smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[C@H]1CCC[C@H]1[NH2+]Cc1noc2c1CCCC2 ZINC000095941286 185036470 /nfs/dbraw/zinc/03/64/70/185036470.db2.gz VRISOXIEIITXNR-DZGCQCFKSA-N 1 0 276.424 4.002 50 0 CIAARO Cc1csc(C2([NH2+]CCC3CCCC3)CCCC2)n1 ZINC000095962971 185044842 /nfs/dbraw/zinc/04/48/42/185044842.db2.gz HBZPLYNAQIVZRU-UHFFFAOYSA-N 1 0 278.465 4.391 50 0 CIAARO [NH3+]C[C@H](CCCCc1ccccc1)c1ccccc1 ZINC000096027208 185067010 /nfs/dbraw/zinc/06/70/10/185067010.db2.gz KDLLJGAKWLTYKD-SFHVURJKSA-N 1 0 253.389 4.142 50 0 CIAARO CC(C)[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1nc2ccccc2[nH]1 ZINC000096997158 185149115 /nfs/dbraw/zinc/14/91/15/185149115.db2.gz GWVWUPDEKKPZEW-RHSMWYFYSA-N 1 0 283.419 4.206 50 0 CIAARO CC[C@@H]1C[N@@H+]2CCSc3c4ccccc4[nH]c3[C@@]2(C)C1 ZINC000004064933 529409049 /nfs/dbraw/zinc/40/90/49/529409049.db2.gz OUBVLROWASLLMT-YVEFUNNKSA-N 1 0 286.444 4.221 50 0 CIAARO CN1C=[N+](c2ccc(Cl)cc2)Cc2cc(Cl)ccc21 ZINC000000410224 136379084 /nfs/dbraw/zinc/37/90/84/136379084.db2.gz SRTGQFAEWXFMKE-UHFFFAOYSA-N 1 0 292.189 4.316 50 0 CIAARO c1cnn(-c2ccc(C[N@@H+]3CCC[C@H]4CCCC[C@H]43)cc2)c1 ZINC000105876482 186082345 /nfs/dbraw/zinc/08/23/45/186082345.db2.gz LSWMOTYWUFMXAB-IEBWSBKVSA-N 1 0 295.430 4.027 50 0 CIAARO CC[C@H]1CCC[N@@H+]([C@H](C)c2c(F)cccc2F)C1 ZINC000106862120 186142428 /nfs/dbraw/zinc/14/24/28/186142428.db2.gz WTUFKUGXDYGWLD-NEPJUHHUSA-N 1 0 253.336 4.148 50 0 CIAARO C[C@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1ccccc1Cl ZINC000170604728 188675517 /nfs/dbraw/zinc/67/55/17/188675517.db2.gz PLZAKIAGEDLMDV-UONOGXRCSA-N 1 0 293.838 4.482 50 0 CIAARO c1ccc(Nc2c3c([nH+]c4ccccc42)CCC3)cc1 ZINC000000122810 169543952 /nfs/dbraw/zinc/54/39/52/169543952.db2.gz VBSXUVLVWVBGPW-UHFFFAOYSA-N 1 0 260.340 4.467 50 0 CIAARO C[NH2+]CCCCOc1ccc(C(C)(C)C)cc1Cl ZINC000002844511 260010198 /nfs/dbraw/zinc/01/01/98/260010198.db2.gz LAASADPHXCVKGR-UHFFFAOYSA-N 1 0 269.816 4.016 50 0 CIAARO O=C(C[C@@H](c1ccccc1)[NH+]1CCCCC1)c1ccccc1 ZINC000002240255 169782900 /nfs/dbraw/zinc/78/29/00/169782900.db2.gz CVVZGKZBSZURJO-IBGZPJMESA-N 1 0 293.410 4.487 50 0 in-vitro CIAARO c1ccc2c(c1)cccc2OCCCC[NH+]1CCCCC1 ZINC000002494352 169795490 /nfs/dbraw/zinc/79/54/90/169795490.db2.gz RERJLKPBYHAGDX-UHFFFAOYSA-N 1 0 283.415 4.485 50 0 CIAARO Cc1ccc(OCCCCCC[NH+]2CCCC2)cc1 ZINC000002496753 169795579 /nfs/dbraw/zinc/79/55/79/169795579.db2.gz MMKKXBLMADGBKG-UHFFFAOYSA-N 1 0 261.409 4.030 50 0 CIAARO Cc1cc(C)c(C)c(OCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000002822198 169834462 /nfs/dbraw/zinc/83/44/62/169834462.db2.gz DVZQUIYMGRAYFF-HZPDHXFCSA-N 1 0 289.463 4.359 50 0 CIAARO CCc1ccccc1OCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000002822093 169834592 /nfs/dbraw/zinc/83/45/92/169834592.db2.gz QQCIZGSXDSMYOW-MRXNPFEDSA-N 1 0 275.436 4.140 50 0 CIAARO CC[C@@H](C)[NH2+]CCCCOc1ccccc1OC(C)C ZINC000002823724 169834608 /nfs/dbraw/zinc/83/46/08/169834608.db2.gz ZTFKGWCEPVBHRI-OAHLLOKOSA-N 1 0 279.424 4.021 50 0 CIAARO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)cc1Cl ZINC000002885305 169841194 /nfs/dbraw/zinc/84/11/94/169841194.db2.gz MERLVJMFSXTKMC-SMDDNHRTSA-N 1 0 267.800 4.017 50 0 CIAARO CCCC[NH2+]CCCCCOc1ccccc1Cl ZINC000002898182 169842555 /nfs/dbraw/zinc/84/25/55/169842555.db2.gz RTPAFFJMRBOJOS-UHFFFAOYSA-N 1 0 269.816 4.279 50 0 CIAARO CC(C)(C)[NH2+]CCCOc1ccc(Cl)cc1Cl ZINC000002900150 169843121 /nfs/dbraw/zinc/84/31/21/169843121.db2.gz ZXLFOKVRINJIAJ-UHFFFAOYSA-N 1 0 276.207 4.150 50 0 CIAARO CCCC[NH2+]CCCOc1ccc(C(C)(C)C)cc1C ZINC000003000615 169848450 /nfs/dbraw/zinc/84/84/50/169848450.db2.gz RNOZFZHEPCFKPH-UHFFFAOYSA-N 1 0 277.452 4.451 50 0 CIAARO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(C)c2)cc1 ZINC000004715905 170004192 /nfs/dbraw/zinc/00/41/92/170004192.db2.gz FZVRYBUFKBAWMV-UHFFFAOYSA-N 1 0 296.414 4.089 50 0 CIAARO C=C1c2cc(F)ccc2C[C@@H](CC[NH+](C)C)c2ccccc21 ZINC000004759684 170012438 /nfs/dbraw/zinc/01/24/38/170012438.db2.gz GRALCDYAQLUESJ-MRXNPFEDSA-N 1 0 295.401 4.479 50 0 CIAARO C[C@@H](O)c1ccc(-c2ccc(C[NH2+]C3CCCC3)o2)cc1 ZINC000004942986 170043680 /nfs/dbraw/zinc/04/36/80/170043680.db2.gz STOQAWOHKIGGRQ-CYBMUJFWSA-N 1 0 285.387 4.032 50 0 CIAARO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)cc1C ZINC000004982714 170048688 /nfs/dbraw/zinc/04/86/88/170048688.db2.gz YUCKKKDGPHKCED-GOSISDBHSA-N 1 0 296.414 4.126 50 0 CIAARO c1ccc2cc(OCC[NH+]3CCCCCC3)ccc2c1 ZINC000004985768 170049004 /nfs/dbraw/zinc/04/90/04/170049004.db2.gz IOOWHBVTHKHPPS-UHFFFAOYSA-N 1 0 269.388 4.095 50 0 CIAARO CCCCCCn1c2c(c(=[NH2+])c3ccccc31)CCC2 ZINC000005003442 170053856 /nfs/dbraw/zinc/05/38/56/170053856.db2.gz OAZNGXKBKDXAIZ-UHFFFAOYSA-N 1 0 268.404 4.190 50 0 CIAARO CCC(C)(C)c1ccc(OCCC[NH2+]C)c(Cl)c1 ZINC000005013288 170055135 /nfs/dbraw/zinc/05/51/35/170055135.db2.gz COCJGINXBUUHAD-UHFFFAOYSA-N 1 0 269.816 4.016 50 0 CIAARO Cc1cccc(C(C)(C)C)c1OCC[NH2+]C1CCCC1 ZINC000005013253 170055239 /nfs/dbraw/zinc/05/52/39/170055239.db2.gz DFJGXEHYAQBSQB-UHFFFAOYSA-N 1 0 275.436 4.204 50 0 CIAARO Cc1cc(Cl)cc(Cl)c1OCC[NH+]1CCCCC1 ZINC000005024170 170057130 /nfs/dbraw/zinc/05/71/30/170057130.db2.gz LCIVXVJGFROTRU-UHFFFAOYSA-N 1 0 288.218 4.167 50 0 CIAARO C[C@H](CC(=O)[C@@H]1[C@H](C)C=CCC1(C)C)[NH2+]Cc1ccccc1 ZINC000005151606 170070793 /nfs/dbraw/zinc/07/07/93/170070793.db2.gz QMLSZOCKIAJRPY-MDZRGWNJSA-N 1 0 299.458 4.362 50 0 CIAARO CC(C)C[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000005817303 170142972 /nfs/dbraw/zinc/14/29/72/170142972.db2.gz UFSVUQPUKOZHAS-UHFFFAOYSA-N 1 0 287.378 4.150 50 0 CIAARO CC[C@@H](C)[NH2+]Cc1cccc(OC)c1OCc1ccccc1 ZINC000005907298 170153473 /nfs/dbraw/zinc/15/34/73/170153473.db2.gz ROHHIYFBSGMNPK-OAHLLOKOSA-N 1 0 299.414 4.162 50 0 CIAARO CC[C@@H](C)[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000005907293 170153816 /nfs/dbraw/zinc/15/38/16/170153816.db2.gz QQJWSUMMWQODIC-CQSZACIVSA-N 1 0 287.378 4.293 50 0 CIAARO Clc1cccc(Cl)c1C[NH2+]C1CCCCC1 ZINC000005995936 170165884 /nfs/dbraw/zinc/16/58/84/170165884.db2.gz AZTYQGDVBIQDRW-UHFFFAOYSA-N 1 0 258.192 4.416 50 0 CIAARO c1csc(COc2ccc(C[NH2+]C3CCCC3)cc2)c1 ZINC000005997611 170166422 /nfs/dbraw/zinc/16/64/22/170166422.db2.gz PPMZPCSPHFSPQM-UHFFFAOYSA-N 1 0 287.428 4.359 50 0 CIAARO c1ccc(COc2cccc(C[NH2+]C3CCCC3)c2)cc1 ZINC000005999268 170166604 /nfs/dbraw/zinc/16/66/04/170166604.db2.gz YLLYPVNHWVRENF-UHFFFAOYSA-N 1 0 281.399 4.298 50 0 CIAARO CSc1ccc(C[NH2+]CCC2=CCCCC2)cc1 ZINC000006584728 170216353 /nfs/dbraw/zinc/21/63/53/170216353.db2.gz YBDQGRAJAPVWCF-UHFFFAOYSA-N 1 0 261.434 4.389 50 0 CIAARO Cc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000006603001 170218524 /nfs/dbraw/zinc/21/85/24/170218524.db2.gz YWUXPHAMQLEMSI-UHFFFAOYSA-N 1 0 279.305 4.304 50 0 CIAARO C[NH+](C)Cc1ccc(F)cc1Sc1ccc(F)cc1 ZINC000006637791 170220749 /nfs/dbraw/zinc/22/07/49/170220749.db2.gz MFKLZDFZLOTGPO-UHFFFAOYSA-N 1 0 279.355 4.178 50 0 CIAARO C[C@H]1CCC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000006652594 170222394 /nfs/dbraw/zinc/22/23/94/170222394.db2.gz TWDYWTJMXWKMEO-AWEZNQCLSA-N 1 0 263.384 4.488 50 0 CIAARO CC(C)CC[C@H](CC[NH2+]Cc1cccnc1)c1ccco1 ZINC000006673124 170225009 /nfs/dbraw/zinc/22/50/09/170225009.db2.gz WXOHINPFBNPOSN-QGZVFWFLSA-N 1 0 286.419 4.374 50 0 CIAARO c1coc(C[NH2+]Cc2ccc(-c3ccccc3)cc2)c1 ZINC000006697661 170227101 /nfs/dbraw/zinc/22/71/01/170227101.db2.gz XHPPINXZLYSEGT-UHFFFAOYSA-N 1 0 263.340 4.236 50 0 CIAARO COc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)o2)cc1 ZINC000006729476 170234793 /nfs/dbraw/zinc/23/47/93/170234793.db2.gz MSCVFLRLVIPDTB-UHFFFAOYSA-N 1 0 293.366 4.245 50 0 CIAARO CC(C)(C)[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000006882572 170252762 /nfs/dbraw/zinc/25/27/62/170252762.db2.gz GZPBTXUYUVJHKD-UHFFFAOYSA-N 1 0 263.768 4.488 50 0 CIAARO CCCC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000007261724 170273823 /nfs/dbraw/zinc/27/38/23/170273823.db2.gz KVNAXYOPPUORMB-UHFFFAOYSA-N 1 0 287.378 4.294 50 0 CIAARO CC[C@H](C)[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000007524834 170288738 /nfs/dbraw/zinc/28/87/38/170288738.db2.gz DIIGSYZRFYXRJV-NSHDSACASA-N 1 0 263.768 4.488 50 0 CIAARO CCOCCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000007524606 170288819 /nfs/dbraw/zinc/28/88/19/170288819.db2.gz AZDGOBRYCLAWFI-UHFFFAOYSA-N 1 0 293.794 4.116 50 0 CIAARO Cc1ccc(C[NH2+]Cc2ccc(C(C)C)cc2)cc1 ZINC000007538213 170290336 /nfs/dbraw/zinc/29/03/36/170290336.db2.gz RUNBFBILZMZBNO-UHFFFAOYSA-N 1 0 253.389 4.408 50 0 CIAARO Clc1ccc(C[n+]2ccc3ccccc3c2)cc1Cl ZINC000007714881 170298827 /nfs/dbraw/zinc/29/88/27/170298827.db2.gz AXLIILTZFWWQCL-UHFFFAOYSA-N 1 0 289.185 4.482 50 0 CIAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+]CC(C)C ZINC000008253413 170327238 /nfs/dbraw/zinc/32/72/38/170327238.db2.gz YBVLFLDVZHXZFH-UHFFFAOYSA-N 1 0 276.207 4.138 50 0 CIAARO CCOc1cc(C[NH2+][C@H](C)CC)cc(Cl)c1OCC ZINC000008325899 170331563 /nfs/dbraw/zinc/33/15/63/170331563.db2.gz RSBKIKQMCMYMSI-LLVKDONJSA-N 1 0 285.815 4.026 50 0 CIAARO CCc1ccc(C)[n+](Cc2ccc(Cl)c(Cl)c2)c1 ZINC000008429051 170336208 /nfs/dbraw/zinc/33/62/08/170336208.db2.gz OSEZMSBSWYTJFY-UHFFFAOYSA-N 1 0 281.206 4.200 50 0 CIAARO CCCC[N@H+](C)Cc1c(C)[nH]c2cc(C)cc(C)c2c1=O ZINC000008717406 170349465 /nfs/dbraw/zinc/34/94/65/170349465.db2.gz INIMHMBOUYXKSH-UHFFFAOYSA-N 1 0 286.419 4.098 50 0 CIAARO CC(C)c1ccc(OCCCC[NH2+]Cc2ccco2)cc1 ZINC000008749817 170354433 /nfs/dbraw/zinc/35/44/33/170354433.db2.gz HIJZEUZANTYFGW-UHFFFAOYSA-N 1 0 287.403 4.352 50 0 CIAARO CCC(C)(C)[NH2+]CC(=O)Nc1ccccc1-c1ccccc1 ZINC000009494814 170378655 /nfs/dbraw/zinc/37/86/55/170378655.db2.gz OCRLXDKISCRPRT-UHFFFAOYSA-N 1 0 296.414 4.070 50 0 CIAARO CCOc1cccc(C[NH2+]CCC2=CCCCC2)c1 ZINC000013718057 170581290 /nfs/dbraw/zinc/58/12/90/170581290.db2.gz IYNXWIHUBVNDBG-UHFFFAOYSA-N 1 0 259.393 4.065 50 0 CIAARO COCCC[NH2+]Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000013722636 170582122 /nfs/dbraw/zinc/58/21/22/170582122.db2.gz NTXBJQJHALWUDP-UHFFFAOYSA-N 1 0 293.794 4.035 50 0 CIAARO Cc1ccc(O[C@H](C)C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000019737853 170850804 /nfs/dbraw/zinc/85/08/04/170850804.db2.gz JOKLUPQCOGAYQO-CVEARBPZSA-N 1 0 269.388 4.113 50 0 CIAARO Cc1ccc(OCC[C@@H]2CCCC[NH2+]2)c(C(C)(C)C)c1 ZINC000020221561 171083001 /nfs/dbraw/zinc/08/30/01/171083001.db2.gz XUPKWVIKZGSDPG-HNNXBMFYSA-N 1 0 275.436 4.204 50 0 CIAARO CCC(C)(C)c1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000020221563 171083322 /nfs/dbraw/zinc/08/33/22/171083322.db2.gz XFZFFHYJACKBFM-INIZCTEOSA-N 1 0 275.436 4.285 50 0 CIAARO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccccc1Br ZINC000020523197 171235988 /nfs/dbraw/zinc/23/59/88/171235988.db2.gz XJAPQHHCMRESGA-MNOVXSKESA-N 1 0 270.214 4.144 50 0 CIAARO CC[C@@H](C)[NH2+]Cc1ccccc1OCc1ccc(C)cc1 ZINC000020873620 171277306 /nfs/dbraw/zinc/27/73/06/171277306.db2.gz WRPOTZIBXYBOJB-MRXNPFEDSA-N 1 0 283.415 4.462 50 0 CIAARO CC[C@H](C)[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000020876034 171277448 /nfs/dbraw/zinc/27/74/48/171277448.db2.gz LPXRYTJRPHNEEO-NSHDSACASA-N 1 0 263.768 4.488 50 0 CIAARO CCOCCC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000020876022 171277509 /nfs/dbraw/zinc/27/75/09/171277509.db2.gz JJRNWWZBJKIOPM-UHFFFAOYSA-N 1 0 293.794 4.116 50 0 CIAARO CCC[NH2+]Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000020876593 171277782 /nfs/dbraw/zinc/27/77/82/171277782.db2.gz KRPZBHSTYAFTTI-UHFFFAOYSA-N 1 0 263.768 4.408 50 0 CIAARO CCCOc1ccc(C[NH2+]C(C)(C)C)cc1Cl ZINC000020925376 171280379 /nfs/dbraw/zinc/28/03/79/171280379.db2.gz JMYRCUWTMFUZPB-UHFFFAOYSA-N 1 0 255.789 4.017 50 0 CIAARO CCCOc1c(Cl)cc(C[NH2+]C(C)C)cc1Cl ZINC000020926530 171280436 /nfs/dbraw/zinc/28/04/36/171280436.db2.gz CAIBJRFWESQTAC-UHFFFAOYSA-N 1 0 276.207 4.280 50 0 CIAARO CCC[NH2+]Cc1cc(Cl)c(OCCC)c(Cl)c1 ZINC000020926356 171280633 /nfs/dbraw/zinc/28/06/33/171280633.db2.gz JNECSMPMNUUVCH-UHFFFAOYSA-N 1 0 276.207 4.282 50 0 CIAARO CCCOc1ccc(C[NH2+]Cc2ccc(C)cc2)cc1OC ZINC000020931179 171280822 /nfs/dbraw/zinc/28/08/22/171280822.db2.gz NDMJQAGQGNLXKZ-UHFFFAOYSA-N 1 0 299.414 4.082 50 0 CIAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]C1CC1 ZINC000020930260 171280882 /nfs/dbraw/zinc/28/08/82/171280882.db2.gz WTKCKGGSIFHQOI-UHFFFAOYSA-N 1 0 274.191 4.034 50 0 CIAARO CCCCCC[NH2+]Cc1ccc(OCCC)c(OC)c1 ZINC000020931043 171281181 /nfs/dbraw/zinc/28/11/81/171281181.db2.gz RHZHEKJEMFDCBI-UHFFFAOYSA-N 1 0 279.424 4.154 50 0 CIAARO Cc1ccc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)o1 ZINC000021019809 171290195 /nfs/dbraw/zinc/29/01/95/171290195.db2.gz JDVQOLIGMJTCDW-ZZFFKQLHSA-N 1 0 273.420 4.283 50 0 CIAARO Fc1ccccc1CC[NH2+]Cc1ccccc1C(F)(F)F ZINC000021054412 171295558 /nfs/dbraw/zinc/29/55/58/171295558.db2.gz KODVFGIBKNYKJX-UHFFFAOYSA-N 1 0 297.295 4.177 50 0 CIAARO CCCn1c2ccccc2nc1[C@@H](C)[NH+]1CCCCCC1 ZINC000021175867 171298847 /nfs/dbraw/zinc/29/88/47/171298847.db2.gz FXLVGZLJGYOHPC-OAHLLOKOSA-N 1 0 285.435 4.383 50 0 CIAARO CC(C)c1ccc(C[NH2+]CCc2ccccc2)cc1 ZINC000021516248 171312571 /nfs/dbraw/zinc/31/25/71/171312571.db2.gz APVYMACHGZAFQY-UHFFFAOYSA-N 1 0 253.389 4.142 50 0 CIAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1C ZINC000021720749 171321087 /nfs/dbraw/zinc/32/10/87/171321087.db2.gz HQIOXFPHTXNHAD-QGZVFWFLSA-N 1 0 298.430 4.499 50 0 CIAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1cccc(C)c1 ZINC000021720844 171321102 /nfs/dbraw/zinc/32/11/02/171321102.db2.gz RYSKJUXEPKOFKF-MRXNPFEDSA-N 1 0 284.403 4.191 50 0 CIAARO Cc1ccsc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000021790160 171323194 /nfs/dbraw/zinc/32/31/94/171323194.db2.gz ZYMULUCVPFMKLX-UHFFFAOYSA-N 1 0 265.809 4.042 50 0 CIAARO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCc2ccco2)cc1 ZINC000021797752 171325170 /nfs/dbraw/zinc/32/51/70/171325170.db2.gz SOZJHSAGRRZPDQ-LSDHHAIUSA-N 1 0 257.377 4.260 50 0 CIAARO c1ccc(CC[NH2+]CC2(c3ccccc3)CCCC2)cc1 ZINC000028540519 171563753 /nfs/dbraw/zinc/56/37/53/171563753.db2.gz JBKIHGWELSQAPX-UHFFFAOYSA-N 1 0 279.427 4.331 50 0 CIAARO CCC[NH2+]Cc1cccc(OCc2ccccc2C)c1 ZINC000032117730 171709915 /nfs/dbraw/zinc/70/99/15/171709915.db2.gz XCKINSLSRQMNDW-UHFFFAOYSA-N 1 0 269.388 4.074 50 0 CIAARO C[NH2+]CC[C@@H](c1cccs1)c1ccc(O)c2ccccc21 ZINC000035567297 172265566 /nfs/dbraw/zinc/26/55/66/172265566.db2.gz OJXMJLCWKLPCHB-MRXNPFEDSA-N 1 0 297.423 4.348 50 0 in-vitro CIAARO CCCCC[C@@H]([NH2+]Cc1cccnc1)c1ccccc1 ZINC000037232208 173051498 /nfs/dbraw/zinc/05/14/98/173051498.db2.gz IIRJWAVDSRAORT-GOSISDBHSA-N 1 0 268.404 4.493 50 0 CIAARO Cc1cc(C(C)(C)C)ccc1OCCC1CC[NH2+]CC1 ZINC000037429032 173200161 /nfs/dbraw/zinc/20/01/61/173200161.db2.gz JZWUYZPFMUOUMT-UHFFFAOYSA-N 1 0 275.436 4.061 50 0 CIAARO C[NH2+][C@@H](C)c1cccc(-c2ccc(OC(C)C)cc2)c1 ZINC000038073463 174083883 /nfs/dbraw/zinc/08/38/83/174083883.db2.gz GSUWBZHRSDPBCZ-AWEZNQCLSA-N 1 0 269.388 4.421 50 0 CIAARO Cc1cccc(COc2ccc(C[NH2+]C(C)(C)C)cc2)c1 ZINC000040722616 174385283 /nfs/dbraw/zinc/38/52/83/174385283.db2.gz PBIYDQNZJCTYEK-UHFFFAOYSA-N 1 0 283.415 4.462 50 0 CIAARO CC[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2C)cc1 ZINC000040722692 174385389 /nfs/dbraw/zinc/38/53/89/174385389.db2.gz UCKSFFKGOKBOGU-MRXNPFEDSA-N 1 0 283.415 4.462 50 0 CIAARO COc1cc(Cl)cc(C[NH2+]C2CCCC2)c1OC(C)C ZINC000040728284 174387663 /nfs/dbraw/zinc/38/76/63/174387663.db2.gz UEBFEHCJVFMVLW-UHFFFAOYSA-N 1 0 297.826 4.168 50 0 CIAARO Cc1ccccc1COc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000040738231 174390062 /nfs/dbraw/zinc/39/00/62/174390062.db2.gz FOMGRNOIUQTXER-UHFFFAOYSA-N 1 0 283.415 4.462 50 0 CIAARO CC[C@H](C)[NH2+]Cc1cccc(OCc2cccc(C)c2)c1 ZINC000040738119 174390192 /nfs/dbraw/zinc/39/01/92/174390192.db2.gz GYHFNVDTFMKVAN-INIZCTEOSA-N 1 0 283.415 4.462 50 0 CIAARO Cc1ccc(OCC[C@H]2CCC[NH2+]C2)c(C(C)(C)C)c1 ZINC000042771262 174871044 /nfs/dbraw/zinc/87/10/44/174871044.db2.gz UNTXIWDAKSTBDO-OAHLLOKOSA-N 1 0 275.436 4.061 50 0 CIAARO CC(C)(C)c1ccc(OCC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042771064 174871052 /nfs/dbraw/zinc/87/10/52/174871052.db2.gz QKUSGBRZYNPSOV-CYBMUJFWSA-N 1 0 295.854 4.406 50 0 CIAARO CC(C)(C)c1cc(Cl)ccc1OC[C@H]1CCC[NH2+]C1 ZINC000042775332 174873961 /nfs/dbraw/zinc/87/39/61/174873961.db2.gz TXVNLTPROWASBB-LBPRGKRZSA-N 1 0 281.827 4.016 50 0 CIAARO Clc1ccc(O[C@H]2CCC[NH2+]C2)c(-c2ccccc2)c1 ZINC000042775486 174873985 /nfs/dbraw/zinc/87/39/85/174873985.db2.gz OKHLNKDFRSVUBN-HNNXBMFYSA-N 1 0 287.790 4.138 50 0 CIAARO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(C)c(C)c2)c1 ZINC000044910802 175275938 /nfs/dbraw/zinc/27/59/38/175275938.db2.gz SDQRZKJRYJRPFK-HNNXBMFYSA-N 1 0 296.414 4.113 50 0 CIAARO c1cc2cc(C[N@@H+]3CCC[C@@H]3c3ccccn3)ccc2o1 ZINC000072128451 176321362 /nfs/dbraw/zinc/32/13/62/176321362.db2.gz PXYLDTDJPBEAGX-QGZVFWFLSA-N 1 0 278.355 4.165 50 0 CIAARO CC(C)Sc1ccc([C@@H](C)[NH2+]Cc2ccccn2)cc1 ZINC000078411678 177339333 /nfs/dbraw/zinc/33/93/33/177339333.db2.gz OVSDSUWUJOOZPK-CQSZACIVSA-N 1 0 286.444 4.433 50 0 CIAARO Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccc2occc2c1 ZINC000352708913 227179263 /nfs/dbraw/zinc/17/92/63/227179263.db2.gz YODWQFOBZRLZHV-KRWDZBQOSA-N 1 0 293.366 4.306 50 0 CIAARO Cc1ccc(C[NH2+]Cc2cc(Br)cs2)cc1 ZINC000020306161 260118016 /nfs/dbraw/zinc/11/80/16/260118016.db2.gz ICHUMUFUVJDMFF-UHFFFAOYSA-N 1 0 296.233 4.109 50 0 CIAARO C[C@H]([NH2+]Cc1cc(Br)cs1)c1ccccc1 ZINC000020305864 260118277 /nfs/dbraw/zinc/11/82/77/260118277.db2.gz SHLPVULAGMFZAX-JTQLQIEISA-N 1 0 296.233 4.361 50 0 CIAARO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccco1 