smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1nc([C@H]2CCC[N@H+]2CC2CCCCC2)c2c1CCOC2 ZINC000675010731 1083443290 /nfs/dbraw/zinc/44/32/90/1083443290.db2.gz JALCHLVJRLMHFG-QGZVFWFLSA-N 1 1 303.450 3.210 50 0 DGAAMO CC(C)[N@@H+]1CCOc2ccc(C(=O)NCc3ccccc3)cc2C1 ZINC000675018315 1083447335 /nfs/dbraw/zinc/44/73/35/1083447335.db2.gz PMVBJMWJSYMNKQ-UHFFFAOYSA-N 1 1 324.424 3.219 50 0 DGAAMO CC(C)[N@H+]1CCOc2ccc(C(=O)NCc3ccccc3)cc2C1 ZINC000675018315 1083447339 /nfs/dbraw/zinc/44/73/39/1083447339.db2.gz PMVBJMWJSYMNKQ-UHFFFAOYSA-N 1 1 324.424 3.219 50 0 DGAAMO COc1ccccc1-n1cc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)cn1 ZINC000824835159 1091726758 /nfs/dbraw/zinc/72/67/58/1091726758.db2.gz MVTNTPAJCFNLPC-CALCHBBNSA-N 1 1 309.413 3.279 50 0 DGAAMO COc1cccc([C@H]2CCCC[N@@H+]2Cc2cnc(OC)nc2)c1 ZINC000824851771 1091728003 /nfs/dbraw/zinc/72/80/03/1091728003.db2.gz FBKCEVBRTHSFGD-QGZVFWFLSA-N 1 1 313.401 3.221 50 0 DGAAMO COc1cccc([C@H]2CCCC[N@H+]2Cc2cnc(OC)nc2)c1 ZINC000824851771 1091728010 /nfs/dbraw/zinc/72/80/10/1091728010.db2.gz FBKCEVBRTHSFGD-QGZVFWFLSA-N 1 1 313.401 3.221 50 0 DGAAMO CN(C)c1ccc(Cl)cc1NC(=O)[C@H]1CCCCC[N@H+]1C ZINC000825521367 1091742042 /nfs/dbraw/zinc/74/20/42/1091742042.db2.gz JYKXXWDWBJLTFE-OAHLLOKOSA-N 1 1 309.841 3.219 50 0 DGAAMO O=C(NCc1ccc(Cl)cc1)N1CCC[N@H+](C2CCC2)CC1 ZINC000825545620 1091743587 /nfs/dbraw/zinc/74/35/87/1091743587.db2.gz SGBCSAMQXAKCKX-UHFFFAOYSA-N 1 1 321.852 3.110 50 0 DGAAMO Fc1cccnc1NCC1([NH+]2CCOCC2)CCCCCC1 ZINC000826629785 1091756545 /nfs/dbraw/zinc/75/65/45/1091756545.db2.gz OSRFRFBPHNEYSC-UHFFFAOYSA-N 1 1 307.413 3.058 50 0 DGAAMO CC(C)[N@H+]1CC2(CCN(C(=O)C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000581803184 1092278306 /nfs/dbraw/zinc/27/83/06/1092278306.db2.gz SLCWLVSYHVIXIU-SFHVURJKSA-N 1 1 312.457 3.471 50 0 DGAAMO Cc1c[nH+]c(C[C@@H]2CCN(C(=O)CC3CCCC3)C2)n1C1CC1 ZINC000581806136 1092280708 /nfs/dbraw/zinc/28/07/08/1092280708.db2.gz UCFQMFDAAHEOOH-INIZCTEOSA-N 1 1 315.461 3.498 50 0 DGAAMO CCNC(=O)NCCc1[nH+]cc(C)n1C1CCCCCCC1 ZINC000581816563 1092284255 /nfs/dbraw/zinc/28/42/55/1092284255.db2.gz ZMYDTSUMEDEXHV-UHFFFAOYSA-N 1 1 306.454 3.339 50 0 DGAAMO C[C@H]([NH2+]Cc1cnn(C)c1)c1ccc(C(F)(F)F)nc1Cl ZINC000585086145 1094982835 /nfs/dbraw/zinc/98/28/35/1094982835.db2.gz MKWKWBJUHMVTOD-QMMMGPOBSA-N 1 1 318.730 3.338 50 0 DGAAMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCCc2cccnc2)C1 ZINC000585116932 1095009275 /nfs/dbraw/zinc/00/92/75/1095009275.db2.gz MNDUWOMGDQLTLI-WMZOPIPTSA-N 1 1 317.477 3.031 50 0 DGAAMO COc1cnc(F)c(C[NH2+][C@@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000585117687 1095015548 /nfs/dbraw/zinc/01/55/48/1095015548.db2.gz SJHCXAIUUSSYJZ-GUYCJALGSA-N 1 1 317.408 3.010 50 0 DGAAMO COc1cc(C[N@H+](C)Cc2ocnc2C)ccc1OC(F)F ZINC000585120898 1095019153 /nfs/dbraw/zinc/01/91/53/1095019153.db2.gz VEZQOIIQRZNTEY-UHFFFAOYSA-N 1 1 312.316 3.225 50 0 DGAAMO COc1cc(C[N@@H+](C)Cc2ocnc2C)ccc1OC(F)F ZINC000585120898 1095019166 /nfs/dbraw/zinc/01/91/66/1095019166.db2.gz VEZQOIIQRZNTEY-UHFFFAOYSA-N 1 1 312.316 3.225 50 0 DGAAMO C=Cc1cccc(C[N@@H+](C)C[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000952961408 1096789343 /nfs/dbraw/zinc/78/93/43/1096789343.db2.gz GXOKOXKUEOHKGR-KRWDZBQOSA-N 1 1 300.446 3.408 50 0 DGAAMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCc2nccs2)C1 ZINC000078917049 185129022 /nfs/dbraw/zinc/12/90/22/185129022.db2.gz MNKSANCNHUOPCQ-AWEZNQCLSA-N 1 1 323.506 3.093 50 0 DGAAMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCc2ccccn2)C1 ZINC000078916818 185129423 /nfs/dbraw/zinc/12/94/23/185129423.db2.gz JETUIAFHTPIGSK-MRXNPFEDSA-N 1 1 317.477 3.031 50 0 DGAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)nnn3C)cc1 ZINC000079105530 185158945 /nfs/dbraw/zinc/15/89/45/185158945.db2.gz KJUFAVFZTUHBHJ-SFHVURJKSA-N 1 1 322.412 3.314 50 0 DGAAMO CCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000079309168 185164346 /nfs/dbraw/zinc/16/43/46/185164346.db2.gz NFZNMQUIPWBASU-INIZCTEOSA-N 1 1 311.429 3.034 50 0 DGAAMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCSc2ccccc21 ZINC000090223340 185287145 /nfs/dbraw/zinc/28/71/45/185287145.db2.gz SMMBBKWJKCKNOV-KGLIPLIRSA-N 1 1 300.431 3.248 50 0 DGAAMO Cn1ccnc1[C@H]1CCC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000082086781 192354376 /nfs/dbraw/zinc/35/43/76/192354376.db2.gz YALTUKOCOLSOTQ-HNNXBMFYSA-N 1 1 317.408 3.208 50 0 DGAAMO CCc1nc2c(s1)[C@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)CCC2 ZINC000090534090 185301285 /nfs/dbraw/zinc/30/12/85/185301285.db2.gz XHLYUMYGRUSXFL-GXFFZTMASA-N 1 1 304.463 3.335 50 0 DGAAMO CCc1[nH+]ccn1CCC(=O)N(C)[C@H](C)c1nc(C)sc1C ZINC000082114691 192357581 /nfs/dbraw/zinc/35/75/81/192357581.db2.gz ARGPLIDUYBOLAE-LLVKDONJSA-N 1 1 320.462 3.129 50 0 DGAAMO OC[C@@H]([NH2+]Cc1ccc(F)c(C(F)(F)F)c1)c1ccco1 ZINC000095440125 185365973 /nfs/dbraw/zinc/36/59/73/185365973.db2.gz HCIKZJNXVJGWNK-GFCCVEGCSA-N 1 1 303.255 3.261 50 0 DGAAMO C[N@@H+](CCc1ccc(Br)cc1)[C@H]1CCCC[C@@H]1O ZINC000097021895 185398457 /nfs/dbraw/zinc/39/84/57/185398457.db2.gz SXOQMRVJOCWDSH-GJZGRUSLSA-N 1 1 312.251 3.227 50 0 DGAAMO Cc1nnc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)s1 ZINC000097033631 185399910 /nfs/dbraw/zinc/39/99/10/185399910.db2.gz AOYKXYYOCPZOKK-UKRRQHHQSA-N 1 1 303.431 3.104 50 0 DGAAMO Cc1nnc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)s1 ZINC000097033630 185399989 /nfs/dbraw/zinc/39/99/89/185399989.db2.gz AOYKXYYOCPZOKK-HIFRSBDPSA-N 1 1 303.431 3.104 50 0 DGAAMO Cc1cc([C@H](C)C(=O)N2CCC[C@H](n3cc[nH+]c3C)C2)c(C)o1 ZINC000069699794 190805388 /nfs/dbraw/zinc/80/53/88/190805388.db2.gz IMFQAPFFHZQQOU-BBRMVZONSA-N 1 1 315.417 3.369 50 0 DGAAMO O=C([C@@H]1C[C@H]1c1ccco1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000106832792 432021928 /nfs/dbraw/zinc/02/19/28/432021928.db2.gz VNEOFUMXQMVJTB-QZTJIDSGSA-N 1 1 324.424 3.118 50 0 DGAAMO Cc1nc[nH]c1-c1nccn1-c1cccc(C[NH+]2CCCC2)c1 ZINC000071745661 191019836 /nfs/dbraw/zinc/01/98/36/191019836.db2.gz ZAVVGEYKAMKKSE-UHFFFAOYSA-N 1 1 307.401 3.167 50 0 DGAAMO Cc1nnc(C[N@H+]2CCCC[C@@H]2CCc2cccc(O)c2)o1 ZINC000072130817 191044424 /nfs/dbraw/zinc/04/44/24/191044424.db2.gz ZLLFRFAXLAWAME-OAHLLOKOSA-N 1 1 301.390 3.071 50 0 DGAAMO Cc1cccc(C[N@H+]2CCCN(Cc3ccccc3F)CC2)n1 ZINC000072154394 191059998 /nfs/dbraw/zinc/05/99/98/191059998.db2.gz DHKMLECPUMXEGL-UHFFFAOYSA-N 1 1 313.420 3.237 50 0 DGAAMO Cc1cccc(CN2CCC[N@H+](Cc3ccccc3F)CC2)n1 ZINC000072154394 191059999 /nfs/dbraw/zinc/05/99/99/191059999.db2.gz DHKMLECPUMXEGL-UHFFFAOYSA-N 1 1 313.420 3.237 50 0 DGAAMO Cc1cccc(CN2CCC[N@@H+](Cc3ccccc3F)CC2)n1 ZINC000072154394 191060002 /nfs/dbraw/zinc/06/00/02/191060002.db2.gz DHKMLECPUMXEGL-UHFFFAOYSA-N 1 1 313.420 3.237 50 0 DGAAMO Cc1cc(C)n(CCC[N@H+](C)C[C@@H]2CCCN3CCCC[C@H]23)n1 ZINC000072164385 191063723 /nfs/dbraw/zinc/06/37/23/191063723.db2.gz GSLMQCOMIBUWEX-RBUKOAKNSA-N 1 1 318.509 3.086 50 0 DGAAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cn2ccccc2n1 ZINC000072253556 191087538 /nfs/dbraw/zinc/08/75/38/191087538.db2.gz ISTKXFAXKLYDLJ-MRXNPFEDSA-N 1 1 309.417 3.022 50 0 DGAAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cn2ccccc2n1 ZINC000072253556 191087539 /nfs/dbraw/zinc/08/75/39/191087539.db2.gz ISTKXFAXKLYDLJ-MRXNPFEDSA-N 1 1 309.417 3.022 50 0 DGAAMO c1cc([C@H]2CCC[N@H+](CCCc3nc4ccccc4o3)C2)n[nH]1 ZINC000072272647 191096125 /nfs/dbraw/zinc/09/61/25/191096125.db2.gz MHHFXUQUQHYFOX-AWEZNQCLSA-N 1 1 310.401 3.363 50 0 DGAAMO c1cc([C@H]2CCC[N@@H+](CCCc3nc4ccccc4o3)C2)[nH]n1 ZINC000072272647 191096128 /nfs/dbraw/zinc/09/61/28/191096128.db2.gz MHHFXUQUQHYFOX-AWEZNQCLSA-N 1 1 310.401 3.363 50 0 DGAAMO c1cc([C@H]2CCC[N@H+](CCCc3nc4ccccc4o3)C2)[nH]n1 ZINC000072272647 191096131 /nfs/dbraw/zinc/09/61/31/191096131.db2.gz MHHFXUQUQHYFOX-AWEZNQCLSA-N 1 1 310.401 3.363 50 0 DGAAMO CCOc1ccc(NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000164172801 186151402 /nfs/dbraw/zinc/15/14/02/186151402.db2.gz RFUMPOIYHOADHH-OAHLLOKOSA-N 1 1 319.449 3.185 50 0 DGAAMO Cc1[nH]cnc1-c1nccn1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000072426894 191162099 /nfs/dbraw/zinc/16/20/99/191162099.db2.gz ZCQCJRRSVSIFLY-KRWDZBQOSA-N 1 1 321.428 3.419 50 0 DGAAMO Cc1ccc[nH+]c1NCCn1ccnc1[C@@H]1CCOC(C)(C)C1 ZINC000072436314 191165480 /nfs/dbraw/zinc/16/54/80/191165480.db2.gz SKKSJPOQPLSBRH-OAHLLOKOSA-N 1 1 314.433 3.371 50 0 DGAAMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000072439619 191167270 /nfs/dbraw/zinc/16/72/70/191167270.db2.gz FIDJFUIGKNTRMR-INIZCTEOSA-N 1 1 315.392 3.338 50 0 DGAAMO c1ccc(CC[N@H+]2CCC[C@@]3(CCN(c4cnccn4)C3)C2)cc1 ZINC000072457807 191172524 /nfs/dbraw/zinc/17/25/24/191172524.db2.gz MJARCHJGKJTGEY-HXUWFJFHSA-N 1 1 322.456 3.012 50 0 DGAAMO c1ccc(C[N@H+]2CCC[C@@H](Nc3cnc4ccccc4n3)C2)nc1 ZINC000072475392 191177068 /nfs/dbraw/zinc/17/70/68/191177068.db2.gz YKTRKBSMCUJOPQ-MRXNPFEDSA-N 1 1 319.412 3.101 50 0 DGAAMO Fc1ccccc1C[N@H+]1CCCN(c2ccc3cc[nH]c3n2)CC1 ZINC000072478976 191179143 /nfs/dbraw/zinc/17/91/43/191179143.db2.gz VONBBFCRCNTEMG-UHFFFAOYSA-N 1 1 324.403 3.414 50 0 DGAAMO Cc1csc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)n1 ZINC000173186702 198193277 /nfs/dbraw/zinc/19/32/77/198193277.db2.gz LFZWPQLOCHMZEU-UHFFFAOYSA-N 1 1 315.442 3.302 50 0 DGAAMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccncc2Cl)C1 ZINC000067649615 432033664 /nfs/dbraw/zinc/03/36/64/432033664.db2.gz LDJJVJSQEFAEMQ-ZDUSSCGKSA-N 1 1 323.868 3.109 50 0 DGAAMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC000067649615 432033666 /nfs/dbraw/zinc/03/36/66/432033666.db2.gz LDJJVJSQEFAEMQ-ZDUSSCGKSA-N 1 1 323.868 3.109 50 0 DGAAMO CN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000073123767 191281658 /nfs/dbraw/zinc/28/16/58/191281658.db2.gz SHMLKSNRHWIHQV-UHFFFAOYSA-N 1 1 310.441 3.040 50 0 DGAAMO C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000003408996 181016455 /nfs/dbraw/zinc/01/64/55/181016455.db2.gz KEAOGVOZYAOWOY-HNNXBMFYSA-N 1 1 300.446 3.130 50 0 DGAAMO C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000003408996 181016456 /nfs/dbraw/zinc/01/64/56/181016456.db2.gz KEAOGVOZYAOWOY-HNNXBMFYSA-N 1 1 300.446 3.130 50 0 DGAAMO CC(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(C)o3)c2)C1 ZINC000067770744 432039510 /nfs/dbraw/zinc/03/95/10/432039510.db2.gz UELPZGNJGPUYRI-KRWDZBQOSA-N 1 1 312.413 3.213 50 0 DGAAMO O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCCCC1 ZINC000004746289 181146751 /nfs/dbraw/zinc/14/67/51/181146751.db2.gz NXQACWRWSZGMQE-MRXNPFEDSA-N 1 1 304.409 3.050 50 0 DGAAMO CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@@H]1[NH2+]CCCN(C)C ZINC000004834894 181159488 /nfs/dbraw/zinc/15/94/88/181159488.db2.gz DITWSVCWNJUFDK-BBWFWOEESA-N 1 1 312.498 3.066 50 0 DGAAMO Cc1ccc2[nH]c(=O)c(C[N@@H+](C)CCC[C@H]3CCCO3)cc2c1 ZINC000067868473 432044230 /nfs/dbraw/zinc/04/42/30/432044230.db2.gz WWCGDFGHBSBLBB-KRWDZBQOSA-N 1 1 314.429 3.228 50 0 DGAAMO COc1ccc(OC)c(C[NH2+]Cc2ccc(OC)cc2OC)c1 ZINC000004891809 181168843 /nfs/dbraw/zinc/16/88/43/181168843.db2.gz QKAYRBXMSRDDMI-UHFFFAOYSA-N 1 1 317.385 3.011 50 0 DGAAMO CCOc1cc(C=O)ccc1OCCC[N@H+]1CCC[C@@H](C)C1 ZINC000004869111 181166314 /nfs/dbraw/zinc/16/63/14/181166314.db2.gz AGPIFENIQPORQN-OAHLLOKOSA-N 1 1 305.418 3.399 50 0 DGAAMO CN(Cc1cc(-c2cccs2)n[nH]1)c1[nH+]cnc2[nH]ccc21 ZINC000067955612 432047649 /nfs/dbraw/zinc/04/76/49/432047649.db2.gz RJCJSOLTNIOBAJ-UHFFFAOYSA-N 1 1 310.386 3.046 50 0 DGAAMO COc1ccc(CC[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)cc1OC ZINC000005703436 181274997 /nfs/dbraw/zinc/27/49/97/181274997.db2.gz LZWIRPYVJIAELJ-JKSUJKDBSA-N 1 1 317.429 3.080 50 0 DGAAMO COc1ccc(CC[N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)cc1OC ZINC000005703436 181274999 /nfs/dbraw/zinc/27/49/99/181274999.db2.gz LZWIRPYVJIAELJ-JKSUJKDBSA-N 1 1 317.429 3.080 50 0 DGAAMO CCc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)o1 ZINC000133493018 432065477 /nfs/dbraw/zinc/06/54/77/432065477.db2.gz DLXRXSFJPBQGKG-OAHLLOKOSA-N 1 1 318.804 3.391 50 0 DGAAMO CCn1cc(CC[N@H+]2CCn3cccc3[C@H]2c2ccccc2)cn1 ZINC000170607471 432073533 /nfs/dbraw/zinc/07/35/33/432073533.db2.gz FMRYRNMPNMRKOP-HXUWFJFHSA-N 1 1 320.440 3.352 50 0 DGAAMO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000194895431 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431200014 /nfs/dbraw/zinc/20/00/14/431200014.db2.gz CEMMMGABLNSKLL-HNNXBMFYSA-N 1 1 314.429 3.204 50 0 DGAAMO COc1ccc(C(=O)OC[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000000268191 431155723 /nfs/dbraw/zinc/15/57/23/431155723.db2.gz VXDPQMMZUVIUEI-WBVHZDCISA-N 1 1 303.402 3.117 50 0 biogenic,in-vitro DGAAMO OCC[N@@H+](Cc1ccsc1)Cc1ccc(F)c2cccnc12 ZINC000069596425 431203715 /nfs/dbraw/zinc/20/37/15/431203715.db2.gz YMCVUGTZPPVYLW-UHFFFAOYSA-N 1 1 316.401 3.430 50 0 DGAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)Nc1ccc(F)cc1 ZINC000000613049 431203999 /nfs/dbraw/zinc/20/39/99/431203999.db2.gz RDEKMFOAUFQFAW-UHFFFAOYSA-N 1 1 313.376 3.006 50 0 aggregator DGAAMO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCc1ccccc1 ZINC000069627658 431206855 /nfs/dbraw/zinc/20/68/55/431206855.db2.gz BMAZRRBWTXBIHK-ROUUACIJSA-N 1 1 300.446 3.095 50 0 DGAAMO Cn1cc([C@H]2CCC[N@H+]2CCCc2nc3ccccc3o2)cn1 ZINC000069668867 431210356 /nfs/dbraw/zinc/21/03/56/431210356.db2.gz USKKQQUOZPWLFD-MRXNPFEDSA-N 1 1 310.401 3.331 50 0 DGAAMO CC[NH+]1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 ZINC000000860177 431210634 /nfs/dbraw/zinc/21/06/34/431210634.db2.gz GIAIQTVVSBZICF-UHFFFAOYSA-N 1 1 310.397 3.257 50 0 DGAAMO Cc1cnn(C[C@@H](C)[NH2+][C@H](C)c2nnc(-c3cccs3)o2)c1 ZINC000069739185 431216233 /nfs/dbraw/zinc/21/62/33/431216233.db2.gz WBUZNKKDCGOFDB-VXGBXAGGSA-N 1 1 317.418 3.042 50 0 DGAAMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cnc(C3CC3)s2)C1 ZINC000069779539 431221390 /nfs/dbraw/zinc/22/13/90/431221390.db2.gz WCPOQABCTBXGRP-ZDUSSCGKSA-N 1 1 316.430 3.003 50 0 DGAAMO Cc1nc(C(C)C)sc1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000069779856 431222050 /nfs/dbraw/zinc/22/20/50/431222050.db2.gz CRNHLMLIHYGZNR-UONOGXRCSA-N 1 1 321.490 3.274 50 0 DGAAMO c1cnn(C[C@H]2CCC[N@H+]2Cc2ncc(-c3ccccc3)o2)c1 ZINC000069893084 431228147 /nfs/dbraw/zinc/22/81/47/431228147.db2.gz MOBMIMCQFLTBCS-MRXNPFEDSA-N 1 1 308.385 3.203 50 0 DGAAMO Cc1cnn(C[C@H]2CCC[N@H+]2Cc2ccc(-n3ccnc3)cc2)c1 ZINC000069951649 431233095 /nfs/dbraw/zinc/23/30/95/431233095.db2.gz 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/nfs/dbraw/zinc/48/86/67/431488667.db2.gz MGOORGOAOBGSSY-UHFFFAOYSA-N 1 1 316.304 3.210 50 0 DGAAMO Cc1nn(C)c(Cl)c1[C@H]1CCC[N@H+]1CCc1ccccn1 ZINC000075605730 431490430 /nfs/dbraw/zinc/49/04/30/431490430.db2.gz KBFQGXVPPKBRBA-CQSZACIVSA-N 1 1 304.825 3.157 50 0 DGAAMO Fc1ccc(N[C@H]2CCC[N@@H+](Cc3ccncc3)C2)cc1F ZINC000012314417 431499030 /nfs/dbraw/zinc/49/90/30/431499030.db2.gz SYPUMIFABJCJKC-HNNXBMFYSA-N 1 1 303.356 3.436 50 0 DGAAMO Cc1nnc([C@H](C)[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)o1 ZINC000075838816 431501756 /nfs/dbraw/zinc/50/17/56/431501756.db2.gz HPKGFYAOFWMJQR-BLLLJJGKSA-N 1 1 300.406 3.342 50 0 DGAAMO Cc1nnc([C@H](C)[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)o1 ZINC000075838816 431501764 /nfs/dbraw/zinc/50/17/64/431501764.db2.gz