JFJRSTPMKIAQKQ-UHFFFAOYSA-N 1 3 298.500 2.416 10 0 CEAEHO CCNC[C@]1(C[N@H+](CC)CC2CC2)CCCOC1 ZINC000069262685 519983764 /nfs/dbraw/zinc/98/37/64/519983764.db2.gz XTVZIILEKPBVTC-HNNXBMFYSA-N 1 3 254.418 2.125 10 0 CEAEHO CCNC[C@]1(C[N@@H+](CC)CC2CC2)CCCOC1 ZINC000069262685 519983771 /nfs/dbraw/zinc/98/37/71/519983771.db2.gz XTVZIILEKPBVTC-HNNXBMFYSA-N 1 3 254.418 2.125 10 0 CEAEHO CC[NH2+]C[C@]1(CN(CC)CC2CC2)CCCOC1 ZINC000069262685 519983778 /nfs/dbraw/zinc/98/37/78/519983778.db2.gz XTVZIILEKPBVTC-HNNXBMFYSA-N 1 3 254.418 2.125 10 0 CEAEHO CC[NH2+]Cc1ccccc1OCCN(C)[C@H](C)COC ZINC000052511620 520008726 /nfs/dbraw/zinc/00/87/26/520008726.db2.gz FUWCJYMPHRTOFR-CQSZACIVSA-N 1 3 280.412 2.142 10 0 CEAEHO CC[NH2+]Cc1sc(N(C)C2CCN(C)CC2)nc1C ZINC000054994892 520033497 /nfs/dbraw/zinc/03/34/97/520033497.db2.gz PXIPNJVIZABPNV-UHFFFAOYSA-N 1 3 282.457 2.091 10 0 CEAEHO CCN[C@@H](C)c1cnc(CC[NH+](CC)CC)nc1C ZINC000054962986 520079789 /nfs/dbraw/zinc/07/97/89/520079789.db2.gz HMJKDZUTTCXONS-LBPRGKRZSA-N 1 3 264.417 2.340 10 0 CEAEHO CCC[C@@H](C)[NH2+]CCN1CCN(CC(C)C)CC1 ZINC000055075989 520667188 /nfs/dbraw/zinc/66/71/88/520667188.db2.gz BJDDWSLCICBJAI-OAHLLOKOSA-N 1 3 255.450 2.038 10 0 CEAEHO CC[NH+](CC)CCc1nccc(CNC(C)(C)C)n1 ZINC000054792144 520714078 /nfs/dbraw/zinc/71/40/78/520714078.db2.gz FZZFPVFWFQXBSK-UHFFFAOYSA-N 1 3 264.417 2.249 10 0 CEAEHO CCC[C@H](C)[NH2+]C[C@@H](C)N1CCC[C@@H]1CN(C)C ZINC000061655158 521060807 /nfs/dbraw/zinc/06/08/07/521060807.db2.gz ZUEPIQNCQRGCLG-RRFJBIMHSA-N 1 3 255.450 2.179 10 0 CEAEHO CCC[C@](C)(C[NH2+]C)CN1CCN(CC(C)C)CC1 ZINC000055081680 521267610 /nfs/dbraw/zinc/26/76/10/521267610.db2.gz SSQYNDTVHDEOHO-MRXNPFEDSA-N 1 3 269.477 2.286 10 0 CEAEHO CCCN(CCN(C)C)[C@@H](CC)C[NH2+]C(C)(C)C ZINC000052544139 521657694 /nfs/dbraw/zinc/65/76/94/521657694.db2.gz FIPFDMQKKNPFCK-AWEZNQCLSA-N 1 3 257.466 2.427 10 0 CEAEHO CCCN(CCN(C)C)c1nc(CC)c(C[NH2+]C)s1 ZINC000055000597 521658741 /nfs/dbraw/zinc/65/87/41/521658741.db2.gz MOYQJMJHBMOFMA-UHFFFAOYSA-N 1 3 284.473 2.203 10 0 CEAEHO CCCN(CCO)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054560236 521667425 /nfs/dbraw/zinc/66/74/25/521667425.db2.gz DHMDYOQTUWDPNK-ILXRZTDVSA-N 1 3 256.434 2.090 10 0 CEAEHO C[NH+](C)C[C@H]1CCCN1Cc1occc1CNC1CC1 ZINC000061654470 521872349 /nfs/dbraw/zinc/87/23/49/521872349.db2.gz QSYGRJXJIKCTON-OAHLLOKOSA-N 1 3 277.412 2.058 10 0 CEAEHO CCc1ccccc1[C@@H](CN)N1CCC([NH+](C)C)CC1 ZINC000052203567 521930698 /nfs/dbraw/zinc/93/06/98/521930698.db2.gz UTTZUAUGQPSVLH-QGZVFWFLSA-N 1 3 275.440 2.275 10 0 CEAEHO C[NH2+]C[C@@H](c1ccccc1)N(CCN(C)C)CC(C)C ZINC000052503409 522038316 /nfs/dbraw/zinc/03/83/16/522038316.db2.gz JJGWXLGXBOKDIT-KRWDZBQOSA-N 1 3 277.456 2.467 10 0 CEAEHO CC[C@@H](C)N1CCN(Cc2ccccc2C[NH2+]C)CC1 ZINC000055074016 522125548 /nfs/dbraw/zinc/12/55/48/522125548.db2.gz LOIQCRUULSPULW-OAHLLOKOSA-N 1 3 275.440 2.322 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H]([C@@H](C)[NH3+])C(C)(C)C)CC1 ZINC000055063981 522129828 /nfs/dbraw/zinc/12/98/28/522129828.db2.gz ADYPYGYCJFHNGZ-MCIONIFRSA-N 1 3 255.450 2.164 10 0 CEAEHO CC[C@@H](N)[C@@H]([N@@H+]1CCC[C@@H]1CN(C)C)C(C)(C)C ZINC000061642083 522646227 /nfs/dbraw/zinc/64/62/27/522646227.db2.gz KELVUULDMLVHRU-MGPQQGTHSA-N 1 3 255.450 2.164 10 0 CEAEHO CC[C@@H](N)[C@@H]([N@H+]1CCC[C@@H]1CN(C)C)C(C)(C)C ZINC000061642083 522646230 /nfs/dbraw/zinc/64/62/30/522646230.db2.gz KELVUULDMLVHRU-MGPQQGTHSA-N 1 3 255.450 2.164 10 0 CEAEHO COC1CCN(C[C@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052455437 522704878 /nfs/dbraw/zinc/70/48/78/522704878.db2.gz FLOMHAIRHWRYTA-LSDHHAIUSA-N 1 3 284.444 2.033 10 0 CEAEHO COc1ccc(C)cc1[C@H](N)CN1CCC[C@@H]1C[NH+](C)C ZINC000061643495 523860727 /nfs/dbraw/zinc/86/07/27/523860727.db2.gz KVDPMCVKQVLNBL-GDBMZVCRSA-N 1 3 291.439 2.029 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C[NH3+])C2CCCCC2)CC1 ZINC000055064567 523959305 /nfs/dbraw/zinc/95/93/05/523959305.db2.gz FDNWQTFRSBTKRO-GOEBONIOSA-N 1 3 267.461 2.310 10 0 CEAEHO CN(C)C1CC[NH+]([C@@H](CC(N)=S)c2ccccc2)CC1 ZINC000055024736 524040716 /nfs/dbraw/zinc/04/07/16/524040716.db2.gz QZPDQVNQCOHQCP-HNNXBMFYSA-N 1 3 291.464 2.430 10 0 CEAEHO C[NH+](C)CC(C)(C)Cn1c(N)nc2ccc(F)cc21 ZINC000052122758 524046685 /nfs/dbraw/zinc/04/66/85/524046685.db2.gz YYYULDIDZYZFPB-UHFFFAOYSA-N 1 3 264.348 2.345 10 0 CEAEHO COc1ccc([C@@H](CN)N2CCC([NH+](C)C)CC2)cc1C ZINC000050596688 525179669 /nfs/dbraw/zinc/17/96/69/525179669.db2.gz GCXHSPRQARIRDH-MRXNPFEDSA-N 1 3 291.439 2.029 10 0 CEAEHO COc1ccc([C@@H](N)[C@H](C)[N@H+](C)C2CCN(C)CC2)cc1 ZINC000052684850 525192374 /nfs/dbraw/zinc/19/23/74/525192374.db2.gz KZIQVHNPNHNGDK-GUYCJALGSA-N 1 3 291.439 2.110 10 0 CEAEHO COc1ccc([C@@H](N)[C@H](C)[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000052684850 525192383 /nfs/dbraw/zinc/19/23/83/525192383.db2.gz KZIQVHNPNHNGDK-GUYCJALGSA-N 1 3 291.439 2.110 10 0 CEAEHO Cc1n[nH]cc1CCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157433179 525499214 /nfs/dbraw/zinc/49/92/14/525499214.db2.gz XGSRJXVTLJCPBE-JKSUJKDBSA-N 1 3 270.380 2.385 10 0 CEAEHO Fc1ccc(N2CCN(CCC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000052764228 526351957 /nfs/dbraw/zinc/35/19/57/526351957.db2.gz FMUXOWRVNJKCAB-INIZCTEOSA-N 1 3 291.414 2.480 10 0 CEAEHO c1ccc(CN2CCN(CCC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000052764566 526469979 /nfs/dbraw/zinc/46/99/79/526469979.db2.gz VJDIJHSDINMTNZ-SFHVURJKSA-N 1 3 287.451 2.336 10 0 CEAEHO NCC1(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)CCOCC1 ZINC000052182006 527163889 /nfs/dbraw/zinc/16/38/89/527163889.db2.gz UUPHXTZMTDXDIJ-GJZGRUSLSA-N 1 3 266.429 2.397 10 0 CEAEHO NCC1(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)CCOCC1 ZINC000052182006 527163897 /nfs/dbraw/zinc/16/38/97/527163897.db2.gz UUPHXTZMTDXDIJ-GJZGRUSLSA-N 1 3 266.429 2.397 10 0 CEAEHO CCN1CC[C@H](C[NH2+]Cc2cc(C)c(O)c(C)c2)C1 ZINC000037644273 361916255 /nfs/dbraw/zinc/91/62/55/361916255.db2.gz YRSCMRMAAXCVQK-CQSZACIVSA-N 1 3 262.397 2.440 10 0 CEAEHO CCOCCN(C)Cc1ccc([C@H](C)C[NH3+])cc1 ZINC000097806391 185670674 /nfs/dbraw/zinc/67/06/74/185670674.db2.gz PYBYVLJTAZXPIO-CYBMUJFWSA-N 1 3 250.386 2.217 10 0 CEAEHO CO[C@@H]1CCC[C@H](N2CC[NH2+]C3(CCCC3)C2)C1 ZINC000085435347 179062131 /nfs/dbraw/zinc/06/21/31/179062131.db2.gz BVIDTPBDVVRLBR-UONOGXRCSA-N 1 3 252.402 2.162 10 0 CEAEHO c1csc(CC[N@@H+]2CCCN[C@H](C3CC3)C2)c1 ZINC000085616055 179103845 /nfs/dbraw/zinc/10/38/45/179103845.db2.gz HZSWGOTVNUTHDO-AWEZNQCLSA-N 1 3 250.411 2.365 10 0 CEAEHO c1csc(CC[N@H+]2CCCN[C@H](C3CC3)C2)c1 ZINC000085616055 179103848 /nfs/dbraw/zinc/10/38/48/179103848.db2.gz HZSWGOTVNUTHDO-AWEZNQCLSA-N 1 3 250.411 2.365 10 0 CEAEHO CO[C@H]1CCC[C@@H](N2CCC[NH2+][C@H](C3CC3)C2)C1 ZINC000085616385 179104302 /nfs/dbraw/zinc/10/43/02/179104302.db2.gz HPELTXITXHJFGJ-ILXRZTDVSA-N 1 3 252.402 2.018 10 0 CEAEHO C[C@H]1CCNC2(CCCCC2)C[N@@H+]1CCn1cccn1 ZINC000085621016 179106212 /nfs/dbraw/zinc/10/62/12/179106212.db2.gz NQXUJFQEJKPVOM-HNNXBMFYSA-N 1 3 276.428 2.270 10 0 CEAEHO C[C@H]1CCNC2(CCCCC2)C[N@H+]1CCn1cccn1 ZINC000085621016 179106215 /nfs/dbraw/zinc/10/62/15/179106215.db2.gz NQXUJFQEJKPVOM-HNNXBMFYSA-N 1 3 276.428 2.270 10 0 CEAEHO CC[C@@H]1CNC2(CCCCC2)C[N@@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182628 179248154 /nfs/dbraw/zinc/24/81/54/179248154.db2.gz ABONIMBPNWFISB-IAGOWNOFSA-N 1 3 291.483 2.467 10 0 CEAEHO CC[C@@H]1CNC2(CCCCC2)C[N@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182628 179248157 /nfs/dbraw/zinc/24/81/57/179248157.db2.gz ABONIMBPNWFISB-IAGOWNOFSA-N 1 3 291.483 2.467 10 0 CEAEHO CC[C@H]1CN[C@](C)(CC)C[N@@H+]1C[C@@H]1CCN(CC)C1 ZINC000086223035 179250958 /nfs/dbraw/zinc/25/09/58/179250958.db2.gz OBNNTZZJWGASKE-OWCLPIDISA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@H]1CN[C@](C)(CC)C[N@H+]1C[C@@H]1CCN(CC)C1 ZINC000086223035 179250960 /nfs/dbraw/zinc/25/09/60/179250960.db2.gz OBNNTZZJWGASKE-OWCLPIDISA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@H]1CN[C@H](CC(C)C)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223173 179252225 /nfs/dbraw/zinc/25/22/25/179252225.db2.gz JLGOWXVRPQLKJI-OAGGEKHMSA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@H]1CN[C@H](CC(C)C)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223173 179252227 /nfs/dbraw/zinc/25/22/27/179252227.db2.gz JLGOWXVRPQLKJI-OAGGEKHMSA-N 1 3 267.461 2.037 10 0 CEAEHO CCC[C@H]1C[N@H+]([C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086224017 179253066 /nfs/dbraw/zinc/25/30/66/179253066.db2.gz STHHSFNGKDIMEZ-XHSDSOJGSA-N 1 3 267.461 2.179 10 0 CEAEHO CCC[C@H]1C[N@@H+]([C@@H]2CCCN(C)C2)[C@H](C(C)C)CN1 ZINC000086224017 179253067 /nfs/dbraw/zinc/25/30/67/179253067.db2.gz STHHSFNGKDIMEZ-XHSDSOJGSA-N 1 3 267.461 2.179 10 0 CEAEHO CCC[C@H]1CN([C@@H]2CCCN(C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086224017 179253068 /nfs/dbraw/zinc/25/30/68/179253068.db2.gz STHHSFNGKDIMEZ-XHSDSOJGSA-N 1 3 267.461 2.179 10 0 CEAEHO C[C@@H]1CN[C@@H](c2ccccc2)C[N@@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182486 179247791 /nfs/dbraw/zinc/24/77/91/179247791.db2.gz VSARDBRBUXOYIJ-ZTFGCOKTSA-N 1 3 285.435 2.116 10 0 CEAEHO C[C@@H]1CN[C@@H](c2ccccc2)C[N@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182486 179247794 /nfs/dbraw/zinc/24/77/94/179247794.db2.gz VSARDBRBUXOYIJ-ZTFGCOKTSA-N 1 3 285.435 2.116 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259201 179257804 /nfs/dbraw/zinc/25/78/04/179257804.db2.gz YMFFJVNNIPVYDS-DJIMGWMZSA-N 1 3 279.472 2.181 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259201 179257806 /nfs/dbraw/zinc/25/78/06/179257806.db2.gz YMFFJVNNIPVYDS-DJIMGWMZSA-N 1 3 279.472 2.181 10 0 CEAEHO CC(C)(C)[C@@H]1C[N@H+](CCc2cccnc2)CCCN1 ZINC000086288738 179264491 /nfs/dbraw/zinc/26/44/91/179264491.db2.gz FPJLJEDRFVPGJN-HNNXBMFYSA-N 1 3 261.413 2.334 10 0 CEAEHO CC(C)(C)[C@@H]1C[N@@H+](CCc2cccnc2)CCCN1 ZINC000086288738 179264492 /nfs/dbraw/zinc/26/44/92/179264492.db2.gz FPJLJEDRFVPGJN-HNNXBMFYSA-N 1 3 261.413 2.334 10 0 CEAEHO CC[C@H]1CN[C@](C)(CC)C[N@@H+]1CC1CCN(C)CC1 ZINC000086259057 179257205 /nfs/dbraw/zinc/25/72/05/179257205.db2.gz LPIZUJNNCSGGQP-JKSUJKDBSA-N 1 3 267.461 2.181 10 0 CEAEHO CC[C@H]1CN[C@](C)(CC)C[N@H+]1CC1CCN(C)CC1 ZINC000086259057 179257206 /nfs/dbraw/zinc/25/72/06/179257206.db2.gz LPIZUJNNCSGGQP-JKSUJKDBSA-N 1 3 267.461 2.181 10 0 CEAEHO [NH3+][C@H]1CC[C@H](NCc2cccc(Br)c2)C1 ZINC000086399731 179285027 /nfs/dbraw/zinc/28/50/27/179285027.db2.gz ROIKHTZIIOOGLB-RYUDHWBXSA-N 1 3 269.186 2.419 10 0 CEAEHO C[N@@H+]1CCC[C@@H](N2CCc3c(N)cccc3C2)CC1 ZINC000086833498 179349184 /nfs/dbraw/zinc/34/91/84/179349184.db2.gz GOURPSFEBHINRV-CQSZACIVSA-N 1 3 259.397 2.111 10 0 CEAEHO C[N@H+]1CCC[C@@H](N2CCc3c(N)cccc3C2)CC1 ZINC000086833498 179349185 /nfs/dbraw/zinc/34/91/85/179349185.db2.gz GOURPSFEBHINRV-CQSZACIVSA-N 1 3 259.397 2.111 10 0 CEAEHO CCC[N@@H+]1CCC[C@@H](NCCc2ccccn2)CC1 ZINC000086835416 179349939 /nfs/dbraw/zinc/34/99/39/179349939.db2.gz NWWBTAGKULXZGZ-MRXNPFEDSA-N 1 3 261.413 2.478 10 0 CEAEHO CCC[N@H+]1CCC[C@@H](NCCc2ccccn2)CC1 ZINC000086835416 179349941 /nfs/dbraw/zinc/34/99/41/179349941.db2.gz NWWBTAGKULXZGZ-MRXNPFEDSA-N 1 3 261.413 2.478 10 0 CEAEHO CCCN1CCC[C@@H]([NH2+]CCc2ccccn2)CC1 ZINC000086835416 179349942 /nfs/dbraw/zinc/34/99/42/179349942.db2.gz NWWBTAGKULXZGZ-MRXNPFEDSA-N 1 3 261.413 2.478 10 0 CEAEHO CCN1CCC[C@@H]([NH2+]CCCCn2ccnc2)CC1 ZINC000086843675 179353140 /nfs/dbraw/zinc/35/31/40/179353140.db2.gz RPRUEDGXKOCLKR-OAHLLOKOSA-N 1 3 264.417 2.127 10 0 CEAEHO CCCN1CCC[C@@](CN)([N@H+](C)C2CCCC2)CC1 ZINC000086846743 179354325 /nfs/dbraw/zinc/35/43/25/179354325.db2.gz JXYUUPBLNIZCQU-MRXNPFEDSA-N 1 3 267.461 2.454 10 0 CEAEHO CCCN1CCC[C@@](CN)([N@@H+](C)C2CCCC2)CC1 ZINC000086846743 179354327 /nfs/dbraw/zinc/35/43/27/179354327.db2.gz JXYUUPBLNIZCQU-MRXNPFEDSA-N 1 3 267.461 2.454 10 0 CEAEHO CCN1CCC[C@H]([NH2+]CCOCC(F)(F)F)CC1 ZINC000086845183 179354349 /nfs/dbraw/zinc/35/43/49/179354349.db2.gz YPNCPZMDDVRMJL-NSHDSACASA-N 1 3 268.323 2.029 10 0 CEAEHO CC[N@@H+]1CCC[C@H](NCCOCC(F)(F)F)CC1 ZINC000086845183 179354351 /nfs/dbraw/zinc/35/43/51/179354351.db2.gz YPNCPZMDDVRMJL-NSHDSACASA-N 1 3 268.323 2.029 10 0 CEAEHO CC[N@H+]1CCC[C@H](NCCOCC(F)(F)F)CC1 ZINC000086845183 179354353 /nfs/dbraw/zinc/35/43/53/179354353.db2.gz YPNCPZMDDVRMJL-NSHDSACASA-N 1 3 268.323 2.029 10 0 CEAEHO CC(C)N1CCC[C@](CN)([N@H+](C)C2CCCC2)CC1 ZINC000086846736 179355071 /nfs/dbraw/zinc/35/50/71/179355071.db2.gz KGLLWVMXSNYLMD-INIZCTEOSA-N 1 3 267.461 2.453 10 0 CEAEHO CC(C)N1CCC[C@](CN)([N@@H+](C)C2CCCC2)CC1 ZINC000086846736 179355073 /nfs/dbraw/zinc/35/50/73/179355073.db2.gz KGLLWVMXSNYLMD-INIZCTEOSA-N 1 3 267.461 2.453 10 0 CEAEHO CC[N@@H+]1CCC[C@H](N2CCNCc3ccccc32)CC1 ZINC000086850920 179358052 /nfs/dbraw/zinc/35/80/52/179358052.db2.gz TWOAXHZXWVXLHX-INIZCTEOSA-N 1 3 273.424 2.471 10 0 CEAEHO CC[N@H+]1CCC[C@H](N2CCNCc3ccccc32)CC1 ZINC000086850920 179358054 /nfs/dbraw/zinc/35/80/54/179358054.db2.gz TWOAXHZXWVXLHX-INIZCTEOSA-N 1 3 273.424 2.471 10 0 CEAEHO CCCN1CCC[C@@]([NH2+]C2CCCCC2)(C(N)=O)CC1 ZINC000086849638 179358584 /nfs/dbraw/zinc/35/85/84/179358584.db2.gz HJMLZXVNHVQEJE-INIZCTEOSA-N 1 3 281.444 2.029 10 0 CEAEHO CCC[C@@H]1CCC[C@@](CO)(N2CCC[NH2+]CC2)CC1 ZINC000086952100 179368797 /nfs/dbraw/zinc/36/87/97/179368797.db2.gz PROHLWCQSMQSRC-HZPDHXFCSA-N 1 3 268.445 2.393 10 0 CEAEHO CCCN[C@@H]1COC[C@@H]1C[NH+]1CCC(C)(C)CC1 ZINC000090566818 180006383 /nfs/dbraw/zinc/00/63/83/180006383.db2.gz YJQKZSJBQXXRKX-UONOGXRCSA-N 1 3 254.418 2.123 10 0 CEAEHO CCC[NH2+][C@@H]1COC[C@@H]1CN1CCC(C)(C)CC1 ZINC000090566818 180006384 /nfs/dbraw/zinc/00/63/84/180006384.db2.gz YJQKZSJBQXXRKX-UONOGXRCSA-N 1 3 254.418 2.123 10 0 CEAEHO CCCN[C@H]1COC[C@@H]1C[NH+]1CCc2ccccc2CC1 ZINC000090567114 180006862 /nfs/dbraw/zinc/00/68/62/180006862.db2.gz HWNPDSOPLSWZMX-ROUUACIJSA-N 1 3 288.435 2.102 10 0 CEAEHO CCC[NH2+][C@H]1COC[C@@H]1CN1CCc2ccccc2CC1 ZINC000090567114 180006864 /nfs/dbraw/zinc/00/68/64/180006864.db2.gz HWNPDSOPLSWZMX-ROUUACIJSA-N 1 3 288.435 2.102 10 0 CEAEHO C[C@H]([NH3+])C1CCN(C[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090878930 180053102 /nfs/dbraw/zinc/05/31/02/180053102.db2.gz OQWRKKYTBWOLKO-NHYWBVRUSA-N 1 3 278.371 2.188 10 0 CEAEHO Cn1ccc(CNCc2ccccc2C[NH+](C)C)c1 ZINC000091007230 180085665 /nfs/dbraw/zinc/08/56/65/180085665.db2.gz JDEXVLAATUGKHV-UHFFFAOYSA-N 1 3 257.381 2.377 10 0 CEAEHO CCC1(CC)CC[NH+](CC[C@H]2CNCCO2)CC1 ZINC000091314207 180133851 /nfs/dbraw/zinc/13/38/51/180133851.db2.gz VEVNCLQTDRPQFS-AWEZNQCLSA-N 1 3 254.418 2.267 10 0 CEAEHO c1ccc2c(c1)CCN(CC[C@H]1CSCC[NH2+]1)CC2 ZINC000091292339 180123646 /nfs/dbraw/zinc/12/36/46/180123646.db2.gz NGBIZDZDJYDTOJ-INIZCTEOSA-N 1 3 276.449 2.182 10 0 CEAEHO CC(C)NCc1occc1CN1CCC[C@H]([NH+](C)C)C1 ZINC000091449260 180157597 /nfs/dbraw/zinc/15/75/97/180157597.db2.gz BRBSLTDJRGVLOU-HNNXBMFYSA-N 1 3 279.428 2.304 10 0 CEAEHO C[C@@H]([NH3+])c1ccc(NC(=O)N2CCC[C@H](N(C)C)C2)cc1 ZINC000091450416 180158268 /nfs/dbraw/zinc/15/82/68/180158268.db2.gz ZDRHNSHCQJHHAO-DOMZBBRYSA-N 1 3 290.411 2.264 10 0 CEAEHO CCC[C@](C)(C[NH2+]CC)CN(C)CC1CC(O)C1 ZINC000091490136 180168820 /nfs/dbraw/zinc/16/88/20/180168820.db2.gz BIKBLOVXWLVHRE-YMAMQOFZSA-N 1 3 256.434 2.105 10 0 CEAEHO CCC[C@](C)(CNCC)C[N@H+](C)CC1CC(O)C1 ZINC000091490136 180168821 /nfs/dbraw/zinc/16/88/21/180168821.db2.gz BIKBLOVXWLVHRE-YMAMQOFZSA-N 1 3 256.434 2.105 10 0 CEAEHO CCC[C@](C)(CNCC)C[N@@H+](C)CC1CC(O)C1 ZINC000091490136 180168822 /nfs/dbraw/zinc/16/88/22/180168822.db2.gz BIKBLOVXWLVHRE-YMAMQOFZSA-N 1 3 256.434 2.105 10 0 CEAEHO CC(C)([C@H]([NH3+])Cc1cnccc1N)N1CCCCCC1 ZINC000091568001 180194946 /nfs/dbraw/zinc/19/49/46/180194946.db2.gz QOICDHSIIDSHQL-OAHLLOKOSA-N 1 3 276.428 2.188 10 0 CEAEHO CC[C@](C)([C@@H](Cc1cnccc1N)[NH2+]C)N1CCCC1 ZINC000091606166 180204644 /nfs/dbraw/zinc/20/46/44/180204644.db2.gz QTJUORBCXIPAEL-HZPDHXFCSA-N 1 3 276.428 2.059 10 0 CEAEHO CCC(CC)([C@@H](Cc1cnccc1N)[NH2+]C)N1CCCC1 ZINC000091635100 180210923 /nfs/dbraw/zinc/21/09/23/180210923.db2.gz WPIDZFAMPVLLOR-MRXNPFEDSA-N 1 3 290.455 2.449 10 0 CEAEHO CCC(CC)([C@@H](Cc1cnccc1N)NC)[NH+]1CCCC1 ZINC000091635100 180210924 /nfs/dbraw/zinc/21/09/24/180210924.db2.gz WPIDZFAMPVLLOR-MRXNPFEDSA-N 1 3 290.455 2.449 10 0 CEAEHO CCn1nc(C)cc1C[C@H](CC[NH+](CC)CC)NC ZINC000091716187 180232859 /nfs/dbraw/zinc/23/28/59/180232859.db2.gz FMMOWVJYPLLMHH-AWEZNQCLSA-N 1 3 266.433 2.074 10 0 CEAEHO CCN(CC)CC[C@@H](Cc1cc(C)nn1CC)[NH2+]C ZINC000091716187 180232860 /nfs/dbraw/zinc/23/28/60/180232860.db2.gz FMMOWVJYPLLMHH-AWEZNQCLSA-N 1 3 266.433 2.074 10 0 CEAEHO N[C@H](Cc1ccc(Cl)cc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720476 180236731 /nfs/dbraw/zinc/23/67/31/180236731.db2.gz AFRCRRSJVFDYBA-RBSFLKMASA-N 1 3 280.799 2.073 10 0 CEAEHO N[C@H](Cc1ccc(Cl)cc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720476 180236734 /nfs/dbraw/zinc/23/67/34/180236734.db2.gz AFRCRRSJVFDYBA-RBSFLKMASA-N 1 3 280.799 2.073 10 0 CEAEHO CCCN(CC(=O)OC(C)(C)C)C1CCC([NH3+])CC1 ZINC000091852286 180272672 /nfs/dbraw/zinc/27/26/72/180272672.db2.gz MSDPYAFLKYSTNS-UHFFFAOYSA-N 1 3 270.417 2.310 10 0 CEAEHO CCC[NH2+]C1CCC(N(C)[C@@H](C)C(=O)NCC(C)C)CC1 ZINC000091870203 180277120 /nfs/dbraw/zinc/27/71/20/180277120.db2.gz XRFZZUABRUMYIK-FHERZECASA-N 1 3 297.487 2.390 10 0 CEAEHO C[NH2+]C[C@H](C)C(=O)Nc1cccc(CN2CCCC2)c1 ZINC000092133277 180331343 /nfs/dbraw/zinc/33/13/43/180331343.db2.gz DZZPRSGVACHCII-ZDUSSCGKSA-N 1 3 275.396 2.076 10 0 CEAEHO CCN1CC[C@@H](C[NH2+]C[C@@H]2COc3ccccc32)C1 ZINC000092299692 180358811 /nfs/dbraw/zinc/35/88/11/180358811.db2.gz UNLOTBSAJNLPDU-UONOGXRCSA-N 1 3 260.381 2.094 10 0 CEAEHO CC[N@@H+]1CC[C@@H](CNC[C@@H]2COc3ccccc32)C1 ZINC000092299692 180358814 /nfs/dbraw/zinc/35/88/14/180358814.db2.gz UNLOTBSAJNLPDU-UONOGXRCSA-N 1 3 260.381 2.094 10 0 CEAEHO CC[N@H+]1CC[C@@H](CNC[C@@H]2COc3ccccc32)C1 ZINC000092299692 180358817 /nfs/dbraw/zinc/35/88/17/180358817.db2.gz UNLOTBSAJNLPDU-UONOGXRCSA-N 1 3 260.381 2.094 10 0 CEAEHO CCNc1ccnc(CN2CCC[C@H]2C[NH+](C)C)c1 ZINC000092419020 180382334 /nfs/dbraw/zinc/38/23/34/180382334.db2.gz DOTCQGCODZXULA-HNNXBMFYSA-N 1 3 262.401 2.039 10 0 CEAEHO CCOC(=O)C1CCN([C@@H]2C[C@@H](C)CC[C@@H]2C[NH3+])CC1 ZINC000109603650 186266341 /nfs/dbraw/zinc/26/63/41/186266341.db2.gz IDBJRDZZUWWQAJ-NWANDNLSSA-N 1 3 282.428 2.025 10 0 CEAEHO CCOC(=O)C1CC[NH+]([C@@H]2C[C@@H](C)CC[C@@H]2CN)CC1 ZINC000109603650 186266342 /nfs/dbraw/zinc/26/63/42/186266342.db2.gz IDBJRDZZUWWQAJ-NWANDNLSSA-N 1 3 282.428 2.025 10 0 CEAEHO Cc1ccccc1[C@H]([C@@H](C)[NH3+])N1CCN(C)C(C)(C)C1 ZINC000110704910 186313901 /nfs/dbraw/zinc/31/39/01/186313901.db2.gz WPZXZWVNKPMRGH-ZBFHGGJFSA-N 1 3 275.440 2.409 10 0 CEAEHO Cc1cccc([C@@H](C[NH3+])N2CCN(C)C(C)(C)C2)c1C ZINC000110711795 186315304 /nfs/dbraw/zinc/31/53/04/186315304.db2.gz IXQVXKGRMCJFCA-MRXNPFEDSA-N 1 3 275.440 2.329 10 0 CEAEHO CC[C@H]1CN([C@@H]2CCCCCC[C@@H]2[NH3+])CCN1C ZINC000110715474 186315819 /nfs/dbraw/zinc/31/58/19/186315819.db2.gz SDTRWNKZAFAXIY-SOUVJXGZSA-N 1 3 253.434 2.063 10 0 CEAEHO Cc1ccc([C@H]([NH3+])CN2CCN(C)C(C)(C)C2)cc1 ZINC000110716471 186316383 /nfs/dbraw/zinc/31/63/83/186316383.db2.gz HNAMYZZSSGMDLC-OAHLLOKOSA-N 1 3 261.413 2.021 10 0 CEAEHO CC[C@H]1CN([C@@H](C[NH3+])c2ccc(C)c(C)c2)CCN1C ZINC000110710010 186316469 /nfs/dbraw/zinc/31/64/69/186316469.db2.gz KIUKDQOPDLWYQN-IRXDYDNUSA-N 1 3 275.440 2.329 10 0 CEAEHO CCN1CCN(Cc2ccccc2C[NH2+]C2CC2)C[C@@H]1C ZINC000110753491 186321522 /nfs/dbraw/zinc/32/15/22/186321522.db2.gz JFACFCIEIXPSLY-HNNXBMFYSA-N 1 3 287.451 2.465 10 0 CEAEHO CC(C)(C)N1CCN([C@H](C[NH3+])c2cccc(F)c2F)CC1 ZINC000111039512 186347009 /nfs/dbraw/zinc/34/70/09/186347009.db2.gz OYXJPPJJUCDQJY-CQSZACIVSA-N 1 3 297.393 2.381 10 0 CEAEHO CCOCCN(CC)C[C@@H]1C[C@@H](CC)CC[C@@H]1[NH3+] ZINC000111123083 186355002 /nfs/dbraw/zinc/35/50/02/186355002.db2.gz IVOWTGQAMYGSIQ-KKUMJFAQSA-N 1 3 256.434 2.498 10 0 CEAEHO CN(C)CCN(C)[C@@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000111132874 186356592 /nfs/dbraw/zinc/35/65/92/186356592.db2.gz SAWHVYBZIFLHAR-ZDUSSCGKSA-N 1 3 289.345 2.199 10 0 CEAEHO CN(C)CCN(C)[C@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000111133091 186356672 /nfs/dbraw/zinc/35/66/72/186356672.db2.gz YURVYJIIWAXRID-GFCCVEGCSA-N 1 3 290.238 2.487 10 0 CEAEHO C[C@@H]1CC(C)(C)C[C@](C[NH3+])(N(C)CCN(C)C)C1 ZINC000111132454 186356737 /nfs/dbraw/zinc/35/67/37/186356737.db2.gz BIOCJZXENDPPHT-UKRRQHHQSA-N 1 3 255.450 2.024 10 0 CEAEHO C[C@@H]1CC(C)(C)C[C@](CN)([N@H+](C)CCN(C)C)C1 ZINC000111132454 186356738 /nfs/dbraw/zinc/35/67/38/186356738.db2.gz BIOCJZXENDPPHT-UKRRQHHQSA-N 1 3 255.450 2.024 10 0 CEAEHO C[C@@H]1CC(C)(C)C[C@](CN)([N@@H+](C)CCN(C)C)C1 ZINC000111132454 186356740 /nfs/dbraw/zinc/35/67/40/186356740.db2.gz BIOCJZXENDPPHT-UKRRQHHQSA-N 1 3 255.450 2.024 10 0 CEAEHO Cc1ccc([C@@H](N)CN(C)CCC[NH+](C)C)cc1C ZINC000111136404 186357130 /nfs/dbraw/zinc/35/71/30/186357130.db2.gz SRAOCVNZNQHEQU-INIZCTEOSA-N 1 3 263.429 2.187 10 0 CEAEHO CCC[NH2+][C@H]1CCCCC[C@H]1N(C)CCN(C)C ZINC000111135517 186357457 /nfs/dbraw/zinc/35/74/57/186357457.db2.gz ALEFNYWLQSJRSB-LSDHHAIUSA-N 1 3 255.450 2.181 10 0 CEAEHO CC[NH2+][C@H](CN(C)CCN(C)C)c1ccccc1C ZINC000111134292 186357500 /nfs/dbraw/zinc/35/75/00/186357500.db2.gz URITXJLZFOGGTO-MRXNPFEDSA-N 1 3 263.429 2.139 10 0 CEAEHO CCc1ccc([C@@H]([NH3+])[C@@H](C)N(C)CCN(C)C)cc1 ZINC000111134374 186357588 /nfs/dbraw/zinc/35/75/88/186357588.db2.gz DZBYADCNJGHOFX-CJNGLKHVSA-N 1 3 263.429 2.131 10 0 CEAEHO CCC[NH2+]Cc1cnc(N(C)CCN(C)C)c(Cl)c1 ZINC000111148928 186358397 /nfs/dbraw/zinc/35/83/97/186358397.db2.gz DZDHOTARKLNBML-UHFFFAOYSA-N 1 3 284.835 2.232 10 0 CEAEHO Cc1cc(C)c(CNC2CC2)c(N(C)CCC[NH+](C)C)n1 ZINC000111149206 186358591 /nfs/dbraw/zinc/35/85/91/186358591.db2.gz ANIMCNDQXPFSLX-UHFFFAOYSA-N 1 3 290.455 2.338 10 0 CEAEHO CC(C)NCc1nc(C(C)C)ncc1N(C)CC[NH+](C)C ZINC000111149104 186358751 /nfs/dbraw/zinc/35/87/51/186358751.db2.gz DOTWUGKAPAPVJC-UHFFFAOYSA-N 1 3 293.459 2.096 10 0 CEAEHO Cc1oc(CN(C)CCC[NH+](C)C)cc1CNC1CC1 ZINC000111150278 186359695 /nfs/dbraw/zinc/35/96/95/186359695.db2.gz POEAUNDMUOQWFT-UHFFFAOYSA-N 1 3 279.428 2.224 10 0 CEAEHO CC[NH2+]C[C@@]1(CN2CCCC[C@@H]2C)CCCOC1 ZINC000111323699 186397845 /nfs/dbraw/zinc/39/78/45/186397845.db2.gz DSIXKCXSQODEOK-LSDHHAIUSA-N 1 3 254.418 2.267 10 0 CEAEHO CCNC[C@@]1(C[N@@H+]2CCCC[C@@H]2C)CCCOC1 ZINC000111323699 186397847 /nfs/dbraw/zinc/39/78/47/186397847.db2.gz DSIXKCXSQODEOK-LSDHHAIUSA-N 1 3 254.418 2.267 10 0 CEAEHO CCNC[C@@]1(C[N@H+]2CCCC[C@@H]2C)CCCOC1 ZINC000111323699 186397850 /nfs/dbraw/zinc/39/78/50/186397850.db2.gz DSIXKCXSQODEOK-LSDHHAIUSA-N 1 3 254.418 2.267 10 0 CEAEHO CNC[C@]1(C[N@H+](CC(C)C)C2CC2)CCCOC1 ZINC000111326872 186398709 /nfs/dbraw/zinc/39/87/09/186398709.db2.gz SUSQIBFDBYMLGB-HNNXBMFYSA-N 1 3 254.418 2.123 10 0 CEAEHO CNC[C@]1(C[N@@H+](CC(C)C)C2CC2)CCCOC1 ZINC000111326872 186398710 /nfs/dbraw/zinc/39/87/10/186398710.db2.gz SUSQIBFDBYMLGB-HNNXBMFYSA-N 1 3 254.418 2.123 10 0 CEAEHO C[NH2+]C[C@]1(CN(CC(C)C)C2CC2)CCCOC1 ZINC000111326872 186398711 /nfs/dbraw/zinc/39/87/11/186398711.db2.gz SUSQIBFDBYMLGB-HNNXBMFYSA-N 1 3 254.418 2.123 10 0 CEAEHO C[C@H]([NH2+]CCc1ccc(F)cc1)[C@@H]1CCCNC1 ZINC000578303814 366473281 /nfs/dbraw/zinc/47/32/81/366473281.db2.gz ULPRXLMFFZZMMN-GXTWGEPZSA-N 1 3 250.361 2.346 10 0 CEAEHO C[C@H](NCCc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000578303814 