ZINC000023280536 266022871 /nfs/dbraw/zinc/02/28/71/266022871.db2.gz GIYCMYJLOBWZOS-LLVKDONJSA-N 1 0 283.293 4.019 50 0 CIAARO C[C@H]([NH2+]Cc1cncn1C)c1ccc(Cl)c2ccccc21 ZINC000185141751 335947210 /nfs/dbraw/zinc/94/72/10/335947210.db2.gz ZTBNLSWPRMUCHB-LBPRGKRZSA-N 1 0 299.805 4.078 50 0 CIAARO C[C@H]([NH2+]C[C@H]1CCO[C@H]1c1ccccc1)c1cccs1 ZINC000245343875 525417867 /nfs/dbraw/zinc/41/78/67/525417867.db2.gz WGKRCOQMOVDGJU-LXZKKBNFSA-N 1 0 287.428 4.177 50 0 CIAARO CC(C)Oc1ccc(C[NH2+]C2CCCC2)cc1Cl ZINC000040731043 567891012 /nfs/dbraw/zinc/89/10/12/567891012.db2.gz MONPMBILRYBFMN-UHFFFAOYSA-N 1 0 267.800 4.159 50 0 CIAARO CC[C@@H](C)c1ccc(OC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775068 567892042 /nfs/dbraw/zinc/89/20/42/567892042.db2.gz LRLSKFFTAWXGSJ-OLZOCXBDSA-N 1 0 281.827 4.232 50 0 CIAARO O=C(C[C@H](c1ccccc1)[NH+]1CCCCC1)c1ccccc1 ZINC000001555281 560182101 /nfs/dbraw/zinc/18/21/01/560182101.db2.gz CVVZGKZBSZURJO-LJQANCHMSA-N 1 0 293.410 4.487 50 0 in-vitro CIAARO C[NH2+][C@H]1CC2(CCCCC2)c2sc(Cl)cc21 ZINC000239563063 566824888 /nfs/dbraw/zinc/82/48/88/566824888.db2.gz SGTOWJKIHJQCSF-JTQLQIEISA-N 1 0 255.814 4.268 50 0 CIAARO Cc1nc([C@H](C)[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)co1 ZINC000241965555 566826242 /nfs/dbraw/zinc/82/62/42/566826242.db2.gz UTTXTZRURCJWTN-WUYOZQTGSA-N 1 0 288.435 4.239 50 0 CIAARO C[C@@H]([NH2+]C1(c2ccc(Cl)cc2)CCCC1)c1cc[nH]n1 ZINC000241132727 566826598 /nfs/dbraw/zinc/82/65/98/566826598.db2.gz JLFLBTWPRUNMOD-GFCCVEGCSA-N 1 0 289.810 4.183 50 0 CIAARO Cc1noc(C)c1C[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000052162359 566833714 /nfs/dbraw/zinc/83/37/14/566833714.db2.gz MXHOSIPUALYSTM-LLVKDONJSA-N 1 0 278.783 4.138 50 0 CIAARO Cc1cc(Nc2ccccc2)c2c(N)c(C)cc(C)c2[nH+]1 ZINC000000980143 566834934 /nfs/dbraw/zinc/83/49/34/566834934.db2.gz KGNYZBDMTCYQDF-UHFFFAOYSA-N 1 0 277.371 4.486 50 0 CIAARO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000035015141 566841801 /nfs/dbraw/zinc/84/18/01/566841801.db2.gz QKHGLSBTEYKATR-GJZGRUSLSA-N 1 0 259.393 4.011 50 0 CIAARO CCCC[C@H](CC)C(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004027819 566856619 /nfs/dbraw/zinc/85/66/19/566856619.db2.gz SRIUOGOZNQFXLD-YESZJQIVSA-N 1 0 295.467 4.011 50 0 CIAARO C[N@@H+]1CCC[C@H]1/C=C/COc1ccc(Cl)c(Cl)c1 ZINC000004108553 566860795 /nfs/dbraw/zinc/86/07/95/566860795.db2.gz HBVXCBLOJOADGW-TZNOJPMFSA-N 1 0 286.202 4.023 50 0 CIAARO C[C@H]1C[N@@H+](C2c3ccccc3-c3ccccc32)CC(C)(C)O1 ZINC000084705757 566885864 /nfs/dbraw/zinc/88/58/64/566885864.db2.gz KGFHSXKAIAZNKM-AWEZNQCLSA-N 1 0 293.410 4.256 50 0 CIAARO CC[C@H](C)Cn1c2ccccc2nc1C[NH+]1CCCCCC1 ZINC000015831902 566909151 /nfs/dbraw/zinc/90/91/51/566909151.db2.gz VUPLTEFVXIUXKY-INIZCTEOSA-N 1 0 299.462 4.458 50 0 CIAARO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000015837195 566921542 /nfs/dbraw/zinc/92/15/42/566921542.db2.gz FEFHTVKZUIMWBR-GOSISDBHSA-N 1 0 269.363 4.471 50 0 CIAARO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)o1 ZINC000191859066 566971016 /nfs/dbraw/zinc/97/10/16/566971016.db2.gz RXLNNAORZVYGRN-ZVZYQTTQSA-N 1 0 285.387 4.016 50 0 CIAARO c1ccc(C[NH2+]C[C@H]2C[C@]23CCCc2ccccc23)cc1 ZINC000521398171 566976372 /nfs/dbraw/zinc/97/63/72/566976372.db2.gz RFBRUKMQSQFPMV-UYAOXDASSA-N 1 0 277.411 4.070 50 0 CIAARO C[C@@H](c1ccc(-c2ccc(CCO)cc2)cc1)[NH+]1CCCC1 ZINC000426573090 566988004 /nfs/dbraw/zinc/98/80/04/566988004.db2.gz LEPXRJJVPJNWMG-INIZCTEOSA-N 1 0 295.426 4.045 50 0 CIAARO Clc1ccc2oc(C3CC[NH+](C4CCC4)CC3)nc2c1 ZINC000170590929 567011781 /nfs/dbraw/zinc/01/17/81/567011781.db2.gz GMMAUZYHLLJUCN-UHFFFAOYSA-N 1 0 290.794 4.213 50 0 CIAARO C[C@@H]1CC[N@H+](Cc2nc3ccccc3o2)[C@H]2CCCC[C@H]12 ZINC000089929914 567030220 /nfs/dbraw/zinc/03/02/20/567030220.db2.gz HWVBEEZYQVDRBW-FMKPAKJESA-N 1 0 284.403 4.228 50 0 CIAARO CC[C@@H](C)[NH2+]CCOc1ccc(C(C)(C)CC)cc1 ZINC000002822275 567037431 /nfs/dbraw/zinc/03/74/31/567037431.db2.gz XGVXKCCGJOURMN-CQSZACIVSA-N 1 0 263.425 4.141 50 0 CIAARO CCc1cc(OCCC[N@@H+]2CCC[C@H](C)C2)ccc1Cl ZINC000002825299 567037548 /nfs/dbraw/zinc/03/75/48/567037548.db2.gz FLHHXWHCJGRIJL-AWEZNQCLSA-N 1 0 295.854 4.403 50 0 CIAARO CC(C)[C@H](CC[NH2+]Cc1ccccc1)c1ccco1 ZINC000002091908 567042687 /nfs/dbraw/zinc/04/26/87/567042687.db2.gz OGBZWHNMZSPTQW-INIZCTEOSA-N 1 0 257.377 4.199 50 0 CIAARO c1ccc(C[C@H]([NH2+]CC[C@H]2CCCO2)c2ccccc2)cc1 ZINC000170640688 567043767 /nfs/dbraw/zinc/04/37/67/567043767.db2.gz YVCRYZYAWVAHCD-UXHICEINSA-N 1 0 295.426 4.129 50 0 CIAARO CSc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000194835505 567068164 /nfs/dbraw/zinc/06/81/64/567068164.db2.gz LSSSOPXOKXTOHO-QWHCGFSZSA-N 1 0 272.417 4.215 50 0 CIAARO CC(C)[C@@]1(CC[NH2+]Cc2ccccc2)CCOC(C)(C)C1 ZINC000002211938 567068262 /nfs/dbraw/zinc/06/82/62/567068262.db2.gz TYGKGDQDEMPMLP-IBGZPJMESA-N 1 0 289.463 4.398 50 0 CIAARO CC[NH+](CC)C[C@H](Cc1ccccc1)OCc1ccccc1 ZINC000019908383 567088129 /nfs/dbraw/zinc/08/81/29/567088129.db2.gz QLGHPENAQBKTPL-FQEVSTJZSA-N 1 0 297.442 4.156 50 0 CIAARO Fc1ccc(C[n+]2csc3cc(Cl)ccc32)cc1 ZINC000048523435 567089986 /nfs/dbraw/zinc/08/99/86/567089986.db2.gz XQBZMGOLLOIFTJ-UHFFFAOYSA-N 1 0 278.759 4.030 50 0 CIAARO CCSCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000079110808 567122564 /nfs/dbraw/zinc/12/25/64/567122564.db2.gz DJOFLBFYBOZVCW-AWEZNQCLSA-N 1 0 290.432 4.108 50 0 CIAARO CC[C@H](C)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000095410290 567128609 /nfs/dbraw/zinc/12/86/09/567128609.db2.gz XGXWRZDJAAIVPJ-ZDUSSCGKSA-N 1 0 293.838 4.281 50 0 CIAARO CCCC[N@H+](Cc1csc(CC)n1)[C@H](C)CC ZINC000095349904 567129095 /nfs/dbraw/zinc/12/90/95/567129095.db2.gz JTKXOQFHSQDTCS-GFCCVEGCSA-N 1 0 254.443 4.106 50 0 CIAARO COc1cccc2cc([C@H](C)[NH2+][C@@H](C)c3ccncc3)oc21 ZINC000095349346 567129567 /nfs/dbraw/zinc/12/95/67/567129567.db2.gz QYEVHOHWFZLBBW-STQMWFEESA-N 1 0 296.370 4.248 50 0 CIAARO CC(C)C[C@@H]([NH2+]Cc1cccs1)c1ccccn1 ZINC000095419350 567131820 /nfs/dbraw/zinc/13/18/20/567131820.db2.gz DAKLFZAZOFPLMU-OAHLLOKOSA-N 1 0 260.406 4.020 50 0 CIAARO CCCC[C@@H](CC)C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000095444340 567133330 /nfs/dbraw/zinc/13/33/30/567133330.db2.gz QXTHAJILGMYHSN-LSDHHAIUSA-N 1 0 263.425 4.046 50 0 CIAARO Cc1cccc([C@H]2CCCC[N@@H+]2C2CCOCC2)c1C ZINC000095457126 567134299 /nfs/dbraw/zinc/13/42/99/567134299.db2.gz VOFNPIGJHFXMGT-GOSISDBHSA-N 1 0 273.420 4.009 50 0 CIAARO CCC[NH2+]CCCOc1cccc(-c2ccccc2)c1 ZINC000096028211 567138015 /nfs/dbraw/zinc/13/80/15/567138015.db2.gz AAKKXBPFAJJKCL-UHFFFAOYSA-N 1 0 269.388 4.122 50 0 CIAARO C[NH+](C)CCOC1(c2ccc(Cl)cc2)CCCCC1 ZINC000096026718 567138396 /nfs/dbraw/zinc/13/83/96/567138396.db2.gz IZGAJEPEAOPJLT-UHFFFAOYSA-N 1 0 281.827 4.078 50 0 CIAARO Cc1ccc(C)c(N[N+](=O)c2cc(C)ccc2C)c1 ZINC000334159044 567143672 /nfs/dbraw/zinc/14/36/72/567143672.db2.gz DEJHYBPZOSYDOX-UHFFFAOYSA-N 1 0 255.341 4.358 50 0 CIAARO Cc1cc2oc(=O)cc(C[NH+]3CCCCCCC3)c2cc1C ZINC000003362349 567172154 /nfs/dbraw/zinc/17/21/54/567172154.db2.gz KERXDAKUJBYSJV-UHFFFAOYSA-N 1 0 299.414 4.176 50 0 CIAARO Cc1ccc2[nH+]c3c(c(Nc4ccc(O)cc4)c2c1)CCC3 ZINC000000110324 567818425 /nfs/dbraw/zinc/81/84/25/567818425.db2.gz YYASXOCTWBITNZ-UHFFFAOYSA-N 1 0 290.366 4.481 50 0 CIAARO CC[C@H](C)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000000251640 567823233 /nfs/dbraw/zinc/82/32/33/567823233.db2.gz FTVPROHHZAICOH-HNNXBMFYSA-N 1 0 269.388 4.154 50 0 CIAARO Cc1nc2ccccc2n1Cc1cc(C)ccc1C ZINC000000352867 567826162 /nfs/dbraw/zinc/82/61/62/567826162.db2.gz VZNDEYDIXSATQJ-UHFFFAOYSA-N 1 0 250.345 4.010 50 0 CIAARO C[C@H](Cc1ccccc1Sc1ccc(O)cc1)[NH+](C)C ZINC000000347805 567826414 /nfs/dbraw/zinc/82/64/14/567826414.db2.gz XIALVPWRLIIBKE-CYBMUJFWSA-N 1 0 287.428 4.036 50 0 CIAARO Fc1ccc(-c2c[n+]3ccccc3n2-c2ccccc2)cc1 ZINC000000390321 567828327 /nfs/dbraw/zinc/82/83/27/567828327.db2.gz OZHOHOZKCNGAAZ-UHFFFAOYSA-N 1 0 289.333 4.022 50 0 CIAARO FC(F)Sc1ccc(NC2=[NH+]CCCCC2)cc1 ZINC000000510084 567832879 /nfs/dbraw/zinc/83/28/79/567832879.db2.gz VOPNGNNIEQNNQN-UHFFFAOYSA-N 1 0 270.348 4.386 50 0 CIAARO Cc1ccc(C)c(C[N@@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000000758838 567834608 /nfs/dbraw/zinc/83/46/08/567834608.db2.gz PEYWHCUXTCZSNH-LJQANCHMSA-N 1 0 280.415 4.426 50 0 CIAARO OCCCCCC[NH+]1CCC(c2ccccc2Cl)CC1 ZINC000096026588 567835264 /nfs/dbraw/zinc/83/52/64/567835264.db2.gz NOWQHJDMLZWVTP-UHFFFAOYSA-N 1 0 295.854 4.072 50 0 CIAARO CCC[N@H+](CC)C[C@@H]1COC2(CCC(C(C)(C)C)CC2)O1 ZINC000000967718 567835544 /nfs/dbraw/zinc/83/55/44/567835544.db2.gz PUYXTUJWRLOUCW-UPTPFMHGSA-N 1 0 297.483 4.066 50 0 in-vitro CIAARO Clc1ccc(C[NH2+]Cc2ccccc2)c(Cl)c1 ZINC000002000196 567844047 /nfs/dbraw/zinc/84/40/47/567844047.db2.gz RJIXZWDWKCJXBS-UHFFFAOYSA-N 1 0 266.171 4.283 50 0 CIAARO CC[C@@]1(C)C[C@](CC[NH2+]Cc2ccco2)(C(C)C)CCO1 ZINC000002109810 567844723 /nfs/dbraw/zinc/84/47/23/567844723.db2.gz BDNLJAUVIBLENP-ZWKOTPCHSA-N 1 0 293.451 4.381 50 0 CIAARO CC(C)(C)c1ccccc1OCCCC[NH+]1CCCC1 ZINC000002183539 567845049 /nfs/dbraw/zinc/84/50/49/567845049.db2.gz CBVGZJDKKREISS-UHFFFAOYSA-N 1 0 275.436 4.239 50 0 CIAARO Cc1ccc(C(C)C)cc1OCCCC[NH+]1CCCC1 ZINC000002183538 567845313 /nfs/dbraw/zinc/84/53/13/567845313.db2.gz MKTUEWXAISMWKC-UHFFFAOYSA-N 1 0 275.436 4.373 50 0 CIAARO CC[NH+](CC)CCCOc1c(C)cc(Cl)cc1Cl ZINC000002490236 567845783 /nfs/dbraw/zinc/84/57/83/567845783.db2.gz QLMFPZBOLLECKN-UHFFFAOYSA-N 1 0 290.234 4.413 50 0 CIAARO CC[NH+](CC)CCCSc1nc2ccccc2s1 ZINC000002469516 567846054 /nfs/dbraw/zinc/84/60/54/567846054.db2.gz CUHMHWUQGHAIKF-UHFFFAOYSA-N 1 0 280.462 4.120 50 0 CIAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1F ZINC000002514520 567846232 /nfs/dbraw/zinc/84/62/32/567846232.db2.gz KPSZNZQNDRJODV-UHFFFAOYSA-N 1 0 297.373 4.043 50 0 CIAARO CC(C)C[C@@H]([NH3+])C(F)(c1ccccc1)c1ccccc1 ZINC000002506621 567846371 /nfs/dbraw/zinc/84/63/71/567846371.db2.gz PDTGGQHFGXMDGP-QGZVFWFLSA-N 1 0 271.379 4.273 50 0 CIAARO O=C(c1cccc(F)c1)c1ccccc1C[NH+]1CCCCC1 ZINC000002515506 567846811 /nfs/dbraw/zinc/84/68/11/567846811.db2.gz LIWBMXUBLWDKTJ-UHFFFAOYSA-N 1 0 297.373 4.043 50 0 CIAARO CCc1cccc(OCCCC[NH+]2CCCCCC2)c1 ZINC000002839006 567849604 /nfs/dbraw/zinc/84/96/04/567849604.db2.gz IIQYYMHFVFBCCE-UHFFFAOYSA-N 1 0 275.436 4.284 50 0 CIAARO Cc1ccc(OCCCC[NH2+]C2CCCCC2)c(C)c1 ZINC000002839412 567849645 /nfs/dbraw/zinc/84/96/45/567849645.db2.gz QESYMHDXPQUEHR-UHFFFAOYSA-N 1 0 275.436 4.385 50 0 CIAARO Clc1ccc(OCCCC[NH2+]C2CCCCC2)cc1 ZINC000002839022 567849665 /nfs/dbraw/zinc/84/96/65/567849665.db2.gz JIXNXONJOKPKEG-UHFFFAOYSA-N 1 0 281.827 4.421 50 0 CIAARO CCCC[NH2+]CCCCCOc1cccc(Cl)c1 ZINC000002900865 567850118 /nfs/dbraw/zinc/85/01/18/567850118.db2.gz UPMNCYMFPXHHDF-UHFFFAOYSA-N 1 0 269.816 4.279 50 0 CIAARO CCCC[N@H+](Cc1ccccc1)Cc1ccccc1OC ZINC000002893918 567850124 /nfs/dbraw/zinc/85/01/24/567850124.db2.gz ZRNUNXUUMRPASM-UHFFFAOYSA-N 1 0 283.415 4.498 50 0 CIAARO CC[NH+](CC)CCCCCOc1c(C)cccc1C ZINC000002880536 567850217 /nfs/dbraw/zinc/85/02/17/567850217.db2.gz YKMYHKBXGWQHAN-UHFFFAOYSA-N 1 0 263.425 4.194 50 0 CIAARO Clc1ccc(Cl)c(OCCCC[NH+]2CCCC2)c1 ZINC000002933014 567850725 /nfs/dbraw/zinc/85/07/25/567850725.db2.gz LVVXXGZUFGXQOZ-UHFFFAOYSA-N 1 0 288.218 4.248 50 0 CIAARO Cc1cc(OCCCC[NH+]2CCCC2)ccc1C(C)C ZINC000003000680 567850958 /nfs/dbraw/zinc/85/09/58/567850958.db2.gz PDJMRBDHHRYQLC-UHFFFAOYSA-N 1 0 275.436 4.373 50 0 CIAARO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)Cc1ccccc1 ZINC000062169707 567852071 /nfs/dbraw/zinc/85/20/71/567852071.db2.gz GDDSUMJFPAHCRT-SJORKVTESA-N 1 0 267.416 4.229 50 0 CIAARO CC(C)(C)[C@@H]1C[N@@H+](C(C)(C)C)C[C@@](O)(c2ccccc2)C1 ZINC000004030951 567855172 /nfs/dbraw/zinc/85/51/72/567855172.db2.gz JXFJOPCGNKFADS-QFBILLFUSA-N 1 0 289.463 4.041 50 0 CIAARO CC[n+]1c(/C=C\c2ccccc2O)ccc2ccccc21 ZINC000004530386 567857657 /nfs/dbraw/zinc/85/76/57/567857657.db2.gz MMXALWNYGLYUTB-UHFFFAOYSA-O 1 0 276.359 4.023 50 0 CIAARO Cc1ccc(COc2ccc(C[NH2+]C(C)C)cc2)cc1 ZINC000010436315 567861910 /nfs/dbraw/zinc/86/19/10/567861910.db2.gz SCWFGUXQCHAPFS-UHFFFAOYSA-N 1 0 269.388 4.072 50 0 CIAARO Clc1ccc2nc3c(c(-c4ccccc4)c2c1)C[NH2+]CC3 ZINC000012969946 567864359 /nfs/dbraw/zinc/86/43/59/567864359.db2.gz BBONJILHTZFDSR-UHFFFAOYSA-N 1 0 294.785 4.201 50 0 CIAARO CCC(C)(C)[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000013724935 567867424 /nfs/dbraw/zinc/86/74/24/567867424.db2.gz WVUVZKJIQLMZAO-UHFFFAOYSA-N 1 0 276.207 4.280 50 0 CIAARO Cc1c([C@@H](C)[NH2+]C2CCCCC2)cnn1-c1ccccc1 ZINC000015076335 567870294 /nfs/dbraw/zinc/87/02/94/567870294.db2.gz YTIWLEBSENDEHZ-CQSZACIVSA-N 1 0 283.419 4.164 50 0 CIAARO Cc1ccc(NC2=[NH+]c3ccccc3SC2)cc1 ZINC000016711848 567873763 /nfs/dbraw/zinc/87/37/63/567873763.db2.gz SYMOJHGEXIMUCF-UHFFFAOYSA-N 1 0 254.358 4.243 50 0 CIAARO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)o2)cc1 ZINC000037489242 567876645 /nfs/dbraw/zinc/87/66/45/567876645.db2.gz KQYTWAQAZYPHCP-LLVKDONJSA-N 1 0 279.767 4.183 50 0 CIAARO CC[C@@H]([NH3+])c1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000019735018 567878521 /nfs/dbraw/zinc/87/85/21/567878521.db2.gz YZXUIVPRPAFCFV-CQSZACIVSA-N 1 0 299.805 4.148 50 0 CIAARO [NH3+][C@@H](c1ccc(Cl)cc1)c1ccccc1Cl ZINC000019804072 567879198 /nfs/dbraw/zinc/87/91/98/567879198.db2.gz MDODXHIPLZWVCK-ZDUSSCGKSA-N 1 0 252.144 4.042 50 0 CIAARO [NH3+][C@H](c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000019968079 567880574 /nfs/dbraw/zinc/88/05/74/567880574.db2.gz IYXMLFSUCVXABO-LJQANCHMSA-N 1 0 259.352 4.402 50 0 CIAARO C[NH2+]Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1 ZINC000033976798 567882578 /nfs/dbraw/zinc/88/25/78/567882578.db2.gz HJIWIMXZBPSSTO-UHFFFAOYSA-N 1 0 283.705 4.130 50 0 CIAARO Clc1ccc(COCC[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000028522207 567883787 /nfs/dbraw/zinc/88/37/87/567883787.db2.gz ZHJJBXFCPSAJFV-CYBMUJFWSA-N 1 0 288.218 4.042 50 0 CIAARO COc1cc(C[NH2+]Cc2ccc(C)cc2)ccc1OC(C)C ZINC000032184977 567885944 /nfs/dbraw/zinc/88/59/44/567885944.db2.gz FBKQNRIAUNUYPV-UHFFFAOYSA-N 1 0 299.414 4.081 50 0 CIAARO Cc1cc(C)c(C[NH2+][C@@H](C)CCC(C)C)c(C)c1CO ZINC000032593225 567886360 /nfs/dbraw/zinc/88/63/60/567886360.db2.gz FMDIPOYBXYGENJ-HNNXBMFYSA-N 1 0 277.452 4.018 50 0 CIAARO Cc1nn(C)cc1C[N@@H+]1CCCCC[C@H]1c1cccc(C)c1 ZINC000033087098 567886372 /nfs/dbraw/zinc/88/63/72/567886372.db2.gz CNSHYGLPJOADDN-IBGZPJMESA-N 1 0 297.446 4.154 50 0 CIAARO C[C@@H](CCCC(C)(C)O)CC[NH2+][C@@H](C)Cc1ccsc1 ZINC000032603593 567886444 /nfs/dbraw/zinc/88/64/44/567886444.db2.gz CQDXXQXLAOKWOK-GJZGRUSLSA-N 1 0 297.508 4.236 50 0 CIAARO C[NH2+]Cc1ccccc1Oc1ccc(C(C)(C)C)cc1 ZINC000034664445 567888728 /nfs/dbraw/zinc/88/87/28/567888728.db2.gz SFIQXKFSQOGHJY-UHFFFAOYSA-N 1 0 269.388 4.496 50 0 CIAARO CC[NH2+]Cc1cc(C)c(OCc2ccccc2C)c(C)c1 ZINC000034656860 567888806 /nfs/dbraw/zinc/88/88/06/567888806.db2.gz TURVNNFCNMFMBP-UHFFFAOYSA-N 1 0 283.415 4.300 50 0 CIAARO Cc1ccc(C)c(N2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000023282505 567888857 /nfs/dbraw/zinc/88/88/57/567888857.db2.gz FHQPFYRJGWOLHQ-UHFFFAOYSA-N 1 0 286.463 4.004 50 0 CIAARO CC(C)[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000035045297 567889078 /nfs/dbraw/zinc/88/90/78/567889078.db2.gz IJLALMYHOYKSHW-ZETCQYMHSA-N 1 0 250.144 4.192 50 0 CIAARO CSc1ccc(CNc2ccc3[nH]c(C)[nH+]c3c2)cc1 ZINC000037139628 567889981 /nfs/dbraw/zinc/88/99/81/567889981.db2.gz IPSQZYTWEPNARY-UHFFFAOYSA-N 1 0 283.400 4.205 50 0 CIAARO c1ccc(-c2ccccc2OCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000042772412 567891503 /nfs/dbraw/zinc/89/15/03/567891503.db2.gz TVVWCKRBWVVXFN-INIZCTEOSA-N 1 0 281.399 4.122 50 0 CIAARO Clc1cc(Cl)c(O[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC000042774498 567891583 /nfs/dbraw/zinc/89/15/83/567891583.db2.gz FAQKCHBBUKLKOI-JTQLQIEISA-N 1 0 296.197 4.277 50 0 CIAARO CC(C)(c1ccccc1)c1ccc(OC[C@@H]2CC[NH2+]C2)cc1 ZINC000042773144 567891607 /nfs/dbraw/zinc/89/16/07/567891607.db2.gz HCJNLBXCKAAZJO-MRXNPFEDSA-N 1 0 295.426 4.001 50 0 CIAARO Clc1cc(Cl)c(OC[C@H]2CC[NH2+]C2)c2ccccc12 ZINC000042770324 567891729 /nfs/dbraw/zinc/89/17/29/567891729.db2.gz GIBOYFXTUAYLFN-JTQLQIEISA-N 1 0 296.197 4.135 50 0 CIAARO Clc1cc(-c2ccccc2)ccc1OC1CC[NH2+]CC1 ZINC000042774984 567892041 /nfs/dbraw/zinc/89/20/41/567892041.db2.gz IBYSABMOGXONDQ-UHFFFAOYSA-N 1 0 287.790 4.138 50 0 CIAARO O=C(c1ccccc1C[NH+]1CCCC1)C1CCCCC1 ZINC000043211590 567892323 /nfs/dbraw/zinc/89/23/23/567892323.db2.gz OOOGWHRYZIEDKE-UHFFFAOYSA-N 1 0 271.404 4.045 50 0 CIAARO CCC[N@H+](C/C=C/c1ccco1)Cc1ccccc1OC ZINC000055225556 567894250 /nfs/dbraw/zinc/89/42/50/567894250.db2.gz UWJRQYWNGSNCLD-RMKNXTFCSA-N 1 0 285.387 4.214 50 0 CIAARO Fc1ccccc1Cn1cc(C[NH2+]C2CC2)c2ccccc21 ZINC000057353125 567895150 /nfs/dbraw/zinc/89/51/50/567895150.db2.gz PLCOOQAQLCNVGB-UHFFFAOYSA-N 1 0 294.373 4.081 50 0 CIAARO C[C@H](CCc1ccccc1)[NH2+]Cc1cn(C)c2ccccc12 ZINC000057353199 567895204 /nfs/dbraw/zinc/89/52/04/567895204.db2.gz AIISXTHMHAXAJI-MRXNPFEDSA-N 1 0 292.426 4.289 50 0 CIAARO Cc1n[nH]cc1C[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000058098800 567895567 /nfs/dbraw/zinc/89/55/67/567895567.db2.gz HECGVARBUOBYCK-UHFFFAOYSA-N 1 0 298.217 4.050 50 0 CIAARO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000058225038 567895819 /nfs/dbraw/zinc/89/58/19/567895819.db2.gz SZBXZILVAAYIGM-HNNXBMFYSA-N 1 0 276.383 4.428 50 0 CIAARO C/C(=C\c1ccccc1)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000065374683 567898558 /nfs/dbraw/zinc/89/85/58/567898558.db2.gz BOPSLODZJGVTLF-MDJJKAFGSA-N 1 0 266.388 4.178 50 0 CIAARO C[C@H](c1ccc(-c2ccc[nH]c2=O)cc1)[NH+]1CCCCC1 