HPKGFYAOFWMJQR-BLLLJJGKSA-N 1 1 300.406 3.342 50 0 DGAAMO Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)Cc2cc(=O)c(O)co2)cc1 ZINC000075886577 431503619 /nfs/dbraw/zinc/50/36/19/431503619.db2.gz LFKQHZSRRJGRER-DLBZAZTESA-N 1 1 313.397 3.422 50 0 DGAAMO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)Cc2cc(=O)c(O)co2)cc1 ZINC000075886575 431503682 /nfs/dbraw/zinc/50/36/82/431503682.db2.gz LFKQHZSRRJGRER-IRXDYDNUSA-N 1 1 313.397 3.422 50 0 DGAAMO C[C@H](C(=O)NCc1cccs1)[N@H+](C)Cc1cccc(F)c1 ZINC000012902167 431534438 /nfs/dbraw/zinc/53/44/38/431534438.db2.gz UZKMSTIQLWTHBK-GFCCVEGCSA-N 1 1 306.406 3.024 50 0 DGAAMO C[C@H](C(=O)NCc1cccs1)[N@@H+](C)Cc1cccc(F)c1 ZINC000012902167 431534442 /nfs/dbraw/zinc/53/44/42/431534442.db2.gz UZKMSTIQLWTHBK-GFCCVEGCSA-N 1 1 306.406 3.024 50 0 DGAAMO Cc1ccccc1C[N@H+](C)[C@@H](C)C(=O)NCc1cccs1 ZINC000012902161 431536209 /nfs/dbraw/zinc/53/62/09/431536209.db2.gz WONXGNOVTWGHNX-AWEZNQCLSA-N 1 1 302.443 3.193 50 0 DGAAMO C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1nnc2ccccn21 ZINC000012980757 431542186 /nfs/dbraw/zinc/54/21/86/431542186.db2.gz LHOJKGGFONOJRY-NSHDSACASA-N 1 1 318.327 3.182 50 0 DGAAMO Cc1cc(C)cc(OCC[N@@H+](C)CC(=O)NC2CCCCC2)c1 ZINC000013011253 431543067 /nfs/dbraw/zinc/54/30/67/431543067.db2.gz 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COc1ccccc1C[C@H](C)[N@@H+](C)CC(=O)NC1CCCCC1 ZINC000072772128 400402900 /nfs/dbraw/zinc/40/29/00/400402900.db2.gz BEHRZWSGMVICOT-HNNXBMFYSA-N 1 1 318.461 3.007 50 0 DGAAMO O=C(/C=C/c1cccs1)N[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000618257025 400553498 /nfs/dbraw/zinc/55/34/98/400553498.db2.gz PJECBNURROMBLQ-RDFMZFSFSA-N 1 1 318.467 3.214 50 0 DGAAMO CC[N@@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000075551832 400593531 /nfs/dbraw/zinc/59/35/31/400593531.db2.gz DRVYKFLNXIUMLM-UHFFFAOYSA-N 1 1 319.408 3.459 50 0 DGAAMO CC(C)n1c2ccccc2nc1[C@H](C)[NH2+]C[C@H](O)C(F)(F)F ZINC000162359651 400744006 /nfs/dbraw/zinc/74/40/06/400744006.db2.gz FXAUGKGTKWRFCD-GWCFXTLKSA-N 1 1 315.339 3.191 50 0 DGAAMO CC(=O)N1CCC([C@H]2CC[N@@H+](Cc3sccc3C)C2)CC1 ZINC000169783521 400760805 /nfs/dbraw/zinc/76/08/05/400760805.db2.gz GJWIECLCBXRSFB-INIZCTEOSA-N 1 1 306.475 3.137 50 0 DGAAMO C[N@H+](Cc1ccc(F)c(F)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000170610767 400765738 /nfs/dbraw/zinc/76/57/38/400765738.db2.gz 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ZINC000248012909 401065094 /nfs/dbraw/zinc/06/50/94/401065094.db2.gz JSHQYXIKYNOEOR-HKUYNNGSSA-N 1 1 311.425 3.354 50 0 DGAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc2c(cccc2F)[nH]1 ZINC000248084234 401065191 /nfs/dbraw/zinc/06/51/91/401065191.db2.gz AYOGBIUIMSCALS-IAGOWNOFSA-N 1 1 315.392 3.006 50 0 DGAAMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CCCc1cccs1 ZINC000248159124 401066505 /nfs/dbraw/zinc/06/65/05/401066505.db2.gz WWFBIOGBTMHJBF-JKSUJKDBSA-N 1 1 306.475 3.156 50 0 DGAAMO CO[C@H](c1ccccc1)[C@H](C)NC1CC[NH+](CC(C)C)CC1 ZINC000240900711 286023936 /nfs/dbraw/zinc/02/39/36/286023936.db2.gz ITJCWURRUSXDIM-LPHOPBHVSA-N 1 1 304.478 3.473 50 0 DGAAMO C[N@H+]1CCC[C@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000090216071 401263507 /nfs/dbraw/zinc/26/35/07/401263507.db2.gz GSTQAFMRLZFQIZ-IBGZPJMESA-N 1 1 308.425 3.310 50 0 DGAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)Cc1cccc(F)c1 ZINC000065740081 401277124 /nfs/dbraw/zinc/27/71/24/401277124.db2.gz AIZVWXFKYYVQFK-UHFFFAOYSA-N 1 1 323.371 3.179 50 0 DGAAMO 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CCCc1cc(NCC2(Cn3cc[nH+]c3C)CC2)n2nccc2n1 ZINC000072456911 431337349 /nfs/dbraw/zinc/33/73/49/431337349.db2.gz BPQKANOVRQWDRD-UHFFFAOYSA-N 1 1 324.432 3.079 50 0 DGAAMO C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H]1CCCc2ccccc21 ZINC000007327941 431340670 /nfs/dbraw/zinc/34/06/70/431340670.db2.gz ABGVXINTRYYIJC-SFHVURJKSA-N 1 1 319.408 3.433 50 0 DGAAMO C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H]1CCCc2ccccc21 ZINC000007327941 431340673 /nfs/dbraw/zinc/34/06/73/431340673.db2.gz ABGVXINTRYYIJC-SFHVURJKSA-N 1 1 319.408 3.433 50 0 DGAAMO Cn1c2ccccc2nc1C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000072716237 431346597 /nfs/dbraw/zinc/34/65/97/431346597.db2.gz PIHQZLUJGWPLMT-MRXNPFEDSA-N 1 1 313.445 3.497 50 0 DGAAMO Cc1ccc(NC(=O)C[N@H+](C)CCOc2cccc(C)c2)cc1 ZINC000007490228 431351581 /nfs/dbraw/zinc/35/15/81/431351581.db2.gz NIBAORRNDISDGQ-UHFFFAOYSA-N 1 1 312.413 3.253 50 0 DGAAMO Cc1ccc(NC(=O)C[N@@H+](C)CCOc2cccc(C)c2)cc1 ZINC000007490228 431351592 /nfs/dbraw/zinc/35/15/92/431351592.db2.gz 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Cc1ccccc1Oc1ncccc1C[NH2+]C1CCN(C)CC1 ZINC000011664905 431478840 /nfs/dbraw/zinc/47/88/40/431478840.db2.gz SGNRUNVHIONRQP-UHFFFAOYSA-N 1 1 311.429 3.366 50 0 DGAAMO COc1ccc(C(=O)[C@@H]2CCC[N@H+](C3CCC3)C2)c(OC)c1 ZINC000012704315 431522274 /nfs/dbraw/zinc/52/22/74/431522274.db2.gz MKNOOJFMMRTJJM-CYBMUJFWSA-N 1 1 303.402 3.151 50 0 DGAAMO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@H]3CO)c(C)o2)cc1 ZINC000012703162 431523270 /nfs/dbraw/zinc/52/32/70/431523270.db2.gz MCXKSEJGUUHWNL-HNNXBMFYSA-N 1 1 316.401 3.005 50 0 DGAAMO Fc1ccc(N[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1F ZINC000011822158 431484357 /nfs/dbraw/zinc/48/43/57/431484357.db2.gz TYZFXCTWJAJFRB-OAHLLOKOSA-N 1 1 303.356 3.436 50 0 DGAAMO O=C(/C=C/c1ccco1)N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000011818602 431485055 /nfs/dbraw/zinc/48/50/55/431485055.db2.gz HAJYYMDXHURPMK-DOJUMQAQSA-N 1 1 324.424 3.116 50 0 DGAAMO CC(C)=CC[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000012297634 431500121 /nfs/dbraw/zinc/50/01/21/431500121.db2.gz UYHQDBIZFNLWMJ-GOSISDBHSA-N 1 1 324.428 3.241 50 0 DGAAMO O=C(CC[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)NC1CC1 ZINC000012373281 431502909 /nfs/dbraw/zinc/50/29/09/431502909.db2.gz IYRQXCNRQXLHFH-CYBMUJFWSA-N 1 1 322.399 3.236 50 0 DGAAMO CC(C)C(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCC1)n2C ZINC000012381947 431503949 /nfs/dbraw/zinc/50/39/49/431503949.db2.gz OFFBKWZORLKNBX-UHFFFAOYSA-N 1 1 314.433 3.154 50 0 DGAAMO Cn1ccnc1C[N@H+]1CCC[C@@H](CCc2ccccc2F)C1 ZINC000012434232 431508979 /nfs/dbraw/zinc/50/89/79/431508979.db2.gz YKGSEAOBZDKCQY-HNNXBMFYSA-N 1 1 301.409 3.404 50 0 DGAAMO Cc1nc(C(=O)N[C@H]2CCC[N@H+](C3CCCCCC3)C2)cs1 ZINC000012479222 431510764 /nfs/dbraw/zinc/51/07/64/431510764.db2.gz SMIPOEYPKZOVCQ-AWEZNQCLSA-N 1 1 321.490 3.369 50 0 DGAAMO CC(C)[C@@H](CNc1nc2ccccc2s1)[NH+]1CCOCC1 ZINC000012913725 431536527 /nfs/dbraw/zinc/53/65/27/431536527.db2.gz FSVLHAHMAFAVSC-CQSZACIVSA-N 1 1 305.447 3.065 50 0 DGAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)NCc2ccccc2)cc1 ZINC000012927117 431538336 /nfs/dbraw/zinc/53/83/36/431538336.db2.gz CLQZEOMZYCWZEJ-LJQANCHMSA-N 1 1 324.424 3.149 50 0 DGAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1 ZINC000013040388 431543298 /nfs/dbraw/zinc/54/32/98/431543298.db2.gz MFGURFUNWWVTSX-GHMZBOCLSA-N 1 1 305.809 3.467 50 0 DGAAMO Cc1ccccc1C[N@@H+](C)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000013000514 431544385 /nfs/dbraw/zinc/54/43/85/431544385.db2.gz BATZXDLDEANSLR-IBGZPJMESA-N 1 1 308.425 3.447 50 0 DGAAMO Cc1ccccc1C[N@H+](C)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000013000514 431544392 /nfs/dbraw/zinc/54/43/92/431544392.db2.gz BATZXDLDEANSLR-IBGZPJMESA-N 1 1 308.425 3.447 50 0 DGAAMO CCc1nc(C[N@@H+]2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)no1 ZINC000076393811 431546746 /nfs/dbraw/zinc/54/67/46/431546746.db2.gz OAHQNRCJGAQHCL-GXTWGEPZSA-N 1 1 301.390 3.019 50 0 DGAAMO CCc1nc(C[N@H+]2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)no1 ZINC000076393811 431546753 /nfs/dbraw/zinc/54/67/53/431546753.db2.gz OAHQNRCJGAQHCL-GXTWGEPZSA-N 1 1 301.390 3.019 50 0 DGAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000014085966 431576668 /nfs/dbraw/zinc/57/66/68/431576668.db2.gz LFHKZHXVDJWQKP-MRXNPFEDSA-N 1 1 324.380 3.191 50 0 DGAAMO COCCC[C@H]1CCC[N@@H+](Cc2[nH]nc3ccc(OC)cc32)C1 ZINC000077438362 431593131 /nfs/dbraw/zinc/59/31/31/431593131.db2.gz LPJFXHJAQSGAGS-CQSZACIVSA-N 1 1 317.433 3.210 50 0 DGAAMO COCCC[C@H]1CCC[N@H+](Cc2n[nH]c3ccc(OC)cc32)C1 ZINC000077438362 431593137 /nfs/dbraw/zinc/59/31/37/431593137.db2.gz LPJFXHJAQSGAGS-CQSZACIVSA-N 1 1 317.433 3.210 50 0 DGAAMO COCCC[C@H]1CCC[N@@H+](Cc2n[nH]c3ccc(OC)cc32)C1 ZINC000077438362 431593148 /nfs/dbraw/zinc/59/31/48/431593148.db2.gz LPJFXHJAQSGAGS-CQSZACIVSA-N 1 1 317.433 3.210 50 0 DGAAMO COCCC[C@@H]1CCC[N@@H+](Cc2[nH]nc3ccc(OC)cc32)C1 ZINC000077438360 431593803 /nfs/dbraw/zinc/59/38/03/431593803.db2.gz LPJFXHJAQSGAGS-AWEZNQCLSA-N 1 1 317.433 3.210 50 0 DGAAMO COCCC[C@@H]1CCC[N@H+](Cc2n[nH]c3ccc(OC)cc32)C1 ZINC000077438360 431593809 /nfs/dbraw/zinc/59/38/09/431593809.db2.gz LPJFXHJAQSGAGS-AWEZNQCLSA-N 1 1 317.433 3.210 50 0 DGAAMO COCCC[C@@H]1CCC[N@@H+](Cc2n[nH]c3ccc(OC)cc32)C1 ZINC000077438360 431593815 /nfs/dbraw/zinc/59/38/15/431593815.db2.gz LPJFXHJAQSGAGS-AWEZNQCLSA-N 1 1 317.433 3.210 50 0 DGAAMO COCCC[C@@H]1CCCC[N@H+]1Cc1nc(C)n2ccccc12 ZINC000077469753 431597937 /nfs/dbraw/zinc/59/79/37/431597937.db2.gz RFQARCUIHYFWIQ-INIZCTEOSA-N 1 1 301.434 3.424 50 0 DGAAMO Cc1ccc(OCC[N@@H+](C)CC(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000015102631 431602759 /nfs/dbraw/zinc/60/27/59/431602759.db2.gz CSYYJUABWPZDKN-WMZOPIPTSA-N 1 1 318.461 3.001 50 0 DGAAMO Cc1ccc(OCC[N@H+](C)CC(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000015102631 431602767 /nfs/dbraw/zinc/60/27/67/431602767.db2.gz CSYYJUABWPZDKN-WMZOPIPTSA-N 1 1 318.461 3.001 50 0 DGAAMO Cc1ccc(OCC[N@@H+](C)CC(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000015102632 431603796 /nfs/dbraw/zinc/60/37/96/431603796.db2.gz CSYYJUABWPZDKN-SJLPKXTDSA-N 1 1 318.461 3.001 50 0 DGAAMO Cc1ccc(OCC[N@H+](C)CC(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000015102632 431603803 /nfs/dbraw/zinc/60/38/03/431603803.db2.gz CSYYJUABWPZDKN-SJLPKXTDSA-N 1 1 318.461 3.001 50 0 DGAAMO COCc1noc(C[N@@H+]2CCCC[C@H]2CCc2cccs2)n1 ZINC000077407547 431591763 /nfs/dbraw/zinc/59/17/63/431591763.db2.gz MPMVCHLNUMRASD-ZDUSSCGKSA-N 1 1 321.446 3.265 50 0 DGAAMO COCc1noc(C[N@H+]2CCCC[C@H]2CCc2cccs2)n1 ZINC000077407547 431591768 /nfs/dbraw/zinc/59/17/68/431591768.db2.gz MPMVCHLNUMRASD-ZDUSSCGKSA-N 1 1 321.446 3.265 50 0 DGAAMO COCCC[C@@H]1CCCC[N@H+]1Cc1cn2cc(C)ccc2n1 ZINC000077540622 431607865 /nfs/dbraw/zinc/60/78/65/431607865.db2.gz IBBYIAVCPPLXIF-KRWDZBQOSA-N 1 1 301.434 3.424 50 0 DGAAMO CCOC(=O)c1c(N)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000019313075 431620539 /nfs/dbraw/zinc/62/05/39/431620539.db2.gz PFENFDGYVLAFBR-UHFFFAOYSA-N 1 1 316.426 3.065 50 0 aggregator,investigational DGAAMO Cc1cc(CN2CCN(c3cc[nH+]cc3)CC2)c2ccccc2n1 ZINC000020992874 431630765 /nfs/dbraw/zinc/63/07/65/431630765.db2.gz ASXMQWFLSHEFHC-UHFFFAOYSA-N 1 1 318.424 3.260 50 0 DGAAMO C[C@](O)(c1ccc(F)cc1)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000023550012 431638482 /nfs/dbraw/zinc/63/84/82/431638482.db2.gz OQKRCYJKNVHGOE-MOPGFXCFSA-N 1 1 315.388 3.107 50 0 DGAAMO CC(C)CC[N@H+](CN1C(=O)NC2(CCCCCC2)C1=O)C1CC1 ZINC000026626050 431677690 /nfs/dbraw/zinc/67/76/90/431677690.db2.gz NGNKOPCOKDBCDN-UHFFFAOYSA-N 1 1 321.465 3.099 50 0 DGAAMO CC(C)CC[N@@H+](CN1C(=O)NC2(CCCCCC2)C1=O)C1CC1 ZINC000026626050 431677696 /nfs/dbraw/zinc/67/76/96/431677696.db2.gz NGNKOPCOKDBCDN-UHFFFAOYSA-N 1 1 321.465 3.099 50 0 DGAAMO COc1ccc(-c2nnc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)o2)cc1 ZINC000027342643 431685541 /nfs/dbraw/zinc/68/55/41/431685541.db2.gz SBNAMIFTPSKMEZ-BETUJISGSA-N 1 1 301.390 3.223 50 0 DGAAMO C[N@@H+]1CCN(C(=O)c2cc3ccccc3[nH]2)[C@H](c2ccccc2)C1 ZINC000030029995 431731766 /nfs/dbraw/zinc/73/17/66/431731766.db2.gz LVCMJARFKNEHAF-IBGZPJMESA-N 1 1 319.408 3.297 50 0 DGAAMO C[N@H+]1CCN(C(=O)c2cc3ccccc3[nH]2)[C@H](c2ccccc2)C1 ZINC000030029995 431731776 /nfs/dbraw/zinc/73/17/76/431731776.db2.gz LVCMJARFKNEHAF-IBGZPJMESA-N 1 1 319.408 3.297 50 0 DGAAMO CC[C@H](CNC(=O)NC1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000031050190 431752704 /nfs/dbraw/zinc/75/27/04/431752704.db2.gz NOAQQSGYKOSLFL-GOSISDBHSA-N 1 1 315.461 3.065 50 0 DGAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1c[nH]c2ccccc12 ZINC000032819908 431792691 /nfs/dbraw/zinc/79/26/91/431792691.db2.gz SXKVENRONXMXSF-MRXNPFEDSA-N 1 1 319.408 3.172 50 0 DGAAMO COc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000032911525 431799024 /nfs/dbraw/zinc/79/90/24/431799024.db2.gz JQECWGINXMGUTC-GOSISDBHSA-N 1 1 324.424 3.090 50 0 DGAAMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000032911516 431799255 /nfs/dbraw/zinc/79/92/55/431799255.db2.gz SVNMXUCAGGKOLK-INIZCTEOSA-N 1 1 312.388 3.220 50 0 DGAAMO Cc1ccccc1CC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000032399824 431776355 /nfs/dbraw/zinc/77/63/55/431776355.db2.gz VAXSFOGGHLLWSS-UHFFFAOYSA-N 1 1 322.452 3.102 50 0 DGAAMO Cc1ccc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000032398802 431776988 /nfs/dbraw/zinc/77/69/88/431776988.db2.gz FWFUYCTVRDQWRY-UHFFFAOYSA-N 1 1 308.425 3.173 50 0 DGAAMO C[N@H+]1CCN(C(=O)CCCc2ccccc2)C2(CCCC2)C1 ZINC000085472724 431839915 /nfs/dbraw/zinc/83/99/15/431839915.db2.gz DCUBXBKUXJSCRT-UHFFFAOYSA-N 1 1 300.446 3.096 50 0 DGAAMO Cc1csc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)n1 ZINC000037988461 431852562 /nfs/dbraw/zinc/85/25/62/431852562.db2.gz QLWVDNKDQJCTJP-UHFFFAOYSA-N 1 1 310.806 3.166 50 0 DGAAMO Cc1ccc(C[N@@H+](CC(C)C)C[C@@H](O)COc2ccccc2)o1 ZINC000036097513 431835278 /nfs/dbraw/zinc/83/52/78/431835278.db2.gz FONATRSYZSRQMI-QGZVFWFLSA-N 1 1 317.429 3.486 50 0 DGAAMO Cc1ccc(C[N@@H+](Cc2ccco2)C[C@@H](O)COCC(C)C)o1 ZINC000036097618 431835374 /nfs/dbraw/zinc/83/53/74/431835374.db2.gz WAIVWPFPGMJDFN-MRXNPFEDSA-N 1 1 321.417 3.217 50 0 DGAAMO Cc1ccc(C[N@H+](Cc2ccco2)C[C@@H](O)COCC(C)C)o1 ZINC000036097618 431835377 /nfs/dbraw/zinc/83/53/77/431835377.db2.gz WAIVWPFPGMJDFN-MRXNPFEDSA-N 1 1 321.417 3.217 50 0 DGAAMO Cc1cccc(C[N@@H+](C[C@@H](O)COc2ccccc2)C2CC2)c1 ZINC000036098793 431835637 /nfs/dbraw/zinc/83/56/37/431835637.db2.gz AKOKHRFGOXFFBM-LJQANCHMSA-N 1 1 311.425 3.399 50 0 DGAAMO COc1cccc(C[N@@H+](CC(C)C)C[C@H](O)COCC(C)C)c1 ZINC000036100091 431835884 /nfs/dbraw/zinc/83/58/84/431835884.db2.gz RFRNXGGQRJVBPR-SFHVURJKSA-N 1 1 323.477 3.187 50 0 DGAAMO COc1ccccc1C[N@@H+](C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036102859 431836005 /nfs/dbraw/zinc/83/60/05/431836005.db2.gz ZCXBNTQXYZXMCC-MRXNPFEDSA-N 1 1 309.450 3.082 50 0 DGAAMO CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H](C)c1ccccc1OC ZINC000095459137 431926185 /nfs/dbraw/zinc/92/61/85/431926185.db2.gz FSOYWSRXIMLBTH-SOUVJXGZSA-N 1 1 304.434 3.135 50 0 DGAAMO COc1ccc([C@@H](C)[NH2+]Cc2cccc3c2OCO3)c(OC)c1 ZINC000047702861 431914336 /nfs/dbraw/zinc/91/43/36/431914336.db2.gz IZYOXKAVWYGKDQ-GFCCVEGCSA-N 1 1 315.369 3.283 50 0 DGAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C3CC3)cc2)C1 ZINC000048300586 431921968 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301.434 3.015 50 0 DGAAMO Fc1ccc2nc(C3CC[NH+]([C@H]4CCSC4)CC3)[nH]c2c1 ZINC000670469510 547758243 /nfs/dbraw/zinc/75/82/43/547758243.db2.gz XHNUCNAFLUTQJQ-ZDUSSCGKSA-N 1 1 305.422 3.387 50 0 