366473286 /nfs/dbraw/zinc/47/32/86/366473286.db2.gz ULPRXLMFFZZMMN-GXTWGEPZSA-N 1 3 250.361 2.346 10 0 CEAEHO C[C@@H]([NH2+]CCc1ccc(F)cc1)[C@@H]1CCCNC1 ZINC000578303817 366473304 /nfs/dbraw/zinc/47/33/04/366473304.db2.gz ULPRXLMFFZZMMN-TZMCWYRMSA-N 1 3 250.361 2.346 10 0 CEAEHO C[C@@H](NCCc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000578303817 366473309 /nfs/dbraw/zinc/47/33/09/366473309.db2.gz ULPRXLMFFZZMMN-TZMCWYRMSA-N 1 3 250.361 2.346 10 0 CEAEHO C[C@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1CN ZINC000631838442 367579296 /nfs/dbraw/zinc/57/92/96/367579296.db2.gz OGVOTMLYELTKAJ-DZGCQCFKSA-N 1 3 254.418 2.110 10 0 CEAEHO C[C@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1CN ZINC000631838442 367579299 /nfs/dbraw/zinc/57/92/99/367579299.db2.gz OGVOTMLYELTKAJ-DZGCQCFKSA-N 1 3 254.418 2.110 10 0 CEAEHO CC[C@H](O)C[NH+]1CCN(c2ccnc3ccc(C)cc32)CC1 ZINC000185718707 368848412 /nfs/dbraw/zinc/84/84/12/368848412.db2.gz YJMAYIOVXYWBDX-HNNXBMFYSA-N 1 3 299.418 2.436 10 0 CEAEHO c1ccc(CN2CCCCC[C@H](N[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000635023067 369059037 /nfs/dbraw/zinc/05/90/37/369059037.db2.gz RLMADAWTROWQGQ-MSOLQXFVSA-N 1 3 287.451 2.383 10 0 CEAEHO CCC[C@@]1(COC)CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000261801890 371735522 /nfs/dbraw/zinc/73/55/22/371735522.db2.gz GYHIHOJCWNPMMY-GJZGRUSLSA-N 1 3 254.418 2.267 10 0 CEAEHO CCC[C@@]1(COC)CCC[N@H+]1C[C@H]1CCCNC1 ZINC000261801890 371735527 /nfs/dbraw/zinc/73/55/27/371735527.db2.gz GYHIHOJCWNPMMY-GJZGRUSLSA-N 1 3 254.418 2.267 10 0 CEAEHO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCCNCC2)CCO1 ZINC000423021438 376937393 /nfs/dbraw/zinc/93/73/93/376937393.db2.gz FBWUBVFOSSZQTN-RDBSUJKOSA-N 1 3 254.418 2.312 10 0 CEAEHO Cc1cccnc1CCC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000566088898 377721644 /nfs/dbraw/zinc/72/16/44/377721644.db2.gz JSIOXWFWBBWNNB-HUUCEWRRSA-N 1 3 261.413 2.300 10 0 CEAEHO CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CNC[C@H]2O)CC1 ZINC000263209063 154033930 /nfs/dbraw/zinc/03/39/30/154033930.db2.gz KBDHEIIQLWDSMS-LJISPDSOSA-N 1 3 268.445 2.151 10 0 CEAEHO CC(C)(C)[C@@H]1CCC[C@H](NC[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263209063 154033932 /nfs/dbraw/zinc/03/39/32/154033932.db2.gz KBDHEIIQLWDSMS-LJISPDSOSA-N 1 3 268.445 2.151 10 0 CEAEHO NC[C@@H](c1ccco1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000020225287 171087086 /nfs/dbraw/zinc/08/70/86/171087086.db2.gz LTKJAIYUCVJFBS-HNNXBMFYSA-N 1 3 277.412 2.087 10 0 CEAEHO Cn1cccc1CNCc1ccccc1C[NH+](C)C ZINC000020360562 171158722 /nfs/dbraw/zinc/15/87/22/171158722.db2.gz IDSSAJHFPKNVNE-UHFFFAOYSA-N 1 3 257.381 2.377 10 0 CEAEHO Cc1ccc(C)c(OC[C@@H](CC[NH3+])N2CCCC2)c1 ZINC000020402071 171182325 /nfs/dbraw/zinc/18/23/25/171182325.db2.gz NGKPDNIZHZSKGR-OAHLLOKOSA-N 1 3 262.397 2.495 10 0 CEAEHO CSc1ccc([C@H](C[NH3+])N2CCCN(C)CC2)cc1 ZINC000020523756 171237088 /nfs/dbraw/zinc/23/70/88/171237088.db2.gz JKTKWTSAJLOUFR-HNNXBMFYSA-N 1 3 279.453 2.046 10 0 CEAEHO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1CN ZINC000022153138 171360206 /nfs/dbraw/zinc/36/02/06/171360206.db2.gz NTTPRJIGCKIAOX-CYBMUJFWSA-N 1 3 275.396 2.348 10 0 CEAEHO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1CN ZINC000022153138 171360209 /nfs/dbraw/zinc/36/02/09/171360209.db2.gz NTTPRJIGCKIAOX-CYBMUJFWSA-N 1 3 275.396 2.348 10 0 CEAEHO CCOC1CC[NH+](CCCOc2ccccc2CN)CC1 ZINC000040678469 174374726 /nfs/dbraw/zinc/37/47/26/174374726.db2.gz LSNITRQXCHRADC-UHFFFAOYSA-N 1 3 292.423 2.415 10 0 CEAEHO CCO[C@@H]1CN(c2ccnc3ccccc32)C[C@H]1C[NH3+] ZINC000405390386 414793270 /nfs/dbraw/zinc/79/32/70/414793270.db2.gz REYCJFNSLLBNKN-MLGOLLRUSA-N 1 3 271.364 2.035 10 0 CEAEHO CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1N1CCCN(C)CC1 ZINC000043818461 175112795 /nfs/dbraw/zinc/11/27/95/175112795.db2.gz AVGZFMWQRXJICZ-ZWKOTPCHSA-N 1 3 287.451 2.290 10 0 CEAEHO CC[NH2+][C@@H]1CCCCC[C@H]1N1CCN(C(C)C)CC1 ZINC000043897064 175119822 /nfs/dbraw/zinc/11/98/22/175119822.db2.gz SQQQYMDFPPJUKM-HZPDHXFCSA-N 1 3 267.461 2.323 10 0 CEAEHO C[NH2+][C@@H]1c2ccccc2C[C@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965504 175127078 /nfs/dbraw/zinc/12/70/78/175127078.db2.gz ANCYSIYHICDSMD-IAGOWNOFSA-N 1 3 287.451 2.288 10 0 CEAEHO CC[NH2+][C@@H](CN1CCN(CC2CC2)CC1)c1ccccc1 ZINC000043967916 175128815 /nfs/dbraw/zinc/12/88/15/175128815.db2.gz MYKGHMNXPIORHC-SFHVURJKSA-N 1 3 287.451 2.365 10 0 CEAEHO CC[NH2+][C@@H](C)c1ccc(NC(=O)NC[C@@H](C)N(C)C)cc1 ZINC000045113973 175311115 /nfs/dbraw/zinc/31/11/15/175311115.db2.gz CQHJEGSYLSVBRN-OLZOCXBDSA-N 1 3 292.427 2.429 10 0 CEAEHO CCn1nc(C)c([C@H](C)N2CCC(C[NH3+])CC2)c1C ZINC000045173299 175322309 /nfs/dbraw/zinc/32/23/09/175322309.db2.gz KKOCFHJYPCCARC-LBPRGKRZSA-N 1 3 264.417 2.252 10 0 CEAEHO CCN[C@](C)(CCCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379616 175368037 /nfs/dbraw/zinc/36/80/37/175368037.db2.gz IBLIUIHYCZUBQN-IJEWVQPXSA-N 1 3 283.460 2.273 10 0 CEAEHO CCN[C@](C)(CCCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379616 175368038 /nfs/dbraw/zinc/36/80/38/175368038.db2.gz IBLIUIHYCZUBQN-IJEWVQPXSA-N 1 3 283.460 2.273 10 0 CEAEHO C[N@H+](CCCC[C@@](C)(N)C(N)=O)C1CCCCCC1 ZINC000045419133 175377442 /nfs/dbraw/zinc/37/74/42/175377442.db2.gz XDEPHZBSUZERJH-OAHLLOKOSA-N 1 3 269.433 2.014 10 0 CEAEHO C[N@@H+](CCCC[C@@](C)(N)C(N)=O)C1CCCCCC1 ZINC000045419133 175377444 /nfs/dbraw/zinc/37/74/44/175377444.db2.gz XDEPHZBSUZERJH-OAHLLOKOSA-N 1 3 269.433 2.014 10 0 CEAEHO CC[C@@H]1CCC[C@@](CN)([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000071124608 176035409 /nfs/dbraw/zinc/03/54/09/176035409.db2.gz AQRSEHPGXXGZDG-BZUAXINKSA-N 1 3 267.461 2.310 10 0 CEAEHO CC[C@@H]1CCC[C@@](CN)([N@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000071124608 176035410 /nfs/dbraw/zinc/03/54/10/176035410.db2.gz AQRSEHPGXXGZDG-BZUAXINKSA-N 1 3 267.461 2.310 10 0 CEAEHO Cc1ccc([C@@H](C)N(C)CCN2CC[NH2+]CC2)cc1C ZINC000071148886 176044680 /nfs/dbraw/zinc/04/46/80/176044680.db2.gz USVPNEVOIKFTFP-MRXNPFEDSA-N 1 3 275.440 2.201 10 0 CEAEHO CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](CN)c1ccccc1Cl ZINC000071188027 176061446 /nfs/dbraw/zinc/06/14/46/176061446.db2.gz JOFHEYFVFOKTLY-DOMZBBRYSA-N 1 3 281.831 2.223 10 0 CEAEHO CN(C[C@@H]1CC[N@@H+](C)C1)[C@@H](CN)c1ccccc1Cl ZINC000071188027 176061448 /nfs/dbraw/zinc/06/14/48/176061448.db2.gz JOFHEYFVFOKTLY-DOMZBBRYSA-N 1 3 281.831 2.223 10 0 CEAEHO Cc1cc(C)c([C@@H](N)CN(C)C[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC000071188777 176063802 /nfs/dbraw/zinc/06/38/02/176063802.db2.gz QOCNCRCPMFSOKJ-SJORKVTESA-N 1 3 289.467 2.495 10 0 CEAEHO Cc1cc(C)c([C@@H](N)CN(C)C[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC000071188777 176063803 /nfs/dbraw/zinc/06/38/03/176063803.db2.gz QOCNCRCPMFSOKJ-SJORKVTESA-N 1 3 289.467 2.495 10 0 CEAEHO Cc1ccc([C@@H](O)C[N@@H+](C)C[C@@H]2CCN(C)C2)cc1C ZINC000071190602 176066399 /nfs/dbraw/zinc/06/63/99/176066399.db2.gz PBAUUVNWGDOLFW-WBVHZDCISA-N 1 3 276.424 2.220 10 0 CEAEHO Cc1ccc([C@@H](O)C[N@H+](C)C[C@@H]2CCN(C)C2)cc1C ZINC000071190602 176066400 /nfs/dbraw/zinc/06/64/00/176066400.db2.gz PBAUUVNWGDOLFW-WBVHZDCISA-N 1 3 276.424 2.220 10 0 CEAEHO Cc1ccc([C@H](O)[C@@H](C)N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071190633 176068758 /nfs/dbraw/zinc/06/87/58/176068758.db2.gz JCXQXWZLTWSLCL-BFYDXBDKSA-N 1 3 276.424 2.300 10 0 CEAEHO Cc1ccc([C@H](O)[C@@H](C)N(C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071190633 176068759 /nfs/dbraw/zinc/06/87/59/176068759.db2.gz JCXQXWZLTWSLCL-BFYDXBDKSA-N 1 3 276.424 2.300 10 0 CEAEHO CCC[NH2+][C@H]1CCN([C@@H](CC(C)C)CN(C)C)C1 ZINC000071200588 176077674 /nfs/dbraw/zinc/07/76/74/176077674.db2.gz YURUTTQXJSXBLW-GJZGRUSLSA-N 1 3 255.450 2.037 10 0 CEAEHO CC(C)C[C@H](CN(C)C)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000071200584 176077704 /nfs/dbraw/zinc/07/77/04/176077704.db2.gz LSENQFXLBVHFHD-JKSUJKDBSA-N 1 3 269.477 2.425 10 0 CEAEHO C[C@@H]1C[C@]2(CN)C[N@H+](Cc3ccccc3)CC[C@@H]2O1 ZINC000536961253 330384324 /nfs/dbraw/zinc/38/43/24/330384324.db2.gz WPMADSWDBYDZNZ-KBMXLJTQSA-N 1 3 260.381 2.015 10 0 CEAEHO C[C@@H]1C[C@]2(CN)C[N@@H+](Cc3ccccc3)CC[C@@H]2O1 ZINC000536961253 330384325 /nfs/dbraw/zinc/38/43/25/330384325.db2.gz WPMADSWDBYDZNZ-KBMXLJTQSA-N 1 3 260.381 2.015 10 0 CEAEHO CC(C)CNCc1occc1COCC[NH+](C)C ZINC000052669916 519749303 /nfs/dbraw/zinc/74/93/03/519749303.db2.gz PQAFWLRJNVRLHV-UHFFFAOYSA-N 1 3 254.374 2.103 10 0 CEAEHO CC(C)[C@H](C[NH2+]C(C)(C)C)N1CCN(CC2CC2)CC1 ZINC000052372385 519815919 /nfs/dbraw/zinc/81/59/19/519815919.db2.gz ZKDNJXUMHKKMQZ-INIZCTEOSA-N 1 3 281.488 2.427 10 0 CEAEHO CCCN1CCN(c2cc(Cl)ccc2C(N)=[NH2+])CC1 ZINC000062788769 519860290 /nfs/dbraw/zinc/86/02/90/519860290.db2.gz KQSUHPVULBBMHW-UHFFFAOYSA-N 1 3 280.803 2.156 10 0 CEAEHO CC[NH2+]CC1(CN(C)CC(C)(C)C)CCOCC1 ZINC000052197536 519911488 /nfs/dbraw/zinc/91/14/88/519911488.db2.gz ZNJFAGVAUXRIBC-UHFFFAOYSA-N 1 3 256.434 2.371 10 0 CEAEHO CCC[NH2+]CCCCN1CCN(CC(C)C)CC1 ZINC000055075969 519912594 /nfs/dbraw/zinc/91/25/94/519912594.db2.gz ZZNHBPHSAIVCBJ-UHFFFAOYSA-N 1 3 255.450 2.040 10 0 CEAEHO CCC[NH2+]C[C@@H](CC)N1CCN([C@@H](C)CC)CC1 ZINC000055074591 519921282 /nfs/dbraw/zinc/92/12/82/519921282.db2.gz BMVLWHBCWUFUKJ-LSDHHAIUSA-N 1 3 255.450 2.181 10 0 CEAEHO CC[NH2+]Cc1ccoc1CN(CC)[C@H](C)COC ZINC000052504761 520009766 /nfs/dbraw/zinc/00/97/66/520009766.db2.gz GJNXEPXMENTPGP-GFCCVEGCSA-N 1 3 254.374 2.246 10 0 CEAEHO CC[NH2+]Cc1sc(N(C)[C@H]2CCCN(C)C2)nc1C ZINC000054998284 520032903 /nfs/dbraw/zinc/03/29/03/520032903.db2.gz OVAUUZICYITNKZ-LBPRGKRZSA-N 1 3 282.457 2.091 10 0 CEAEHO CCC[NH2+][C@H](C)[C@@H](C)N1CCN([C@@H](C)CC)CC1 ZINC000055066159 520063910 /nfs/dbraw/zinc/06/39/10/520063910.db2.gz GDLUDOWBLSIWTP-RRFJBIMHSA-N 1 3 255.450 2.179 10 0 CEAEHO CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1N1CCCN(C)CC1 ZINC000054554793 520122172 /nfs/dbraw/zinc/12/21/72/520122172.db2.gz NUUAFNNKODKQGB-BBWFWOEESA-N 1 3 281.488 2.427 10 0 CEAEHO CC[NH2+][C@H](C)CC(=O)Nc1ccccc1CN(C)C ZINC000061270013 520172149 /nfs/dbraw/zinc/17/21/49/520172149.db2.gz OIZPYGVZMGRNAK-GFCCVEGCSA-N 1 3 263.385 2.075 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](CC)C[NH2+]CC(C)C)CC1 ZINC000055074664 522132617 /nfs/dbraw/zinc/13/26/17/522132617.db2.gz ZVWDQKRIMWQRQJ-HZPDHXFCSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000055065570 522132730 /nfs/dbraw/zinc/13/27/30/522132730.db2.gz GIHIYDUCDUPXFH-PMPSAXMXSA-N 1 3 267.461 2.453 10 0 CEAEHO COC[C@@H](C)N(C)Cc1ccccc1C[NH2+]C1CC1 ZINC000052511958 522219449 /nfs/dbraw/zinc/21/94/49/522219449.db2.gz OZNVZRSFSSBJLA-CYBMUJFWSA-N 1 3 262.397 2.405 10 0 CEAEHO CC(C)C[C@@H]1CSC(N[C@H]2CC[N@@H+]3CCC[C@H]23)=N1 ZINC000049569652 519277040 /nfs/dbraw/zinc/27/70/40/519277040.db2.gz VNEBCDSTYRMKMR-FRRDWIJNSA-N 1 3 267.442 2.330 10 0 CEAEHO CC(C)C[C@@H]1CSC(N[C@H]2CC[N@H+]3CCC[C@H]23)=N1 ZINC000049569652 519277043 /nfs/dbraw/zinc/27/70/43/519277043.db2.gz VNEBCDSTYRMKMR-FRRDWIJNSA-N 1 3 267.442 2.330 10 0 CEAEHO CC(C)[NH2+]CCCCCN1CCO[C@@H]2CCC[C@@H]21 ZINC000052540314 519720533 /nfs/dbraw/zinc/72/05/33/519720533.db2.gz RUPKBFZZPBALFU-LSDHHAIUSA-N 1 3 254.418 2.408 10 0 CEAEHO CC(C)CN1CCN([C@@H](c2ccc(F)cc2)[C@H](C)[NH3+])CC1 ZINC000055077388 519727438 /nfs/dbraw/zinc/72/74/38/519727438.db2.gz GABWBSMHRGWAIS-WMLDXEAASA-N 1 3 293.430 2.488 10 0 CEAEHO CC(C)[NH2+]Cc1ccoc1CN(C)C1CCOCC1 ZINC000052481150 519728049 /nfs/dbraw/zinc/72/80/49/519728049.db2.gz AXLSTIWJKWGEBZ-UHFFFAOYSA-N 1 3 266.385 2.388 10 0 CEAEHO CC(C)CN1CCN([C@@]2(C[NH3+])C[C@H](C)CC[C@@H]2C)CC1 ZINC000068629274 519728124 /nfs/dbraw/zinc/72/81/24/519728124.db2.gz UAWPOLMDVXZGQX-IXDOHACOSA-N 1 3 281.488 2.414 10 0 CEAEHO CC(C)CN1CCN([C@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000055077564 519728408 /nfs/dbraw/zinc/72/84/08/519728408.db2.gz CBBJEKZAXYQOER-CVEARBPZSA-N 1 3 267.461 2.168 10 0 CEAEHO CC(C)C[NH2+]CC1(CN(C)CC2CC2)CCOCC1 ZINC000052182157 519742827 /nfs/dbraw/zinc/74/28/27/519742827.db2.gz RRGULUDZSQMGHI-UHFFFAOYSA-N 1 3 268.445 2.371 10 0 CEAEHO CC(C)C[NH2+]C[C@@H](OC1CCN(C)CC1)C(C)C ZINC000052596465 519744938 /nfs/dbraw/zinc/74/49/38/519744938.db2.gz AVNFMRPCYPNTTR-OAHLLOKOSA-N 1 3 256.434 2.367 10 0 CEAEHO CC(C)C[NH2+]Cc1occc1CN1CCCN(C)CC1 ZINC000052424417 519749467 /nfs/dbraw/zinc/74/94/67/519749467.db2.gz CDSIYHONFDJZOK-UHFFFAOYSA-N 1 3 279.428 2.163 10 0 CEAEHO CCC[NH2+]CCC[C@@H](C)N1CCN(CCC)CC1 ZINC000052421966 519913011 /nfs/dbraw/zinc/91/30/11/519913011.db2.gz VNNJOHTXLMLAIU-OAHLLOKOSA-N 1 3 255.450 2.182 10 0 CEAEHO CCNCc1cc(N2CC[C@H]([NH+](CC)CC)C2)ccn1 ZINC000062971329 519992395 /nfs/dbraw/zinc/99/23/95/519992395.db2.gz JHUAJTYPOSRGMS-INIZCTEOSA-N 1 3 276.428 2.112 10 0 CEAEHO CCNCc1ccc(COCC[NH+](CC)CC)o1 ZINC000052671755 519997627 /nfs/dbraw/zinc/99/76/27/519997627.db2.gz VPRWKQMFXXBSIY-UHFFFAOYSA-N 1 3 254.374 2.248 10 0 CEAEHO CCC[NH2+][C@H](C)[C@H]1CCCN(C2CCOCC2)C1 ZINC000069288300 520064117 /nfs/dbraw/zinc/06/41/17/520064117.db2.gz IREFTHCVDMTSSN-KGLIPLIRSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[NH2+][C@H]1CCCC[C@@H]1CN1CCN(CC(C)C)CC1 ZINC000055082094 520214660 /nfs/dbraw/zinc/21/46/60/520214660.db2.gz UFIZGRBEULWXLN-SJORKVTESA-N 1 3 281.488 2.428 10 0 CEAEHO CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1CN(CC)CCO ZINC000054560040 520219155 /nfs/dbraw/zinc/21/91/55/520219155.db2.gz FRKYYOAGLCQNMX-XHSDSOJGSA-N 1 3 270.461 2.351 10 0 CEAEHO CCC[C@@H](C)[N@H+](C)CCn1cc(CNCC(C)C)nn1 ZINC000052480670 520645438 /nfs/dbraw/zinc/64/54/38/520645438.db2.gz DBGXPKACIYTCJZ-CQSZACIVSA-N 1 3 281.448 2.144 10 0 CEAEHO CCC[C@@H](C)[N@@H+](C)CCn1cc(CNCC(C)C)nn1 ZINC000052480670 520645445 /nfs/dbraw/zinc/64/54/45/520645445.db2.gz DBGXPKACIYTCJZ-CQSZACIVSA-N 1 3 281.448 2.144 10 0 CEAEHO CCN(Cc1cc(C[NH2+]C)oc1C)[C@H](C)COC ZINC000052505051 521290678 /nfs/dbraw/zinc/29/06/78/521290678.db2.gz WXNIIOYZVNIAJK-LLVKDONJSA-N 1 3 254.374 2.164 10 0 CEAEHO CCN(Cc1occc1C[NH2+]C1CC1)[C@H](C)COC ZINC000052504767 521470836 /nfs/dbraw/zinc/47/08/36/521470836.db2.gz KAZIKTISGBSYEC-GFCCVEGCSA-N 1 3 266.385 2.388 10 0 CEAEHO CCCc1nc(N2CCC[C@H]2CN(C)C)sc1C[NH2+]C ZINC000061655614 521533208 /nfs/dbraw/zinc/53/32/08/521533208.db2.gz HUHUWBSVDMUQOW-LBPRGKRZSA-N 1 3 296.484 2.345 10 0 CEAEHO CCC(CC)N(CCOC)[C@]1(C[NH3+])CCCSC1 ZINC000061590243 521560847 /nfs/dbraw/zinc/56/08/47/521560847.db2.gz KXYFXKNSLASOCE-AWEZNQCLSA-N 1 3 274.474 2.348 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](C)CC[NH2+]C(C)C)CC1 ZINC000055074857 522129689 /nfs/dbraw/zinc/12/96/89/522129689.db2.gz COSMQQBCHYXYEI-CABCVRRESA-N 1 3 255.450 2.179 10 0 CEAEHO COCc1cccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261584686 523043118 /nfs/dbraw/zinc/04/31/18/523043118.db2.gz HXTSQLUYRXUONQ-ARFHVFGLSA-N 1 3 260.381 2.002 10 0 CEAEHO CC[C@@H]1CCC[N@@H+]1CC1(CNC2CC2)CCOCC1 ZINC000052180414 523265612 /nfs/dbraw/zinc/26/56/12/523265612.db2.gz QVKKQLGXMFUHHK-OAHLLOKOSA-N 1 3 266.429 2.410 10 0 CEAEHO CC[C@@H]1CCC[N@H+]1CC1(CNC2CC2)CCOCC1 ZINC000052180414 523265620 /nfs/dbraw/zinc/26/56/20/523265620.db2.gz QVKKQLGXMFUHHK-OAHLLOKOSA-N 1 3 266.429 2.410 10 0 CEAEHO COCCN(C)CCOc1ccc(C[NH2+]C(C)C)cc1 ZINC000052572860 523615480 /nfs/dbraw/zinc/61/54/80/523615480.db2.gz UMHFRBDIIKMDQT-UHFFFAOYSA-N 1 3 280.412 2.142 10 0 CEAEHO COCCN(C)Cc1ccc(C[NH2+]C(C)C)cc1 ZINC000052572918 523624417 /nfs/dbraw/zinc/62/44/17/523624417.db2.gz VPODHZLTBXXAOX-UHFFFAOYSA-N 1 3 250.386 2.263 10 0 CEAEHO CC[C@H](C)N1CCN(CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000055083593 523952217 /nfs/dbraw/zinc/95/22/17/523952217.db2.gz YNQSGYYAQZYHMM-JKSUJKDBSA-N 1 3 267.461 2.325 10 0 CEAEHO COc1ccc(CCN2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1OC ZINC000054627567 523952547 /nfs/dbraw/zinc/95/25/47/523952547.db2.gz AUBIHKFKEDSPRK-GOOCMWNKSA-N 1 3 290.407 2.200 10 0 CEAEHO CC[C@H](C)N1CCN(CCC[NH2+]CC(C)C)CC1 ZINC000055073709 523953200 /nfs/dbraw/zinc/95/32/00/523953200.db2.gz OXQQWPNKNUNZQY-HNNXBMFYSA-N 1 3 255.450 2.038 10 0 CEAEHO C[NH+](C)C1CCN([C@H](CN)c2cc3ccccc3o2)CC1 ZINC000068811255 524040895 /nfs/dbraw/zinc/04/08/95/524040895.db2.gz IMUFXTXTCVWHPB-OAHLLOKOSA-N 1 3 287.407 2.459 10 0 CEAEHO C[C@@H](C1CC1)[N@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052181786 524320454 /nfs/dbraw/zinc/32/04/54/524320454.db2.gz BYTYCCLOTIFYAT-ZDUSSCGKSA-N 1 3 266.429 2.266 10 0 CEAEHO C[C@@H](C1CC1)[N@@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052181786 524320462 /nfs/dbraw/zinc/32/04/62/524320462.db2.gz BYTYCCLOTIFYAT-ZDUSSCGKSA-N 1 3 266.429 2.266 10 0 CEAEHO Cc1ccccc1[C@H](C[NH3+])N1CCC[C@@H]1CCCO ZINC000052757655 525424176 /nfs/dbraw/zinc/42/41/76/525424176.db2.gz LBEVIMJFWNFSKT-ZBFHGGJFSA-N 1 3 262.397 2.232 10 0 CEAEHO COc1cccc(N2CCN(C3CCC([NH3+])CC3)CC2)c1 ZINC000055144271 526153793 /nfs/dbraw/zinc/15/37/93/526153793.db2.gz RACBPSBYXDVOGJ-UHFFFAOYSA-N 1 3 289.423 2.087 10 0 CEAEHO c1ccc2c(c1)CNC[C@H]2N1CC[C@H]([NH+]2CCCC2)C1 ZINC000069267446 526508387 /nfs/dbraw/zinc/50/83/87/526508387.db2.gz USRUHVRZTXYWJM-DOTOQJQBSA-N 1 3 271.408 2.001 10 0 CEAEHO CNCc1cc(F)ccc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000091392122 536469160 /nfs/dbraw/zinc/46/91/60/536469160.db2.gz PVHYUEZHEZNCDN-CQSZACIVSA-N 1 3 265.376 2.076 10 0 CEAEHO Cc1nc(N2CCCN(C)CC2)sc1C[NH2+]C(C)(C)C ZINC000054968952 526964251 /nfs/dbraw/zinc/96/42/51/526964251.db2.gz CCLKRZKAIOAGQK-UHFFFAOYSA-N 1 3 296.484 2.482 10 0 CEAEHO NCc1cc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000061702262 527250479 /nfs/dbraw/zinc/25/04/79/527250479.db2.gz OPUCGSSADPTLMS-KRWDZBQOSA-N 1 3 283.375 2.194 10 0 CEAEHO NCc1cc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000061702262 527250480 /nfs/dbraw/zinc/25/04/80/527250480.db2.gz OPUCGSSADPTLMS-KRWDZBQOSA-N 1 3 283.375 2.194 10 0 CEAEHO C1CC1[NH+]1CCC2(CC1)N[C@@H]1CCCC[C@@H]1CO2 ZINC000757138109 574510110 /nfs/dbraw/zinc/51/01/10/574510110.db2.gz ASHIXBZKTMVZQD-TZMCWYRMSA-N 1 3 250.386 2.120 10 0 CEAEHO CC[C@H]1CN2CCCC[C@@H]2CN1CC1CC[NH+](C)CC1 ZINC000094434172 628893581 /nfs/dbraw/zinc/89/35/81/628893581.db2.gz UYASRTZGLQPLDW-DLBZAZTESA-N 1 3 279.472 2.277 10 0 CEAEHO CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037042503 361890870 /nfs/dbraw/zinc/89/08/70/361890870.db2.gz PEYWGOMEIDOGFQ-BXUZGUMPSA-N 1 3 263.385 2.060 10 0 CEAEHO C[NH+](C)Cc1ccc(NC(=O)[C@]2(C)CCCCN2)cc1 ZINC000133181792 344367600 /nfs/dbraw/zinc/36/76/00/344367600.db2.gz STXBOSOJOWXJKM-INIZCTEOSA-N 1 3 275.396 2.219 10 0 CEAEHO C[C@@H]1CC[C@@](CN)([N@@H+]2CCC[C@@H]2CN(C)C)C[C@@H]1C ZINC000084990000 178939561 /nfs/dbraw/zinc/93/95/61/178939561.db2.gz WZDWAGBWGYRHMP-QKPAOTATSA-N 1 3 267.461 2.166 10 0 CEAEHO C[C@@H]1CC[C@@](CN)([N@H+]2CCC[C@@H]2CN(C)C)C[C@@H]1C ZINC000084990000 178939564 /nfs/dbraw/zinc/93/95/64/178939564.db2.gz WZDWAGBWGYRHMP-QKPAOTATSA-N 1 3 267.461 2.166 10 0 CEAEHO NC[C@](O)(C[NH+]1CCC2(CCCCC2)CC1)C1CC1 ZINC000085302779 179011579 /nfs/dbraw/zinc/01/15/79/179011579.db2.gz QHWAXQQBOVPCAK-INIZCTEOSA-N 1 3 266.429 2.133 10 0 CEAEHO CN(C)Cc1cccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085361429 179033152 /nfs/dbraw/zinc/03/31/52/179033152.db2.gz MQTWVHZJTAFXJU-LSDHHAIUSA-N 1 3 275.396 2.204 10 0 CEAEHO CN(C)Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085364039 179035352 /nfs/dbraw/zinc/03/53/52/179035352.db2.gz XFTRLNGOADSYGF-GJZGRUSLSA-N 1 3 275.396 2.204 10 0 CEAEHO CC[C@]1(C)CN[C@](C)(C2CC2)C[N@@H+]1CCn1ccnc1C ZINC000085515084 179086518 /nfs/dbraw/zinc/08/65/18/179086518.db2.gz WOESXCBCIFENQW-SJORKVTESA-N 1 3 290.455 2.434 10 0 CEAEHO CC[C@]1(C)CN[C@](C)(C2CC2)C[N@H+]1CCn1ccnc1C ZINC000085515084 179086520 /nfs/dbraw/zinc/08/65/20/179086520.db2.gz WOESXCBCIFENQW-SJORKVTESA-N 1 3 290.455 2.434 10 0 CEAEHO CC[C@@H](C)[C@H]1C[NH2+][C@H](C2CC2)CN1CCCn1ccnc1 ZINC000085524864 179089295 /nfs/dbraw/zinc/08/92/95/179089295.db2.gz KPDWCPFXHHQXMW-HYVNUMGLSA-N 1 3 290.455 2.372 10 0 CEAEHO C([C@H]1CCCCO1)[N@@H+]1CCCNC2(CCCC2)C1 ZINC000085612616 179102984 /nfs/dbraw/zinc/10/29/84/179102984.db2.gz QDJHGJYYOAHMLW-CQSZACIVSA-N 1 3 252.402 2.164 10 0 CEAEHO C([C@H]1CCCCO1)[N@H+]1CCCNC2(CCCC2)C1 ZINC000085612616 179102985 /nfs/dbraw/zinc/10/29/85/179102985.db2.gz QDJHGJYYOAHMLW-CQSZACIVSA-N 1 3 252.402 2.164 10 0 CEAEHO CCCO[C@@H]1CCCN([C@@](CC)(C[NH3+])C2CC2)C1 ZINC000086120430 179235030 /nfs/dbraw/zinc/23/50/30/179235030.db2.gz PGLVEFLRXLCQOV-CABCVRRESA-N 1 3 254.418 2.395 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@@H+](C2CCN(C)CC2)[C@@H](CC)CN1 ZINC000086153967 179241519 /nfs/dbraw/zinc/24/15/19/179241519.db2.gz ZDXYLNZSKYXPPC-OFQRWUPVSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@H+](C2CCN(C)CC2)[C@@H](CC)CN1 ZINC000086153967 179241520 /nfs/dbraw/zinc/24/15/20/179241520.db2.gz ZDXYLNZSKYXPPC-OFQRWUPVSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@H+](C[C@@H]2CCCN(C)C2)[C@@H](CC)CN1 ZINC000086173720 179244890 /nfs/dbraw/zinc/24/48/90/179244890.db2.gz WSKQZAXNWOAKSW-YVSFHVDLSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@@H+](C[C@@H]2CCCN(C)C2)[C@@H](CC)CN1 ZINC000086173720 179244892 /nfs/dbraw/zinc/24/48/92/179244892.db2.gz WSKQZAXNWOAKSW-YVSFHVDLSA-N 1 3 281.488 2.427 10 0 CEAEHO CC[C@@H]1CN[C@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223134 179251439 /nfs/dbraw/zinc/25/14/39/179251439.db2.gz OCPPGAMPWPXDEJ-NXHRZFHOSA-N 1 3 287.451 2.363 10 0 CEAEHO CC[C@@H]1CN[C@H](c2ccccc2)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223134 179251442 /nfs/dbraw/zinc/25/14/42/179251442.db2.gz OCPPGAMPWPXDEJ-NXHRZFHOSA-N 1 3 287.451 2.363 10 0 CEAEHO CC[C@H]1C[N@H+](CCc2ccc(OC)cc2)CCCN1 ZINC000086269446 179262023 /nfs/dbraw/zinc/26/20/23/179262023.db2.gz AIIJNTHNQMZTCZ-HNNXBMFYSA-N 1 3 262.397 2.312 10 0 CEAEHO CC[C@H]1C[N@@H+](CCc2ccc(OC)cc2)CCCN1 ZINC000086269446 179262027 /nfs/dbraw/zinc/26/20/27/179262027.db2.gz AIIJNTHNQMZTCZ-HNNXBMFYSA-N 1 3 262.397 2.312 10 0 CEAEHO c1ccc([C@H]2C[N@H+]([C@@H]3CN4CCC3CC4)CCCN2)cc1 ZINC000086285953 179263904 /nfs/dbraw/zinc/26/39/04/179263904.db2.gz KWTXVOQZGDDTII-QZTJIDSGSA-N 1 3 285.435 2.117 10 0 CEAEHO c1ccc([C@H]2C[N@@H+]([C@@H]3CN4CCC3CC4)CCCN2)cc1 ZINC000086285953 179263907 /nfs/dbraw/zinc/26/39/07/179263907.db2.gz KWTXVOQZGDDTII-QZTJIDSGSA-N 1 3 285.435 2.117 10 0 CEAEHO C[C@@H]([C@H]1CCCO1)[N@@H+]1CCCN[C@H](C(C)(C)C)C1 ZINC000086287104 179264058 /nfs/dbraw/zinc/26/40/58/179264058.db2.gz ZJVFJQJVDIADGF-MJBXVCDLSA-N 1 3 254.418 2.264 10 0 CEAEHO C[C@@H]([C@H]1CCCO1)[N@H+]1CCCN[C@H](C(C)(C)C)C1 ZINC000086287104 179264059 /nfs/dbraw/zinc/26/40/59/179264059.db2.gz ZJVFJQJVDIADGF-MJBXVCDLSA-N 1 3 254.418 2.264 10 0 CEAEHO C[C@@H]([C@H]1CCCO1)N1CCC[NH2+][C@H](C(C)(C)C)C1 ZINC000086287104 179264061 /nfs/dbraw/zinc/26/40/61/179264061.db2.gz ZJVFJQJVDIADGF-MJBXVCDLSA-N 1 3 254.418 2.264 10 0 CEAEHO CN(C)CCC[N@@H+]1CCCN[C@@](C)(c2ccccc2)C1 ZINC000086286967 179264271 /nfs/dbraw/zinc/26/42/71/179264271.db2.gz DHYQSNPIZBXGGH-QGZVFWFLSA-N 1 3 275.440 2.149 10 0 CEAEHO CN(C)CCC[N@H+]1CCCN[C@@](C)(c2ccccc2)C1 ZINC000086286967 179264273 /nfs/dbraw/zinc/26/42/73/179264273.db2.gz DHYQSNPIZBXGGH-QGZVFWFLSA-N 1 3 275.440 2.149 10 0 CEAEHO CC(C)[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259206 179257641 /nfs/dbraw/zinc/25/76/41/179257641.db2.gz ZFLSCRZRLAVYLQ-KBAYOESNSA-N 1 3 293.499 