ZINC000065435139 567899209 /nfs/dbraw/zinc/89/92/09/567899209.db2.gz GQULWZHXHDONEG-CQSZACIVSA-N 1 0 282.387 4.001 50 0 CIAARO Cc1ccsc1-c1nc(C[N@H+]2CCC[C@@H]2C)c(C)o1 ZINC000067921841 567901253 /nfs/dbraw/zinc/90/12/53/567901253.db2.gz SJBNWLVDKYJVHY-NSHDSACASA-N 1 0 276.405 4.004 50 0 CIAARO Cn1c(-c2ccccc2)c[nH+]c1NCc1ccccc1Cl ZINC000004678642 567901491 /nfs/dbraw/zinc/90/14/91/567901491.db2.gz MVOWBOIFWNUXJH-UHFFFAOYSA-N 1 0 297.789 4.353 50 0 CIAARO Cc1ccc(-c2c[nH+]c(NCc3ccccc3)n2C)cc1C ZINC000004678766 567901498 /nfs/dbraw/zinc/90/14/98/567901498.db2.gz UJZCSNLQCKYHIE-UHFFFAOYSA-N 1 0 291.398 4.316 50 0 CIAARO CC[N@H+](C/C=C/c1ccccc1)Cc1ccccc1 ZINC000004688986 567901616 /nfs/dbraw/zinc/90/16/16/567901616.db2.gz QZQCEOPYBRKLSV-NTEUORMPSA-N 1 0 251.373 4.222 50 0 CIAARO CC[C@@H]([NH2+][C@H](CC)c1ccc(F)cc1)c1ccncc1 ZINC000097228412 567905846 /nfs/dbraw/zinc/90/58/46/567905846.db2.gz RVPNYVJWZXUTGK-IAGOWNOFSA-N 1 0 272.367 4.413 50 0 CIAARO Clc1ccc(Br)c(C[NH2+]C2CCCC2)c1 ZINC000085219866 567907163 /nfs/dbraw/zinc/90/71/63/567907163.db2.gz INLSKHHXISHQLB-UHFFFAOYSA-N 1 0 288.616 4.135 50 0 CIAARO Cc1cc(NC2CCCCC2)nc(NCc2ccccc2)[nH+]1 ZINC000000073452 567907603 /nfs/dbraw/zinc/90/76/03/567907603.db2.gz GDKCAAWSNQLXNX-UHFFFAOYSA-N 1 0 296.418 4.142 50 0 in-vivo CIAARO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000095444354 567908751 /nfs/dbraw/zinc/90/87/51/567908751.db2.gz GXAWQDPERRPICM-CHWSQXEVSA-N 1 0 274.795 4.455 50 0 CIAARO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000095444355 567908760 /nfs/dbraw/zinc/90/87/60/567908760.db2.gz GXAWQDPERRPICM-OLZOCXBDSA-N 1 0 274.795 4.455 50 0 CIAARO CCc1nc(C)cc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)n1 ZINC000097155931 567910477 /nfs/dbraw/zinc/91/04/77/567910477.db2.gz GJDNAOVGHXMMAP-OAHLLOKOSA-N 1 0 295.430 4.171 50 0 CIAARO Cc1ncc(CN2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)s1 ZINC000095455779 567915276 /nfs/dbraw/zinc/91/52/76/567915276.db2.gz FQPFZENFXVNETH-QWRGUYRKSA-N 1 0 290.407 4.098 50 0 CIAARO C[C@@H](C[N@H+]1Cc2ccccc2O[C@@H](C)C1)c1ccccc1 ZINC000104398080 567916950 /nfs/dbraw/zinc/91/69/50/567916950.db2.gz OCQBWRNBWRFFLA-HOTGVXAUSA-N 1 0 281.399 4.073 50 0 CIAARO CC(C)CC[C@](O)(CC[NH+]1CCCCC1)c1ccccc1 ZINC000000184970 567924695 /nfs/dbraw/zinc/92/46/95/567924695.db2.gz FHTWNTKDXPHJFT-IBGZPJMESA-N 1 0 289.463 4.186 50 0 CIAARO CC[C@@H](C)C[NH2+]Cc1ccccc1SC(F)(F)F ZINC000725270991 567924796 /nfs/dbraw/zinc/92/47/96/567924796.db2.gz XDDSZDCFJRYDNZ-SNVBAGLBSA-N 1 0 277.355 4.434 50 0 CIAARO C[C@H]([NH2+]Cc1ccccc1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000408525910 567927517 /nfs/dbraw/zinc/92/75/17/567927517.db2.gz MYJFLGKNRABFFE-MORSLUCNSA-N 1 0 269.363 4.108 50 0 CIAARO C[C@H]([NH2+]Cc1ccccc1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000408525911 567927536 /nfs/dbraw/zinc/92/75/36/567927536.db2.gz MYJFLGKNRABFFE-VHSSKADRSA-N 1 0 269.363 4.108 50 0 CIAARO CC(C)[C@@H](CC[N@H+](C)[C@H]1CCOC(C)(C)C1)c1ccco1 ZINC000248268343 567928899 /nfs/dbraw/zinc/92/88/99/567928899.db2.gz PDBCXBRKTNIGCU-JKSUJKDBSA-N 1 0 293.451 4.299 50 0 CIAARO c1csc([C@H]2CCC[N@H+]2Cc2nc3ccccc3o2)c1 ZINC000137547651 567930595 /nfs/dbraw/zinc/93/05/95/567930595.db2.gz DWBCWVSMYZZRSW-CYBMUJFWSA-N 1 0 284.384 4.226 50 0 CIAARO CC(C)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000001227030 567937074 /nfs/dbraw/zinc/93/70/74/567937074.db2.gz UIDVYQLUPARINB-UHFFFAOYSA-N 1 0 294.442 4.132 50 0 CIAARO Cc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)c(C)c1 ZINC000002900336 567937841 /nfs/dbraw/zinc/93/78/41/567937841.db2.gz LBASTWNQHIKNJB-UHFFFAOYSA-N 1 0 278.399 4.117 50 0 CIAARO Fc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1 ZINC000013722744 567942085 /nfs/dbraw/zinc/94/20/85/567942085.db2.gz ZKZOPNXKDIGIBI-UHFFFAOYSA-N 1 0 298.188 4.465 50 0 CIAARO CCc1ccc(C[NH2+][C@H](C)CCc2ccccc2)cc1 ZINC000013717995 567942124 /nfs/dbraw/zinc/94/21/24/567942124.db2.gz WHSKPRAJYAFURM-MRXNPFEDSA-N 1 0 267.416 4.360 50 0 CIAARO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000000568245 567943205 /nfs/dbraw/zinc/94/32/05/567943205.db2.gz PRJYIUVDMSKORR-UHFFFAOYSA-N 1 0 296.414 4.089 50 0 CIAARO Clc1ccccc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000016449602 567944329 /nfs/dbraw/zinc/94/43/29/567944329.db2.gz BHIOKQZIDNCZRW-UHFFFAOYSA-N 1 0 275.823 4.398 50 0 CIAARO Fc1ccc(CC[NH2+]Cc2cccc3ccccc32)cc1 ZINC000016526302 567944358 /nfs/dbraw/zinc/94/43/58/567944358.db2.gz CFRFMCFEOWMJES-UHFFFAOYSA-N 1 0 279.358 4.311 50 0 CIAARO Clc1cccc(C[NH2+]CCCn2ccc3ccccc32)c1 ZINC000019231052 567944825 /nfs/dbraw/zinc/94/48/25/567944825.db2.gz KJUZQZYSBAFXFY-UHFFFAOYSA-N 1 0 298.817 4.475 50 0 CIAARO CC(C)c1c[nH]nc1[C@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000011880644 570220597 /nfs/dbraw/zinc/22/05/97/570220597.db2.gz AXTVOJQPJPOJAS-HOTGVXAUSA-N 1 0 287.451 4.069 50 0 CIAARO CC(C)c1c[nH]nc1[C@@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000011880643 570220679 /nfs/dbraw/zinc/22/06/79/570220679.db2.gz AXTVOJQPJPOJAS-JKSUJKDBSA-N 1 0 287.451 4.069 50 0 CIAARO C/C=C(\C)C[N@@H+]1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 ZINC000011843626 570220787 /nfs/dbraw/zinc/22/07/87/570220787.db2.gz NURFJMHCZMPDQO-TVBJEHIUSA-N 1 0 291.822 4.201 50 0 CIAARO Cc1ccsc1C[N@H+](Cc1cccnc1)CC(C)C ZINC000055132230 570241241 /nfs/dbraw/zinc/24/12/41/570241241.db2.gz SIDJTZBJFKCNGA-UHFFFAOYSA-N 1 0 274.433 4.110 50 0 CIAARO CCc1ccc(C[N@H+](Cc2ccco2)[C@@H](C)C(C)C)nc1 ZINC000055152933 570241248 /nfs/dbraw/zinc/24/12/48/570241248.db2.gz FVERRLXRYDMWFB-HNNXBMFYSA-N 1 0 286.419 4.284 50 0 CIAARO CCC[N@H+](Cc1ccc(SC)cc1)Cc1cccnc1 ZINC000055371573 570242965 /nfs/dbraw/zinc/24/29/65/570242965.db2.gz WRJJGXMSHYPXDL-UHFFFAOYSA-N 1 0 286.444 4.216 50 0 CIAARO c1cnn(-c2ccc(C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)cc2)c1 ZINC000048264433 570296514 /nfs/dbraw/zinc/29/65/14/570296514.db2.gz LSWMOTYWUFMXAB-HKUYNNGSSA-N 1 0 295.430 4.027 50 0 CIAARO CC[NH2+]Cc1cc(Cl)ccc1OCc1cccc(C)c1 ZINC000033443249 570316127 /nfs/dbraw/zinc/31/61/27/570316127.db2.gz FDUPLGPBXNLTAR-UHFFFAOYSA-N 1 0 289.806 4.337 50 0 CIAARO CC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1C ZINC000033443248 570316154 /nfs/dbraw/zinc/31/61/54/570316154.db2.gz VAHDWQONJQBOTP-UHFFFAOYSA-N 1 0 289.806 4.337 50 0 CIAARO COc1ccc2c(c1)C(C)(C)C(/C=C/c1ccccc1)=[N+]2C ZINC000015828392 570341571 /nfs/dbraw/zinc/34/15/71/570341571.db2.gz CQJHBCSPQARMPC-JLHYYAGUSA-N 1 0 292.402 4.415 50 0 CIAARO c1ccc2c(c1)Sc1ccccc1N2C[C@@H]1CCC[NH2+]C1 ZINC000043472087 570344777 /nfs/dbraw/zinc/34/47/77/570344777.db2.gz LWYCSDJJCQEQAF-CQSZACIVSA-N 1 0 296.439 4.289 50 0 CIAARO C[N@@H+]1CCCc2c(c3ccccc3n2Cc2ccccc2)C1 ZINC000075567378 570355920 /nfs/dbraw/zinc/35/59/20/570355920.db2.gz QDPXEFWRKNYRFL-UHFFFAOYSA-N 1 0 290.410 4.068 50 0 CIAARO Cc1[nH]c2ccc(Cl)cc2c1CC[NH2+]Cc1ccco1 ZINC000036657782 570361500 /nfs/dbraw/zinc/36/15/00/570361500.db2.gz VXLQIYWVEVPIHF-UHFFFAOYSA-N 1 0 288.778 4.055 50 0 CIAARO c1ccc(SCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000002191176 570375153 /nfs/dbraw/zinc/37/51/53/570375153.db2.gz MDMGQQHMPOPIQV-UHFFFAOYSA-N 1 0 283.440 4.227 50 0 CIAARO O=C(c1ccccc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000001665789 570383883 /nfs/dbraw/zinc/38/38/83/570383883.db2.gz KJPKPBMWHKBKHG-LJQANCHMSA-N 1 0 293.410 4.139 50 0 CIAARO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000095955080 185041607 /nfs/dbraw/zinc/04/16/07/185041607.db2.gz DFNXLZMWDLHDNP-GFCCVEGCSA-N 1 0 294.320 4.293 50 0 CIAARO CC[C@H](C)[C@H](C)[NH2+]CCCCOCCc1ccccc1 ZINC000095967352 185046514 /nfs/dbraw/zinc/04/65/14/185046514.db2.gz MHYUWXPGJZIABK-IRXDYDNUSA-N 1 0 277.452 4.050 50 0 CIAARO Cc1cc([C@H]([NH2+][C@@H](C)c2cnn(C)c2)C(C)C)c(C)s1 ZINC000095967909 185046718 /nfs/dbraw/zinc/04/67/18/185046718.db2.gz KCDAPOGIQLMMPT-BLLLJJGKSA-N 1 0 291.464 4.146 50 0 CIAARO C[NH2+]CCCOc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000002845379 529971972 /nfs/dbraw/zinc/97/19/72/529971972.db2.gz AOYYCTJNDXPVAI-UHFFFAOYSA-N 1 0 283.415 4.001 50 0 aggregator CIAARO Fc1ccc(C[NH+]2CCC(c3cccs3)CC2)cc1 ZINC000085473462 179077747 /nfs/dbraw/zinc/07/77/47/179077747.db2.gz VOPXMOXKPVKPIM-UHFFFAOYSA-N 1 0 275.392 4.267 50 0 CIAARO Fc1cccc(Br)c1C[NH2+]C1CCCCC1 ZINC000085476930 179079464 /nfs/dbraw/zinc/07/94/64/179079464.db2.gz NTTGPCDQIIJRPP-UHFFFAOYSA-N 1 0 286.188 4.011 50 0 CIAARO C[C@@H]1CC2=C(C[C@]1(C)[C@@]1(C)[NH2+]CCO1)C(C)(C)CCC2 ZINC000105689207 186067733 /nfs/dbraw/zinc/06/77/33/186067733.db2.gz FQJQKNKQNJSHCA-BVGQSLNGSA-N 1 0 277.452 4.265 50 0 CIAARO c1cnn(-c2ccc(C[N@@H+]3CCC[C@@H]4CCCC[C@H]43)cc2)c1 ZINC000105876479 186082413 /nfs/dbraw/zinc/08/24/13/186082413.db2.gz LSWMOTYWUFMXAB-PKOBYXMFSA-N 1 0 295.430 4.027 50 0 CIAARO C[C@@H](C[NH2+]C[C@@H](C)c1ccccc1)c1ccccc1 ZINC000003846046 169915917 /nfs/dbraw/zinc/91/59/17/169915917.db2.gz QBFZOSQADWWNSK-IYBDPMFKSA-N 1 0 253.389 4.183 50 0 CIAARO C[C@@H](CCC[NH+]1CCCCC1)Sc1ccc(O)cc1 ZINC000000273077 169594388 /nfs/dbraw/zinc/59/43/88/169594388.db2.gz RRDAEMQYVJNJDR-AWEZNQCLSA-N 1 0 279.449 4.139 50 0 CIAARO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000095444352 184987708 /nfs/dbraw/zinc/98/77/08/184987708.db2.gz GXAWQDPERRPICM-QWHCGFSZSA-N 1 0 274.795 4.455 50 0 CIAARO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000095444353 184987823 /nfs/dbraw/zinc/98/78/23/184987823.db2.gz GXAWQDPERRPICM-STQMWFEESA-N 1 0 274.795 4.455 50 0 CIAARO CC[C@H](C)[NH2+]CCOc1ccc(C(C)(C)CC)cc1 ZINC000002822276 169834454 /nfs/dbraw/zinc/83/44/54/169834454.db2.gz XGVXKCCGJOURMN-AWEZNQCLSA-N 1 0 263.425 4.141 50 0 CIAARO CC[C@@H](C)[NH2+]CCCOc1cc(Cl)ccc1Cl ZINC000002822724 169834569 /nfs/dbraw/zinc/83/45/69/169834569.db2.gz NKFFSZDJFBWGNX-SNVBAGLBSA-N 1 0 276.207 4.150 50 0 CIAARO Fc1ccc(OCCCCCC[NH+]2CCCCC2)cc1 ZINC000002902723 169843412 /nfs/dbraw/zinc/84/34/12/169843412.db2.gz YCJMRDGJONCETE-UHFFFAOYSA-N 1 0 279.399 4.251 50 0 CIAARO C[C@H]([NH2+]Cc1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000004143569 169938155 /nfs/dbraw/zinc/93/81/55/169938155.db2.gz GOEUMOGGECTUKN-ORVZXPRGSA-N 1 0 275.461 4.443 50 0 CIAARO Clc1ccccc1NC1CC[NH+](C2CCCC2)CC1 ZINC000004817070 170022478 /nfs/dbraw/zinc/02/24/78/170022478.db2.gz PGJFPSVUUFTCFG-UHFFFAOYSA-N 1 0 278.827 4.159 50 0 CIAARO Cc1cc(OCC[NH+]2CCC(C)CC2)cc(C(C)C)c1 ZINC000004845305 170029521 /nfs/dbraw/zinc/02/95/21/170029521.db2.gz SIBAUIOJYLQCQI-UHFFFAOYSA-N 1 0 275.436 4.229 50 0 CIAARO Cc1ccc(C(C)(C)C)c(OCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000004905968 170038829 /nfs/dbraw/zinc/03/88/29/170038829.db2.gz PICXSYRGOPRWNV-MRXNPFEDSA-N 1 0 289.463 4.403 50 0 CIAARO COc1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)cc1C ZINC000004982715 170048717 /nfs/dbraw/zinc/04/87/17/170048717.db2.gz YUCKKKDGPHKCED-SFHVURJKSA-N 1 0 296.414 4.126 50 0 CIAARO COc1ccc(C[C@H](C)[NH2+]C[C@H](C)c2ccccc2)cc1 ZINC000004989193 170049957 /nfs/dbraw/zinc/04/99/57/170049957.db2.gz YOCAPZFWIBUVBR-HOTGVXAUSA-N 1 0 283.415 4.020 50 0 CIAARO Fc1ccccc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004990153 170050672 /nfs/dbraw/zinc/05/06/72/170050672.db2.gz GBQCHUUUTXAHAS-UHFFFAOYSA-N 1 0 283.390 4.280 50 0 CIAARO CCCC[NH+](CCCC)Cc1nnc(-c2ccccc2)o1 ZINC000005031871 170058774 /nfs/dbraw/zinc/05/87/74/170058774.db2.gz GXATWIPPMOVTMX-UHFFFAOYSA-N 1 0 287.407 4.139 50 0 CIAARO C[C@H](CC(=O)[C@H]1[C@H](C)C=CCC1(C)C)[NH2+]Cc1ccccc1 ZINC000005151617 170070969 /nfs/dbraw/zinc/07/09/69/170070969.db2.gz QMLSZOCKIAJRPY-GPMSIDNRSA-N 1 0 299.458 4.362 50 0 CIAARO CCC[NH+](CCC)Cc1cc(=O)oc2cc(C)cc(C)c12 ZINC000005215614 170076537 /nfs/dbraw/zinc/07/65/37/170076537.db2.gz WPOYWUBSDJDMFI-UHFFFAOYSA-N 1 0 287.403 4.032 50 0 CIAARO CC(C)C[NH2+]Cc1ccc(OCc2cccs2)cc1 ZINC000005817293 170143035 /nfs/dbraw/zinc/14/30/35/170143035.db2.gz RQVQRSBKMZJBIG-UHFFFAOYSA-N 1 0 275.417 4.073 50 0 CIAARO Cc1ccccc1[C@@H](OCC[NH+](C)C)C1CCCCC1 ZINC000005885542 170150583 /nfs/dbraw/zinc/15/05/83/170150583.db2.gz QVMYGWMIBAYRRL-SFHVURJKSA-N 1 0 275.436 4.195 50 0 CIAARO CC[C@@H](C)[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000005907304 170153769 /nfs/dbraw/zinc/15/37/69/170153769.db2.gz SRHLIZWKRYFIJA-OAHLLOKOSA-N 1 0 269.388 4.154 50 0 CIAARO c1ccc2c[n+](Cc3cccc4ccccc43)ccc2c1 ZINC000005949282 170160880 /nfs/dbraw/zinc/16/08/80/170160880.db2.gz RHVXPGAGYRPHOR-UHFFFAOYSA-N 1 0 270.355 4.329 50 0 CIAARO COC(=O)c1ccc(Nc2cc(C)[nH+]c3ccccc23)cc1 ZINC000006043952 170171461 /nfs/dbraw/zinc/17/14/61/170171461.db2.gz FGIVPSPMBRNHEY-UHFFFAOYSA-N 1 0 292.338 4.073 50 0 CIAARO C[NH+](C)Cc1ccccc1Sc1ccc(F)c(F)c1 ZINC000006177276 170180804 /nfs/dbraw/zinc/18/08/04/170180804.db2.gz SZGJCLPNCKTFDQ-UHFFFAOYSA-N 1 0 279.355 4.178 50 0 CIAARO CCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000006430958 170200946 /nfs/dbraw/zinc/20/09/46/170200946.db2.gz XGKKCNHVABPDIL-UHFFFAOYSA-N 1 0 289.806 4.419 50 0 CIAARO CC[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000006497345 170207319 /nfs/dbraw/zinc/20/73/19/170207319.db2.gz JLTHBGJRSVNTSA-UHFFFAOYSA-N 1 0 275.779 4.029 50 0 CIAARO Fc1ccccc1C[NH2+]CCCSc1ccccc1 ZINC000006602846 170218411 /nfs/dbraw/zinc/21/84/11/170218411.db2.gz YUBQDXVPTKHGTE-UHFFFAOYSA-N 1 0 275.392 4.098 50 0 CIAARO Cc1cccc(-c2c3ccccc3[nH]c2CCCC[NH3+])c1 ZINC000006658293 170223202 /nfs/dbraw/zinc/22/32/02/170223202.db2.gz HKLRRJYXOHYNFG-UHFFFAOYSA-N 1 0 278.399 4.425 50 0 CIAARO Fc1ccc(C(c2ccc(F)cc2)=C2CC[NH2+]CC2)cc1 ZINC000006661550 170223760 /nfs/dbraw/zinc/22/37/60/170223760.db2.gz KNNQGZBGAQFPCY-UHFFFAOYSA-N 1 0 285.337 4.150 50 0 CIAARO CC(C)C[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000006883636 170252952 /nfs/dbraw/zinc/25/29/52/170252952.db2.gz NSBDDFWPVYQKDM-UHFFFAOYSA-N 1 0 263.768 4.346 50 0 CIAARO Clc1ccccc1C[NH2+]C/C=C/c1ccccc1 ZINC000006889620 170253624 /nfs/dbraw/zinc/25/36/24/170253624.db2.gz RNGMTKWFXRIVDT-RMKNXTFCSA-N 1 0 257.764 4.143 50 0 CIAARO CCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000007262387 170274363 /nfs/dbraw/zinc/27/43/63/170274363.db2.gz WLBHYXIJPLOHJZ-UHFFFAOYSA-N 1 0 294.192 4.209 50 0 CIAARO CCOc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1OC ZINC000007521251 170288548 /nfs/dbraw/zinc/28/85/48/170288548.db2.gz GVABMXCHJKPSTR-UHFFFAOYSA-N 1 0 293.451 4.398 50 0 CIAARO CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000007538999 170290150 /nfs/dbraw/zinc/29/01/50/170290150.db2.gz NITCGEPSWYIOEA-UHFFFAOYSA-N 1 0 270.159 4.363 50 0 CIAARO CCOc1ccc2ccccc2c1C[NH2+][C@@H](C)CC ZINC000008326616 170331478 /nfs/dbraw/zinc/33/14/78/170331478.db2.gz JAWVSTMHJKUHKK-ZDUSSCGKSA-N 1 0 257.377 4.127 50 0 CIAARO CCOc1cccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000008325187 170331508 /nfs/dbraw/zinc/33/15/08/170331508.db2.gz UBZSRFOBOQYLCK-UHFFFAOYSA-N 1 0 285.431 4.144 50 0 CIAARO CCCC[N@H+](C)Cc1c(C)[nH]c2c(C)c(C)ccc2c1=O ZINC000008714060 170348508 /nfs/dbraw/zinc/34/85/08/170348508.db2.gz CRDGDOHXBSZNAL-UHFFFAOYSA-N 1 0 286.419 4.098 50 0 CIAARO CCc1ccc2[nH]c(C)c(C[N@@H+]3CCCC[C@@H]3C)c(=O)c2c1 ZINC000008714146 170348658 /nfs/dbraw/zinc/34/86/58/170348658.db2.gz FYLWPXQLUDPAKD-ZDUSSCGKSA-N 1 0 298.430 4.186 50 0 CIAARO CCC[NH+](CCC)Cc1c(C)[nH]c2ccc(F)cc2c1=O ZINC000008717108 170349372 /nfs/dbraw/zinc/34/93/72/170349372.db2.gz PVPTUGUBJOLNKD-UHFFFAOYSA-N 1 0 290.382 4.010 50 0 CIAARO CCOc1ccccc1C[N@H+](CC)Cc1ccccc1 ZINC000009553850 170381386 /nfs/dbraw/zinc/38/13/86/170381386.db2.gz RXBRFIGUMRNGSG-UHFFFAOYSA-N 1 0 269.388 4.107 50 0 CIAARO Cc1ccc(COc2cccc(C[NH2+]C(C)C)c2)cc1 ZINC000010436343 170406723 /nfs/dbraw/zinc/40/67/23/170406723.db2.gz UZNCZOVGRRBWCA-UHFFFAOYSA-N 1 0 269.388 4.072 50 0 CIAARO COc1ccccc1[C@@H](CC[NH2+]Cc1ccco1)C(C)C ZINC000013684638 170578222 /nfs/dbraw/zinc/57/82/22/170578222.db2.gz FBRMVAZDJSSLEE-INIZCTEOSA-N 1 0 287.403 4.208 50 0 CIAARO C[C@@H](CCc1ccccc1)[NH2+]C[C@@H](C)c1ccccc1 ZINC000013718477 170581358 /nfs/dbraw/zinc/58/13/58/170581358.db2.gz UXGINOTUXUWUNC-SJORKVTESA-N 1 0 267.416 4.401 50 0 CIAARO Clc1ccc(Cl)c(C[NH2+]Cc2ccccc2)c1 ZINC000020423562 171190418 /nfs/dbraw/zinc/19/04/18/171190418.db2.gz DUGNVSDHLPCBIE-UHFFFAOYSA-N 1 0 266.171 4.283 50 0 CIAARO CC[C@H](C)c1ccccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000020593605 171263147 /nfs/dbraw/zinc/26/31/47/171263147.db2.gz OTSZIGMPFSZFLQ-GJZGRUSLSA-N 1 0 261.409 4.111 50 0 CIAARO CCCOc1cccc(C[NH2+][C@@H](C)c2ccccc2)c1 ZINC000020924762 171280029 /nfs/dbraw/zinc/28/00/29/171280029.db2.gz JIHLTKAJSDVBLH-HNNXBMFYSA-N 1 0 269.388 4.326 50 0 CIAARO CCCOc1ccccc1C[NH2+][C@H](C)c1ccccc1 ZINC000020924348 171280066 /nfs/dbraw/zinc/28/00/66/171280066.db2.gz MREWIUAEWUGLEO-OAHLLOKOSA-N 1 0 269.388 4.326 50 0 CIAARO CCCOc1ccc(Cl)cc1C[NH2+]C1CCCC1 ZINC000020928755 171280381 /nfs/dbraw/zinc/28/03/81/171280381.db2.gz KGURSAWRFKWLKV-UHFFFAOYSA-N 1 0 267.800 4.161 50 0 CIAARO COc1c(Cl)cc(C[NH2+]C2CCCC2)cc1Cl ZINC000020928296 171280393 /nfs/dbraw/zinc/28/03/93/171280393.db2.gz RHQGKOWIOVVCLK-UHFFFAOYSA-N 1 0 274.191 4.034 50 0 CIAARO CCCCC[NH2+]Cc1cc(Cl)c(OC)c(Cl)c1 ZINC000020928379 171280417 /nfs/dbraw/zinc/28/04/17/171280417.db2.gz WPWLIMPRLZIKHA-UHFFFAOYSA-N 1 0 276.207 4.282 50 0 CIAARO COc1c(Cl)cc(C[NH2+]CCC(C)C)cc1Cl ZINC000020928643 171280422 /nfs/dbraw/zinc/28/04/22/171280422.db2.gz XMOZNMXQNZKFMF-UHFFFAOYSA-N 1 0 276.207 4.138 50 0 CIAARO CCCOc1ccc(C[NH2+]Cc2ccccc2)cc1Cl ZINC000020925364 171280601 /nfs/dbraw/zinc/28/06/01/171280601.db2.gz HZYURSHLHDTPGZ-UHFFFAOYSA-N 1 0 289.806 4.419 50 0 CIAARO CCCOc1ccc(C[NH2+]C2CCCCC2)cc1OCC ZINC000020933137 171280895 /nfs/dbraw/zinc/28/08/95/171280895.db2.gz