DGAAMO Cc1[nH+]ccn1[C@H]1CCCN(c2ncnc3c(F)cccc32)C1 ZINC000683388446 549478244 /nfs/dbraw/zinc/47/82/44/549478244.db2.gz MDTQKDJRXDTKLQ-ZDUSSCGKSA-N 1 1 311.364 3.115 50 0 DGAAMO CC(C)N1CCC([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)CC1 ZINC000170042475 563903031 /nfs/dbraw/zinc/90/30/31/563903031.db2.gz KKJCYBRKDWZTPQ-IEBWSBKVSA-N 1 1 302.462 3.227 50 0 DGAAMO CCCNC(=O)c1cccc(C[NH2+][C@H]2COCc3ccccc32)c1 ZINC000888099301 618625781 /nfs/dbraw/zinc/62/57/81/618625781.db2.gz YZGUNOHYFXXMNL-IBGZPJMESA-N 1 1 324.424 3.188 50 0 DGAAMO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2c(C)noc2C)c1 ZINC000863983330 621724284 /nfs/dbraw/zinc/72/42/84/621724284.db2.gz FUWCKANOCQXLIH-LBPRGKRZSA-N 1 1 315.417 3.282 50 0 DGAAMO CCC[C@@]1(CO)CC[N@@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000808797153 626862277 /nfs/dbraw/zinc/86/22/77/626862277.db2.gz 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CCCO[C@H]1CCC[N@@H+](Cc2coc3ccccc3c2=O)C1 ZINC000952988201 662210512 /nfs/dbraw/zinc/21/05/12/662210512.db2.gz OUJASJWKRBLFHN-HNNXBMFYSA-N 1 1 301.386 3.184 50 0 DGAAMO C[N@H+](Cc1cccc2nonc21)C[C@@H]1CCN(c2ccccc2)C1 ZINC000952991424 662210574 /nfs/dbraw/zinc/21/05/74/662210574.db2.gz RKWYWNXAOOMVMO-HNNXBMFYSA-N 1 1 322.412 3.181 50 0 DGAAMO Cn1cc([C@@H]2CCC[N@H+]2CC2([C@H]3CCCCO3)CCC2)cn1 ZINC000952994474 662210939 /nfs/dbraw/zinc/21/09/39/662210939.db2.gz PRAQFVWQQJTZQK-DLBZAZTESA-N 1 1 303.450 3.296 50 0 DGAAMO CCc1csc(Cn2ccnc2[C@@H]2CCC[N@H+](CC)C2)n1 ZINC000072128056 685058691 /nfs/dbraw/zinc/05/86/91/685058691.db2.gz NVYLAGFQHZWZMK-CYBMUJFWSA-N 1 1 304.463 3.150 50 0 DGAAMO CCc1ccccc1OC1C[NH+](CC[C@@H](O)c2ccccc2)C1 ZINC001506408344 1186222696 /nfs/dbraw/zinc/22/26/96/1186222696.db2.gz RRGYWNHIMDEQBC-LJQANCHMSA-N 1 1 311.425 3.436 50 0 DGAAMO Cc1cnc(C[N@@H+](Cc2ccccc2C)C[C@@H]2CCCO2)cn1 ZINC001506407471 1186222745 /nfs/dbraw/zinc/22/27/45/1186222745.db2.gz 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1202519361 /nfs/dbraw/zinc/51/93/61/1202519361.db2.gz CMNFIIYFGUYGBT-MOPGFXCFSA-N 1 1 319.445 3.091 50 0 DGAAMO CC(=O)N[C@@H]1CCCN(c2cc(C)c3cc4c(cc3[nH+]2)CCC4)C1 ZINC001704297477 1202519485 /nfs/dbraw/zinc/51/94/85/1202519485.db2.gz AKGBCPPCJMXVDX-QGZVFWFLSA-N 1 1 323.440 3.137 50 0 DGAAMO O[C@@H]1CCC[C@@]12CCC[N@@H+](CCCOCc1ccccc1)C2 ZINC001704326545 1202521016 /nfs/dbraw/zinc/52/10/16/1202521016.db2.gz GQMJHUGLCGLCLQ-MOPGFXCFSA-N 1 1 303.446 3.220 50 0 DGAAMO Clc1cnn(CC[N@H+]2CCCC[C@H]2CCc2ccccn2)c1 ZINC001704347405 1202522198 /nfs/dbraw/zinc/52/21/98/1202522198.db2.gz KWOCTHSRPPGVJB-KRWDZBQOSA-N 1 1 318.852 3.419 50 0 DGAAMO CSc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccn2)c1 ZINC001704352320 1202522442 /nfs/dbraw/zinc/52/24/42/1202522442.db2.gz CCQZEPGXOWZVKV-ZDUSSCGKSA-N 1 1 315.442 3.263 50 0 DGAAMO CSc1cccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccn2)c1 ZINC001704352320 1202522443 /nfs/dbraw/zinc/52/24/43/1202522443.db2.gz CCQZEPGXOWZVKV-ZDUSSCGKSA-N 1 1 315.442 3.263 50 0 DGAAMO c1ccc(CO[C@H]2CCC[N@H+](CCCc3cccnc3)C2)nc1 ZINC001704355014 1202522709 /nfs/dbraw/zinc/52/27/09/1202522709.db2.gz KMWASMRFVDHVOM-IBGZPJMESA-N 1 1 311.429 3.090 50 0 DGAAMO CCn1nc([C@H]2CCC[N@@H+]2Cc2ccsc2)c2c1CCOC2 ZINC000675011281 1083441219 /nfs/dbraw/zinc/44/12/19/1083441219.db2.gz NBYNSQZCJCUDOQ-MRXNPFEDSA-N 1 1 317.458 3.374 50 0 DGAAMO CCn1nc([C@H]2CCC[N@H+]2Cc2ccsc2)c2c1CCOC2 ZINC000675011281 1083441228 /nfs/dbraw/zinc/44/12/28/1083441228.db2.gz NBYNSQZCJCUDOQ-MRXNPFEDSA-N 1 1 317.458 3.374 50 0 DGAAMO CC[C@H](C(=O)N(C)Cc1cc(Cl)ccc1OC)[N@@H+](C)CC ZINC000822541585 1091663298 /nfs/dbraw/zinc/66/32/98/1091663298.db2.gz IBDDOCDLYBVEKR-CQSZACIVSA-N 1 1 312.841 3.037 50 0 DGAAMO COc1ccc(-n2cccn2)c(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000824628596 1091723897 /nfs/dbraw/zinc/72/38/97/1091723897.db2.gz LEXGWNROGYRXBX-IYBDPMFKSA-N 1 1 309.413 3.279 50 0 DGAAMO Cc1[nH+]cn(CCNC(=O)[C@@H](C)Sc2ccc(C)cc2)c1C ZINC000825181562 1091732279 /nfs/dbraw/zinc/73/22/79/1091732279.db2.gz 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NC(=O)C[C@H]1CCC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000093808580 193309662 /nfs/dbraw/zinc/30/96/62/193309662.db2.gz WCZMAMGDVRGVNP-MRXNPFEDSA-N 1 1 316.445 3.095 50 0 DGAAMO c1cnn(-c2cccc(C[N@@H+]3CCO[C@H](c4ccco4)C3)c2)c1 ZINC000093841194 193315667 /nfs/dbraw/zinc/31/56/67/193315667.db2.gz FJEISJVBQRUXCA-SFHVURJKSA-N 1 1 309.369 3.039 50 0 DGAAMO c1cnn(-c2cccc(C[N@H+]3CCO[C@H](c4ccco4)C3)c2)c1 ZINC000093841194 193315668 /nfs/dbraw/zinc/31/56/68/193315668.db2.gz FJEISJVBQRUXCA-SFHVURJKSA-N 1 1 309.369 3.039 50 0 DGAAMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](Oc3ccncc3)C2)o1 ZINC000093865772 193320623 /nfs/dbraw/zinc/32/06/23/193320623.db2.gz WLQBNIWMLYDDQV-MRXNPFEDSA-N 1 1 324.384 3.026 50 0 DGAAMO CCC[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000013326603 181843449 /nfs/dbraw/zinc/84/34/49/181843449.db2.gz BYLNDKMNGZEPDC-UHFFFAOYSA-N 1 1 301.217 3.161 50 0 DGAAMO CCn1c(C[NH+]2CCCCC2)nc2cc(NC(C)=O)ccc21 ZINC000016651556 182056010 /nfs/dbraw/zinc/05/60/10/182056010.db2.gz 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ZINC000020254717 182200071 /nfs/dbraw/zinc/20/00/71/182200071.db2.gz SQVWEHFKRCMASW-VLGSPTGOSA-N 1 1 320.436 3.434 50 0 DGAAMO OCC[C@@H]1C[N@@H+](CC2CCCCC2)CCN1Cc1cccs1 ZINC000020918253 182253724 /nfs/dbraw/zinc/25/37/24/182253724.db2.gz NYYMKLCDRXYNCF-QGZVFWFLSA-N 1 1 322.518 3.197 50 0 DGAAMO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCCC[C@@H]1CCO ZINC000020908931 182253855 /nfs/dbraw/zinc/25/38/55/182253855.db2.gz BTXKGYDITJQTDY-CQSZACIVSA-N 1 1 306.431 3.448 50 0 DGAAMO CC[C@H](C)c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000020807174 182248155 /nfs/dbraw/zinc/24/81/55/182248155.db2.gz AAFRUTSENCMPBY-MWDXBVQZSA-N 1 1 321.461 3.049 50 0 DGAAMO CC[C@H](C)c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000020807174 182248157 /nfs/dbraw/zinc/24/81/57/182248157.db2.gz AAFRUTSENCMPBY-MWDXBVQZSA-N 1 1 321.461 3.049 50 0 DGAAMO CCCn1c(C[NH+]2CCCC2)nc2cc(NC(C)=O)ccc21 ZINC000021785499 182288836 /nfs/dbraw/zinc/28/88/36/182288836.db2.gz CYAJFHDAPLHEGO-UHFFFAOYSA-N 1 1 300.406 3.001 50 0 DGAAMO CC[NH+]1CCN(C(=O)Cc2coc3ccc4ccccc4c23)CC1 ZINC000022525143 182324708 /nfs/dbraw/zinc/32/47/08/182324708.db2.gz KAFVJBSPXUJZRE-UHFFFAOYSA-N 1 1 322.408 3.293 50 0 DGAAMO COc1ccccc1[C@H](CNC(=O)c1ccc(C)cc1)[NH+](C)C ZINC000023712178 182367447 /nfs/dbraw/zinc/36/74/47/182367447.db2.gz CKTRRXLQHGGWDL-KRWDZBQOSA-N 1 1 312.413 3.036 50 0 biogenic DGAAMO C[N@@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2nccs2)C1 ZINC000023360226 182358534 /nfs/dbraw/zinc/35/85/34/182358534.db2.gz XBVHWMHAODLKLJ-QGZVFWFLSA-N 1 1 315.486 3.282 50 0 DGAAMO C[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(F)cc1 ZINC000024518770 182382498 /nfs/dbraw/zinc/38/24/98/182382498.db2.gz AWFFVOJLQXWTFV-SCLBCKFNSA-N 1 1 312.388 3.496 50 0 DGAAMO CC[C@H]1c2ccsc2CC[N@@H+]1C[C@H](O)COCc1ccco1 ZINC000040007541 183027395 /nfs/dbraw/zinc/02/73/95/183027395.db2.gz LEUHXAYTWNNPRS-BBRMVZONSA-N 1 1 321.442 3.228 50 0 DGAAMO Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000040160688 183041191 /nfs/dbraw/zinc/04/11/91/183041191.db2.gz 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194352152 /nfs/dbraw/zinc/35/21/52/194352152.db2.gz OMFJNUMRWVTLIR-TZMCWYRMSA-N 1 1 317.389 3.006 50 0 DGAAMO COC(=O)c1ccc([C@@H](C)[N@H+]2CCC[C@@H]2c2cnn(C)c2C)o1 ZINC000110705904 194352155 /nfs/dbraw/zinc/35/21/55/194352155.db2.gz OMFJNUMRWVTLIR-TZMCWYRMSA-N 1 1 317.389 3.006 50 0 DGAAMO CC(C)[N@@H+](C)Cc1ccc(CNC(=O)COC2CCCC2)cc1 ZINC000054119289 183925202 /nfs/dbraw/zinc/92/52/02/183925202.db2.gz HZRAYLGKCAMSED-UHFFFAOYSA-N 1 1 318.461 3.102 50 0 DGAAMO Cc1ccc(C[N@H+](C)Cc2cc(=O)oc3cc(O)ccc23)cc1 ZINC000057332201 184033244 /nfs/dbraw/zinc/03/32/44/184033244.db2.gz QBSYWXADMGNWKN-UHFFFAOYSA-N 1 1 309.365 3.439 50 0 DGAAMO C[N@@H+]1CCN(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2)C1 ZINC000057389625 184036995 /nfs/dbraw/zinc/03/69/95/184036995.db2.gz PJQTYPQSHHDQAD-KRWDZBQOSA-N 1 1 313.376 3.346 50 0 DGAAMO C[N@H+]1CCN(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2)C1 ZINC000057389625 184036996 /nfs/dbraw/zinc/03/69/96/184036996.db2.gz PJQTYPQSHHDQAD-KRWDZBQOSA-N 1 1 313.376 3.346 50 0 DGAAMO Cc1ccc(C)c([C@H](C)[NH2+]Cc2nnnn2-c2ccccc2)c1 ZINC000058049479 184071164 /nfs/dbraw/zinc/07/11/64/184071164.db2.gz YOEOCUUPIAHAFU-HNNXBMFYSA-N 1 1 307.401 3.130 50 0 DGAAMO C[C@@H](Sc1ccccc1Cl)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000058161080 184082870 /nfs/dbraw/zinc/08/28/70/184082870.db2.gz KRCQTGZVZPLBRQ-NEPJUHHUSA-N 1 1 324.877 3.174 50 0 DGAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000058193225 184086474 /nfs/dbraw/zinc/08/64/74/184086474.db2.gz RGQKLYKPHXWULL-HNNXBMFYSA-N 1 1 314.454 3.390 50 0 DGAAMO c1cc(C2CC[NH+](CCCc3nc4ccccc4o3)CC2)[nH]n1 ZINC000058208452 184088197 /nfs/dbraw/zinc/08/81/97/184088197.db2.gz ZHWHLDYNVVZAQA-UHFFFAOYSA-N 1 1 310.401 3.363 50 0 DGAAMO CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000058264632 184096085 /nfs/dbraw/zinc/09/60/85/184096085.db2.gz HIMOYBIFLOMJKH-WMZOPIPTSA-N 1 1 302.462 3.417 50 0 DGAAMO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)CCc1ccccc1 ZINC000058315546 184104834 /nfs/dbraw/zinc/10/48/34/184104834.db2.gz NVDRVFHHVYNKQB-CQSZACIVSA-N 1 1 307.397 3.159 50 0 DGAAMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cc3c(s2)CCC3)CC1 ZINC000060395436 184148499 /nfs/dbraw/zinc/14/84/99/184148499.db2.gz QDJHCYSRLWTKJO-UHFFFAOYSA-N 1 1 320.502 3.429 50 0 DGAAMO CC[N@H+]1CCC[C@@H](Nc2nc(C)nc3sc4c(c32)CCC4)C1 ZINC000060452645 184149722 /nfs/dbraw/zinc/14/97/22/184149722.db2.gz YYJQMFPXGJKJEC-GFCCVEGCSA-N 1 1 316.474 3.385 50 0 DGAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC=CCC1 ZINC000062231046 184224157 /nfs/dbraw/zinc/22/41/57/184224157.db2.gz TUADSHGSRJLZLJ-RBUKOAKNSA-N 1 1 312.457 3.371 50 0 DGAAMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H](CN2CCCC2=O)C1 ZINC000065387747 184333734 /nfs/dbraw/zinc/33/37/34/184333734.db2.gz RSLDKZWZQTUDST-XEYRCQSKSA-N 1 1 312.457 3.424 50 0 DGAAMO Cn1cccc1C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000065286839 184322022 /nfs/dbraw/zinc/32/20/22/184322022.db2.gz DGIVACMDTRNRRK-INIZCTEOSA-N 1 1 321.428 3.190 50 0 DGAAMO Cc1ccsc1C[N@H+]1CCCC[C@H]1CCN1CCCC1=O ZINC000065456808 184347751 /nfs/dbraw/zinc/34/77/51/184347751.db2.gz UJTBIABGYRNXGR-HNNXBMFYSA-N 1 1 306.475 3.424 50 0 DGAAMO CC(=O)NCC1=CCC[N@@H+](CCc2cccc3ccccc32)C1 ZINC000065493721 184354086 /nfs/dbraw/zinc/35/40/86/184354086.db2.gz POZQDQBGSQPDRK-UHFFFAOYSA-N 1 1 308.425 3.151 50 0 DGAAMO C[C@@H](CCc1ccccc1)[NH2+]CCc1nnc(-c2cccnc2)[nH]1 ZINC000065405168 184338158 /nfs/dbraw/zinc/33/81/58/184338158.db2.gz DCWSJVRKSDOCEG-HNNXBMFYSA-N 1 1 321.428 3.020 50 0 DGAAMO C[C@@H](C(=O)Nc1nccs1)[N@H+](C)C/C=C/c1ccccc1 ZINC000065406420 184338521 /nfs/dbraw/zinc/33/85/21/184338521.db2.gz FLIFFHLOKRTYRK-PPGNKHEKSA-N 1 1 301.415 3.115 50 0 DGAAMO C[C@@H](C(=O)Nc1nccs1)[N@@H+](C)C/C=C/c1ccccc1 ZINC000065406420 184338522 /nfs/dbraw/zinc/33/85/22/184338522.db2.gz FLIFFHLOKRTYRK-PPGNKHEKSA-N 1 1 301.415 3.115 50 0 DGAAMO CC[N@H+](Cc1cnn(-c2ccc(C)c(C)c2)c1)C[C@@H]1CCCO1 ZINC000222570412 257274581 /nfs/dbraw/zinc/27/45/81/257274581.db2.gz RDBATTPPTNLJGF-IBGZPJMESA-N 1 1 313.445 3.490 50 0 DGAAMO CCNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071762766 257270578 /nfs/dbraw/zinc/27/05/78/257270578.db2.gz IRQVRVSXSWYVHV-KRWDZBQOSA-N 1 1 321.440 3.088 50 0 DGAAMO Cn1ccnc1C[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000097372119 400284742 /nfs/dbraw/zinc/28/47/42/400284742.db2.gz JPTCXEGUKDRYAT-ZDUSSCGKSA-N 1 1 309.335 3.428 50 0 DGAAMO C[C@@H]1CN(c2nccnc2F)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000404305499 400295497 /nfs/dbraw/zinc/29/54/97/400295497.db2.gz HSZGCGJVCXSEOP-RBSFLKMASA-N 1 1 314.408 3.103 50 0 DGAAMO CC(C)[N@H+]1C[C@H](CNC(=O)c2ccccn2)C2(C1)CCCCC2 ZINC000409419708 400301214 /nfs/dbraw/zinc/30/12/14/400301214.db2.gz ZLOGPQQXTGNHGG-INIZCTEOSA-N 1 1 315.461 3.102 50 0 DGAAMO CCn1ccnc1C[NH2+][C@H]1CCCc2c1cnn2C(C)(C)C ZINC000072291865 400379116 /nfs/dbraw/zinc/37/91/16/400379116.db2.gz IUXJBGQHKONERU-AWEZNQCLSA-N 1 1 301.438 3.022 50 0 DGAAMO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCC[C@@H]1Cn1cccn1 ZINC000071875488 400372075 /nfs/dbraw/zinc/37/20/75/400372075.db2.gz GTMMFPIUXVGZPY-GOEBONIOSA-N 1 1 323.400 3.159 50 0 DGAAMO Cc1ccc(C)n1[C@H](C)C(=O)N1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000072234604 400375845 /nfs/dbraw/zinc/37/58/45/400375845.db2.gz WPRMJNFPAYTLQK-WBVHZDCISA-N 1 1 314.433 3.035 50 0 DGAAMO Cc1cc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)c(C)n1C1CC1 ZINC000072234484 400376125 /nfs/dbraw/zinc/37/61/25/400376125.db2.gz VVSLNTGGXIAZKE-ROUUACIJSA-N 1 1 315.461 3.139 50 0 DGAAMO Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)c(C)n1C1CC1 ZINC000072234483 400376191 /nfs/dbraw/zinc/37/61/91/400376191.db2.gz VVSLNTGGXIAZKE-ZWKOTPCHSA-N 1 1 315.461 3.139 50 0 DGAAMO Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)c(C)n1C1CC1 ZINC000072234485 400376231 /nfs/dbraw/zinc/37/62/31/400376231.db2.gz VVSLNTGGXIAZKE-QZTJIDSGSA-N 1 1 315.461 3.139 50 0 DGAAMO Cc1[nH+]ccn1CCCC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000072285887 400378336 /nfs/dbraw/zinc/37/83/36/400378336.db2.gz HAAXZEMVSJHRQC-CQSZACIVSA-N 1 1 318.446 3.182 50 0 DGAAMO Cc1cnc(C[NH+]2CCC(c3nc4c(cccc4F)[nH]3)CC2)o1 ZINC000072667109 400396210 /nfs/dbraw/zinc/39/62/10/400396210.db2.gz RJZMTYVHHDGFAR-UHFFFAOYSA-N 1 1 314.364 3.378 50 0 DGAAMO Cc1cccc(Cl)c1OCCCCCN1CC[NH+](C)CC1 ZINC000039388711 400398314 /nfs/dbraw/zinc/39/83/14/400398314.db2.gz VFUZDKKRXDGHSL-UHFFFAOYSA-N 1 1 310.869 3.445 50 0 DGAAMO C[C@@H](c1ccccc1Br)[N@@H+](C)CCC1OCCO1 ZINC000123973032 400473390 /nfs/dbraw/zinc/47/33/90/400473390.db2.gz OOKZXVCZGKPRHJ-NSHDSACASA-N 1 1 314.223 3.205 50 0 DGAAMO CC(C)c1nnc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)o1 ZINC000076075613 400632633 /nfs/dbraw/zinc/63/26/33/400632633.db2.gz REBLMNPNYVNPHD-HOTGVXAUSA-N 1 1 315.417 3.281 50 0 DGAAMO CC(C)c1nnc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)o1 ZINC000076075613 400632634 /nfs/dbraw/zinc/63/26/34/400632634.db2.gz REBLMNPNYVNPHD-HOTGVXAUSA-N 1 1 315.417 3.281 50 0 DGAAMO CCCN(C)C(=O)c1c(C)oc2c1C[N@@H+](CCC(C)C)CC2 ZINC000169752018 400759577 /nfs/dbraw/zinc/75/95/77/400759577.db2.gz RQQZTFBEACRNGD-UHFFFAOYSA-N 1 1 306.450 3.474 50 0 DGAAMO Cc1c[nH+]c(CCNC(=O)CC2CCCCC2)n1CC1CC1 ZINC000169788133 400761075 /nfs/dbraw/zinc/76/10/75/400761075.db2.gz MECFJWSARQBSEL-UHFFFAOYSA-N 1 1 303.450 3.231 50 0 DGAAMO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@H](OC(C)(C)C)C1 ZINC000170601550 400765025 /nfs/dbraw/zinc/76/50/25/400765025.db2.gz QMPRUAFJLSOLCG-WFASDCNBSA-N 1 1 308.397 3.042 50 0 DGAAMO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@H](OC(C)(C)C)C1 ZINC000170601550 400765029 /nfs/dbraw/zinc/76/50/29/400765029.db2.gz QMPRUAFJLSOLCG-WFASDCNBSA-N 1 1 308.397 3.042 50 0 DGAAMO Cc1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccncc4)n[nH]3)C2)o1 ZINC000065286944 401263225 /nfs/dbraw/zinc/26/32/25/401263225.db2.gz KFJUIAJQUVPIRU-OAHLLOKOSA-N 1 1 323.400 3.148 50 0 