2.427 10 0 CEAEHO CC(C)[C@H]1CN[C@@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC000086259206 179257642 /nfs/dbraw/zinc/25/76/42/179257642.db2.gz ZFLSCRZRLAVYLQ-KBAYOESNSA-N 1 3 293.499 2.427 10 0 CEAEHO C1CCC2(CC1)C[N@@H+]([C@H]1CCCOC1)CCCN2 ZINC000086297579 179267415 /nfs/dbraw/zinc/26/74/15/179267415.db2.gz IQZIRJDPCBOLCX-AWEZNQCLSA-N 1 3 252.402 2.164 10 0 CEAEHO C1CCC2(CC1)C[N@H+]([C@H]1CCCOC1)CCCN2 ZINC000086297579 179267416 /nfs/dbraw/zinc/26/74/16/179267416.db2.gz IQZIRJDPCBOLCX-AWEZNQCLSA-N 1 3 252.402 2.164 10 0 CEAEHO CCN1CCC[C@H]([C@@H](C)[NH2+][C@@H](COC)C(C)C)C1 ZINC000086695649 179320817 /nfs/dbraw/zinc/32/08/17/179320817.db2.gz WXDZOGLKUJDLSN-ILXRZTDVSA-N 1 3 256.434 2.367 10 0 CEAEHO CC(C)C[C@H](CO)[NH2+][C@@H]1CCCN(C(C)C)CC1 ZINC000086842534 179352481 /nfs/dbraw/zinc/35/24/81/179352481.db2.gz GLEGWFGFMJWOFT-HUUCEWRRSA-N 1 3 256.434 2.246 10 0 CEAEHO CC(C)C[C@H](CO)N[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086842534 179352482 /nfs/dbraw/zinc/35/24/82/179352482.db2.gz GLEGWFGFMJWOFT-HUUCEWRRSA-N 1 3 256.434 2.246 10 0 CEAEHO CC(C)C[C@H](CO)N[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086842534 179352483 /nfs/dbraw/zinc/35/24/83/179352483.db2.gz GLEGWFGFMJWOFT-HUUCEWRRSA-N 1 3 256.434 2.246 10 0 CEAEHO CCN1CCC[C@H]([NH2+][C@@H](CC(C)C)CN(C)C)CC1 ZINC000086840624 179352900 /nfs/dbraw/zinc/35/29/00/179352900.db2.gz OVBZJASENFLZCV-HOTGVXAUSA-N 1 3 269.477 2.427 10 0 CEAEHO CCN1CCC[C@H]([NH2+]C[C@@H]2Cc3ccccc3O2)CC1 ZINC000086841923 179354067 /nfs/dbraw/zinc/35/40/67/179354067.db2.gz APJOEPRZMJZABE-HOTGVXAUSA-N 1 3 274.408 2.454 10 0 CEAEHO CC[N@@H+]1CCC[C@H](NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000086841923 179354069 /nfs/dbraw/zinc/35/40/69/179354069.db2.gz APJOEPRZMJZABE-HOTGVXAUSA-N 1 3 274.408 2.454 10 0 CEAEHO CC[N@H+]1CCC[C@H](NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000086841923 179354071 /nfs/dbraw/zinc/35/40/71/179354071.db2.gz APJOEPRZMJZABE-HOTGVXAUSA-N 1 3 274.408 2.454 10 0 CEAEHO CCC[N@@H+]1CCC[C@@H](NCCOCC(F)(F)F)CC1 ZINC000086845191 179354521 /nfs/dbraw/zinc/35/45/21/179354521.db2.gz VAUPCHZIWCOFTD-GFCCVEGCSA-N 1 3 282.350 2.419 10 0 CEAEHO CCC[N@H+]1CCC[C@@H](NCCOCC(F)(F)F)CC1 ZINC000086845191 179354523 /nfs/dbraw/zinc/35/45/23/179354523.db2.gz VAUPCHZIWCOFTD-GFCCVEGCSA-N 1 3 282.350 2.419 10 0 CEAEHO CCCN1CCC[C@@H]([NH2+]CCOCC(F)(F)F)CC1 ZINC000086845191 179354524 /nfs/dbraw/zinc/35/45/24/179354524.db2.gz VAUPCHZIWCOFTD-GFCCVEGCSA-N 1 3 282.350 2.419 10 0 CEAEHO C[C@H]1CCC[C@](CN)([N@H+](C)CCCN(C)C)CC1 ZINC000086891454 179366030 /nfs/dbraw/zinc/36/60/30/179366030.db2.gz WKLFHSKKJRSIFZ-GJZGRUSLSA-N 1 3 255.450 2.168 10 0 CEAEHO C[C@H]1CCC[C@](CN)([N@@H+](C)CCCN(C)C)CC1 ZINC000086891454 179366031 /nfs/dbraw/zinc/36/60/31/179366031.db2.gz WKLFHSKKJRSIFZ-GJZGRUSLSA-N 1 3 255.450 2.168 10 0 CEAEHO CC(C)N1CCC[C@@H]([NH2+]CC2(O)CCCC2)CC1 ZINC000087016494 179380384 /nfs/dbraw/zinc/38/03/84/179380384.db2.gz VZBUSRMXRDYEPX-CQSZACIVSA-N 1 3 254.418 2.144 10 0 CEAEHO CC(C)[N@@H+]1CCC[C@@H](NCC2(O)CCCC2)CC1 ZINC000087016494 179380385 /nfs/dbraw/zinc/38/03/85/179380385.db2.gz VZBUSRMXRDYEPX-CQSZACIVSA-N 1 3 254.418 2.144 10 0 CEAEHO CC(C)[N@H+]1CCC[C@@H](NCC2(O)CCCC2)CC1 ZINC000087016494 179380386 /nfs/dbraw/zinc/38/03/86/179380386.db2.gz VZBUSRMXRDYEPX-CQSZACIVSA-N 1 3 254.418 2.144 10 0 CEAEHO C[C@@H]1CCC[C@@](O)(C[NH2+]CCCN2CCCC2)C1 ZINC000087064892 179389925 /nfs/dbraw/zinc/38/99/25/179389925.db2.gz HWMFFINWOATIEN-CABCVRRESA-N 1 3 254.418 2.003 10 0 CEAEHO C[C@@H]1CCC[C@@](O)(CNCCC[NH+]2CCCC2)C1 ZINC000087064892 179389927 /nfs/dbraw/zinc/38/99/27/179389927.db2.gz HWMFFINWOATIEN-CABCVRRESA-N 1 3 254.418 2.003 10 0 CEAEHO CCCN[C@H]1COC[C@H]1C[N@H+](C)CC1CCCC1 ZINC000090566973 180006494 /nfs/dbraw/zinc/00/64/94/180006494.db2.gz RLHKTGRDCJXBLK-CABCVRRESA-N 1 3 254.418 2.123 10 0 CEAEHO CCCN[C@H]1COC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC000090566973 180006496 /nfs/dbraw/zinc/00/64/96/180006496.db2.gz RLHKTGRDCJXBLK-CABCVRRESA-N 1 3 254.418 2.123 10 0 CEAEHO CC[N@H+](C[C@@H]1Cc2ccccc2O1)[C@@H]1CCC[C@@H]1CN ZINC000090876294 180052199 /nfs/dbraw/zinc/05/21/99/180052199.db2.gz KLNAMBVBFVEMGS-OWCLPIDISA-N 1 3 274.408 2.439 10 0 CEAEHO CC[N@@H+](C[C@@H]1Cc2ccccc2O1)[C@@H]1CCC[C@@H]1CN ZINC000090876294 180052200 /nfs/dbraw/zinc/05/22/00/180052200.db2.gz KLNAMBVBFVEMGS-OWCLPIDISA-N 1 3 274.408 2.439 10 0 CEAEHO CCN(C[C@@H]1Cc2ccccc2O1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000090876294 180052202 /nfs/dbraw/zinc/05/22/02/180052202.db2.gz KLNAMBVBFVEMGS-OWCLPIDISA-N 1 3 274.408 2.439 10 0 CEAEHO C[C@H](CC[NH+](C)C)NC[C@H]1Cc2cc(F)ccc2O1 ZINC000090892504 180053914 /nfs/dbraw/zinc/05/39/14/180053914.db2.gz FMXZVSIQAVNOIJ-BXUZGUMPSA-N 1 3 266.360 2.059 10 0 CEAEHO CCN1CC[C@@H](C[NH2+]C[C@@H]2Cc3cc(C)ccc3O2)C1 ZINC000090897439 180057434 /nfs/dbraw/zinc/05/74/34/180057434.db2.gz SGJYMRIFSRFEMH-HOCLYGCPSA-N 1 3 274.408 2.230 10 0 CEAEHO CC[N@@H+]1CC[C@@H](CNC[C@@H]2Cc3cc(C)ccc3O2)C1 ZINC000090897439 180057437 /nfs/dbraw/zinc/05/74/37/180057437.db2.gz SGJYMRIFSRFEMH-HOCLYGCPSA-N 1 3 274.408 2.230 10 0 CEAEHO CC[N@H+]1CC[C@@H](CNC[C@@H]2Cc3cc(C)ccc3O2)C1 ZINC000090897439 180057439 /nfs/dbraw/zinc/05/74/39/180057439.db2.gz SGJYMRIFSRFEMH-HOCLYGCPSA-N 1 3 274.408 2.230 10 0 CEAEHO CN(CC1CC(O)C1)CC(C)(C)C[NH2+]C(C)(C)C ZINC000091489765 180168973 /nfs/dbraw/zinc/16/89/73/180168973.db2.gz PEAJZJXRDCEGFM-UHFFFAOYSA-N 1 3 256.434 2.103 10 0 CEAEHO CCC[NH2+][C@H](CCN(CC)CC)Cc1cccnc1N ZINC000091716835 180232551 /nfs/dbraw/zinc/23/25/51/180232551.db2.gz IWOKZFWRUWJTDL-OAHLLOKOSA-N 1 3 278.444 2.306 10 0 CEAEHO CCCN[C@H](CC[NH+](CC)CC)Cc1cccnc1N ZINC000091716835 180232553 /nfs/dbraw/zinc/23/25/53/180232553.db2.gz IWOKZFWRUWJTDL-OAHLLOKOSA-N 1 3 278.444 2.306 10 0 CEAEHO N[C@H](Cc1ccccc1Cl)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720638 180235801 /nfs/dbraw/zinc/23/58/01/180235801.db2.gz HLVNLKODHUAOMH-YUELXQCFSA-N 1 3 280.799 2.073 10 0 CEAEHO N[C@H](Cc1ccccc1Cl)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720638 180235804 /nfs/dbraw/zinc/23/58/04/180235804.db2.gz HLVNLKODHUAOMH-YUELXQCFSA-N 1 3 280.799 2.073 10 0 CEAEHO CN(Cc1nc2ccccc2[nH]1)C1CCC([NH3+])CC1 ZINC000091847141 180269937 /nfs/dbraw/zinc/26/99/37/180269937.db2.gz MYXXVFBVUQLSRL-UHFFFAOYSA-N 1 3 258.369 2.265 10 0 CEAEHO CCN1CCC(N(C)C(=[NH2+])Nc2ccccc2)CC1 ZINC000107075255 186159246 /nfs/dbraw/zinc/15/92/46/186159246.db2.gz OEKIWULCQLSNFY-UHFFFAOYSA-N 1 3 260.385 2.449 10 0 CEAEHO C[NH+](C)CC1CCN(Cc2c(N)cccc2F)CC1 ZINC000109427487 186251252 /nfs/dbraw/zinc/25/12/52/186251252.db2.gz UGCMSECVQQERHA-UHFFFAOYSA-N 1 3 265.376 2.182 10 0 CEAEHO Cc1cccc([C@@H]([C@@H](C)[NH3+])N2CCN(C)C(C)(C)C2)c1 ZINC000110704811 186314064 /nfs/dbraw/zinc/31/40/64/186314064.db2.gz YBNCGJMWYYCVIB-GDBMZVCRSA-N 1 3 275.440 2.409 10 0 CEAEHO COc1ccc([C@@H]([C@H](C)[NH3+])N2CCN(C)C(C)(C)C2)cc1 ZINC000110704708 186314935 /nfs/dbraw/zinc/31/49/35/186314935.db2.gz VDKHMLKETKHVBN-XJKSGUPXSA-N 1 3 291.439 2.110 10 0 CEAEHO COc1ccc([C@H](C[NH3+])N2CCN(C)C(C)(C)C2)cc1C ZINC000110711645 186316213 /nfs/dbraw/zinc/31/62/13/186316213.db2.gz AVQFIQNSARUIET-HNNXBMFYSA-N 1 3 291.439 2.029 10 0 CEAEHO CCC[NH2+][C@@H](CN1CCN(C)C(C)(C)C1)C(C)(C)C ZINC000110717252 186316408 /nfs/dbraw/zinc/31/64/08/186316408.db2.gz ZNXRQLJZAKBGTE-AWEZNQCLSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[NH2+][C@@H]1CCCC[C@H]1CN1CCN(C)C(C)(C)C1 ZINC000110747006 186322215 /nfs/dbraw/zinc/32/22/15/186322215.db2.gz JBEMBINIQDSQCH-LSDHHAIUSA-N 1 3 267.461 2.181 10 0 CEAEHO C[NH2+][C@H]1CC(C)(C)Cc2nc(N(C)CCN(C)C)sc21 ZINC000111151327 186360361 /nfs/dbraw/zinc/36/03/61/186360361.db2.gz OSAMLBHAGUONLK-NSHDSACASA-N 1 3 296.484 2.374 10 0 CEAEHO CN(C)CCN(C)[C@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000111132408 186356596 /nfs/dbraw/zinc/35/65/96/186356596.db2.gz BLKADLMTDWPAHW-GFCCVEGCSA-N 1 3 290.238 2.487 10 0 CEAEHO CN(C)CCN(C)[C@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000111132466 186356785 /nfs/dbraw/zinc/35/67/85/186356785.db2.gz IGBZJYUHJYANIJ-CYBMUJFWSA-N 1 3 289.345 2.199 10 0 CEAEHO CCCOc1ccc([C@@H](CN(C)CCN(C)C)[NH2+]C)cc1 ZINC000111134572 186357469 /nfs/dbraw/zinc/35/74/69/186357469.db2.gz PKAFXHHTDOLMCX-QGZVFWFLSA-N 1 3 293.455 2.229 10 0 CEAEHO CN(C)CCN(C)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000111135195 186358002 /nfs/dbraw/zinc/35/80/02/186358002.db2.gz RRNLOMZIBWRNOB-HZSPNIEDSA-N 1 3 255.450 2.022 10 0 CEAEHO CCCNCc1cc(CN(C)CCC[NH+](C)C)oc1C ZINC000111150181 186359879 /nfs/dbraw/zinc/35/98/79/186359879.db2.gz RNOJYIIAVAPUQO-UHFFFAOYSA-N 1 3 281.444 2.471 10 0 CEAEHO CC(C)C[NH2+]C[C@]1(CN(C)C2CCOCC2)CCCOC1 ZINC000111325750 186398216 /nfs/dbraw/zinc/39/82/16/186398216.db2.gz KAZGXOARPVGJTB-KRWDZBQOSA-N 1 3 298.471 2.140 10 0 CEAEHO C[N@H+](C[C@]1(CNC2CC2)CCCOC1)C1CCCC1 ZINC000111324825 186398260 /nfs/dbraw/zinc/39/82/60/186398260.db2.gz XRCXOECNCFCOTE-MRXNPFEDSA-N 1 3 266.429 2.410 10 0 CEAEHO C[N@@H+](C[C@]1(CNC2CC2)CCCOC1)C1CCCC1 ZINC000111324825 186398261 /nfs/dbraw/zinc/39/82/61/186398261.db2.gz XRCXOECNCFCOTE-MRXNPFEDSA-N 1 3 266.429 2.410 10 0 CEAEHO CN(C[C@]1(C[NH2+]C2CC2)CCCOC1)C1CCCC1 ZINC000111324825 186398263 /nfs/dbraw/zinc/39/82/63/186398263.db2.gz XRCXOECNCFCOTE-MRXNPFEDSA-N 1 3 266.429 2.410 10 0 CEAEHO CN(C[C@@]1(C[NH2+]C(C)(C)C)CCCOC1)C1CCOCC1 ZINC000111325766 186398496 /nfs/dbraw/zinc/39/84/96/186398496.db2.gz FOAFQYMRNRCKKK-KRWDZBQOSA-N 1 3 298.471 2.282 10 0 CEAEHO CC1(C)CCC[N@@H+]1C[C@@]1(CNC2CC2)CCCOC1 ZINC000111329499 186399797 /nfs/dbraw/zinc/39/97/97/186399797.db2.gz IDEJECLGNJIVHP-INIZCTEOSA-N 1 3 266.429 2.410 10 0 CEAEHO CC1(C)CCC[N@H+]1C[C@@]1(CNC2CC2)CCCOC1 ZINC000111329499 186399798 /nfs/dbraw/zinc/39/97/98/186399798.db2.gz IDEJECLGNJIVHP-INIZCTEOSA-N 1 3 266.429 2.410 10 0 CEAEHO C[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)Oc1ccccc1 ZINC000569957912 299229430 /nfs/dbraw/zinc/22/94/30/299229430.db2.gz WOYRABXRSHQOGJ-ILXRZTDVSA-N 1 3 262.397 2.432 10 0 CEAEHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCCNC1)Oc1ccccc1 ZINC000569957912 299229433 /nfs/dbraw/zinc/22/94/33/299229433.db2.gz WOYRABXRSHQOGJ-ILXRZTDVSA-N 1 3 262.397 2.432 10 0 CEAEHO Cc1nc2ccccc2n1CCN[C@@H]1CCC[NH2+]CC1 ZINC000133592330 366238386 /nfs/dbraw/zinc/23/83/86/366238386.db2.gz AIIYTZRPRBBEFP-CQSZACIVSA-N 1 3 272.396 2.076 10 0 CEAEHO Cc1nc2ccccc2n1CC[NH2+][C@@H]1CCCNCC1 ZINC000133592330 366238388 /nfs/dbraw/zinc/23/83/88/366238388.db2.gz AIIYTZRPRBBEFP-CQSZACIVSA-N 1 3 272.396 2.076 10 0 CEAEHO CN(C)CCOc1cccc(N[C@H]2CCC[NH2+]CC2)c1 ZINC000133682585 366247165 /nfs/dbraw/zinc/24/71/65/366247165.db2.gz DOQGCGVJMNHPMO-AWEZNQCLSA-N 1 3 277.412 2.181 10 0 CEAEHO COc1cc(Br)ccc1[C@@H](N)CCC[NH3+] ZINC000575439489 366287451 /nfs/dbraw/zinc/28/74/51/366287451.db2.gz APNWICJHZKDAGE-JTQLQIEISA-N 1 3 273.174 2.196 10 0 CEAEHO C[C@H](N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000570832314 299280458 /nfs/dbraw/zinc/28/04/58/299280458.db2.gz HVRQGHJISCIEMC-RYQLBKOJSA-N 1 3 287.451 2.239 10 0 CEAEHO CCC[N@H+](CCCN)[C@H]1CCc2c(O)cccc2C1 ZINC000027998587 361665315 /nfs/dbraw/zinc/66/53/15/361665315.db2.gz STZVDNIQZPXBQC-AWEZNQCLSA-N 1 3 262.397 2.310 10 0 CEAEHO CCC[N@@H+](CCCN)[C@H]1CCc2c(O)cccc2C1 ZINC000027998587 361665319 /nfs/dbraw/zinc/66/53/19/361665319.db2.gz STZVDNIQZPXBQC-AWEZNQCLSA-N 1 3 262.397 2.310 10 0 CEAEHO C[C@H](NCCOC1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000583137949 367006007 /nfs/dbraw/zinc/00/60/07/367006007.db2.gz WEJFFUSDOWMPIF-KBPBESRZSA-N 1 3 254.418 2.313 10 0 CEAEHO C[C@H]([NH2+]CCOC1CCCCC1)[C@H]1CCCNC1 ZINC000583137949 367006012 /nfs/dbraw/zinc/00/60/12/367006012.db2.gz WEJFFUSDOWMPIF-KBPBESRZSA-N 1 3 254.418 2.313 10 0 CEAEHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCN1CCCCC1 ZINC000245437983 370819775 /nfs/dbraw/zinc/81/97/75/370819775.db2.gz RVVBDSTYCHGDGB-CVEARBPZSA-N 1 3 265.445 2.031 10 0 CEAEHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CCN1CCCCC1 ZINC000245437983 370819779 /nfs/dbraw/zinc/81/97/79/370819779.db2.gz RVVBDSTYCHGDGB-CVEARBPZSA-N 1 3 265.445 2.031 10 0 CEAEHO C[C@H]1CN(CCOc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000631843129 367585417 /nfs/dbraw/zinc/58/54/17/367585417.db2.gz JNZPMSNPASYRFN-NWDGAFQWSA-N 1 3 268.788 2.245 10 0 CEAEHO O[C@@]12CCCC[C@H]1CN(CCC[NH+]1CCCCC1)CC2 ZINC000249308322 371313349 /nfs/dbraw/zinc/31/33/49/371313349.db2.gz DIGTZKNKIZILCP-DLBZAZTESA-N 1 3 280.456 2.489 10 0 CEAEHO C(CN1CCN2CCCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000249378987 371317166 /nfs/dbraw/zinc/31/71/66/371317166.db2.gz OPVXJYZXLHIACF-INIZCTEOSA-N 1 3 265.445 2.033 10 0 CEAEHO COCC[N@H+](C[C@@H]1CCCNC1)[C@@H]1CC[C@H](C)C1 ZINC000261927689 371772314 /nfs/dbraw/zinc/77/23/14/371772314.db2.gz LEHHLRIKAVTNIE-RRFJBIMHSA-N 1 3 254.418 2.123 10 0 CEAEHO COCC[N@@H+](C[C@@H]1CCCNC1)[C@@H]1CC[C@H](C)C1 ZINC000261927689 371772320 /nfs/dbraw/zinc/77/23/20/371772320.db2.gz LEHHLRIKAVTNIE-RRFJBIMHSA-N 1 3 254.418 2.123 10 0 CEAEHO CC(C)OC1CCC([NH2+][C@H]2CCCNCC2)CC1 ZINC000643475784 373144295 /nfs/dbraw/zinc/14/42/95/373144295.db2.gz LNKOZPHDPWRDKJ-NFOMZHRRSA-N 1 3 254.418 2.454 10 0 CEAEHO CN(CCN1CCC([NH+](C)C)CC1)Cc1ccc(F)cc1 ZINC000185181081 542302742 /nfs/dbraw/zinc/30/27/42/542302742.db2.gz SPTFIGICDLRVCN-UHFFFAOYSA-N 1 3 293.430 2.284 10 0 CEAEHO CCCNCc1ccnc(N2CCC[C@H]([NH+](C)C)C2)c1F ZINC000097879150 134514682 /nfs/dbraw/zinc/51/46/82/134514682.db2.gz QSZDIPRSGCENIS-AWEZNQCLSA-N 1 3 294.418 2.251 10 0 CEAEHO CC(C)C[C@@H](C[NH3+])CCN1CCN(c2ccccn2)CC1 ZINC000088290130 135054023 /nfs/dbraw/zinc/05/40/23/135054023.db2.gz VAJCUQQYLZZUOD-INIZCTEOSA-N 1 3 290.455 2.215 10 0 CEAEHO Cc1cc(N2CCN([C@@H]3CC[NH2+]C3)CC2)c2ccccc2n1 ZINC000262458200 394618001 /nfs/dbraw/zinc/61/80/01/394618001.db2.gz IGOAVWDPPUCNCG-OAHLLOKOSA-N 1 3 296.418 2.027 10 0 CEAEHO Cc1cc(C)cc(OCCN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000381143300 395172944 /nfs/dbraw/zinc/17/29/44/395172944.db2.gz KAPLKHCSBTUSRI-USXIJHARSA-N 1 3 274.408 2.351 10 0 CEAEHO CC(C)(C)CCN1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000165700076 162344147 /nfs/dbraw/zinc/34/41/47/162344147.db2.gz MCWCZBPYNSSYOU-CABCVRRESA-N 1 3 295.471 2.084 10 0 CEAEHO CCCN1CCN([C@H](C[NH3+])c2cccc(C)c2)CC1 ZINC000020179463 171043991 /nfs/dbraw/zinc/04/39/91/171043991.db2.gz IPHLYMUDQOOKQT-MRXNPFEDSA-N 1 3 261.413 2.022 10 0 CEAEHO CCCN1CCN([C@H](C[NH3+])c2ccc(C)cc2)CC1 ZINC000020179482 171044288 /nfs/dbraw/zinc/04/42/88/171044288.db2.gz PAGYUBWFILYICZ-MRXNPFEDSA-N 1 3 261.413 2.022 10 0 CEAEHO CC[C@H](C)C[C@@](CC)(CN)[N@@H+]1CCCN(C)CC1 ZINC000020217718 171080631 /nfs/dbraw/zinc/08/06/31/171080631.db2.gz CBYXFOQSWRYYQD-GJZGRUSLSA-N 1 3 255.450 2.168 10 0 CEAEHO CC[C@H](C)C[C@@](CC)(CN)[N@H+]1CCCN(C)CC1 ZINC000020217718 171080633 /nfs/dbraw/zinc/08/06/33/171080633.db2.gz CBYXFOQSWRYYQD-GJZGRUSLSA-N 1 3 255.450 2.168 10 0 CEAEHO CN1CCCN([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])CC1 ZINC000020260623 171117513 /nfs/dbraw/zinc/11/75/13/171117513.db2.gz BLUPYFWIJIVBSM-SOUVJXGZSA-N 1 3 267.461 2.166 10 0 CEAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCC(=O)Nc2cccc(CN)c2)C1 ZINC000022162612 171364868 /nfs/dbraw/zinc/36/48/68/171364868.db2.gz FWILDUDCYXJPBV-OKILXGFUSA-N 1 3 289.423 2.452 10 0 CEAEHO C[C@@H]1C[C@H](C)C[N@H+](CCC(=O)Nc2cccc(CN)c2)C1 ZINC000022162612 171364869 /nfs/dbraw/zinc/36/48/69/171364869.db2.gz FWILDUDCYXJPBV-OKILXGFUSA-N 1 3 289.423 2.452 10 0 CEAEHO CN([C@H](C[NH3+])c1ccccc1Cl)C1CCN(C)CC1 ZINC000022210388 171373197 /nfs/dbraw/zinc/37/31/97/171373197.db2.gz WLRCPCHNFQLKCI-OAHLLOKOSA-N 1 3 281.831 2.366 10 0 CEAEHO CCOC1CC[NH+]([C@H]2C[C@@H](C)CC[C@@H]2CN)CC1 ZINC000040678509 174374876 /nfs/dbraw/zinc/37/48/76/174374876.db2.gz PBGPIEAJBFVPHK-GUTXKFCHSA-N 1 3 254.418 2.251 10 0 CEAEHO CC[C@H](CC(N)=S)[NH+]1CCC(N2CCCCC2)CC1 ZINC000040694052 174377865 /nfs/dbraw/zinc/37/78/65/174377865.db2.gz PCKUCUHZALAAPX-CYBMUJFWSA-N 1 3 283.485 2.392 10 0 CEAEHO CC[C@H](CC(N)=S)N1CCC([NH+]2CCCCC2)CC1 ZINC000040694052 174377867 /nfs/dbraw/zinc/37/78/67/174377867.db2.gz PCKUCUHZALAAPX-CYBMUJFWSA-N 1 3 283.485 2.392 10 0 CEAEHO CCN(CC)[C@@H](CN[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043323922 175006650 /nfs/dbraw/zinc/00/66/50/175006650.db2.gz DRKVWFFCMZRCCB-SJORKVTESA-N 1 3 275.440 2.411 10 0 CEAEHO c1ccc([C@@H](CN[C@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000043324493 175007098 /nfs/dbraw/zinc/00/70/98/175007098.db2.gz ZPEDGGOLPPUVNF-DLBZAZTESA-N 1 3 273.424 2.165 10 0 CEAEHO CC[NH2+][C@@H]1CCCCC[C@@H]1N(C)C1CCN(C)CC1 ZINC000043815315 175112579 /nfs/dbraw/zinc/11/25/79/175112579.db2.gz RSVGLVYQCDZKDY-CVEARBPZSA-N 1 3 267.461 2.323 10 0 CEAEHO CCC[NH2+][C@H](CN1CCCN(C)CC1)C(C)(C)C ZINC000043818525 175112928 /nfs/dbraw/zinc/11/29/28/175112928.db2.gz MSJJIZPSCVZGGH-CQSZACIVSA-N 1 3 255.450 2.038 10 0 CEAEHO CCC[C@@H]([NH2+]CC)[C@@H](CC)N1CCCN(C)CC1 ZINC000043818423 175113050 /nfs/dbraw/zinc/11/30/50/175113050.db2.gz RWVSFYITABCJKN-HUUCEWRRSA-N 1 3 255.450 2.181 10 0 CEAEHO CC[NH2+][C@H]1CCCC[C@@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965638 175127395 /nfs/dbraw/zinc/12/73/95/175127395.db2.gz OSOMBHYYHPWJAT-GJZGRUSLSA-N 1 3 267.461 2.323 10 0 CEAEHO C[NH2+][C@H](CN1CCN(CC2CC2)CC1)c1ccccc1C ZINC000043967870 175129181 /nfs/dbraw/zinc/12/91/81/175129181.db2.gz CMDJPNDREHTSBF-GOSISDBHSA-N 1 3 287.451 2.283 10 0 CEAEHO CC[C@@H](C[NH3+])C(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000044798072 175255250 /nfs/dbraw/zinc/25/52/50/175255250.db2.gz GVGKBUMWKQYCSG-GOEBONIOSA-N 1 3 291.439 2.171 10 0 CEAEHO CCCC[NH+](CCCC)CCCC[C@](C)(N)C(N)=O ZINC000045380572 175369237 /nfs/dbraw/zinc/36/92/37/175369237.db2.gz GTCOOOORKFWYEY-HNNXBMFYSA-N 1 3 271.449 2.262 10 0 CEAEHO CC(C)C1CCC(CN)([N@H+](C)C[C@@H]2CCN(C)C2)CC1 ZINC000071188374 176062961 /nfs/dbraw/zinc/06/29/61/176062961.db2.gz UAGPNPOORBHELE-KLAILNCOSA-N 1 3 281.488 2.414 10 0 CEAEHO CC(C)C1CCC(CN)([N@@H+](C)C[C@@H]2CCN(C)C2)CC1 ZINC000071188374 176062963 /nfs/dbraw/zinc/06/29/63/176062963.db2.gz UAGPNPOORBHELE-KLAILNCOSA-N 1 3 281.488 2.414 10 0 CEAEHO CC[C@H]([C@H](N)c1ccccc1)[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188685 176063990 /nfs/dbraw/zinc/06/39/90/176063990.db2.gz QMWPGRRIVZPOFM-DJIMGWMZSA-N 1 3 275.440 2.349 10 0 CEAEHO CC[C@H]([C@H](N)c1ccccc1)[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188685 176063991 /nfs/dbraw/zinc/06/39/91/176063991.db2.gz QMWPGRRIVZPOFM-DJIMGWMZSA-N 1 3 275.440 2.349 10 0 CEAEHO Cc1ccc([C@@H](N)CN(C)C[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC000071188775 176064074 /nfs/dbraw/zinc/06/40/74/176064074.db2.gz HNQUNFIVOFQYTE-WBVHZDCISA-N 1 3 275.440 2.187 10 0 CEAEHO Cc1ccc([C@@H](N)CN(C)C[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC000071188775 176064075 /nfs/dbraw/zinc/06/40/75/176064075.db2.gz HNQUNFIVOFQYTE-WBVHZDCISA-N 1 3 275.440 2.187 10 0 CEAEHO C[C@@H](CNc1ccccc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192182 176073705 /nfs/dbraw/zinc/07/37/05/176073705.db2.gz OASFJAVELCVBDM-LSDHHAIUSA-N 1 3 261.413 2.371 10 0 CEAEHO C[C@@H](CNc1ccccc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192182 176073707 /nfs/dbraw/zinc/07/37/07/176073707.db2.gz OASFJAVELCVBDM-LSDHHAIUSA-N 1 3 261.413 2.371 10 0 CEAEHO [NH3+]Cc1cc(F)ccc1CN1CCC[C@H]1CCCO ZINC000071263625 176096682 /nfs/dbraw/zinc/09/66/82/176096682.db2.gz XEDDCTYLPJPBIS-HNNXBMFYSA-N 1 3 266.360 2.021 10 0 CEAEHO CCN([C@H]1CC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000071312126 176118967 /nfs/dbraw/zinc/11/89/67/176118967.db2.gz BTHXMQFSFMIGIH-SFHVURJKSA-N 1 3 287.451 2.335 10 0 CEAEHO CC[C@H]1C[N@H+](CCn2ccnc2C)C2(CCCC2)CN1 ZINC000071345278 176131552 /nfs/dbraw/zinc/13/15/52/176131552.db2.gz LAAVMDAWXGFTQD-HNNXBMFYSA-N 1 3 276.428 2.188 10 0 CEAEHO CC[C@H]1C[N@@H+](CCn2ccnc2C)C2(CCCC2)CN1 ZINC000071345278 176131553 /nfs/dbraw/zinc/13/15/53/176131553.db2.gz LAAVMDAWXGFTQD-HNNXBMFYSA-N 1 3 276.428 2.188 10 0 CEAEHO C[C@H](CN[C@H]1CCC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000390609540 262226675 /nfs/dbraw/zinc/22/66/75/262226675.db2.gz ZDWWJVAYJFOJAR-WBVHZDCISA-N 1 3 275.440 2.239 10 0 CEAEHO CC(C)(C)C1CCC(CNC[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263130828 278301147 /nfs/dbraw/zinc/30/11/47/278301147.db2.gz BPMGJUKTUQBSNR-SHWKFHJASA-N 1 3 268.445 2.009 10 0 CEAEHO CC(C)(C)C1CCC(C[NH2+]C[C@H]2CNC[C@@H]2O)CC1 ZINC000263130828 278301148 /nfs/dbraw/zinc/30/11/48/278301148.db2.gz BPMGJUKTUQBSNR-SHWKFHJASA-N 1 3 268.445 2.009 10 0 CEAEHO CC(C)[NH2+]C[C@@H]1CC[C@@H](COCCN2CCCCC2)O1 ZINC000052671039 519723818 /nfs/dbraw/zinc/72/38/18/519723818.db2.gz OBSXTIHLZXQREI-HOTGVXAUSA-N 1 3 284.444 2.035 10 0 CEAEHO CC1CCC([NH2+]CCN2CCC[C@@H]2CN(C)C)CC1 ZINC000061655226 520952703 /nfs/dbraw/zinc/95/27/03/520952703.db2.gz IRHCUITUIRETBE-UYSNPLJNSA-N 1 3 267.461 2.181 10 0 CEAEHO CCCN(CCN(C)C)c1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860195 521658929 /nfs/dbraw/zinc/65/89/29/521658929.db2.gz BHVDXSXTACVRAQ-UHFFFAOYSA-N 1 3 282.819 2.402 10 0 CEAEHO C[NH+](C)C[C@@H]1CCCN1c1nc(C2CC2)c(CN)s1 ZINC000069182055 521845709 /nfs/dbraw/zinc/84/57/09/521845709.db2.gz NTVTXBCFXHBXTM-NSHDSACASA-N 1 3 280.441 2.010 10 0 CEAEHO CC(C)(C)CCN1CCN(CCCCC[NH3+])CC1 ZINC000049254418 518649501 /nfs/dbraw/zinc/64/95/01/518649501.db2.gz MHRCLSRZAKCBIF-UHFFFAOYSA-N 1 3 255.450 2.169 10 0 CEAEHO CC(C)CC[NH2+]C[C@@H](C)N1CCN(CC(C)C)CC1 ZINC000055075941 519663156 /nfs/dbraw/zinc/66/31/56/519663156.db2.gz ANAZPTLEUJPBGN-MRXNPFEDSA-N 1 3 269.477 2.284 10 0 CEAEHO CC(C)CN(CCN(C)C)C(=O)[C@H]1CCC[C@H](CC[NH3+])C1 ZINC000055161484 519716361 /nfs/dbraw/zinc/71/63/61/519716361.db2.gz MHGNNVKGJPQCQP-CVEARBPZSA-N 1 3 297.487 2.188 10 0 CEAEHO CC(C)[NH2+]C[C@@H]1CC[C@H](CN(C)CCc2ccncc2)O1 ZINC000052483152 519724055 /nfs/dbraw/zinc/72/40/55/519724055.db2.gz BMFHVEZWPGTORS-DLBZAZTESA-N 1 3 291.439 2.102 10 0 CEAEHO CC(C)NCc1ccoc1COCCC[NH+](C)C ZINC000052672337 519727756 /nfs/dbraw/zinc/72/77/56/519727756.db2.gz ZKLKKSHDULNDJB-UHFFFAOYSA-N 1 3 254.374 2.246 10 0 CEAEHO CC(C)C[NH2+]CC[C@H](C)N1CCN(CC(C)C)CC1 ZINC000055083115 519744599 /nfs/dbraw/zinc/74/45/99/519744599.db2.gz DVMQLEJSLYJYKB-INIZCTEOSA-N 1 3 269.477 2.284 10 0 CEAEHO CCC[NH2+]CC(C)(C)CN1CCN(CC(C)C)CC1 ZINC000055081829 519908746 /nfs/dbraw/zinc/90/87/46/519908746.db2.gz OAWAJZNWRGLGQV-UHFFFAOYSA-N 1 3 269.477 2.286 10 0 CEAEHO CCC[NH2+]CCCCCN1CCN(C(C)C)CC1 ZINC000052480103 519911697 /nfs/dbraw/zinc/91/16/97/519911697.db2.gz WQMMTZAXZSYYQO-UHFFFAOYSA-N 1 3 255.450 2.182 10 0 CEAEHO CC[NH2+]CCC[C@@H](C)N1CCN(C2CCCC2)CC1 ZINC000052573522 519920321 /nfs/dbraw/zinc/92/03/21/519920321.db2.gz VHCXBAURUFDMKJ-OAHLLOKOSA-N 1 3 267.461 2.325 10 0 CEAEHO CCCNC[C@@H](O)C[NH+]1CCC2(CCCCC2)CC1 ZINC000061819201 519922087 /nfs/dbraw/zinc/92/20/87/519922087.db2.gz XMMYLQROVFXZIM-OAHLLOKOSA-N 1 3 268.445 2.393 10 0 CEAEHO CCC[NH2+]C[C@H](c1ccccc1)N1CCCN(C)CC1 ZINC000052424432 519935134 /nfs/dbraw/zinc/93/51/34/519935134.db2.gz JYCKFDKOHGWILC-QGZVFWFLSA-N 1 3 275.440 2.365 10 0 CEAEHO CC[NH2+]C[C@@H]1CC[C@@H](CN(CC)Cc2ccncc2)O1 ZINC000052515071 519950999 /nfs/dbraw/zinc/95/09/99/519950999.db2.gz ZZASOWSJBWCSAO-HOTGVXAUSA-N 1 3 277.412 2.061 10 0 CEAEHO CC[NH2+][C@@H](CN1CCC[C@@H]1CN(C)C)C(C)(C)C ZINC000061643711 520096730 /nfs/dbraw/zinc/09/67/30/520096730.db2.gz