YBDWXKZRLAKJGZ-UHFFFAOYSA-N 1 0 291.435 4.296 50 0 CIAARO CCCC[NH2+]Cc1cc(Cl)c(OCCC)c(OC)c1 ZINC000020931403 171280946 /nfs/dbraw/zinc/28/09/46/171280946.db2.gz HPPCBLXEWBLUKO-UHFFFAOYSA-N 1 0 285.815 4.027 50 0 CIAARO Clc1cccc(Cl)c1C[NH2+]CCc1ccccc1 ZINC000021046271 171294144 /nfs/dbraw/zinc/29/41/44/171294144.db2.gz AJYJGTVCJWGEMR-UHFFFAOYSA-N 1 0 280.198 4.326 50 0 CIAARO CSc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1 ZINC000021164254 171298880 /nfs/dbraw/zinc/29/88/80/171298880.db2.gz SQTZHFYGEYJNHL-KRWDZBQOSA-N 1 0 294.423 4.125 50 0 CIAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccccc1F ZINC000021720908 171320447 /nfs/dbraw/zinc/32/04/47/171320447.db2.gz FKWWIBFCGZYWFU-HNNXBMFYSA-N 1 0 288.366 4.022 50 0 CIAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1 ZINC000021720964 171320463 /nfs/dbraw/zinc/32/04/63/171320463.db2.gz TURGROVMARVTHV-INIZCTEOSA-N 1 0 284.403 4.191 50 0 CIAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000021720668 171321122 /nfs/dbraw/zinc/32/11/22/171321122.db2.gz OZDYNBICFWUMGT-HNNXBMFYSA-N 1 0 290.794 4.282 50 0 CIAARO Cc1cc(C)c([C@@H](N)[C@H]([NH3+])c2c(C)cc(C)cc2C)c(C)c1 ZINC000022036266 171350319 /nfs/dbraw/zinc/35/03/19/171350319.db2.gz ILMRHFMYIXTNMC-WOJBJXKFSA-N 1 0 296.458 4.237 50 0 CIAARO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cccc2cccnc21 ZINC000022516264 171389621 /nfs/dbraw/zinc/38/96/21/171389621.db2.gz BNFSBQJGXQUPGG-CYBMUJFWSA-N 1 0 294.423 4.416 50 0 CIAARO C[C@H]1c2ccsc2CC[N@H+]1Cc1cccc2cccnc21 ZINC000022516260 171389941 /nfs/dbraw/zinc/38/99/41/171389941.db2.gz BNFSBQJGXQUPGG-ZDUSSCGKSA-N 1 0 294.423 4.416 50 0 CIAARO CC[NH+](CC)Cn1c2ccccc2c2ccccc21 ZINC000025668332 171463380 /nfs/dbraw/zinc/46/33/80/171463380.db2.gz YBDMKJKMYWFUIF-UHFFFAOYSA-N 1 0 252.361 4.094 50 0 CIAARO CCC[NH2+]Cc1cc(Cl)cc(Cl)c1OC(C)C ZINC000035662116 172340528 /nfs/dbraw/zinc/34/05/28/172340528.db2.gz YXBGFYMVZFCLBE-UHFFFAOYSA-N 1 0 276.207 4.280 50 0 CIAARO CC(C)Oc1ccc(C[NH2+]CCC2=CCCCC2)cc1 ZINC000037216762 173035594 /nfs/dbraw/zinc/03/55/94/173035594.db2.gz LTTVEISORYZTSU-UHFFFAOYSA-N 1 0 273.420 4.454 50 0 CIAARO CC(C)CC[N@@H+]1CCCn2cccc2[C@@H]1c1ccccc1 ZINC000037522636 173250741 /nfs/dbraw/zinc/25/07/41/173250741.db2.gz REWMOKVQQSITEN-IBGZPJMESA-N 1 0 282.431 4.329 50 0 CIAARO CCn1c(C[NH2+]C(C)(C)CC(C)(C)C)nc2ccccc21 ZINC000038046830 174056294 /nfs/dbraw/zinc/05/62/94/174056294.db2.gz WEPYCDWERCLGHL-UHFFFAOYSA-N 1 0 287.451 4.361 50 0 CIAARO CC[NH2+][C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000038071437 174082262 /nfs/dbraw/zinc/08/22/62/174082262.db2.gz DHBPXIAWWNHYCA-ZDUSSCGKSA-N 1 0 255.361 4.033 50 0 CIAARO C[NH2+][C@H](C)c1cccc(-c2ccc(OC(C)C)cc2)c1 ZINC000038073462 174083425 /nfs/dbraw/zinc/08/34/25/174083425.db2.gz GSUWBZHRSDPBCZ-CQSZACIVSA-N 1 0 269.388 4.421 50 0 CIAARO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1cccc2ccccc21 ZINC000038095390 174108634 /nfs/dbraw/zinc/10/86/34/174108634.db2.gz PKHJPJFTROQFMV-HOCLYGCPSA-N 1 0 269.388 4.060 50 0 CIAARO CCCOc1c(C[NH2+]C2CCCC2)cc(Cl)cc1OC ZINC000040722174 174385271 /nfs/dbraw/zinc/38/52/71/174385271.db2.gz OVPGGSTYVJXBNV-UHFFFAOYSA-N 1 0 297.826 4.170 50 0 CIAARO CC[C@H](C)[NH2+]Cc1ccc(OCc2cccc(C)c2)cc1 ZINC000040722636 174385556 /nfs/dbraw/zinc/38/55/56/174385556.db2.gz MYRNFOMAQYKANP-INIZCTEOSA-N 1 0 283.415 4.462 50 0 CIAARO COc1ccc(C[NH2+]CCC2=CCCCC2)cc1Cl ZINC000040722081 174385564 /nfs/dbraw/zinc/38/55/64/174385564.db2.gz FNVDVHJCPAYFMN-UHFFFAOYSA-N 1 0 279.811 4.329 50 0 CIAARO CCOc1cc(C[NH2+]Cc2ccccc2)ccc1OC(C)C ZINC000040728640 174387823 /nfs/dbraw/zinc/38/78/23/174387823.db2.gz DDBINDUGDIIFMH-UHFFFAOYSA-N 1 0 299.414 4.162 50 0 CIAARO CCC[NH2+]Cc1cc(Cl)c(OC(C)C)c(OCC)c1 ZINC000040729215 174388210 /nfs/dbraw/zinc/38/82/10/174388210.db2.gz UVZZDDAHDKKPSC-UHFFFAOYSA-N 1 0 285.815 4.026 50 0 CIAARO c1ccc(-c2ccc(COCC[C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000042771993 174871459 /nfs/dbraw/zinc/87/14/59/174871459.db2.gz XFMIIXIPYOGNLX-QGZVFWFLSA-N 1 0 295.426 4.260 50 0 CIAARO CC(C)C[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000057353080 175593967 /nfs/dbraw/zinc/59/39/67/175593967.db2.gz IDCOFLDTXUFDLX-UHFFFAOYSA-N 1 0 292.426 4.435 50 0 CIAARO C[C@H]([NH2+]Cc1ccc(Cl)nc1)c1ccccc1Cl ZINC000072242338 176349328 /nfs/dbraw/zinc/34/93/28/176349328.db2.gz UQFORQDOKJEPCS-JTQLQIEISA-N 1 0 281.186 4.239 50 0 CIAARO Cc1noc(C)c1C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000076805043 177099814 /nfs/dbraw/zinc/09/98/14/177099814.db2.gz WJQOCYIIXHPLSH-OAHLLOKOSA-N 1 0 274.364 4.002 50 0 CIAARO Cc1noc(C)c1C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000076805048 177099999 /nfs/dbraw/zinc/09/99/99/177099999.db2.gz WJQOCYIIXHPLSH-HNNXBMFYSA-N 1 0 274.364 4.002 50 0 CIAARO Oc1cccc2c1CCC[C@H]2[NH2+]Cc1ccc2occc2c1 ZINC000352708914 227179377 /nfs/dbraw/zinc/17/93/77/227179377.db2.gz YODWQFOBZRLZHV-QGZVFWFLSA-N 1 0 293.366 4.306 50 0 CIAARO C[C@@H]([NH2+]Cc1cc(Br)cs1)c1ccccc1 ZINC000020305862 260118081 /nfs/dbraw/zinc/11/80/81/260118081.db2.gz SHLPVULAGMFZAX-SNVBAGLBSA-N 1 0 296.233 4.361 50 0 CIAARO C[C@@H]([NH2+][C@@H](CC1CCC1)c1ccccc1)c1ccn(C)n1 ZINC000414117325 262812323 /nfs/dbraw/zinc/81/23/23/262812323.db2.gz ZEQBBVBQKFCNMV-KDOFPFPSSA-N 1 0 283.419 4.002 50 0 CIAARO C[C@H](CC(C)(C)c1ccccc1)[NH2+]Cc1ccoc1 ZINC000134286260 334086864 /nfs/dbraw/zinc/08/68/64/334086864.db2.gz NFDIQZMUDDQCQT-CQSZACIVSA-N 1 0 257.377 4.126 50 0 CIAARO C(=C/c1ccccc1)\C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000012206373 518372525 /nfs/dbraw/zinc/37/25/25/518372525.db2.gz ABRZVFVJDZJSCD-WUTDNEBXSA-N 1 0 292.426 4.276 50 0 CIAARO Clc1ccc(COc2cccc(C[NH2+]C3CC3)c2)cc1 ZINC000016399534 534639850 /nfs/dbraw/zinc/63/98/50/534639850.db2.gz WAFWLTJHLKMYML-UHFFFAOYSA-N 1 0 287.790 4.171 50 0 CIAARO CC(=O)c1ccc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)nc1 ZINC000426678095 527219277 /nfs/dbraw/zinc/21/92/77/527219277.db2.gz LBKKOOYONXGGAF-CQSZACIVSA-N 1 0 294.398 4.108 50 0 CIAARO CCOc1cc(C[NH2+]C(C)(C)CC)cc(Cl)c1OCC ZINC000013724876 567867634 /nfs/dbraw/zinc/86/76/34/567867634.db2.gz PUWCTOFARDJVJE-UHFFFAOYSA-N 1 0 299.842 4.416 50 0 CIAARO CCCCn1c[n+](COC2CCCCC2)c2ccccc21 ZINC000230519895 566822909 /nfs/dbraw/zinc/82/29/09/566822909.db2.gz SRHMBLMQOPIXEX-UHFFFAOYSA-N 1 0 287.427 4.036 50 0 CIAARO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000035015145 566842864 /nfs/dbraw/zinc/84/28/64/566842864.db2.gz QKHGLSBTEYKATR-LSDHHAIUSA-N 1 0 259.393 4.011 50 0 CIAARO CC1=CC[C@@H]2[C@@H](C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]23)C1 ZINC000004027357 566855528 /nfs/dbraw/zinc/85/55/28/566855528.db2.gz GOVTWXUTTQVUJX-LPMFXHHGSA-N 1 0 278.399 4.053 50 0 CIAARO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000248061750 566905809 /nfs/dbraw/zinc/90/58/09/566905809.db2.gz DDUUBOPACZXWGO-ATNYBXOESA-N 1 0 275.436 4.128 50 0 CIAARO c1ccc2c(c1)[nH]c1c2CCC[N@@H+]2C[C@@H]3CC=CC[C@H]3[C@H]12 ZINC000247440947 566960195 /nfs/dbraw/zinc/96/01/95/566960195.db2.gz XGOIUNFXMAIFSF-IQUTYRLHSA-N 1 0 278.399 4.053 50 0 CIAARO CC[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@]1(C)O ZINC000239309375 566965636 /nfs/dbraw/zinc/96/56/36/566965636.db2.gz HLZZWYXFUPJRKG-ZRNYENFQSA-N 1 0 295.426 4.240 50 0 CIAARO C[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H](C)[C@@]1(C)O ZINC000245232148 566969268 /nfs/dbraw/zinc/96/92/68/566969268.db2.gz PPULLACTYCCYOK-LQQYDMKDSA-N 1 0 295.426 4.095 50 0 CIAARO CC(C)c1ccc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)nn1 ZINC000426491383 566987808 /nfs/dbraw/zinc/98/78/08/566987808.db2.gz HEJSSKRQKXMLSI-HNNXBMFYSA-N 1 0 295.430 4.424 50 0 CIAARO Cc1scnc1C[N@@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000426405112 566988626 /nfs/dbraw/zinc/98/86/26/566988626.db2.gz IEWMADVDMFRXDK-HNNXBMFYSA-N 1 0 286.444 4.077 50 0 CIAARO CC(C)c1ccc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)nn1 ZINC000426491384 566989268 /nfs/dbraw/zinc/98/92/68/566989268.db2.gz HEJSSKRQKXMLSI-OAHLLOKOSA-N 1 0 295.430 4.424 50 0 CIAARO Cc1noc(C)c1C[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000036994782 567009810 /nfs/dbraw/zinc/00/98/10/567009810.db2.gz BUTXZOOHUVLTPK-MRXNPFEDSA-N 1 0 272.392 4.168 50 0 CIAARO CC(C)[C@@H](CC[NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccco1 ZINC000002098136 567042512 /nfs/dbraw/zinc/04/25/12/567042512.db2.gz IHVFADSYBVMSHU-HZPDHXFCSA-N 1 0 293.451 4.204 50 0 CIAARO COc1ccccc1[C@@H](Cc1ccccc1)[NH+]1CCCCC1 ZINC000145040016 567093187 /nfs/dbraw/zinc/09/31/87/567093187.db2.gz QXXCUXIRBHSITD-LJQANCHMSA-N 1 0 295.426 4.465 50 0 in-vitro CIAARO C(=C\c1ccccc1)\CN1CC[NH+](C2CCCCCC2)CC1 ZINC000019363710 567120946 /nfs/dbraw/zinc/12/09/46/567120946.db2.gz MGTMDZNMDVENFM-FLIBITNWSA-N 1 0 298.474 4.040 50 0 CIAARO Cc1cccc([C@@H]2CCCC[N@@H+]2C2CCOCC2)c1C ZINC000095457125 567132969 /nfs/dbraw/zinc/13/29/69/567132969.db2.gz VOFNPIGJHFXMGT-SFHVURJKSA-N 1 0 273.420 4.009 50 0 CIAARO COc1ccc2cc([C@H](C)[NH2+][C@H]3CCO[C@@H](C)C3)ccc2c1 ZINC000095459389 567134231 /nfs/dbraw/zinc/13/42/31/567134231.db2.gz KAKZJSMFJAMEHX-DEYYWGMASA-N 1 0 299.414 4.067 50 0 CIAARO COc1ccc2cc([C@H](C)[NH2+][C@H]3CCO[C@H](C)C3)ccc2c1 ZINC000095459388 567134512 /nfs/dbraw/zinc/13/45/12/567134512.db2.gz KAKZJSMFJAMEHX-GLJUWKHASA-N 1 0 299.414 4.067 50 0 CIAARO C[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccccc1 ZINC000095447466 567134766 /nfs/dbraw/zinc/13/47/66/567134766.db2.gz ZZUGFYPGUXESIW-KSSFIOAISA-N 1 0 251.373 4.100 50 0 CIAARO c1ccc(SCCC[NH+]2CC3CCC(CC3)C2)cc1 ZINC000096027421 567138037 /nfs/dbraw/zinc/13/80/37/567138037.db2.gz GCVRMRCWCFWFLZ-UHFFFAOYSA-N 1 0 275.461 4.291 50 0 CIAARO Cc1ccccc1C(=O)CCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000096027811 567138269 /nfs/dbraw/zinc/13/82/69/567138269.db2.gz PWXGXWMVQVIOIY-HOTGVXAUSA-N 1 0 273.420 4.221 50 0 CIAARO Cc1ccccc1C(=O)CCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000096027812 567138416 /nfs/dbraw/zinc/13/84/16/567138416.db2.gz PWXGXWMVQVIOIY-HZPDHXFCSA-N 1 0 273.420 4.221 50 0 CIAARO CC1(C)C[NH+](Cc2ccc(Br)cc2)CC1(C)C ZINC000096026605 567139006 /nfs/dbraw/zinc/13/90/06/567139006.db2.gz MEMRRUCKOQGOCG-UHFFFAOYSA-N 1 0 296.252 4.317 50 0 CIAARO Cc1ccccc1SCCC[NH2+]CCC(C)C ZINC000096026811 567139153 /nfs/dbraw/zinc/13/91/53/567139153.db2.gz KVWZIZAICIEJNJ-UHFFFAOYSA-N 1 0 251.439 4.113 50 0 CIAARO C[C@@H](c1cccc(Br)c1)[NH+]1CCC(C)CC1 ZINC000133358068 567180266 /nfs/dbraw/zinc/18/02/66/567180266.db2.gz JLDXRRHIRAJSRF-LBPRGKRZSA-N 1 0 282.225 4.242 50 0 CIAARO CCC[NH2+]CCO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000004167813 567189103 /nfs/dbraw/zinc/18/91/03/567189103.db2.gz FHXNPBGVNLTATJ-IBGZPJMESA-N 1 0 283.415 4.101 50 0 CIAARO COc1ccccc1C1CC[NH+](Cc2ccccc2)CC1 ZINC000000087264 567817919 /nfs/dbraw/zinc/81/79/19/567817919.db2.gz JFBRSCMBKQCBSZ-UHFFFAOYSA-N 1 0 281.399 4.075 50 0 CIAARO CO[PH+](N(C(C)C)C(C)C)N(C(C)C)C(C)C ZINC000000156939 567820680 /nfs/dbraw/zinc/82/06/80/567820680.db2.gz YFYBXOIQXOOUCI-UHFFFAOYSA-N 1 0 262.378 4.097 50 0 CIAARO Cc1[nH+]c2cc(NCc3ccc(Cl)cc3)ccc2n1C ZINC000000237843 567822843 /nfs/dbraw/zinc/82/28/43/567822843.db2.gz OECZVBJQWGUDON-UHFFFAOYSA-N 1 0 285.778 4.147 50 0 CIAARO C[NH+](C)Cc1ccccc1Sc1ccccc1F ZINC000000346626 567826105 /nfs/dbraw/zinc/82/61/05/567826105.db2.gz DGIXGFLLPLFEJD-UHFFFAOYSA-N 1 0 261.365 4.039 50 0 CIAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3[C@@H]1CC=C(C)CC1 ZINC000000386492 567828503 /nfs/dbraw/zinc/82/85/03/567828503.db2.gz CBURKUOQISWBOD-ACJLOTCBSA-N 1 0 296.414 4.110 50 0 CIAARO C[n+]1c2ccccc2sc1SCc1ccccc1 ZINC000000404970 567829385 /nfs/dbraw/zinc/82/93/85/567829385.db2.gz JKYJRDPGXMGXJW-UHFFFAOYSA-N 1 0 272.418 4.018 50 0 CIAARO CCCn1c2ccccc2nc1NCc1cccs1 ZINC000000436066 567829905 /nfs/dbraw/zinc/82/99/05/567829905.db2.gz WSXLZUGLCRRZGR-UHFFFAOYSA-N 1 0 271.389 4.120 50 0 CIAARO CC(C)(C)[C@@H]1C[N@@H+](C(C)(C)C)C[C@](O)(c2ccccc2)C1 ZINC000000758714 567834642 /nfs/dbraw/zinc/83/46/42/567834642.db2.gz JXFJOPCGNKFADS-LPHOPBHVSA-N 1 0 289.463 4.041 50 0 CIAARO C[n+]1c(/C=C/C=C/c2ccccc2)sc2ccccc21 ZINC000001706254 567842258 /nfs/dbraw/zinc/84/22/58/567842258.db2.gz ICSAXDKCCTYWSW-XMGZOKRTSA-N 1 0 278.400 4.452 50 0 CIAARO C[NH2+]CC[C@H]1Sc2ccccc2Oc2ccccc21 ZINC000002021869 567843998 /nfs/dbraw/zinc/84/39/98/567843998.db2.gz KZSNBUJWVBNROD-OAHLLOKOSA-N 1 0 271.385 4.235 50 0 CIAARO [NH3+]C[C@H](c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000002386705 567845867 /nfs/dbraw/zinc/84/58/67/567845867.db2.gz RUQWNHGVURDYAM-CQSZACIVSA-N 1 0 266.171 4.084 50 0 CIAARO Cc1ccc(-c2[nH]c3ccccc3c2SCC[NH3+])cc1 ZINC000002455193 567846018 /nfs/dbraw/zinc/84/60/18/567846018.db2.gz NIHAVSQKGMJQLB-UHFFFAOYSA-N 1 0 282.412 4.194 50 0 CIAARO O=C(c1cccc(F)c1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000002515009 567846135 /nfs/dbraw/zinc/84/61/35/567846135.db2.gz DVHVOCYNZZGSIR-UHFFFAOYSA-N 1 0 297.373 4.043 50 0 CIAARO CC[C@H](C)[NH2+]CCCCOc1ccccc1OC(C)C ZINC000002823725 567849578 /nfs/dbraw/zinc/84/95/78/567849578.db2.gz ZTFKGWCEPVBHRI-HNNXBMFYSA-N 1 0 279.424 4.021 50 0 CIAARO CCCC[NH2+]CCCCCOc1cc(C)cc(C)c1 ZINC000002899289 567850296 /nfs/dbraw/zinc/85/02/96/567850296.db2.gz IBCCCFGBWYNBLV-UHFFFAOYSA-N 1 0 263.425 4.242 50 0 CIAARO c1ccc2c(c1)cccc2OCCC[NH+]1CCCCC1 ZINC000002885578 567850380 /nfs/dbraw/zinc/85/03/80/567850380.db2.gz GQLWDCLDJDVQME-UHFFFAOYSA-N 1 0 269.388 4.095 50 0 CIAARO CC[C@@H](C)c1ccccc1OCCC[NH+]1CCCCC1 ZINC000003001107 567851078 /nfs/dbraw/zinc/85/10/78/567851078.db2.gz DXZRARRTRLGRGC-MRXNPFEDSA-N 1 0 275.436 4.455 50 0 CIAARO CCCC[NH2+]CCCOc1ccc([C@H](C)CC)cc1 ZINC000003002189 567851450 /nfs/dbraw/zinc/85/14/50/567851450.db2.gz BTHBJCZQGLIASD-OAHLLOKOSA-N 1 0 263.425 4.359 50 0 CIAARO c1ccc(Oc2cccc([C@H]3CCCC[NH2+]3)c2)cc1 ZINC000003734694 567853703 /nfs/dbraw/zinc/85/37/03/567853703.db2.gz XCEHUGGGSSQBKS-QGZVFWFLSA-N 1 0 253.345 4.294 50 0 CIAARO Cc1ccc([C@@H]2[NH2+]CCc3c4cc(C)ccc4[nH]c32)cc1 ZINC000003736419 567853772 /nfs/dbraw/zinc/85/37/72/567853772.db2.gz MKXIPSOZLXGOFM-SFHVURJKSA-N 1 0 276.383 4.020 50 0 CIAARO Cc1cc(SCC[NH+]2CCCCC2)nc2ccccc12 ZINC000004126207 567855334 /nfs/dbraw/zinc/85/53/34/567855334.db2.gz JJSXFLWLPGRLSF-UHFFFAOYSA-N 1 0 286.444 4.121 50 0 CIAARO c1ccc([C@H]2[NH2+]CC3(CCCC3)c3ccccc32)cc1 ZINC000019789195 567860064 /nfs/dbraw/zinc/86/00/64/567860064.db2.gz MFYDBKIIEQPSAM-GOSISDBHSA-N 1 0 263.384 4.191 50 0 CIAARO CC(C)[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000010435803 567861321 /nfs/dbraw/zinc/86/13/21/567861321.db2.gz RRRPLMIQRWCSJX-UHFFFAOYSA-N 1 0 289.806 4.417 50 0 CIAARO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCCC[C@@H]1C ZINC000012597302 567863981 /nfs/dbraw/zinc/86/39/81/567863981.db2.gz YBJZPUIBFXVIHX-NSHDSACASA-N 1 0 276.405 4.086 50 0 CIAARO CCC[C@@H]1[C@H](O)C[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000013563681 567866759 /nfs/dbraw/zinc/86/67/59/567866759.db2.gz YVHNHXUETQZHOA-IYWMVGAKSA-N 1 0 295.426 4.240 50 0 CIAARO Clc1ccc(CC[NH2+]CC2CCCCC2)cc1 ZINC000013718564 567867406 /nfs/dbraw/zinc/86/74/06/567867406.db2.gz QATBNCWSZVQLHW-UHFFFAOYSA-N 1 0 251.801 4.052 50 0 CIAARO Cc1ccc2cc(C[NH+]3CCCCC3)c(Cl)nc2c1 ZINC000032739706 567867624 /nfs/dbraw/zinc/86/76/24/567867624.db2.gz UKPDOYPCISVORS-UHFFFAOYSA-N 1 0 274.795 4.183 50 0 CIAARO CCOc1c(C[NH2+]C(C)(C)CC)cc(Cl)cc1OC ZINC000013725136 567867630 /nfs/dbraw/zinc/86/76/30/567867630.db2.gz CHNQLAVFUXGPED-UHFFFAOYSA-N 1 0 285.815 4.026 50 0 CIAARO CCCCOCCC[NH2+]Cc1cc(Cl)ccc1OCC ZINC000013719836 567867632 /nfs/dbraw/zinc/86/76/32/567867632.db2.gz IVRMNADHMPENRW-UHFFFAOYSA-N 1 0 299.842 4.035 50 0 CIAARO CCCCOCCC[NH2+]Cc1c(Cl)cccc1Cl ZINC000013719580 567867648 /nfs/dbraw/zinc/86/76/48/567867648.db2.gz WWCUBHLWTDOLDK-UHFFFAOYSA-N 1 0 290.234 4.290 50 0 CIAARO CC(C)(c1ccccc1)c1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC000014631747 567869567 /nfs/dbraw/zinc/86/95/67/567869567.db2.gz NABYPWVYDRNGGY-LJQANCHMSA-N 1 0 295.426 4.143 50 0 CIAARO CCCc1cc([C@@H]2CCCN2Cc2ccc(C)s2)no1 ZINC000015866865 567871578 /nfs/dbraw/zinc/87/15/78/567871578.db2.gz JZAWVNOSVZUJOI-INIZCTEOSA-N 1 0 290.432 4.334 50 0 CIAARO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)o2)cc1 ZINC000037489243 567876654 /nfs/dbraw/zinc/87/66/54/567876654.db2.gz KQYTWAQAZYPHCP-NSHDSACASA-N 1 0 279.767 4.183 50 0 CIAARO FC(F)(F)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019537052 567878145 /nfs/dbraw/zinc/87/81/45/567878145.db2.gz ZULRWSJUZFGHIL-UHFFFAOYSA-N 1 0 291.316 4.264 50 0 CIAARO Clc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1 ZINC000019688768 567878370 /nfs/dbraw/zinc/87/83/70/567878370.db2.gz ILKMFTINEKPIRM-INIZCTEOSA-N 1 0 282.774 4.056 50 0 CIAARO CCCCOc1ccccc1C[NH2+]Cc1ccc(OC)cc1 ZINC000019737652 567878553 /nfs/dbraw/zinc/87/85/53/567878553.db2.gz YWGRSMJWXRKSOY-UHFFFAOYSA-N 1 0 299.414 4.164 50 0 CIAARO Cc1cc(C)cc(OCC[NH2+][C@@H](C)c2ccccc2)c1 ZINC000019737850 567878702 /nfs/dbraw/zinc/87/87/02/567878702.db2.gz XZFHCAJZWLGQRA-INIZCTEOSA-N 1 0 269.388 4.033 50 0 CIAARO Cc1ccc([C@@H]2[NH2+]CCc3c4cc(Cl)ccc4[nH]c32)cc1 ZINC000019957854 567879954 /nfs/dbraw/zinc/87/99/54/567879954.db2.gz HXOMGWYMKDFJHO-KRWDZBQOSA-N 1 0 296.801 4.365 50 0 CIAARO Fc1ccc(C[NH2+]C2CCCCC2)c(Br)c1 ZINC000020035663 567880434 /nfs/dbraw/zinc/88/04/34/567880434.db2.gz AAJADZGXTPMJTN-UHFFFAOYSA-N 1 0 286.188 4.011 50 0 CIAARO [NH3+][C@@H](c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000019968817 567880595 /nfs/dbraw/zinc/88/05/95/567880595.db2.gz STBXRUBEQIEIKX-CYBMUJFWSA-N 1 0 257.299 4.286 50 0 CIAARO CCCC[NH2+]Cc1ccccc1OCc1ccccc1C