DGAAMO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4ccncc4)[nH]3)C2)o1 ZINC000065286944 401263231 /nfs/dbraw/zinc/26/32/31/401263231.db2.gz KFJUIAJQUVPIRU-OAHLLOKOSA-N 1 1 323.400 3.148 50 0 DGAAMO Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(-c4ccncc4)[nH]3)C2)o1 ZINC000065286944 401263235 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/nfs/dbraw/zinc/38/14/67/432381467.db2.gz GSTCHJFEQQCRMS-QGTPRVQTSA-N 1 1 315.461 3.313 50 0 DGAAMO C[C@H](CN1CCN(C)CC1)[NH2+][C@H]1CCCC[C@H]1C1CCCCC1 ZINC000252510589 432381642 /nfs/dbraw/zinc/38/16/42/432381642.db2.gz ALRJDAOPULMUEH-HOJAQTOUSA-N 1 1 321.553 3.351 50 0 DGAAMO CCOCc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000252517899 432382591 /nfs/dbraw/zinc/38/25/91/432382591.db2.gz UPIYNTCYTPKEOL-RHSMWYFYSA-N 1 1 319.449 3.027 50 0 DGAAMO Cc1ncc(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)s1 ZINC000253425671 432396550 /nfs/dbraw/zinc/39/65/50/432396550.db2.gz VAUANDHOBHZRJB-CQSZACIVSA-N 1 1 313.426 3.076 50 0 DGAAMO Cc1csc(C[N@H+]2CCC[C@]2(CO)Cc2ccccc2)n1 ZINC000253428955 432397367 /nfs/dbraw/zinc/39/73/67/432397367.db2.gz OBGZVBXIGSHGOO-QGZVFWFLSA-N 1 1 302.443 3.021 50 0 DGAAMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ncnc2c(C)csc21 ZINC000192660848 432398119 /nfs/dbraw/zinc/39/81/19/432398119.db2.gz RZPFZHWVVGVOJT-CHWSQXEVSA-N 1 1 302.447 3.063 50 0 DGAAMO COc1ccc([C@H]([NH2+][C@@H](C)c2nc(C)cc(=O)[nH]2)C2CC2)cc1 ZINC000192767031 432411860 /nfs/dbraw/zinc/41/18/60/432411860.db2.gz NVADJRHYLARDGQ-YVEFUNNKSA-N 1 1 313.401 3.301 50 0 DGAAMO O=C1NCCCCC[N@H+](Cc2ccc(F)cc2F)[C@H]2CCC[C@@H]12 ZINC000257183427 432417024 /nfs/dbraw/zinc/41/70/24/432417024.db2.gz RJQGAACWNDGZJI-WBVHZDCISA-N 1 1 322.399 3.236 50 0 DGAAMO CCN(C(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000193554704 432480527 /nfs/dbraw/zinc/48/05/27/432480527.db2.gz SYQVZTLCDNDHKH-IYBDPMFKSA-N 1 1 318.461 3.166 50 0 DGAAMO CCN(C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000193554704 432480531 /nfs/dbraw/zinc/48/05/31/432480531.db2.gz SYQVZTLCDNDHKH-IYBDPMFKSA-N 1 1 318.461 3.166 50 0 DGAAMO Cc1nc(CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)cs1 ZINC000185456620 432502183 /nfs/dbraw/zinc/50/21/83/432502183.db2.gz UVIKRPTUDIVOMR-LBPRGKRZSA-N 1 1 307.488 3.392 50 0 DGAAMO COC[C@@H](C)[N@H+]1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1 ZINC000216190814 432647643 /nfs/dbraw/zinc/64/76/43/432647643.db2.gz KRVCXKWQMBUUIM-LLVKDONJSA-N 1 1 305.809 3.123 50 0 DGAAMO C[C@@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccncc1)c1cccs1 ZINC000195546888 432626325 /nfs/dbraw/zinc/62/63/25/432626325.db2.gz YCULEZYIIXCERM-OLZOCXBDSA-N 1 1 303.431 3.013 50 0 DGAAMO C[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccncc1)c1cccs1 ZINC000195546888 432626327 /nfs/dbraw/zinc/62/63/27/432626327.db2.gz YCULEZYIIXCERM-OLZOCXBDSA-N 1 1 303.431 3.013 50 0 DGAAMO CCc1nnc(C[NH2+][C@H]2CCCC[C@@H]2Oc2cccc(C)c2)o1 ZINC000195570285 432628028 /nfs/dbraw/zinc/62/80/28/432628028.db2.gz CSJHVPFVOKOSGG-HOTGVXAUSA-N 1 1 315.417 3.420 50 0 DGAAMO CC(=O)N1CC[C@H](C[N@H+](C)C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000195573094 432628214 /nfs/dbraw/zinc/62/82/14/432628214.db2.gz FOVIPNKDCMSRFL-UKRRQHHQSA-N 1 1 308.853 3.244 50 0 DGAAMO Cn1cc(CC[N@@H+](C)Cc2nc(-c3ccccc3)cs2)cn1 ZINC000215979903 432647955 /nfs/dbraw/zinc/64/79/55/432647955.db2.gz FNGBPCJPBLIHOS-UHFFFAOYSA-N 1 1 312.442 3.218 50 0 DGAAMO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(C)o3)cc2)C1 ZINC000216220483 432647060 /nfs/dbraw/zinc/64/70/60/432647060.db2.gz LPUCDUQLXPOTFJ-SFHVURJKSA-N 1 1 312.413 3.356 50 0 DGAAMO CCn1ccc2cc(C[N@@H+](C)CCN3CCCCC3=O)ccc21 ZINC000216423532 432648799 /nfs/dbraw/zinc/64/87/99/432648799.db2.gz UJNCFVDJFSRFBB-UHFFFAOYSA-N 1 1 313.445 3.106 50 0 DGAAMO Cc1ccc(NCCCNC(=O)c2cnc3ccccc3c2)[nH+]c1 ZINC000219200430 432662623 /nfs/dbraw/zinc/66/26/23/432662623.db2.gz NRSJJAXIKNICAQ-UHFFFAOYSA-N 1 1 320.396 3.170 50 0 DGAAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1cccc2cnccc21 ZINC000219598840 432663851 /nfs/dbraw/zinc/66/38/51/432663851.db2.gz AWUJSSWRPWTEOH-UHFFFAOYSA-N 1 1 322.412 3.375 50 0 DGAAMO CC[C@@H](O)c1cc2n(n1)CCC[N@H+](Cc1ccc(C)s1)C2 ZINC000221256498 432668363 /nfs/dbraw/zinc/66/83/63/432668363.db2.gz JJDRGKPBUYPQSI-MRXNPFEDSA-N 1 1 305.447 3.102 50 0 DGAAMO CC[C@@H](O)c1cc2n(n1)CCC[N@@H+](Cc1ccc(C)s1)C2 ZINC000221256498 432668367 /nfs/dbraw/zinc/66/83/67/432668367.db2.gz JJDRGKPBUYPQSI-MRXNPFEDSA-N 1 1 305.447 3.102 50 0 DGAAMO Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000225613661 432694690 /nfs/dbraw/zinc/69/46/90/432694690.db2.gz URKBEPNAIQSCJM-HOCLYGCPSA-N 1 1 306.837 3.139 50 0 DGAAMO O=C(NCCn1cc[nH+]c1C1CC1)Nc1ccccc1Cl ZINC000225567833 432694890 /nfs/dbraw/zinc/69/48/90/432694890.db2.gz NYUABKYFJPUZON-UHFFFAOYSA-N 1 1 304.781 3.236 50 0 DGAAMO CC(C)(C)C(=O)N1CCC([N@H+]2CCc3sccc3C2)CC1 ZINC000225688484 432696337 /nfs/dbraw/zinc/69/63/37/432696337.db2.gz DROAVWPLYUTSCT-UHFFFAOYSA-N 1 1 306.475 3.143 50 0 DGAAMO COC(=O)c1cccnc1C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000225847229 432700517 /nfs/dbraw/zinc/70/05/17/432700517.db2.gz PBXQRIRZEOJVES-UHFFFAOYSA-N 1 1 320.458 3.120 50 0 DGAAMO COC(=O)c1cccnc1C[N@H+]1CCSC2(CCCCC2)C1 ZINC000225847229 432700520 /nfs/dbraw/zinc/70/05/20/432700520.db2.gz PBXQRIRZEOJVES-UHFFFAOYSA-N 1 1 320.458 3.120 50 0 DGAAMO C[C@@H](c1cc(F)ccc1F)[N@H+](C)C[C@H](O)c1ccc(F)cn1 ZINC000241588354 432817346 /nfs/dbraw/zinc/81/73/46/432817346.db2.gz PCIPBQNSUSKEIB-QFYYESIMSA-N 1 1 310.319 3.225 50 0 DGAAMO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)C[C@H](O)c1ccc(F)cn1 ZINC000241588354 432817350 /nfs/dbraw/zinc/81/73/50/432817350.db2.gz PCIPBQNSUSKEIB-QFYYESIMSA-N 1 1 310.319 3.225 50 0 DGAAMO CC(C)c1cc(C[N@@H+]2CCCC[C@H]2CCN2CCCC2=O)no1 ZINC000244700896 432821735 /nfs/dbraw/zinc/82/17/35/432821735.db2.gz JVYPOAXAWSTDTQ-INIZCTEOSA-N 1 1 319.449 3.165 50 0 DGAAMO CC(C)c1cc(C[N@H+]2CCCC[C@H]2CCN2CCCC2=O)no1 ZINC000244700896 432821737 /nfs/dbraw/zinc/82/17/37/432821737.db2.gz JVYPOAXAWSTDTQ-INIZCTEOSA-N 1 1 319.449 3.165 50 0 DGAAMO COc1ccccc1C1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000244646908 432821808 /nfs/dbraw/zinc/82/18/08/432821808.db2.gz GRMCCWJHLHSGEB-QGZVFWFLSA-N 1 1 302.462 3.359 50 0 DGAAMO COc1ccccc1C1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000244646908 432821812 /nfs/dbraw/zinc/82/18/12/432821812.db2.gz GRMCCWJHLHSGEB-QGZVFWFLSA-N 1 1 302.462 3.359 50 0 DGAAMO Cc1ccccc1CNC(=O)C[N@@H+](C)[C@H](c1ccccn1)C1CC1 ZINC000244718995 432822416 /nfs/dbraw/zinc/82/24/16/432822416.db2.gz LUTCJZYVMVNKDU-FQEVSTJZSA-N 1 1 323.440 3.089 50 0 DGAAMO Cc1ccccc1CNC(=O)C[N@H+](C)[C@H](c1ccccn1)C1CC1 ZINC000244718995 432822423 /nfs/dbraw/zinc/82/24/23/432822423.db2.gz LUTCJZYVMVNKDU-FQEVSTJZSA-N 1 1 323.440 3.089 50 0 DGAAMO c1nc(C[N@@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)cs1 ZINC000244659728 432822559 /nfs/dbraw/zinc/82/25/59/432822559.db2.gz HHVPACBYBUFQQN-CYBMUJFWSA-N 1 1 312.442 3.474 50 0 DGAAMO Cc1ccccc1CNC(=O)C[N@@H+](C)[C@@H](c1ccccn1)C1CC1 ZINC000244718996 432822850 /nfs/dbraw/zinc/82/28/50/432822850.db2.gz LUTCJZYVMVNKDU-HXUWFJFHSA-N 1 1 323.440 3.089 50 0 DGAAMO Cc1ccccc1CNC(=O)C[N@H+](C)[C@@H](c1ccccn1)C1CC1 ZINC000244718996 432822852 /nfs/dbraw/zinc/82/28/52/432822852.db2.gz LUTCJZYVMVNKDU-HXUWFJFHSA-N 1 1 323.440 3.089 50 0 DGAAMO Cc1cc(-c2ccccc2)nc(CN2CCC[N@H+]3CCC[C@H]3C2)n1 ZINC000244873428 432823139 /nfs/dbraw/zinc/82/31/39/432823139.db2.gz WQFGUILSDGLMGH-SFHVURJKSA-N 1 1 322.456 3.122 50 0 DGAAMO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000241383103 432815697 /nfs/dbraw/zinc/81/56/97/432815697.db2.gz MSOPXUOKPTWALB-PSBWJHGTSA-N 1 1 318.505 3.107 50 0 DGAAMO Fc1ccc(OCC[N@H+]2CC[C@@]3(C2)CCCOC3)c(Cl)c1 ZINC000342004078 433409646 /nfs/dbraw/zinc/40/96/46/433409646.db2.gz YHMAJDXWWBXHHC-MRXNPFEDSA-N 1 1 313.800 3.360 50 0 DGAAMO C[NH+]1CCN(C(=O)NC23CC4(C)CC(C)(CC(C)(C4)C2)C3)CC1 ZINC000004185525 290014265 /nfs/dbraw/zinc/01/42/65/290014265.db2.gz KWBKTSOENJYLNH-UHFFFAOYSA-N 1 1 319.493 3.083 50 0 DGAAMO FC(F)(F)c1cccc(C[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)c1 ZINC000375808659 433570230 /nfs/dbraw/zinc/57/02/30/433570230.db2.gz GOHDRTYVNOPYFC-GFCCVEGCSA-N 1 1 310.323 3.203 50 0 DGAAMO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(OC)nn1)CCC2 ZINC000282641254 433623611 /nfs/dbraw/zinc/62/36/11/433623611.db2.gz BRBQOFRVUQCDOL-CYBMUJFWSA-N 1 1 318.446 3.014 50 0 DGAAMO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(OC)nn1)CCC2 ZINC000282641254 433623628 /nfs/dbraw/zinc/62/36/28/433623628.db2.gz BRBQOFRVUQCDOL-CYBMUJFWSA-N 1 1 318.446 3.014 50 0 DGAAMO O=C([C@@H]1CC12CC2)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000421742285 433713397 /nfs/dbraw/zinc/71/33/97/433713397.db2.gz FZRDIZDRDWNGNQ-INIZCTEOSA-N 1 1 318.848 3.174 50 0 DGAAMO O=C([C@@H]1CC12CC2)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000421742285 433713403 /nfs/dbraw/zinc/71/34/03/433713403.db2.gz FZRDIZDRDWNGNQ-INIZCTEOSA-N 1 1 318.848 3.174 50 0 DGAAMO COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000293944379 433937415 /nfs/dbraw/zinc/93/74/15/433937415.db2.gz IHMVMGMOAVRUHF-LBPRGKRZSA-N 1 1 304.217 3.349 50 0 DGAAMO COc1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](O)CC1 ZINC000293944379 433937421 /nfs/dbraw/zinc/93/74/21/433937421.db2.gz IHMVMGMOAVRUHF-LBPRGKRZSA-N 1 1 304.217 3.349 50 0 DGAAMO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2nccn2C)c(C)c1OC ZINC000348705498 434452727 /nfs/dbraw/zinc/45/27/27/434452727.db2.gz SLFDVICPDUDDQO-OLZOCXBDSA-N 1 1 303.406 3.158 50 0 DGAAMO C(=C\[C@@H]1CCC[N@@H+]1CCN1C[C@H]2CC[C@@H](C1)O2)\c1ccccc1 ZINC000542802405 314098843 /nfs/dbraw/zinc/09/88/43/314098843.db2.gz CRXVZMZLNHDRHT-KDWHXURISA-N 1 1 312.457 3.027 50 0 DGAAMO O=C(CC[N@@H+]1CCCC[C@@H]1C1(O)CC1)Nc1ccccc1Cl ZINC000576485588 316135988 /nfs/dbraw/zinc/13/59/88/316135988.db2.gz AVPGRQXVBJNINT-OAHLLOKOSA-N 1 1 322.836 3.048 50 0 DGAAMO C[NH+](C)CC(=O)Nc1ccc(N[C@@H]2CCc3ccccc32)cc1 ZINC000097232129 323210533 /nfs/dbraw/zinc/21/05/33/323210533.db2.gz MZSYLNKTJSMCGG-GOSISDBHSA-N 1 1 309.413 3.286 50 0 DGAAMO CC(C)Cn1ncnc1C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000124681702 323212024 /nfs/dbraw/zinc/21/20/24/323212024.db2.gz YBKBBHISSVQQFZ-NWDGAFQWSA-N 1 1 304.360 3.145 50 0 DGAAMO Fc1cc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)ccc1-n1cncn1 ZINC000582341232 324217067 /nfs/dbraw/zinc/21/70/67/324217067.db2.gz XZPFMHJKCNCRNY-MAUKXSAKSA-N 1 1 312.392 3.027 50 0 DGAAMO Cc1[nH]c2c(cc(C)cc2CNC(=O)[C@@H](C)n2cc[nH+]c2C)c1C ZINC000071758768 331922769 /nfs/dbraw/zinc/92/27/69/331922769.db2.gz NNDPGWGDVFAAAC-CQSZACIVSA-N 1 1 324.428 3.475 50 0 DGAAMO COCC[N@H+](Cc1[nH]c2ccc(F)cc2c1C)C[C@@H]1CCCO1 ZINC000215947859 333387506 /nfs/dbraw/zinc/38/75/06/333387506.db2.gz TUTKQPCXSRIHDL-HNNXBMFYSA-N 1 1 320.408 3.243 50 0 DGAAMO CC[N@@H+](C)[C@H](C)CCNC(=O)N(C)Cc1cccc(C)c1C ZINC000534630873 334307570 /nfs/dbraw/zinc/30/75/70/334307570.db2.gz XGSLDIRZQIKFPI-OAHLLOKOSA-N 1 1 305.466 3.175 50 0 DGAAMO Fc1cccc(F)c1-c1nc(C[NH2+][C@@H]2CCCSC2)no1 ZINC000534649277 334316728 /nfs/dbraw/zinc/31/67/28/334316728.db2.gz YWLQDEBUIFRGRE-SECBINFHSA-N 1 1 311.357 3.000 50 0 DGAAMO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CCS(=O)CC1 ZINC000079462812 337375252 /nfs/dbraw/zinc/37/52/52/337375252.db2.gz AITMXACKAFQJOV-UHFFFAOYSA-N 1 1 306.258 3.336 50 0 DGAAMO Cc1cn2c(C[N@H+]3CCC[C@@H](c4cn[nH]c4)C3)c(C)nc2s1 ZINC000092810018 545851645 /nfs/dbraw/zinc/85/16/45/545851645.db2.gz DWIQQLQLIAPOAN-CYBMUJFWSA-N 1 1 315.446 3.115 50 0 DGAAMO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH+]1C[C@@H](C)N[C@H](C)C1 ZINC000170086376 546100383 /nfs/dbraw/zinc/10/03/83/546100383.db2.gz QUEVYFXBMJYIOJ-OAGGEKHMSA-N 1 1 317.477 3.209 50 0 DGAAMO CC(C)(C[N@H+]1CC[C@H](c2ccccc2Cl)C1)N1CCOCC1 ZINC000214959683 546260832 /nfs/dbraw/zinc/26/08/32/546260832.db2.gz SFTWUIRBYNHCHA-HNNXBMFYSA-N 1 1 322.880 3.240 50 0 DGAAMO CC(C)(C)OC(=O)N1CCC(c2[nH]c3ccc(N)cc3[nH+]2)CC1 ZINC000585139533 547026060 /nfs/dbraw/zinc/02/60/60/547026060.db2.gz TWNXYYYWFQSZCH-UHFFFAOYSA-N 1 1 316.405 3.260 50 0 DGAAMO Cc1[nH+]ccn1[C@H](C)CC(=O)NCCCc1ccccc1F ZINC000670442928 547754519 /nfs/dbraw/zinc/75/45/19/547754519.db2.gz QNBVAMZDUNXGGT-CYBMUJFWSA-N 1 1 303.381 3.031 50 0 DGAAMO OC1(c2ccccn2)CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000670447662 547755526 /nfs/dbraw/zinc/75/55/26/547755526.db2.gz IYZFAYBLGRMZIB-UHFFFAOYSA-N 1 1 308.834 3.280 50 0 DGAAMO CC(C)(O)[C@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2F)C1 ZINC000670456232 547757144 /nfs/dbraw/zinc/75/71/44/547757144.db2.gz UJLPIQYYKDNZKN-NSHDSACASA-N 1 1 305.315 3.437 50 0 DGAAMO Cc1ncsc1C[N@@H+](C)CCc1nc2c(cccc2C)[nH]1 ZINC000670466936 547758083 /nfs/dbraw/zinc/75/80/83/547758083.db2.gz KRGNCIOQEYYSKL-UHFFFAOYSA-N 1 1 300.431 3.311 50 0 DGAAMO Cc1ncsc1C[N@H+](C)CCc1nc2cccc(C)c2[nH]1 ZINC000670466936 547758088 /nfs/dbraw/zinc/75/80/88/547758088.db2.gz KRGNCIOQEYYSKL-UHFFFAOYSA-N 1 1 300.431 3.311 50 0 DGAAMO Cc1ncsc1C[N@@H+](C)CCc1nc2cccc(C)c2[nH]1 ZINC000670466936 547758091 /nfs/dbraw/zinc/75/80/91/547758091.db2.gz KRGNCIOQEYYSKL-UHFFFAOYSA-N 1 1 300.431 3.311 50 0 DGAAMO COc1ccc2[nH]c(C[N@H+]3CC[C@@H](C(C)(C)O)C3)c(C)c2c1 ZINC000670469711 547759065 /nfs/dbraw/zinc/75/90/65/547759065.db2.gz LGKQIHRAZBKTCH-CYBMUJFWSA-N 1 1 302.418 3.078 50 0 DGAAMO CC(C)(O)[C@H]1CCC[N@H+]1CCOc1ccccc1C(F)(F)F ZINC000119152605 618075695 /nfs/dbraw/zinc/07/56/95/618075695.db2.gz VKRGSTRLRMAYEM-CQSZACIVSA-N 1 1 317.351 3.320 50 0 DGAAMO CN1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3s2)CCC1=O ZINC000011997515 660490924 /nfs/dbraw/zinc/49/09/24/660490924.db2.gz NJXMVVKRIVWTIJ-AWEZNQCLSA-N 1 1 302.443 3.344 50 0 DGAAMO COCC[N@H+]1CCC[C@@]2(CCN(C/C(C)=C/c3ccco3)C2)C1 ZINC000012073754 660495271 /nfs/dbraw/zinc/49/52/71/660495271.db2.gz WQNJPFGVFFUXFW-XEYRCQSKSA-N 1 1 318.461 3.117 50 0 DGAAMO Cc1ccc([C@@H]2C[C@H]3CN(C4CCCC4)C(=O)[C@]34CCC[N@@H+]24)o1 ZINC000012191860 660500243 /nfs/dbraw/zinc/50/02/43/660500243.db2.gz HLZUWTWMOBBKKL-QOKNQOGYSA-N 1 1 314.429 3.268 50 0 DGAAMO Cc1cccc(C[N@H+]2CCC[C@H](CCC(=O)N3CCCC3)C2)n1 ZINC000012320920 660529105 /nfs/dbraw/zinc/52/91/05/660529105.db2.gz BRHRRHBMXHJFSQ-QGZVFWFLSA-N 1 1 315.461 3.005 50 0 DGAAMO Cc1cccc(CN2CCC[C@@]3(CC[N@H+](C(C)C)C3)C2=O)c1 ZINC000012440542 660595263 /nfs/dbraw/zinc/59/52/63/660595263.db2.gz YZKDMFNDNDGKOH-IBGZPJMESA-N 1 1 300.446 3.218 50 0 DGAAMO Cc1ccc(-c2noc([C@H](C)[NH+]3CCC(C)(O)CC3)n2)cc1F ZINC000177322607 655599824 /nfs/dbraw/zinc/59/98/24/655599824.db2.gz KFIKEFMHLMEAOR-LBPRGKRZSA-N 1 1 319.380 3.092 50 0 DGAAMO Cc1ccn(CC[N@@H+]2CCC[C@@H]2c2nc3cc(F)ccc3[nH]2)n1 ZINC000019795101 656066666 /nfs/dbraw/zinc/06/66/66/656066666.db2.gz WTTGVDMGLUCNAN-MRXNPFEDSA-N 1 1 313.380 3.044 50 0 DGAAMO CCCC[N@H+]1CCC[C@H](CCc2nnc(C3CCOCC3)o2)C1 ZINC000257175757 656096740 /nfs/dbraw/zinc/09/67/40/656096740.db2.gz QRLIOONXIRMFPG-OAHLLOKOSA-N 1 1 321.465 3.408 50 0 DGAAMO O=C(NC[C@H]1CC[N@H+](Cc2cccc(Cl)c2)C1)C1CCC1 ZINC000067850577 659928037 /nfs/dbraw/zinc/92/80/37/659928037.db2.gz PDWZQBRURBWODS-CQSZACIVSA-N 1 1 306.837 3.078 50 0 DGAAMO CC[C@H](C(=O)N(C)CCC1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000067954646 