DCOSUQCVHCZIHX-KGLIPLIRSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CN(CC)CCOC ZINC000053875771 520123093 /nfs/dbraw/zinc/12/30/93/520123093.db2.gz NYWYIRNQQYNPBQ-RRFJBIMHSA-N 1 3 256.434 2.369 10 0 CEAEHO CC[NH2+][C@H](C)CCCCN1CCN(C(C)C)CC1 ZINC000045600356 520172120 /nfs/dbraw/zinc/17/21/20/520172120.db2.gz JFMYNYMWMMFEIE-OAHLLOKOSA-N 1 3 255.450 2.181 10 0 CEAEHO CCN(CC)C[C@H](O)C[NH2+][C@H](C)c1ccc(C)s1 ZINC000049182922 520737676 /nfs/dbraw/zinc/73/76/76/520737676.db2.gz TUYOIMVSOPTYKJ-CHWSQXEVSA-N 1 3 270.442 2.410 10 0 CEAEHO CCCCOCCN(C)Cc1ccccc1C[NH3+] ZINC000049261709 520759396 /nfs/dbraw/zinc/75/93/96/520759396.db2.gz QHQIGONXSSIMGV-UHFFFAOYSA-N 1 3 250.386 2.394 10 0 CEAEHO CCC[C@H]([NH3+])[C@H](CC)N1CCN(CC(C)C)CC1 ZINC000055078930 521120987 /nfs/dbraw/zinc/12/09/87/521120987.db2.gz OVQQOYJURGUSDO-GJZGRUSLSA-N 1 3 255.450 2.166 10 0 CEAEHO CCC[C@H]([NH2+]C)[C@@H](CC)N1CCN(CC(C)C)CC1 ZINC000055079228 521155448 /nfs/dbraw/zinc/15/54/48/521155448.db2.gz RPRGYKYSRRONJE-JKSUJKDBSA-N 1 3 269.477 2.427 10 0 CEAEHO CNC(C)(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000061318292 521934722 /nfs/dbraw/zinc/93/47/22/521934722.db2.gz HCRLKKIFJLCMSJ-UHFFFAOYSA-N 1 3 295.471 2.289 10 0 CEAEHO CNCC1(C[N@H+](C)[C@@H](C)C(C)(C)C)CCOCC1 ZINC000052182322 521968616 /nfs/dbraw/zinc/96/86/16/521968616.db2.gz JYPUZGLOXHOEPI-ZDUSSCGKSA-N 1 3 256.434 2.369 10 0 CEAEHO CNCC1(C[N@@H+](C)[C@@H](C)C(C)(C)C)CCOCC1 ZINC000052182322 521968621 /nfs/dbraw/zinc/96/86/21/521968621.db2.gz JYPUZGLOXHOEPI-ZDUSSCGKSA-N 1 3 256.434 2.369 10 0 CEAEHO C[NH2+]C[C@H]1CC[C@H](CN(C)Cc2ccc(C)cc2)O1 ZINC000052424732 522097018 /nfs/dbraw/zinc/09/70/18/522097018.db2.gz JLABSJFEFNPURD-HZPDHXFCSA-N 1 3 262.397 2.194 10 0 CEAEHO CC[C@H](C[NH2+]C)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000061702405 522191134 /nfs/dbraw/zinc/19/11/34/522191134.db2.gz FLTNIKMIJKXCOU-CVEARBPZSA-N 1 3 262.397 2.276 10 0 CEAEHO C[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CCN(CC(C)C)CC1 ZINC000055078861 522401011 /nfs/dbraw/zinc/40/10/11/522401011.db2.gz GNVLYRGHKDJUMH-ZWKOTPCHSA-N 1 3 287.451 2.145 10 0 CEAEHO CC[C@@H]([NH3+])[C@H](c1ccncc1)N1CCN(CC(C)C)CC1 ZINC000055077050 522653003 /nfs/dbraw/zinc/65/30/03/522653003.db2.gz NCSIWUINCAFIKB-SJORKVTESA-N 1 3 290.455 2.134 10 0 CEAEHO CC[C@H]1CCC[N@H+](CC2(CNC)CCOCC2)C1 ZINC000052181846 523089588 /nfs/dbraw/zinc/08/95/88/523089588.db2.gz DHSWTLPKJHWXDD-AWEZNQCLSA-N 1 3 254.418 2.125 10 0 CEAEHO CC[C@H]1CCC[N@@H+](CC2(CNC)CCOCC2)C1 ZINC000052181846 523089596 /nfs/dbraw/zinc/08/95/96/523089596.db2.gz DHSWTLPKJHWXDD-AWEZNQCLSA-N 1 3 254.418 2.125 10 0 CEAEHO COCCN(C)CCn1c(C)cc2c1CC(C)(C)C[C@H]2[NH3+] ZINC000061380803 523615381 /nfs/dbraw/zinc/61/53/81/523615381.db2.gz LNASFFXWAGTSLT-OAHLLOKOSA-N 1 3 293.455 2.347 10 0 CEAEHO CN(Cc1occc1C[NH2+]C1CC1)[C@@H]1CCSC1 ZINC000052453171 523617160 /nfs/dbraw/zinc/61/71/60/523617160.db2.gz PHCDOUFUMAWBLA-CYBMUJFWSA-N 1 3 266.410 2.469 10 0 CEAEHO COCCN(C)CCn1ccc2c1CC(C)(C)C[C@H]2[NH3+] ZINC000061380812 523620432 /nfs/dbraw/zinc/62/04/32/523620432.db2.gz KERRCHYEYKVBMN-CQSZACIVSA-N 1 3 279.428 2.039 10 0 CEAEHO CC[C@H](C)N1CCN(CCCC[NH2+]CC(C)C)CC1 ZINC000055073659 523952848 /nfs/dbraw/zinc/95/28/48/523952848.db2.gz LKJBBJRLJHYQGL-INIZCTEOSA-N 1 3 269.477 2.428 10 0 CEAEHO CC[C@H](C)N1CCN(CCCC[NH2+]C(C)C)CC1 ZINC000055074541 523952900 /nfs/dbraw/zinc/95/29/00/523952900.db2.gz AAGWRBFAWWQXQQ-HNNXBMFYSA-N 1 3 255.450 2.181 10 0 CEAEHO C[N@@H+]1CC[C@@H](CNCc2cccc3cnccc32)C1 ZINC000061125339 523961863 /nfs/dbraw/zinc/96/18/63/523961863.db2.gz QFGUPHWJKBNLEC-ZDUSSCGKSA-N 1 3 255.365 2.276 10 0 CEAEHO C[N@H+]1CC[C@@H](CNCc2cccc3cnccc32)C1 ZINC000061125339 523961866 /nfs/dbraw/zinc/96/18/66/523961866.db2.gz QFGUPHWJKBNLEC-ZDUSSCGKSA-N 1 3 255.365 2.276 10 0 CEAEHO Cc1cc(F)ccc1[C@@H](CN)N1CCC([NH+](C)C)CC1 ZINC000050578629 525002488 /nfs/dbraw/zinc/00/24/88/525002488.db2.gz YHTJHZUIBJLBKT-MRXNPFEDSA-N 1 3 279.403 2.160 10 0 CEAEHO Cc1ccc([C@@H](N)[C@@H](C)[N@H+](C)C2CCN(C)CC2)cc1 ZINC000052684847 525765339 /nfs/dbraw/zinc/76/53/39/525765339.db2.gz FFYVNILILIJHOV-PBHICJAKSA-N 1 3 275.440 2.409 10 0 CEAEHO Cc1ccc([C@@H](N)[C@@H](C)[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000052684847 525765349 /nfs/dbraw/zinc/76/53/49/525765349.db2.gz FFYVNILILIJHOV-PBHICJAKSA-N 1 3 275.440 2.409 10 0 CEAEHO NN=c1[nH]cccc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052718527 527288172 /nfs/dbraw/zinc/28/81/72/527288172.db2.gz VMMHWMZFUNNAGY-QWHCGFSZSA-N 1 3 260.385 2.379 10 0 CEAEHO NN=c1[nH]cccc1C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052718527 527288174 /nfs/dbraw/zinc/28/81/74/527288174.db2.gz VMMHWMZFUNNAGY-QWHCGFSZSA-N 1 3 260.385 2.379 10 0 CEAEHO NN=c1[nH]cccc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000052718684 527289023 /nfs/dbraw/zinc/28/90/23/527289023.db2.gz LSBKQLNSWSWEIX-CQSZACIVSA-N 1 3 268.364 2.357 10 0 CEAEHO NN=c1[nH]cccc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000052718684 527289030 /nfs/dbraw/zinc/28/90/30/527289030.db2.gz LSBKQLNSWSWEIX-CQSZACIVSA-N 1 3 268.364 2.357 10 0 CEAEHO CC(C)CN1CCC2(CC1)[NH2+]C[C@@H](C(C)C)CO2 ZINC000757150283 574510736 /nfs/dbraw/zinc/51/07/36/574510736.db2.gz PJYMONMLMRBNNF-CQSZACIVSA-N 1 3 254.418 2.327 10 0 CEAEHO COc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1C ZINC000261595554 539185444 /nfs/dbraw/zinc/18/54/44/539185444.db2.gz OGWXFPJXXIFMDJ-SOUVJXGZSA-N 1 3 260.381 2.173 10 0 CEAEHO C[C@H]([NH3+])c1ccc(CN2CCN3CCCC[C@@H]3C2)cc1 ZINC000142162270 344402580 /nfs/dbraw/zinc/40/25/80/344402580.db2.gz ZNPWFBUZGMDYTB-WMLDXEAASA-N 1 3 273.424 2.376 10 0 CEAEHO CC[C@@H]1C[N@H+](CCn2ccnc2C)[C@@](C)(CC)CN1 ZINC000085474481 179078426 /nfs/dbraw/zinc/07/84/26/179078426.db2.gz PZAMFHXWJALXEM-CABCVRRESA-N 1 3 264.417 2.044 10 0 CEAEHO CC[C@@H]1C[N@@H+](CCn2ccnc2C)[C@@](C)(CC)CN1 ZINC000085474481 179078427 /nfs/dbraw/zinc/07/84/27/179078427.db2.gz PZAMFHXWJALXEM-CABCVRRESA-N 1 3 264.417 2.044 10 0 CEAEHO C[C@H]1CCN[C@@H](C(C)(C)C)C[N@@H+]1CCCn1ccnc1 ZINC000085624045 179107384 /nfs/dbraw/zinc/10/73/84/179107384.db2.gz JQGYMJGSTJVUIK-LSDHHAIUSA-N 1 3 278.444 2.372 10 0 CEAEHO C[C@H]1CCN[C@@H](C(C)(C)C)C[N@H+]1CCCn1ccnc1 ZINC000085624045 179107386 /nfs/dbraw/zinc/10/73/86/179107386.db2.gz JQGYMJGSTJVUIK-LSDHHAIUSA-N 1 3 278.444 2.372 10 0 CEAEHO C[C@H]1CC[NH2+][C@@H](C(C)(C)C)CN1CCCn1ccnc1 ZINC000085624045 179107388 /nfs/dbraw/zinc/10/73/88/179107388.db2.gz JQGYMJGSTJVUIK-LSDHHAIUSA-N 1 3 278.444 2.372 10 0 CEAEHO FC(F)(F)COCCC[N@@H+]1CCCN[C@@H](C2CC2)C1 ZINC000085616408 179104274 /nfs/dbraw/zinc/10/42/74/179104274.db2.gz OLNUUFZNRWKUGB-GFCCVEGCSA-N 1 3 280.334 2.029 10 0 CEAEHO FC(F)(F)COCCC[N@H+]1CCCN[C@@H](C2CC2)C1 ZINC000085616408 179104275 /nfs/dbraw/zinc/10/42/75/179104275.db2.gz OLNUUFZNRWKUGB-GFCCVEGCSA-N 1 3 280.334 2.029 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@@H+]([C@@H]2CN3CCC2CC3)[C@@H](CC)CN1 ZINC000086152530 179240663 /nfs/dbraw/zinc/24/06/63/179240663.db2.gz FFUDOIQCPHCQCP-QMCVQRASSA-N 1 3 279.472 2.179 10 0 CEAEHO CC[C@H](C)[C@H]1C[N@H+]([C@@H]2CN3CCC2CC3)[C@@H](CC)CN1 ZINC000086152530 179240664 /nfs/dbraw/zinc/24/06/64/179240664.db2.gz FFUDOIQCPHCQCP-QMCVQRASSA-N 1 3 279.472 2.179 10 0 CEAEHO CCN1CCC[C@H]([N@@H+]2C[C@H](C(C)C)NC[C@@H]2C(C)C)C1 ZINC000086172545 179244016 /nfs/dbraw/zinc/24/40/16/179244016.db2.gz OOGRVYDUIZSAOC-GVDBMIGSSA-N 1 3 281.488 2.425 10 0 CEAEHO CCN1CCC[C@H]([N@H+]2C[C@H](C(C)C)NC[C@@H]2C(C)C)C1 ZINC000086172545 179244017 /nfs/dbraw/zinc/24/40/17/179244017.db2.gz OOGRVYDUIZSAOC-GVDBMIGSSA-N 1 3 281.488 2.425 10 0 CEAEHO C[C@@H]1CN([C@@H]2CCN(C3CC3)C2)[C@H](c2ccccc2)C[NH2+]1 ZINC000086173831 179244092 /nfs/dbraw/zinc/24/40/92/179244092.db2.gz NAUXHTDBOATSHJ-OLMNPRSZSA-N 1 3 285.435 2.258 10 0 CEAEHO CC[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1C[C@@H]1CCCCN1C ZINC000086173735 179244375 /nfs/dbraw/zinc/24/43/75/179244375.db2.gz SNJHGDNDPGEULX-OWCLPIDISA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1CN[C@@H](C(C)C)C[N@H+]1C[C@@H]1CCCCN1C ZINC000086173735 179244378 /nfs/dbraw/zinc/24/43/78/179244378.db2.gz SNJHGDNDPGEULX-OWCLPIDISA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CCCCN1C ZINC000086173735 179244379 /nfs/dbraw/zinc/24/43/79/179244379.db2.gz SNJHGDNDPGEULX-OWCLPIDISA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCCN1C ZINC000086259301 179258706 /nfs/dbraw/zinc/25/87/06/179258706.db2.gz CZUCADLXLOOXHZ-IKGGRYGDSA-N 1 3 279.472 2.323 10 0 CEAEHO CC[C@@H]1CN[C@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCCN1C ZINC000086259301 179258707 /nfs/dbraw/zinc/25/87/07/179258707.db2.gz CZUCADLXLOOXHZ-IKGGRYGDSA-N 1 3 279.472 2.323 10 0 CEAEHO CC[C@H]1C[NH2+][C@H](CC(C)C)CN1[C@@H]1CCN(C2CC2)C1 ZINC000086259664 179259238 /nfs/dbraw/zinc/25/92/38/179259238.db2.gz ZSWSZPBMDXOXSA-HLLBOEOZSA-N 1 3 279.472 2.322 10 0 CEAEHO C1CCC2(CC1)C[N@@H+](C1CCOCC1)CCCN2 ZINC000086287262 179264370 /nfs/dbraw/zinc/26/43/70/179264370.db2.gz MTQKAKJZCHEURL-UHFFFAOYSA-N 1 3 252.402 2.164 10 0 CEAEHO C1CCC2(CC1)C[N@H+](C1CCOCC1)CCCN2 ZINC000086287262 179264372 /nfs/dbraw/zinc/26/43/72/179264372.db2.gz MTQKAKJZCHEURL-UHFFFAOYSA-N 1 3 252.402 2.164 10 0 CEAEHO CC[C@H]1C[N@H+]([C@@H](C)CCN(C)C)[C@H](C(C)C)CN1 ZINC000086255876 179256355 /nfs/dbraw/zinc/25/63/55/179256355.db2.gz BYYASOWDHZFPHO-KKUMJFAQSA-N 1 3 255.450 2.035 10 0 CEAEHO CC[C@H]1C[N@@H+]([C@@H](C)CCN(C)C)[C@H](C(C)C)CN1 ZINC000086255876 179256357 /nfs/dbraw/zinc/25/63/57/179256357.db2.gz BYYASOWDHZFPHO-KKUMJFAQSA-N 1 3 255.450 2.035 10 0 CEAEHO CC[NH+](CC)CCc1nc2c(s1)CCC[C@@H]2N ZINC000086438889 179292925 /nfs/dbraw/zinc/29/29/25/179292925.db2.gz CZWUFIJSMACNGP-JTQLQIEISA-N 1 3 253.415 2.364 10 0 CEAEHO CN(Cc1cnc(Cl)s1)CC1CC[NH2+]CC1 ZINC000086778017 179330373 /nfs/dbraw/zinc/33/03/73/179330373.db2.gz NKDDTZYEWLKRAZ-UHFFFAOYSA-N 1 3 259.806 2.228 10 0 CEAEHO C[C@H](N[C@H]1CCC[N@H+](C)CC1)c1ccc(NC(N)=O)cc1 ZINC000086818561 179346700 /nfs/dbraw/zinc/34/67/00/179346700.db2.gz JMAAWMPIOYBSJO-JSGCOSHPSA-N 1 3 290.411 2.312 10 0 CEAEHO C[C@H](N[C@H]1CCC[N@@H+](C)CC1)c1ccc(NC(N)=O)cc1 ZINC000086818561 179346702 /nfs/dbraw/zinc/34/67/02/179346702.db2.gz JMAAWMPIOYBSJO-JSGCOSHPSA-N 1 3 290.411 2.312 10 0 CEAEHO CCCCC[N@H+](C)[C@]1(CN)CCCN(CC)CC1 ZINC000086846889 179356106 /nfs/dbraw/zinc/35/61/06/179356106.db2.gz QNRGLFXFMXGFNB-OAHLLOKOSA-N 1 3 255.450 2.312 10 0 CEAEHO CCCCC[N@@H+](C)[C@]1(CN)CCCN(CC)CC1 ZINC000086846889 179356107 /nfs/dbraw/zinc/35/61/07/179356107.db2.gz QNRGLFXFMXGFNB-OAHLLOKOSA-N 1 3 255.450 2.312 10 0 CEAEHO CCN1CCC[C@H]([NH2+][C@@H](C)c2cnn(C)c2C)CC1 ZINC000086840645 179353877 /nfs/dbraw/zinc/35/38/77/179353877.db2.gz GSFGVPVUUNVOOJ-JSGCOSHPSA-N 1 3 264.417 2.254 10 0 CEAEHO CN(C)CCN(C)[C@]1(C[NH3+])CCCC(C)(C)CC1 ZINC000086913671 179367209 /nfs/dbraw/zinc/36/72/09/179367209.db2.gz SCIRPOOZIZOKHS-OAHLLOKOSA-N 1 3 255.450 2.168 10 0 CEAEHO CN(C)CC[N@H+](C)[C@]1(CN)CCCC(C)(C)CC1 ZINC000086913671 179367210 /nfs/dbraw/zinc/36/72/10/179367210.db2.gz SCIRPOOZIZOKHS-OAHLLOKOSA-N 1 3 255.450 2.168 10 0 CEAEHO CN(C)CC[N@@H+](C)[C@]1(CN)CCCC(C)(C)CC1 ZINC000086913671 179367211 /nfs/dbraw/zinc/36/72/11/179367211.db2.gz SCIRPOOZIZOKHS-OAHLLOKOSA-N 1 3 255.450 2.168 10 0 CEAEHO CC1CCC(O)(CNCC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000087062331 179389626 /nfs/dbraw/zinc/38/96/26/179389626.db2.gz FSYIHGQKUVACIW-HWOWSKLDSA-N 1 3 268.445 2.392 10 0 CEAEHO CC1CCC(O)(CNCC[C@H]2CCCC[N@H+]2C)CC1 ZINC000087062331 179389628 /nfs/dbraw/zinc/38/96/28/179389628.db2.gz FSYIHGQKUVACIW-HWOWSKLDSA-N 1 3 268.445 2.392 10 0 CEAEHO CCCN[C@H]1COC[C@H]1C[NH2+]C1(C)CCCCC1 ZINC000090566665 180006381 /nfs/dbraw/zinc/00/63/81/180006381.db2.gz MSOYEZYYJSNWCO-KGLIPLIRSA-N 1 3 254.418 2.313 10 0 CEAEHO c1ccc(C2(CN3C[C@H]4CC[C@@H](C3)O4)CC[NH2+]CC2)cc1 ZINC000090908697 180062133 /nfs/dbraw/zinc/06/21/33/180062133.db2.gz STJFLEFIXXYCCM-CALCHBBNSA-N 1 3 286.419 2.171 10 0 CEAEHO C[C@H]1CC[C@H](C[NH3+])CN1Cc1c[nH]c2ncccc12 ZINC000091019756 180088018 /nfs/dbraw/zinc/08/80/18/180088018.db2.gz AIXBXWJPZJSOMR-NWDGAFQWSA-N 1 3 258.369 2.122 10 0 CEAEHO CCC1CCC([N@H+](C)CC[C@H]2CNCCO2)CC1 ZINC000091313877 180132502 /nfs/dbraw/zinc/13/25/02/180132502.db2.gz BBEXGRNVPGBBMP-NRXISQOPSA-N 1 3 254.418 2.266 10 0 CEAEHO CCC1CCC([N@@H+](C)CC[C@H]2CNCCO2)CC1 ZINC000091313877 180132504 /nfs/dbraw/zinc/13/25/04/180132504.db2.gz BBEXGRNVPGBBMP-NRXISQOPSA-N 1 3 254.418 2.266 10 0 CEAEHO C(C[N@@H+]1CCC[C@H]2CCC[C@H]21)[C@@H]1CSCCN1 ZINC000091292358 180123534 /nfs/dbraw/zinc/12/35/34/180123534.db2.gz ZJVQHYJTEPZKIQ-MGPQQGTHSA-N 1 3 254.443 2.346 10 0 CEAEHO C(C[N@H+]1CCC[C@H]2CCC[C@H]21)[C@@H]1CSCCN1 ZINC000091292358 180123535 /nfs/dbraw/zinc/12/35/35/180123535.db2.gz ZJVQHYJTEPZKIQ-MGPQQGTHSA-N 1 3 254.443 2.346 10 0 CEAEHO Cc1nc(N2CCC[C@@H]([NH+](C)C)C2)sc1[C@@H](C)N ZINC000091429761 180153045 /nfs/dbraw/zinc/15/30/45/180153045.db2.gz OJSVYOYPGKJCFE-MWLCHTKSSA-N 1 3 268.430 2.002 10 0 CEAEHO CC(C)[NH2+]CC1(CN(C)CC2CC(O)C2)CCCC1 ZINC000091489602 180169251 /nfs/dbraw/zinc/16/92/51/180169251.db2.gz KONCBPJKLABYPU-UHFFFAOYSA-N 1 3 268.445 2.248 10 0 CEAEHO CC[C@@H](C)N1CCN(CC(C)(C)[C@@H](C)[NH2+]C)CC1 ZINC000091404647 180146850 /nfs/dbraw/zinc/14/68/50/180146850.db2.gz PRKSOUSUYKABIU-ZIAGYGMSSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[NH2+][C@@H](C)C(C)(C)CN(C)C[C@@H]1CCCOC1 ZINC000091405173 180147267 /nfs/dbraw/zinc/14/72/67/180147267.db2.gz ZJMUUKNIVNLMSG-KBPBESRZSA-N 1 3 256.434 2.369 10 0 CEAEHO CC[NH2+][C@@H](C)C(C)(C)CN1CCN([C@@H](C)CC)CC1 ZINC000091404646 180147456 /nfs/dbraw/zinc/14/74/56/180147456.db2.gz AZFIQVPYAYNIMT-GJZGRUSLSA-N 1 3 269.477 2.427 10 0 CEAEHO CN[C@@H](Cc1ccnc(N)c1)C1([NH+]2CCCC2)CCCC1 ZINC000091640862 180213479 /nfs/dbraw/zinc/21/34/79/180213479.db2.gz JYYRGBNRGWDLEI-HNNXBMFYSA-N 1 3 288.439 2.203 10 0 CEAEHO CCN(Cc1cc(C)c(C(=O)OC)o1)C1CCC([NH3+])CC1 ZINC000091851022 180272529 /nfs/dbraw/zinc/27/25/29/180272529.db2.gz PDBIEQGSQKBOMJ-UHFFFAOYSA-N 1 3 294.395 2.466 10 0 CEAEHO C[NH2+]C1CCC(N(C)CC(=O)Nc2cccc(F)c2)CC1 ZINC000091870491 180277289 /nfs/dbraw/zinc/27/72/89/180277289.db2.gz VVWHXRUEXXUPII-UHFFFAOYSA-N 1 3 293.386 2.227 10 0 CEAEHO CC[NH2+]C1CCC(N(C)[C@H](C)C(=O)N(CC)CC)CC1 ZINC000091870353 180277497 /nfs/dbraw/zinc/27/74/97/180277497.db2.gz VXXWGPZYEOCUIJ-WLYUNCDWSA-N 1 3 283.460 2.096 10 0 CEAEHO CCN1CCC(O)(C2(C[NH3+])CCC(C)(C)CC2)CC1 ZINC000091906284 180283875 /nfs/dbraw/zinc/28/38/75/180283875.db2.gz IJUVUPJCHFPXRL-UHFFFAOYSA-N 1 3 268.445 2.379 10 0 CEAEHO CC(C)NCc1cccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000092003457 180304554 /nfs/dbraw/zinc/30/45/54/180304554.db2.gz NWRKHQLHJUNSKE-CVEARBPZSA-N 1 3 288.439 2.253 10 0 CEAEHO CC(C)NCc1cccc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000092003457 180304555 /nfs/dbraw/zinc/30/45/55/180304555.db2.gz NWRKHQLHJUNSKE-CVEARBPZSA-N 1 3 288.439 2.253 10 0 CEAEHO C[C@H]1C[N@H+](CCC(=O)Nc2cccc(CN)c2)C[C@H]1C ZINC000092082096 180319539 /nfs/dbraw/zinc/31/95/39/180319539.db2.gz VSZIKZGBJOKAFQ-BETUJISGSA-N 1 3 275.396 2.062 10 0 CEAEHO C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(CN)c2)C[C@H]1C ZINC000092082096 180319541 /nfs/dbraw/zinc/31/95/41/180319541.db2.gz VSZIKZGBJOKAFQ-BETUJISGSA-N 1 3 275.396 2.062 10 0 CEAEHO C[N@H+](C[C@@H]1Cc2ccccc2S1)C1CCNCC1 ZINC000092267643 180355961 /nfs/dbraw/zinc/35/59/61/180355961.db2.gz GRSICLNMTXAPBM-AWEZNQCLSA-N 1 3 262.422 2.387 10 0 CEAEHO C[N@@H+](C[C@@H]1Cc2ccccc2S1)C1CCNCC1 ZINC000092267643 180355962 /nfs/dbraw/zinc/35/59/62/180355962.db2.gz GRSICLNMTXAPBM-AWEZNQCLSA-N 1 3 262.422 2.387 10 0 CEAEHO CCC[NH2+]C[C@@H](C)Cc1c(C)nn(CCN(C)C)c1C ZINC000092323010 180362441 /nfs/dbraw/zinc/36/24/41/180362441.db2.gz DODGGIJSAZKLJE-ZDUSSCGKSA-N 1 3 280.460 2.240 10 0 CEAEHO COc1ccc2c(c1)[C@H](N1C[C@H]3C[NH2+]C[C@@H]3C1)CCC2 ZINC000092387322 180374454 /nfs/dbraw/zinc/37/44/54/180374454.db2.gz YPTIBYLRSCGBHN-CKEIUWERSA-N 1 3 272.392 2.224 10 0 CEAEHO CSC1(C[NH3+])CCN(Cc2cccc(C)n2)CC1 ZINC000092427987 180383178 /nfs/dbraw/zinc/38/31/78/180383178.db2.gz OPIOOGIXEBCMDV-UHFFFAOYSA-N 1 3 265.426 2.046 10 0 CEAEHO Clc1ccc(CCNC[C@@H]2CCC[NH2+]C2)cc1 ZINC000107792289 186191460 /nfs/dbraw/zinc/19/14/60/186191460.db2.gz LXTGQHOPIZJLGP-CYBMUJFWSA-N 1 3 252.789 2.472 10 0 CEAEHO Clc1ccc(CC[NH2+]C[C@@H]2CCCNC2)cc1 ZINC000107792289 186191462 /nfs/dbraw/zinc/19/14/62/186191462.db2.gz LXTGQHOPIZJLGP-CYBMUJFWSA-N 1 3 252.789 2.472 10 0 CEAEHO CC[NH2+][C@H]1CCC[C@H]1c1nc(CCN(CC)CC)no1 ZINC000109496095 186257002 /nfs/dbraw/zinc/25/70/02/186257002.db2.gz CVYBPTWUANEQKE-OLZOCXBDSA-N 1 3 280.416 2.200 10 0 CEAEHO CCOc1cc(CN2CCC([C@H](C)[NH3+])CC2)ccc1O ZINC000110644501 186308232 /nfs/dbraw/zinc/30/82/32/186308232.db2.gz DYLWTSXPYOZVOD-LBPRGKRZSA-N 1 3 278.396 2.350 10 0 CEAEHO Cc1nn(C)c(C)c1[C@H](C)N1CCC([C@@H](C)[NH3+])CC1 ZINC000110645663 186308756 /nfs/dbraw/zinc/30/87/56/186308756.db2.gz NIEIIUUVBVBRJP-MFKMUULPSA-N 1 3 264.417 2.157 10 0 CEAEHO CCNC[C@@]1(C[N@H+](C)CC2CCCC2)CCOC1 ZINC000110842075 186328916 /nfs/dbraw/zinc/32/89/16/186328916.db2.gz JKAYJEWFUOJDIT-OAHLLOKOSA-N 1 3 254.418 2.125 10 0 CEAEHO CCNC[C@@]1(C[N@@H+](C)CC2CCCC2)CCOC1 ZINC000110842075 186328917 /nfs/dbraw/zinc/32/89/17/186328917.db2.gz JKAYJEWFUOJDIT-OAHLLOKOSA-N 1 3 254.418 2.125 10 0 CEAEHO CC[NH2+]C[C@@]1(CN(C)CC2CCCC2)CCOC1 ZINC000110842075 186328919 /nfs/dbraw/zinc/32/89/19/186328919.db2.gz JKAYJEWFUOJDIT-OAHLLOKOSA-N 1 3 254.418 2.125 10 0 CEAEHO CCN1CCN([C@@H](C[NH3+])c2cccc(C)c2C)C[C@@H]1C ZINC000110708816 186315791 /nfs/dbraw/zinc/31/57/91/186315791.db2.gz JFEVRQCILVGLHR-YOEHRIQHSA-N 1 3 275.440 2.329 10 0 CEAEHO Cc1ccc([C@H](C[NH3+])N2CCN(C)C(C)(C)C2)cc1C ZINC000110711573 186316157 /nfs/dbraw/zinc/31/61/57/186316157.db2.gz YOQNYQAMXDABHW-INIZCTEOSA-N 1 3 275.440 2.329 10 0 CEAEHO CC[NH2+][C@@H](CCN1CCN(C)[C@@H](CC)C1)C(C)(C)C ZINC000110746171 186318774 /nfs/dbraw/zinc/31/87/74/186318774.db2.gz BYCDGCBRIYQKML-GJZGRUSLSA-N 1 3 269.477 2.427 10 0 CEAEHO CC[C@H]1CN(CC[NH2+]CCC(C)(C)C)CCN1C ZINC000110757515 186321058 /nfs/dbraw/zinc/32/10/58/186321058.db2.gz GIFOHONEDZZHHE-AWEZNQCLSA-N 1 3 255.450 2.038 10 0 CEAEHO CC(C)[NH2+]Cc1ccccc1CN1CCN(C)[C@@H](C)C1 ZINC000110752275 186321818 /nfs/dbraw/zinc/32/18/18/186321818.db2.gz JXRIEAKKFWVBBL-HNNXBMFYSA-N 1 3 275.440 2.321 10 0 CEAEHO Cc1ccc([C@@H](CN)N(C)CCC[NH+](C)C)cc1F ZINC000111133549 186356094 /nfs/dbraw/zinc/35/60/94/186356094.db2.gz UHJDZWQLJYIGFC-OAHLLOKOSA-N 1 3 267.392 2.017 10 0 CEAEHO CN(C)CCN(C)[C@@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000111132405 186356639 /nfs/dbraw/zinc/35/66/39/186356639.db2.gz BLKADLMTDWPAHW-LBPRGKRZSA-N 1 3 290.238 2.487 10 0 CEAEHO CC(C)C[NH2+]Cc1ccccc1N(C)CCN(C)C ZINC000111140595 186356945 /nfs/dbraw/zinc/35/69/45/186356945.db2.gz ZCXBVYZXEYPBIW-UHFFFAOYSA-N 1 3 263.429 2.430 10 0 CEAEHO CN[C@H](CN(C)CCC[NH+](C)C)c1cc(C)ccc1OC ZINC000111135905 186357003 /nfs/dbraw/zinc/35/70/03/186357003.db2.gz CJCTYKUSFJAHFT-MRXNPFEDSA-N 1 3 293.455 2.148 10 0 CEAEHO CC[NH2+][C@@H]1CCCCCC[C@H]1N(C)CCN(C)C ZINC000111135485 186357240 /nfs/dbraw/zinc/35/72/40/186357240.db2.gz DKURWPHEWYPGDV-HUUCEWRRSA-N 1 3 255.450 2.181 10 0 CEAEHO CCCc1ccc([C@@H](CN(C)CCN(C)C)[NH2+]C)cc1 ZINC000111134890 186357317 /nfs/dbraw/zinc/35/73/17/186357317.db2.gz UALHHFIOZNFBDS-QGZVFWFLSA-N 1 3 277.456 2.393 10 0 CEAEHO CC[NH2+][C@H](CCN(C)CCN(C)C)c1cccc(F)c1 ZINC000111147479 186358262 /nfs/dbraw/zinc/35/82/62/186358262.db2.gz GTQWTHCALZZHTF-MRXNPFEDSA-N 1 3 281.419 2.360 10 0 CEAEHO CN(C)CCN(C)CC[C@H]([NH3+])c1cccc(Cl)c1 ZINC000111147072 186359504 /nfs/dbraw/zinc/35/95/04/186359504.db2.gz KZYXBCLKWKQVNU-AWEZNQCLSA-N 1 3 269.820 2.223 10 0 CEAEHO C[NH2+][C@@H](CCN(C)CCN(C)C)c1ccc(C)cc1 ZINC000111147048 186359566 /nfs/dbraw/zinc/35/95/66/186359566.db2.gz PYTJAHRMKRBEDC-INIZCTEOSA-N 1 3 263.429 2.139 10 0 CEAEHO CN(C)CCC[N@H+](C)CCNc1ccccc1F ZINC000111150985 186360020 /nfs/dbraw/zinc/36/00/20/186360020.db2.gz DGHHJECPLRMPAT-UHFFFAOYSA-N 1 3 253.365 2.121 10 0 CEAEHO CN(C)CCC[N@@H+](C)CCNc1ccccc1F ZINC000111150985 186360021 /nfs/dbraw/zinc/36/00/21/186360021.db2.gz DGHHJECPLRMPAT-UHFFFAOYSA-N 1 3 253.365 2.121 10 0 CEAEHO CC(C)(C)[NH2+]C[C@@H]1CCN(CC2CCOCC2)C1 ZINC000111164417 186364053 /nfs/dbraw/zinc/36/40/53/186364053.db2.gz VFTGSTYFHIXNQP-AWEZNQCLSA-N 1 3 254.418 2.123 10 0 CEAEHO CCC(CC)(C[NH2+]C)CN(C)C[C@H]1CCCOC1 ZINC000111171616 186365686 /nfs/dbraw/zinc/36/56/86/186365686.db2.gz OEHWSPYFDGUMME-CQSZACIVSA-N 1 3 256.434 2.371 10 0 CEAEHO CCC(CC)(CNC)C[N@H+](C)C[C@H]1CCCOC1 ZINC000111171616 186365687 /nfs/dbraw/zinc/36/56/87/186365687.db2.gz OEHWSPYFDGUMME-CQSZACIVSA-N 1 3 256.434 2.371 10 0 CEAEHO CCC(CC)(CNC)C[N@@H+](C)C[C@H]1CCCOC1 ZINC000111171616 186365689 /nfs/dbraw/zinc/36/56/89/186365689.db2.gz OEHWSPYFDGUMME-CQSZACIVSA-N 1 3 256.434 2.371 10 0 CEAEHO CCC(CC)(C[NH2+]C)CN(C)C[C@@H]1CCCOC1 ZINC000111171613 186365940 /nfs/dbraw/zinc/36/59/40/186365940.db2.gz OEHWSPYFDGUMME-AWEZNQCLSA-N 1 3 256.434 2.371 10 0 CEAEHO CCC(CC)(CNC)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111171613 186365942 /nfs/dbraw/zinc/36/59/42/186365942.db2.gz OEHWSPYFDGUMME-AWEZNQCLSA-N 1 3 256.434 2.371 10 0 CEAEHO CCC(CC)(CNC)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111171613 186365943 /nfs/dbraw/zinc/36/59/43/186365943.db2.gz OEHWSPYFDGUMME-AWEZNQCLSA-N 1 3 256.434 2.371 10 0 CEAEHO CC(C)C[N@H+](C)C[C@@]1(CNC2CC2)CCCOC1 ZINC000111324863 186398541 /nfs/dbraw/zinc/39/85/41/186398541.db2.gz RRDLYQSGPKUUKN-HNNXBMFYSA-N 1 3 254.418 2.123 10 0 CEAEHO CC(C)C[N@@H+](C)C[C@@]1(CNC2CC2)CCCOC1 ZINC000111324863 186398543 /nfs/dbraw/zinc/39/85/43/186398543.db2.gz RRDLYQSGPKUUKN-HNNXBMFYSA-N 1 3 254.418 2.123 10 0 CEAEHO CC(C)CN(C)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111324863 186398545 /nfs/dbraw/zinc/39/85/45/186398545.db2.gz RRDLYQSGPKUUKN-HNNXBMFYSA-N 1 3 254.418 2.123 10 0 CEAEHO CC[N@H+](C[C@]1(CNC2CC2)CCCOC1)C(C)C ZINC000111324777 186398994 /nfs/dbraw/zinc/39/89/94/186398994.db2.gz QQERPWURCPDVMY-OAHLLOKOSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[N@@H+](C[C@]1(CNC2CC2)CCCOC1)C(C)C ZINC000111324777 186398996 /nfs/dbraw/zinc/39/89/96/186398996.db2.gz QQERPWURCPDVMY-OAHLLOKOSA-N 1 3 254.418 2.266 10 0 CEAEHO CCN(C[C@]1(C[NH2+]C2CC2)CCCOC1)C(C)C ZINC000111324777 186398998 /nfs/dbraw/zinc/39/89/98/186398998.db2.gz QQERPWURCPDVMY-OAHLLOKOSA-N 1 3 254.418 2.266 10 0 CEAEHO CN(C[C@]1(C[NH2+]C(C)(C)C)CCCOC1)C1CCOCC1 ZINC000111325768 186399277 /nfs/dbraw/zinc/39/92/77/186399277.db2.gz FOAFQYMRNRCKKK-QGZVFWFLSA-N 1 3 298.471 2.282 10 0 CEAEHO COCC[N@H+](CC(C)C)C[C@]1(CNC2CC2)CCCOC1 ZINC000111326496 186399304 /nfs/dbraw/zinc/39/93/04/186399304.db2.gz SZYBHZYSSLNDHK-QGZVFWFLSA-N 1 3 298.471 2.140 10 0 CEAEHO COCC[N@@H+](CC(C)C)C[C@]1(CNC2CC2)CCCOC1 ZINC000111326496 186399305 /nfs/dbraw/zinc/39/93/05/186399305.db2.gz SZYBHZYSSLNDHK-QGZVFWFLSA-N 1 3 298.471 2.140 10 0 CEAEHO COCCN(CC(C)C)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111326496 186399306 /nfs/dbraw/zinc/39/93/06/186399306.db2.gz SZYBHZYSSLNDHK-QGZVFWFLSA-N 1 3 298.471 2.140 10 0 CEAEHO CO[C@H]1CN(CCC(C)(C)C2CC2)[C@](C)(C[NH3+])C1 ZINC000630369556 351714656 /nfs/dbraw/zinc/71/46/56/351714656.db2.gz WJHCKBUZBGMYIT-HIFRSBDPSA-N 1 3 254.418 2.251 10 0 CEAEHO C[C@H]([NH2+]CCCN(C)c1ccccc1)[C@H]1CCCNC1 ZINC000570077246 299236577 /nfs/dbraw/zinc/23/65/77/299236577.db2.gz