ZINC000032129464 567885861 /nfs/dbraw/zinc/88/58/61/567885861.db2.gz YNNFACCUYBUWSZ-UHFFFAOYSA-N 1 0 283.415 4.464 50 0 CIAARO Cc1ccc(C[NH2+]Cc2ccccc2OC(C)C)cc1 ZINC000032117760 567886061 /nfs/dbraw/zinc/88/60/61/567886061.db2.gz CAJSOGOEMHPAQT-UHFFFAOYSA-N 1 0 269.388 4.072 50 0 CIAARO CC[NH+](CC)CCCOc1c(C)cc(Cl)cc1C ZINC000002901194 567888221 /nfs/dbraw/zinc/88/82/21/567888221.db2.gz AQLCQKIRNLJUGA-UHFFFAOYSA-N 1 0 269.816 4.068 50 0 CIAARO CCOc1ccccc1C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000022023230 567888250 /nfs/dbraw/zinc/88/82/50/567888250.db2.gz VWAIFCRILJHZSY-SFHVURJKSA-N 1 0 296.414 4.208 50 0 CIAARO CC(C)Oc1ccc(Cl)cc1C[NH2+]Cc1cccs1 ZINC000040730327 567890782 /nfs/dbraw/zinc/89/07/82/567890782.db2.gz UOVPIDUGXWLCEX-UHFFFAOYSA-N 1 0 295.835 4.479 50 0 CIAARO CC(C)[NH2+]Cc1cc(Cl)c(OC(C)C)c(Cl)c1 ZINC000040730762 567890927 /nfs/dbraw/zinc/89/09/27/567890927.db2.gz WZBLWBNVTXXMPI-UHFFFAOYSA-N 1 0 276.207 4.279 50 0 CIAARO CC(C)c1ccc(OCC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042770778 567891517 /nfs/dbraw/zinc/89/15/17/567891517.db2.gz QNKCPJXBABKVLL-CYBMUJFWSA-N 1 0 281.827 4.232 50 0 CIAARO CC(C)(C)c1ccc(COCC[C@H]2CCCC[NH2+]2)cc1 ZINC000042772026 567891577 /nfs/dbraw/zinc/89/15/77/567891577.db2.gz JGIVDEKJOKVHKK-QGZVFWFLSA-N 1 0 275.436 4.033 50 0 CIAARO CC(C)c1ccc(OCC[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000042770782 567891648 /nfs/dbraw/zinc/89/16/48/567891648.db2.gz OFCBIBXBIXTCLI-AWEZNQCLSA-N 1 0 281.827 4.374 50 0 CIAARO CC[C@@H](C)c1cc(Cl)ccc1OC[C@H]1CCC[NH2+]C1 ZINC000042775416 567891851 /nfs/dbraw/zinc/89/18/51/567891851.db2.gz DHJYVAMVKRJPMS-OLZOCXBDSA-N 1 0 281.827 4.232 50 0 CIAARO Clc1cc(Cl)c(OC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000042776166 567891997 /nfs/dbraw/zinc/89/19/97/567891997.db2.gz CVPBHJAHSAILSB-QMMMGPOBSA-N 1 0 294.609 4.025 50 0 CIAARO CC(C)(C)c1cc(Cl)ccc1OCC1CC[NH2+]CC1 ZINC000042775335 567892071 /nfs/dbraw/zinc/89/20/71/567892071.db2.gz FRHCOVCVPRTLBX-UHFFFAOYSA-N 1 0 281.827 4.016 50 0 CIAARO CN(Cc1cscn1)Cc1ccc(Cl)c(Cl)c1 ZINC000048368041 567892658 /nfs/dbraw/zinc/89/26/58/567892658.db2.gz MZCZMFGWKHCJHR-UHFFFAOYSA-N 1 0 287.215 4.082 50 0 CIAARO CCCn1cc(C[NH2+]Cc2ccc(F)cc2)c2ccccc21 ZINC000057353289 567894884 /nfs/dbraw/zinc/89/48/84/567894884.db2.gz VTBODRNFZJHHCO-UHFFFAOYSA-N 1 0 296.389 4.480 50 0 CIAARO CCC[NH2+]Cc1cn(Cc2ccccc2F)c2ccccc12 ZINC000057353121 567894947 /nfs/dbraw/zinc/89/49/47/567894947.db2.gz JIJXOUOQCOSHIT-UHFFFAOYSA-N 1 0 296.389 4.328 50 0 CIAARO C[C@@H]1CC[N@H+](Cc2nc3ccccc3o2)[C@@H]2CCCC[C@@H]12 ZINC000058518175 567895931 /nfs/dbraw/zinc/89/59/31/567895931.db2.gz HWVBEEZYQVDRBW-IJEWVQPXSA-N 1 0 284.403 4.228 50 0 CIAARO Nc1ccc([C@@H]2CCCC[N@@H+]2CCc2ccccc2)cc1 ZINC000064033784 567897473 /nfs/dbraw/zinc/89/74/73/567897473.db2.gz SJVFAJXDHFCTHY-IBGZPJMESA-N 1 0 280.415 4.039 50 0 CIAARO Cc1cnc([C@H]([NH2+]Cc2cccc3[nH]ccc32)C2CC2)s1 ZINC000096429079 567897717 /nfs/dbraw/zinc/89/77/17/567897717.db2.gz YWLRKDMACPCMMA-MRXNPFEDSA-N 1 0 297.427 4.174 50 0 CIAARO CCc1cc([C@@H]2CCCN2Cc2ccc(Cl)cc2)on1 ZINC000064667035 567898085 /nfs/dbraw/zinc/89/80/85/567898085.db2.gz OVIKNLLBRQDVHB-HNNXBMFYSA-N 1 0 290.794 4.228 50 0 CIAARO CCc1cc([C@H]2CCCN2Cc2cccc(Cl)c2)on1 ZINC000064666969 567898130 /nfs/dbraw/zinc/89/81/30/567898130.db2.gz BCWMXXTYFLQSHW-OAHLLOKOSA-N 1 0 290.794 4.228 50 0 CIAARO CC(C)n1cnnc1[C@@H](C)[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000065373770 567898465 /nfs/dbraw/zinc/89/84/65/567898465.db2.gz FDYRSMCZNDBFLJ-CYBMUJFWSA-N 1 0 292.471 4.115 50 0 CIAARO Cc1cnccc1-c1cccc([C@H](C)[NH+]2CCCC2)c1 ZINC000065395412 567899112 /nfs/dbraw/zinc/89/91/12/567899112.db2.gz YUSNNVHXGOEHDM-HNNXBMFYSA-N 1 0 266.388 4.214 50 0 CIAARO C/C(=C\c1ccco1)C[N@@H+]1CCC[C@H]1c1c(C)noc1C ZINC000065403311 567899263 /nfs/dbraw/zinc/89/92/63/567899263.db2.gz UGOFGRCGPZSOAC-TYZQSYOASA-N 1 0 286.375 4.125 50 0 CIAARO CCc1cnc(C)nc1-c1ccc([C@H](C)[NH+]2CCCC2)cc1 ZINC000067713255 567899982 /nfs/dbraw/zinc/89/99/82/567899982.db2.gz ZCXRIUASNULFJS-AWEZNQCLSA-N 1 0 295.430 4.171 50 0 CIAARO Cc1cccc(CNc2[nH+]cc(-c3ccc(F)cc3)n2C)c1 ZINC000004678254 567901373 /nfs/dbraw/zinc/90/13/73/567901373.db2.gz MSXVWVZWVTUUPK-UHFFFAOYSA-N 1 0 295.361 4.147 50 0 CIAARO Cc1ccc(CNc2[nH+]cc(-c3ccc(F)cc3)n2C)cc1 ZINC000004678426 567901446 /nfs/dbraw/zinc/90/14/46/567901446.db2.gz MLRCGYKAIWZKNF-UHFFFAOYSA-N 1 0 295.361 4.147 50 0 CIAARO c1ccc(NC[C@H]2CCCC[C@@H]2[NH+]2CCCCC2)cc1 ZINC000071772756 567902294 /nfs/dbraw/zinc/90/22/94/567902294.db2.gz ALHQFFYBSWDSGC-AEFFLSMTSA-N 1 0 272.436 4.143 50 0 CIAARO Cc1ccc([C@H]2CCCCC[N@@H+]2CC[C@@H]2CCCO2)o1 ZINC000097105164 567904672 /nfs/dbraw/zinc/90/46/72/567904672.db2.gz IBMHIEHMHANISN-JKSUJKDBSA-N 1 0 277.408 4.074 50 0 CIAARO CCC(C)(C)[NH2+]Cc1cc(Cl)ccc1Br ZINC000085219856 567907158 /nfs/dbraw/zinc/90/71/58/567907158.db2.gz KLUQXVMQUHFZIL-UHFFFAOYSA-N 1 0 290.632 4.381 50 0 CIAARO CSCC[C@@H](C)[N@H+](C)Cc1cccc2ccccc21 ZINC000072290443 567908840 /nfs/dbraw/zinc/90/88/40/567908840.db2.gz CIQIVYMNRUOHTF-CQSZACIVSA-N 1 0 273.445 4.413 50 0 CIAARO Cc1ncc(CN2[C@H](C)Cc3cc(F)ccc3[C@@H]2C)s1 ZINC000095455778 567915254 /nfs/dbraw/zinc/91/52/54/567915254.db2.gz FQPFZENFXVNETH-MNOVXSKESA-N 1 0 290.407 4.098 50 0 CIAARO Cc1cc(Nc2cccc(O)c2)c2cccc(C)c2[nH+]1 ZINC000000145938 567923842 /nfs/dbraw/zinc/92/38/42/567923842.db2.gz DQPROWNDGFGXEF-UHFFFAOYSA-N 1 0 264.328 4.301 50 0 CIAARO CC[C@H]([NH2+][C@H](CSC)c1ccccc1)c1ccncc1 ZINC000163785591 567930964 /nfs/dbraw/zinc/93/09/64/567930964.db2.gz PBKYDXLYCDLPBX-DLBZAZTESA-N 1 0 286.444 4.227 50 0 CIAARO CC[C@H]([NH2+][C@@H](CSC)c1ccccc1)c1ccncc1 ZINC000163785376 567930995 /nfs/dbraw/zinc/93/09/95/567930995.db2.gz PBKYDXLYCDLPBX-IRXDYDNUSA-N 1 0 286.444 4.227 50 0 CIAARO CC[C@@H]([NH2+][C@@H](CSC)c1ccccc1)c1ccncc1 ZINC000163785473 567931082 /nfs/dbraw/zinc/93/10/82/567931082.db2.gz PBKYDXLYCDLPBX-SJORKVTESA-N 1 0 286.444 4.227 50 0 CIAARO [NH3+]Cc1ccccc1Sc1ccc2ccccc2c1 ZINC000005649081 567933031 /nfs/dbraw/zinc/93/30/31/567933031.db2.gz XEVGABQMWFFPNC-UHFFFAOYSA-N 1 0 265.381 4.450 50 0 CIAARO CC[NH2+]Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000001533449 567937196 /nfs/dbraw/zinc/93/71/96/567937196.db2.gz WQNYIWJBDGLKEB-UHFFFAOYSA-N 1 0 263.425 4.097 50 0 in-vitro CIAARO CC[n+]1c(C)sc2cc(-c3ccccc3)sc21 ZINC000003159878 567938851 /nfs/dbraw/zinc/93/88/51/567938851.db2.gz XBLCDXNFEUIYQE-UHFFFAOYSA-N 1 0 260.407 4.246 50 0 CIAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(Cl)cc1 ZINC000013725222 567942040 /nfs/dbraw/zinc/94/20/40/567942040.db2.gz SJBMJJSMCAJZPW-AWEZNQCLSA-N 1 0 273.807 4.451 50 0 CIAARO CC(C)CC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000013718115 567942188 /nfs/dbraw/zinc/94/21/88/567942188.db2.gz XNTLQEQOKHZIOF-UHFFFAOYSA-N 1 0 253.389 4.489 50 0 CIAARO CCOc1ccccc1C[NH2+][C@H](C)CCc1ccccc1 ZINC000013725579 567942299 /nfs/dbraw/zinc/94/22/99/567942299.db2.gz OPMJPMYSBZHTMN-MRXNPFEDSA-N 1 0 283.415 4.196 50 0 CIAARO C[C@H]([NH2+]C[C@@H]1CCO[C@@H]1c1ccccc1)c1cccs1 ZINC000104292597 567943635 /nfs/dbraw/zinc/94/36/35/567943635.db2.gz WGKRCOQMOVDGJU-JLJPHGGASA-N 1 0 287.428 4.177 50 0 CIAARO COc1ccccc1CC[NH2+]Cc1ccc2ccccc2c1 ZINC000016671123 567944552 /nfs/dbraw/zinc/94/45/52/567944552.db2.gz REJRJJXFQUDVIB-UHFFFAOYSA-N 1 0 291.394 4.181 50 0 CIAARO C[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000019777222 567944687 /nfs/dbraw/zinc/94/46/87/567944687.db2.gz LYGBHIHYROTSHB-UHFFFAOYSA-N 1 0 296.197 4.292 50 0 CIAARO C[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000019777225 567944787 /nfs/dbraw/zinc/94/47/87/567944787.db2.gz KXJPNSAWGXNRNB-UHFFFAOYSA-N 1 0 296.197 4.292 50 0 CIAARO CSc1ccccc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000215861094 567947373 /nfs/dbraw/zinc/94/73/73/567947373.db2.gz LHFVDJFLULWORH-UHFFFAOYSA-N 1 0 298.455 4.183 50 0 CIAARO CC[NH2+][C@H](C)CC(c1ccccc1)c1ccccc1 ZINC000034459035 567949401 /nfs/dbraw/zinc/94/94/01/567949401.db2.gz LHZORLASXUOCLW-OAHLLOKOSA-N 1 0 253.389 4.207 50 0 CIAARO Cc1nccn1CCCC[NH2+][C@H](c1cccs1)C(C)C ZINC000225531591 567954126 /nfs/dbraw/zinc/95/41/26/567954126.db2.gz LKDUFZKABVLZGL-INIZCTEOSA-N 1 0 291.464 4.020 50 0 CIAARO Clc1cccc(COc2ccccc2C[NH2+]C2CC2)c1 ZINC000032140909 567955676 /nfs/dbraw/zinc/95/56/76/567955676.db2.gz BUEATWYVTFSYJZ-UHFFFAOYSA-N 1 0 287.790 4.171 50 0 CIAARO Cc1ccccc1COc1cccc(C[NH2+]CC(C)C)c1 ZINC000032129473 567956010 /nfs/dbraw/zinc/95/60/10/567956010.db2.gz OHHXDGPSKZJTHE-UHFFFAOYSA-N 1 0 283.415 4.320 50 0 CIAARO [NH3+]C(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 ZINC000011601320 570219773 /nfs/dbraw/zinc/21/97/73/570219773.db2.gz NYEIPJXITMQMTK-UHFFFAOYSA-N 1 0 280.198 4.106 50 0 CIAARO c1ccc(-c2ccc(OCCC3CC[NH2+]CC3)cc2)cc1 ZINC000036230591 570233813 /nfs/dbraw/zinc/23/38/13/570233813.db2.gz CFSDWVGDZPKHMI-UHFFFAOYSA-N 1 0 281.399 4.122 50 0 CIAARO CCCCn1c2ccccc2nc1C[NH+]1CCC(C)CC1 ZINC000082086988 570325107 /nfs/dbraw/zinc/32/51/07/570325107.db2.gz KBPSMINBTRXXCN-UHFFFAOYSA-N 1 0 285.435 4.068 50 0 CIAARO Clc1ccc2nc(CSCc3ccccc3)cn2c1 ZINC000012523647 570326746 /nfs/dbraw/zinc/32/67/46/570326746.db2.gz LURIBFAGFFWGCY-UHFFFAOYSA-N 1 0 288.803 4.421 50 0 CIAARO Cc1ccc(C)c([C@H]2[NH2+]Cc3ccccc3-n3cccc32)c1 ZINC000004126370 570332355 /nfs/dbraw/zinc/33/23/55/570332355.db2.gz SFBYAHFYPFOCED-HXUWFJFHSA-N 1 0 288.394 4.287 50 0 CIAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(C)c2)cc1 ZINC000015836947 570343742 /nfs/dbraw/zinc/34/37/42/570343742.db2.gz XRKGDAQREHOJFP-LJQANCHMSA-N 1 0 281.399 4.341 50 0 CIAARO Cc1[nH]c2ccc(F)cc2c1CC[NH2+]Cc1ccc(C)cc1 ZINC000036657755 570361523 /nfs/dbraw/zinc/36/15/23/570361523.db2.gz MMIVTQBFIOQBHD-UHFFFAOYSA-N 1 0 296.389 4.256 50 0 CIAARO Cc1ccc2c(c1)C[N@@H+](CC1CC1)C[C@@H](c1ccsc1)O2 ZINC000014984154 570400921 /nfs/dbraw/zinc/40/09/21/570400921.db2.gz QTQDEFUXMZQHES-SFHVURJKSA-N 1 0 299.439 4.402 50 0 CIAARO CC[n+]1c(/C=C/c2ccccc2OC)sc2ccccc21 ZINC000004077501 529460079 /nfs/dbraw/zinc/46/00/79/529460079.db2.gz CCIXMYOSUNYRPO-OUKQBFOZSA-N 1 0 296.415 4.388 50 0 CIAARO CC[C@@H](COC)[NH2+][C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000097017308 529520361 /nfs/dbraw/zinc/52/03/61/529520361.db2.gz DMPLLIQINSAYDM-WFASDCNBSA-N 1 0 285.378 4.067 50 0 CIAARO [NH3+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)cc1 ZINC000002576568 169812380 /nfs/dbraw/zinc/81/23/80/169812380.db2.gz RVCJLWYNIURGAL-UHFFFAOYSA-N 1 0 252.144 4.119 50 0 CIAARO C[C@@H](c1ccc(-c2cc(C3CC3)ncn2)cc1)[NH+]1CCCC1 ZINC000097522791 185622133 /nfs/dbraw/zinc/62/21/33/185622133.db2.gz BLHJWWATXLUNFN-AWEZNQCLSA-N 1 0 293.414 4.178 50 0 CIAARO C[C@H](C[NH2+][C@@H](C)c1ccsc1)c1ccsc1 ZINC000122272676 187024152 /nfs/dbraw/zinc/02/41/52/187024152.db2.gz DOKBYXSXQSFRBC-MNOVXSKESA-N 1 0 251.420 4.264 50 0 CIAARO CC[NH+](CC)CCOC(c1ccccc1)c1ccccc1 ZINC000000190046 169569054 /nfs/dbraw/zinc/56/90/54/169569054.db2.gz YJBNEIXMFLQJPC-UHFFFAOYSA-N 1 0 283.415 4.134 50 0 in-vitro CIAARO CC[NH+](CC)CC[C@@](O)(c1ccccc1)C1CCCCC1 ZINC000000349031 169614105 /nfs/dbraw/zinc/61/41/05/169614105.db2.gz IOZLFEFPJZYFFY-LJQANCHMSA-N 1 0 289.463 4.186 50 0 CIAARO CC(C)(C)[NH2+]CCCOc1cc(Cl)ccc1Cl ZINC000002933271 169845232 /nfs/dbraw/zinc/84/52/32/169845232.db2.gz GVBFCRRTDQXBOV-UHFFFAOYSA-N 1 0 276.207 4.150 50 0 CIAARO C[C@H]1C[C@H](C)C[NH+](Cc2csc3c2CCCC3)C1 ZINC000006895111 184532893 /nfs/dbraw/zinc/53/28/93/184532893.db2.gz RHLPGVJPLXUHTK-STQMWFEESA-N 1 0 263.450 4.105 50 0 CIAARO CC[C@H](C)[NH2+]Cc1ccccc1OCc1cccc(C)c1 ZINC000040731420 184547473 /nfs/dbraw/zinc/54/74/73/184547473.db2.gz SGFNAEWFGQRROM-INIZCTEOSA-N 1 0 283.415 4.462 50 0 CIAARO c1ccc(C[NH2+]C[C@@H]2C[C@]23CCCc2ccccc23)cc1 ZINC000521398168 256853467 /nfs/dbraw/zinc/85/34/67/256853467.db2.gz RFBRUKMQSQFPMV-AZUAARDMSA-N 1 0 277.411 4.070 50 0 CIAARO C[C@H](CN1c2ccccc2Sc2ccccc21)C[NH+](C)C ZINC000000896681 134530690 /nfs/dbraw/zinc/53/06/90/134530690.db2.gz ZZHLYYDVIOPZBE-AWEZNQCLSA-N 1 0 298.455 4.487 50 0 world CIAARO CC[C@]1(C)C[C@](CC[NH2+]Cc2ccco2)(C(C)C)CCO1 ZINC000002109812 169774959 /nfs/dbraw/zinc/77/49/59/169774959.db2.gz BDNLJAUVIBLENP-QZTJIDSGSA-N 1 0 293.451 4.381 50 0 CIAARO CC(C)CC[C@H](CC[NH3+])c1ccc(OC(C)C)cc1 ZINC000002454417 169792697 /nfs/dbraw/zinc/79/26/97/169792697.db2.gz YVDKWRWCDKEMHM-MRXNPFEDSA-N 1 0 263.425 4.342 50 0 CIAARO C1C2CC3CC1CC(C2)C3[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000002472733 169793756 /nfs/dbraw/zinc/79/37/56/169793756.db2.gz HIHPVMOIODYXNT-UHFFFAOYSA-N 1 0 285.475 4.225 50 0 CIAARO Fc1ccccc1OCCCCCC[NH+]1CCCCC1 ZINC000002494100 169795112 /nfs/dbraw/zinc/79/51/12/169795112.db2.gz PVLQXRKHEKGZBJ-UHFFFAOYSA-N 1 0 279.399 4.251 50 0 CIAARO O=C(c1cccc(C[NH+]2CCCC2)c1)c1ccccc1Cl ZINC000002515075 169798269 /nfs/dbraw/zinc/79/82/69/169798269.db2.gz KDVYLSSFSBKYIA-UHFFFAOYSA-N 1 0 299.801 4.167 50 0 CIAARO c1ccc2c(c1)cccc2OCCC[NH+]1CCCCCC1 ZINC000002822715 169834616 /nfs/dbraw/zinc/83/46/16/169834616.db2.gz BHPUCSXYFCWZKO-UHFFFAOYSA-N 1 0 283.415 4.485 50 0 CIAARO CC[C@@H](C)[NH2+]CCCOc1ccc([C@H](C)CC)cc1 ZINC000002823224 169834617 /nfs/dbraw/zinc/83/46/17/169834617.db2.gz LJACMFNQOUMSSE-HUUCEWRRSA-N 1 0 263.425 4.357 50 0 CIAARO Clc1ccccc1OCCCC[NH+]1CCCCCC1 ZINC000002839469 169836329 /nfs/dbraw/zinc/83/63/29/169836329.db2.gz UFRLXRRXZYIETD-UHFFFAOYSA-N 1 0 281.827 4.375 50 0 CIAARO CC[NH+](CC)CCCCCOc1cccc(Cl)c1 ZINC000002885608 169841498 /nfs/dbraw/zinc/84/14/98/169841498.db2.gz ILUBIJZBLSFHBO-UHFFFAOYSA-N 1 0 269.816 4.231 50 0 CIAARO CC[NH+](CC)CCCCCOc1ccc(C)cc1C ZINC000002885629 169841567 /nfs/dbraw/zinc/84/15/67/169841567.db2.gz WEXMEZAZEUDBJA-UHFFFAOYSA-N 1 0 263.425 4.194 50 0 CIAARO COc1ccc2ccccc2c1C[NH2+]Cc1ccc(C)cc1 ZINC000004695061 170000237 /nfs/dbraw/zinc/00/02/37/170000237.db2.gz BTIQRDLMOKTWCQ-UHFFFAOYSA-N 1 0 291.394 4.447 50 0 CIAARO CC[C@@H](C)c1ccccc1OCC[NH+]1CCC(C)CC1 ZINC000004845171 170029437 /nfs/dbraw/zinc/02/94/37/170029437.db2.gz YGXYZTFPMRNNSW-MRXNPFEDSA-N 1 0 275.436 4.311 50 0 CIAARO CC[C@H]1CCCC[N@@H+]1CC(=O)c1c(C)[nH]c2cc(C)ccc21 ZINC000004871563 170034739 /nfs/dbraw/zinc/03/47/39/170034739.db2.gz HGMHOFLXGOOWRI-HNNXBMFYSA-N 1 0 298.430 4.232 50 0 CIAARO COc1ccc(C[NH2+]Cc2ccc3ccccc3c2)cc1 ZINC000004891752 170036933 /nfs/dbraw/zinc/03/69/33/170036933.db2.gz QFASUHSSHNOXCH-UHFFFAOYSA-N 1 0 277.367 4.138 50 0 CIAARO CCc1cc(OCC[N@@H+]2CCC[C@H](C)C2)ccc1Cl ZINC000004913978 170040368 /nfs/dbraw/zinc/04/03/68/170040368.db2.gz QFXFRLNKNUFHEW-ZDUSSCGKSA-N 1 0 281.827 4.013 50 0 CIAARO C[C@H]1C[C@H](C)C[NH+](CCOc2ccc3ccccc3c2)C1 ZINC000004914479 170040591 /nfs/dbraw/zinc/04/05/91/170040591.db2.gz DKFNWXGOOBDMPS-HOTGVXAUSA-N 1 0 283.415 4.197 50 0 CIAARO COc1ccc(C[N@H+](C)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004954812 170045037 /nfs/dbraw/zinc/04/50/37/170045037.db2.gz GUGQJYNJCHMIJE-UHFFFAOYSA-N 1 0 299.458 4.343 50 0 CIAARO Clc1cccc(OCC[NH+]2CCCCCC2)c1Cl ZINC000004978459 170047948 /nfs/dbraw/zinc/04/79/48/170047948.db2.gz DMZBCRRXERKDFA-UHFFFAOYSA-N 1 0 288.218 4.248 50 0 CIAARO c1ccc(Oc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000004978090 170048143 /nfs/dbraw/zinc/04/81/43/170048143.db2.gz JEFBXWGWIPUUEI-UHFFFAOYSA-N 1 0 285.412 4.028 50 0 CIAARO Brc1ccccc1C[NH+]1CCCCCCC1 ZINC000004990313 170050808 /nfs/dbraw/zinc/05/08/08/170050808.db2.gz QTHZNCZQZWPHLS-UHFFFAOYSA-N 1 0 282.225 4.215 50 0 CIAARO Cc1ccccc1O[C@@H](C)CC[C@@H](C)[NH+]1CCCCC1 ZINC000005024290 170057065 /nfs/dbraw/zinc/05/70/65/170057065.db2.gz JKCBNKAMCPUOFC-SJORKVTESA-N 1 0 275.436 4.417 50 0 CIAARO Cc1cc(N2CCCC2)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000005553861 170112450 /nfs/dbraw/zinc/11/24/50/170112450.db2.gz KPJDUAVOMLAEPX-UHFFFAOYSA-N 1 0 280.293 4.162 50 0 CIAARO Cc1[nH]c2cc(C)ccc2c1C(=O)[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000005555585 170112684 /nfs/dbraw/zinc/11/26/84/170112684.db2.gz RWSKYXGTZCYANP-ZFWWWQNUSA-N 1 0 298.430 4.088 50 0 CIAARO c1cc(C[NH+]2CCCCC2)c(-c2ccccc2)s1 ZINC000005775439 170139579 /nfs/dbraw/zinc/13/95/79/170139579.db2.gz NPDKXIBUUBRCQO-UHFFFAOYSA-N 1 0 257.402 4.401 50 0 CIAARO Cc1ccccc1[C@H](OCC[NH+](C)C)C1CCCCC1 ZINC000005885413 170150455 /nfs/dbraw/zinc/15/04/55/170150455.db2.gz QVMYGWMIBAYRRL-GOSISDBHSA-N 1 0 275.436 4.195 50 0 CIAARO Fc1cccc(Cl)c1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000005995935 170165987 /nfs/dbraw/zinc/16/59/87/170165987.db2.gz BXHKEIGTIOXVHJ-UHFFFAOYSA-N 1 0 293.813 4.393 50 0 CIAARO COc1cccc(C[NH2+]CC(C)C)c1OCc1ccccc1 ZINC000006375951 170196005 /nfs/dbraw/zinc/19/60/05/170196005.db2.gz PCVYFTDEZJXGBR-UHFFFAOYSA-N 1 0 299.414 4.020 50 0 CIAARO CCOc1c(C[NH2+]C(C)(C)CC(C)(C)C)cccc1OC ZINC000006701108 170229583 /nfs/dbraw/zinc/22/95/83/170229583.db2.gz HSZCSGZYOCNLMJ-UHFFFAOYSA-N 1 0 293.451 4.398 50 0 CIAARO CC[NH2+]Cc1ccc(-c2ccc(Br)cc2C)o1 ZINC000006743866 170238788 /nfs/dbraw/zinc/23/87/88/170238788.db2.gz KRPQKYBZVFZGQA-UHFFFAOYSA-N 1 0 294.192 4.127 50 0 CIAARO COc1ccc(-c2ccc(C[NH2+]C(C)(C)C)o2)cc1Cl ZINC000006882563 170252283 /nfs/dbraw/zinc/25/22/83/170252283.db2.gz CPOVFYPSLFMGOE-UHFFFAOYSA-N 1 0 293.794 4.497 50 0 CIAARO CC(C)C[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000006883620 170253036 /nfs/dbraw/zinc/25/30/36/170253036.db2.gz PEAXGRJVTLSOAT-UHFFFAOYSA-N 1 0 281.758 4.485 50 0 CIAARO CC(C)c1ccc(C[NH2+]CCc2ccc(F)cc2)cc1 ZINC000007009353 170262435 /nfs/dbraw/zinc/26/24/35/170262435.db2.gz GGEPKOJQOONKSK-UHFFFAOYSA-N 1 0 271.379 4.281 50 0 CIAARO CC(C)c1ccc(C[NH2+]Cc2ccc(F)cc2)cc1 ZINC000007009362 170262497 /nfs/dbraw/zinc/26/24/97/170262497.db2.gz MBKVXAMFFYZQPH-UHFFFAOYSA-N 1 0 257.352 4.239 50 0 CIAARO