659932530 /nfs/dbraw/zinc/93/25/30/659932530.db2.gz AGXKPTGECOBWFN-SFHVURJKSA-N 1 1 300.446 3.291 50 0 DGAAMO COc1ccc(Cl)c(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000191991825 662085460 /nfs/dbraw/zinc/08/54/60/662085460.db2.gz IDUMJBJOZQIDRJ-MRXNPFEDSA-N 1 1 305.809 3.419 50 0 DGAAMO COc1ccc(Cl)c(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000191991825 662085463 /nfs/dbraw/zinc/08/54/63/662085463.db2.gz IDUMJBJOZQIDRJ-MRXNPFEDSA-N 1 1 305.809 3.419 50 0 DGAAMO COCC[N@H+]1CCC[C@H]1COC(=O)/C=C/c1ccc(Cl)cc1 ZINC000083902880 662197471 /nfs/dbraw/zinc/19/74/71/662197471.db2.gz GWKBDGDXAAQSLI-FSNWXROXSA-N 1 1 323.820 3.007 50 0 DGAAMO CCc1[nH+]ccn1CCC(=O)NCc1csc2c1CCCC2 ZINC000952970662 662209454 /nfs/dbraw/zinc/20/94/54/662209454.db2.gz LKYVDJXFTOOGAB-UHFFFAOYSA-N 1 1 317.458 3.092 50 0 DGAAMO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1cnn(C(C)C)c1 ZINC000952972357 662209542 /nfs/dbraw/zinc/20/95/42/662209542.db2.gz SIDZIQOIDJUBCT-SFHVURJKSA-N 1 1 315.465 3.414 50 0 DGAAMO Cc1nc(C)c(C(=O)Nc2ccccc2Cn2cc[nH+]c2C)o1 ZINC000952982913 662210121 /nfs/dbraw/zinc/21/01/21/662210121.db2.gz HMRVPRWIOXUXNT-UHFFFAOYSA-N 1 1 310.357 3.097 50 0 DGAAMO CO[C@H]1CCC[N@@H+](Cc2cc3ccc(Cl)cc3[nH]c2=O)C1 ZINC000952984526 662210162 /nfs/dbraw/zinc/21/01/62/662210162.db2.gz XLFYFCYCZSTRLZ-AWEZNQCLSA-N 1 1 306.793 3.205 50 0 DGAAMO c1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000072162040 685059266 /nfs/dbraw/zinc/05/92/66/685059266.db2.gz VFYSFMCEPYOERK-GOSISDBHSA-N 1 1 304.397 3.392 50 0 DGAAMO OCC[C@@H]1CCCCC[N@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000342819275 685133415 /nfs/dbraw/zinc/13/34/15/685133415.db2.gz AUVOTORXDIEWHD-HNNXBMFYSA-N 1 1 313.388 3.458 50 0 DGAAMO CCOc1cc(C)c(C[N@@H+]2C[C@@H]3[C@@H](O)C[C@@H]3C2)cc1C(C)C ZINC001772701507 1176671402 /nfs/dbraw/zinc/67/14/02/1176671402.db2.gz QLYZGMYESORZJG-NJAFHUGGSA-N 1 1 303.446 3.330 50 0 DGAAMO Cc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CCCN2C(=O)[C@@H]1C ZINC001772707646 1176675801 /nfs/dbraw/zinc/67/58/01/1176675801.db2.gz WPUUUSWJUGXVTA-RDJZCZTQSA-N 1 1 308.425 3.343 50 0 DGAAMO C[C@@H]1C(=O)N2CCC[C@@H]2C[N@H+]1Cc1csc2ccccc12 ZINC001772711248 1176676617 /nfs/dbraw/zinc/67/66/17/1176676617.db2.gz RXBNGXGVLVIMIF-TZMCWYRMSA-N 1 1 300.427 3.096 50 0 DGAAMO C[C@@H]1C(=O)N2CCC[C@@H]2C[N@@H+]1Cc1csc2ccccc12 ZINC001772711248 1176676621 /nfs/dbraw/zinc/67/66/21/1176676621.db2.gz RXBNGXGVLVIMIF-TZMCWYRMSA-N 1 1 300.427 3.096 50 0 DGAAMO CCc1nnc(C[N@@H+]2CCCC[C@@H]2CCc2cccc(O)c2)[nH]1 ZINC001506398615 1186221428 /nfs/dbraw/zinc/22/14/28/1186221428.db2.gz NQWAIEXIZQGPHG-OAHLLOKOSA-N 1 1 314.433 3.060 50 0 DGAAMO CCc1nnc(C[N@H+]2CCCC[C@@H]2CCc2cccc(O)c2)[nH]1 ZINC001506398615 1186221434 /nfs/dbraw/zinc/22/14/34/1186221434.db2.gz NQWAIEXIZQGPHG-OAHLLOKOSA-N 1 1 314.433 3.060 50 0 DGAAMO Cn1cc(C[N@H+](C/C=C/c2ccccc2)C[C@@H]2CCCO2)cn1 ZINC001506398520 1186221871 /nfs/dbraw/zinc/22/18/71/1186221871.db2.gz CUPRJDWAPCTRDY-SQUITACLSA-N 1 1 311.429 3.115 50 0 DGAAMO Cn1cc(C[N@@H+](C/C=C/c2ccccc2)C[C@@H]2CCCO2)cn1 ZINC001506398520 1186221875 /nfs/dbraw/zinc/22/18/75/1186221875.db2.gz CUPRJDWAPCTRDY-SQUITACLSA-N 1 1 311.429 3.115 50 0 DGAAMO Fc1ccc(CNC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(F)c1F ZINC001506418574 1186225906 /nfs/dbraw/zinc/22/59/06/1186225906.db2.gz RQEZZVVHSXKRMJ-SWLSCSKDSA-N 1 1 312.379 3.458 50 0 DGAAMO CC(C)n1cc(NC(=O)[C@@H]2CCC[N@H+](C3CCCCC3)C2)cn1 ZINC001529110800 1187533055 /nfs/dbraw/zinc/53/30/55/1187533055.db2.gz PEDNPNDEWYFMGX-OAHLLOKOSA-N 1 1 318.465 3.447 50 0 DGAAMO Cc1ncsc1CC[N@@H+](C)CC(=O)Nc1ccc(F)cc1C ZINC001529178868 1187539320 /nfs/dbraw/zinc/53/93/20/1187539320.db2.gz RYQNUAZMIYQRCT-UHFFFAOYSA-N 1 1 321.421 3.012 50 0 DGAAMO Cc1ncsc1CC[N@H+](C)CC(=O)Nc1ccc(F)cc1C ZINC001529178868 1187539323 /nfs/dbraw/zinc/53/93/23/1187539323.db2.gz RYQNUAZMIYQRCT-UHFFFAOYSA-N 1 1 321.421 3.012 50 0 DGAAMO CCCn1nc(C)cc1NC(=O)[C@H](c1cccc(C)c1)[NH+](C)C ZINC001529198589 1187541174 /nfs/dbraw/zinc/54/11/74/1187541174.db2.gz DOCHVPMRZJDTFE-KRWDZBQOSA-N 1 1 314.433 3.151 50 0 DGAAMO Cc1ncc2c(n1)[C@@]1(CC2)CCC[N@@H+](CCc2ccccc2)C1 ZINC001704340269 1202521682 /nfs/dbraw/zinc/52/16/82/1202521682.db2.gz RYPWRGPMGSWRRX-HXUWFJFHSA-N 1 1 307.441 3.308 50 0 DGAAMO C[N@@H+](Cc1coc(-c2ccccc2)n1)[C@@H]1C[C@@H]2C[C@H](O)C[C@@H]2C1 ZINC001704351999 1202522653 /nfs/dbraw/zinc/52/26/53/1202522653.db2.gz VDBKCMJEDCIKTC-LVYXFOGZSA-N 1 1 312.413 3.323 50 0 DGAAMO CCc1ccc(C[N@H+](C)C[C@@H]2CC(c3ccccc3)=NO2)nc1 ZINC001704357648 1202522926 /nfs/dbraw/zinc/52/29/26/1202522926.db2.gz YKRJISAUIINQBQ-SFHVURJKSA-N 1 1 309.413 3.269 50 0 DGAAMO CCc1ccc(C[N@@H+](C)C[C@@H]2CC(c3ccccc3)=NO2)nc1 ZINC001704357648 1202522928 /nfs/dbraw/zinc/52/29/28/1202522928.db2.gz YKRJISAUIINQBQ-SFHVURJKSA-N 1 1 309.413 3.269 50 0 DGAAMO CCn1nc([C@H]2CCC[N@@H+]2Cc2cccs2)c2c1CCOC2 ZINC000675010804 1083444800 /nfs/dbraw/zinc/44/48/00/1083444800.db2.gz JNLDHTXHUCGDHL-MRXNPFEDSA-N 1 1 317.458 3.374 50 0 DGAAMO CCn1nc([C@H]2CCC[N@H+]2Cc2cccs2)c2c1CCOC2 ZINC000675010804 1083444805 /nfs/dbraw/zinc/44/48/05/1083444805.db2.gz JNLDHTXHUCGDHL-MRXNPFEDSA-N 1 1 317.458 3.374 50 0 DGAAMO c1cc(-c2ccc(C[N@H+]3CCC[C@H](c4cc[nH]n4)C3)s2)n[nH]1 ZINC000820415026 1091625167 /nfs/dbraw/zinc/62/51/67/1091625167.db2.gz WISPQWWRQJLSJT-LBPRGKRZSA-N 1 1 313.430 3.241 50 0 DGAAMO c1cc([C@H]2CCC[N@@H+](Cc3ccc(-c4cc[nH]n4)s3)C2)[nH]n1 ZINC000820415026 1091625177 /nfs/dbraw/zinc/62/51/77/1091625177.db2.gz WISPQWWRQJLSJT-LBPRGKRZSA-N 1 1 313.430 3.241 50 0 DGAAMO c1cc([C@H]2CCC[N@H+](Cc3ccc(-c4cc[nH]n4)s3)C2)[nH]n1 ZINC000820415026 1091625187 /nfs/dbraw/zinc/62/51/87/1091625187.db2.gz WISPQWWRQJLSJT-LBPRGKRZSA-N 1 1 313.430 3.241 50 0 DGAAMO c1cc(-c2ccc(C[N@H+]3CCC[C@@H](c4cc[nH]n4)C3)s2)n[nH]1 ZINC000820415021 1091625311 /nfs/dbraw/zinc/62/53/11/1091625311.db2.gz WISPQWWRQJLSJT-GFCCVEGCSA-N 1 1 313.430 3.241 50 0 DGAAMO c1cc([C@@H]2CCC[N@@H+](Cc3ccc(-c4cc[nH]n4)s3)C2)[nH]n1 ZINC000820415021 1091625317 /nfs/dbraw/zinc/62/53/17/1091625317.db2.gz WISPQWWRQJLSJT-GFCCVEGCSA-N 1 1 313.430 3.241 50 0 DGAAMO c1cc([C@@H]2CCC[N@H+](Cc3ccc(-c4cc[nH]n4)s3)C2)[nH]n1 ZINC000820415021 1091625323 /nfs/dbraw/zinc/62/53/23/1091625323.db2.gz WISPQWWRQJLSJT-GFCCVEGCSA-N 1 1 313.430 3.241 50 0 DGAAMO CC(C)C[N@H+]1CCCC[C@@H]1CCNC(=O)CCC(F)(F)F ZINC000821259987 1091640038 /nfs/dbraw/zinc/64/00/38/1091640038.db2.gz CVIDXOZVWLUWHH-CYBMUJFWSA-N 1 1 308.388 3.346 50 0 DGAAMO CC[C@@H](C(=O)NCc1ccccc1C(F)(F)F)[N@@H+](C)CC ZINC000822555726 1091665108 /nfs/dbraw/zinc/66/51/08/1091665108.db2.gz CZARUHJKQZOAMT-ZDUSSCGKSA-N 1 1 302.340 3.052 50 0 DGAAMO CC[N@@H+](C)C[C@H](C)c1nc(-c2ccco2)nn1CC(F)(F)F ZINC000823076041 1091680320 /nfs/dbraw/zinc/68/03/20/1091680320.db2.gz NQPHFYZFQMIYRI-JTQLQIEISA-N 1 1 316.327 3.156 50 0 DGAAMO CCN1C[C@H](CNc2cc(C)c3ccc(C)c(C)c3[nH+]2)CC1=O ZINC000823102329 1091682866 /nfs/dbraw/zinc/68/28/66/1091682866.db2.gz BNRLDLLSDMCDSI-HNNXBMFYSA-N 1 1 311.429 3.440 50 0 DGAAMO CN1CCCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000823778633 1091699218 /nfs/dbraw/zinc/69/92/18/1091699218.db2.gz JSBAGGUZWPPLGP-GOSISDBHSA-N 1 1 315.461 3.095 50 0 DGAAMO CNc1nc(NCC[C@H]2CCCC[N@H+]2C2CCCC2)ncc1F ZINC000824090526 1091716054 /nfs/dbraw/zinc/71/60/54/1091716054.db2.gz AQNORHBNGSHTRM-CQSZACIVSA-N 1 1 321.444 3.257 50 0 DGAAMO CC(C)C[N@@H+](Cc1ccncc1)C1CN(C(=O)c2ccccc2)C1 ZINC000581776645 1092270103 /nfs/dbraw/zinc/27/01/03/1092270103.db2.gz 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O[C@@H](C[N@H+](Cc1ccccc1)C[C@H]1CCOC1)c1cccs1 ZINC000088604414 185259759 /nfs/dbraw/zinc/25/97/59/185259759.db2.gz BYZJGJKXEWJCCS-SJORKVTESA-N 1 1 317.454 3.320 50 0 DGAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)CCCc2cccs2)C1 ZINC000082097510 192355474 /nfs/dbraw/zinc/35/54/74/192355474.db2.gz GKHCRCRTUDFVSU-CQSZACIVSA-N 1 1 306.475 3.156 50 0 DGAAMO Cc1[nH+]ccn1CC(=O)N1CCC(CCc2ccccc2)CC1 ZINC000082137434 192360212 /nfs/dbraw/zinc/36/02/12/192360212.db2.gz IMHGBHKPCBVXHB-UHFFFAOYSA-N 1 1 311.429 3.063 50 0 DGAAMO CCn1cc(C[N@@H+](C)C2CCN(c3ccc(F)cc3)CC2)cn1 ZINC000092762728 185338734 /nfs/dbraw/zinc/33/87/34/185338734.db2.gz ZVUSRIXHJPJGRN-UHFFFAOYSA-N 1 1 316.424 3.143 50 0 DGAAMO COC(=O)c1ccc(C[NH+]2CCC(C(F)(F)F)CC2)s1 ZINC000095411648 185357491 /nfs/dbraw/zinc/35/74/91/185357491.db2.gz PRLILEWUUOJHMR-UHFFFAOYSA-N 1 1 307.337 3.309 50 0 DGAAMO CCc1ccc(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)o1 ZINC000095415429 185358885 /nfs/dbraw/zinc/35/88/85/185358885.db2.gz NAXYOMQZGHPGFT-LBPRGKRZSA-N 1 1 322.430 3.064 50 0 DGAAMO CCOC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000095431930 185363452 /nfs/dbraw/zinc/36/34/52/185363452.db2.gz AEYFRRUMEQUPLU-MAUKXSAKSA-N 1 1 302.418 3.092 50 0 DGAAMO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1cc(C)on1 ZINC000095420852 185360573 /nfs/dbraw/zinc/36/05/73/185360573.db2.gz STJYGFMVCGRAGU-GFCCVEGCSA-N 1 1 301.390 3.052 50 0 DGAAMO COC(=O)C1=C(C)O[C@H](C[N@H+]2CCC[C@H]2c2ccccc2C)C1 ZINC000095444051 185367117 /nfs/dbraw/zinc/36/71/17/185367117.db2.gz CTXTVPVUAQGOAY-YJBOKZPZSA-N 1 1 315.413 3.368 50 0 DGAAMO Cn1nncc1C[NH2+][C@H](CC(F)(F)F)c1ccc(Cl)cc1 ZINC000095448940 185368317 /nfs/dbraw/zinc/36/83/17/185368317.db2.gz LPVYPGMGMSGDFP-GFCCVEGCSA-N 1 1 318.730 3.252 50 0 DGAAMO Fc1cc(C[NH2+][C@H]2CCCc3cn[nH]c32)ccc1OC(F)F ZINC000097021404 185398540 /nfs/dbraw/zinc/39/85/40/185398540.db2.gz ZDDHCINHSHDGFP-LBPRGKRZSA-N 1 1 311.307 3.317 50 0 DGAAMO Fc1cc(C[NH2+][C@H]2CCCc3c[nH]nc32)ccc1OC(F)F ZINC000097021404 185398541 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C(=C/c1ccccc1)\C[N@H+]1CCCN(Cc2ccncc2)CC1 ZINC000072162376 191063905 /nfs/dbraw/zinc/06/39/05/191063905.db2.gz QWSGHZIFWSLHAU-XBXARRHUSA-N 1 1 307.441 3.303 50 0 DGAAMO C(=C/c1ccccc1)\CN1CCC[N@H+](Cc2ccncc2)CC1 ZINC000072162376 191063908 /nfs/dbraw/zinc/06/39/08/191063908.db2.gz QWSGHZIFWSLHAU-XBXARRHUSA-N 1 1 307.441 3.303 50 0 DGAAMO C(=C/c1ccccc1)\CN1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000072162376 191063910 /nfs/dbraw/zinc/06/39/10/191063910.db2.gz QWSGHZIFWSLHAU-XBXARRHUSA-N 1 1 307.441 3.303 50 0 DGAAMO Brc1ccc(SCCC[NH+]2CCOCC2)cc1 ZINC000144330273 186035016 /nfs/dbraw/zinc/03/50/16/186035016.db2.gz PAWAQFXEPDKASW-UHFFFAOYSA-N 1 1 316.264 3.264 50 0 DGAAMO Cn1ccnc1[C@@H]1CCC[N@@H+](CCCCC2CCOCC2)C1 ZINC000225629281 186284809 /nfs/dbraw/zinc/28/48/09/186284809.db2.gz CWOHKISUZQCHHM-QGZVFWFLSA-N 1 1 305.466 3.196 50 0 DGAAMO C[N@@H+](CCc1ccccn1)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072418108 191157008 /nfs/dbraw/zinc/15/70/08/191157008.db2.gz KDBHAEDYAIDWLL-UHFFFAOYSA-N 1 1 312.457 3.460 50 0 DGAAMO CSCCC[N@H+]1CCCC12CCN(c1ccccn1)CC2 ZINC000072418214 191156452 /nfs/dbraw/zinc/15/64/52/191156452.db2.gz LUCVCHCLULGMLW-UHFFFAOYSA-N 1 1 305.491 3.270 50 0 DGAAMO Cc1ccc(N[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)nn1 ZINC000072430576 191163295 /nfs/dbraw/zinc/16/32/95/191163295.db2.gz CBCLTBMMLAKPPZ-GOSISDBHSA-N 1 1 310.445 3.294 50 0 DGAAMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000072439616 191167753 /nfs/dbraw/zinc/16/77/53/191167753.db2.gz FIDJFUIGKNTRMR-MRXNPFEDSA-N 1 1 315.392 3.338 50 0 DGAAMO CCCc1ccc(CN2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000072463011 191172893 /nfs/dbraw/zinc/17/28/93/191172893.db2.gz WYIGEPHYGQVICZ-IYBDPMFKSA-N 1 1 320.477 3.306 50 0 DGAAMO CCCc1ccc(C[NH+]2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000072463011 191172896 /nfs/dbraw/zinc/17/28/96/191172896.db2.gz WYIGEPHYGQVICZ-IYBDPMFKSA-N 1 1 320.477 3.306 50 0 DGAAMO O=C(CC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1)N1CCCC1 ZINC000072474801 191177578 /nfs/dbraw/zinc/17/75/78/191177578.db2.gz 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O=C(NCc1cccs1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000050026167 431945591 /nfs/dbraw/zinc/94/55/91/431945591.db2.gz SVHZHJMMPMFSTH-INIZCTEOSA-N 1 1 314.454 3.277 50 0 DGAAMO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccn1)Nc1ccccc1 ZINC000096424147 431947079 /nfs/dbraw/zinc/94/70/79/431947079.db2.gz IYAUOPOQLPZONL-GOSISDBHSA-N 1 1 324.428 3.258 50 0 DGAAMO CCO[C@H]1C[C@H]([N@H+](C)Cc2nc(C3CC3)no2)C12CCCC2 ZINC000096419732 431947385 /nfs/dbraw/zinc/94/73/85/431947385.db2.gz RDOCECRLELIADK-KBPBESRZSA-N 1 1 305.422 3.117 50 0 DGAAMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nc(C3CC3)no2)C12CCCC2 ZINC000096419732 431947388 /nfs/dbraw/zinc/94/73/88/431947388.db2.gz RDOCECRLELIADK-KBPBESRZSA-N 1 1 305.422 3.117 50 0 DGAAMO Cc1nc(C(C)(C)[NH2+]CC(=O)N2C[C@H](C)C[C@@H](C)C2)sc1C ZINC000096443586 431949839 /nfs/dbraw/zinc/94/98/39/431949839.db2.gz SAMAKDJDZBWTGJ-VXGBXAGGSA-N 1 1 323.506 3.089 50 0 DGAAMO Cc1nc(C(C)(C)[NH2+]CC(=O)N2C[C@@H](C)C[C@H](C)C2)sc1C ZINC000096443585 431950249 /nfs/dbraw/zinc/95/02/49/431950249.db2.gz 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CC(=O)Nc1nc(C[N@H+]2CCC[C@H]2Cc2ccccc2)cs1 ZINC000055505120 431982714 /nfs/dbraw/zinc/98/27/14/431982714.db2.gz BVWKXEKARDLUDB-INIZCTEOSA-N 1 1 315.442 3.309 50 0 DGAAMO COc1cc2[nH+]c(NCCCCCO)cc(C)c2cc1OC ZINC000055575210 431984174 /nfs/dbraw/zinc/98/41/74/431984174.db2.gz QGAZTJSTPDHPDG-UHFFFAOYSA-N 1 1 304.390 3.135 50 0 DGAAMO CCOc1ccccc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000055543072 431983543 /nfs/dbraw/zinc/98/35/43/431983543.db2.gz VFFVYCXEXPMZLR-UHFFFAOYSA-N 1 1 312.413 3.113 50 0 DGAAMO Cc1ccccc1-c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)NC3=O)cc1 ZINC000097532569 281327379 /nfs/dbraw/zinc/32/73/79/281327379.db2.gz CEAJGQARMYPVPG-MOPGFXCFSA-N 1 1 320.436 3.372 50 0 DGAAMO Cc1oc(-c2ccccc2C)nc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](O)C2 ZINC000102609626 431995189 /nfs/dbraw/zinc/99/51/89/431995189.db2.gz OCWYGLCOQWYNGB-ZSHCYNCHSA-N 1 1 312.413 3.446 50 0 DGAAMO CC[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000249694293 432353934 /nfs/dbraw/zinc/35/39/34/432353934.db2.gz 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Cc1scc(C(=O)N2CC[NH+](C)CC2)c1-c1ccccc1 ZINC000016602592 182051778 /nfs/dbraw/zinc/05/17/78/182051778.db2.gz KYUYEIMSCMPQGJ-UHFFFAOYSA-N 1 1 300.427 3.111 50 0 DGAAMO C[N@H+](Cc1c[nH]nc1-c1cc2ccccc2o1)Cc1ccncn1 ZINC000019148586 182106237 /nfs/dbraw/zinc/10/62/37/182106237.db2.gz ZTNQMSISUGQEPG-UHFFFAOYSA-N 1 1 319.368 3.245 50 0 DGAAMO C[N@@H+](Cc1c[nH]nc1-c1cc2ccccc2o1)Cc1ccncn1 ZINC000019148586 182106239 /nfs/dbraw/zinc/10/62/39/182106239.db2.gz ZTNQMSISUGQEPG-UHFFFAOYSA-N 1 1 319.368 3.245 50 0 DGAAMO Clc1ccc(CN2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000019362073 182119227 /nfs/dbraw/zinc/11/92/27/182119227.db2.gz DVNUXMDIWOWPBE-UHFFFAOYSA-N 1 1 301.821 3.053 50 0 DGAAMO O=C(C1CC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019720355 182138144 /nfs/dbraw/zinc/13/81/44/182138144.db2.gz FEOXLCSUKXTKKP-UHFFFAOYSA-N 1 1 320.436 3.330 50 0 DGAAMO Cl/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000019641194 182134059 /nfs/dbraw/zinc/13/40/59/182134059.db2.gz YREHJLZDIITKNU-MTMYEVCSSA-N 1 1 320.864 3.063 50 0 DGAAMO Cl/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000019641194 182134061 /nfs/dbraw/zinc/13/40/61/182134061.db2.gz YREHJLZDIITKNU-MTMYEVCSSA-N 1 1 320.864 3.063 50 0 DGAAMO