RLBPNHWTMNVZOC-HOTGVXAUSA-N 1 3 275.440 2.491 10 0 CEAEHO N[C@H](CCC[NH3+])c1c(F)cccc1Br ZINC000575440011 366287927 /nfs/dbraw/zinc/28/79/27/366287927.db2.gz RENCLGXGBSWUHP-SECBINFHSA-N 1 3 261.138 2.327 10 0 CEAEHO C[C@H]1CN(CCCOc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000631842622 367583259 /nfs/dbraw/zinc/58/32/59/367583259.db2.gz CTTDDKRSKVHHFW-QWHCGFSZSA-N 1 3 266.360 2.121 10 0 CEAEHO C[C@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@H]1CN ZINC000631842622 367583266 /nfs/dbraw/zinc/58/32/66/367583266.db2.gz CTTDDKRSKVHHFW-QWHCGFSZSA-N 1 3 266.360 2.121 10 0 CEAEHO C[C@H]1C[N@@H+](CCCOc2ccc(F)cc2)C[C@H]1CN ZINC000631842622 367583271 /nfs/dbraw/zinc/58/32/71/367583271.db2.gz CTTDDKRSKVHHFW-QWHCGFSZSA-N 1 3 266.360 2.121 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc4ncccc4c3)C[C@H]12 ZINC000261765186 371724245 /nfs/dbraw/zinc/72/42/45/371724245.db2.gz OCTVSOGPCIZWNQ-OWCLPIDISA-N 1 3 267.376 2.404 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(OC(F)F)cc3)C[C@H]12 ZINC000261844831 371747251 /nfs/dbraw/zinc/74/72/51/371747251.db2.gz WBETWCVKQSJNIF-KWCYVHTRSA-N 1 3 282.334 2.457 10 0 CEAEHO C(C1CC[NH2+]CC1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000262274971 371846075 /nfs/dbraw/zinc/84/60/75/371846075.db2.gz SZDWUOMKZLPEHB-CQSZACIVSA-N 1 3 290.411 2.126 10 0 CEAEHO CC[N@H+](CCO)CCNc1cc(C)nc2ccccc21 ZINC000302222754 379335517 /nfs/dbraw/zinc/33/55/17/379335517.db2.gz OVSHJVLDNWEWKN-UHFFFAOYSA-N 1 3 273.380 2.269 10 0 CEAEHO CC[N@@H+](CCO)CCNc1cc(C)nc2ccccc21 ZINC000302222754 379335522 /nfs/dbraw/zinc/33/55/22/379335522.db2.gz OVSHJVLDNWEWKN-UHFFFAOYSA-N 1 3 273.380 2.269 10 0 CEAEHO CC[N@H+](CCO)CCNc1ccnc2c(C)cccc12 ZINC000302227505 379337739 /nfs/dbraw/zinc/33/77/39/379337739.db2.gz UPFVRBQZASYBFH-UHFFFAOYSA-N 1 3 273.380 2.269 10 0 CEAEHO CC[N@@H+](CCO)CCNc1ccnc2c(C)cccc12 ZINC000302227505 379337749 /nfs/dbraw/zinc/33/77/49/379337749.db2.gz UPFVRBQZASYBFH-UHFFFAOYSA-N 1 3 273.380 2.269 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C)[C@@H](C)C[NH2+]C(C)C)CC1 ZINC000093070153 184646461 /nfs/dbraw/zinc/64/64/61/184646461.db2.gz YEEZLRKVVVYXJX-HRCADAONSA-N 1 3 269.477 2.425 10 0 CEAEHO CCN(CC1CC[NH2+]CC1)C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000094022541 184750727 /nfs/dbraw/zinc/75/07/27/184750727.db2.gz VEEDLQKDWWBVSX-KKUMJFAQSA-N 1 3 295.471 2.096 10 0 CEAEHO CC(C)NCc1cccc(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC000091432342 135069867 /nfs/dbraw/zinc/06/98/67/135069867.db2.gz UFCMCKQMCMFONV-HNNXBMFYSA-N 1 3 276.428 2.110 10 0 CEAEHO Cc1cc(C)c(C[NH3+])c(N2C[C@@H]3CCCCN3C[C@@H]2C)n1 ZINC000094443290 135088472 /nfs/dbraw/zinc/08/84/72/135088472.db2.gz LEFXROYZHMAUCF-GJZGRUSLSA-N 1 3 288.439 2.220 10 0 CEAEHO CC[NH2+]Cc1cccnc1N1C[C@H]2CCCCN2C[C@@H]1C ZINC000094443293 135088904 /nfs/dbraw/zinc/08/89/04/135088904.db2.gz GXUIRCXJSCIMRK-GOEBONIOSA-N 1 3 288.439 2.254 10 0 CEAEHO CCC[C@@](C)(N)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000262718190 153974727 /nfs/dbraw/zinc/97/47/27/153974727.db2.gz XGYFRFAOGGLHAX-MRXNPFEDSA-N 1 3 283.460 2.084 10 0 CEAEHO O[C@@H](CNc1ccnc2ccccc21)C[NH+]1CCCCC1 ZINC000174685875 165115852 /nfs/dbraw/zinc/11/58/52/165115852.db2.gz AZJSPSYESIRWID-AWEZNQCLSA-N 1 3 285.391 2.494 10 0 CEAEHO CCCCCC[C@](C)(C[NH3+])N1CCCN(C)CC1 ZINC000020520454 171233926 /nfs/dbraw/zinc/23/39/26/171233926.db2.gz IUEQAMGFAQIVGK-OAHLLOKOSA-N 1 3 255.450 2.312 10 0 CEAEHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCCC[C@H]1CO ZINC000261569612 298877764 /nfs/dbraw/zinc/87/77/64/298877764.db2.gz NBGFGIVRPXWZMQ-UGUYLWEFSA-N 1 3 268.445 2.438 10 0 CEAEHO CC[C@H](C)C[N@H+](C)C1(CN)CCN(C(C)C)CC1 ZINC000037172721 173006618 /nfs/dbraw/zinc/00/66/18/173006618.db2.gz IYMBVJFEEUSMNK-AWEZNQCLSA-N 1 3 255.450 2.166 10 0 CEAEHO CC[C@H](C)C[N@@H+](C)C1(CN)CCN(C(C)C)CC1 ZINC000037172721 173006619 /nfs/dbraw/zinc/00/66/19/173006619.db2.gz IYMBVJFEEUSMNK-AWEZNQCLSA-N 1 3 255.450 2.166 10 0 CEAEHO CN1CC[C@@H](C[NH2+]Cc2cccc(Br)c2)C1 ZINC000037484578 173228831 /nfs/dbraw/zinc/22/88/31/173228831.db2.gz WECHEBPGFWKSRF-LBPRGKRZSA-N 1 3 283.213 2.490 10 0 CEAEHO NC[C@@H](c1ccco1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693739 174377719 /nfs/dbraw/zinc/37/77/19/174377719.db2.gz NICGZGXBDHNTON-HNNXBMFYSA-N 1 3 277.412 2.230 10 0 CEAEHO Cc1cc(CN2[C@@H]3CC[C@H]2CC([NH3+])C3)cc(C)c1O ZINC000040749193 174393802 /nfs/dbraw/zinc/39/38/02/174393802.db2.gz QIVUYGGUZSBSPF-GOOCMWNKSA-N 1 3 260.381 2.463 10 0 CEAEHO CCO[C@@H]1C[N@H+](CC2CCC(C)CC2)C[C@H]1CN ZINC000405872827 414796642 /nfs/dbraw/zinc/79/66/42/414796642.db2.gz RCLBDAPJDYJWOD-NEXFUWMNSA-N 1 3 254.418 2.108 10 0 CEAEHO CCO[C@@H]1C[N@@H+](CC2CCC(C)CC2)C[C@H]1CN ZINC000405872827 414796646 /nfs/dbraw/zinc/79/66/46/414796646.db2.gz RCLBDAPJDYJWOD-NEXFUWMNSA-N 1 3 254.418 2.108 10 0 CEAEHO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCCN(C)CC1 ZINC000043363933 175024649 /nfs/dbraw/zinc/02/46/49/175024649.db2.gz FKODOIFEQZKTHS-HIFRSBDPSA-N 1 3 265.401 2.004 10 0 CEAEHO C[NH2+][C@@H]1CCCCCC[C@H]1N(C)C1CCN(C)CC1 ZINC000043815199 175111965 /nfs/dbraw/zinc/11/19/65/175111965.db2.gz SCWLORNUSLFJRL-HZPDHXFCSA-N 1 3 267.461 2.323 10 0 CEAEHO C[NH2+][C@H](CN1CCCN(C)CC1)c1ccc(C)cc1C ZINC000043818149 175113420 /nfs/dbraw/zinc/11/34/20/175113420.db2.gz JSSJPJRATWLNSL-QGZVFWFLSA-N 1 3 275.440 2.201 10 0 CEAEHO C[NH2+][C@H](c1ccccc1)[C@@H](C)N1CCN(C(C)C)CC1 ZINC000043896874 175119539 /nfs/dbraw/zinc/11/95/39/175119539.db2.gz OMYFSVLEMPZRJL-WBVHZDCISA-N 1 3 275.440 2.362 10 0 CEAEHO C[N@@H+]1CC[C@H](CN[C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747328 175243305 /nfs/dbraw/zinc/24/33/05/175243305.db2.gz WIXDUPCQTNTCEU-MLGOLLRUSA-N 1 3 260.381 2.311 10 0 CEAEHO C[N@H+]1CC[C@H](CN[C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747328 175243307 /nfs/dbraw/zinc/24/33/07/175243307.db2.gz WIXDUPCQTNTCEU-MLGOLLRUSA-N 1 3 260.381 2.311 10 0 CEAEHO CC[C@H](C[NH3+])C(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000044798069 175254538 /nfs/dbraw/zinc/25/45/38/175254538.db2.gz GVGKBUMWKQYCSG-ZBFHGGJFSA-N 1 3 291.439 2.171 10 0 CEAEHO C[NH2+][C@@H](C)c1cccc(NC(=O)NC[C@H](C)N(C)C)c1 ZINC000045113985 175311261 /nfs/dbraw/zinc/31/12/61/175311261.db2.gz VMBXJTDAXSXPQT-RYUDHWBXSA-N 1 3 278.400 2.039 10 0 CEAEHO CC[C@@H]1CCC[C@](CN)([N@@H+]2CC[C@H](N3CCCC3)C2)C1 ZINC000071124827 176034878 /nfs/dbraw/zinc/03/48/78/176034878.db2.gz NNTOKWSDWXDTNB-IKGGRYGDSA-N 1 3 279.472 2.454 10 0 CEAEHO CC[C@@H]1CCC[C@](CN)([N@H+]2CC[C@H](N3CCCC3)C2)C1 ZINC000071124827 176034879 /nfs/dbraw/zinc/03/48/79/176034879.db2.gz NNTOKWSDWXDTNB-IKGGRYGDSA-N 1 3 279.472 2.454 10 0 CEAEHO CC[C@@H]1CCCC[C@]1(C[NH3+])N1CCN(CC2CC2)CC1 ZINC000071161862 176046148 /nfs/dbraw/zinc/04/61/48/176046148.db2.gz NLSJIXQXJNXJEJ-IAGOWNOFSA-N 1 3 279.472 2.312 10 0 CEAEHO CCC[C@@H]1CC[C@H](CN)[C@H]([N@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071188218 176062591 /nfs/dbraw/zinc/06/25/91/176062591.db2.gz QQFJLNSMDZZAGG-QBPKDAKJSA-N 1 3 281.488 2.414 10 0 CEAEHO CCC[C@@H]1CC[C@H](CN)[C@H]([N@@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071188218 176062592 /nfs/dbraw/zinc/06/25/92/176062592.db2.gz QQFJLNSMDZZAGG-QBPKDAKJSA-N 1 3 281.488 2.414 10 0 CEAEHO CN1CC[C@H](C[N@H+](C)C2(CN)CCCCCCC2)C1 ZINC000071188560 176062595 /nfs/dbraw/zinc/06/25/95/176062595.db2.gz XCKWCHHIPJEWBS-HNNXBMFYSA-N 1 3 267.461 2.312 10 0 CEAEHO CN1CC[C@H](C[N@@H+](C)C2(CN)CCCCCCC2)C1 ZINC000071188560 176062596 /nfs/dbraw/zinc/06/25/96/176062596.db2.gz XCKWCHHIPJEWBS-HNNXBMFYSA-N 1 3 267.461 2.312 10 0 CEAEHO CC[C@H]([C@@H](O)c1ccccc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190588 176066171 /nfs/dbraw/zinc/06/61/71/176066171.db2.gz FLUJEAHBDVTLQY-OIISXLGYSA-N 1 3 276.424 2.382 10 0 CEAEHO CC[C@H]([C@@H](O)c1ccccc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190588 176066172 /nfs/dbraw/zinc/06/61/72/176066172.db2.gz FLUJEAHBDVTLQY-OIISXLGYSA-N 1 3 276.424 2.382 10 0 CEAEHO CN(C[C@@H]1CC[N@H+](C)C1)c1ccnc(CNC(C)(C)C)c1 ZINC000071191636 176070804 /nfs/dbraw/zinc/07/08/04/176070804.db2.gz ZVRNNIQNDDXAAU-CQSZACIVSA-N 1 3 290.455 2.358 10 0 CEAEHO CN(C[C@@H]1CC[N@@H+](C)C1)c1ccnc(CNC(C)(C)C)c1 ZINC000071191636 176070806 /nfs/dbraw/zinc/07/08/06/176070806.db2.gz ZVRNNIQNDDXAAU-CQSZACIVSA-N 1 3 290.455 2.358 10 0 CEAEHO CCCNCc1oc(CN(C)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC000071192036 176071275 /nfs/dbraw/zinc/07/12/75/176071275.db2.gz YHMDVJWDYNPZRG-OAHLLOKOSA-N 1 3 293.455 2.471 10 0 CEAEHO CCCNCc1oc(CN(C)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC000071192036 176071277 /nfs/dbraw/zinc/07/12/77/176071277.db2.gz YHMDVJWDYNPZRG-OAHLLOKOSA-N 1 3 293.455 2.471 10 0 CEAEHO Cc1oc(CNC2CC2)cc1CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071192077 176073508 /nfs/dbraw/zinc/07/35/08/176073508.db2.gz MDKYDJMSXOBXQH-AWEZNQCLSA-N 1 3 291.439 2.224 10 0 CEAEHO Cc1oc(CNC2CC2)cc1CN(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071192077 176073512 /nfs/dbraw/zinc/07/35/12/176073512.db2.gz MDKYDJMSXOBXQH-AWEZNQCLSA-N 1 3 291.439 2.224 10 0 CEAEHO CC(C)(C)N1CCN(Cc2ccc(F)cc2C(N)=[NH2+])CC1 ZINC000071267791 176100908 /nfs/dbraw/zinc/10/09/08/176100908.db2.gz MUYPBYGKYUXDAC-UHFFFAOYSA-N 1 3 292.402 2.026 10 0 CEAEHO C[NH2+]CCCCCCN1CCO[C@H]2CCCC[C@@H]21 ZINC000071289752 176110682 /nfs/dbraw/zinc/11/06/82/176110682.db2.gz PWWMNUVWKBRCMB-GJZGRUSLSA-N 1 3 254.418 2.410 10 0 CEAEHO CC[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1CCn1ccnc1C ZINC000071346520 176132079 /nfs/dbraw/zinc/13/20/79/176132079.db2.gz CEZQDYNXXHJGTI-CABCVRRESA-N 1 3 278.444 2.290 10 0 CEAEHO CC[C@@H]1CN[C@H](C(C)(C)C)C[N@H+]1CCn1ccnc1C ZINC000071346520 176132080 /nfs/dbraw/zinc/13/20/80/176132080.db2.gz CEZQDYNXXHJGTI-CABCVRRESA-N 1 3 278.444 2.290 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@H+](CCn2ccnc2C)[C@@H](CC)CN1 ZINC000071354138 176136300 /nfs/dbraw/zinc/13/63/00/176136300.db2.gz GEVMTWIHMKLMBJ-BPUTZDHNSA-N 1 3 278.444 2.290 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@@H+](CCn2ccnc2C)[C@@H](CC)CN1 ZINC000071354138 176136302 /nfs/dbraw/zinc/13/63/02/176136302.db2.gz GEVMTWIHMKLMBJ-BPUTZDHNSA-N 1 3 278.444 2.290 10 0 CEAEHO CC[C@@H](C)[C@@H]1C[N@H+](CCn2ccnc2C)[C@H](C2CC2)CN1 ZINC000071355312 176136895 /nfs/dbraw/zinc/13/68/95/176136895.db2.gz ZWHBQPWNOAUGRB-COXVUDFISA-N 1 3 290.455 2.290 10 0 CEAEHO CC[C@@H](C)[C@@H]1C[N@@H+](CCn2ccnc2C)[C@H](C2CC2)CN1 ZINC000071355312 176136897 /nfs/dbraw/zinc/13/68/97/176136897.db2.gz ZWHBQPWNOAUGRB-COXVUDFISA-N 1 3 290.455 2.290 10 0 CEAEHO [NH3+][C@H](CCCN1CCN(C2CC2)CC1)c1ccccc1 ZINC000071401841 176153759 /nfs/dbraw/zinc/15/37/59/176153759.db2.gz GNHGFZDXOALMOW-QGZVFWFLSA-N 1 3 273.424 2.247 10 0 CEAEHO CCN1CCC[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000252775090 279323683 /nfs/dbraw/zinc/32/36/83/279323683.db2.gz JYYMZFJPKPVCIS-RCBQFDQVSA-N 1 3 259.397 2.205 10 0 CEAEHO Cc1cccnc1CCC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000566088899 313848811 /nfs/dbraw/zinc/84/88/11/313848811.db2.gz JSIOXWFWBBWNNB-LSDHHAIUSA-N 1 3 261.413 2.300 10 0 CEAEHO CC(C)[C@H](C[NH2+]C(C)(C)C)N1CCN(C(C)C)CC1 ZINC000052479961 519815818 /nfs/dbraw/zinc/81/58/18/519815818.db2.gz AGHSKYGKXIOWOK-HNNXBMFYSA-N 1 3 269.477 2.425 10 0 CEAEHO CC[NH+](CC)CCOc1ccccc1CNCCOC ZINC000062729544 520701211 /nfs/dbraw/zinc/70/12/11/520701211.db2.gz YCRASVOLKOUIEG-UHFFFAOYSA-N 1 3 280.412 2.143 10 0 CEAEHO C[NH+](C)[C@@H]1CCN(Cc2csc(CNC(C)(C)C)n2)C1 ZINC000062971848 522051606 /nfs/dbraw/zinc/05/16/06/522051606.db2.gz DWSLCOVDAQCSNU-CYBMUJFWSA-N 1 3 296.484 2.167 10 0 CEAEHO CC[C@@H](C)N1CCN(CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000055083590 522118123 /nfs/dbraw/zinc/11/81/23/522118123.db2.gz YNQSGYYAQZYHMM-HZPDHXFCSA-N 1 3 267.461 2.325 10 0 CEAEHO CC(C)C[N@H+](CCN(C)C)C[C@](C)(CN)c1ccccc1 ZINC000051250603 519716513 /nfs/dbraw/zinc/71/65/13/519716513.db2.gz TVIZSXKULVCOOD-SFHVURJKSA-N 1 3 291.483 2.423 10 0 CEAEHO CC(C)C[N@@H+](CCN(C)C)C[C@](C)(CN)c1ccccc1 ZINC000051250603 519716515 /nfs/dbraw/zinc/71/65/15/519716515.db2.gz TVIZSXKULVCOOD-SFHVURJKSA-N 1 3 291.483 2.423 10 0 CEAEHO CC(C)[NH2+]CCCCCN(C)Cc1cnn(C)c1 ZINC000052570404 519720487 /nfs/dbraw/zinc/72/04/87/519720487.db2.gz KADIOSQMKBMCIX-UHFFFAOYSA-N 1 3 252.406 2.020 10 0 CEAEHO CCC[NH+]1CCN(Cc2c3ccccc3oc2CN)CC1 ZINC000052421870 519858642 /nfs/dbraw/zinc/85/86/42/519858642.db2.gz RCHIZQKNKHTAHZ-UHFFFAOYSA-N 1 3 287.407 2.419 10 0 CEAEHO CCCN1CCN([C@@H](C[NH2+]CC(C)C)C(C)C)CC1 ZINC000052421707 519859634 /nfs/dbraw/zinc/85/96/34/519859634.db2.gz IHJORKVUZHZZMQ-INIZCTEOSA-N 1 3 269.477 2.284 10 0 CEAEHO CCCN1CCN([C@H]2C[C@@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054554496 519860282 /nfs/dbraw/zinc/86/02/82/519860282.db2.gz HQELBNPWCPPEEM-JYJNAYRXSA-N 1 3 267.461 2.166 10 0 CEAEHO CC[NH2+]C[C@H](C)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000061702361 519969737 /nfs/dbraw/zinc/96/97/37/519969737.db2.gz OHPLHADTFMHFRM-GOEBONIOSA-N 1 3 262.397 2.276 10 0 CEAEHO CC[NH2+]C[C@H]1CC[C@@H](CN2CCc3ccccc3C2)O1 ZINC000052419167 519980071 /nfs/dbraw/zinc/98/00/71/519980071.db2.gz LTSVUODGFRJQGT-SJORKVTESA-N 1 3 274.408 2.202 10 0 CEAEHO CC[NH2+]Cc1cc(F)ccc1N1CCN(CC2CC2)CC1 ZINC000048995548 519992811 /nfs/dbraw/zinc/99/28/11/519992811.db2.gz GUURCTZLNCQQRV-UHFFFAOYSA-N 1 3 291.414 2.467 10 0 CEAEHO CCC[NH2+][C@@H]1CCC[C@@H]1CN1CCN(CC(C)C)CC1 ZINC000055081864 520019951 /nfs/dbraw/zinc/01/99/51/520019951.db2.gz RICBKRGGFQXQKJ-IAGOWNOFSA-N 1 3 281.488 2.428 10 0 CEAEHO CC[NH2+]Cc1occc1CN(C)CCc1ccncc1 ZINC000052483090 520031369 /nfs/dbraw/zinc/03/13/69/520031369.db2.gz GZYYBDUSZNRQBS-UHFFFAOYSA-N 1 3 273.380 2.459 10 0 CEAEHO CC[NH2+][C@@H](C)CCCN1CCN([C@@H](C)CC)CC1 ZINC000055065147 520073376 /nfs/dbraw/zinc/07/33/76/520073376.db2.gz OTHUSOVLCCPTRX-GJZGRUSLSA-N 1 3 255.450 2.181 10 0 CEAEHO CC[NH2+][C@H](C)CCCCN1CCN(CC(C)C)CC1 ZINC000055078732 520172850 /nfs/dbraw/zinc/17/28/50/520172850.db2.gz VGSRFCZZOLWRCW-MRXNPFEDSA-N 1 3 269.477 2.428 10 0 CEAEHO CC[NH2+][C@H](C)c1ccc(F)cc1OCCN(C)C ZINC000062747081 520177647 /nfs/dbraw/zinc/17/76/47/520177647.db2.gz VENBWLUTGHLLGA-LLVKDONJSA-N 1 3 254.349 2.437 10 0 CEAEHO CCO[C@H](C[NH3+])CCN1CCc2sccc2[C@@H]1C ZINC000062741180 520515617 /nfs/dbraw/zinc/51/56/17/520515617.db2.gz YSQOCAUNTBUQSG-RYUDHWBXSA-N 1 3 268.426 2.421 10 0 CEAEHO CCC[C@]1(COC)CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000261801895 521323377 /nfs/dbraw/zinc/32/33/77/521323377.db2.gz GYHIHOJCWNPMMY-LSDHHAIUSA-N 1 3 254.418 2.267 10 0 CEAEHO CCC[C@]1(COC)CCC[N@H+]1C[C@H]1CCCNC1 ZINC000261801895 521323384 /nfs/dbraw/zinc/32/33/84/521323384.db2.gz GYHIHOJCWNPMMY-LSDHHAIUSA-N 1 3 254.418 2.267 10 0 CEAEHO CCN(Cc1ccccc1C[NH2+]C)C[C@H]1CCCO1 ZINC000052511103 521381153 /nfs/dbraw/zinc/38/11/53/521381153.db2.gz CSXMYOZDZKVKID-MRXNPFEDSA-N 1 3 262.397 2.407 10 0 CEAEHO CCCN(CCN(C)C)[C@H](C)CC[NH2+]C(C)(C)C ZINC000052544302 521657658 /nfs/dbraw/zinc/65/76/58/521657658.db2.gz QNRKVPIMNAJOJR-CQSZACIVSA-N 1 3 257.466 2.427 10 0 CEAEHO CCCN(CCO)C[C@H]1CCCCC[C@@H]1[NH2+]CC ZINC000053873950 521667149 /nfs/dbraw/zinc/66/71/49/521667149.db2.gz HGUSKBLBXQIQIN-CABCVRRESA-N 1 3 256.434 2.249 10 0 CEAEHO CNCC1(C[N@@H+]2CCC[C@@H]2CCCO)CCCC1 ZINC000052763343 521968208 /nfs/dbraw/zinc/96/82/08/521968208.db2.gz YUNZVHXHPAWTIY-CQSZACIVSA-N 1 3 254.418 2.003 10 0 CEAEHO CNCC1(C[N@H+]2CCC[C@@H]2CCCO)CCCC1 ZINC000052763343 521968213 /nfs/dbraw/zinc/96/82/13/521968213.db2.gz YUNZVHXHPAWTIY-CQSZACIVSA-N 1 3 254.418 2.003 10 0 CEAEHO CC[C@@H](C)N1CCN(CC2(C[NH3+])CCCCC2)CC1 ZINC000055072013 522117694 /nfs/dbraw/zinc/11/76/94/522117694.db2.gz KSZMDZXNWFQENE-OAHLLOKOSA-N 1 3 267.461 2.312 10 0 CEAEHO CNCc1ccc(CN2CCC([NH+]3CCCCC3)CC2)o1 ZINC000052484203 522117682 /nfs/dbraw/zinc/11/76/82/522117682.db2.gz SLHFULHQTIXWOM-UHFFFAOYSA-N 1 3 291.439 2.449 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C[NH3+])c2cc(F)ccc2F)CC1 ZINC000055064302 522131468 /nfs/dbraw/zinc/13/14/68/522131468.db2.gz DUAPZTDVQSFLFV-MLGOLLRUSA-N 1 3 297.393 2.381 10 0 CEAEHO CC[C@H](C[NH2+]C(C)C)N(CCN(C)C)CC(C)C ZINC000052503280 522192285 /nfs/dbraw/zinc/19/22/85/522192285.db2.gz VJATYQZXYAYJGQ-OAHLLOKOSA-N 1 3 257.466 2.283 10 0 CEAEHO CC[C@H]1CSC(N[C@H](C)CN2CCCCC2)=[NH+]1 ZINC000049502345 523355529 /nfs/dbraw/zinc/35/55/29/523355529.db2.gz XFEKWZVCGAIXDA-NEPJUHHUSA-N 1 3 255.431 2.332 10 0 CEAEHO CC[C@@](C)(C[NH2+]C1CC1)CN1CCN(CC(C)C)CC1 ZINC000055081754 523638966 /nfs/dbraw/zinc/63/89/66/523638966.db2.gz ZOUNCVIHJGFUIP-KRWDZBQOSA-N 1 3 281.488 2.428 10 0 CEAEHO CN(c1nc(C(C)(C)C)c(C[NH3+])s1)C1CCN(C)CC1 ZINC000054994887 523661172 /nfs/dbraw/zinc/66/11/72/523661172.db2.gz WHEHYVODWNUQHX-UHFFFAOYSA-N 1 3 296.484 2.430 10 0 CEAEHO CN1CCCC[C@@H]1CC[NH2+]CCCCn1ccnc1 ZINC000052206217 523793968 /nfs/dbraw/zinc/79/39/68/523793968.db2.gz BDNWFNDCFCLSMX-OAHLLOKOSA-N 1 3 264.417 2.127 10 0 CEAEHO CC[C@H](C)N1CCN([C@@H](C[NH2+]C)c2ccccc2)CC1 ZINC000055074152 523958416 /nfs/dbraw/zinc/95/84/16/523958416.db2.gz KALXNKRSWVGFHM-RDJZCZTQSA-N 1 3 275.440 2.363 10 0 CEAEHO CC[C@H](C)N1CCN(c2cc(C)ccc2C(N)=[NH2+])CC1 ZINC000055067191 523960999 /nfs/dbraw/zinc/96/09/99/523960999.db2.gz YZRZLSFAFGAATH-ZDUSSCGKSA-N 1 3 274.412 2.200 10 0 CEAEHO CCc1ccc([C@@H](C[NH3+])N2CCN([C@@H](C)CC)CC2)o1 ZINC000055064341 524028342 /nfs/dbraw/zinc/02/83/42/524028342.db2.gz YFAGYFKYJUKQLV-DZGCQCFKSA-N 1 3 279.428 2.258 10 0 CEAEHO c1ccc(N2CCN(CCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000052764218 526481979 /nfs/dbraw/zinc/48/19/79/526481979.db2.gz KTPTUAGTHLGYFP-MRXNPFEDSA-N 1 3 273.424 2.341 10 0 CEAEHO N=C(N)c1cc(C[N@@H+]2CC[C@H](c3ccccc3)C2)ccn1 ZINC000068761831 526819293 /nfs/dbraw/zinc/81/92/93/526819293.db2.gz RCEOAKIBTLBONF-HNNXBMFYSA-N 1 3 280.375 2.355 10 0 CEAEHO N=C(N)c1cc(C[N@H+]2CC[C@H](c3ccccc3)C2)ccn1 ZINC000068761831 526819297 /nfs/dbraw/zinc/81/92/97/526819297.db2.gz RCEOAKIBTLBONF-HNNXBMFYSA-N 1 3 280.375 2.355 10 0 CEAEHO NC(=[NH2+])c1ccc(Cl)cc1OCCN1CCCC1 ZINC000062789175 526822869 /nfs/dbraw/zinc/82/28/69/526822869.db2.gz CSJVKEGLUVLZJI-UHFFFAOYSA-N 1 3 267.760 2.099 10 0 CEAEHO [NH3+]C1CCC(N2CCN(c3ccccc3F)CC2)CC1 ZINC000055144419 527140815 /nfs/dbraw/zinc/14/08/15/527140815.db2.gz OVKMMMVGDNSPNL-UHFFFAOYSA-N 1 3 277.387 2.218 10 0 CEAEHO NC[C@@H]1CCCCC[C@@H]1[N@@H+]1CCC[C@@H]1CCCO ZINC000052758172 527207742 /nfs/dbraw/zinc/20/77/42/527207742.db2.gz KKXNLLPZCNZCDX-ZNMIVQPWSA-N 1 3 254.418 2.131 10 0 CEAEHO NC[C@@H]1CCCCC[C@@H]1[N@H+]1CCC[C@@H]1CCCO ZINC000052758172 527207747 /nfs/dbraw/zinc/20/77/47/527207747.db2.gz KKXNLLPZCNZCDX-ZNMIVQPWSA-N 1 3 254.418 2.131 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cncc4ccccc43)C[C@H]12 ZINC000312652283 628360820 /nfs/dbraw/zinc/36/08/20/628360820.db2.gz FXGZAMIRLUZIPB-XOKHGSTOSA-N 1 3 267.376 2.404 10 0 CEAEHO CCc1ccc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)o1 ZINC000121114573 365524968 /nfs/dbraw/zinc/52/49/68/365524968.db2.gz FNXCJRVLJRHQLI-CQSZACIVSA-N 1 3 294.439 2.367 10 0 CEAEHO CN[C@](C)(CO)C[C@H](C)[NH+]1CCC(C(C)(C)C)CC1 ZINC000085210986 178973107 /nfs/dbraw/zinc/97/31/07/178973107.db2.gz YBMQPBSYQLCDLZ-BBRMVZONSA-N 1 3 270.461 2.494 10 0 CEAEHO C[NH2+][C@](C)(CO)C[C@H](C)N1CCC(C(C)(C)C)CC1 ZINC000085210986 178973110 /nfs/dbraw/zinc/97/31/10/178973110.db2.gz YBMQPBSYQLCDLZ-BBRMVZONSA-N 1 3 270.461 2.494 10 0 CEAEHO CC[C@]1(C)CN[C@@](C)(C2CC2)C[N@@H+]1CCn1ccnc1C ZINC000085515080 179086251 /nfs/dbraw/zinc/08/62/51/179086251.db2.gz WOESXCBCIFENQW-IAGOWNOFSA-N 1 3 290.455 2.434 10 0 CEAEHO CC[C@]1(C)CN[C@@](C)(C2CC2)C[N@H+]1CCn1ccnc1C ZINC000085515080 179086252 /nfs/dbraw/zinc/08/62/52/179086252.db2.gz WOESXCBCIFENQW-IAGOWNOFSA-N 1 3 290.455 2.434 10 0 CEAEHO CC(C)(C)[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CCCN1 ZINC000085613834 179103543 /nfs/dbraw/zinc/10/35/43/179103543.db2.gz YUIFZVMNAVFERM-KBPBESRZSA-N 1 3 254.418 2.266 10 0 CEAEHO CC(C)(C)[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)CCCN1 ZINC000085613834 179103544 /nfs/dbraw/zinc/10/35/44/179103544.db2.gz YUIFZVMNAVFERM-KBPBESRZSA-N 1 3 254.418 2.266 10 0 CEAEHO C[C@@H]1CCN[C@@H](Cc2ccccc2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085618881 179104728 /nfs/dbraw/zinc/10/47/28/179104728.db2.gz APFZFYCHXYRLII-NJAFHUGGSA-N 1 3 288.435 2.461 10 0 CEAEHO C[C@@H]1CCN[C@@H](Cc2ccccc2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085618881 179104730 /nfs/dbraw/zinc/10/47/30/179104730.db2.gz APFZFYCHXYRLII-NJAFHUGGSA-N 1 3 288.435 2.461 10 0 CEAEHO C[C@@H]1CCNC2(CCCC2)C[N@@H+]1CCCn1ccnc1 ZINC000085623130 179105097 /nfs/dbraw/zinc/10/50/97/179105097.db2.gz BHIYBFRBLOVXLM-OAHLLOKOSA-N 1 3 276.428 2.270 10 0 CEAEHO C[C@@H]1CCNC2(CCCC2)C[N@H+]1CCCn1ccnc1 ZINC000085623130 179105100 /nfs/dbraw/zinc/10/51/00/179105100.db2.gz BHIYBFRBLOVXLM-OAHLLOKOSA-N 1 3 276.428 2.270 10 0 CEAEHO C[C@@H]1CC[NH2+]C2(CCCC2)CN1CCCn1ccnc1 ZINC000085623130 179105101 /nfs/dbraw/zinc/10/51/01/179105101.db2.gz BHIYBFRBLOVXLM-OAHLLOKOSA-N 1 3 276.428 2.270 10 0 CEAEHO C[C@@H]1CNC2(CCCCC2)C[N@@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182572 179247922 /nfs/dbraw/zinc/24/79/22/179247922.db2.gz FMISZQHYWKHTHV-GDBMZVCRSA-N 1 3 277.456 2.077 10 0 CEAEHO C[C@@H]1CNC2(CCCCC2)C[N@H+]1[C@@H]1CN2CCC1CC2 ZINC000086182572 179247924 /nfs/dbraw/zinc/24/79/24/179247924.db2.gz FMISZQHYWKHTHV-GDBMZVCRSA-N 1 3 277.456 2.077 10 0 CEAEHO CC(C)C[C@H]1C[N@H+](C2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086217870 179249261 /nfs/dbraw/zinc/24/92/61/179249261.db2.gz MYKYCRSGGRAXPF-RDJZCZTQSA-N 1 3 281.488 2.425 10 0 CEAEHO CC(C)C[C@H]1C[N@@H+](C2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086217870 179249264 /nfs/dbraw/zinc/24/92/64/179249264.db2.gz MYKYCRSGGRAXPF-RDJZCZTQSA-N 1 3 281.488 2.425 10 0 CEAEHO CCC[C@H]1C[N@H+](C2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086217878 179250045 /nfs/dbraw/zinc/25/00/45/179250045.db2.gz VKJAWRTXYBKNQU-HOCLYGCPSA-N 1 3 267.461 2.179 10 0 CEAEHO CCC[C@H]1C[N@@H+](C2CCN(C)CC2)[C@H](C(C)C)CN1 ZINC000086217878 179250048 /nfs/dbraw/zinc/25/00/48/179250048.db2.gz VKJAWRTXYBKNQU-HOCLYGCPSA-N 1 3 267.461 2.179 10 0 CEAEHO Fc1ccc(CC[N@@H+]2CCCN[C@@H](C3CC3)C2)cc1 ZINC000086285663 179263642 /nfs/dbraw/zinc/26/36/42/179263642.db2.gz VFJVQUJCXQQTGY-MRXNPFEDSA-N 1 3 262.372 2.442 10 0 CEAEHO Fc1ccc(CC[N@H+]2CCCN[C@@H](C3CC3)C2)cc1 ZINC000086285663 179263643 /nfs/dbraw/zinc/26/36/43/179263643.db2.gz VFJVQUJCXQQTGY-MRXNPFEDSA-N 1 3 262.372 2.442 10 0 CEAEHO CCN1CCC[C@H]([N@@H+]2CCCNC3(CCCC3)C2)C1 ZINC000086289423 179264074 /nfs/dbraw/zinc/26/40/74/179264074.db2.gz UDQVSOHCKHEPTN-HNNXBMFYSA-N 1 3 265.445 2.079 10 0 CEAEHO CCN1CCC[C@H]([N@H+]2CCCNC3(CCCC3)C2)C1 ZINC000086289423 179264076 /nfs/dbraw/zinc/26/40/76/179264076.db2.gz UDQVSOHCKHEPTN-HNNXBMFYSA-N 1 3 265.445 2.079 10 0 CEAEHO CC[C@@H](C)[C@H]1C[N@@H+]([C@@H](C)[C@@H]2CCCO2)CCCN1 ZINC000086287086 179264690 /nfs/dbraw/zinc/26/46/90/179264690.db2.gz GFMRCZKLCPPUPS-BARDWOONSA-N 1 3 254.418 2.264 10 0 CEAEHO CC[C@@H](C)[C@H]1C[N@H+]([C@@H](C)[C@@H]2CCCO2)CCCN1 ZINC000086287086 179264692 /nfs/dbraw/zinc/26/46/92/179264692.db2.gz GFMRCZKLCPPUPS-BARDWOONSA-N 1 3 254.418 2.264 10 0 CEAEHO C[C@@H]1CCC[C@@]1(CN)[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC000086677249 179319318 /nfs/dbraw/zinc/31/93/18/179319318.db2.gz MGSMZZWJPMAENC-PMPSAXMXSA-N 