CCCC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000007261728 170273652 /nfs/dbraw/zinc/27/36/52/170273652.db2.gz XDRMXLOBXFTHIJ-UHFFFAOYSA-N 1 0 287.378 4.294 50 0 CIAARO CCCCCC[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000007260965 170273685 /nfs/dbraw/zinc/27/36/85/170273685.db2.gz DNMWMOPRPQKVMK-UHFFFAOYSA-N 1 0 285.815 4.027 50 0 CIAARO CCCCCC[NH2+]Cc1cc(Cl)ccc1OC ZINC000007260988 170274030 /nfs/dbraw/zinc/27/40/30/170274030.db2.gz CYVLGBCKIOBHMY-UHFFFAOYSA-N 1 0 255.789 4.019 50 0 CIAARO Fc1cccc(Cl)c1C[n+]1cccc(-c2ccccc2)c1 ZINC000007761215 170301035 /nfs/dbraw/zinc/30/10/35/170301035.db2.gz RSCTWMUROSPVHO-UHFFFAOYSA-N 1 0 298.768 4.482 50 0 CIAARO CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000008227285 170326023 /nfs/dbraw/zinc/32/60/23/170326023.db2.gz VVOLQERWRWOILZ-UHFFFAOYSA-N 1 0 275.779 4.029 50 0 CIAARO CCOc1cc(C[NH2+][C@@H](C)CC)cc(Cl)c1OCC ZINC000008326656 170331385 /nfs/dbraw/zinc/33/13/85/170331385.db2.gz RSBKIKQMCMYMSI-NSHDSACASA-N 1 0 285.815 4.026 50 0 CIAARO CSc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000008534264 170339164 /nfs/dbraw/zinc/33/91/64/170339164.db2.gz TWFSYXJZNZOKTI-ZDUSSCGKSA-N 1 0 257.402 4.259 50 0 CIAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000008710147 170348298 /nfs/dbraw/zinc/34/82/98/170348298.db2.gz RGJKXICTFNZMFK-HNNXBMFYSA-N 1 0 291.398 4.236 50 0 CIAARO CC(C)[C@H](CC[N@H+](C)[C@@H]1CCOC(C)(C)C1)c1ccco1 ZINC000009547923 170381359 /nfs/dbraw/zinc/38/13/59/170381359.db2.gz PDBCXBRKTNIGCU-CVEARBPZSA-N 1 0 293.451 4.299 50 0 CIAARO Cc1c2c(c(C)n1-c1ccccc1)C1(CCCCC1)[NH2+]CC2 ZINC000009644675 170383434 /nfs/dbraw/zinc/38/34/34/170383434.db2.gz DMZAJFWLLDVCGG-UHFFFAOYSA-N 1 0 294.442 4.399 50 0 CIAARO COc1cc(C[NH2+]C(C)C)ccc1OCc1ccccc1C ZINC000010436154 170406661 /nfs/dbraw/zinc/40/66/61/170406661.db2.gz KWYQISAWOWBVCK-UHFFFAOYSA-N 1 0 299.414 4.081 50 0 CIAARO Cc1c(C[C@H](C)[NH3+])c2cc(C)ccc2n1Cc1ccccc1 ZINC000013683313 170577848 /nfs/dbraw/zinc/57/78/48/170577848.db2.gz AUURPYIKRJPSIU-HNNXBMFYSA-N 1 0 292.426 4.196 50 0 CIAARO [NH3+]C[C@@H](c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000015020677 170654510 /nfs/dbraw/zinc/65/45/10/170654510.db2.gz RUQWNHGVURDYAM-AWEZNQCLSA-N 1 0 266.171 4.084 50 0 CIAARO c1ccc(-c2ccc(OCC[C@@H]3CCCC[NH2+]3)cc2)cc1 ZINC000020221567 171083230 /nfs/dbraw/zinc/08/32/30/171083230.db2.gz BVRILFVLSXAHRP-SFHVURJKSA-N 1 0 281.399 4.265 50 0 CIAARO Cc1ccccc1C[NH2+][C@H]1CCCc2ccccc21 ZINC000020545164 171243410 /nfs/dbraw/zinc/24/34/10/171243410.db2.gz UBMUMVMPHZALGO-SFHVURJKSA-N 1 0 251.373 4.162 50 0 CIAARO Cc1ccc(C(C)C)c(OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000020593595 171262941 /nfs/dbraw/zinc/26/29/41/171262941.db2.gz XFYKHTSQLPTGQC-HNNXBMFYSA-N 1 0 261.409 4.029 50 0 CIAARO CC(C)C[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000020876030 171277487 /nfs/dbraw/zinc/27/74/87/171277487.db2.gz QAMLVZXTWRAGRX-UHFFFAOYSA-N 1 0 263.768 4.346 50 0 CIAARO CCCOc1ccccc1C[NH2+]C1CCCCCC1 ZINC000020924538 171280080 /nfs/dbraw/zinc/28/00/80/171280080.db2.gz FEHITPRISKJLRN-UHFFFAOYSA-N 1 0 261.409 4.288 50 0 CIAARO CCCOc1c(Cl)cc(C[NH2+][C@@H](C)CC)cc1OC ZINC000020931501 171280923 /nfs/dbraw/zinc/28/09/23/171280923.db2.gz AHSVCFLKQXMLNS-NSHDSACASA-N 1 0 285.815 4.026 50 0 CIAARO CCCOc1ccc(C[NH2+]Cc2ccccc2)cc1OCC ZINC000020933130 171281160 /nfs/dbraw/zinc/28/11/60/171281160.db2.gz DFGFSJPRZOTDEU-UHFFFAOYSA-N 1 0 299.414 4.164 50 0 CIAARO CCn1cc(C[NH2+]Cc2cccs2)c2ccccc21 ZINC000020935049 171281794 /nfs/dbraw/zinc/28/17/94/171281794.db2.gz RMPCBKWEZFGMFW-UHFFFAOYSA-N 1 0 270.401 4.013 50 0 CIAARO COc1ccc(CC[NH2+]C2CCC(C(C)(C)C)CC2)cc1 ZINC000021807926 171328091 /nfs/dbraw/zinc/32/80/91/171328091.db2.gz XIJNDFCISSXYAM-UHFFFAOYSA-N 1 0 289.463 4.432 50 0 CIAARO c1cc(-c2ccccc2)oc1C[NH2+]CCc1ccccc1 ZINC000022076464 171352638 /nfs/dbraw/zinc/35/26/38/171352638.db2.gz SLYGNPPEWUHWOR-UHFFFAOYSA-N 1 0 277.367 4.279 50 0 CIAARO [NH3+]Cc1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 ZINC000022177395 171371519 /nfs/dbraw/zinc/37/15/19/171371519.db2.gz PNACMKDILPQCBO-UHFFFAOYSA-N 1 0 292.338 4.125 50 0 CIAARO Clc1ccc(-c2c[n+](-c3ccccc3)c3n2CCC3)cc1 ZINC000027300426 171511937 /nfs/dbraw/zinc/51/19/37/171511937.db2.gz SNMFIWGVSWNPDC-UHFFFAOYSA-N 1 0 295.793 4.031 50 0 CIAARO C[C@H]([NH2+]Cc1cccc(Oc2ccccc2)c1)C1CC1 ZINC000035136447 172003599 /nfs/dbraw/zinc/00/35/99/172003599.db2.gz WTQPSQUCGFXOMB-AWEZNQCLSA-N 1 0 267.372 4.367 50 0 CIAARO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH2+]C1CC1 ZINC000035662203 172340407 /nfs/dbraw/zinc/34/04/07/172340407.db2.gz XZTYTGQQBIVWCD-UHFFFAOYSA-N 1 0 274.191 4.033 50 0 CIAARO C[C@@H]([NH2+]C1CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000037183795 173015621 /nfs/dbraw/zinc/01/56/21/173015621.db2.gz MRWWNBFIDRRQMD-ZCFIWIBFSA-N 1 0 264.583 4.460 50 0 CIAARO [NH3+][C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000037533911 173254295 /nfs/dbraw/zinc/25/42/95/173254295.db2.gz HGFULFVZTZODTI-AWEZNQCLSA-N 1 0 284.161 4.375 50 0 CIAARO Cc1ncc(C[N@@H+](C)[C@@H](C)c2cc3ccccc3o2)s1 ZINC000040158346 174194809 /nfs/dbraw/zinc/19/48/09/174194809.db2.gz PKFDRYKZGACTAL-NSHDSACASA-N 1 0 286.400 4.391 50 0 CIAARO CCCOc1c(C[NH2+][C@H](C)CC)cc(Cl)cc1OC ZINC000040722192 174385542 /nfs/dbraw/zinc/38/55/42/174385542.db2.gz ZMCHJAUZEUZTPF-LLVKDONJSA-N 1 0 285.815 4.026 50 0 CIAARO CCOc1cc(C[NH2+]C(C)C)cc(Cl)c1OC(C)C ZINC000040729284 174388268 /nfs/dbraw/zinc/38/82/68/174388268.db2.gz BWYUKJDWENSLIO-UHFFFAOYSA-N 1 0 285.815 4.024 50 0 CIAARO CC[C@H](C)c1ccc(OC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775064 174873803 /nfs/dbraw/zinc/87/38/03/174873803.db2.gz LRLSKFFTAWXGSJ-QWHCGFSZSA-N 1 0 281.827 4.232 50 0 CIAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1OC ZINC000045004358 175287703 /nfs/dbraw/zinc/28/77/03/175287703.db2.gz ZPVYLRUYDMBQAB-KRWDZBQOSA-N 1 0 297.398 4.041 50 0 CIAARO c1cc2cnccc2c(-c2ccc(C[NH2+]C3CC3)cc2)c1 ZINC000061123343 175642695 /nfs/dbraw/zinc/64/26/95/175642695.db2.gz JBHNLEWDQXILMF-UHFFFAOYSA-N 1 0 274.367 4.154 50 0 CIAARO CCCC[NH2+]Cc1cc(Cl)ccc1OC(C)C ZINC000040730302 260178859 /nfs/dbraw/zinc/17/88/59/260178859.db2.gz YFTMPMYSNXRMLA-UHFFFAOYSA-N 1 0 255.789 4.017 50 0 CIAARO CC(C)(C)c1ccc(OCCC[NH2+]C2CCCC2)cc1 ZINC000002844262 261291909 /nfs/dbraw/zinc/29/19/09/261291909.db2.gz YXPAJJOQUGLWAU-UHFFFAOYSA-N 1 0 275.436 4.285 50 0 CIAARO COC(C)(C)C[C@H](C)[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000534670395 328347016 /nfs/dbraw/zinc/34/70/16/328347016.db2.gz KITZQDXTNRVABH-LBPRGKRZSA-N 1 0 281.827 4.122 50 0 CIAARO CC(C)c1nc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)n[nH]1 ZINC000426573064 528256416 /nfs/dbraw/zinc/25/64/16/528256416.db2.gz KBPYBLKJDDTMEN-AWEZNQCLSA-N 1 0 298.434 4.142 50 0 CIAARO CC[C@@H]([NH2+][C@H](CC)c1ccc2c(c1)CCO2)c1ccncc1 ZINC000096478347 529206204 /nfs/dbraw/zinc/20/62/04/529206204.db2.gz OQXKBJLZNSTGCZ-QZTJIDSGSA-N 1 0 296.414 4.209 50 0 CIAARO Cc1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000003280841 567851853 /nfs/dbraw/zinc/85/18/53/567851853.db2.gz SRJWNSCVMXPKLC-UHFFFAOYSA-N 1 0 290.204 4.047 50 0 CIAARO [NH3+][C@H]1Cc2ccccc2Sc2ccc(Cl)cc21 ZINC000001843454 570384012 /nfs/dbraw/zinc/38/40/12/570384012.db2.gz UEHJPRSQPKQLIT-LBPRGKRZSA-N 1 0 261.777 4.047 50 0 CIAARO Cc1[nH]c2ccccc2c1CCC[NH2+]C1CCCCC1 ZINC000001802817 566842537 /nfs/dbraw/zinc/84/25/37/566842537.db2.gz LRYLEYXCCZSAPD-UHFFFAOYSA-N 1 0 270.420 4.331 50 0 CIAARO C[C@H](C[NH2+]CCCc1ccccc1)c1ccccc1 ZINC000001829436 566845546 /nfs/dbraw/zinc/84/55/46/566845546.db2.gz YLTPTBXCAIPODK-MRXNPFEDSA-N 1 0 253.389 4.013 50 0 CIAARO c1ccc2c(c1)[nH]c1c2CCC[N@@H+]2C[C@H]3CC=CC[C@H]3[C@@H]12 ZINC000004026709 566855676 /nfs/dbraw/zinc/85/56/76/566855676.db2.gz XGOIUNFXMAIFSF-LPMFXHHGSA-N 1 0 278.399 4.053 50 0 CIAARO c1ccc(-c2cc(-c3ccccc3)[n+]3ccccc3n2)cc1 ZINC000001250710 566860588 /nfs/dbraw/zinc/86/05/88/566860588.db2.gz MUGQXBKBZKTAEV-UHFFFAOYSA-N 1 0 283.354 4.154 50 0 CIAARO C[C@H]([NH2+]Cc1ccc(-c2ccccc2F)s1)C1CC1 ZINC000084636413 566883951 /nfs/dbraw/zinc/88/39/51/566883951.db2.gz GZMGELLYIKKMFK-NSHDSACASA-N 1 0 275.392 4.442 50 0 CIAARO COc1ccc2c(c1)[C@@H](c1ccccc1)[C@H](C(C)(C)C)[NH2+]C2 ZINC000002167259 566915694 /nfs/dbraw/zinc/91/56/94/566915694.db2.gz IJWDGSMTEMKAKE-RTBURBONSA-N 1 0 295.426 4.345 50 0 CIAARO Fc1cccc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000015837148 566921240 /nfs/dbraw/zinc/92/12/40/566921240.db2.gz QXCFOEWISNZEHE-QGZVFWFLSA-N 1 0 273.326 4.302 50 0 CIAARO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000015837312 566921450 /nfs/dbraw/zinc/92/14/50/566921450.db2.gz AVMANKAHAXSFII-GOSISDBHSA-N 1 0 285.362 4.171 50 0 CIAARO C[C@H]([NH2+]CCC1=CCCC1)c1nc2c(s1)CCCC2 ZINC000090798344 566959158 /nfs/dbraw/zinc/95/91/58/566959158.db2.gz XHBCXYVFNKFFDA-LBPRGKRZSA-N 1 0 276.449 4.173 50 0 CIAARO COc1ccc(F)cc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000426535432 566987383 /nfs/dbraw/zinc/98/73/83/566987383.db2.gz ITKLWNLGEJVYLJ-UHFFFAOYSA-N 1 0 285.362 4.097 50 0 CIAARO Cc1cc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)c(=O)[nH]c1C ZINC000426471737 566988576 /nfs/dbraw/zinc/98/85/76/566988576.db2.gz XNQIAHSBZJURIV-OAHLLOKOSA-N 1 0 296.414 4.228 50 0 CIAARO CC(C)n1nccc1-c1ccc([C@@H](C)[NH+]2CCCC2)cc1 ZINC000426734155 566991825 /nfs/dbraw/zinc/99/18/25/566991825.db2.gz SEOPQQSOZCYAIM-OAHLLOKOSA-N 1 0 283.419 4.288 50 0 CIAARO C[C@H](c1cccc(-c2ccc3c(c2)CCC3=O)c1)[NH+](C)C ZINC000065408958 567008248 /nfs/dbraw/zinc/00/82/48/567008248.db2.gz MZGLIUNKDSFPRP-CYBMUJFWSA-N 1 0 279.383 4.105 50 0 CIAARO CC[C@H]([NH2+]Cc1c(C)noc1C)c1cccc(Cl)c1 ZINC000036921527 567008340 /nfs/dbraw/zinc/00/83/40/567008340.db2.gz GTDPUPGIZBTMGQ-HNNXBMFYSA-N 1 0 278.783 4.186 50 0 CIAARO Cc1ccc(OCC[NH2+][C@@H](C)c2ccccc2)c(C)c1 ZINC000002823064 567037317 /nfs/dbraw/zinc/03/73/17/567037317.db2.gz PNOWRQOMBZQQFZ-INIZCTEOSA-N 1 0 269.388 4.033 50 0 CIAARO CCCOc1ccc(OCCCC[NH2+][C@@H](C)CC)cc1 ZINC000002823918 567037379 /nfs/dbraw/zinc/03/73/79/567037379.db2.gz OTFVPWWHBOFPAS-HNNXBMFYSA-N 1 0 279.424 4.023 50 0 CIAARO C[C@@H]([NH2+][C@H]1CC2(CCC2)Oc2ccccc21)c1cccnc1 ZINC000095419428 567039054 /nfs/dbraw/zinc/03/90/54/567039054.db2.gz ALHYKSMQCHIZQC-PBHICJAKSA-N 1 0 294.398 4.179 50 0 CIAARO CC(C)[C@H](CC[NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccco1 ZINC000002098138 567042198 /nfs/dbraw/zinc/04/21/98/567042198.db2.gz IHVFADSYBVMSHU-CVEARBPZSA-N 1 0 293.451 4.204 50 0 CIAARO Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000017316302 567051133 /nfs/dbraw/zinc/05/11/33/567051133.db2.gz SHZKASBTPUVULA-CYBMUJFWSA-N 1 0 293.414 4.041 50 0 CIAARO CC[NH+](CC)Cc1cncc(-c2ccc(Cl)cc2)c1 ZINC000037553888 567068195 /nfs/dbraw/zinc/06/81/95/567068195.db2.gz KIPBOVGLZWJZTN-UHFFFAOYSA-N 1 0 274.795 4.244 50 0 CIAARO c1ccc2c(c1)[nH]c1c2CC[N@H+]2CC[C@@H]3CCCC[C@H]3[C@@H]12 ZINC000101363673 567090540 /nfs/dbraw/zinc/09/05/40/567090540.db2.gz UVFKPZSECULWBR-KSMMKXTCSA-N 1 0 280.415 4.277 50 0 CIAARO CC(C)CC[C@@H](CC[NH3+])c1ccc(OC(C)C)cc1 ZINC000002454416 567115881 /nfs/dbraw/zinc/11/58/81/567115881.db2.gz YVDKWRWCDKEMHM-INIZCTEOSA-N 1 0 263.425 4.342 50 0 CIAARO Cc1nccn1CCCC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000095423169 567131972 /nfs/dbraw/zinc/13/19/72/567131972.db2.gz ZXSWQLDEPMAUDR-CQSZACIVSA-N 1 0 297.402 4.069 50 0 CIAARO COc1cc([C@@H](C)[NH2+]Cc2ccsc2)ccc1SC ZINC000095420297 567132139 /nfs/dbraw/zinc/13/21/39/567132139.db2.gz RAFDELSWQZSACE-LLVKDONJSA-N 1 0 293.457 4.329 50 0 CIAARO Cc1ccccc1C[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000095462775 567134525 /nfs/dbraw/zinc/13/45/25/567134525.db2.gz OLDHPQYNVADJOX-CQSZACIVSA-N 1 0 264.372 4.327 50 0 CIAARO C[NH+](C)C[C@H](Oc1ccccc1)c1ccc(Cl)cc1 ZINC000096026936 567138573 /nfs/dbraw/zinc/13/85/73/567138573.db2.gz BJBPILKZKBFNHE-INIZCTEOSA-N 1 0 275.779 4.022 50 0 CIAARO CC(C)c1ccc(NC(=O)[C@H](c2ccccc2)N(C)C)cc1 ZINC000058012556 567167128 /nfs/dbraw/zinc/16/71/28/567167128.db2.gz BGNZIPGBDZNJCT-SFHVURJKSA-N 1 0 296.414 4.051 50 0 CIAARO Cc1cc(OCCCCC[NH+]2CCCC2)ccc1Cl ZINC000003337115 567169749 /nfs/dbraw/zinc/16/97/49/567169749.db2.gz CCJWRQJDAJIKRW-UHFFFAOYSA-N 1 0 281.827 4.293 50 0 CIAARO CC[C@H]1CC[C@]2(C)c3[nH]c4ccccc4c3CCC[N@H+]2C1 ZINC000004044460 567184594 /nfs/dbraw/zinc/18/45/94/567184594.db2.gz VWIGIUHQLACFJB-IFXJQAMLSA-N 1 0 282.431 4.451 50 0 CIAARO Cc1ccc([C@@H](CC[NH3+])c2ccc(OC(C)C)cc2)cc1 ZINC000004040513 567185324 /nfs/dbraw/zinc/18/53/24/567185324.db2.gz IMRSSWNBDQQXNH-LJQANCHMSA-N 1 0 283.415 4.263 50 0 CIAARO C[NH+](C)CCCN1c2ccccc2Sc2ccccc21 ZINC000000010402 567816622 /nfs/dbraw/zinc/81/66/22/567816622.db2.gz ZGUGWUXLJSTTMA-UHFFFAOYSA-N 1 0 284.428 4.241 50 0 world CIAARO Clc1cccc(Cl)c1C[n+]1ccc2ccccc2c1 ZINC000000092999 567817953 /nfs/dbraw/zinc/81/79/53/567817953.db2.gz HSRPJEVESHUFIW-UHFFFAOYSA-N 1 0 289.185 4.482 50 0 CIAARO COc1ccc(C[NH2+]Cc2cccc3ccccc32)cc1 ZINC000000275584 567823588 /nfs/dbraw/zinc/82/35/88/567823588.db2.gz GIFYKGIODMXYNT-UHFFFAOYSA-N 1 0 277.367 4.138 50 0 in-vitro CIAARO Cc1ccc2nc(-c3cccc(Br)c3)cn2c1 ZINC000000433065 567829885 /nfs/dbraw/zinc/82/98/85/567829885.db2.gz VUKLHKSSQCTIKR-UHFFFAOYSA-N 1 0 287.160 4.072 50 0 CIAARO COc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)c2ccccc12 ZINC000000757452 567834679 /nfs/dbraw/zinc/83/46/79/567834679.db2.gz DYYMHUDACFSOAQ-HUUCEWRRSA-N 1 0 283.415 4.326 50 0 CIAARO COc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)c2ccccc12 ZINC000000757451 567834779 /nfs/dbraw/zinc/83/47/79/567834779.db2.gz DYYMHUDACFSOAQ-GASCZTMLSA-N 1 0 283.415 4.326 50 0 CIAARO CC(C)c1ccccc1OCCCC[NH+]1CCCCC1 ZINC000002190774 567845208 /nfs/dbraw/zinc/84/52/08/567845208.db2.gz FEHDNYMJIFSIFY-UHFFFAOYSA-N 1 0 275.436 4.455 50 0 CIAARO CC(C)=CCCCCCC[N@@H+]1CCCC[C@H]1CCO ZINC000002498625 567846423 /nfs/dbraw/zinc/84/64/23/567846423.db2.gz GVLAJBXEZWGFLL-KRWDZBQOSA-N 1 0 267.457 4.140 50 0 CIAARO Cc1cccc(C(=O)c2ccc(C[NH+]3CCCC3)cc2)c1C ZINC000002514565 567846451 /nfs/dbraw/zinc/84/64/51/567846451.db2.gz AOYORVQNNLOTIH-UHFFFAOYSA-N 1 0 293.410 4.130 50 0 CIAARO CC[NH+](CC)CCCCOc1c(C)cc(Cl)cc1C ZINC000002898232 567850113 /nfs/dbraw/zinc/85/01/13/567850113.db2.gz RKGLTYZBZQSCDG-UHFFFAOYSA-N 1 0 283.843 4.458 50 0 CIAARO CC[NH+](CC)CCCCOc1cc(C)c(Cl)c(C)c1 ZINC000002901322 567850477 /nfs/dbraw/zinc/85/04/77/567850477.db2.gz WSFXWRMRTTVZHM-UHFFFAOYSA-N 1 0 283.843 4.458 50 0 CIAARO CCCC[NH2+]CCCCCOc1ccc(CC)cc1 ZINC000002902049 567850532 /nfs/dbraw/zinc/85/05/32/567850532.db2.gz ZZQWOJMYCVHDLG-UHFFFAOYSA-N 1 0 263.425 4.188 50 0 CIAARO CCCC[NH2+]CCCCOc1ccc(Cl)c(C)c1 ZINC000002903070 567850695 /nfs/dbraw/zinc/85/06/95/567850695.db2.gz CLNWTECPTFUQGP-UHFFFAOYSA-N 1 0 269.816 4.197 50 0 CIAARO C[C@H]1CCC[N@H+](CCCOc2ccccc2C(C)(C)C)C1 ZINC000003000793 567850853 /nfs/dbraw/zinc/85/08/53/567850853.db2.gz OXBDCVZUNIKOLC-INIZCTEOSA-N 1 0 289.463 4.485 50 0 CIAARO Cc1cccc(C(C)(C)C)c1OCCC[NH2+]C(C)(C)C ZINC000003000626 567850964 /nfs/dbraw/zinc/85/09/64/567850964.db2.gz KCUHENZAVAWKHA-UHFFFAOYSA-N 1 0 277.452 4.450 50 0 CIAARO CC[C@H](C)c1ccccc1OCCC[NH+]1CCCCC1 ZINC000003001108 567850980 /nfs/dbraw/zinc/85/09/80/567850980.db2.gz DXZRARRTRLGRGC-INIZCTEOSA-N 1 0 275.436 4.455 50 0 CIAARO CCCC[NH2+]CCCOc1c(C)cccc1C(C)(C)C ZINC000003003328 567851456 /nfs/dbraw/zinc/85/14/56/567851456.db2.gz JMCTVJUEAWAWHO-UHFFFAOYSA-N 1 0 277.452 4.451 50 0 CIAARO CCCC[NH2+]CCCOc1ccc(C(C)C)c(C)c1 ZINC000003461009 567852865 /nfs/dbraw/zinc/85/28/65/567852865.db2.gz ZCJCRMQNAAVJHX-UHFFFAOYSA-N 1 0 263.425 4.277 50 0 CIAARO C[C@@H](CC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000003682135 567853366 /nfs/dbraw/zinc/85/33/66/567853366.db2.gz CTSMNTKHEBETQQ-SFHVURJKSA-N 1 0 294.442 4.002 50 0 CIAARO c1ccc(Oc2ccccc2[C@@H]2CCCC[NH2+]2)cc1 ZINC000003734681 567853423 /nfs/dbraw/zinc/85/34/23/567853423.db2.gz CKVUXUPEXBSDOQ-INIZCTEOSA-N 1 0 253.345 4.294 50 0 CIAARO C[C@@H]1CCC[C@@H]([NH2+]Cc2c(F)cccc2Cl)[C@@H]1C ZINC000004204827 567855829 /nfs/dbraw/zinc/85/58/29/567855829.db2.gz WDEUUKKXKBLDLE-UEKVPHQBSA-N 1 0 269.791 4.393 50 0 CIAARO Cc1ccc(/C=C/c2ccc3ccccc3[n+]2C)cc1 ZINC000004377475 567857222 /nfs/dbraw/zinc/85/72/22/567857222.db2.gz XTKHRLHKUKBTQC-ACCUITESSA-N 1 0 260.360 4.143 50 0 CIAARO C[C@H]([NH2+]Cc1c[nH]c2ccccc12)c1ccccc1 ZINC000004666710 567858925 /nfs/dbraw/zinc/85/89/25/567858925.db2.gz QRDBVPJGBQYKAS-ZDUSSCGKSA-N 1 0 250.345 4.019 50 0 CIAARO CCCCCC[NH2+]Cc1cc(Cl)cc(OC)c1OCC ZINC000010474834 567861695 /nfs/dbraw/zinc/86/16/95/567861695.db2.gz ILGSDTVGSSQANF-UHFFFAOYSA-N 1 0 299.842 4.417 50 0 CIAARO CC(C)[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000010436285 567861634 /nfs/dbraw/zinc/86/16/34/567861634.db2.gz OVPRMVNFPIHNPM-UHFFFAOYSA-N 1 0 267.731 4.237 50 0 CIAARO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012020485 567862093 /nfs/dbraw/zinc/86/20/93/567862093.db2.gz GDEQIVLBTYOERC-AWEZNQCLSA-N 1 0 291.822 4.177 50 0 CIAARO Cc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000012244597 567862825 /nfs/dbraw/zinc/86/28/25/567862825.db2.gz VGXUDYQFQLLKJY-QGZVFWFLSA-N 1 0 297.446 4.221 50 0 CIAARO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCCC[C@H]1C ZINC000012597299 567863961 /nfs/dbraw/zinc/86/39/61/567863961.db2.gz YBJZPUIBFXVIHX-LLVKDONJSA-N 1 0 276.405 4.086 50 0 CIAARO Fc1ccc(CC[NH2+]Cc2cccc(Cl)c2Cl)cc1 ZINC000016383892 567872515 /nfs/dbraw/zinc/87/25/15/567872515.db2.gz NNICQPAREBECCI-UHFFFAOYSA-N 1 0 298.188 4.465 50 0 CIAARO C[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000016578503 567873379 /nfs/dbraw/zinc/87/33/79/567873379.db2.gz