CSc1ccccc1C(=O)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000019744064 182141830 /nfs/dbraw/zinc/14/18/30/182141830.db2.gz GQZYDBXDLWQALZ-AWEZNQCLSA-N 1 1 319.470 3.482 50 0 DGAAMO O=C(c1ccco1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019855156 182157436 /nfs/dbraw/zinc/15/74/36/182157436.db2.gz QBCCORCLNNKVEQ-UHFFFAOYSA-N 1 1 320.392 3.391 50 0 DGAAMO Clc1ccc(Cl)c(OCCCC[NH+]2CCNCC2)c1 ZINC000020118267 182189447 /nfs/dbraw/zinc/18/94/47/182189447.db2.gz RAEBDRHINKPDEM-UHFFFAOYSA-N 1 1 303.233 3.058 50 0 DGAAMO O=C(CCc1ccccc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000020472588 182221353 /nfs/dbraw/zinc/22/13/53/182221353.db2.gz DRPUPZBEEGYVAC-UHFFFAOYSA-N 1 1 322.452 3.006 50 0 DGAAMO C[C@H]1C[NH+](CCCOc2ccc(Cl)cc2C=O)C[C@H](C)O1 ZINC000020653101 182242268 /nfs/dbraw/zinc/24/22/68/182242268.db2.gz 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/nfs/dbraw/zinc/31/33/73/182313373.db2.gz TXYRQEVCKRTBJU-UHFFFAOYSA-N 1 1 320.436 3.133 50 0 DGAAMO OCC[C@@H]1CN(Cc2cccc(Cl)c2)CC[N@H+]1C1CCCC1 ZINC000022913757 182339911 /nfs/dbraw/zinc/33/99/11/182339911.db2.gz NEJMFJJXMXCEOU-GOSISDBHSA-N 1 1 322.880 3.151 50 0 DGAAMO CCC[N@H+](Cc1ccccc1)C[C@@H](O)COCc1ccco1 ZINC000036096969 182799816 /nfs/dbraw/zinc/79/98/16/182799816.db2.gz UGUHYZCVLIWZNM-QGZVFWFLSA-N 1 1 303.402 3.069 50 0 DGAAMO CC[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)Nc1cc(C)on1 ZINC000039992516 183027767 /nfs/dbraw/zinc/02/77/67/183027767.db2.gz UZTHGWOLOHEVRM-CYBMUJFWSA-N 1 1 319.430 3.383 50 0 DGAAMO C[N@@H+](CCCNC(=O)/C=C/c1ccccc1)Cc1ccccc1 ZINC000040043398 183029682 /nfs/dbraw/zinc/02/96/82/183029682.db2.gz HNXYATUDISTCJK-BUHFOSPRSA-N 1 1 308.425 3.338 50 0 DGAAMO COc1ccc(C[N@@H+](C)CCOc2ccc(F)cc2)cc1OC ZINC000040161833 183041759 /nfs/dbraw/zinc/04/17/59/183041759.db2.gz WOBNXHPIRAAWMM-UHFFFAOYSA-N 1 1 319.376 3.354 50 0 DGAAMO Cc1cc(NC(=O)CC[N@H+]2CCC[C@H]2c2ccsc2)no1 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191177273 /nfs/dbraw/zinc/17/72/73/191177273.db2.gz HEJUDSUJGZCESL-MRXNPFEDSA-N 1 1 324.472 3.317 50 0 DGAAMO CS[C@@H]1CCCC[N@H+]([C@H](C)C(=O)NCC2CCCCC2)C1 ZINC000107367205 432031230 /nfs/dbraw/zinc/03/12/30/432031230.db2.gz CXZJCADNECNSQN-GDBMZVCRSA-N 1 1 312.523 3.289 50 0 DGAAMO C[N@H+]1CCC[C@@H](CCNC(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC000067713449 432035017 /nfs/dbraw/zinc/03/50/17/432035017.db2.gz QESWZIVBWXUOHD-HNNXBMFYSA-N 1 1 311.429 3.143 50 0 DGAAMO CC/C=C(\C)C[N@H+]1CC[C@H](CNC(=O)c2cccc(O)c2C)C1 ZINC000067692779 432035201 /nfs/dbraw/zinc/03/52/01/432035201.db2.gz NBZFXECOZBDKMG-QHDPKREISA-N 1 1 316.445 3.109 50 0 DGAAMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000067691753 432035474 /nfs/dbraw/zinc/03/54/74/432035474.db2.gz XUJSGSPDFGKHIW-HNNXBMFYSA-N 1 1 309.413 3.427 50 0 DGAAMO Cc1cccnc1NC(=O)O[C@H]1CCN2Cc3ccccc3[NH+]=C12 ZINC000004000470 181061406 /nfs/dbraw/zinc/06/14/06/181061406.db2.gz COOSTMCHHFXMDB-HNNXBMFYSA-N 1 1 322.368 3.257 50 0 biogenic DGAAMO CC[C@@H]1C[N@H+]2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@@H](C)[C@H]1C[C@H]24 ZINC000004082232 181070613 /nfs/dbraw/zinc/07/06/13/181070613.db2.gz XGMPQFYSSHFZTA-VZWRSXOKSA-N 1 1 324.468 3.430 50 0 biogenic DGAAMO Cc1ccc2nc(C[NH2+][C@H](Cn3ccnc3)C(C)C)[nH]c2c1C ZINC000067725824 432037853 /nfs/dbraw/zinc/03/78/53/432037853.db2.gz MTXBBVXKJLSTKX-MRXNPFEDSA-N 1 1 311.433 3.191 50 0 DGAAMO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](C)Cc3ncccc3C)cc2c1 ZINC000067742603 432037879 /nfs/dbraw/zinc/03/78/79/432037879.db2.gz CVAKTGRNKZSHOH-UHFFFAOYSA-N 1 1 321.424 3.480 50 0 DGAAMO COc1cccc(-c2nccn2CC[C@H]2CCC[N@H+]2C)c1OC ZINC000067724938 432038490 /nfs/dbraw/zinc/03/84/90/432038490.db2.gz DJSQEOIRDZLKTH-CQSZACIVSA-N 1 1 315.417 3.052 50 0 DGAAMO C[N@@H+](CCOC(=O)c1ccc(Br)cc1)C(C)(C)C ZINC000004591276 181127894 /nfs/dbraw/zinc/12/78/94/181127894.db2.gz OHKRPKKYZQGGBO-UHFFFAOYSA-N 1 1 314.223 3.336 50 0 DGAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000067774780 432039523 /nfs/dbraw/zinc/03/95/23/432039523.db2.gz YLYVRDOZOJSKOE-CQSZACIVSA-N 1 1 324.428 3.408 50 0 DGAAMO Cc1ccc(-n2nnnc2[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000004672249 181134671 /nfs/dbraw/zinc/13/46/71/181134671.db2.gz RQOFSKJQLHJNCK-SFHVURJKSA-N 1 1 319.412 3.156 50 0 DGAAMO Cc1ccc(-n2nnnc2[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000004672248 181134730 /nfs/dbraw/zinc/13/47/30/181134730.db2.gz RQOFSKJQLHJNCK-GOSISDBHSA-N 1 1 319.412 3.156 50 0 DGAAMO CCCCc1ccc(-n2cc([C@H]3[NH2+]CCc4nc[nH]c43)cn2)cc1 ZINC000067772902 432039927 /nfs/dbraw/zinc/03/99/27/432039927.db2.gz JWDSPELETUTEMZ-GOSISDBHSA-N 1 1 321.428 3.173 50 0 DGAAMO O=C(C1CC[NH+](Cc2c(F)cccc2Cl)CC1)N1CCCC1 ZINC000004725573 181142833 /nfs/dbraw/zinc/14/28/33/181142833.db2.gz RQWYRKHDSQKEAQ-UHFFFAOYSA-N 1 1 324.827 3.314 50 0 DGAAMO CC(=O)c1cccc(OCCOCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000004868540 181166366 /nfs/dbraw/zinc/16/63/66/181166366.db2.gz ROZNLFRHJAFANH-OAHLLOKOSA-N 1 1 305.418 3.017 50 0 DGAAMO Cc1ccc(OCc2nc(C[NH2+]C[C@@H]3CCCO3)cs2)cc1 ZINC000073696964 191342530 /nfs/dbraw/zinc/34/25/30/191342530.db2.gz IFWDZTGKFMTLJZ-INIZCTEOSA-N 1 1 318.442 3.299 50 0 DGAAMO COc1ccccc1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000004989441 181185878 /nfs/dbraw/zinc/18/58/78/181185878.db2.gz DTGVDIHCYQRLEN-UHFFFAOYSA-N 1 1 310.441 3.449 50 0 DGAAMO O=C([C@@H]1CCC[N@H+](Cc2ccccc2F)C1)N1CCCCCC1 ZINC000005046999 181196291 /nfs/dbraw/zinc/19/62/91/181196291.db2.gz YNWMNHOJYFOXBK-QGZVFWFLSA-N 1 1 318.436 3.440 50 0 DGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000005345336 181232333 /nfs/dbraw/zinc/23/23/33/181232333.db2.gz JIWJUFBYJVGTGE-ZDUSSCGKSA-N 1 1 305.809 3.035 50 0 DGAAMO CC[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000170592331 432072928 /nfs/dbraw/zinc/07/29/28/432072928.db2.gz YKNZDKHEXYCJMZ-VVLHAWIVSA-N 1 1 309.498 3.184 50 0 DGAAMO COCc1nc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000195445986 201390406 /nfs/dbraw/zinc/39/04/06/201390406.db2.gz WJJCLKWFPCDWGE-CQSZACIVSA-N 1 1 320.824 3.011 50 0 DGAAMO C[C@H]1C[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000195529226 201397835 /nfs/dbraw/zinc/39/78/35/201397835.db2.gz NETOMWBLWZCCJP-RCJHGTSTSA-N 1 1 314.473 3.437 50 0 DGAAMO COc1cccc(C=O)c1OCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000006701184 181372919 /nfs/dbraw/zinc/37/29/19/181372919.db2.gz LCDJDLFCHXQJNR-GASCZTMLSA-N 1 1 305.418 3.255 50 0 DGAAMO Fc1cccnc1N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000091575521 193074816 /nfs/dbraw/zinc/07/48/16/193074816.db2.gz WWSLRVJKIZDUOU-IAGOWNOFSA-N 1 1 311.404 3.322 50 0 DGAAMO c1csc(CC[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000091631261 193082601 /nfs/dbraw/zinc/08/26/01/193082601.db2.gz KNIHWXYNFNAKDD-ZDUSSCGKSA-N 1 1 302.447 3.097 50 0 DGAAMO CCCN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(-n3cccn3)cc1)C2 ZINC000091847806 193117150 /nfs/dbraw/zinc/11/71/50/193117150.db2.gz OVAOIAXMYRFXEZ-AZUAARDMSA-N 1 1 324.472 3.179 50 0 DGAAMO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc(-n3cccn3)cc1)C2 ZINC000091847806 193117151 /nfs/dbraw/zinc/11/71/51/193117151.db2.gz OVAOIAXMYRFXEZ-AZUAARDMSA-N 1 1 324.472 3.179 50 0 DGAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc(-n3cccn3)cc1)C2 ZINC000091847806 193117154 /nfs/dbraw/zinc/11/71/54/193117154.db2.gz OVAOIAXMYRFXEZ-AZUAARDMSA-N 1 1 324.472 3.179 50 0 DGAAMO COCCC[C@@]1(CO)CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000091846025 193117395 /nfs/dbraw/zinc/11/73/95/193117395.db2.gz PQXYDISDEZIBGV-GSXXRBPTSA-N 1 1 303.446 3.201 50 0 DGAAMO CCC[C@]1(CO)CCC[N@@H+](Cc2cnc(N3CCCC3)s2)C1 ZINC000091859179 193119069 /nfs/dbraw/zinc/11/90/69/193119069.db2.gz PPADWOOZZCYSOS-KRWDZBQOSA-N 1 1 323.506 3.118 50 0 DGAAMO CCOc1ccc2nc(C[N@H+]3CCC[C@@H](COC)C3)ccc2c1 ZINC000215805526 201470796 /nfs/dbraw/zinc/47/07/96/201470796.db2.gz RBBSYKPXWZGHPF-OAHLLOKOSA-N 1 1 314.429 3.492 50 0 DGAAMO CC(=O)N1CC[C@H](C[N@H+](C)[C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000249786135 202815588 /nfs/dbraw/zinc/81/55/88/202815588.db2.gz MELNFCCFLNXFLW-YZGWKJHDSA-N 1 1 314.473 3.297 50 0 DGAAMO CCCn1nc(C)c(CN(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1C ZINC000093638679 193278815 /nfs/dbraw/zinc/27/88/15/193278815.db2.gz LTWQWLLWMVYUCR-KBXCAEBGSA-N 1 1 306.498 3.072 50 0 DGAAMO O=C1CCCCN1C1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000093741794 193298882 /nfs/dbraw/zinc/29/88/82/193298882.db2.gz JTZKVXGKKRRSRV-UHFFFAOYSA-N 1 1 324.827 3.456 50 0 DGAAMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](Oc3ccncc3)C2)o1 ZINC000093865771 193320641 /nfs/dbraw/zinc/32/06/41/193320641.db2.gz WLQBNIWMLYDDQV-INIZCTEOSA-N 1 1 324.384 3.026 50 0 DGAAMO Cc1ccccc1C[NH+]1CCN(C(=O)NCc2ccccc2)CC1 ZINC000012881616 181807175 /nfs/dbraw/zinc/80/71/75/181807175.db2.gz MCYRJLLWNFEEJV-UHFFFAOYSA-N 1 1 323.440 3.022 50 0 DGAAMO C[C@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ccccc1Cl ZINC000015481821 182004498 /nfs/dbraw/zinc/00/44/98/182004498.db2.gz ZFDUATMFNNQLMJ-LBPRGKRZSA-N 1 1 313.788 3.199 50 0 DGAAMO Cc1cc(Cl)ccc1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000015769583 182015503 /nfs/dbraw/zinc/01/55/03/182015503.db2.gz DRXRUVQLXZXXEM-UHFFFAOYSA-N 1 1 319.792 3.485 50 0 DGAAMO CCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCC1)n2CC ZINC000016661343 182056801 /nfs/dbraw/zinc/05/68/01/182056801.db2.gz KALDVIFBOOKZID-UHFFFAOYSA-N 1 1 314.433 3.391 50 0 DGAAMO Cc1cccc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019923731 182165070 /nfs/dbraw/zinc/16/50/70/182165070.db2.gz DVLRECMMOUCAFS-UHFFFAOYSA-N 1 1 309.413 3.345 50 0 DGAAMO CCCCn1c2ccccc2n(C[C@@H](O)c2ccccc2)c1=[NH2+] ZINC000019854798 182157202 /nfs/dbraw/zinc/15/72/02/182157202.db2.gz IAHKTJGHECZFPP-GOSISDBHSA-N 1 1 309.413 3.456 50 0 DGAAMO CCCCn1c2ccccc2n(C[C@H](O)c2ccccc2)c1=[NH2+] ZINC000019854800 182157670 /nfs/dbraw/zinc/15/76/70/182157670.db2.gz IAHKTJGHECZFPP-SFHVURJKSA-N 1 1 309.413 3.456 50 0 DGAAMO Cc1[nH+]ccn1CCNC(=O)C(c1ccccc1)c1ccccc1 ZINC000019867652 182158592 /nfs/dbraw/zinc/15/85/92/182158592.db2.gz LGGMNLRNXKPWCN-UHFFFAOYSA-N 1 1 319.408 3.140 50 0 DGAAMO Cc1cc(C[NH+]2CCC(Cc3ccccc3F)CC2)nn1C ZINC000020389951 182213700 /nfs/dbraw/zinc/21/37/00/182213700.db2.gz KAIDFQGTKBTCIK-UHFFFAOYSA-N 1 1 301.409 3.322 50 0 DGAAMO Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000020367223 182211978 /nfs/dbraw/zinc/21/19/78/182211978.db2.gz LLYVPZUUKJWZGK-UHFFFAOYSA-N 1 1 308.425 3.261 50 0 DGAAMO C[C@]1(CO)CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000020536290 182227619 /nfs/dbraw/zinc/22/76/19/182227619.db2.gz LMUGKPQKXNIZEE-HNNXBMFYSA-N 1 1 301.352 3.342 50 0 DGAAMO CCCCOc1ccc(OCCCCN2CC[NH+](C)CC2)cc1 ZINC000020639621 182241385 /nfs/dbraw/zinc/24/13/85/182241385.db2.gz ZEJFHEKJIOHIPG-UHFFFAOYSA-N 1 1 320.477 3.272 50 0 DGAAMO CCCCOc1ccccc1OCCCCN1CC[NH+](C)CC1 ZINC000020652633 182241491 /nfs/dbraw/zinc/24/14/91/182241491.db2.gz WVPVLMIGOVKJEV-UHFFFAOYSA-N 1 1 320.477 3.272 50 0 DGAAMO Fc1ccc(C[C@@H]2C[N@H+](C3Cc4ccccc4C3)CCO2)cc1 ZINC000020598369 182236227 /nfs/dbraw/zinc/23/62/27/182236227.db2.gz FTQBXWKQEBLEJZ-HXUWFJFHSA-N 1 1 311.400 3.236 50 0 DGAAMO COc1ccccc1-c1noc([C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000020908600 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/nfs/dbraw/zinc/28/82/28/431288228.db2.gz IIRTZVFMGJEDKY-SFHVURJKSA-N 1 1 318.436 3.295 50 0 DGAAMO CCOC(=O)[C@H]1CCC[N@H+](Cn2c3ccccc3oc2=S)C1 ZINC000003244592 431290380 /nfs/dbraw/zinc/29/03/80/431290380.db2.gz DMEXGKUYFNFLMR-LBPRGKRZSA-N 1 1 320.414 3.196 50 0 DGAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cn2c3ccccc3oc2=S)C1 ZINC000003244592 431290386 /nfs/dbraw/zinc/29/03/86/431290386.db2.gz DMEXGKUYFNFLMR-LBPRGKRZSA-N 1 1 320.414 3.196 50 0 DGAAMO CS(=O)(=O)CC[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000071824914 431294832 /nfs/dbraw/zinc/29/48/32/431294832.db2.gz JRZCZOGNJRLLJB-KRWDZBQOSA-N 1 1 303.427 3.021 50 0 DGAAMO CC1CCC(c2nnnn2-c2ccc(Cl)cc2)([NH+](C)C)CC1 ZINC000004598760 431301358 /nfs/dbraw/zinc/30/13/58/431301358.db2.gz PJZAJNUBOZLQSC-UHFFFAOYSA-N 1 1 319.840 3.283 50 0 DGAAMO C[NH+](C)C1(c2nnnn2-c2cccc(Cl)c2)CCCCC1 ZINC000004491681 431301594 /nfs/dbraw/zinc/30/15/94/431301594.db2.gz VHMPRERYHHNAQU-UHFFFAOYSA-N 1 1 305.813 3.037 50 0 DGAAMO c1cnn(C[C@H]2CCC[N@H+]2Cc2cc(-c3ccccc3)no2)c1 ZINC000071875583 431304679 /nfs/dbraw/zinc/30/46/79/431304679.db2.gz FJXPNWXTWPKZOS-MRXNPFEDSA-N 1 1 308.385 3.203 50 0 DGAAMO CC(C)(C)c1cnc(C[N@@H+]2CCCC[C@@H]2Cn2cccn2)o1 ZINC000071875263 431304948 /nfs/dbraw/zinc/30/49/48/431304948.db2.gz QEEIAJVMXZYCNB-CQSZACIVSA-N 1 1 302.422 3.223 50 0 DGAAMO CC(C)(C)c1cnc(C[N@H+]2CCCC[C@@H]2Cn2cccn2)o1 ZINC000071875263 431304955 /nfs/dbraw/zinc/30/49/55/431304955.db2.gz QEEIAJVMXZYCNB-CQSZACIVSA-N 1 1 302.422 3.223 50 0 DGAAMO C[NH+](C)C(C)(C)CNCc1ccc(OCc2ccncc2)cc1 ZINC000071895958 431311307 /nfs/dbraw/zinc/31/13/07/431311307.db2.gz XJJAPWGLNKIPAE-UHFFFAOYSA-N 1 1 313.445 3.090 50 0 DGAAMO COc1cccc(C[N@H+](C)CC(=O)Nc2cc(C)cc(C)c2)c1 ZINC000002651630 431261845 /nfs/dbraw/zinc/26/18/45/431261845.db2.gz FKRGPVZGAGULCB-UHFFFAOYSA-N 1 1 312.413 3.383 50 0 DGAAMO COc1cccc(C[N@@H+](C)CC(=O)Nc2cc(C)cc(C)c2)c1 ZINC000002651630 431261852 /nfs/dbraw/zinc/26/18/52/431261852.db2.gz FKRGPVZGAGULCB-UHFFFAOYSA-N 1 1 312.413 3.383 50 0 DGAAMO C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCCc2ccccc21 ZINC000007327940 431341690 /nfs/dbraw/zinc/34/16/90/431341690.db2.gz ABGVXINTRYYIJC-GOSISDBHSA-N 1 1 319.408 3.433 50 0 DGAAMO C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCCc2ccccc21 ZINC000007327940 431341697 /nfs/dbraw/zinc/34/16/97/431341697.db2.gz ABGVXINTRYYIJC-GOSISDBHSA-N 1 1 319.408 3.433 50 0 DGAAMO COc1cccc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(F)cc2)c1 ZINC000007457634 431351213 /nfs/dbraw/zinc/35/12/13/431351213.db2.gz FZWPPGWJAJTSQG-CYBMUJFWSA-N 1 1 316.376 3.466 50 0 DGAAMO COc1cccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(F)cc2)c1 ZINC000007457634 431351222 /nfs/dbraw/zinc/35/12/22/431351222.db2.gz FZWPPGWJAJTSQG-CYBMUJFWSA-N 1 1 316.376 3.466 50 0 DGAAMO C[N@H+](CC(=O)NCc1ccccc1)Cc1cccc(Cl)c1 ZINC000008120013 431382069 /nfs/dbraw/zinc/38/20/69/431382069.db2.gz PSUQUYTXOKGIPJ-UHFFFAOYSA-N 1 1 302.805 3.088 50 0 DGAAMO C[N@@H+](CC(=O)NCc1ccccc1)Cc1cccc(Cl)c1 ZINC000008120013 431382078 /nfs/dbraw/zinc/38/20/78/431382078.db2.gz PSUQUYTXOKGIPJ-UHFFFAOYSA-N 1 1 302.805 3.088 50 0 DGAAMO COc1cccc(NC(=O)C[N@H+](C)Cc2sccc2C)c1 ZINC000008309817 431392048 /nfs/dbraw/zinc/39/20/48/431392048.db2.gz PSZRJRPYGPGMTO-UHFFFAOYSA-N 1 1 304.415 3.136 50 0 DGAAMO COc1cccc(NC(=O)C[N@@H+](C)Cc2sccc2C)c1 ZINC000008309817 431392055 /nfs/dbraw/zinc/39/20/55/431392055.db2.gz PSZRJRPYGPGMTO-UHFFFAOYSA-N 1 1 304.415 3.136 50 0 DGAAMO COc1ccc(NC(=O)C[N@H+](C)Cc2sccc2C)cc1 ZINC000008309835 431392415 /nfs/dbraw/zinc/39/24/15/431392415.db2.gz JCVFIWPSFPVDFF-UHFFFAOYSA-N 1 1 304.415 3.136 50 0 DGAAMO COc1ccc(NC(=O)C[N@@H+](C)Cc2sccc2C)cc1 ZINC000008309835 431392423 /nfs/dbraw/zinc/39/24/23/431392423.db2.gz JCVFIWPSFPVDFF-UHFFFAOYSA-N 1 1 304.415 3.136 50 0 DGAAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2n1C ZINC000075132487 431454661 /nfs/dbraw/zinc/45/46/61/431454661.db2.gz