1 3 265.445 2.064 10 0 CEAEHO C[C@@H]1CCC[C@@]1(CN)[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000086677249 179319319 /nfs/dbraw/zinc/31/93/19/179319319.db2.gz MGSMZZWJPMAENC-PMPSAXMXSA-N 1 3 265.445 2.064 10 0 CEAEHO CN1CCC[C@](CN)([N@H+](C)C2CCCCCC2)CC1 ZINC000086819327 179348263 /nfs/dbraw/zinc/34/82/63/179348263.db2.gz YNMVGXYRNAXJRH-INIZCTEOSA-N 1 3 267.461 2.454 10 0 CEAEHO CN1CCC[C@](CN)([N@@H+](C)C2CCCCCC2)CC1 ZINC000086819327 179348266 /nfs/dbraw/zinc/34/82/66/179348266.db2.gz YNMVGXYRNAXJRH-INIZCTEOSA-N 1 3 267.461 2.454 10 0 CEAEHO CN(C)[C@@H](CN[C@H]1CCC[N@H+](C)CC1)c1cccs1 ZINC000086817385 179345370 /nfs/dbraw/zinc/34/53/70/179345370.db2.gz BHEMYTGDGHUXKT-KBPBESRZSA-N 1 3 281.469 2.425 10 0 CEAEHO CN(C)[C@@H](CN[C@H]1CCC[N@@H+](C)CC1)c1cccs1 ZINC000086817385 179345372 /nfs/dbraw/zinc/34/53/72/179345372.db2.gz BHEMYTGDGHUXKT-KBPBESRZSA-N 1 3 281.469 2.425 10 0 CEAEHO CN(C)[C@@H](C[NH2+][C@H]1CCCN(C)CC1)c1cccs1 ZINC000086817385 179345375 /nfs/dbraw/zinc/34/53/75/179345375.db2.gz BHEMYTGDGHUXKT-KBPBESRZSA-N 1 3 281.469 2.425 10 0 CEAEHO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCCN(C)CC1 ZINC000086818582 179346619 /nfs/dbraw/zinc/34/66/19/179346619.db2.gz RPMMBQBEYBWYOU-LSDHHAIUSA-N 1 3 255.450 2.037 10 0 CEAEHO CC(C)C[C@@H](CO)[NH2+][C@@H]1CCCN(C(C)C)CC1 ZINC000086842532 179353674 /nfs/dbraw/zinc/35/36/74/179353674.db2.gz GLEGWFGFMJWOFT-CABCVRRESA-N 1 3 256.434 2.246 10 0 CEAEHO CC(C)C[C@@H](CO)N[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086842532 179353675 /nfs/dbraw/zinc/35/36/75/179353675.db2.gz GLEGWFGFMJWOFT-CABCVRRESA-N 1 3 256.434 2.246 10 0 CEAEHO CC(C)C[C@@H](CO)N[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086842532 179353676 /nfs/dbraw/zinc/35/36/76/179353676.db2.gz GLEGWFGFMJWOFT-CABCVRRESA-N 1 3 256.434 2.246 10 0 CEAEHO CCN1CCC[C@](CN)([N@H+](C)C2CCCC2)CC1 ZINC000086846740 179355522 /nfs/dbraw/zinc/35/55/22/179355522.db2.gz VPDLNVCQAIBOER-HNNXBMFYSA-N 1 3 253.434 2.064 10 0 CEAEHO CCN1CCC[C@](CN)([N@@H+](C)C2CCCC2)CC1 ZINC000086846740 179355525 /nfs/dbraw/zinc/35/55/25/179355525.db2.gz VPDLNVCQAIBOER-HNNXBMFYSA-N 1 3 253.434 2.064 10 0 CEAEHO CCN1CCC[C@@H]([NH2+]CCc2nc(C)cs2)CC1 ZINC000086844764 179355644 /nfs/dbraw/zinc/35/56/44/179355644.db2.gz WSVWOTOZQVPJKD-CYBMUJFWSA-N 1 3 267.442 2.458 10 0 CEAEHO CC[N@@H+]1CCC[C@@H](NCCc2nc(C)cs2)CC1 ZINC000086844764 179355645 /nfs/dbraw/zinc/35/56/45/179355645.db2.gz WSVWOTOZQVPJKD-CYBMUJFWSA-N 1 3 267.442 2.458 10 0 CEAEHO CC[N@H+]1CCC[C@@H](NCCc2nc(C)cs2)CC1 ZINC000086844764 179355646 /nfs/dbraw/zinc/35/56/46/179355646.db2.gz WSVWOTOZQVPJKD-CYBMUJFWSA-N 1 3 267.442 2.458 10 0 CEAEHO CN(C)CCN(C)[C@@]1(C[NH3+])CCCC(C)(C)CC1 ZINC000086913674 179367082 /nfs/dbraw/zinc/36/70/82/179367082.db2.gz SCIRPOOZIZOKHS-HNNXBMFYSA-N 1 3 255.450 2.168 10 0 CEAEHO CN(C)CC[N@H+](C)[C@@]1(CN)CCCC(C)(C)CC1 ZINC000086913674 179367083 /nfs/dbraw/zinc/36/70/83/179367083.db2.gz SCIRPOOZIZOKHS-HNNXBMFYSA-N 1 3 255.450 2.168 10 0 CEAEHO CN(C)CC[N@@H+](C)[C@@]1(CN)CCCC(C)(C)CC1 ZINC000086913674 179367085 /nfs/dbraw/zinc/36/70/85/179367085.db2.gz SCIRPOOZIZOKHS-HNNXBMFYSA-N 1 3 255.450 2.168 10 0 CEAEHO [NH3+]C[C@]1(NC[C@@H]2CCCO2)CCC[C@H](C2CC2)C1 ZINC000087928776 179525169 /nfs/dbraw/zinc/52/51/69/179525169.db2.gz SBDDFWMFBVMNKR-KKUMJFAQSA-N 1 3 252.402 2.053 10 0 CEAEHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccccc1-n1cccn1 ZINC000089145480 179722118 /nfs/dbraw/zinc/72/21/18/179722118.db2.gz MMUUYBHLSFJFSR-GDBMZVCRSA-N 1 3 284.407 2.479 10 0 CEAEHO C[C@H](COCc1ccccc1)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400445064 233177693 /nfs/dbraw/zinc/17/76/93/233177693.db2.gz NLQPORCVRUGIAN-IJEWVQPXSA-N 1 3 262.397 2.179 10 0 CEAEHO C[C@H](N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400414585 233178216 /nfs/dbraw/zinc/17/82/16/233178216.db2.gz VADMUNJMIUQYEA-CWLKWCNXSA-N 1 3 287.451 2.237 10 0 CEAEHO C[C@@H]1CCC[C@H]([C@@H](CN)[N@@H+]2CC[C@H](N3CCCC3)C2)C1 ZINC000089609724 179828980 /nfs/dbraw/zinc/82/89/80/179828980.db2.gz WKSHGXGRDHFXNN-LTIDMASMSA-N 1 3 279.472 2.310 10 0 CEAEHO C[C@@H]1CCC[C@H]([C@@H](CN)[N@H+]2CC[C@H](N3CCCC3)C2)C1 ZINC000089609724 179828982 /nfs/dbraw/zinc/82/89/82/179828982.db2.gz WKSHGXGRDHFXNN-LTIDMASMSA-N 1 3 279.472 2.310 10 0 CEAEHO CC(C)N1CC[C@@H](C[NH2+]Cc2sccc2N)C1 ZINC000090960382 180075618 /nfs/dbraw/zinc/07/56/18/180075618.db2.gz AXBZZJDWWLNVRB-NSHDSACASA-N 1 3 253.415 2.150 10 0 CEAEHO C[C@H](c1cccs1)[N@H+](C)CC[C@@H]1CNCCO1 ZINC000091313901 180132574 /nfs/dbraw/zinc/13/25/74/180132574.db2.gz OMCJZCBYQFCZQU-VXGBXAGGSA-N 1 3 254.399 2.119 10 0 CEAEHO C[C@H](c1cccs1)[N@@H+](C)CC[C@@H]1CNCCO1 ZINC000091313901 180132576 /nfs/dbraw/zinc/13/25/76/180132576.db2.gz OMCJZCBYQFCZQU-VXGBXAGGSA-N 1 3 254.399 2.119 10 0 CEAEHO CN(CCc1ccccc1)CC[C@H]1CSCC[NH2+]1 ZINC000091292363 180123620 /nfs/dbraw/zinc/12/36/20/180123620.db2.gz NDAKKAVIUWBLFW-HNNXBMFYSA-N 1 3 264.438 2.256 10 0 CEAEHO C[NH2+][C@H](CCN(C)CC1CC(O)C1)c1ccc(C)cc1 ZINC000091499470 180173918 /nfs/dbraw/zinc/17/39/18/180173918.db2.gz UEDKVJBGJNDWKY-BDVYOWHSSA-N 1 3 276.424 2.348 10 0 CEAEHO CCCCN(CCO)CC(C)(C)[C@@H](C)[NH2+]CCC ZINC000091403457 180147079 /nfs/dbraw/zinc/14/70/79/180147079.db2.gz HPSRUIYQRICVLE-CQSZACIVSA-N 1 3 258.450 2.495 10 0 CEAEHO CCC[NH2+][C@H](C)C(C)(C)CN(C)CC1CC(O)C1 ZINC000091405569 180147158 /nfs/dbraw/zinc/14/71/58/180147158.db2.gz HNNPGDFRHLAWII-IYXRBSQSSA-N 1 3 256.434 2.103 10 0 CEAEHO CCC[NH2+][C@@H](C)C(C)(C)CN(C)CCN1CCCC1 ZINC000091405034 180147616 /nfs/dbraw/zinc/14/76/16/180147616.db2.gz QAYDKWSAGYIVOU-HNNXBMFYSA-N 1 3 269.477 2.428 10 0 CEAEHO CCCNCc1cncc(N(CC[NH+](C)C)CC(C)C)n1 ZINC000091419799 180150725 /nfs/dbraw/zinc/15/07/25/180150725.db2.gz KCBJISKDSFXFSP-UHFFFAOYSA-N 1 3 293.459 2.000 10 0 CEAEHO CN1CCCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 ZINC000624122337 350200053 /nfs/dbraw/zinc/20/00/53/350200053.db2.gz ONUQCDANPQBGFG-TUVASFSCSA-N 1 3 266.429 2.121 10 0 CEAEHO Cc1cc(C)c(C[C@H](N)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)c1 ZINC000091720569 180236525 /nfs/dbraw/zinc/23/65/25/180236525.db2.gz CUOIDXFBKBRMEI-NJAFHUGGSA-N 1 3 288.435 2.345 10 0 CEAEHO Cc1cc(C)c(C[C@H](N)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(C)c1 ZINC000091720569 180236527 /nfs/dbraw/zinc/23/65/27/180236527.db2.gz CUOIDXFBKBRMEI-NJAFHUGGSA-N 1 3 288.435 2.345 10 0 CEAEHO C[C@H](C(=O)Nc1ccccc1)N(C)C1CCC([NH3+])CC1 ZINC000091847943 180270947 /nfs/dbraw/zinc/27/09/47/180270947.db2.gz JFDNHORTZOVSRG-DNOWBOINSA-N 1 3 275.396 2.215 10 0 CEAEHO CCN(CC(=O)N1CCCCCCC1)C1CCC([NH3+])CC1 ZINC000091850769 180271700 /nfs/dbraw/zinc/27/17/00/180271700.db2.gz KNSPVGLYYHJIFG-UHFFFAOYSA-N 1 3 295.471 2.371 10 0 CEAEHO CCN(CC(=O)N(C)c1ccccc1)C1CCC([NH3+])CC1 ZINC000091850954 180271808 /nfs/dbraw/zinc/27/18/08/180271808.db2.gz XXRSXDFFJDRKPT-UHFFFAOYSA-N 1 3 289.423 2.241 10 0 CEAEHO CC[NH2+]C1CCC(N(C)[C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000091870440 180276982 /nfs/dbraw/zinc/27/69/82/180276982.db2.gz IMYSCJBPDSXWJG-HSBZDZAISA-N 1 3 283.460 2.142 10 0 CEAEHO CCC[C@H](C)NC(=O)CN(C)C1CCC([NH2+]CC)CC1 ZINC000091870374 180277206 /nfs/dbraw/zinc/27/72/06/180277206.db2.gz QLFBXZAOBBUANX-NFOMZHRRSA-N 1 3 283.460 2.144 10 0 CEAEHO CC[NH2+][C@H](Cc1nc(CCN(CC)CC)no1)C(C)C ZINC000109496204 186256311 /nfs/dbraw/zinc/25/63/11/186256311.db2.gz KMKQMWMXKMBERV-CYBMUJFWSA-N 1 3 282.432 2.131 10 0 CEAEHO CCC[NH2+][C@H](C)CCc1nc(CCN(CC)CC)no1 ZINC000109496267 186256895 /nfs/dbraw/zinc/25/68/95/186256895.db2.gz CJGCXWRDQCZZNK-CYBMUJFWSA-N 1 3 282.432 2.275 10 0 CEAEHO CCCc1nc(N2CC[C@H]([NH+]3CCCC3)C2)sc1CN ZINC000110275583 186289725 /nfs/dbraw/zinc/28/97/25/186289725.db2.gz FWLWIAWZRSLYHQ-LBPRGKRZSA-N 1 3 294.468 2.229 10 0 CEAEHO CCN1CCN([C@@H](C[NH3+])c2ccc(C)c(F)c2)C[C@@H]1C ZINC000110977977 186339271 /nfs/dbraw/zinc/33/92/71/186339271.db2.gz MLTWVRPDBIJUNS-BBRMVZONSA-N 1 3 279.403 2.160 10 0 CEAEHO C[C@@H]([NH3+])[C@H](c1ccccc1)N1CCN(C)C(C)(C)C1 ZINC000110704888 186314207 /nfs/dbraw/zinc/31/42/07/186314207.db2.gz HEQGVQNTZNOXFU-UKRRQHHQSA-N 1 3 261.413 2.101 10 0 CEAEHO CCCCCC[C@H](C[NH3+])N1CCN(C)C(C)(C)C1 ZINC000110712112 186315591 /nfs/dbraw/zinc/31/55/91/186315591.db2.gz ZQAGQVNBOOLQBW-CQSZACIVSA-N 1 3 255.450 2.310 10 0 CEAEHO C[C@@H](c1ccccc1)[C@@H](C[NH3+])N1CCN(C)C(C)(C)C1 ZINC000110711742 186316652 /nfs/dbraw/zinc/31/66/52/186316652.db2.gz NSPSFPRERFUEAK-GOEBONIOSA-N 1 3 275.440 2.143 10 0 CEAEHO COc1ccc([C@H]([NH3+])[C@H](C)N2CCN(C)C(C)(C)C2)cc1 ZINC000110716422 186316678 /nfs/dbraw/zinc/31/66/78/186316678.db2.gz PYIZHRHZGNQCAF-XJKSGUPXSA-N 1 3 291.439 2.110 10 0 CEAEHO CC[C@H]1CN(CC2(C[NH2+]C3CC3)CCCC2)CCN1C ZINC000110746386 186319533 /nfs/dbraw/zinc/31/95/33/186319533.db2.gz ZKHZMXXTDCTQHA-INIZCTEOSA-N 1 3 279.472 2.325 10 0 CEAEHO CC[C@@H]1CN(Cc2ccoc2C[NH2+]C(C)C)CCN1C ZINC000110753876 186322179 /nfs/dbraw/zinc/32/21/79/186322179.db2.gz HHGCIECONXGVCY-OAHLLOKOSA-N 1 3 279.428 2.304 10 0 CEAEHO CCN1CCN([C@@H](C)C[NH2+]CCC(C)C)C[C@@H]1C ZINC000110756766 186322261 /nfs/dbraw/zinc/32/22/61/186322261.db2.gz LWTNPLUCDYTOTA-GJZGRUSLSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[C@@H]([NH3+])[C@@H](N(C)C[C@@H]1CCCOC1)C(C)(C)C ZINC000111154060 186360457 /nfs/dbraw/zinc/36/04/57/186360457.db2.gz CWNSYMLHTVKMGI-BFHYXJOUSA-N 1 3 256.434 2.497 10 0 CEAEHO C[C@@H]1CC[C@H](CN)[C@H]([N@H+](C)CC2CCOCC2)C1 ZINC000111157489 186362240 /nfs/dbraw/zinc/36/22/40/186362240.db2.gz KRZBTKLBNJQNDQ-BPLDGKMQSA-N 1 3 254.418 2.108 10 0 CEAEHO C[C@@H]1CC[C@H](CN)[C@H]([N@@H+](C)CC2CCOCC2)C1 ZINC000111157489 186362242 /nfs/dbraw/zinc/36/22/42/186362242.db2.gz KRZBTKLBNJQNDQ-BPLDGKMQSA-N 1 3 254.418 2.108 10 0 CEAEHO C[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(C)CCN(C)C ZINC000111130211 186355905 /nfs/dbraw/zinc/35/59/05/186355905.db2.gz XPBIEAFUARCZPF-FZMZJTMJSA-N 1 3 269.820 2.222 10 0 CEAEHO CN(CCC[NH+](C)C)[C@@H](CN)c1ccc(Cl)cc1 ZINC000111131594 186355986 /nfs/dbraw/zinc/35/59/86/186355986.db2.gz MZQNQQVZQXEUJF-AWEZNQCLSA-N 1 3 269.820 2.223 10 0 CEAEHO CC[C@H]([NH3+])[C@H](c1cccs1)N(C)CCN(C)C ZINC000111129483 186356583 /nfs/dbraw/zinc/35/65/83/186356583.db2.gz MVRHGQIVDRWRCQ-WCQYABFASA-N 1 3 255.431 2.020 10 0 CEAEHO CCc1ccc([C@@H](CN(C)CCN(C)C)[NH2+]C)cc1 ZINC000111134417 186356967 /nfs/dbraw/zinc/35/69/67/186356967.db2.gz HOOLSWMGSOGEBB-MRXNPFEDSA-N 1 3 263.429 2.003 10 0 CEAEHO CC[NH2+][C@@H](c1ccccc1)[C@@H](C)N(C)CCN(C)C ZINC000111135469 186357001 /nfs/dbraw/zinc/35/70/01/186357001.db2.gz DLQIBUCPECAJGO-GDBMZVCRSA-N 1 3 263.429 2.219 10 0 CEAEHO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1N(C)CCN(C)C ZINC000111135526 186357656 /nfs/dbraw/zinc/35/76/56/186357656.db2.gz YDQHKVYUJZIDGU-IAGOWNOFSA-N 1 3 275.440 2.145 10 0 CEAEHO CC(C)[C@@H]1CC[C@@H](O)[C@H](N(C)CCC[NH+](C)C)C1 ZINC000111144004 186359055 /nfs/dbraw/zinc/35/90/55/186359055.db2.gz WKOXUNIHNCFCPG-RBSFLKMASA-N 1 3 256.434 2.056 10 0 CEAEHO C[C@H](C[NH2+]C(C)(C)C)CN(C)C[C@@H]1CCCOC1 ZINC000111174820 186364670 /nfs/dbraw/zinc/36/46/70/186364670.db2.gz FZRXDYQDNYCOGY-KGLIPLIRSA-N 1 3 256.434 2.369 10 0 CEAEHO CO[C@H]1CN(CCC2CCCCC2)[C@@](C)(C[NH3+])C1 ZINC000630359952 351711285 /nfs/dbraw/zinc/71/12/85/351711285.db2.gz NVZOZTPOCDHLIC-HUUCEWRRSA-N 1 3 254.418 2.395 10 0 CEAEHO CO[C@@H]1CN(CCC2CCCCC2)[C@@](C)(C[NH3+])C1 ZINC000630359954 351711735 /nfs/dbraw/zinc/71/17/35/351711735.db2.gz NVZOZTPOCDHLIC-LSDHHAIUSA-N 1 3 254.418 2.395 10 0 CEAEHO CCC[C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)N(C)C ZINC000132412832 366142160 /nfs/dbraw/zinc/14/21/60/366142160.db2.gz CKWFJBZMQTVJHV-INIZCTEOSA-N 1 3 295.471 2.240 10 0 CEAEHO COc1cccc([C@H](CN[C@@H]2CCC[NH2+]CC2)N(C)C)c1 ZINC000133525657 366232783 /nfs/dbraw/zinc/23/27/83/366232783.db2.gz KIJGKXHYORIQLE-WBVHZDCISA-N 1 3 291.439 2.030 10 0 CEAEHO C[C@@H]([NH2+]CCCOc1ccccc1)[C@H]1CCCNC1 ZINC000578004987 366428713 /nfs/dbraw/zinc/42/87/13/366428713.db2.gz ZCGRRXCNDLBPHP-CABCVRRESA-N 1 3 262.397 2.433 10 0 CEAEHO C[C@@H](NCCCOc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000578004987 366428716 /nfs/dbraw/zinc/42/87/16/366428716.db2.gz ZCGRRXCNDLBPHP-CABCVRRESA-N 1 3 262.397 2.433 10 0 CEAEHO CCCC[NH+]1CCC(NC(=O)[C@H](CCC)N(C)C)CC1 ZINC000162078689 367136188 /nfs/dbraw/zinc/13/61/88/367136188.db2.gz CNHFOERNDFJWIY-HNNXBMFYSA-N 1 3 283.460 2.097 10 0 CEAEHO CCC[C@H](C(=O)NCc1ccccc1C[NH+](C)C)N(C)C ZINC000162129445 367139268 /nfs/dbraw/zinc/13/92/68/367139268.db2.gz QNBVXYBKEFJHPK-MRXNPFEDSA-N 1 3 291.439 2.095 10 0 CEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)N1CCCCCC1 ZINC000245437225 370819920 /nfs/dbraw/zinc/81/99/20/370819920.db2.gz WHZLLCWFNSVMDB-JKSUJKDBSA-N 1 3 295.471 2.194 10 0 CEAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)N1CCCCCC1 ZINC000245437225 370819925 /nfs/dbraw/zinc/81/99/25/370819925.db2.gz WHZLLCWFNSVMDB-JKSUJKDBSA-N 1 3 295.471 2.194 10 0 CEAEHO C[C@H]1CN(CCC(=O)Nc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000631841914 367582667 /nfs/dbraw/zinc/58/26/67/367582667.db2.gz RQKKXOAHVCSUQG-NWDGAFQWSA-N 1 3 295.814 2.195 10 0 CEAEHO CN1CCC[C@@H]1CC[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249570537 371338978 /nfs/dbraw/zinc/33/89/78/371338978.db2.gz OEAPCVKAMAFOJO-XHSDSOJGSA-N 1 3 294.464 2.240 10 0 CEAEHO CN1CCC[C@@H]1CC[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249570537 371338981 /nfs/dbraw/zinc/33/89/81/371338981.db2.gz OEAPCVKAMAFOJO-XHSDSOJGSA-N 1 3 294.464 2.240 10 0 CEAEHO C[C@H]1CN(C2CCN(Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000251799387 371416292 /nfs/dbraw/zinc/41/62/92/371416292.db2.gz NVUZAYKSGKAUQA-MAUKXSAKSA-N 1 3 287.451 2.320 10 0 CEAEHO c1ccc2c(c1)nccc2N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261612422 371677453 /nfs/dbraw/zinc/67/74/53/371677453.db2.gz SPQMTWKCVZTQGD-TZMCWYRMSA-N 1 3 253.349 2.423 10 0 CEAEHO COCc1cccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261584688 371662630 /nfs/dbraw/zinc/66/26/30/371662630.db2.gz HXTSQLUYRXUONQ-HRCADAONSA-N 1 3 260.381 2.002 10 0 CEAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCOc3cccc(Cl)c3)C[C@H]12 ZINC000261658563 371694379 /nfs/dbraw/zinc/69/43/79/371694379.db2.gz YWERCUJDMZJNLB-BYCMXARLSA-N 1 3 280.799 2.388 10 0 CEAEHO COc1ccc([C@@H](C)CN2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000262044572 371810493 /nfs/dbraw/zinc/81/04/93/371810493.db2.gz PNWHHDZNPQQOIH-WMLDXEAASA-N 1 3 274.408 2.484 10 0 CEAEHO c1ccc(CN2CCCC[C@@H]2CNC2CC[NH2+]CC2)cc1 ZINC000379618823 375154732 /nfs/dbraw/zinc/15/47/32/375154732.db2.gz AQXXASLAFGHKIR-GOSISDBHSA-N 1 3 287.451 2.383 10 0 CEAEHO CN(CCC[NH+](C)C)[C@H](CN)c1cc(Cl)cs1 ZINC000093095909 184649009 /nfs/dbraw/zinc/64/90/09/184649009.db2.gz XBFGOPIEWWDLOM-LLVKDONJSA-N 1 3 275.849 2.285 10 0 CEAEHO COc1ccc(CN(C)C)cc1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000093211926 184656237 /nfs/dbraw/zinc/65/62/37/184656237.db2.gz BWDLVXPGKAODRU-UONOGXRCSA-N 1 3 277.412 2.439 10 0 CEAEHO Cc1csc([C@@H](C)NCC[C@@H]2CCC[NH2+]C2)n1 ZINC000080311885 177639128 /nfs/dbraw/zinc/63/91/28/177639128.db2.gz DARNCYHOXCNVNF-NEPJUHHUSA-N 1 3 253.415 2.492 10 0 CEAEHO CC(C)[NH2+]C[C@@H](C(C)C)N1CCN2CCCC[C@@H]2C1 ZINC000094443468 184801359 /nfs/dbraw/zinc/80/13/59/184801359.db2.gz KMMXDZGUZGGUOS-CVEARBPZSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[NH2+][C@@H]1[C@@H](CN2CCN(C(C)C)CC2)CCC1(C)C ZINC000094316573 184779005 /nfs/dbraw/zinc/77/90/05/184779005.db2.gz BGOVSIZJUHZOCL-HZPDHXFCSA-N 1 3 281.488 2.427 10 0 CEAEHO Cc1csc(CCNC[C@@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000094755018 184854348 /nfs/dbraw/zinc/85/43/48/184854348.db2.gz HXUCZEZBSAEQFN-STQMWFEESA-N 1 3 267.442 2.491 10 0 CEAEHO [NH3+][C@H]1CCC[C@H]1CCN1CCN(c2ccccc2)CC1 ZINC000093551573 135081761 /nfs/dbraw/zinc/08/17/61/135081761.db2.gz SUJFKORTSBVGFC-RDJZCZTQSA-N 1 3 273.424 2.326 10 0 CEAEHO CC[NH2+]Cc1ccnc(N2C[C@H]3CCCCN3C[C@@H]2C)c1 ZINC000094443269 135088588 /nfs/dbraw/zinc/08/85/88/135088588.db2.gz CDSDCCZCGPVAAF-GOEBONIOSA-N 1 3 288.439 2.254 10 0 CEAEHO C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC[C@@H]2C[NH2+]C[C@H]2O)C1 ZINC000263314936 394628214 /nfs/dbraw/zinc/62/82/14/394628214.db2.gz ZIOGZXDSOPPPCL-SRVCANOKSA-N 1 3 288.435 2.129 10 0 CEAEHO COc1ccccc1C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414833161 394760076 /nfs/dbraw/zinc/76/00/76/394760076.db2.gz RCGRUBJTSAMYDO-SLHHOWHOSA-N 1 3 274.408 2.499 10 0 CEAEHO CCC[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)N(C)C ZINC000162312729 395073396 /nfs/dbraw/zinc/07/33/96/395073396.db2.gz BSBJZSGRWDWATN-JKSUJKDBSA-N 1 3 295.471 2.051 10 0 CEAEHO Cc1cccc([C@@H](C[NH3+])N2CCN(CC(C)C)CC2)c1 ZINC000020179467 171044160 /nfs/dbraw/zinc/04/41/60/171044160.db2.gz VKOZWOXMYJTPJA-QGZVFWFLSA-N 1 3 275.440 2.268 10 0 CEAEHO CC(C)CN1CCN([C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000020179520 171044255 /nfs/dbraw/zinc/04/42/55/171044255.db2.gz LSFNRHVCEUPYJH-INIZCTEOSA-N 1 3 279.403 2.099 10 0 CEAEHO C[C@H]1CCCC[N@@H+]1CCCNCCc1ccccn1 ZINC000037491935 173232820 /nfs/dbraw/zinc/23/28/20/173232820.db2.gz TYGSOUYEPZSKSX-HNNXBMFYSA-N 1 3 261.413 2.478 10 0 CEAEHO C[C@H]1CCCC[N@H+]1CCCNCCc1ccccn1 ZINC000037491935 173232822 /nfs/dbraw/zinc/23/28/22/173232822.db2.gz TYGSOUYEPZSKSX-HNNXBMFYSA-N 1 3 261.413 2.478 10 0 CEAEHO C[C@H]1CCCCN1CCC[NH2+]CCc1ccccn1 ZINC000037491935 173232824 /nfs/dbraw/zinc/23/28/24/173232824.db2.gz TYGSOUYEPZSKSX-HNNXBMFYSA-N 1 3 261.413 2.478 10 0 CEAEHO C[C@@H]([NH2+]CCN1CCCCCC1)[C@H]1CCCN(C)C1 ZINC000040767732 174398091 /nfs/dbraw/zinc/39/80/91/174398091.db2.gz NRKUNMSHTOQDIK-CVEARBPZSA-N 1 3 267.461 2.182 10 0 CEAEHO COCCN(Cc1cccc(C(N)=[NH2+])c1)[C@@H](C)C1CC1 ZINC000042680002 174834567 /nfs/dbraw/zinc/83/45/67/174834567.db2.gz XLVXATAQBSNYPM-LBPRGKRZSA-N 1 3 275.396 2.218 10 0 CEAEHO CC[C@H]([NH3+])[C@@H](c1ccccn1)N1CCN(C(C)(C)C)CC1 ZINC000043340026 175013623 /nfs/dbraw/zinc/01/36/23/175013623.db2.gz UYGQAYURGMTQDQ-HOCLYGCPSA-N 1 3 290.455 2.276 10 0 CEAEHO CC[C@H]([NH3+])[C@@H](c1cccnc1)N1CCN(C(C)(C)C)CC1 ZINC000043347511 175017973 /nfs/dbraw/zinc/01/79/73/175017973.db2.gz CGTXGVFQUKOJMJ-JKSUJKDBSA-N 1 3 290.455 2.276 10 0 CEAEHO CC[C@@H]([NH3+])[C@H](c1cccnc1)N(CCN(C)C)CC(C)C ZINC000043348618 175018716 /nfs/dbraw/zinc/01/87/16/175018716.db2.gz JKIAMMUQVODGAQ-SJORKVTESA-N 1 3 292.471 2.380 10 0 CEAEHO CC[NH2+][C@H]1c2ccccc2C[C@H]1N(C)C1CCN(C)CC1 ZINC000043815352 175112499 /nfs/dbraw/zinc/11/24/99/175112499.db2.gz ASIDSLZKTLAGCK-MSOLQXFVSA-N 1 3 287.451 2.288 10 0 CEAEHO C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)N1CCCN(C)CC1 ZINC000043818166 175112859 /nfs/dbraw/zinc/11/28/59/175112859.db2.gz ZUNHYLLFXFACMM-DOTOQJQBSA-N 1 3 275.440 2.282 10 0 CEAEHO CC[NH2+][C@H](c1ccccc1)[C@@H](C)N1CCCN(C)CC1 ZINC000043818306 175112967 /nfs/dbraw/zinc/11/29/67/175112967.db2.gz ZQCAMCNAHSJPHR-WBVHZDCISA-N 1 3 275.440 2.363 10 0 CEAEHO C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)N1CCCN(C)CC1 ZINC000043818164 175113001 /nfs/dbraw/zinc/11/30/01/175113001.db2.gz ZUNHYLLFXFACMM-WBVHZDCISA-N 1 3 275.440 2.282 10 0 CEAEHO CCC[NH2+][C@H]1CCCC[C@H]1N1CCN(C(C)C)CC1 ZINC000043897212 175120109 /nfs/dbraw/zinc/12/01/09/175120109.db2.gz WYRKVOVEBFGDFA-JKSUJKDBSA-N 1 3 267.461 2.323 10 0 CEAEHO C[NH2+][C@H]1CCCCC[C@@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965463 175126690 /nfs/dbraw/zinc/12/66/90/175126690.db2.gz GZMQWUMCLDWLJS-GJZGRUSLSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CCN(CC2CC2)CC1 ZINC000043967919 175129375 /nfs/dbraw/zinc/12/93/75/175129375.db2.gz CSULSQHHWBWVLF-UAGQMJEPSA-N 1 3 279.472 2.181 10 0 CEAEHO CCCC(C[NH3+])(CCC)C(=O)N[C@@H](CN(C)C)C(C)C ZINC000044806019 175256642 /nfs/dbraw/zinc/25/66/42/175256642.db2.gz JLQIXXRXWKDTDV-AWEZNQCLSA-N 1 3 285.476 2.234 10 0 CEAEHO CCN[C@@](C)(CCCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379614 175368556 /nfs/dbraw/zinc/36/85/56/175368556.db2.gz IBLIUIHYCZUBQN-LZWOXQAQSA-N 1 3 283.460 2.273 10 0 CEAEHO CCN[C@@](C)(CCCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379614 175368557 /nfs/dbraw/zinc/36/85/57/175368557.db2.gz IBLIUIHYCZUBQN-LZWOXQAQSA-N 1 3 283.460 2.273 10 0 CEAEHO C[N@H+](CCC[C@@](C)(NC1CC1)C(N)=O)C1CCCCC1 ZINC000045379175 175368609 /nfs/dbraw/zinc/36/86/09/175368609.db2.gz IJQYQTMOLLSXDM-MRXNPFEDSA-N 1 3 281.444 2.027 10 0 CEAEHO C[N@@H+](CCC[C@@](C)(NC1CC1)C(N)=O)C1CCCCC1 ZINC000045379175 175368610 /nfs/dbraw/zinc/36/86/10/175368610.db2.gz IJQYQTMOLLSXDM-MRXNPFEDSA-N 1 3 281.444 2.027 10 0 CEAEHO CO[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000665283060 415673675 /nfs/dbraw/zinc/67/36/75/415673675.db2.gz HAXBHGLRRXPVIA-AEGPPILISA-N 1 3 254.418 2.169 10 0 CEAEHO CC[NH+](CC)CCC[C@H](C)N1CCC[C@H](NC2CC2)C1=O ZINC000071038105 176026643 /nfs/dbraw/zinc/02/66/43/176026643.db2.gz ATOKZROJTGIASE-HOCLYGCPSA-N 1 3 295.471 2.240 10 0 CEAEHO C[C@H](N)c1cc(F)ccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189390 176064343 /nfs/dbraw/zinc/06/43/43/176064343.db2.gz FVCZEYJARCIPLQ-NWDGAFQWSA-N 1 3 265.376 2.233 10 0 CEAEHO C[C@H](N)c1cc(F)ccc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189390 176064344 /nfs/dbraw/zinc/06/43/44/176064344.db2.gz FVCZEYJARCIPLQ-NWDGAFQWSA-N 1 3 265.376 2.233 10 0 CEAEHO CN(Cc1c2ccccc2oc1CN)C[C@@H]1CC[N@H+](C)C1 ZINC000071191807 176072270 /nfs/dbraw/zinc/07/22/70/176072270.db2.gz SDJUPFSYEZTHNL-CYBMUJFWSA-N 1 3 287.407 2.275 10 0 CEAEHO CN(Cc1c2ccccc2oc1CN)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191807 176072271 /nfs/dbraw/zinc/07/22/71/176072271.db2.gz SDJUPFSYEZTHNL-CYBMUJFWSA-N 1 3 287.407 2.275 10 0 CEAEHO CN1CC[C@@H](C[N@H+](C)Cc2c3ccccc3oc2CN)C1 ZINC000071191807 176072273 /nfs/dbraw/zinc/07/22/73/176072273.db2.gz SDJUPFSYEZTHNL-CYBMUJFWSA-N 1 3 287.407 2.275 10 0 CEAEHO CN1CC[C@@H](C[N@@H+](C)Cc2c3ccccc3oc2CN)C1 ZINC000071191807 176072274 /nfs/dbraw/zinc/07/22/74/176072274.db2.gz SDJUPFSYEZTHNL-CYBMUJFWSA-N 1 3 287.407 2.275 10 0 CEAEHO Cc1oc(CN(C)C[C@H]2CC[N@H+](C)C2)cc1CNC(C)C ZINC000071191949 176072484 /nfs/dbraw/zinc/07/24/84/176072484.db2.gz JYJZPPRNPHOENE-HNNXBMFYSA-N 1 3 293.455 2.470 10 0 CEAEHO Cc1oc(CN(C)C[C@H]2CC[N@@H+](C)C2)cc1CNC(C)C ZINC000071191949 176072485 /nfs/dbraw/zinc/07/24/85/176072485.db2.gz JYJZPPRNPHOENE-HNNXBMFYSA-N 1 3 293.455 2.470 10 0 CEAEHO CCC[NH+]1CCC([C@@H](C)NCc2nccn2C)CC1 ZINC000071273173 176105411 /nfs/dbraw/zinc/10/54/11/176105411.db2.gz STAVWIZQWNLSDU-CYBMUJFWSA-N 1 3 264.417 2.020 10 0 CEAEHO CCC[C@H]1CN[C@](C)(CC)C[N@@H+]1CCn1ccnc1C ZINC000071356833 176136792 /nfs/dbraw/zinc/13/67/92/176136792.db2.gz XFWLTABULOIXDE-JKSUJKDBSA-N 1 3 278.444 2.434 10 0 CEAEHO CCC[C@H]1CN[C@](C)(CC)C[N@H+]1CCn1ccnc1C ZINC000071356833 176136794 /nfs/dbraw/zinc/13/67/94/176136794.db2.gz XFWLTABULOIXDE-JKSUJKDBSA-N 1 3 278.444 2.434 10 0 CEAEHO CC(C)[C@H](CNC(=O)[C@H]1CCCCN1)[NH+]1CCC(C)CC1 ZINC000236721513 277896750 /nfs/dbraw/zinc/89/67/50/277896750.db2.gz HLRCJOPOMGSKJF-CVEARBPZSA-N 1 3 295.471 2.001 10 0 CEAEHO CCC[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)N(C)C ZINC000136099056 280057852 /nfs/dbraw/zinc/05/78/52/280057852.db2.gz YILRSVIEIFJHRT-JKSUJKDBSA-N 1 3 297.487 2.345 10 0 CEAEHO CCC[C@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)N(C)C ZINC000136099056 280057854 /nfs/dbraw/zinc/05/78/54/280057854.db2.gz YILRSVIEIFJHRT-JKSUJKDBSA-N 1 3 297.487 2.345 10 0 CEAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000246085282 280272580 /nfs/dbraw/zinc/27/25/80/280272580.db2.gz IHSGDPILJSBIKE-XUWVNRHRSA-N 1 3 297.487 2.340 10 0 CEAEHO CCC[C@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)N(C)C ZINC000154690403 289152968 /nfs/dbraw/zinc/15/29/68/289152968.db2.gz MYQFMVISGPXFCJ-CQSZACIVSA-N 1 3 283.460 2.096 10 0 CEAEHO C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCNC1 ZINC000566967550 299032096 /nfs/dbraw/zinc/03/20/96/299032096.db2.gz GWMZKUWRQGAZHN-XLWJZTARSA-N 1 3 254.418 2.168 10 0 CEAEHO C[C@@H](C[NH2+]C1CCNCC1)COCc1ccccc1 ZINC000389931493 321893130 /nfs/dbraw/zinc/89/31/30/321893130.db2.gz DXYCSHJAVSJQDN-AWEZNQCLSA-N 1 3 262.397 2.181 10 0 CEAEHO C[C@@H]1C[C@@]2(CN)C[N@H+](Cc3ccccc3)CC[C@H]2O1 ZINC000536961251 330384253 /nfs/dbraw/zinc/38/42/53/330384253.db2.gz WPMADSWDBYDZNZ-FVQBIDKESA-N 1 3 260.381 2.015 10 0 CEAEHO C[C@@H]1C[C@@]2(CN)C[N@@H+](Cc3ccccc3)CC[C@H]2O1 ZINC000536961251 330384254 /nfs/dbraw/zinc/38/42/54/330384254.db2.gz WPMADSWDBYDZNZ-FVQBIDKESA-N 1 3 260.381 2.015 10 0 CEAEHO CC(C)NCc1occc1COCCC[NH+](C)C ZINC000052672408 519730097 /nfs/dbraw/zinc/73/00/97/519730097.db2.gz UFPZCXJHMFVXHX-UHFFFAOYSA-N 1 3 254.374 2.246 10 0 CEAEHO CCNCc1ccoc1COCC[C@H]1CCC[N@H+]1C ZINC000052673143 520013452 /nfs/dbraw/zinc/01/34/52/520013452.db2.gz PRXZSGMCFUOYIQ-CQSZACIVSA-N 1 3 266.385 2.390 10 0 CEAEHO CCNCc1ccoc1COCC[C@H]1CCC[N@@H+]1C ZINC000052673143 520013447 /nfs/dbraw/zinc/01/34/47/520013447.db2.gz PRXZSGMCFUOYIQ-CQSZACIVSA-N 1 3 266.385 2.390 10 0 CEAEHO CCC[NH2+][C@H](CN1CCN([C@H](C)CC)CC1)C1CC1 ZINC000069075030 520082884 /nfs/dbraw/zinc/08/28/84/520082884.db2.gz OAQLYSLJHJSICI-GDBMZVCRSA-N 1 3 267.461 2.181 10 0 CEAEHO CCO[C@@H]1CCCN(Cc2cccc(C[NH2+]C)c2)C1 ZINC000052372121 520320504 /nfs/dbraw/zinc/32/05/04/520320504.db2.gz CBRPKGWGTHQZRF-MRXNPFEDSA-N 1 3 262.397 2.407 10 0 CEAEHO CCN(CC)CCc1nc(C)c([C@@H](C)C[NH2+]C)c(C)n1 ZINC000054854646 520710816 /nfs/dbraw/zinc/71/08/16/520710816.db2.gz NFYWBPVOBOIZKE-LBPRGKRZSA-N 1 3 278.444 2.301 10 0 CEAEHO CCC[C@@]1(CN2CCN(CC(C)C)CC2)CC[NH2+]C1 ZINC000062912442 520958083 /nfs/dbraw/zinc/95/80/83/520958083.db2.gz WNXBCTZSUMXMRC-MRXNPFEDSA-N 1 3 267.461 2.040 10 0 CEAEHO CC[C@@H](C)N1CCN(CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000055083583 522119269 /nfs/dbraw/zinc/11/92/69/522119269.db2.gz YNQSGYYAQZYHMM-CVEARBPZSA-N 1 3 267.461 2.325 10 0 CEAEHO CC(C)CC[C@H](C)[NH2+]CCN1CCC[C@@H]1CN(C)C ZINC000061655089 519691488 /nfs/dbraw/zinc/69/14/88/519691488.db2.gz WCPIWBYWUADLIH-JKSUJKDBSA-N 1 3 269.477 2.427 10 0 CEAEHO CC(C)CN1CCN([C@@H]2CCCCC[C@H]2C[NH3+])CC1 ZINC000055077566 519727509 /nfs/dbraw/zinc/72/75/09/519727509.db2.gz CBBJEKZAXYQOER-JKSUJKDBSA-N 1 3 267.461 2.168 10 0 CEAEHO CC(C)NCc1occc1COC1CC[NH+](C)CC1 ZINC000052596668 519730149 /nfs/dbraw/zinc/73/01/49/519730149.db2.gz LOFYHBPCFRDOMI-UHFFFAOYSA-N 1 3 266.385 2.388 10 0 CEAEHO CC(C)C[NH2+]C[C@H](OC1CCN(C)CC1)C(C)C ZINC000052596464 519746036 /nfs/dbraw/zinc/74/60/36/519746036.db2.gz AVNFMRPCYPNTTR-HNNXBMFYSA-N 1 3 256.434 2.367 10 0 CEAEHO CC(C)CNCc1nc(COCCC[NH+](C)C)cs1 ZINC000052672196 519748421 /nfs/dbraw/zinc/74/84/21/519748421.db2.gz LEZPMAJZHFHOGT-UHFFFAOYSA-N 1 3 285.457 2.357 10 0 CEAEHO CCCN1CCN(CCCC[NH2+]C(C)(C)C)CC1 ZINC000052421718 519857711 /nfs/dbraw/zinc/85/77/11/519857711.db2.gz QAYOIESKFAEBPP-UHFFFAOYSA-N 1 3 255.450 2.182 10 0 CEAEHO CCC1CCC(CN)([N@@H+]2CCC[C@H]2CN(C)C)CC1 ZINC000061642996 519850743 /nfs/dbraw/zinc/85/07/43/519850743.db2.gz JMVMVFMYSJCPKK-PCKAHOCUSA-N 1 3 267.461 2.310 10 0 CEAEHO CCC1CCC(CN)([N@H+]2CCC[C@H]2CN(C)C)CC1 ZINC000061642996 519850744 /nfs/dbraw/zinc/85/07/44/519850744.db2.gz JMVMVFMYSJCPKK-PCKAHOCUSA-N 1 3 267.461 2.310 10 0 CEAEHO CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCCCOC ZINC000054628879 519907369 /nfs/dbraw/zinc/90/73/69/519907369.db2.gz UQXKTZQXMSFBHX-GOOCMWNKSA-N 1 3 254.418 2.408 10 0 CEAEHO CC[NH2+]C(C)(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000061291232 519907634 /nfs/dbraw/zinc/90/76/34/519907634.db2.gz HLZPSAAEPFKEAV-UHFFFAOYSA-N 1 3 263.385 2.075 10 0 CEAEHO CCC[NH2+]CC(C)(C)CN1CCC[C@H]1CCCO ZINC000052763378 519908496 /nfs/dbraw/zinc/90/84/96/519908496.db2.gz OOFRBKWMOQAREP-AWEZNQCLSA-N 1 3 256.434 2.249 10 0 CEAEHO CCC[NH2+]CC1(CN2CCC[C@H]2C)CCOCC1 ZINC000052180441 519911421 /nfs/dbraw/zinc/91/14/21/519911421.db2.gz YOAOXFNURSPEJX-CQSZACIVSA-N 1 3 254.418 2.267 10 0 CEAEHO CCNCC1(C[N@@H+]2CCC[C@H]2CC)CCOCC1 ZINC000052180403 519912564 /nfs/dbraw/zinc/91/25/64/519912564.db2.gz AKUMMWIHVYKJSX-CQSZACIVSA-N 1 3 254.418 2.267 10 0 CEAEHO CCNCC1(C[N@H+]2CCC[C@H]2CC)CCOCC1 ZINC000052180403 519912566 /nfs/dbraw/zinc/91/25/66/519912566.db2.gz AKUMMWIHVYKJSX-CQSZACIVSA-N 1 3 254.418 2.267 10 0 CEAEHO CC[NH2+]CCC(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000061286850 519916168 /nfs/dbraw/zinc/91/61/68/519916168.db2.gz NBYZCMQCHXNRRM-INIZCTEOSA-N 1 3 291.439 2.185 10 0 CEAEHO CCC[NH2+]C[C@@H](C)CN(CCOC)[C@@H](C)C1CC1 ZINC000052545307 519919909 /nfs/dbraw/zinc/91/99/09/519919909.db2.gz PODXPSUUXGPNCQ-KGLIPLIRSA-N 1 3 256.434 2.369 10 0 CEAEHO CCC[NH2+]C[C@H](C(C)C)N1CCN(CCC)CC1 ZINC000052421695 519929797 /nfs/dbraw/zinc/92/97/97/519929797.db2.gz AWFQEMKKQBHUNQ-OAHLLOKOSA-N 1 3 255.450 2.038 10 0 CEAEHO CCC[NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1 ZINC000052422467 519948152 /nfs/dbraw/zinc/94/81/52/519948152.db2.gz NTLZAZISYLOOLW-UHFFFAOYSA-N 1 3 275.440 2.324 10 0 CEAEHO CCC[NH2+][C@@H](C)[C@@H](C)N1CCN(CC(C)C)CC1 ZINC000055079413 519986430 /nfs/dbraw/zinc/98/64/30/519986430.db2.gz ZZVRKHODTNUDQC-LSDHHAIUSA-N 1 3 255.450 2.037 10 0 CEAEHO CC[NH2+]Cc1ccc(CN2CCN(CC(C)C)CC2)o1 ZINC000055082753 519996686 /nfs/dbraw/zinc/99/66/86/519996686.db2.gz BUPSQHJTGJKITQ-UHFFFAOYSA-N 1 3 279.428 2.163 10 0 CEAEHO CC[NH2+]Cc1ccc(OCCN(C)[C@H](C)COC)cc1 ZINC000052511661 519999284 /nfs/dbraw/zinc/99/92/84/519999284.db2.gz GXZHEXCUKMSGCC-CQSZACIVSA-N 1 3 280.412 2.142 10 0 CEAEHO CCC[NH2+][C@@H]1CCC[C@H]1N1CCN([C@@H](C)CC)CC1 ZINC000055066067 520022226 /nfs/dbraw/zinc/02/22/26/520022226.db2.gz AFVGASNFJIYJMV-ARFHVFGLSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[NH2+][C@H](CN1CCN([C@H](C)CC)CC1)C(C)(C)C ZINC000055065949 520198935 /nfs/dbraw/zinc/19/89/35/520198935.db2.gz KAVOFMLAVSPVIO-HUUCEWRRSA-N 1 3 269.477 2.427 10 0 CEAEHO CCN(CC1CC1)C[C@@]1(C[NH2+]C(C)C)CCOC1 ZINC000069239953 520957582 /nfs/dbraw/zinc/95/75/82/520957582.db2.gz FVDPHRDUQZMSOC-HNNXBMFYSA-N 1 3 254.418 2.123 10 0 CEAEHO CC[N@H+](CC1CC1)C[C@@]1(CNC(C)C)CCOC1 ZINC000069239953 520957585 /nfs/dbraw/zinc/95/75/85/520957585.db2.gz FVDPHRDUQZMSOC-HNNXBMFYSA-N 1 3 254.418 2.123 10 0 CEAEHO CC[N@@H+](CC1CC1)C[C@@]1(CNC(C)C)CCOC1 ZINC000069239953 520957592 /nfs/dbraw/zinc/95/75/92/520957592.db2.gz FVDPHRDUQZMSOC-HNNXBMFYSA-N 1 3 254.418 2.123 10 0 CEAEHO CCC[C@H](C)[NH2+]CCN1CCN([C@H](C)CC)CC1 ZINC000055075352 521060928 /nfs/dbraw/zinc/06/09/28/521060928.db2.gz ZIPZHKCBVWTGRB-LSDHHAIUSA-N 1 3 255.450 2.181 10 0 CEAEHO CCN(Cc1cc(C)c(C[NH2+]C)o1)[C@@H](C)COC ZINC000052505149 521286271 /nfs/dbraw/zinc/28/62/71/521286271.db2.gz FOKVPOQRJDVLBL-LBPRGKRZSA-N 1 3 254.374 2.164 10 0 CEAEHO CCN(Cc1ccoc1C[NH2+]C1CC1)[C@H](C)COC ZINC000052504835 521424283 /nfs/dbraw/zinc/42/42/83/521424283.db2.gz IQRBZTDHBQQRHQ-GFCCVEGCSA-N 1 3 266.385 2.388 10 0 CEAEHO CCC[N@H+](CCCN)CCCOCC(F)(F)F ZINC000049312077 521652905 /nfs/dbraw/zinc/65/29/05/521652905.db2.gz OELRRZXAGOGACK-UHFFFAOYSA-N 1 3 256.312 2.016 10 0 CEAEHO CCC[N@@H+](CCCN)CCCOCC(F)(F)F ZINC000049312077 521652907 /nfs/dbraw/zinc/65/29/07/521652907.db2.gz OELRRZXAGOGACK-UHFFFAOYSA-N 1 3 256.312 2.016 10 0 CEAEHO CCCN(CCC[NH3+])CCCOCC(F)(F)F ZINC000049312077 521652909 /nfs/dbraw/zinc/65/29/09/521652909.db2.gz OELRRZXAGOGACK-UHFFFAOYSA-N 1 3 256.312 2.016 10 0 CEAEHO C[NH2+]CCC[C@H](C)N1CCN(c2ccccc2OC)CC1 ZINC000052422932 522001252 /nfs/dbraw/zinc/00/12/52/522001252.db2.gz FTBCCCYQIPYZRF-HNNXBMFYSA-N 1 3 291.439 2.205 10 0 CEAEHO C[NH+](C)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2CN)C1 ZINC000062963681 522055781 /nfs/dbraw/zinc/05/57/81/522055781.db2.gz XQAVIRLRSNDGPD-GFCCVEGCSA-N 1 3 287.329 2.304 10 0 CEAEHO C[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2cccc(C)c2)O1 ZINC000052346044 522092969 /nfs/dbraw/zinc/09/29/69/522092969.db2.gz WBSKMMQJSNDPEF-CVEARBPZSA-N 1 3 262.397 2.194 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000055083391 522124294 /nfs/dbraw/zinc/12/42/94/522124294.db2.gz KEYZGGFOZBUBII-QAPCUYQASA-N 1 3 287.451 2.117 10 0 CEAEHO CC[C@@H](C)N1CCN([C@H](C[NH3+])c2ccccc2OC)CC1 ZINC000055063641 522131962 /nfs/dbraw/zinc/13/19/62/522131962.db2.gz FCWROGPQROWBMC-GDBMZVCRSA-N 1 3 291.439 2.111 10 0 CEAEHO CC[C@H](C[NH2+]C(C)C)N1CCN([C@@H](C)CC)CC1 ZINC000055074621 522192767 /nfs/dbraw/zinc/19/27/67/522192767.db2.gz DJOZEROGHLKLMY-LSDHHAIUSA-N 1 3 255.450 2.179 10 0 CEAEHO CC[C@H](N)[C@@H]([N@@H+]1CCC[C@@H]1CN(C)C)C(C)(C)C ZINC000061642082 522337124 /nfs/dbraw/zinc/33/71/24/522337124.db2.gz KELVUULDMLVHRU-HZSPNIEDSA-N 1 3 255.450 2.164 10 0 CEAEHO CC[C@H](N)[C@@H]([N@H+]1CCC[C@@H]1CN(C)C)C(C)(C)C ZINC000061642082 522337134 /nfs/dbraw/zinc/33/71/34/522337134.db2.gz KELVUULDMLVHRU-HZSPNIEDSA-N 1 3 255.450 2.164 10 0 CEAEHO C[NH2+][C@H]1CCCCC[C@H]1N1CCN(C2CCCC2)CC1 ZINC000052061085 522490467 /nfs/dbraw/zinc/49/04/67/522490467.db2.gz LWFSQOSONDBKDW-DLBZAZTESA-N 1 3 279.472 2.467 10 0 CEAEHO C[NH2+][C@H]1c2ccccc2C[C@H]1N1CCN(CC(C)C)CC1 ZINC000055078854 522510232 /nfs/dbraw/zinc/51/02/32/522510232.db2.gz GNVLYRGHKDJUMH-MSOLQXFVSA-N 1 3 287.451 2.145 10 0 CEAEHO CC[C@@H](C[NH2+]C(C)C)N1CCN(C2CCCC2)CC1 ZINC000052573465 522542855 /nfs/dbraw/zinc/54/28/55/522542855.db2.gz XPRIAWFJBCEESK-HNNXBMFYSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@H](C)N1CCN(CC[NH2+]CCC(C)(C)C)CC1 ZINC000055075486 523953992 /nfs/dbraw/zinc/95/39/92/523953992.db2.gz ZZWMSPWLQLQGOY-HNNXBMFYSA-N 1 3 269.477 2.428 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@H]([NH3+])c2ccccc2C)CC1 ZINC000055065411 523955249 /nfs/dbraw/zinc/95/52/49/523955249.db2.gz BBJVGCHAVCQMHQ-RDJZCZTQSA-N 1 3 275.440 2.411 10 0 CEAEHO CC[C@H](C)N1CCN(C[C@H]([NH2+]C)c2ccccc2)CC1 ZINC000055065327 523955345 /nfs/dbraw/zinc/95/53/45/523955345.db2.gz FKSPYTBBGXVPAS-RDJZCZTQSA-N 1 3 275.440 2.363 10 0 CEAEHO CC[C@H](C)N1CCN([C@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000055063891 523959620 /nfs/dbraw/zinc/95/96/20/523959620.db2.gz HEGCSDMUIRIOSP-XJKSGUPXSA-N 1 3 279.403 2.242 10 0 CEAEHO C[NH+](C)CCCOCc1csc(CNC(C)(C)C)n1 ZINC000052672194 524058357 /nfs/dbraw/zinc/05/83/57/524058357.db2.gz KOLZHSIKMKLZGJ-UHFFFAOYSA-N 1 3 285.457 2.500 10 0 CEAEHO C[C@H](CCN(C)C)[NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000049553680 524168477 /nfs/dbraw/zinc/16/84/77/524168477.db2.gz UKKJRTPWPIPLEA-NEPJUHHUSA-N 1 3 291.395 2.008 10 0 CEAEHO C[C@@H]1C[C@@H]1c1ccc([C@@H](CN)N2CC[C@H]([NH+](C)C)C2)o1 ZINC000062964629 525344767 /nfs/dbraw/zinc/34/47/67/525344767.db2.gz LKRYIQVUKKEWDZ-ZOBORPQBSA-N 1 3 277.412 2.039 10 0 CEAEHO Cc1ccccc1[C@@H]([NH3+])CCN1CCCN(C)CC1 ZINC000054016442 525366316 /nfs/dbraw/zinc/36/63/16/525366316.db2.gz FDRKRGZRMPEAMU-INIZCTEOSA-N 1 3 261.413 2.022 10 0 CEAEHO Cc1cc([C@H](C[NH3+])N2CCN(CC3CC3)CC2)ccc1F ZINC000050546351 525536815 /nfs/dbraw/zinc/53/68/15/525536815.db2.gz FRDFZCNELONGGE-KRWDZBQOSA-N 1 3 291.414 2.162 10 0 CEAEHO C[C@H]1CCCC[C@@]1(C[NH3+])N1CCN(C2CCCC2)CC1 ZINC000052060803 526259787 /nfs/dbraw/zinc/25/97/87/526259787.db2.gz HFATYKMOPKKOEE-RDJZCZTQSA-N 1 3 279.472 2.454 10 0 CEAEHO c1cc(CN2CCN(C3CC3)CC2)ccc1C[NH2+]C1CC1 ZINC000052371383 526424824 /nfs/dbraw/zinc/42/48/24/526424824.db2.gz PDLFFDGIYCPXJV-UHFFFAOYSA-N 1 3 285.435 2.219 10 0 CEAEHO c1ccc(N2CCN(CCC[C@H]3CCCC[NH2+]3)CC2)nc1 ZINC000050952375 526481277 /nfs/dbraw/zinc/48/12/77/526481277.db2.gz IGWUNPKXAYJTJA-MRXNPFEDSA-N 1 3 288.439 2.126 10 0 CEAEHO NCC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000055017723 527193466 /nfs/dbraw/zinc/19/34/66/527193466.db2.gz AMSZNBBBNSZFND-HZPDHXFCSA-N 1 3 262.397 2.313 10 0 CEAEHO NCC[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1CCCO ZINC000055017723 527193469 /nfs/dbraw/zinc/19/34/69/527193469.db2.gz AMSZNBBBNSZFND-HZPDHXFCSA-N 1 3 262.397 2.313 10 0 CEAEHO Cc1nc2sccn2c1C[NH2+][C@H](C)CCN(C)C ZINC000049554054 527212183 /nfs/dbraw/zinc/21/21/83/527212183.db2.gz VFRFXTPPJBSJBL-SNVBAGLBSA-N 1 3 266.414 2.134 10 0 CEAEHO [NH3+]C[C@H]1CC[C@H](CN(Cc2ccsc2)C2CC2)O1 ZINC000052542057 527240378 /nfs/dbraw/zinc/24/03/78/527240378.db2.gz WGNCLXZGZHEWGX-ZIAGYGMSSA-N 1 3 266.410 2.219 10 0 CEAEHO c1ccc(CN2CCCN([C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000306500165 344713905 /nfs/dbraw/zinc/71/39/05/344713905.db2.gz MSLPODGGGOHCRJ-SFHVURJKSA-N 1 3 287.451 2.336 10 0 CEAEHO Cc1nccn1CC[N@@H+]1C[C@H](C2CC2)NC[C@@H]1C(C)(C)C ZINC000085526796 179089526 /nfs/dbraw/zinc/08/95/26/179089526.db2.gz KRXLDZSMZJXMAT-HZPDHXFCSA-N 1 3 290.455 2.290 10 0 CEAEHO Cc1nccn1CC[N@H+]1C[C@H](C2CC2)NC[C@@H]1C(C)(C)C ZINC000085526796 179089529 /nfs/dbraw/zinc/08/95/29/179089529.db2.gz KRXLDZSMZJXMAT-HZPDHXFCSA-N 1 3 290.455 2.290 10 0 CEAEHO FC(F)(F)COCCC[N@@H+]1CCCN[C@H](C2CC2)C1 ZINC000085616403 179104215 /nfs/dbraw/zinc/10/42/15/179104215.db2.gz OLNUUFZNRWKUGB-LBPRGKRZSA-N 1 3 280.334 2.029 10 0 CEAEHO FC(F)(F)COCCC[N@H+]1CCCN[C@H](C2CC2)C1 ZINC000085616403 179104218 /nfs/dbraw/zinc/10/42/18/179104218.db2.gz OLNUUFZNRWKUGB-LBPRGKRZSA-N 1 3 280.334 2.029 10 0 CEAEHO CCOCC[N@@H+]1C[C@@H](Cc2ccccc2)NCC[C@@H]1C ZINC000085618736 179104678 /nfs/dbraw/zinc/10/46/78/179104678.db2.gz RVFBVJTZRNWEIK-DOTOQJQBSA-N 1 3 276.424 2.318 10 0 CEAEHO CCOCC[N@H+]1C[C@@H](Cc2ccccc2)NCC[C@@H]1C ZINC000085618736 179104680 /nfs/dbraw/zinc/10/46/80/179104680.db2.gz RVFBVJTZRNWEIK-DOTOQJQBSA-N 1 3 276.424 2.318 10 0 CEAEHO C[C@H]1CCNC2(CCCC2)C[N@@H+]1CC1CCOCC1 ZINC000085623373 179105789 /nfs/dbraw/zinc/10/57/89/179105789.db2.gz AJCGCDHXQRDROB-AWEZNQCLSA-N 1 3 266.429 2.410 10 0 CEAEHO C[C@H]1CCNC2(CCCC2)C[N@H+]1CC1CCOCC1 ZINC000085623373 179105790 /nfs/dbraw/zinc/10/57/90/179105790.db2.gz AJCGCDHXQRDROB-AWEZNQCLSA-N 1 3 266.429 2.410 10 0 CEAEHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000085636423 179109435 /nfs/dbraw/zinc/10/94/35/179109435.db2.gz RQVHFSGPDBXBLP-XQLPTFJDSA-N 1 3 266.429 2.120 10 0 CEAEHO c1ccc([C@@H]2CN([C@@H]3CC[N@@H+]4CCCC[C@H]34)CCN2)cc1 ZINC000086144866 179237242 /nfs/dbraw/zinc/23/72/42/179237242.db2.gz LETWXVWNVRSINF-RCCFBDPRSA-N 1 3 285.435 2.260 10 0 CEAEHO c1ccc([C@@H]2CN([C@@H]3CC[N@H+]4CCCC[C@H]34)CCN2)cc1 ZINC000086144866 179237245 /nfs/dbraw/zinc/23/72/45/179237245.db2.gz LETWXVWNVRSINF-RCCFBDPRSA-N 1 3 285.435 2.260 10 0 CEAEHO C[C@@H](CC[NH+](C)C)N1CCN[C@@](C)(c2ccccc2)C1 ZINC000086144717 179237508 /nfs/dbraw/zinc/23/75/08/179237508.db2.gz FMVWOWPXUGIGFD-DOTOQJQBSA-N 1 3 275.440 2.147 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@H+](C[C@@H]2CCN(C)C2)[C@@H](CC)CN1 ZINC000086171856 179243906 /nfs/dbraw/zinc/24/39/06/179243906.db2.gz LWLOSSPDDDOWHS-FZKCQIBNSA-N 1 3 267.461 2.037 10 0 CEAEHO CC[C@H](C)[C@@H]1C[N@@H+](C[C@@H]2CCN(C)C2)[C@@H](CC)CN1 ZINC000086171856 179243907 /nfs/dbraw/zinc/24/39/07/179243907.db2.gz LWLOSSPDDDOWHS-FZKCQIBNSA-N 1 3 267.461 2.037 10 0 CEAEHO C[C@H]1C[N@H+](C[C@@H]2CCCN(C)C2)[C@H](c2ccccc2)CN1 ZINC000086173706 179244046 /nfs/dbraw/zinc/24/40/46/179244046.db2.gz NXUBSUUUIUUCRC-JZXOWHBKSA-N 1 3 287.451 2.363 10 0 CEAEHO C[C@H]1C[N@@H+](C[C@@H]2CCCN(C)C2)[C@H](c2ccccc2)CN1 ZINC000086173706 179244049 /nfs/dbraw/zinc/24/40/49/179244049.db2.gz NXUBSUUUIUUCRC-JZXOWHBKSA-N 1 3 287.451 2.363 10 0 CEAEHO CC[C@@H]1CN[C@@H](CC(C)C)C[N@@H+]1C1CCN(C)CC1 ZINC000086217873 179249656 /nfs/dbraw/zinc/24/96/56/179249656.db2.gz CQURXLGUNUHIAV-LSDHHAIUSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1CN[C@@H](CC(C)C)C[N@H+]1C1CCN(C)CC1 ZINC000086217873 179249658 /nfs/dbraw/zinc/24/96/58/179249658.db2.gz CQURXLGUNUHIAV-LSDHHAIUSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1C1CCN(C)CC1 ZINC000086217808 179249765 /nfs/dbraw/zinc/24/97/65/179249765.db2.gz FIRBVJXROBTDMH-ZFWWWQNUSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@H]1CN[C@H](C(C)(C)C)C[N@H+]1C1CCN(C)CC1 ZINC000086217808 179249767 /nfs/dbraw/zinc/24/97/67/179249767.db2.gz FIRBVJXROBTDMH-ZFWWWQNUSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1CN[C@H](CC(C)C)C[N@@H+]1C1CCN(C)CC1 ZINC000086217871 179249972 /nfs/dbraw/zinc/24/99/72/179249972.db2.gz CQURXLGUNUHIAV-HUUCEWRRSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1CN[C@H](CC(C)C)C[N@H+]1C1CCN(C)CC1 ZINC000086217871 179249974 /nfs/dbraw/zinc/24/99/74/179249974.db2.gz CQURXLGUNUHIAV-HUUCEWRRSA-N 1 3 267.461 2.179 10 0 CEAEHO CC[C@@H]1CNC2(CCCCC2)C[N@@H+]1C[C@@H]1CCN(C)C1 ZINC000086223132 179251622 /nfs/dbraw/zinc/25/16/22/179251622.db2.gz XCNUTIAMARTXCB-HZPDHXFCSA-N 1 3 279.472 2.325 10 0 CEAEHO CC[C@@H]1CNC2(CCCCC2)C[N@H+]1C[C@@H]1CCN(C)C1 ZINC000086223132 179251625 /nfs/dbraw/zinc/25/16/25/179251625.db2.gz XCNUTIAMARTXCB-HZPDHXFCSA-N 1 3 279.472 2.325 10 0 CEAEHO C[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1[C@@H]1CCCN(C)C1 ZINC000086223956 179253115 /nfs/dbraw/zinc/25/31/15/179253115.db2.gz HMRFOEJLMKOTKM-OIISXLGYSA-N 1 3 279.472 2.323 10 0 CEAEHO CCN1CCC[C@@H](N2CC(CC)(CC)[NH2+]C[C@@H]2C)C1 ZINC000086225415 179253441 /nfs/dbraw/zinc/25/34/41/179253441.db2.gz CUYIGSAVAAVZTD-LSDHHAIUSA-N 1 3 267.461 2.323 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCCN1C ZINC000086259299 179258737 /nfs/dbraw/zinc/25/87/37/179258737.db2.gz CZUCADLXLOOXHZ-IXDOHACOSA-N 1 3 279.472 2.323 10 0 CEAEHO CC[C@@H]1CN[C@@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCCN1C ZINC000086259299 179258738 /nfs/dbraw/zinc/25/87/38/179258738.db2.gz CZUCADLXLOOXHZ-IXDOHACOSA-N 1 3 279.472 2.323 10 0 CEAEHO CC(C)[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1CC1CCN(C)CC1 ZINC000086258990 179256885 /nfs/dbraw/zinc/25/68/85/179256885.db2.gz KIDSLTRTDYUILB-ROUUACIJSA-N 1 3 293.499 2.427 10 0 CEAEHO CC(C)[C@@H]1CN[C@](C)(C2CC2)C[N@H+]1CC1CCN(C)CC1 ZINC000086258990 179256887 /nfs/dbraw/zinc/25/68/87/179256887.db2.gz KIDSLTRTDYUILB-ROUUACIJSA-N 1 3 293.499 2.427 10 0 CEAEHO C[C@@H](CCN(C)C)[N@@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000086290502 179265693 /nfs/dbraw/zinc/26/56/93/179265693.db2.gz WJZFQPZUKIWDJP-RDJZCZTQSA-N 1 3 275.440 2.363 10 0 CEAEHO C[C@@H](CCN(C)C)[N@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000086290502 179265696 /nfs/dbraw/zinc/26/56/96/179265696.db2.gz WJZFQPZUKIWDJP-RDJZCZTQSA-N 1 3 275.440 2.363 10 0 CEAEHO C1CC1N1CC[C@H](N2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086291910 179266445 /nfs/dbraw/zinc/26/64/45/179266445.db2.gz SSUKSICNPNMOFP-INIZCTEOSA-N 1 3 277.456 2.221 10 0 CEAEHO N[C@@H]1CCCc2sc(N3CCC[N@@H+]4CCC[C@@H]4C3)nc21 ZINC000086444055 179294254 /nfs/dbraw/zinc/29/42/54/179294254.db2.gz HKBAMVWPTIPBGL-VXGBXAGGSA-N 1 3 292.452 2.154 10 0 CEAEHO N[C@@H]1CCCc2sc(N3CCC[N@H+]4CCC[C@@H]4C3)nc21 ZINC000086444055 179294257 /nfs/dbraw/zinc/29/42/57/179294257.db2.gz HKBAMVWPTIPBGL-VXGBXAGGSA-N 1 3 292.452 2.154 10 0 CEAEHO C[C@H](CN1CCCCC1)NC1=[NH+]C[C@@H](C)CS1 ZINC000086632834 179315165 /nfs/dbraw/zinc/31/51/65/179315165.db2.gz GAGFGXSZUBVBMV-VXGBXAGGSA-N 1 3 255.431 2.189 10 0 CEAEHO CN1CCC[C@@](CN)([N@H+](C)C2CCCCCC2)CC1 ZINC000086819326 179348807 /nfs/dbraw/zinc/34/88/07/179348807.db2.gz YNMVGXYRNAXJRH-MRXNPFEDSA-N 1 3 267.461 2.454 10 0 CEAEHO CN1CCC[C@@](CN)([N@@H+](C)C2CCCCCC2)CC1 ZINC000086819326 179348809 /nfs/dbraw/zinc/34/88/09/179348809.db2.gz YNMVGXYRNAXJRH-MRXNPFEDSA-N 1 3 267.461 2.454 10 0 CEAEHO CCN1CCC[C@@H]([NH2+][C@@H](CC(C)C)CN(C)C)CC1 ZINC000086840627 179353379 /nfs/dbraw/zinc/35/33/79/179353379.db2.gz OVBZJASENFLZCV-CVEARBPZSA-N 1 3 269.477 2.427 10 0 CEAEHO C1C[NH2+][C@H]([C@H]2CCCN([C@@H]3CCCOCC3)C2)C1 ZINC000086876807 179365247 /nfs/dbraw/zinc/36/52/47/179365247.db2.gz RZEWNOUJWJJPTC-ZNMIVQPWSA-N 1 3 252.402 2.020 10 0 CEAEHO CC(C)[NH2+]C[C@@H]1CCCN([C@@H]2CCCOCC2)C1 ZINC000086876849 179365692 /nfs/dbraw/zinc/36/56/92/179365692.db2.gz RYOGFEDRUGMTFH-LSDHHAIUSA-N 1 3 254.418 2.266 10 0 CEAEHO CC[C@H]1CCC[C@@](C[NH3+])(N(C)CCN(C)C)CC1 ZINC000086913662 179367101 /nfs/dbraw/zinc/36/71/01/179367101.db2.gz DUNMDIWITASUQK-LSDHHAIUSA-N 1 3 255.450 2.168 10 0 CEAEHO CC[C@H]1CCC[C@@](CN)([N@H+](C)CCN(C)C)CC1 ZINC000086913662 179367102 /nfs/dbraw/zinc/36/71/02/179367102.db2.gz DUNMDIWITASUQK-LSDHHAIUSA-N 1 3 255.450 2.168 10 0 CEAEHO CC[C@H]1CCC[C@@](CN)([N@@H+](C)CCN(C)C)CC1 ZINC000086913662 179367104 /nfs/dbraw/zinc/36/71/04/179367104.db2.gz DUNMDIWITASUQK-LSDHHAIUSA-N 1 3 255.450 2.168 10 0 CEAEHO CCN1CCC[C@@H]([C@@H](C)[NH2+]CC(O)(CC)CC)C1 ZINC000087014770 179379899 /nfs/dbraw/zinc/37/98/99/179379899.db2.gz KFPQUVUFJWWLDM-ZIAGYGMSSA-N 1 3 256.434 2.248 10 0 CEAEHO C[C@@H]1CCC[C@](O)(CNCC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000087064912 179390348 /nfs/dbraw/zinc/39/03/48/179390348.db2.gz MSXWBOSDLYYTNO-OWCLPIDISA-N 1 3 268.445 2.392 10 0 CEAEHO C[C@@H]1CCC[C@](O)(CNCC[C@@H]2CCCC[N@H+]2C)C1 ZINC000087064912 179390351 /nfs/dbraw/zinc/39/03/51/179390351.db2.gz MSXWBOSDLYYTNO-OWCLPIDISA-N 1 3 268.445 2.392 10 0 CEAEHO C[C@H](N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400511187 233179608 /nfs/dbraw/zinc/17/96/08/233179608.db2.gz FNOAMRUZERRZRU-FZCLSBEQSA-N 1 3 287.451 2.095 10 0 CEAEHO C[C@H](N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400355395 233176242 /nfs/dbraw/zinc/17/62/42/233176242.db2.gz OGJSLGPHCNVXEP-CWLKWCNXSA-N 1 3 287.451 2.237 10 0 CEAEHO C[C@@H](NCCc1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000400337939 233176416 /nfs/dbraw/zinc/17/64/16/233176416.db2.gz FUNRAODCRWODHV-YPMHNXCESA-N 1 3 252.789 2.470 10 0 CEAEHO C[C@H](COCc1ccccc1)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400445060 233177423 /nfs/dbraw/zinc/17/74/23/233177423.db2.gz NLQPORCVRUGIAN-FMKPAKJESA-N 1 3 262.397 2.179 10 0 CEAEHO O=C(CN1CCC[C@@H]1C1CC[NH2+]CC1)Nc1ccccc1 ZINC000090694622 180026295 /nfs/dbraw/zinc/02/62/95/180026295.db2.gz HYNVHQWSKYPJJC-MRXNPFEDSA-N 1 3 287.407 2.089 10 0 CEAEHO [NH3+]C1C[C@H]2CC[C@@H](C1)N2CCOC1CCCCC1 ZINC000104447816 186006229 /nfs/dbraw/zinc/00/62/29/186006229.db2.gz DTYRKDJYEOFHBO-AGUYFDCRSA-N 1 3 252.402 2.290 10 0 CEAEHO CC1(CNCc2csc(CC[NH3+])n2)CCCC1 ZINC000090958689 180074653 /nfs/dbraw/zinc/07/46/53/180074653.db2.gz DFNZGUBCOPZBAA-UHFFFAOYSA-N 1 3 253.415 2.314 10 0 CEAEHO CCC[C@@H]1CCC[N@H+](CC[C@@H]2CNCCO2)CC1 ZINC000091314285 180133776 /nfs/dbraw/zinc/13/37/76/180133776.db2.gz MBYIKUUFUINTOI-HUUCEWRRSA-N 1 3 254.418 2.267 10 0 CEAEHO CCC[C@@H]1CCC[N@@H+](CC[C@@H]2CNCCO2)CC1 ZINC000091314285 180133777 /nfs/dbraw/zinc/13/37/77/180133777.db2.gz MBYIKUUFUINTOI-HUUCEWRRSA-N 1 3 254.418 2.267 10 0 CEAEHO CCCN1CCN(C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000091362112 180141816 /nfs/dbraw/zinc/14/18/16/180141816.db2.gz FYFCHZSCLDYPHA-ULQDDVLXSA-N 1 3 279.472 2.325 10 0 CEAEHO COc1cccc(C[N@H+](C)CC[C@H]2CSCCN2)c1 ZINC000091292076 180123691 /nfs/dbraw/zinc/12/36/91/180123691.db2.gz FRMDVKLROCXSAL-AWEZNQCLSA-N 1 3 280.437 2.222 10 0 CEAEHO COc1cccc(C[N@@H+](C)CC[C@H]2CSCCN2)c1 ZINC000091292076 180123692 /nfs/dbraw/zinc/12/36/92/180123692.db2.gz FRMDVKLROCXSAL-AWEZNQCLSA-N 1 3 280.437 2.222 10 0 CEAEHO CCCc1nc(N2CCC[C@H]([NH+](C)C)C2)sc1CN ZINC000091428551 