SQLUOZNVKWODSE-UHFFFAOYSA-N 1 0 296.197 4.292 50 0 CIAARO Cc1cc(C)c([C@H](N)[C@@H]([NH3+])c2c(C)cc(C)cc2C)c(C)c1 ZINC000019367075 567877749 /nfs/dbraw/zinc/87/77/49/567877749.db2.gz ILMRHFMYIXTNMC-PMACEKPBSA-N 1 0 296.458 4.237 50 0 CIAARO CC1(C)CC(N2CCCCC2)=CC(=[N+]2CCCCCC2)C1 ZINC000043278305 567881301 /nfs/dbraw/zinc/88/13/01/567881301.db2.gz IFRSUWSKCFMDDP-UHFFFAOYSA-N 1 0 289.487 4.204 50 0 CIAARO Cc1cc(NCc2ccco2)nc2cc(Cl)ccc12 ZINC000023634634 567881839 /nfs/dbraw/zinc/88/18/39/567881839.db2.gz ZHWXRICVMTXCLB-UHFFFAOYSA-N 1 0 272.735 4.402 50 0 CIAARO C[NH2+]Cc1ccc(Cl)cc1Oc1ccc(C)cc1C ZINC000163420303 567882359 /nfs/dbraw/zinc/88/23/59/567882359.db2.gz OHFQSPYPWKBFCK-UHFFFAOYSA-N 1 0 275.779 4.469 50 0 CIAARO Cc1cc(Oc2cc(Cl)ccc2C[NH3+])ccc1F ZINC000135316266 567882392 /nfs/dbraw/zinc/88/23/92/567882392.db2.gz GQGUMCFQMFUXKJ-UHFFFAOYSA-N 1 0 265.715 4.039 50 0 CIAARO Cc1ccc(Oc2ccc(Cl)cc2C[NH3+])cc1C ZINC000052858173 567882437 /nfs/dbraw/zinc/88/24/37/567882437.db2.gz ZYSZBROWQSNGTI-UHFFFAOYSA-N 1 0 261.752 4.208 50 0 CIAARO C[C@H](CCc1ccc(O)cc1)[NH2+]CCC1=CCCCC1 ZINC000000220883 567883795 /nfs/dbraw/zinc/88/37/95/567883795.db2.gz ROGCIVBVEPPDIT-OAHLLOKOSA-N 1 0 273.420 4.193 50 0 CIAARO Cc1nccn1Cc1sc2ccccc2c1Cl ZINC000030697869 567884712 /nfs/dbraw/zinc/88/47/12/567884712.db2.gz OJQAGCLAXVWYSL-UHFFFAOYSA-N 1 0 262.765 4.108 50 0 CIAARO c1ccc(-c2ccc(OCC[C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000042773087 567891504 /nfs/dbraw/zinc/89/15/04/567891504.db2.gz LROHDQHRQYYWSI-MRXNPFEDSA-N 1 0 281.399 4.122 50 0 CIAARO c1ccc(-c2ccc(COCC[C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC000042771989 567891593 /nfs/dbraw/zinc/89/15/93/567891593.db2.gz XFMIIXIPYOGNLX-KRWDZBQOSA-N 1 0 295.426 4.260 50 0 CIAARO CC(C)c1cc(Cl)ccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042770909 567891744 /nfs/dbraw/zinc/89/17/44/567891744.db2.gz NKBZHCFJXLKWKB-ZDUSSCGKSA-N 1 0 281.827 4.232 50 0 CIAARO CC[C@@H](C)c1ccc(OC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775060 567891845 /nfs/dbraw/zinc/89/18/45/567891845.db2.gz LRLSKFFTAWXGSJ-CHWSQXEVSA-N 1 0 281.827 4.232 50 0 CIAARO CC(C)(C)CC(C)(C)c1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC000042782872 567891979 /nfs/dbraw/zinc/89/19/79/567891979.db2.gz FENFCQMTHWZYBX-INIZCTEOSA-N 1 0 275.436 4.141 50 0 CIAARO Cc1ccc(C[NH+](C)Cc2ccc(C)s2)s1 ZINC000049581126 567893489 /nfs/dbraw/zinc/89/34/89/567893489.db2.gz AAWOETOSSXXMRG-UHFFFAOYSA-N 1 0 251.420 4.058 50 0 CIAARO c1ncc(C[NH2+][C@H](c2ccccc2)C2CCCC2)s1 ZINC000095425761 567894546 /nfs/dbraw/zinc/89/45/46/567894546.db2.gz IHANAHICWCRCJQ-MRXNPFEDSA-N 1 0 272.417 4.164 50 0 CIAARO CC[NH+](CC)CCNc1nc2c(ccc(Cl)c2C)s1 ZINC000056900910 567894562 /nfs/dbraw/zinc/89/45/62/567894562.db2.gz OKXKRRMADTXXBR-UHFFFAOYSA-N 1 0 297.855 4.012 50 0 CIAARO CC[C@@H](C)[N@H+](Cc1ccc(NC(C)=O)cc1)C1CCCC1 ZINC000063882389 567897540 /nfs/dbraw/zinc/89/75/40/567897540.db2.gz FCVFYCFVYPWLOZ-CQSZACIVSA-N 1 0 288.435 4.188 50 0 CIAARO CC(C)c1cc([C@H]2CCCN2Cc2cccc(F)c2)on1 ZINC000064667060 567897862 /nfs/dbraw/zinc/89/78/62/567897862.db2.gz BOBXJBXJJQBEEY-MRXNPFEDSA-N 1 0 288.366 4.274 50 0 CIAARO CCc1cc([C@@H]2CCCN2Cc2cccc(Cl)c2)on1 ZINC000064666967 567897947 /nfs/dbraw/zinc/89/79/47/567897947.db2.gz BCWMXXTYFLQSHW-HNNXBMFYSA-N 1 0 290.794 4.228 50 0 CIAARO Cc1ccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000064667143 567898216 /nfs/dbraw/zinc/89/82/16/567898216.db2.gz LINBLGUOEDTQRZ-KRWDZBQOSA-N 1 0 284.403 4.444 50 0 CIAARO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000064667141 567898338 /nfs/dbraw/zinc/89/83/38/567898338.db2.gz LINBLGUOEDTQRZ-QGZVFWFLSA-N 1 0 284.403 4.444 50 0 CIAARO C/C(=C\c1ccccc1)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000065374684 567898757 /nfs/dbraw/zinc/89/87/57/567898757.db2.gz BOPSLODZJGVTLF-QJPKHSJYSA-N 1 0 266.388 4.178 50 0 CIAARO Cc1nc(C[NH2+][C@@H](C)CCc2c[nH]c3ccccc23)cs1 ZINC000067754432 567900476 /nfs/dbraw/zinc/90/04/76/567900476.db2.gz WHCIESHJOCXLLC-LBPRGKRZSA-N 1 0 299.443 4.044 50 0 CIAARO Cn1c(-c2ccccc2)c[nH+]c1NCc1cccc(Cl)c1 ZINC000004678148 567901501 /nfs/dbraw/zinc/90/15/01/567901501.db2.gz RQTMBSACHPPMCJ-UHFFFAOYSA-N 1 0 297.789 4.353 50 0 CIAARO Cc1ncnc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)c1C ZINC000097784886 567911250 /nfs/dbraw/zinc/91/12/50/567911250.db2.gz XWQVMDBBCVTKSN-MRXNPFEDSA-N 1 0 295.430 4.307 50 0 CIAARO CCCCN1c2ccccc2N2C[C@@H](c3ccccc3)[NH+]=C12 ZINC000102061065 567915045 /nfs/dbraw/zinc/91/50/45/567915045.db2.gz KLDVRIXPYGKJQR-INIZCTEOSA-N 1 0 291.398 4.224 50 0 CIAARO Cc1csc(C2([NH2+]CC3CCCC3)CCCC2)n1 ZINC000072308883 567916929 /nfs/dbraw/zinc/91/69/29/567916929.db2.gz IOSWDZVEGQAWCD-UHFFFAOYSA-N 1 0 264.438 4.001 50 0 CIAARO CC[C@@H](C)c1ccc(-c2cc(C[NH2+]C(C)C)[nH]n2)cc1 ZINC000725264694 567923251 /nfs/dbraw/zinc/92/32/51/567923251.db2.gz JPRGZXZZXSWDCA-CYBMUJFWSA-N 1 0 271.408 4.088 50 0 CIAARO Cc1ccc2[nH+]c3c(c(Nc4cccc(O)c4)c2c1)CCC3 ZINC000000110319 567923272 /nfs/dbraw/zinc/92/32/72/567923272.db2.gz SDWPMGMCUCHVSO-UHFFFAOYSA-N 1 0 290.366 4.481 50 0 CIAARO c1csc([C@@H]2CCC[N@H+]2Cc2nc3ccccc3o2)c1 ZINC000137547735 567930403 /nfs/dbraw/zinc/93/04/03/567930403.db2.gz DWBCWVSMYZZRSW-ZDUSSCGKSA-N 1 0 284.384 4.226 50 0 CIAARO C[C@H](CCc1ccc(O)cc1)[NH2+]C1CCCCCC1 ZINC000000766464 567936822 /nfs/dbraw/zinc/93/68/22/567936822.db2.gz YHRYIXVPDSZPQF-CQSZACIVSA-N 1 0 261.409 4.026 50 0 CIAARO COC[C@](C)([NH2+]Cc1cc(C)sc1C)c1ccccc1 ZINC000181091812 567938076 /nfs/dbraw/zinc/93/80/76/567938076.db2.gz UOWMHSADSRXUDR-KRWDZBQOSA-N 1 0 289.444 4.016 50 0 CIAARO Clc1ccc(CC[NH2+]CCc2ccccc2)c(Cl)c1 ZINC000013723356 567942055 /nfs/dbraw/zinc/94/20/55/567942055.db2.gz AQISCIXRLCPLNN-UHFFFAOYSA-N 1 0 294.225 4.368 50 0 CIAARO Fc1cccc(Cl)c1C[NH2+]CCc1ccc(Cl)cc1 ZINC000013720971 567942259 /nfs/dbraw/zinc/94/22/59/567942259.db2.gz RHSHRFBVRJUIER-UHFFFAOYSA-N 1 0 298.188 4.465 50 0 CIAARO Fc1ccccc1CC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000016449545 567944495 /nfs/dbraw/zinc/94/44/95/567944495.db2.gz NPANILQXOAMQHF-UHFFFAOYSA-N 1 0 298.188 4.465 50 0 CIAARO Clc1cccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000016398826 567944515 /nfs/dbraw/zinc/94/45/15/567944515.db2.gz DZRCNOZUGSTYDL-UHFFFAOYSA-N 1 0 275.823 4.398 50 0 CIAARO C[NH2+]Cc1c(OCc2cccc(C)c2)ccc2ccccc21 ZINC000019778438 567944608 /nfs/dbraw/zinc/94/46/08/567944608.db2.gz MVUKGHOGXOPZTL-UHFFFAOYSA-N 1 0 291.394 4.447 50 0 CIAARO COc1cccc(CC[NH2+]Cc2ccc3ccccc3c2)c1 ZINC000019721099 567944920 /nfs/dbraw/zinc/94/49/20/567944920.db2.gz AHFWZTKCXSTNAJ-UHFFFAOYSA-N 1 0 291.394 4.181 50 0 CIAARO c1ccc(C[C@H]([NH2+]Cc2ccncc2)c2ccccc2)cc1 ZINC000019893022 567945027 /nfs/dbraw/zinc/94/50/27/567945027.db2.gz YKNIMUPCFCLGGC-FQEVSTJZSA-N 1 0 288.394 4.155 50 0 CIAARO CC(C)COCCC[NH2+]Cc1csc2ccccc12 ZINC000049943343 567946871 /nfs/dbraw/zinc/94/68/71/567946871.db2.gz KUGXZNHEDQORJI-UHFFFAOYSA-N 1 0 277.433 4.054 50 0 CIAARO COc1ccc(C[NH2+]Cc2ccccc2C(F)(F)F)cc1 ZINC000055008610 567946884 /nfs/dbraw/zinc/94/68/84/567946884.db2.gz DHAPYYOWBSBMOI-UHFFFAOYSA-N 1 0 295.304 4.004 50 0 CIAARO CC(C)CCOCC[NH2+]Cc1csc2ccccc12 ZINC000049949231 567946909 /nfs/dbraw/zinc/94/69/09/567946909.db2.gz OWLPVQOJUUAEGA-UHFFFAOYSA-N 1 0 277.433 4.054 50 0 CIAARO CC[N@H+](Cc1ccc(-c2ccco2)cc1)Cc1ccccn1 ZINC000215920810 567947330 /nfs/dbraw/zinc/94/73/30/567947330.db2.gz ARGFBMVAAZXNDJ-UHFFFAOYSA-N 1 0 292.382 4.364 50 0 CIAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(C)cc2C)c1 ZINC000028924863 567953843 /nfs/dbraw/zinc/95/38/43/567953843.db2.gz XMAVRVRFACFGJQ-OAHLLOKOSA-N 1 0 296.414 4.113 50 0 CIAARO CC(C)Oc1cccc(C[NH2+]C2CCCCCC2)c1 ZINC000032112169 567955678 /nfs/dbraw/zinc/95/56/78/567955678.db2.gz YMMLUEALSAKREY-UHFFFAOYSA-N 1 0 261.409 4.286 50 0 CIAARO Cc1cccc(COc2ccccc2C[NH2+]CC(C)C)c1 ZINC000032129467 567955992 /nfs/dbraw/zinc/95/59/92/567955992.db2.gz YUSDFIKOMLZIGB-UHFFFAOYSA-N 1 0 283.415 4.320 50 0 CIAARO Cc1cccc(COc2ccc(C[NH2+]CC(C)C)cc2)c1 ZINC000032129483 567955994 /nfs/dbraw/zinc/95/59/94/567955994.db2.gz UUOWYUSFJNWCHH-UHFFFAOYSA-N 1 0 283.415 4.320 50 0 CIAARO Cc1ccccc1COc1ccccc1C[NH2+]CC(C)C ZINC000032129465 567956033 /nfs/dbraw/zinc/95/60/33/567956033.db2.gz DGEBRYSKHJJCEZ-UHFFFAOYSA-N 1 0 283.415 4.320 50 0 CIAARO Oc1cccc(C[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC000058440350 567956339 /nfs/dbraw/zinc/95/63/39/567956339.db2.gz VQTUERAWUBSWQG-UHFFFAOYSA-N 1 0 289.378 4.271 50 0 CIAARO COc1ccccc1C[NH2+]Cc1ccc2ccccc2c1 ZINC000004685500 570215971 /nfs/dbraw/zinc/21/59/71/570215971.db2.gz DMGOQYTUSPGLLX-UHFFFAOYSA-N 1 0 277.367 4.138 50 0 CIAARO Cc1ccsc1C[N@H+](Cc1ccncc1)C1CCCC1 ZINC000055282798 570241807 /nfs/dbraw/zinc/24/18/07/570241807.db2.gz RHOJHWNGCDEWAN-UHFFFAOYSA-N 1 0 286.444 4.396 50 0 CIAARO Cc1ccc(C)c([C@@H]2[NH2+]Cc3ccccc3-n3cccc32)c1 ZINC000004126372 570332241 /nfs/dbraw/zinc/33/22/41/570332241.db2.gz SFBYAHFYPFOCED-FQEVSTJZSA-N 1 0 288.394 4.287 50 0 CIAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(C)c2)cc1 ZINC000015836944 570344129 /nfs/dbraw/zinc/34/41/29/570344129.db2.gz XRKGDAQREHOJFP-IBGZPJMESA-N 1 0 281.399 4.341 50 0 CIAARO Cc1[nH]c2ccc(F)cc2c1CC[NH2+]Cc1cccs1 ZINC000036657736 570361516 /nfs/dbraw/zinc/36/15/16/570361516.db2.gz VMFUZIPDWYNBCU-UHFFFAOYSA-N 1 0 288.391 4.009 50 0 CIAARO Cc1csc([C@H]([NH2+]Cc2cccc3[nH]ccc32)C2CC2)n1 ZINC000089705418 570368476 /nfs/dbraw/zinc/36/84/76/570368476.db2.gz ANYRWGNIKPHHKF-MRXNPFEDSA-N 1 0 297.427 4.174 50 0 CIAARO Cc1ccc(C)c(N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000000277626 570382719 /nfs/dbraw/zinc/38/27/19/570382719.db2.gz YFNHLNRRJFTRNW-UHFFFAOYSA-N 1 0 286.463 4.006 50 0 CIAARO c1coc(C[NH2+]CC[C@H](Cc2ccccc2)c2ccco2)c1 ZINC000002296018 570385525 /nfs/dbraw/zinc/38/55/25/570385525.db2.gz JKWSCGNTWMWTJI-QGZVFWFLSA-N 1 0 295.382 4.379 50 0 CIAARO CC[C@@H]([NH2+]Cc1cccs1)c1cc(F)ccc1F ZINC000077454725 570405284 /nfs/dbraw/zinc/40/52/84/570405284.db2.gz LPXBYGFWTIHTRD-CQSZACIVSA-N 1 0 267.344 4.267 50 0 CIAARO CC[C@H]([NH2+]Cc1cccs1)c1cc(F)ccc1F ZINC000077454722 570405306 /nfs/dbraw/zinc/40/53/06/570405306.db2.gz LPXBYGFWTIHTRD-AWEZNQCLSA-N 1 0 267.344 4.267 50 0 CIAARO [NH3+][C@@H](Cc1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000038127085 570411864 /nfs/dbraw/zinc/41/18/64/570411864.db2.gz VVJATHWMCGHNDW-AWEZNQCLSA-N 1 0 266.171 4.236 50 0 CIAARO CC(C)C[C@H]([NH2+]Cc1ccc(Cl)o1)c1cccnc1 ZINC000952965109 614221401 /nfs/dbraw/zinc/22/14/01/614221401.db2.gz CEQJUCRBHPWROS-AWEZNQCLSA-N 1 0 278.783 4.205 50 0 CIAARO CCc1nc(C)c(C[NH2+][C@@H](C)CC(C)(C)c2ccccc2)[nH]1 ZINC000952966720 615737533 /nfs/dbraw/zinc/73/75/33/615737533.db2.gz DVCCLFQAEIDGIJ-AWEZNQCLSA-N 1 0 299.462 4.127 50 0 CIAARO Cc1cc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)c(=O)[nH]c1C ZINC000426739977 230428147 /nfs/dbraw/zinc/42/81/47/230428147.db2.gz YEQSXOBUHCCTLJ-HNNXBMFYSA-N 1 0 296.414 4.228 50 0 CIAARO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1noc2c1CCCC2 ZINC000095941285 185035659 /nfs/dbraw/zinc/03/56/59/185035659.db2.gz VRISOXIEIITXNR-UKRRQHHQSA-N 1 0 276.424 4.002 50 0 CIAARO CC[C@H](C)[C@@H](C)[NH2+]CCCCOCCc1ccccc1 ZINC000095967350 185046818 /nfs/dbraw/zinc/04/68/18/185046818.db2.gz MHYUWXPGJZIABK-DLBZAZTESA-N 1 0 277.452 4.050 50 0 CIAARO CC[C@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccncc1 ZINC000095968447 185047208 /nfs/dbraw/zinc/04/72/08/185047208.db2.gz IAONISVWSSXNQU-ZWKOTPCHSA-N 1 0 266.388 4.200 50 0 CIAARO CC[C@H]([NH2+][C@H]1CCc2ccc(C)cc21)c1c(C)nn(C)c1C ZINC000095968720 185048049 /nfs/dbraw/zinc/04/80/49/185048049.db2.gz DRQBZCDTSLSTJW-ROUUACIJSA-N 1 0 297.446 4.074 50 0 CIAARO C[C@@H](c1cccc(-c2ccc(F)cn2)c1)[NH+]1CCCC1 ZINC000096138520 185105391 /nfs/dbraw/zinc/10/53/91/185105391.db2.gz KKXYPLXFJSSNAY-ZDUSSCGKSA-N 1 0 270.351 4.045 50 0 CIAARO Clc1cccc(Cl)c1SC[C@@H]1CCC[NH2+]C1 ZINC000083308937 178380433 /nfs/dbraw/zinc/38/04/33/178380433.db2.gz HVAZFZURIKESEP-SECBINFHSA-N 1 0 276.232 4.085 50 0 CIAARO FC(F)(F)c1ccccc1C[NH2+]Cc1cccs1 ZINC000085891719 179196448 /nfs/dbraw/zinc/19/64/48/179196448.db2.gz ZKNGJBXQYQPZDR-UHFFFAOYSA-N 1 0 271.307 4.057 50 0 CIAARO Clc1ccc([C@@H]([NH2+]CCc2cscn2)C2CC2)cc1 ZINC000104447532 186006316 /nfs/dbraw/zinc/00/63/16/186006316.db2.gz JLJAQENCXWWUJP-HNNXBMFYSA-N 1 0 292.835 4.080 50 0 CIAARO C[C@@H](C[NH2+][C@H](C)c1ccsc1)c1ccsc1 ZINC000122272808 187024042 /nfs/dbraw/zinc/02/40/42/187024042.db2.gz DOKBYXSXQSFRBC-WDEREUQCSA-N 1 0 251.420 4.264 50 0 CIAARO CC[C@@H](C)[NH2+]CC[C@@H](c1ccccc1)c1ccccc1O ZINC000000295071 169599948 /nfs/dbraw/zinc/59/99/48/169599948.db2.gz NXFXNYPXVRTRID-WBVHZDCISA-N 1 0 283.415 4.302 50 0 CIAARO COc1ccc(C[NH2+]Cc2ccc(C(C)C)cc2)cc1 ZINC000000300152 169601583 /nfs/dbraw/zinc/60/15/83/169601583.db2.gz 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/nfs/dbraw/zinc/83/47/25/169834725.db2.gz NKFFSZDJFBWGNX-JTQLQIEISA-N 1 0 276.207 4.150 50 0 CIAARO COc1ccccc1OCCCCCC[NH+]1CCCCC1 ZINC000002880329 169840674 /nfs/dbraw/zinc/84/06/74/169840674.db2.gz QGEKDVNYIVZSFY-UHFFFAOYSA-N 1 0 291.435 4.120 50 0 CIAARO CCCC[NH2+]CCCCOc1ccc(Cl)cc1C ZINC000002931995 169844844 /nfs/dbraw/zinc/84/48/44/169844844.db2.gz LQHYLBLMXDXCCM-UHFFFAOYSA-N 1 0 269.816 4.197 50 0 CIAARO C[C@@H]1CCC[N@H+](CCCOc2ccccc2C(C)(C)C)C1 ZINC000003000794 169848625 /nfs/dbraw/zinc/84/86/25/169848625.db2.gz OXBDCVZUNIKOLC-MRXNPFEDSA-N 1 0 289.463 4.485 50 0 CIAARO c1ccc(C[NH2+]CCCOc2cccc3ccccc32)cc1 ZINC000003001749 169848848 /nfs/dbraw/zinc/84/88/48/169848848.db2.gz SUESAICTAYRMHC-UHFFFAOYSA-N 1 0 291.394 4.399 50 0 CIAARO C=C1c2cc(F)ccc2C[C@H](CC[NH+](C)C)c2ccccc21 ZINC000004759685 170012672 /nfs/dbraw/zinc/01/26/72/170012672.db2.gz GRALCDYAQLUESJ-INIZCTEOSA-N 1 0 295.401 4.479 50 0 CIAARO C[C@@H]1C[C@@H](C)C[NH+](CCOc2cccc3ccccc32)C1 ZINC000004836932 170027035 /nfs/dbraw/zinc/02/70/35/170027035.db2.gz ZFIZZFZTURMSBT-HZPDHXFCSA-N 1 0 283.415 4.197 50 0 CIAARO CC[NH+](CC)CCOc1ccc(C(C)(C)CC)cc1 ZINC000004845126 170029813 /nfs/dbraw/zinc/02/98/13/170029813.db2.gz WRFATKGWESWZDK-UHFFFAOYSA-N 1 0 263.425 4.095 50 0 CIAARO CC[C@H](C)c1ccccc1OCC[N@@H+]1CCC[C@H](C)C1 ZINC000004906597 170039475 /nfs/dbraw/zinc/03/94/75/170039475.db2.gz ODYGTZFICIVCRH-HOTGVXAUSA-N 1 0 275.436 4.311 50 0 CIAARO c1csc(C[NH2+]Cc2ccc(-c3ccccc3)o2)c1 ZINC000004942837 170043118 /nfs/dbraw/zinc/04/31/18/170043118.db2.gz XNFKIOLQPWGUSV-UHFFFAOYSA-N 1 0 269.369 4.298 50 0 CIAARO C[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000004989032 170050077 /nfs/dbraw/zinc/05/00/77/170050077.db2.gz UTVPIKGLRUSJLF-KRWDZBQOSA-N 1 0 295.426 4.498 50 0 CIAARO COc1ccc(CC[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000004989373 170050081 /nfs/dbraw/zinc/05/00/81/170050081.db2.gz SCBMIRQPTJCGQS-INIZCTEOSA-N 1 0 283.415 4.148 50 0 CIAARO c1[nH]c2ccccc2c1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000005005897 170054247 /nfs/dbraw/zinc/05/42/47/170054247.db2.gz VBESKVBXSZPSQJ-UHFFFAOYSA-N 1 0 280.415 4.226 50 0 CIAARO c1ccc(Cc2ccc(OCC[NH2+]C3CCCC3)cc2)cc1 ZINC000005013263 170055238 /nfs/dbraw/zinc/05/52/38/170055238.db2.gz YDAGXLDNWHODAD-UHFFFAOYSA-N 1 0 295.426 4.188 50 0 CIAARO CC[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000005476771 170103164 /nfs/dbraw/zinc/10/31/64/170103164.db2.gz CTLLESBERPXART-HNNXBMFYSA-N 1 0 299.414 4.162 50 0 CIAARO CC[NH+](CC)CCO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000005509462 170105884 /nfs/dbraw/zinc/10/58/84/170105884.db2.gz UMUCRXOOBZYPMO-FQEVSTJZSA-N 1 0 297.442 4.443 50 0 CIAARO Cc1[nH]c2cc(C)ccc2c1C(=O)C[N@@H+](C)C1CCCCC1 ZINC000005574514 170115470 /nfs/dbraw/zinc/11/54/70/170115470.db2.gz MXIGNJBDXSUHEC-UHFFFAOYSA-N 1 0 298.430 4.232 50 0 CIAARO C[C@H]1CCCC[N@@H+]1CCCOc1ccc2ccccc2c1 ZINC000005699978 170130586 /nfs/dbraw/zinc/13/05/86/170130586.db2.gz YMLHWGCQDQYTEV-INIZCTEOSA-N 1 0 283.415 4.483 50 0 CIAARO Cc1ccc(O[C@@H](C)CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000005752672 170136887 /nfs/dbraw/zinc/13/68/87/170136887.db2.gz UVBPQXGSUGLCCF-IRXDYDNUSA-N 1 0 275.436 4.417 50 0 CIAARO C[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000005910015 170153478 /nfs/dbraw/zinc/15/34/78/170153478.db2.gz SYRXTJCKYKTUAJ-UHFFFAOYSA-N 1 0 296.197 4.292 50 0 CIAARO COc1ccccc1C[NH2+]Cc1cccc2ccccc21 ZINC000005911584 170154145 /nfs/dbraw/zinc/15/41/45/170154145.db2.gz FDLSFCRUTTXDOH-UHFFFAOYSA-N 1 0 277.367 4.138 50 0 CIAARO Fc1ccc(COc2cccc(C[NH2+]C3CCCC3)c2)cc1 ZINC000005996464 170166082 /nfs/dbraw/zinc/16/60/82/170166082.db2.gz LANKMJQNNFTAPT-UHFFFAOYSA-N 1 0 299.389 4.437 50 0 CIAARO COc1ccc(C[NH2+]CCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000006602996 170218350 /nfs/dbraw/zinc/21/83/50/170218350.db2.gz UJNRPYPPVYDCOZ-UHFFFAOYSA-N 1 0 299.458 4.391 50 0 CIAARO COc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)cc1OC ZINC000006697218 170226849 /nfs/dbraw/zinc/22/68/49/170226849.db2.gz BVEGJOBCFUUYBY-UHFFFAOYSA-N 1 0 279.424 4.008 50 0 CIAARO COc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)c(OC)c1 ZINC000006857398 170249988 /nfs/dbraw/zinc/24/99/88/170249988.db2.gz XLNMISKNQXCRTE-UHFFFAOYSA-N 1 0 279.424 4.008 50 0 CIAARO CCCCC[NH2+]Cc1cc(Cl)c(OC)c(OCC)c1 ZINC000007261235 170273923 /nfs/dbraw/zinc/27/39/23/170273923.db2.gz MMQNWMZYDRVSNB-UHFFFAOYSA-N 1 0 285.815 4.027 50 0 CIAARO CCCC[NH2+]Cc1ccc(OCc2cccs2)cc1 ZINC000007261702 170273932 /nfs/dbraw/zinc/27/39/32/170273932.db2.gz BZSVZWHHLJGZAK-UHFFFAOYSA-N 1 0 275.417 4.217 50 0 CIAARO CC(C)c1ccc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC000007378163 170281438 /nfs/dbraw/zinc/28/14/38/170281438.db2.gz DGJKOOLKZZINRV-OAHLLOKOSA-N 1 0 288.435 4.013 50 0 