OTTFVFBBIAXGPH-KRWDZBQOSA-N 1 1 323.444 3.261 50 0 DGAAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1nc2ccccc2n1C ZINC000075132487 431454669 /nfs/dbraw/zinc/45/46/69/431454669.db2.gz OTTFVFBBIAXGPH-KRWDZBQOSA-N 1 1 323.444 3.261 50 0 DGAAMO C[C@H](c1ccccc1)[N@H+](C)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000009387762 431432786 /nfs/dbraw/zinc/43/27/86/431432786.db2.gz WUGWHFMDXOPEDI-CYBMUJFWSA-N 1 1 312.369 3.047 50 0 DGAAMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000009387762 431432793 /nfs/dbraw/zinc/43/27/93/431432793.db2.gz WUGWHFMDXOPEDI-CYBMUJFWSA-N 1 1 312.369 3.047 50 0 DGAAMO Cc1cccc(C(=O)N[C@H]2CCC[N@H+](C3CCCCCC3)C2)n1 ZINC000012589456 431518695 /nfs/dbraw/zinc/51/86/95/431518695.db2.gz ATEOYJCUIPXQHM-INIZCTEOSA-N 1 1 315.461 3.307 50 0 DGAAMO C[NH+](C)[C@H](CNC(=O)Nc1cccc(Cl)c1)c1ccco1 ZINC000012875479 431532975 /nfs/dbraw/zinc/53/29/75/431532975.db2.gz XQGCLHUGKKUICO-CYBMUJFWSA-N 1 1 307.781 3.357 50 0 DGAAMO CNC(=O)c1ccc(C[N@@H+]2C[C@H](C)OC[C@H]2c2ccccc2)cc1 ZINC000076148519 431531642 /nfs/dbraw/zinc/53/16/42/431531642.db2.gz RJGHMLRYURBUBX-KXBFYZLASA-N 1 1 324.424 3.008 50 0 DGAAMO CNC(=O)c1ccc(C[N@H+]2C[C@H](C)OC[C@H]2c2ccccc2)cc1 ZINC000076148519 431531647 /nfs/dbraw/zinc/53/16/47/431531647.db2.gz RJGHMLRYURBUBX-KXBFYZLASA-N 1 1 324.424 3.008 50 0 DGAAMO CSCCC[N@H+]1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1 ZINC000011932713 431488098 /nfs/dbraw/zinc/48/80/98/431488098.db2.gz PDKIEUSEGOLWGD-CQSZACIVSA-N 1 1 324.465 3.021 50 0 DGAAMO Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cn1 ZINC000012076518 431489941 /nfs/dbraw/zinc/48/99/41/431489941.db2.gz GAXUVCKIYNABLT-LJQANCHMSA-N 1 1 323.440 3.127 50 0 DGAAMO O=C(CC[C@H]1CCC[N@H+](Cc2ccccc2F)C1)NC1CC1 ZINC000012074505 431490848 /nfs/dbraw/zinc/49/08/48/431490848.db2.gz ULWULBAYRVFOBV-CQSZACIVSA-N 1 1 304.409 3.097 50 0 DGAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](OC)C3)c(C)o2)cc1 ZINC000012025619 431491965 /nfs/dbraw/zinc/49/19/65/431491965.db2.gz GSGFCEZJIAVIJK-MRXNPFEDSA-N 1 1 316.401 3.269 50 0 DGAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](OC)C3)c(C)o2)cc1 ZINC000012025619 431491969 /nfs/dbraw/zinc/49/19/69/431491969.db2.gz 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C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000025447714 431657256 /nfs/dbraw/zinc/65/72/56/431657256.db2.gz DCDUXUASWBJUNR-INIZCTEOSA-N 1 1 312.457 3.440 50 0 DGAAMO C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000025447714 431657259 /nfs/dbraw/zinc/65/72/59/431657259.db2.gz DCDUXUASWBJUNR-INIZCTEOSA-N 1 1 312.457 3.440 50 0 DGAAMO CC[NH+]1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000019527815 431617662 /nfs/dbraw/zinc/61/76/62/431617662.db2.gz MCJCBOMWMSTZSE-UHFFFAOYSA-N 1 1 322.408 3.088 50 0 DGAAMO OC[C@H]1CCC[N@@H+]1Cc1cc(Br)ccc1Cl ZINC000078674414 431694169 /nfs/dbraw/zinc/69/41/69/431694169.db2.gz AJGOGLQZDIMCOQ-LLVKDONJSA-N 1 1 304.615 3.059 50 0 DGAAMO OC[C@H]1CCC[N@H+]1Cc1cc(Br)ccc1Cl ZINC000078674414 431694173 /nfs/dbraw/zinc/69/41/73/431694173.db2.gz AJGOGLQZDIMCOQ-LLVKDONJSA-N 1 1 304.615 3.059 50 0 DGAAMO Cc1oc(-c2cccs2)nc1C[NH+]1CCC2(CC1)OCCO2 ZINC000028079138 431701060 /nfs/dbraw/zinc/70/10/60/431701060.db2.gz FUPNGZXWQNETDV-UHFFFAOYSA-N 1 1 320.414 3.050 50 0 DGAAMO C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000028901311 431711090 /nfs/dbraw/zinc/71/10/90/431711090.db2.gz MZWVSIAVHFZKNN-INIZCTEOSA-N 1 1 320.436 3.413 50 0 DGAAMO C[C@H]1CCc2ccccc2N1C(=O)C[N@H+]1CCc2ccccc2C1 ZINC000028901311 431711095 /nfs/dbraw/zinc/71/10/95/431711095.db2.gz MZWVSIAVHFZKNN-INIZCTEOSA-N 1 1 320.436 3.413 50 0 DGAAMO Cc1cc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)on1 ZINC000079503100 431728185 /nfs/dbraw/zinc/72/81/85/431728185.db2.gz GXVXAZWDRIFVAS-KRWDZBQOSA-N 1 1 300.402 3.207 50 0 DGAAMO CCC[NH+]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000032719013 431788918 /nfs/dbraw/zinc/78/89/18/431788918.db2.gz HJUNUDVICSMKBW-UHFFFAOYSA-N 1 1 316.376 3.254 50 0 DGAAMO Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)on1 ZINC000032769011 431790643 /nfs/dbraw/zinc/79/06/43/431790643.db2.gz KGEJTZYLTGCFEN-OAHLLOKOSA-N 1 1 300.358 3.091 50 0 DGAAMO Cc1cc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)on1 ZINC000032769011 431790648 /nfs/dbraw/zinc/79/06/48/431790648.db2.gz 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CC(C)Cn1c2ccccc2nc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](O)C2 ZINC000828873963 1091848501 /nfs/dbraw/zinc/84/85/01/1091848501.db2.gz RKDYIJACOWXCFG-ZSHCYNCHSA-N 1 1 313.445 3.180 50 0 DGAAMO Cc1cnc(-c2ccncc2)n1C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000575547540 1092047029 /nfs/dbraw/zinc/04/70/29/1092047029.db2.gz IAYBDSPTTULNBE-KRWDZBQOSA-N 1 1 310.445 3.376 50 0 DGAAMO CC(=O)N1CCC[C@@H](Cc2[nH+]cc(C)n2Cc2ccccc2)C1 ZINC000581816954 1092283440 /nfs/dbraw/zinc/28/34/40/1092283440.db2.gz UFWOREHZBBSOJG-SFHVURJKSA-N 1 1 311.429 3.041 50 0 DGAAMO Cc1c[nH+]c(CCNC(=O)Nc2ccccc2F)n1C1CC1 ZINC000581816093 1092283533 /nfs/dbraw/zinc/28/35/33/1092283533.db2.gz YJRPDNNSSDNFOF-UHFFFAOYSA-N 1 1 302.353 3.030 50 0 DGAAMO CC(=O)N1CCC[C@H](Cc2[nH+]cc(C)n2Cc2ccccc2)C1 ZINC000581816953 1092283773 /nfs/dbraw/zinc/28/37/73/1092283773.db2.gz UFWOREHZBBSOJG-GOSISDBHSA-N 1 1 311.429 3.041 50 0 DGAAMO CCCn1c(C)c[nH+]c1C[C@@H]1CCCN(C(=O)N(CC)CC)C1 ZINC000581816607 1092283870 /nfs/dbraw/zinc/28/38/70/1092283870.db2.gz 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ZINC000585133254 1095033447 /nfs/dbraw/zinc/03/34/47/1095033447.db2.gz CKFQTSIVMJPSKT-GFCCVEGCSA-N 1 1 314.776 3.240 50 0 DGAAMO c1cc2cc(C[N@H+]3C[C@@H]4CC[C@H](C3)N(CC3CC3)C4)ccc2[nH]1 ZINC000095496728 185374211 /nfs/dbraw/zinc/37/42/11/185374211.db2.gz BTTHHXPLCUOMCM-PKOBYXMFSA-N 1 1 309.457 3.474 50 0 DGAAMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)cc1C ZINC000095512231 185376402 /nfs/dbraw/zinc/37/64/02/185376402.db2.gz ZCKLKVOFSCFQBY-RBUKOAKNSA-N 1 1 314.473 3.310 50 0 DGAAMO COc1ccc(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)cc1C ZINC000095512231 185376403 /nfs/dbraw/zinc/37/64/03/185376403.db2.gz ZCKLKVOFSCFQBY-RBUKOAKNSA-N 1 1 314.473 3.310 50 0 DGAAMO COc1ccc(CN2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)cc1C ZINC000095512231 185376404 /nfs/dbraw/zinc/37/64/04/185376404.db2.gz ZCKLKVOFSCFQBY-RBUKOAKNSA-N 1 1 314.473 3.310 50 0 DGAAMO Cc1nn(C)c2nc(NCCC[N@@H+](C)C3CCCC3)sc12 ZINC000095527024 185378233 /nfs/dbraw/zinc/37/82/33/185378233.db2.gz RWIWZVDHCHWMAQ-UHFFFAOYSA-N 1 1 307.467 3.015 50 0 DGAAMO COc1cccc(CNC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000078912984 185127614 /nfs/dbraw/zinc/12/76/14/185127614.db2.gz NONHWWGHXKKTES-UHFFFAOYSA-N 1 1 324.468 3.492 50 0 DGAAMO C[C@@H](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000078952280 185134239 /nfs/dbraw/zinc/13/42/39/185134239.db2.gz PLHDCGLDOZTBEA-JQHSSLGASA-N 1 1 315.461 3.058 50 0 DGAAMO Clc1ccc2c(c1)[nH+]ccc2N1CCC(n2cncn2)CC1 ZINC000078987979 185141024 /nfs/dbraw/zinc/14/10/24/185141024.db2.gz JLKGVKPZGCRMRY-UHFFFAOYSA-N 1 1 313.792 3.321 50 0 DGAAMO CN(Cc1ccco1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278743482 214370096 /nfs/dbraw/zinc/37/00/96/214370096.db2.gz WOIULKTVVJMHFN-IBGZPJMESA-N 1 1 314.429 3.003 50 0 DGAAMO COc1cc(OC)cc([C@@H]2CC[N@@H+](CCC(F)(F)F)C2)c1 ZINC000083403331 185222227 /nfs/dbraw/zinc/22/22/27/185222227.db2.gz CIDLQWNUFBMMBR-LLVKDONJSA-N 1 1 303.324 3.446 50 0 DGAAMO Cc1occc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000089996890 185275608 /nfs/dbraw/zinc/27/56/08/185275608.db2.gz 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CS(=O)(=O)CCC[N@H+]1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000104273073 432016387 /nfs/dbraw/zinc/01/63/87/432016387.db2.gz NKOYBCRXVPGQSA-MENFKHAKSA-N 1 1 321.486 3.379 50 0 DGAAMO Cc1sc2[nH]c([C@@H](C)[NH+]3CCC(C)CC3)nc(=O)c2c1C ZINC000008424853 282485292 /nfs/dbraw/zinc/48/52/92/282485292.db2.gz YKRCUJGBSJDNLL-LLVKDONJSA-N 1 1 305.447 3.394 50 0 DGAAMO CSc1ccc(-c2nc(C[NH+]3CCC(O)CC3)c(C)o2)cc1 ZINC000071753433 191023286 /nfs/dbraw/zinc/02/32/86/191023286.db2.gz MBWIZLLDDJEPHB-UHFFFAOYSA-N 1 1 318.442 3.329 50 0 DGAAMO CCC[N@H+]1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072144318 191050926 /nfs/dbraw/zinc/05/09/26/191050926.db2.gz OMBXWIDSSJSQQT-RCCFBDPRSA-N 1 1 306.400 3.237 50 0 DGAAMO CCNc1ncc(C[N@@H+](C)Cc2cccc3ncccc23)cn1 ZINC000072149081 191054048 /nfs/dbraw/zinc/05/40/48/191054048.db2.gz PMORFAGZBGUFOT-UHFFFAOYSA-N 1 1 307.401 3.089 50 0 DGAAMO Cc1cc(C)n([C@H]2CC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)n1 ZINC000072151963 191057784 /nfs/dbraw/zinc/05/77/84/191057784.db2.gz 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CCc1ccc(-c2nccn2Cc2c[nH+]cn2CC(C)C)nc1 ZINC000072440480 191167677 /nfs/dbraw/zinc/16/76/77/191167677.db2.gz LJQYHRYJQMGQHV-UHFFFAOYSA-N 1 1 309.417 3.408 50 0 DGAAMO c1ccc(CC[N@H+]2CCC[C@]3(CCN(c4cnccn4)C3)C2)cc1 ZINC000072457805 191173468 /nfs/dbraw/zinc/17/34/68/191173468.db2.gz MJARCHJGKJTGEY-FQEVSTJZSA-N 1 1 322.456 3.012 50 0 DGAAMO Nc1nc(N2CCC[C@H](CCc3ccc(F)c(F)c3)C2)cc[nH+]1 ZINC000072472853 191175191 /nfs/dbraw/zinc/17/51/91/191175191.db2.gz VPAANPBBSGZASV-CYBMUJFWSA-N 1 1 318.371 3.186 50 0 DGAAMO CC[C@](C)([NH2+]CC(=O)NCc1sccc1C)c1nccs1 ZINC000072684211 191215108 /nfs/dbraw/zinc/21/51/08/191215108.db2.gz FKXOKEOFUXJNBL-HNNXBMFYSA-N 1 1 323.487 3.044 50 0 DGAAMO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000000448462 180794569 /nfs/dbraw/zinc/79/45/69/180794569.db2.gz OMAHUFXJRWCFJB-LJQANCHMSA-N 1 1 311.425 3.101 50 0 DGAAMO CSc1ccccc1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000003340448 181008680 /nfs/dbraw/zinc/00/86/80/181008680.db2.gz NJKFWJPMPFXJQC-CYBMUJFWSA-N 1 1 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/nfs/dbraw/zinc/49/81/76/431498176.db2.gz HHIRCSRLZHXASI-LJQANCHMSA-N 1 1 314.473 3.342 50 0 DGAAMO Cc1ccccc1CN1CC[N@@H+](Cc2ccccc2)CCC1=O ZINC000012244388 431501155 /nfs/dbraw/zinc/50/11/55/431501155.db2.gz SXICGWGVFVZWAJ-UHFFFAOYSA-N 1 1 308.425 3.230 50 0 DGAAMO Cc1c(C)n(C[C@@H](O)Cn2cc[nH+]c2C)c2c1cccc2Cl ZINC000012421919 431506019 /nfs/dbraw/zinc/50/60/19/431506019.db2.gz MOKAOEXRKLOEBX-AWEZNQCLSA-N 1 1 317.820 3.478 50 0 DGAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)COC23CC4CC(CC(C4)C2)C3)C1 ZINC000012414174 431506556 /nfs/dbraw/zinc/50/65/56/431506556.db2.gz VPFMQNLGAWHOPI-HYCCEDHASA-N 1 1 321.505 3.311 50 0 DGAAMO COc1ccc(-c2nc(C[N@H+](C)[C@@H]3CCOC3)c(C)o2)cc1C ZINC000012438896 431510461 /nfs/dbraw/zinc/51/04/61/431510461.db2.gz OFEOJQHGLKFLCO-OAHLLOKOSA-N 1 1 316.401 3.188 50 0 DGAAMO COc1ccc(-c2nc(C[N@@H+](C)[C@@H]3CCOC3)c(C)o2)cc1C ZINC000012438896 431510466 /nfs/dbraw/zinc/51/04/66/431510466.db2.gz OFEOJQHGLKFLCO-OAHLLOKOSA-N 1 1 316.401 3.188 50 0 DGAAMO C[C@@H](C(=O)Nc1ncccn1)[N@@H+](C)Cc1cccc2ccccc21 ZINC000077169536 431570824 /nfs/dbraw/zinc/57/08/24/431570824.db2.gz GJLHZSJENLZLLN-AWEZNQCLSA-N 1 1 320.396 3.089 50 0 DGAAMO Oc1cccc(C[N@H+](Cc2cccnc2)C2CCC(O)CC2)c1 ZINC000077175883 431571315 /nfs/dbraw/zinc/57/13/15/431571315.db2.gz RPZIBOMPXFADNH-UHFFFAOYSA-N 1 1 312.413 3.093 50 0 DGAAMO Cc1c(F)cccc1C[N@@H+](C)C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000216444978 280237641 /nfs/dbraw/zinc/23/76/41/280237641.db2.gz MTJNDGCKUIOEEG-CQSZACIVSA-N 1 1 306.425 3.213 50 0 DGAAMO COc1cc(-c2nc(C[N@@H+](CCO)C(C)C)c(C)o2)ccc1F ZINC000014950342 431597316 /nfs/dbraw/zinc/59/73/16/431597316.db2.gz FZDNGFIOSKZELC-UHFFFAOYSA-N 1 1 322.380 3.000 50 0 DGAAMO COc1ccc(C[C@@H]2C[N@H+](Cc3ccsc3)CCO2)cc1 ZINC000015075701 431600334 /nfs/dbraw/zinc/60/03/34/431600334.db2.gz KCPYPOUZOLUUPQ-QGZVFWFLSA-N 1 1 303.427 3.200 50 0 DGAAMO COc1ccc(C[C@@H]2C[N@@H+](Cc3ccsc3)CCO2)cc1 ZINC000015075701 431600340 /nfs/dbraw/zinc/60/03/40/431600340.db2.gz KCPYPOUZOLUUPQ-QGZVFWFLSA-N 1 1 303.427 3.200 50 0 DGAAMO COc1ccc(C[C@H]2C[N@H+](Cc3ccsc3)CCO2)cc1 ZINC000015075702 431602106 /nfs/dbraw/zinc/60/21/06/431602106.db2.gz KCPYPOUZOLUUPQ-KRWDZBQOSA-N 1 1 303.427 3.200 50 0 DGAAMO COc1ccc(C[C@H]2C[N@@H+](Cc3ccsc3)CCO2)cc1 ZINC000015075702 431602112 /nfs/dbraw/zinc/60/21/12/431602112.db2.gz KCPYPOUZOLUUPQ-KRWDZBQOSA-N 1 1 303.427 3.200 50 0 DGAAMO OC[C@H]1COCC[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000077538901 431604027 /nfs/dbraw/zinc/60/40/27/431604027.db2.gz XWEPFZZCBZXEOF-ZDUSSCGKSA-N 1 1 321.804 3.041 50 0 DGAAMO CSc1ccccc1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000077519520 431604433 /nfs/dbraw/zinc/60/44/33/431604433.db2.gz DWCCVWBRNRONTA-UHFFFAOYSA-N 1 1 318.486 3.499 50 0 DGAAMO c1cc2c(nc[nH+]c2N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)[nH]1 ZINC000077353252 431584091 /nfs/dbraw/zinc/58/40/91/431584091.db2.gz SZBSSTJENSEGKA-GFCCVEGCSA-N 1 1 318.384 3.218 50 0 DGAAMO Cc1ccc([C@@H]2C[N@@H+](CC3CCC3)C[C@H]2NC(=O)C2CC2)cc1 ZINC000077356275 431586684 /nfs/dbraw/zinc/58/66/84/431586684.db2.gz ZCGJTTDAXZAAAL-RBUKOAKNSA-N 1 1 312.457 3.089 50 0 DGAAMO C[C@@H]1CCCC[N@H+]1C1CN(c2ccc(-c3ccccc3)nn2)C1 ZINC000077358003 431587384 /nfs/dbraw/zinc/58/73/84/431587384.db2.gz LSCVOYNFBIRFIT-OAHLLOKOSA-N 1 1 308.429 3.207 50 0 DGAAMO COc1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3C)n2)cc1OC ZINC000015261462 431607815 /nfs/dbraw/zinc/60/78/15/431607815.db2.gz VDRAAVRMGDNODN-LBPRGKRZSA-N 1 1 317.389 3.128 50 0 DGAAMO Cc1ccc(OCC[N@H+](C)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000015565649 431610685 /nfs/dbraw/zinc/61/06/85/431610685.db2.gz BMZWKWHMLKIHQV-INIZCTEOSA-N 1 1 318.461 3.143 50 0 DGAAMO Clc1ccc2nc(C[NH2+][C@@H]3COc4ccccc4C3)[nH]c2c1 ZINC000019229097 431620354 /nfs/dbraw/zinc/62/03/54/431620354.db2.gz QFDLCVHEZXJALY-ZDUSSCGKSA-N 1 1 313.788 3.310 50 0 DGAAMO CC[N@@H+](C)[C@H](C(=O)N(C)Cc1csc(C)n1)c1ccccc1 ZINC000078402379 431666601 /nfs/dbraw/zinc/66/66/01/431666601.db2.gz OPNIBWOZWVBYQX-INIZCTEOSA-N 1 1 317.458 3.103 50 0 DGAAMO C[C@H]([N@@H+](C)Cc1cc(=O)n2cc(Cl)ccc2n1)C(C)(C)C ZINC000027135906 431684379 /nfs/dbraw/zinc/68/43/79/431684379.db2.gz ZJBMJEPKEFQVGF-NSHDSACASA-N 1 1 307.825 3.214 50 0 DGAAMO CCc1cnc(CN(C)[C@H]2CC[N@@H+](CCc3cccs3)C2)o1 ZINC000078891844 431711203 /nfs/dbraw/zinc/71/12/03/431711203.db2.gz FSDOIUNAMSGLOW-AWEZNQCLSA-N 1 1 319.474 3.047 50 0 DGAAMO COc1cccc(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)c1 ZINC000029482453 431723688 /nfs/dbraw/zinc/72/36/88/431723688.db2.gz VKPVYMWKNYZGGR-GOSISDBHSA-N 1 1 310.397 3.253 50 0 DGAAMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1ccccn1 ZINC000029635111 431724027 /nfs/dbraw/zinc/72/40/27/431724027.db2.gz RQDSDZQWQLSVIR-UHFFFAOYSA-N 1 1 316.430 3.166 50 0 DGAAMO O=C(/C=C/c1cccc(F)c1)NCC[N@H+]1CCc2ccccc2C1 ZINC000030363229 431738169 /nfs/dbraw/zinc/73/81/69/431738169.db2.gz QXKHPOVHRKQFCU-CMDGGOBGSA-N 1 1 324.399 3.013 50 0 DGAAMO Cc1ccc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1C ZINC000032817043 431792906 /nfs/dbraw/zinc/79/29/06/431792906.db2.gz QEWROFVIWKQHBJ-UHFFFAOYSA-N 1 1 322.452 3.482 50 0 DGAAMO C[N@@H+](CCC(=O)Nc1ccnn1C1CCCC1)Cc1ccco1 ZINC000032870803 431796774 /nfs/dbraw/zinc/79/67/74/431796774.db2.gz HUGPFSAXCNLNMP-UHFFFAOYSA-N 1 1 316.405 3.052 50 0 DGAAMO CC[N@H+]1CCC[C@H](OC(=O)c2ccc(Br)cc2)C1 ZINC000032962583 431803492 /nfs/dbraw/zinc/80/34/92/431803492.db2.gz