180152892 /nfs/dbraw/zinc/15/28/92/180152892.db2.gz RVWGQDAKNACXLZ-NSHDSACASA-N 1 3 282.457 2.085 10 0 CEAEHO CCc1ccc([C@H](N)CN2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091393933 180145768 /nfs/dbraw/zinc/14/57/68/180145768.db2.gz MXASCUYCAFSSBH-DLBZAZTESA-N 1 3 275.440 2.275 10 0 CEAEHO CCC[NH2+][C@@H](C)C(C)(C)CN(C)[C@@H]1CCCN(C)C1 ZINC000091404609 180147237 /nfs/dbraw/zinc/14/72/37/180147237.db2.gz KRRZZQQVMCAAHJ-LSDHHAIUSA-N 1 3 269.477 2.427 10 0 CEAEHO CCC(CC)([C@@H](Cc1ccnc(N)c1)[NH2+]C)N1CCCC1 ZINC000091635076 180210990 /nfs/dbraw/zinc/21/09/90/180210990.db2.gz FBFIEMZLLWOIPS-OAHLLOKOSA-N 1 3 290.455 2.449 10 0 CEAEHO CCC(CC)([C@@H](Cc1ccnc(N)c1)NC)[NH+]1CCCC1 ZINC000091635076 180210992 /nfs/dbraw/zinc/21/09/92/180210992.db2.gz FBFIEMZLLWOIPS-OAHLLOKOSA-N 1 3 290.455 2.449 10 0 CEAEHO CCN(CC)Cc1ccccc1NC(=O)[C@H](C)C[NH2+]C ZINC000092133734 180330929 /nfs/dbraw/zinc/33/09/29/180330929.db2.gz XNYHVWLJKHIKJP-CYBMUJFWSA-N 1 3 277.412 2.322 10 0 CEAEHO C[C@H]1CN(C[C@]2(C[NH2+]C(C)(C)C)CCOC2)C[C@H]1C ZINC000092088342 180321311 /nfs/dbraw/zinc/32/13/11/180321311.db2.gz ZHJUYHWGWMDYSS-IJEWVQPXSA-N 1 3 268.445 2.369 10 0 CEAEHO C[C@H]1C[N@H+](C[C@]2(CNC(C)(C)C)CCOC2)C[C@H]1C ZINC000092088342 180321313 /nfs/dbraw/zinc/32/13/13/180321313.db2.gz ZHJUYHWGWMDYSS-IJEWVQPXSA-N 1 3 268.445 2.369 10 0 CEAEHO C[C@H]1C[N@@H+](C[C@]2(CNC(C)(C)C)CCOC2)C[C@H]1C ZINC000092088342 180321316 /nfs/dbraw/zinc/32/13/16/180321316.db2.gz ZHJUYHWGWMDYSS-IJEWVQPXSA-N 1 3 268.445 2.369 10 0 CEAEHO CCCN[C@](C)(CO)C[C@@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092090266 180322604 /nfs/dbraw/zinc/32/26/04/180322604.db2.gz UBGRKYFYKITKBL-BARDWOONSA-N 1 3 256.434 2.103 10 0 CEAEHO CCCN[C@](C)(CO)C[C@@H](C)[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092090266 180322605 /nfs/dbraw/zinc/32/26/05/180322605.db2.gz UBGRKYFYKITKBL-BARDWOONSA-N 1 3 256.434 2.103 10 0 CEAEHO C[NH2+]C[C@H]1CCN(C[C@@H]2Cc3ccccc3S2)C1 ZINC000092267758 180355704 /nfs/dbraw/zinc/35/57/04/180355704.db2.gz AMSMMZGRYKQSSI-OCCSQVGLSA-N 1 3 262.422 2.245 10 0 CEAEHO C[C@@H]1CC[C@H](CN)C[N@@H+]1C[C@@H]1COc2ccccc21 ZINC000092302581 180359169 /nfs/dbraw/zinc/35/91/69/180359169.db2.gz XTYRNXDYCSAFDK-MGPQQGTHSA-N 1 3 260.381 2.222 10 0 CEAEHO C[C@@H]1CC[C@H](CN)C[N@H+]1C[C@@H]1COc2ccccc21 ZINC000092302581 180359172 /nfs/dbraw/zinc/35/91/72/180359172.db2.gz XTYRNXDYCSAFDK-MGPQQGTHSA-N 1 3 260.381 2.222 10 0 CEAEHO CCOC(=O)C1CCN([C@H]2C[C@H](C)CC[C@@H]2C[NH3+])CC1 ZINC000109603648 186266306 /nfs/dbraw/zinc/26/63/06/186266306.db2.gz IDBJRDZZUWWQAJ-YUELXQCFSA-N 1 3 282.428 2.025 10 0 CEAEHO CCOC(=O)C1CC[NH+]([C@H]2C[C@H](C)CC[C@@H]2CN)CC1 ZINC000109603648 186266307 /nfs/dbraw/zinc/26/63/07/186266307.db2.gz IDBJRDZZUWWQAJ-YUELXQCFSA-N 1 3 282.428 2.025 10 0 CEAEHO COC(=O)CC[N@H+](C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CN ZINC000109685363 186269248 /nfs/dbraw/zinc/26/92/48/186269248.db2.gz CVFYAUJBUCQPFN-HZSPNIEDSA-N 1 3 284.444 2.271 10 0 CEAEHO COC(=O)CC[N@@H+](C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CN ZINC000109685363 186269250 /nfs/dbraw/zinc/26/92/50/186269250.db2.gz CVFYAUJBUCQPFN-HZSPNIEDSA-N 1 3 284.444 2.271 10 0 CEAEHO COC(=O)CCN(C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000109685363 186269252 /nfs/dbraw/zinc/26/92/52/186269252.db2.gz CVFYAUJBUCQPFN-HZSPNIEDSA-N 1 3 284.444 2.271 10 0 CEAEHO Cc1nnc(SC(CC(N)=[NH2+])c2ccccc2)n1C ZINC000110355818 186293683 /nfs/dbraw/zinc/29/36/83/186293683.db2.gz WYSIMELDISGSJY-LLVKDONJSA-N 1 3 275.381 2.283 10 0 CEAEHO [NH2+]=C(NC1CCCCC1)N1CC[C@@H](N2CCCC2)C1 ZINC000110368911 186294733 /nfs/dbraw/zinc/29/47/33/186294733.db2.gz YUWHQSAEYPVSID-CQSZACIVSA-N 1 3 264.417 2.014 10 0 CEAEHO CC(C)N1CCC(CN)([N@H+](C)CC2CCCC2)CC1 ZINC000110834354 186328681 /nfs/dbraw/zinc/32/86/81/186328681.db2.gz YHYWSLUPJXUBCE-UHFFFAOYSA-N 1 3 267.461 2.310 10 0 CEAEHO CC(C)N1CCC(CN)([N@@H+](C)CC2CCCC2)CC1 ZINC000110834354 186328683 /nfs/dbraw/zinc/32/86/83/186328683.db2.gz YHYWSLUPJXUBCE-UHFFFAOYSA-N 1 3 267.461 2.310 10 0 CEAEHO C[C@H]([NH3+])[C@H](c1ccccc1)N1CCN(C)C(C)(C)C1 ZINC000110704885 186313845 /nfs/dbraw/zinc/31/38/45/186313845.db2.gz HEQGVQNTZNOXFU-DZGCQCFKSA-N 1 3 261.413 2.101 10 0 CEAEHO CC[C@@H]1CN([C@@H](C[NH3+])c2cccc(C)c2C)CCN1C ZINC000110710350 186315248 /nfs/dbraw/zinc/31/52/48/186315248.db2.gz XHMAAWSTGSBXQB-WBVHZDCISA-N 1 3 275.440 2.329 10 0 CEAEHO C[NH2+][C@H](c1ccccc1)[C@H](C)N1CCN(C)C(C)(C)C1 ZINC000110717138 186315878 /nfs/dbraw/zinc/31/58/78/186315878.db2.gz IMFONBICKLPSAG-HOCLYGCPSA-N 1 3 275.440 2.362 10 0 CEAEHO CCCCC[NH2+]C[C@@H](C)N1CCN(C)C(C)(C)C1 ZINC000110757942 186320355 /nfs/dbraw/zinc/32/03/55/186320355.db2.gz FZJBOIYNFNXNPH-CQSZACIVSA-N 1 3 255.450 2.181 10 0 CEAEHO CN(CCC[NH+](C)C)Cc1csc(CNC(C)(C)C)n1 ZINC000111150394 186360872 /nfs/dbraw/zinc/36/08/72/186360872.db2.gz MPSRQBYZJGKYEI-UHFFFAOYSA-N 1 3 298.500 2.415 10 0 CEAEHO CN(CCC[NH+](C)C)c1c(CN)cnc2ccccc21 ZINC000111129274 186356047 /nfs/dbraw/zinc/35/60/47/186356047.db2.gz OMMPJOPBPAVSTI-UHFFFAOYSA-N 1 3 272.396 2.081 10 0 CEAEHO CN(C)CCN(C)[C@@H](C[NH3+])c1cccc2ccccc21 ZINC000111132867 186356359 /nfs/dbraw/zinc/35/63/59/186356359.db2.gz NVYFIRMJMIQOMH-KRWDZBQOSA-N 1 3 271.408 2.333 10 0 CEAEHO CN[C@H](CN(C)CC[NH+](C)C)c1cc2ccccc2o1 ZINC000111135269 186356910 /nfs/dbraw/zinc/35/69/10/186356910.db2.gz UOKMGGNULRKTCN-CQSZACIVSA-N 1 3 275.396 2.187 10 0 CEAEHO CN(CCC[NH+](C)C)[C@H]1CCCc2ccccc2[C@@H]1N ZINC000111136010 186358072 /nfs/dbraw/zinc/35/80/72/186358072.db2.gz GVDDXKUYXLBXCZ-IRXDYDNUSA-N 1 3 275.440 2.275 10 0 CEAEHO CC(C)C[NH2+]C[C@H](C)CN(C)C[C@@H]1CCCOC1 ZINC000111175114 186364967 /nfs/dbraw/zinc/36/49/67/186364967.db2.gz FFYVCFINDDJRBM-GJZGRUSLSA-N 1 3 256.434 2.227 10 0 CEAEHO CNCC1(C[N@H+](C)CC2CCOCC2)CCCC1 ZINC000111172933 186364991 /nfs/dbraw/zinc/36/49/91/186364991.db2.gz ZFCLJNZZQQTFRU-UHFFFAOYSA-N 1 3 254.418 2.125 10 0 CEAEHO CNCC1(C[N@@H+](C)CC2CCOCC2)CCCC1 ZINC000111172933 186364992 /nfs/dbraw/zinc/36/49/92/186364992.db2.gz ZFCLJNZZQQTFRU-UHFFFAOYSA-N 1 3 254.418 2.125 10 0 CEAEHO CC(C)[NH2+]CC1(CN(C)CC2CCOCC2)CCOCC1 ZINC000111172929 186365128 /nfs/dbraw/zinc/36/51/28/186365128.db2.gz ZOYKYPASGURROD-UHFFFAOYSA-N 1 3 298.471 2.140 10 0 CEAEHO CC(C)NCC1(C[N@H+](C)CC2CCOCC2)CCOCC1 ZINC000111172929 186365130 /nfs/dbraw/zinc/36/51/30/186365130.db2.gz ZOYKYPASGURROD-UHFFFAOYSA-N 1 3 298.471 2.140 10 0 CEAEHO CC(C)NCC1(C[N@@H+](C)CC2CCOCC2)CCOCC1 ZINC000111172929 186365131 /nfs/dbraw/zinc/36/51/31/186365131.db2.gz ZOYKYPASGURROD-UHFFFAOYSA-N 1 3 298.471 2.140 10 0 CEAEHO CNC[C@@]1(C[N@H+](CC(C)C)C(C)C)CCCOC1 ZINC000111328235 186399760 /nfs/dbraw/zinc/39/97/60/186399760.db2.gz OGCUBXOJZZUTIU-OAHLLOKOSA-N 1 3 256.434 2.369 10 0 CEAEHO CNC[C@@]1(C[N@@H+](CC(C)C)C(C)C)CCCOC1 ZINC000111328235 186399762 /nfs/dbraw/zinc/39/97/62/186399762.db2.gz OGCUBXOJZZUTIU-OAHLLOKOSA-N 1 3 256.434 2.369 10 0 CEAEHO C[C@@H]([NH2+]CCCN(C)c1ccccc1)[C@H]1CCCNC1 ZINC000570077244 299236532 /nfs/dbraw/zinc/23/65/32/299236532.db2.gz RLBPNHWTMNVZOC-CVEARBPZSA-N 1 3 275.440 2.491 10 0 CEAEHO N[C@@H](CCC[NH3+])c1c(F)cc(Br)cc1F ZINC000575439239 366287874 /nfs/dbraw/zinc/28/78/74/366287874.db2.gz RIGVUBKAASOCSA-VIFPVBQESA-N 1 3 279.128 2.466 10 0 CEAEHO CCC[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)N(C)C ZINC000162312631 367151432 /nfs/dbraw/zinc/15/14/32/367151432.db2.gz BSBJZSGRWDWATN-HOTGVXAUSA-N 1 3 295.471 2.051 10 0 CEAEHO C[C@H]1CN2CCCC[C@@H]2CN1C1(C[NH3+])CCCCC1 ZINC000094445735 184801992 /nfs/dbraw/zinc/80/19/92/184801992.db2.gz PBZSBMMHIHALFD-LSDHHAIUSA-N 1 3 265.445 2.207 10 0 CEAEHO CC(C)Oc1ncccc1CNC1CCC([NH3+])CC1 ZINC000094088224 184754324 /nfs/dbraw/zinc/75/43/24/184754324.db2.gz KZLFGLKTHGOHSX-UHFFFAOYSA-N 1 3 263.385 2.228 10 0 CEAEHO CC[NH2+]Cc1ccccc1N1CCN2CCCC[C@@H]2C1 ZINC000094439956 135087695 /nfs/dbraw/zinc/08/76/95/135087695.db2.gz KKFOKZUDTHWCLW-MRXNPFEDSA-N 1 3 273.424 2.471 10 0 CEAEHO NC(=[NH2+])c1ccc(N2CCN3CCCC[C@@H]3C2)cc1Cl ZINC000094439615 135087914 /nfs/dbraw/zinc/08/79/14/135087914.db2.gz GVXNLGLOKGTZOA-GFCCVEGCSA-N 1 3 292.814 2.299 10 0 CEAEHO [NH3+][C@@H]1CC[C@H]2CN(c3ccnc4ccccc43)C[C@@H]12 ZINC000261629281 394604793 /nfs/dbraw/zinc/60/47/93/394604793.db2.gz VRYBZPCZSAEOJO-IACUBPJLSA-N 1 3 253.349 2.408 10 0 CEAEHO C[C@H](NCCOCC1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000574069934 395625938 /nfs/dbraw/zinc/62/59/38/395625938.db2.gz DQJRKSAIJYVTKS-DZGCQCFKSA-N 1 3 254.418 2.171 10 0 CEAEHO C[C@H]([NH2+]CCOCC1CCCC1)[C@@H]1CCCNC1 ZINC000574069934 395625940 /nfs/dbraw/zinc/62/59/40/395625940.db2.gz DQJRKSAIJYVTKS-DZGCQCFKSA-N 1 3 254.418 2.171 10 0 CEAEHO C[C@H]([NH2+]CCc1cccc(F)c1)[C@@H]1CCCNC1 ZINC000575372939 395661273 /nfs/dbraw/zinc/66/12/73/395661273.db2.gz JSZSJVZGSFKTNQ-GXTWGEPZSA-N 1 3 250.361 2.346 10 0 CEAEHO C[C@H](NCCc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000575372939 395661275 /nfs/dbraw/zinc/66/12/75/395661275.db2.gz JSZSJVZGSFKTNQ-GXTWGEPZSA-N 1 3 250.361 2.346 10 0 CEAEHO CC[NH+](CC)C1(CN)CCN(Cc2ccccc2)CC1 ZINC000019509630 170820034 /nfs/dbraw/zinc/82/00/34/170820034.db2.gz SIFMIYSIIVDTOG-UHFFFAOYSA-N 1 3 275.440 2.322 10 0 CEAEHO Cc1cccc(OC[C@@H](CC[NH3+])N2CCCC2)c1C ZINC000020402079 171182244 /nfs/dbraw/zinc/18/22/44/171182244.db2.gz IFDOFUYIZYQGDW-OAHLLOKOSA-N 1 3 262.397 2.495 10 0 CEAEHO CNCc1nc2cc(Cl)ccc2n1CCC[NH+](C)C ZINC000040404363 174253694 /nfs/dbraw/zinc/25/36/94/174253694.db2.gz JLHMMLFVRGIWQG-UHFFFAOYSA-N 1 3 280.803 2.361 10 0 CEAEHO Cc1ccc(OCCN2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040750135 174395043 /nfs/dbraw/zinc/39/50/43/174395043.db2.gz LUYPFXVIKDONDO-GOOCMWNKSA-N 1 3 260.381 2.328 10 0 CEAEHO Cc1cccc([C@@H](CN)[N@@H+](C)C2CCN(C)CC2)c1C ZINC000043314441 175004002 /nfs/dbraw/zinc/00/40/02/175004002.db2.gz WCWMFOCYJQDDPG-QGZVFWFLSA-N 1 3 275.440 2.329 10 0 CEAEHO Cc1cccc([C@@H](CN)[N@H+](C)C2CCN(C)CC2)c1C ZINC000043314441 175004004 /nfs/dbraw/zinc/00/40/04/175004004.db2.gz WCWMFOCYJQDDPG-QGZVFWFLSA-N 1 3 275.440 2.329 10 0 CEAEHO CC[C@H]([NH3+])[C@H](c1cccnc1)N(CCN(C)C)CC(C)C ZINC000043348617 175018771 /nfs/dbraw/zinc/01/87/71/175018771.db2.gz JKIAMMUQVODGAQ-IRXDYDNUSA-N 1 3 292.471 2.380 10 0 CEAEHO CCC[C@H]([NH2+]C)[C@@H](CC)N(C)C1CCN(C)CC1 ZINC000043815235 175111896 /nfs/dbraw/zinc/11/18/96/175111896.db2.gz SQHAXTGRBKDHMJ-LSDHHAIUSA-N 1 3 255.450 2.179 10 0 CEAEHO C[NH2+][C@H]1CCCCCC[C@H]1N(C)C1CCN(C)CC1 ZINC000043815200 175111921 /nfs/dbraw/zinc/11/19/21/175111921.db2.gz SCWLORNUSLFJRL-JKSUJKDBSA-N 1 3 267.461 2.323 10 0 CEAEHO CCC[NH2+][C@H]1CCN(C[C@@H]2CCCOC2)C[C@@H]1C ZINC000044982050 175283525 /nfs/dbraw/zinc/28/35/25/175283525.db2.gz YKLSMQGZZOLZTI-KKUMJFAQSA-N 1 3 254.418 2.123 10 0 CEAEHO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCN(C)C2)c1C ZINC000045171420 175320937 /nfs/dbraw/zinc/32/09/37/175320937.db2.gz HDNZNXUBUOVSEB-FZMZJTMJSA-N 1 3 264.417 2.122 10 0 CEAEHO CCOCC[N@H+](CC)C[C@H](CN)c1ccccc1 ZINC000070943297 176015840 /nfs/dbraw/zinc/01/58/40/176015840.db2.gz UMEUOVLAXZRTNX-HNNXBMFYSA-N 1 3 250.386 2.087 10 0 CEAEHO CCOCC[N@@H+](CC)C[C@H](CN)c1ccccc1 ZINC000070943297 176015842 /nfs/dbraw/zinc/01/58/42/176015842.db2.gz UMEUOVLAXZRTNX-HNNXBMFYSA-N 1 3 250.386 2.087 10 0 CEAEHO CC[C@@H]1CCCC[C@@]1(CN)[NH+]1CCN(C2CC2)CC1 ZINC000071161856 176046595 /nfs/dbraw/zinc/04/65/95/176046595.db2.gz UBYOOEPWPAMBJI-ZBFHGGJFSA-N 1 3 265.445 2.064 10 0 CEAEHO CCCNCc1occc1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191894 176072528 /nfs/dbraw/zinc/07/25/28/176072528.db2.gz BFXVOCBNAOFZET-CQSZACIVSA-N 1 3 279.428 2.163 10 0 CEAEHO CCCNCc1occc1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191894 176072529 /nfs/dbraw/zinc/07/25/29/176072529.db2.gz BFXVOCBNAOFZET-CQSZACIVSA-N 1 3 279.428 2.163 10 0 CEAEHO Cc1oc(CNC(C)C)cc1CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071192075 176073563 /nfs/dbraw/zinc/07/35/63/176073563.db2.gz RCUKHEOMODACEU-HNNXBMFYSA-N 1 3 293.455 2.470 10 0 CEAEHO Cc1oc(CNC(C)C)cc1CN(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071192075 176073564 /nfs/dbraw/zinc/07/35/64/176073564.db2.gz RCUKHEOMODACEU-HNNXBMFYSA-N 1 3 293.455 2.470 10 0 CEAEHO Cc1ncsc1C[NH2+][C@H](C)[C@@H]1CCCN(C)C1 ZINC000071212669 176084396 /nfs/dbraw/zinc/08/43/96/176084396.db2.gz FDKWPOUUMXYZEK-ZYHUDNBSSA-N 1 3 253.415 2.271 10 0 CEAEHO CC(C)[NH2+]CCCCCCN1CCN(C)[C@@H](C)C1 ZINC000071290081 176110294 /nfs/dbraw/zinc/11/02/94/176110294.db2.gz GAWUVQZWXBEQGE-HNNXBMFYSA-N 1 3 255.450 2.181 10 0 CEAEHO C[NH2+][C@H]1CCC(C)(C)C[C@H]1N1CCN(C(C)C)CC1 ZINC000079622130 177528266 /nfs/dbraw/zinc/52/82/66/177528266.db2.gz SVBPDURMVOQKRQ-LSDHHAIUSA-N 1 3 267.461 2.179 10 0 CEAEHO CCC[C@@H](CN1CCN([C@@H](C)CC)CC1)[NH2+]CC ZINC000055065007 520704182 /nfs/dbraw/zinc/70/41/82/520704182.db2.gz KAEXALFUDBNREW-GJZGRUSLSA-N 1 3 255.450 2.181 10 0 CEAEHO C[NH2+]C[C@@H]1CC[C@H](CN(Cc2cccs2)C2CC2)O1 ZINC000052370729 522059152 /nfs/dbraw/zinc/05/91/52/522059152.db2.gz PQVZXGFDDZNOSE-UONOGXRCSA-N 1 3 280.437 2.480 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](CC)C[NH2+]C(C)C)CC1 ZINC000055074608 522128100 /nfs/dbraw/zinc/12/81/00/522128100.db2.gz DJOZEROGHLKLMY-CABCVRRESA-N 1 3 255.450 2.179 10 0 CEAEHO CC[C@@H](C)[NH2+]C[C@@H](C)N1CCN([C@@H](C)CC)CC1 ZINC000055075228 522227085 /nfs/dbraw/zinc/22/70/85/522227085.db2.gz XNNOAZNTWWTDLI-QLFBSQMISA-N 1 3 255.450 2.179 10 0 CEAEHO CC(C)(C)N1CCN(CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000050953242 518711712 /nfs/dbraw/zinc/71/17/12/518711712.db2.gz QRSIBPDITVYRCX-OAHLLOKOSA-N 1 3 267.461 2.325 10 0 CEAEHO CC(C)CCC[NH2+]CCN1CCN(CC(C)C)CC1 ZINC000055076061 519641392 /nfs/dbraw/zinc/64/13/92/519641392.db2.gz GRPQNJWMUYFORY-UHFFFAOYSA-N 1 3 269.477 2.286 10 0 CEAEHO CC(C)CCC[NH2+]CCN1CCC[C@H]1CN(C)C ZINC000061655213 519641416 /nfs/dbraw/zinc/64/14/16/519641416.db2.gz QNAZWUTTZSMVKS-HNNXBMFYSA-N 1 3 255.450 2.038 10 0 CEAEHO CC(C)CC[NH2+]C[C@@H](C)N1CCC[C@@H]1CN(C)C ZINC000061655155 519663245 /nfs/dbraw/zinc/66/32/45/519663245.db2.gz GHADSRHQBAUYTE-HUUCEWRRSA-N 1 3 255.450 2.037 10 0 CEAEHO CC(C)CC[C@](C)(CN)[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061642980 519694818 /nfs/dbraw/zinc/69/48/18/519694818.db2.gz YOBRICREUGSDKU-HUUCEWRRSA-N 1 3 255.450 2.166 10 0 CEAEHO CC(C)CC[C@](C)(CN)[N@H+]1CCC[C@@H]1CN(C)C ZINC000061642980 519694820 /nfs/dbraw/zinc/69/48/20/519694820.db2.gz YOBRICREUGSDKU-HUUCEWRRSA-N 1 3 255.450 2.166 10 0 CEAEHO CC(C)NC[C@H](O)C[NH+]1CCC2(CCCCC2)CC1 ZINC000061819196 519724697 /nfs/dbraw/zinc/72/46/97/519724697.db2.gz KWOULGDAMKMXTC-HNNXBMFYSA-N 1 3 268.445 2.392 10 0 CEAEHO CC(C)CN1CCN(CCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000055083651 519725989 /nfs/dbraw/zinc/72/59/89/519725989.db2.gz JKHPJOHADMZHHQ-INIZCTEOSA-N 1 3 267.461 2.040 10 0 CEAEHO CC(C)CN1CCN([C@@H](C)CC[NH2+]C(C)C)CC1 ZINC000055083097 519727417 /nfs/dbraw/zinc/72/74/17/519727417.db2.gz VYERBQLITLNUOV-HNNXBMFYSA-N 1 3 255.450 2.037 10 0 CEAEHO CC(C)CN1CCN([C@H](C)CC[NH2+]C(C)(C)C)CC1 ZINC000055083109 519727983 /nfs/dbraw/zinc/72/79/83/519727983.db2.gz MJYISQDGFBYDII-OAHLLOKOSA-N 1 3 269.477 2.427 10 0 CEAEHO CC(C)C[NH2+]C[C@@H](OCCN1CCCC1)C(C)C ZINC000052670026 519744865 /nfs/dbraw/zinc/74/48/65/519744865.db2.gz DEYNSGDVCQTHFE-OAHLLOKOSA-N 1 3 256.434 2.369 10 0 CEAEHO CC(C)C[C@@H](CN(C)C)[NH2+]CC[C@H]1CCCCN1C ZINC000052206057 519775619 /nfs/dbraw/zinc/77/56/19/519775619.db2.gz PVXWKZBFROIWRC-JKSUJKDBSA-N 1 3 269.477 2.427 10 0 CEAEHO CCCN1CCN([C@H]2C[C@@H](C(C)C)CC[C@@H]2[NH2+]C)CC1 ZINC000054554503 519860062 /nfs/dbraw/zinc/86/00/62/519860062.db2.gz GEFBLLIYWBRGMO-ULQDDVLXSA-N 1 3 281.488 2.427 10 0 CEAEHO CCC[NH2+]CCCCCN1CCN(CCC)CC1 ZINC000052421992 519912337 /nfs/dbraw/zinc/91/23/37/519912337.db2.gz AOIRPUKCDYWQBA-UHFFFAOYSA-N 1 3 255.450 2.184 10 0 CEAEHO CCCNCc1cc(N2CCC[C@@H]2C[NH+](C)C)ccn1 ZINC000061654173 519947739 /nfs/dbraw/zinc/94/77/39/519947739.db2.gz LECQXHLXYLDKJC-MRXNPFEDSA-N 1 3 276.428 2.112 10 0 CEAEHO CCC[NH2+]Cc1sc(N2CCC[C@@H]2CN(C)C)nc1C ZINC000061655589 519974859 /nfs/dbraw/zinc/97/48/59/519974859.db2.gz VJUIOCMKEZCZNR-CYBMUJFWSA-N 1 3 296.484 2.482 10 0 CEAEHO CC[NH2+]C[C@H](c1ccccc1)N1CCN(CC2CC2)CC1 ZINC000052372536 519975433 /nfs/dbraw/zinc/97/54/33/519975433.db2.gz QNPPVVKUBPSURW-GOSISDBHSA-N 1 3 287.451 2.365 10 0 CEAEHO CC[NH2+]Cc1ccc(CN(CC)[C@H](C)COC)o1 ZINC000052504793 519994709 /nfs/dbraw/zinc/99/47/09/519994709.db2.gz RNWAOZREJWQSEP-GFCCVEGCSA-N 1 3 254.374 2.246 10 0 CEAEHO CC[NH2+]Cc1ccccc1CN(C)[C@@H](C)COC ZINC000052511943 520006663 /nfs/dbraw/zinc/00/66/63/520006663.db2.gz OHSMZZCDSYCNSJ-ZDUSSCGKSA-N 1 3 250.386 2.263 10 0 CEAEHO CCC[C@H](CN1CCN(C2CCCC2)CC1)[NH2+]CC ZINC000052061486 521099679 /nfs/dbraw/zinc/09/96/79/521099679.db2.gz YHWMEOKDQWZCEV-OAHLLOKOSA-N 1 3 267.461 2.325 10 0 CEAEHO CCCC[C@](CC)(CN)[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000069381081 521255633 /nfs/dbraw/zinc/25/56/33/521255633.db2.gz PHUNAONJWLGZEF-JKSUJKDBSA-N 1 3 267.461 2.454 10 0 CEAEHO CCCC[C@](CC)(CN)[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000069381081 521255639 /nfs/dbraw/zinc/25/56/39/521255639.db2.gz PHUNAONJWLGZEF-JKSUJKDBSA-N 1 3 267.461 2.454 10 0 CEAEHO CCC(CC)[C@@H](CN)[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC000062978614 521603324 /nfs/dbraw/zinc/60/33/24/521603324.db2.gz BGPFEBMXFVMPNT-JKSUJKDBSA-N 1 3 267.461 2.310 10 0 CEAEHO CCC(CC)[C@@H](CN)[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000062978614 521603332 /nfs/dbraw/zinc/60/33/32/521603332.db2.gz BGPFEBMXFVMPNT-JKSUJKDBSA-N 1 3 267.461 2.310 10 0 CEAEHO CCN1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)CN2CCCC2)C1 ZINC000049150109 521626777 /nfs/dbraw/zinc/62/67/77/521626777.db2.gz WPGJYKOHHMZZFL-ARFHVFGLSA-N 1 3 267.461 2.181 10 0 CEAEHO CCOC1CCN(Cc2cc(C[NH3+])c(C)o2)CC1 ZINC000052484005 521655800 /nfs/dbraw/zinc/65/58/00/521655800.db2.gz KMVZDDUIQWTOKP-UHFFFAOYSA-N 1 3 252.358 2.048 10 0 CEAEHO CCCN(CC[NH+](C)C)c1ccccc1CNCCOC ZINC000062738017 521658528 /nfs/dbraw/zinc/65/85/28/521658528.db2.gz UVCHMRCHNDULMJ-UHFFFAOYSA-N 1 3 293.455 2.201 10 0 CEAEHO C[NH+](C)C[C@H]1CCCN1[C@@H](CN)c1ccc(Cl)s1 ZINC000061642011 521871117 /nfs/dbraw/zinc/87/11/17/521871117.db2.gz BHEKJIXVYPQTAO-MNOVXSKESA-N 1 3 287.860 2.427 10 0 CEAEHO CNCc1cc(F)ccc1N1CCC[C@@H]1C[NH+](C)C ZINC000061646066 522113966 /nfs/dbraw/zinc/11/39/66/522113966.db2.gz MTIHPIKETGHNDD-CQSZACIVSA-N 1 3 265.376 2.076 10 0 CEAEHO CC[C@@H](C)N1CCN(CC[NH2+]Cc2cccs2)CC1 ZINC000055075530 522121889 /nfs/dbraw/zinc/12/18/89/522121889.db2.gz JLLCCNHIPURJTN-CQSZACIVSA-N 1 3 281.469 2.254 10 0 CEAEHO CC[C@@H](C)N1CCN(C[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000055083438 522124830 /nfs/dbraw/zinc/12/48/30/522124830.db2.gz BXAYSRFOZCFKGA-QAPCUYQASA-N 1 3 287.451 2.290 10 0 CEAEHO CC[C@@H](C)N1CCN([C@@H](C[NH3+])c2ccc(F)cc2F)CC1 ZINC000055064521 522129517 /nfs/dbraw/zinc/12/95/17/522129517.db2.gz BFONUPIPZHQDOV-WBMJQRKESA-N 1 3 297.393 2.381 10 0 CEAEHO CC[C@@H](C)N1CCN(c2ccc(F)cc2C[NH2+]C)CC1 ZINC000055068740 522133440 /nfs/dbraw/zinc/13/34/40/522133440.db2.gz LJEYGFBOZSYGLZ-CYBMUJFWSA-N 1 3 279.403 2.466 10 0 CEAEHO C[NH2+]Cc1ccccc1CN1CCN(C(C)(C)C)CC1 ZINC000052571707 522133760 /nfs/dbraw/zinc/13/37/60/522133760.db2.gz KWCJSQNENLPWOL-UHFFFAOYSA-N 1 3 275.440 2.322 10 0 CEAEHO C[NH2+]Cc1oc(CN(C)[C@H]2CCSC2)cc1C ZINC000052453724 522159788 /nfs/dbraw/zinc/15/97/88/522159788.db2.gz WILHUPBKHCIUNB-NSHDSACASA-N 1 3 254.399 2.245 10 0 CEAEHO CC[C@H](C[NH2+]C)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000061702403 522191065 /nfs/dbraw/zinc/19/10/65/522191065.db2.gz FLTNIKMIJKXCOU-HZPDHXFCSA-N 1 3 262.397 2.276 10 0 CEAEHO CC[C@H](C[NH2+]CC(C)C)N1CCN(CC2CC2)CC1 ZINC000052372420 522194173 /nfs/dbraw/zinc/19/41/73/522194173.db2.gz FYGRVQPHKDUNTQ-MRXNPFEDSA-N 1 3 267.461 2.038 10 0 CEAEHO CC[C@H]([NH3+])[C@@H](N1CCN(CC(C)C)CC1)C(C)(C)C ZINC000055077220 522337414 /nfs/dbraw/zinc/33/74/14/522337414.db2.gz LWCDITSLKIXXMO-LSDHHAIUSA-N 1 3 269.477 2.412 10 0 CEAEHO C[NH2+][C@H]1CCCCC[C@H]1CN1CCN(CC(C)C)CC1 ZINC000055082046 522490883 /nfs/dbraw/zinc/49/08/83/522490883.db2.gz BEVCWHSXKFPEJC-IRXDYDNUSA-N 1 3 281.488 2.428 10 0 CEAEHO COC1CCN(C[C@@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054559809 522705371 /nfs/dbraw/zinc/70/53/71/522705371.db2.gz IVLUPVDLFRJXSM-YCPHGPKFSA-N 1 3 268.445 2.497 10 0 CEAEHO CC[C@H]([C@H](N)c1ccccc1)[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061643464 522931305 /nfs/dbraw/zinc/93/13/05/522931305.db2.gz HIVDPBNUTJSOBG-BRWVUGGUSA-N 1 3 275.440 2.491 10 0 CEAEHO CC[C@H]([C@H](N)c1ccccc1)[N@H+]1CCC[C@@H]1CN(C)C ZINC000061643464 522931315 /nfs/dbraw/zinc/93/13/15/522931315.db2.gz HIVDPBNUTJSOBG-BRWVUGGUSA-N 1 3 275.440 2.491 10 0 CEAEHO CC[C@@](C)(CNC1CC1)C[N@H+]1CCC[C@@H]1CCCO ZINC000052763327 523639720 /nfs/dbraw/zinc/63/97/20/523639720.db2.gz ONUXQYXEEXGNNX-CVEARBPZSA-N 1 3 268.445 2.392 10 0 CEAEHO CC[C@@](C)(C[NH2+]C1CC1)CN1CCC[C@@H]1CCCO ZINC000052763327 523639729 /nfs/dbraw/zinc/63/97/29/523639729.db2.gz ONUXQYXEEXGNNX-CVEARBPZSA-N 1 3 268.445 2.392 10 0 CEAEHO CC[C@@](C)(CNC1CC1)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052763327 523639715 /nfs/dbraw/zinc/63/97/15/523639715.db2.gz ONUXQYXEEXGNNX-CVEARBPZSA-N 1 3 268.445 2.392 10 0 CEAEHO CN1CCC(Oc2ccc(C[NH3+])cc2Cl)CC1 ZINC000062793337 523783169 /nfs/dbraw/zinc/78/31/69/523783169.db2.gz CJBVSTUXMBBCRQ-UHFFFAOYSA-N 1 3 254.761 2.272 10 0 CEAEHO CC[C@H](C)[N@H+](CCOC)CC1(CNC2CC2)CCOCC1 ZINC000052183564 523939176 /nfs/dbraw/zinc/93/91/76/523939176.db2.gz LXMOCCPMNQMHLU-HNNXBMFYSA-N 1 3 298.471 2.282 10 0 CEAEHO CC[C@H](C)[N@@H+](CCOC)CC1(CNC2CC2)CCOCC1 ZINC000052183564 523939182 /nfs/dbraw/zinc/93/91/82/523939182.db2.gz LXMOCCPMNQMHLU-HNNXBMFYSA-N 1 3 298.471 2.282 10 0 CEAEHO CC[C@H](C)N(CCOC)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052183564 523939184 /nfs/dbraw/zinc/93/91/84/523939184.db2.gz LXMOCCPMNQMHLU-HNNXBMFYSA-N 1 3 298.471 2.282 10 0 CEAEHO C[C@@H]1CCC[C@](CN)([N@@H+]2CC[C@H](N3CCCC3)C2)[C@@H]1C ZINC000068629872 524429247 /nfs/dbraw/zinc/42/92/47/524429247.db2.gz BUBKGUNDSUYVMO-WCXIOVBPSA-N 1 3 279.472 2.310 10 0 CEAEHO C[C@@H]1CCC[C@](CN)([N@H+]2CC[C@H](N3CCCC3)C2)[C@@H]1C ZINC000068629872 524429255 /nfs/dbraw/zinc/42/92/55/524429255.db2.gz BUBKGUNDSUYVMO-WCXIOVBPSA-N 1 3 279.472 2.310 10 0 CEAEHO C[C@H]([NH3+])c1ccc(F)cc1OCCN1CCCC1 ZINC000062745338 524865577 /nfs/dbraw/zinc/86/55/77/524865577.db2.gz ZFTGFDMFTOBQSP-NSHDSACASA-N 1 3 252.333 2.320 10 0 CEAEHO C[C@@H]1[C@@H](C)CCC[C@@]1(C[NH3+])N1CCN(CC2CC2)CC1 ZINC000068628179 525646986 /nfs/dbraw/zinc/64/69/86/525646986.db2.gz AYGCGLVDEONFFY-UXLLHSPISA-N 1 3 279.472 2.168 10 0 CEAEHO Cc1ccc(C(N)=[NH2+])c(N2CCN(CC(C)C)CC2)c1 ZINC000055079657 526013102 /nfs/dbraw/zinc/01/31/02/526013102.db2.gz LHYOZROPXHECNF-UHFFFAOYSA-N 1 3 274.412 2.057 10 0 CEAEHO C[C@H]1CCCC[C@@H]1[NH2+]CCN(C)C1CCN(C)CC1 ZINC000053344205 526258217 /nfs/dbraw/zinc/25/82/17/526258217.db2.gz NTSRSBCECLZRJC-HOCLYGCPSA-N 1 3 267.461 2.181 10 0 CEAEHO CC(C)CN1CCC2(CC1)[NH2+]C[C@H](C(C)C)CO2 ZINC000757150278 574510747 /nfs/dbraw/zinc/51/07/47/574510747.db2.gz PJYMONMLMRBNNF-AWEZNQCLSA-N 1 3 254.418 2.327 10 0 CEAEHO CN(C[C@@H](O)CC1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000226467017 639547917 /nfs/dbraw/zinc/54/79/17/639547917.db2.gz KKDYUAJYBYXIIV-CABCVRRESA-N 1 3 254.418 2.002 10 0 CEAEHO