REHKIFLZEBUJET-ZDUSSCGKSA-N 1 1 312.207 3.090 50 0 DGAAMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC2 ZINC000034401723 431818550 /nfs/dbraw/zinc/81/85/50/431818550.db2.gz UCBLMUMETZZNIZ-OAHLLOKOSA-N 1 1 302.418 3.176 50 0 DGAAMO CN(C(=O)C[N@@H+](C)[C@H]1CCc2ccccc21)C1CCCCC1 ZINC000040049995 431857313 /nfs/dbraw/zinc/85/73/13/431857313.db2.gz SUBZPHHVPDHSSI-SFHVURJKSA-N 1 1 300.446 3.397 50 0 DGAAMO C[N@H+](Cc1cccs1)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000089363741 431863767 /nfs/dbraw/zinc/86/37/67/431863767.db2.gz RTRMNEUQVSAVEF-ZDUSSCGKSA-N 1 1 316.426 3.101 50 0 DGAAMO CC[C@@H](O)C[N@@H+](CCC(C)C)Cc1cccc(OC)c1OC ZINC000036097308 431834619 /nfs/dbraw/zinc/83/46/19/431834619.db2.gz NUJXJPDJEDPTCU-MRXNPFEDSA-N 1 1 309.450 3.323 50 0 DGAAMO CCC[N@H+](Cc1cccc(OC)c1)C[C@@H](O)COC(C)(C)C ZINC000036100249 431835445 /nfs/dbraw/zinc/83/54/45/431835445.db2.gz JEFBMBKTBXBXRN-MRXNPFEDSA-N 1 1 309.450 3.083 50 0 DGAAMO Cc1ccc(C[N@H+](CC(C)C)C[C@@H](O)COCC(C)C)cc1 ZINC000036094935 431836158 /nfs/dbraw/zinc/83/61/58/431836158.db2.gz YXQYHRVTIXRUKI-LJQANCHMSA-N 1 1 307.478 3.487 50 0 DGAAMO Cc1ccccc1C[N@@H+](C[C@@H](O)COc1ccccc1)C1CC1 ZINC000036104543 431836606 /nfs/dbraw/zinc/83/66/06/431836606.db2.gz RJHKUVUZJLQTRV-LJQANCHMSA-N 1 1 311.425 3.399 50 0 DGAAMO CCCNC(=O)c1cccc(C[NH2+]Cc2ccccc2F)c1 ZINC000047794375 431915601 /nfs/dbraw/zinc/91/56/01/431915601.db2.gz MWVVEZVITVLHGD-UHFFFAOYSA-N 1 1 300.377 3.255 50 0 DGAAMO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000048287051 431922531 /nfs/dbraw/zinc/92/25/31/431922531.db2.gz SUFHBUXYCQHAMA-ZHALLVOQSA-N 1 1 314.473 3.198 50 0 DGAAMO O=C(Nc1cccnc1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000048313093 431923144 /nfs/dbraw/zinc/92/31/44/431923144.db2.gz FEKDGKJTINBVAO-OAHLLOKOSA-N 1 1 313.376 3.071 50 0 DGAAMO CCCc1nnc(NCC[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000095367421 431923240 /nfs/dbraw/zinc/92/32/40/431923240.db2.gz NWXXBNZZGRUPSN-INIZCTEOSA-N 1 1 314.433 3.346 50 0 DGAAMO C=Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CC2)c1 ZINC000095380036 431924034 /nfs/dbraw/zinc/92/40/34/431924034.db2.gz YNWYDYNLLKMBII-RBUKOAKNSA-N 1 1 310.441 3.162 50 0 DGAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Nc1ccc(F)c(F)c1)C2 ZINC000095373909 431924133 /nfs/dbraw/zinc/92/41/33/431924133.db2.gz VIPAHOKBLOFILO-TZMCWYRMSA-N 1 1 323.387 3.303 50 0 DGAAMO Nc1cc(NCc2ccccn2)nc(SCc2ccccc2)[nH+]1 ZINC000095379937 431924354 /nfs/dbraw/zinc/92/43/54/431924354.db2.gz CLBJZDSMTXBQNY-UHFFFAOYSA-N 1 1 323.425 3.358 50 0 DGAAMO Nc1cc(NCc2ccccn2)[nH+]c(SCc2ccccc2)n1 ZINC000095379937 431924357 /nfs/dbraw/zinc/92/43/57/431924357.db2.gz CLBJZDSMTXBQNY-UHFFFAOYSA-N 1 1 323.425 3.358 50 0 DGAAMO Cc1cnc(CN(C)[C@H]2CC[N@@H+](CCCc3ccccc3)C2)o1 ZINC000089702286 431875755 /nfs/dbraw/zinc/87/57/55/431875755.db2.gz YATSBHYHBUAXLK-SFHVURJKSA-N 1 1 313.445 3.122 50 0 DGAAMO FC(F)Oc1ccc(Cl)cc1CN[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044686218 431877299 /nfs/dbraw/zinc/87/72/99/431877299.db2.gz IFZTZYYSALXWKJ-LBPRGKRZSA-N 1 1 316.779 3.268 50 0 DGAAMO FC(F)Oc1ccc(Cl)cc1CN[C@H]1CC[N@H+](C2CC2)C1 ZINC000044686218 431877301 /nfs/dbraw/zinc/87/73/01/431877301.db2.gz IFZTZYYSALXWKJ-LBPRGKRZSA-N 1 1 316.779 3.268 50 0 DGAAMO C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+](C)C)c1cccs1 ZINC000044891220 431878559 /nfs/dbraw/zinc/87/85/59/431878559.db2.gz KRTZRIUOMAYMIZ-RYUDHWBXSA-N 1 1 307.419 3.004 50 0 DGAAMO COc1ccc(OCc2noc(C[N@@H+]3CCCC[C@H]3C)n2)cc1 ZINC000044893154 431878602 /nfs/dbraw/zinc/87/86/02/431878602.db2.gz GNQUBGPNSUJFCM-CYBMUJFWSA-N 1 1 317.389 3.032 50 0 DGAAMO COc1ccc(OCc2noc(C[N@H+]3CCCC[C@H]3C)n2)cc1 ZINC000044893154 431878605 /nfs/dbraw/zinc/87/86/05/431878605.db2.gz GNQUBGPNSUJFCM-CYBMUJFWSA-N 1 1 317.389 3.032 50 0 DGAAMO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000089894293 431883869 /nfs/dbraw/zinc/88/38/69/431883869.db2.gz SBMJQNFOMMSDDD-OCCSQVGLSA-N 1 1 304.365 3.074 50 0 DGAAMO CC[C@@H](c1ccc(Br)cc1)[N@@H+](C)CCn1cnnc1 ZINC000089947792 431887530 /nfs/dbraw/zinc/88/75/30/431887530.db2.gz SXDFCFMSMZOMPU-AWEZNQCLSA-N 1 1 323.238 3.124 50 0 DGAAMO CC[C@H]1CN(C(=O)c2ccc3occc3c2)CC[N@H+]1C(C)C ZINC000091254703 431904157 /nfs/dbraw/zinc/90/41/57/431904157.db2.gz RZMDKJZIFVNMEW-INIZCTEOSA-N 1 1 300.402 3.378 50 0 DGAAMO COc1ccccc1C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000047038411 431904785 /nfs/dbraw/zinc/90/47/85/431904785.db2.gz WFWDFUMSNUIHJS-IYBDPMFKSA-N 1 1 318.461 3.183 50 0 DGAAMO CC(C)c1cncnc1N1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000091745751 431905612 /nfs/dbraw/zinc/90/56/12/431905612.db2.gz IIXKEUBBGUKGGT-IAGOWNOFSA-N 1 1 314.477 3.301 50 0 DGAAMO C[N@H+](Cc1cc(C(F)(F)F)ccc1F)C[C@@H]1CCC[C@@H]1O ZINC000091899622 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ZINC001704350757 1202522816 /nfs/dbraw/zinc/52/28/16/1202522816.db2.gz DFKDARKYDSDWEZ-OAHLLOKOSA-N 1 1 301.390 3.071 50 0 DGAAMO Fc1ccc(Cn2ncnc2[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000826589684 1091754860 /nfs/dbraw/zinc/75/48/60/1091754860.db2.gz HXGNTYZSEZZZGO-IAGOWNOFSA-N 1 1 314.408 3.197 50 0 DGAAMO C[N@H+]1CCCC[C@@H]1CNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000827801494 1091779541 /nfs/dbraw/zinc/77/95/41/1091779541.db2.gz MEYCJMLHBBOGLE-YMVOSSCXSA-N 1 1 304.478 3.193 50 0 DGAAMO CC(C)[N@H+]1CC2(CCN(C(=O)C3CC3)CC2)[C@H]1c1ccccc1 ZINC000581803183 1092278670 /nfs/dbraw/zinc/27/86/70/1092278670.db2.gz SLCWLVSYHVIXIU-GOSISDBHSA-N 1 1 312.457 3.471 50 0 DGAAMO Cc1cnc(C2CCOCC2)n1[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000581807029 1092281538 /nfs/dbraw/zinc/28/15/38/1092281538.db2.gz AASSNYPPJATOPS-QGZVFWFLSA-N 1 1 303.450 3.275 50 0 DGAAMO Cc1c[nH+]c(CCNC(=O)c2ccc3ccccc3n2)n1C1CC1 ZINC000581815496 1092284132 /nfs/dbraw/zinc/28/41/32/1092284132.db2.gz KYJXOEARBSXFKA-UHFFFAOYSA-N 1 1 320.396 3.047 50 0 DGAAMO COc1cnc(F)c(C[NH2+][C@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000585117685 1095014298 /nfs/dbraw/zinc/01/42/98/1095014298.db2.gz SJHCXAIUUSSYJZ-CXAGYDPISA-N 1 1 317.408 3.010 50 0 DGAAMO c1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CSC4)no3)C2)cc1 ZINC000585120317 1095019279 /nfs/dbraw/zinc/01/92/79/1095019279.db2.gz HJHKUICZAIYYPZ-CQSZACIVSA-N 1 1 315.442 3.280 50 0 DGAAMO CCC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3OC)no2)C1 ZINC000952877431 1096784167 /nfs/dbraw/zinc/78/41/67/1096784167.db2.gz PVFNBWPURVMDKJ-CYBMUJFWSA-N 1 1 301.390 3.335 50 0 DGAAMO C[N@@H+](Cc1nc(C2CC2)no1)C[C@@H]1CCOc2ccccc2C1 ZINC000095522765 185377328 /nfs/dbraw/zinc/37/73/28/185377328.db2.gz OLDZSSSERAOMSY-CYBMUJFWSA-N 1 1 313.401 3.020 50 0 DGAAMO C[N@H+](Cc1nc(C2CC2)no1)C[C@@H]1CCOc2ccccc2C1 ZINC000095522765 185377329 /nfs/dbraw/zinc/37/73/29/185377329.db2.gz OLDZSSSERAOMSY-CYBMUJFWSA-N 1 1 313.401 3.020 50 0 DGAAMO COc1ccc([C@@H]2C[N@H+](Cc3ccc(C)o3)C[C@H]2N(C)C)cc1 ZINC000095528404 185378309 /nfs/dbraw/zinc/37/83/09/185378309.db2.gz UPEWZLWYRDKQKN-RBUKOAKNSA-N 1 1 314.429 3.126 50 0 DGAAMO COc1ccc([C@@H]2C[N@@H+](Cc3ccc(C)o3)C[C@H]2N(C)C)cc1 ZINC000095528404 185378310 /nfs/dbraw/zinc/37/83/10/185378310.db2.gz UPEWZLWYRDKQKN-RBUKOAKNSA-N 1 1 314.429 3.126 50 0 DGAAMO CS(=O)(=O)CCC[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000103141445 432003478 /nfs/dbraw/zinc/00/34/78/432003478.db2.gz BRBPUWCDHPEWOT-GOSISDBHSA-N 1 1 317.454 3.411 50 0 DGAAMO FC(F)(F)c1c[nH]c([C@H]2CCC[N@@H+](C[C@@H]3CCC=CO3)C2)n1 ZINC000278646562 214300178 /nfs/dbraw/zinc/30/01/78/214300178.db2.gz JGJAHMQGZSFPHU-RYUDHWBXSA-N 1 1 315.339 3.301 50 0 DGAAMO FC(F)(F)c1cnc([C@H]2CCC[N@H+](C[C@@H]3CCC=CO3)C2)[nH]1 ZINC000278646562 214300182 /nfs/dbraw/zinc/30/01/82/214300182.db2.gz JGJAHMQGZSFPHU-RYUDHWBXSA-N 1 1 315.339 3.301 50 0 DGAAMO FC(F)(F)c1cnc([C@H]2CCC[N@@H+](C[C@@H]3CCC=CO3)C2)[nH]1 ZINC000278646562 214300185 /nfs/dbraw/zinc/30/01/85/214300185.db2.gz JGJAHMQGZSFPHU-RYUDHWBXSA-N 1 1 315.339 3.301 50 0 DGAAMO Cc1ccc(C[N@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)cc1 ZINC000328595256 231236118 /nfs/dbraw/zinc/23/61/18/231236118.db2.gz PFYPFAYFSSSBNO-IAGOWNOFSA-N 1 1 316.445 3.436 50 0 DGAAMO Cn1ccnc1[C@@H]1CCC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000082086779 192354425 /nfs/dbraw/zinc/35/44/25/192354425.db2.gz YALTUKOCOLSOTQ-OAHLLOKOSA-N 1 1 317.408 3.208 50 0 DGAAMO c1cnn(-c2cccc(C[N@@H+]3CCCC[C@H]3c3ncc[nH]3)c2)c1 ZINC000092728463 185336442 /nfs/dbraw/zinc/33/64/42/185336442.db2.gz XMDFKRVZFLGPIK-KRWDZBQOSA-N 1 1 307.401 3.323 50 0 DGAAMO c1cnn(-c2cccc(C[N@H+]3CCCC[C@H]3c3ncc[nH]3)c2)c1 ZINC000092728463 185336443 /nfs/dbraw/zinc/33/64/43/185336443.db2.gz XMDFKRVZFLGPIK-KRWDZBQOSA-N 1 1 307.401 3.323 50 0 DGAAMO Fc1cccc(-n2cc(C[N@H+]3CCC[C@@]4(CCOC4)C3)cn2)c1 ZINC000095391091 185351413 /nfs/dbraw/zinc/35/14/13/185351413.db2.gz NHFBIAOJTWDRCN-GOSISDBHSA-N 1 1 315.392 3.014 50 0 DGAAMO Cc1ccc(Cl)c(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000095418310 185359470 /nfs/dbraw/zinc/35/94/70/185359470.db2.gz SQFQXDXUSPEOHV-SWLSCSKDSA-N 1 1 309.841 3.452 50 0 DGAAMO Fc1ccc(CCN2CCC([NH2+]Cc3ccco3)CC2)cc1 ZINC000095419189 185359736 /nfs/dbraw/zinc/35/97/36/185359736.db2.gz RCYKXQMBAJBGJH-UHFFFAOYSA-N 1 1 302.393 3.215 50 0 DGAAMO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1F ZINC000095410455 185357152 /nfs/dbraw/zinc/35/71/52/185357152.db2.gz ZQBGHHMWLOJLDG-BMFZPTHFSA-N 1 1 319.424 3.073 50 0 DGAAMO COc1ccc(C[N@@H+](CCCO)Cc2ccc(C)s2)cc1O ZINC000063844388 432007151 /nfs/dbraw/zinc/00/71/51/432007151.db2.gz YSCQSLMULBIHBT-UHFFFAOYSA-N 1 1 321.442 3.155 50 0 DGAAMO C[C@H]([NH2+]Cc1cc(C(N)=O)cs1)c1cc(F)c(F)c(F)c1 ZINC000095427536 185362067 /nfs/dbraw/zinc/36/20/67/185362067.db2.gz NHJRUKIDKMLZMQ-ZETCQYMHSA-N 1 1 314.332 3.115 50 0 DGAAMO Cc1nc([C@@H](C)NC2CC[NH+](Cc3ccccn3)CC2)cs1 ZINC000095422166 185360964 /nfs/dbraw/zinc/36/09/64/185360964.db2.gz LNLWYKMUSDDCEK-CYBMUJFWSA-N 1 1 316.474 3.162 50 0 DGAAMO Cn1nncc1C[NH2+][C@@H](CC(F)(F)F)c1ccc(Cl)cc1 ZINC000095448939 185368577 /nfs/dbraw/zinc/36/85/77/185368577.db2.gz LPVYPGMGMSGDFP-LBPRGKRZSA-N 1 1 318.730 3.252 50 0 DGAAMO C[C@@H](CO)C[N@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000095452688 185369247 /nfs/dbraw/zinc/36/92/47/185369247.db2.gz ZMUPPKNGCDTRRX-GFCCVEGCSA-N 1 1 317.260 3.134 50 0 DGAAMO COc1ccc(CN2CCC[N@H+]([C@@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000095455302 185369794 /nfs/dbraw/zinc/36/97/94/185369794.db2.gz NJINLYLLAGYQDW-SJLPKXTDSA-N 1 1 302.462 3.392 50 0 DGAAMO CCc1onc(C)c1NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000095460634 185371069 /nfs/dbraw/zinc/37/10/69/185371069.db2.gz RZUXLOQJXTURNR-MRXNPFEDSA-N 1 1 301.390 3.177 50 0 DGAAMO CCc1onc(C)c1NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000095460634 185371070 /nfs/dbraw/zinc/37/10/70/185371070.db2.gz RZUXLOQJXTURNR-MRXNPFEDSA-N 1 1 301.390 3.177 50 0 DGAAMO Cc1nc(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cs1 ZINC000097022670 185398486 /nfs/dbraw/zinc/39/84/86/185398486.db2.gz DBHGLGFKUIOMMV-ZDUSSCGKSA-N 1 1 300.786 3.067 50 0 DGAAMO CCc1cc([C@H]2CCC[N@@H+]2Cc2ccc(OC)c(O)c2)on1 ZINC000064984377 432010361 /nfs/dbraw/zinc/01/03/61/432010361.db2.gz FSHOQPFOHFZPJE-CQSZACIVSA-N 1 1 302.374 3.288 50 0 DGAAMO CCc1cc([C@H]2CCC[N@H+]2Cc2ccc(OC)c(O)c2)on1 ZINC000064984377 432010364 /nfs/dbraw/zinc/01/03/64/432010364.db2.gz FSHOQPFOHFZPJE-CQSZACIVSA-N 1 1 302.374 3.288 50 0 DGAAMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cc2ccccc2n(C)c1=O ZINC000071764136 191028208 /nfs/dbraw/zinc/02/82/08/191028208.db2.gz FHSRSJGKZVELFW-AWEZNQCLSA-N 1 1 307.397 3.127 50 0 DGAAMO Cc1cccnc1CN1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000072138851 191047776 /nfs/dbraw/zinc/04/77/76/191047776.db2.gz SYSYDEHKABFOLP-UHFFFAOYSA-N 1 1 321.424 3.454 50 0 DGAAMO Cc1c(C[N@H+]2CCC[C@@H](COc3cccc(F)c3)C2)cnn1C ZINC000072128405 191042717 /nfs/dbraw/zinc/04/27/17/191042717.db2.gz IAUFTBDZAJASGN-OAHLLOKOSA-N 1 1 317.408 3.159 50 0 DGAAMO Cc1nc(C[N@@H+]2CCCC[C@H]2CCc2ccc(O)cc2)no1 ZINC000072156580 191059988 /nfs/dbraw/zinc/05/99/88/191059988.db2.gz LGQBRSWOVWSCRU-HNNXBMFYSA-N 1 1 301.390 3.071 50 0 DGAAMO Cc1nc(C[N@H+]2CCCC[C@H]2CCc2ccc(O)cc2)no1 ZINC000072156580 191059991 /nfs/dbraw/zinc/05/99/91/191059991.db2.gz LGQBRSWOVWSCRU-HNNXBMFYSA-N 1 1 301.390 3.071 50 0 DGAAMO c1cc2c(cc1OC[C@@H]1CCC[N@H+]3CCCC[C@H]13)OCCO2 ZINC000072157915 191060994 /nfs/dbraw/zinc/06/09/94/191060994.db2.gz XDOQGNOZCAMGPC-GOEBONIOSA-N 1 1 303.402 3.101 50 0 DGAAMO OCCCCCC[N@H+]1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072169653 191068602 /nfs/dbraw/zinc/06/86/02/191068602.db2.gz IERNTNLXKMAOBV-INIZCTEOSA-N 1 1 305.397 3.392 50 0 DGAAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cn2ccccc2n1 ZINC000072253555 191087807 /nfs/dbraw/zinc/08/78/07/191087807.db2.gz ISTKXFAXKLYDLJ-INIZCTEOSA-N 1 1 309.417 3.022 50 0 DGAAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cn2ccccc2n1 ZINC000072253555 191087808 /nfs/dbraw/zinc/08/78/08/191087808.db2.gz ISTKXFAXKLYDLJ-INIZCTEOSA-N 1 1 309.417 3.022 50 0 DGAAMO Cc1nc(C)c(C(=O)N(C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)s1 ZINC000253397567 186305907 /nfs/dbraw/zinc/30/59/07/186305907.db2.gz BMZOOEOIMFXWJS-LSDHHAIUSA-N 1 1 321.490 3.096 50 0 biogenic DGAAMO CCCC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccc(-n2ccnc2)cc1 ZINC000072411589 191154541 /nfs/dbraw/zinc/15/45/41/191154541.db2.gz WPYOVHSNSOTOMR-LJQANCHMSA-N 1 1 321.428 3.343 50 0 DGAAMO CNc1nc(C)cc(N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)n1 ZINC000072419247 191157523 /nfs/dbraw/zinc/15/75/23/191157523.db2.gz AOWPAOCMLDKCCJ-MRXNPFEDSA-N 1 1 317.481 3.283 50 0 DGAAMO CNc1nc(C)cc(N[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)n1 ZINC000072419247 191157525 /nfs/dbraw/zinc/15/75/25/191157525.db2.gz AOWPAOCMLDKCCJ-MRXNPFEDSA-N 1 1 317.481 3.283 50 0 DGAAMO O=C(C[NH+]1CCCCC1)Nc1c2c(nc3ccccc31)CCC2 ZINC000000104222 180694345 /nfs/dbraw/zinc/69/43/45/180694345.db2.gz XBASGIAQLAAUEK-UHFFFAOYSA-N 1 1 309.413 3.148 50 0 DGAAMO Nc1nc(N2CCC[C@H](CCc3cccc(F)c3)C2)cc[nH+]1 ZINC000072431263 191163402 /nfs/dbraw/zinc/16/34/02/191163402.db2.gz PYLNLQQUFSAJQI-CQSZACIVSA-N 1 1 300.381 3.047 50 0 DGAAMO CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H]1c1cccn1C ZINC000072832020 191234391 /nfs/dbraw/zinc/23/43/91/191234391.db2.gz KHSWSAUCAQFYRI-MRXNPFEDSA-N 1 1 314.433 3.099 50 0 DGAAMO CCCSc1ncc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cn1 ZINC000067642686 432033931 /nfs/dbraw/zinc/03/39/31/432033931.db2.gz YDCBLDZGOZWORR-RDJZCZTQSA-N 1 1 321.490 3.106 50 0 DGAAMO COc1cccc(-n2cc(C[N@H+](C)CCC(F)(F)F)cn2)c1 ZINC000067676110 432034654 /nfs/dbraw/zinc/03/46/54/432034654.db2.gz NNSWEYRQMDOTLK-UHFFFAOYSA-N 1 1 313.323 3.265 50 0 DGAAMO COc1cccc(-n2cc(C[N@@H+](C)CCC(F)(F)F)cn2)c1 ZINC000067676110 432034655 /nfs/dbraw/zinc/03/46/55/432034655.db2.gz NNSWEYRQMDOTLK-UHFFFAOYSA-N 1 1 313.323 3.265 50 0 DGAAMO COc1ccc(CC(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000004027443 181064703 /nfs/dbraw/zinc/06/47/03/181064703.db2.gz IKCKHIMVLASZLO-FUHWJXTLSA-N 1 1 317.429 3.045 50 0 biogenic DGAAMO CC(C)c1nc(C[NH+]2CCC(CNC(=O)C(C)(C)C)CC2)co1 ZINC000067725921 432037616 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