CIAARO CC[C@@H](C)[NH2+]Cc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000007539594 170290345 /nfs/dbraw/zinc/29/03/45/170290345.db2.gz QDXFGQQCRMSKLA-LLVKDONJSA-N 1 0 293.794 4.497 50 0 CIAARO CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1OCC ZINC000008324952 170331571 /nfs/dbraw/zinc/33/15/71/170331571.db2.gz HKXUJZMJAOTOSE-HNNXBMFYSA-N 1 0 299.414 4.335 50 0 CIAARO CC[C@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2ccc(C)cc2c1=O ZINC000008700838 170346683 /nfs/dbraw/zinc/34/66/83/170346683.db2.gz VAHWGRMDQBRJGP-HNNXBMFYSA-N 1 0 298.430 4.322 50 0 CIAARO Cc1ccc2c(=O)c(C[N@H+]3CCC[C@@H](C)C3)c(C)[nH]c2c1C ZINC000008714134 170348576 /nfs/dbraw/zinc/34/85/76/170348576.db2.gz WBUZSRRTVMOMEV-GFCCVEGCSA-N 1 0 298.430 4.098 50 0 CIAARO CCC[NH+](CCC)Cc1c(C)[nH]c2c(C)cccc2c1=O ZINC000008717554 170349406 /nfs/dbraw/zinc/34/94/06/170349406.db2.gz XGPBOAMPXFAMMQ-UHFFFAOYSA-N 1 0 286.419 4.179 50 0 CIAARO Cc1ccccc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000016362678 170695186 /nfs/dbraw/zinc/69/51/86/170695186.db2.gz WMICIJZWAMTKFB-UHFFFAOYSA-N 1 0 255.405 4.053 50 0 CIAARO C[C@H]([NH2+]Cc1cccc(O)c1)c1cccc2ccccc21 ZINC000020136921 171024581 /nfs/dbraw/zinc/02/45/81/171024581.db2.gz VWXDCAUTNHXEBP-AWEZNQCLSA-N 1 0 277.367 4.396 50 0 CIAARO CCc1ccc([C@@H]([NH2+]Cc2c(C)noc2C)C(C)C)cc1 ZINC000020253367 171105467 /nfs/dbraw/zinc/10/54/67/171105467.db2.gz AUTKRFHGFYUHTJ-SFHVURJKSA-N 1 0 286.419 4.341 50 0 CIAARO c1ccc(CC[NH2+]Cc2ccccc2OC2CCCC2)cc1 ZINC000020386794 171176816 /nfs/dbraw/zinc/17/68/16/171176816.db2.gz IUIMDYCSILHEPQ-UHFFFAOYSA-N 1 0 295.426 4.340 50 0 CIAARO COc1cc(C[NH2+]C2CCCCCC2)ccc1OC(C)C ZINC000020545041 171242804 /nfs/dbraw/zinc/24/28/04/171242804.db2.gz KEAGWXSYSMHEPK-UHFFFAOYSA-N 1 0 291.435 4.295 50 0 CIAARO c1ccc(-c2ccccc2OCCC2CC[NH2+]CC2)cc1 ZINC000020593583 171263162 /nfs/dbraw/zinc/26/31/62/171263162.db2.gz HDTJQIGERHBPIN-UHFFFAOYSA-N 1 0 281.399 4.122 50 0 CIAARO CC[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000020876032 171277443 /nfs/dbraw/zinc/27/74/43/171277443.db2.gz LPXRYTJRPHNEEO-LLVKDONJSA-N 1 0 263.768 4.488 50 0 CIAARO CCCOc1c(Cl)cc(C[NH2+]CC(C)C)cc1OCC ZINC000020931942 171280794 /nfs/dbraw/zinc/28/07/94/171280794.db2.gz ROGNDABLAMJNMW-UHFFFAOYSA-N 1 0 299.842 4.273 50 0 CIAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]C(C)C ZINC000020930329 171280931 /nfs/dbraw/zinc/28/09/31/171280931.db2.gz VGSKLSMOCYCHOT-UHFFFAOYSA-N 1 0 276.207 4.280 50 0 CIAARO CCCOc1c(Cl)cc(C[NH2+]C(C)C)cc1OCC ZINC000020932112 171281189 /nfs/dbraw/zinc/28/11/89/171281189.db2.gz PGHDWLVMIROLHX-UHFFFAOYSA-N 1 0 285.815 4.026 50 0 CIAARO CCn1cc(C[NH2+]C2CCCCC2)c2ccccc21 ZINC000020934922 171281310 /nfs/dbraw/zinc/28/13/10/171281310.db2.gz YPBZIUYNCKMNOF-UHFFFAOYSA-N 1 0 256.393 4.084 50 0 CIAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(C)c(C)c1 ZINC000021720729 171320622 /nfs/dbraw/zinc/32/06/22/171320622.db2.gz VKPGAVBMALXDAM-QGZVFWFLSA-N 1 0 298.430 4.499 50 0 CIAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000021720775 171321064 /nfs/dbraw/zinc/32/10/64/171321064.db2.gz VRPLWUNRLHUTFA-HNNXBMFYSA-N 1 0 288.366 4.022 50 0 CIAARO Fc1ccccc1COc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000032182836 171720599 /nfs/dbraw/zinc/72/05/99/171720599.db2.gz IWMKUYUXWWHMJM-UHFFFAOYSA-N 1 0 299.389 4.437 50 0 CIAARO C[C@@H]([NH2+]Cc1cccc(Oc2ccccc2)c1)C1CC1 ZINC000035136449 172003644 /nfs/dbraw/zinc/00/36/44/172003644.db2.gz WTQPSQUCGFXOMB-CQSZACIVSA-N 1 0 267.372 4.367 50 0 CIAARO CCCn1c2ccccc2nc1C[NH+](C(C)C)C(C)C ZINC000035167708 172026863 /nfs/dbraw/zinc/02/68/63/172026863.db2.gz OXOWFEIFPUNKKC-UHFFFAOYSA-N 1 0 273.424 4.065 50 0 CIAARO CCCn1c2ccccc2nc1C[NH+](CCC)CCC ZINC000035167711 172026881 /nfs/dbraw/zinc/02/68/81/172026881.db2.gz FCWURDFBTUSADY-UHFFFAOYSA-N 1 0 273.424 4.068 50 0 CIAARO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1cccc2ccccc21 ZINC000038095391 174108675 /nfs/dbraw/zinc/10/86/75/174108675.db2.gz PKHJPJFTROQFMV-ZBFHGGJFSA-N 1 0 269.388 4.060 50 0 CIAARO c1ccc2c(c1)cccc2NCCC[NH+]1CCCCC1 ZINC000038307360 174139321 /nfs/dbraw/zinc/13/93/21/174139321.db2.gz RMHBODPKFOVCOP-UHFFFAOYSA-N 1 0 268.404 4.128 50 0 CIAARO COc1cccc(C[N@H+](C)[C@@H](C)c2ccc(F)cc2)c1 ZINC000040007501 174182664 /nfs/dbraw/zinc/18/26/64/174182664.db2.gz KWJJIAXGSGQSBV-ZDUSSCGKSA-N 1 0 273.351 4.027 50 0 CIAARO CCCOc1c(C[NH2+]CCC(C)C)cc(Cl)cc1OC ZINC000040722225 174385705 /nfs/dbraw/zinc/38/57/05/174385705.db2.gz OWVSLLXKEHYRRC-UHFFFAOYSA-N 1 0 299.842 4.273 50 0 CIAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cc1OC ZINC000045004359 175287884 /nfs/dbraw/zinc/28/78/84/175287884.db2.gz ZPVYLRUYDMBQAB-QGZVFWFLSA-N 1 0 297.398 4.041 50 0 CIAARO CCCCC[NH2+]Cc1cn(CCC)c2ccccc12 ZINC000045945223 175387729 /nfs/dbraw/zinc/38/77/29/175387729.db2.gz MBNRJCNXUWFMDJ-UHFFFAOYSA-N 1 0 258.409 4.331 50 0 CIAARO CC(C)CC[NH2+]Cc1cn(C(C)C)c2ccccc12 ZINC000045945162 175388060 /nfs/dbraw/zinc/38/80/60/175388060.db2.gz GSRZOPRPJQBDHR-UHFFFAOYSA-N 1 0 258.409 4.358 50 0 CIAARO c1cc2cc(C[N@@H+]3CCC[C@H]3c3ccccn3)ccc2o1 ZINC000072128450 176320936 /nfs/dbraw/zinc/32/09/36/176320936.db2.gz PXYLDTDJPBEAGX-KRWDZBQOSA-N 1 0 278.355 4.165 50 0 CIAARO Cc1cc[n+](CCC2CCCCC2)c2ccccc12 ZINC000072133458 176321547 /nfs/dbraw/zinc/32/15/47/176321547.db2.gz VGAONQLDZAYHAK-UHFFFAOYSA-N 1 0 254.397 4.406 50 0 CIAARO Clc1cccc(-c2cccc3c2CC[NH2+]C3)c1Cl ZINC000072149745 176326830 /nfs/dbraw/zinc/32/68/30/176326830.db2.gz KISVMXFLHIZYIL-UHFFFAOYSA-N 1 0 278.182 4.306 50 0 CIAARO Cc1nc(C[N@@H+]2CCCC[C@@H]2CCc2cccs2)co1 ZINC000077298387 177249998 /nfs/dbraw/zinc/24/99/98/177249998.db2.gz QYNJDBLUKHAKLM-OAHLLOKOSA-N 1 0 290.432 4.032 50 0 CIAARO CC(C)(C)c1ccc(OC2CC[NH2+]CC2)c(C(C)(C)C)c1 ZINC000020545468 260118720 /nfs/dbraw/zinc/11/87/20/260118720.db2.gz OHMGJYNXZJQPAC-UHFFFAOYSA-N 1 0 289.463 4.412 50 0 CIAARO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccco1 ZINC000023280533 266022695 /nfs/dbraw/zinc/02/26/95/266022695.db2.gz GIYCMYJLOBWZOS-NSHDSACASA-N 1 0 283.293 4.019 50 0 CIAARO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]Cc1ccoc1 ZINC000134286234 334086881 /nfs/dbraw/zinc/08/68/81/334086881.db2.gz NFDIQZMUDDQCQT-AWEZNQCLSA-N 1 0 257.377 4.126 50 0 CIAARO C[C@@H](c1cccc(-c2cnn(CC3CC3)c2)c1)[NH+]1CCCC1 ZINC000426465278 534075437 /nfs/dbraw/zinc/07/54/37/534075437.db2.gz SSGZEYZEBATPNM-HNNXBMFYSA-N 1 0 295.430 4.117 50 0 CIAARO CC[C@H]1C[N@@H+]2CCSc3c4ccccc4[nH]c3[C@@]2(C)C1 ZINC000004064931 529306212 /nfs/dbraw/zinc/30/62/12/529306212.db2.gz OUBVLROWASLLMT-SJKOYZFVSA-N 1 0 286.444 4.221 50 0 CIAARO C[NH2+][C@@H]1CC2(CCCCC2)c2sc(Cl)cc21 ZINC000239563067 566824782 /nfs/dbraw/zinc/82/47/82/566824782.db2.gz SGTOWJKIHJQCSF-SNVBAGLBSA-N 1 0 255.814 4.268 50 0 CIAARO CCCC[NH2+]CCOC(c1ccccc1)c1ccccc1 ZINC000005821321 566840362 /nfs/dbraw/zinc/84/03/62/566840362.db2.gz CEXXXDMZRVHLPZ-UHFFFAOYSA-N 1 0 283.415 4.182 50 0 CIAARO c1cnn(-c2ccc(C[NH2+]C3CCCCCCC3)cc2)c1 ZINC000035018667 566841528 /nfs/dbraw/zinc/84/15/28/566841528.db2.gz ZAYJRLMTWCRLLO-UHFFFAOYSA-N 1 0 283.419 4.075 50 0 CIAARO C[C@@H]([NH2+]Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000003897589 566853053 /nfs/dbraw/zinc/85/30/53/566853053.db2.gz PTVBPNGTMMKRJB-ZBKGVPMPSA-N 1 0 269.432 4.381 50 0 CIAARO CC1=[N+](Cc2ccccc2)c2ccccc2C1(C)C ZINC000001303819 566860717 /nfs/dbraw/zinc/86/07/17/566860717.db2.gz PRKMMGWAVNCZLA-UHFFFAOYSA-N 1 0 250.365 4.283 50 0 CIAARO COc1c(C)cc(C[NH2+]CC2(c3ccccc3)CC2)cc1C ZINC000084086219 566878410 /nfs/dbraw/zinc/87/84/10/566878410.db2.gz QZRGWKQFBGCRFS-UHFFFAOYSA-N 1 0 295.426 4.133 50 0 CIAARO FC(F)(F)c1ccc2c(c1)C[NH2+]CC21CCCCC1 ZINC000211577268 566882750 /nfs/dbraw/zinc/88/27/50/566882750.db2.gz VEIHWZUVVXQSBG-UHFFFAOYSA-N 1 0 269.310 4.011 50 0 CIAARO C[NH2+]Cc1ccccc1Cc1ccc(Cl)c(Cl)c1 ZINC000040954407 566917589 /nfs/dbraw/zinc/91/75/89/566917589.db2.gz TYVFKNAUSZXXJC-UHFFFAOYSA-N 1 0 280.198 4.304 50 0 CIAARO CCCCc1ccc([N+](=O)Nc2ccc(OC)cc2)cc1 ZINC000409415867 566924577 /nfs/dbraw/zinc/92/45/77/566924577.db2.gz KONLLPRFXZQCPD-UHFFFAOYSA-N 1 0 285.367 4.475 50 0 CIAARO C[C@@H]([NH2+]CCC1=CCCC1)c1nc2c(s1)CCCC2 ZINC000090798345 566958222 /nfs/dbraw/zinc/95/82/22/566958222.db2.gz XHBCXYVFNKFFDA-GFCCVEGCSA-N 1 0 276.449 4.173 50 0 CIAARO CS[C@@H]1CCCC[N@H+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000241440002 566967974 /nfs/dbraw/zinc/96/79/74/566967974.db2.gz NOHCVXTXNWKVKB-HZPDHXFCSA-N 1 0 297.508 4.086 50 0 CIAARO CCn1ncc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)c1C ZINC000426544295 566989442 /nfs/dbraw/zinc/98/94/42/566989442.db2.gz DOINLLRRFSPQHZ-AWEZNQCLSA-N 1 0 283.419 4.035 50 0 CIAARO CC(C)n1ccnc1-c1ccc([C@H](C)[NH+]2CCCC2)cc1 ZINC000426627851 566991779 /nfs/dbraw/zinc/99/17/79/566991779.db2.gz UXLZOYXMCFJRMS-HNNXBMFYSA-N 1 0 283.419 4.288 50 0 CIAARO c1ccc(Cc2nc3ccccc3n2-c2cc[nH+]cc2)cc1 ZINC000076043901 567028556 /nfs/dbraw/zinc/02/85/56/567028556.db2.gz COJLABMDLNRENF-UHFFFAOYSA-N 1 0 285.350 4.011 50 0 CIAARO C/C=C/c1ccc(OCCCC[NH2+][C@H](C)CC)c(OC)c1 ZINC000002823854 567037153 /nfs/dbraw/zinc/03/71/53/567037153.db2.gz IFURMBDRYANMMH-FUVBFXSKSA-N 1 0 291.435 4.275 50 0 CIAARO CC[C@H](C)[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000002825452 567037396 /nfs/dbraw/zinc/03/73/96/567037396.db2.gz FEJOYVXRHFMRAZ-QMMMGPOBSA-N 1 0 296.625 4.414 50 0 CIAARO C[C@H]([NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)c1ccccn1 ZINC000095419200 567039186 /nfs/dbraw/zinc/03/91/86/567039186.db2.gz HAGLOEOMHFVDDQ-WMLDXEAASA-N 1 0 294.398 4.179 50 0 CIAARO CC(C)[C@H](CC[NH2+]Cc1ccco1)[C@@H]1CCOC(C)(C)C1 ZINC000002107564 567044646 /nfs/dbraw/zinc/04/46/46/567044646.db2.gz HNVRQBGJTGWGDS-WBVHZDCISA-N 1 0 293.451 4.237 50 0 CIAARO Cc1ccc(-c2cncc(C[N@H+]3CCCC[C@@H]3C)c2)cc1 ZINC000037553884 567068111 /nfs/dbraw/zinc/06/81/11/567068111.db2.gz JQPILXHUDUPJIM-INIZCTEOSA-N 1 0 280.415 4.431 50 0 CIAARO c1ccc2c(c1)C[NH+](C[C@@H]1CCCOC1)Cc1ccccc1-2 ZINC000079109641 567122798 /nfs/dbraw/zinc/12/27/98/567122798.db2.gz UFMSIFLQIUWHKO-INIZCTEOSA-N 1 0 293.410 4.096 50 0 CIAARO CCCC(CCC)[N@H+](C)Cc1c(C)nc2sccn12 ZINC000095457086 567134636 /nfs/dbraw/zinc/13/46/36/567134636.db2.gz GPJAENZQZFBGPS-UHFFFAOYSA-N 1 0 279.453 4.105 50 0 CIAARO Cc1cccnc1C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000095466869 567136548 /nfs/dbraw/zinc/13/65/48/567136548.db2.gz RFNMAXWLXDNPSR-GOSISDBHSA-N 1 0 296.389 4.255 50 0 CIAARO CC[NH+](CC)C[C@@H](Oc1ccccc1)c1ccccc1 ZINC000096026675 567138368 /nfs/dbraw/zinc/13/83/68/567138368.db2.gz ZVHRJHWXVGKSLK-GOSISDBHSA-N 1 0 269.388 4.149 50 0 CIAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCn1ccc2ccccc21 ZINC000096027397 567138604 /nfs/dbraw/zinc/13/86/04/567138604.db2.gz YNJLFPPZYPOYSU-IYBDPMFKSA-N 1 0 270.420 4.294 50 0 CIAARO CCn1c2ccccc2c2c1[C@H](CC[NH+](C)C)CCC2 ZINC000096027862 567138767 /nfs/dbraw/zinc/13/87/67/567138767.db2.gz OSGHCMVFTSVFLH-AWEZNQCLSA-N 1 0 270.420 4.033 50 0 CIAARO C[NH+](C)CCOC1(c2cccc(Cl)c2)CCCCC1 ZINC000096026719 567139431 /nfs/dbraw/zinc/13/94/31/567139431.db2.gz VIRCWPNHGOEMSD-UHFFFAOYSA-N 1 0 281.827 4.078 50 0 CIAARO CC1=Nc2c(ccc3c2C(C)(C)C(C)=[N+]3C)C1(C)C ZINC000027987904 567145982 /nfs/dbraw/zinc/14/59/82/567145982.db2.gz HPKGTGVXOOJCAY-UHFFFAOYSA-N 1 0 255.385 4.096 50 0 CIAARO CC[N@@H+](Cc1ccccc1)Cn1c2ccccc2oc1=S ZINC000003258546 567166157 /nfs/dbraw/zinc/16/61/57/567166157.db2.gz MTNRLHXSLSGZLF-UHFFFAOYSA-N 1 0 298.411 4.443 50 0 CIAARO CC(C)Oc1ccc([C@@H](CC[NH3+])Cc2ccccc2)cc1 ZINC000004041497 567185684 /nfs/dbraw/zinc/18/56/84/567185684.db2.gz PWJVIIWTUGCWHL-SFHVURJKSA-N 1 0 283.415 4.149 50 0 CIAARO CC(C)(C)[C@@H](CC[NH2+][C@H]1CCOC(C)(C)C1)c1ccco1 ZINC000032092937 567187630 /nfs/dbraw/zinc/18/76/30/567187630.db2.gz TWMBUKLLCOVEES-GJZGRUSLSA-N 1 0 293.451 4.347 50 0 CIAARO Cc1ccc(Oc2ccc(C[NH+]3CCCCC3)o2)cc1 ZINC000000052231 567817163 /nfs/dbraw/zinc/81/71/63/567817163.db2.gz BHNMBHTWNUNJQL-UHFFFAOYSA-N 1 0 271.360 4.366 50 0 CIAARO C1=C(c2ccc3c(c2)c2c4n3CC[NH2+][C@H]4CCC2)CCC1 ZINC000000213034 567822667 /nfs/dbraw/zinc/82/26/67/567822667.db2.gz QQIINHRJQQSNNY-KRWDZBQOSA-N 1 0 278.399 4.189 50 0 CIAARO CC[C@@H]1C=C(c2ccccc2)C=C[NH+]=C1N(CC)CC ZINC000000343281 567826079 /nfs/dbraw/zinc/82/60/79/567826079.db2.gz YFBTWISULVPSAR-OAHLLOKOSA-N 1 0 268.404 4.364 50 0 CIAARO c1ccc(-c2ccc(C[NH2+]Cc3ccncc3)cc2)cc1 ZINC000000360305 567826781 /nfs/dbraw/zinc/82/67/81/567826781.db2.gz JJRWNTNMUIEKFX-UHFFFAOYSA-N 1 0 274.367 4.038 50 0 CIAARO C[NH+]1CCC(Sc2nc(Cl)cc3ccccc32)CC1 ZINC000000390542 567828764 /nfs/dbraw/zinc/82/87/64/567828764.db2.gz MTEYHYGUCOQUIE-UHFFFAOYSA-N 1 0 292.835 4.075 50 0 CIAARO C[C@@H]([NH2+]C1CCSCC1)c1ccc2c(c1)CCCC2 ZINC000035011872 567836461 /nfs/dbraw/zinc/83/64/61/567836461.db2.gz HHNOWMVYRCEMDV-CYBMUJFWSA-N 1 0 275.461 4.112 50 0 CIAARO CCCCCC[NH2+]Cc1ccc(Br)cc1 ZINC000002178101 567845081 /nfs/dbraw/zinc/84/50/81/567845081.db2.gz OOGMQHWTOPGICQ-UHFFFAOYSA-N 1 0 270.214 4.119 50 0 CIAARO CC[NH+](CC)CCCCOc1cc(C)cc(C)c1C ZINC000002494242 567846020 /nfs/dbraw/zinc/84/60/20/567846020.db2.gz NHGHDCGNJIPCHV-UHFFFAOYSA-N 1 0 263.425 4.113 50 0 CIAARO Cc1ccccc1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000002514490 567846428 /nfs/dbraw/zinc/84/64/28/567846428.db2.gz WMDRKNUTYFYMGJ-UHFFFAOYSA-N 1 0 293.410 4.212 50 0 CIAARO Clc1ccc(-n2cc[n+](-c3ccc(Cl)cc3)c2)cc1 ZINC000002510892 567846471 /nfs/dbraw/zinc/84/64/71/567846471.db2.gz SMERAQBSTGTHMP-UHFFFAOYSA-N 1 0 290.173 4.061 50 0 CIAARO C[NH2+][C@@H](C)c1ccccc1Oc1cccc(Cl)c1 ZINC000034666055 567848888 /nfs/dbraw/zinc/84/88/88/567848888.db2.gz BTBHKIUUQSSFGT-NSHDSACASA-N 1 0 261.752 4.413 50 0 CIAARO CC[C@H](C)[NH2+]CCCOc1ccc(C(C)(C)C)cc1C ZINC000002823111 567849453 /nfs/dbraw/zinc/84/94/53/567849453.db2.gz BLUHJGLGJSEQPT-HNNXBMFYSA-N 1 0 277.452 4.450 50 0 CIAARO CCCC[NH2+][C@H](C)CC[C@@H](C)Oc1ccccc1C ZINC000002931758 567850506 /nfs/dbraw/zinc/85/05/06/567850506.db2.gz HZERXGCDHSVEFF-HZPDHXFCSA-N 1 0 263.425 4.321 50 0 CIAARO Cc1cccc(C)c1OCCCC[NH+]1CCC(C)CC1 ZINC000002956391 567850707 /nfs/dbraw/zinc/85/07/07/567850707.db2.gz PFURVWHSZZQPPP-UHFFFAOYSA-N 1 0 275.436 4.194 50 0 CIAARO CC(C)[NH2+]CCCCOc1ccc(Cl)c(Cl)c1 ZINC000003002055 567851156 /nfs/dbraw/zinc/85/11/56/567851156.db2.gz BTOZMJFMDDECGM-UHFFFAOYSA-N 1 0 276.207 4.150 50 0 CIAARO Cc1ccc(C(C)C)c(OCC[NH2+]Cc2ccccc2)c1 ZINC000003003610 567851315 /nfs/dbraw/zinc/85/13/15/567851315.db2.gz KALKXMHASZVKLK-UHFFFAOYSA-N 1 0 283.415 4.287 50 0 CIAARO Clc1ccc(N2CC[NH+](C3CCCCCC3)CC2)cc1 ZINC000003683603 567853781 /nfs/dbraw/zinc/85/37/81/567853781.db2.gz VHPFJWKIVHOQCZ-UHFFFAOYSA-N 1 0 292.854 4.185 50 0 CIAARO C(=C/c1ccccc1)\C[NH2+]CCc1c[nH]c2ccccc12 ZINC000004488621 567857696 /nfs/dbraw/zinc/85/76/96/567857696.db2.gz HXFLQBANGDSGQG-RMKNXTFCSA-N 1 0 276.383 4.013 50 0 CIAARO c1ccc(COc2ccccc2C[NH2+]C2CCCC2)cc1 ZINC000004657430 567858787 /nfs/dbraw/zinc/85/87/87/567858787.db2.gz LSMCLGNVWOCDKA-UHFFFAOYSA-N 1 0 281.399 4.298 50 0 CIAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+]C(C)C)o1 ZINC000010436274 567861751 /nfs/dbraw/zinc/86/17/51/567861751.db2.gz ZGTFEROYQZWNRZ-UHFFFAOYSA-N 1 0 263.768 4.406 50 0 CIAARO Cc1c([C@@H](C)[NH2+]Cc2ccccc2)cnn1-c1ccccc1 ZINC000011998682 567862225 /nfs/dbraw/zinc/86/22/25/567862225.db2.gz RVTPICDSUOOGMU-OAHLLOKOSA-N 1 0 291.398 4.032 50 0 CIAARO CC(C)c1c[nH]nc1[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012098400 567862242 /nfs/dbraw/zinc/86/22/42/567862242.db2.gz SFHHVNRILINVRG-INIZCTEOSA-N 1 0 289.467 4.293 50 0 CIAARO O=C(c1cccc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000012023197 567862309 /nfs/dbraw/zinc/86/23/09/567862309.db2.gz YZZZCDZBYLHNLN-MRXNPFEDSA-N 1 0 293.410 4.287 50 0 CIAARO C[N@@H+]1CCc2c3ccccc3[nH]c2[C@H]1C1CCCCC1 ZINC000012717613 567863977 /nfs/dbraw/zinc/86/39/77/567863977.db2.gz KZJDYTNSQHXOKK-GOSISDBHSA-N 1 0 268.404 4.277 50 0 CIAARO Clc1ccc(CC[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000013721280 567867404 /nfs/dbraw/zinc/86/74/04/567867404.db2.gz GGKGIRACBDFVIM-UHFFFAOYSA-N 1 0 280.198 4.326 50 0 CIAARO CCCCOCCC[NH2+]Cc1ccc(OCC)c(Cl)c1 ZINC000013720160 567867430 /nfs/dbraw/zinc/86/74/30/567867430.db2.gz MQRKGSRMDNUZGA-UHFFFAOYSA-N 1 0 299.842 4.035 50 0 CIAARO Cc1[nH]c2cc(C)ccc2c1C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000013810960 567867929 /nfs/dbraw/zinc/86/79/29/567867929.db2.gz RWSKYXGTZCYANP-HIFRSBDPSA-N 1 0 298.430 4.088 50 0 CIAARO O=C(CC[NH+]1CCCCCC1)Nc1cccc2ccccc21 ZINC000032870662 567869716 /nfs/dbraw/zinc/86/97/16/567869716.db2.gz FSQDWOXPUCKSBM-UHFFFAOYSA-N 1 0 296.414 4.044 50 0 CIAARO O=C(c1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014961612 567869834 /nfs/dbraw/zinc/86/98/34/567869834.db2.gz RJZUIWNAWGHYLY-CQSZACIVSA-N 1 0 291.822 4.177 50 0 CIAARO C[N@@H+]1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 ZINC000015071584 567870239 /nfs/dbraw/zinc/87/02/39/567870239.db2.gz JCSVJRNJGQZJFU-MRXNPFEDSA-N 1 0 297.373 4.017 50 0 CIAARO CSc1ccc(CN2CCC[C@@H]2c2cc(C)on2)cc1 ZINC000015866907 567871548 /nfs/dbraw/zinc/87/15/48/567871548.db2.gz LQEBWXHONRKRAH-MRXNPFEDSA-N 1 0 288.416 4.042 50 0 CIAARO CSc1ccc(CN2CCC[C@H]2c2cc(C)on2)cc1 ZINC000015866908 567871617 /nfs/dbraw/zinc/87/16/17/567871617.db2.gz LQEBWXHONRKRAH-INIZCTEOSA-N 1 0 288.416 4.042 50 0 CIAARO Brc1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000016401542 567872560 /nfs/dbraw/zinc/87/25/60/567872560.db2.gz POKRVDVGCZIOSU-UHFFFAOYSA-N 1 0 282.225 4.262 50 0 CIAARO Clc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1 ZINC000019688770 567878444 /nfs/dbraw/zinc/87/84/44/567878444.db2.gz ILKMFTINEKPIRM-MRXNPFEDSA-N 1 0 282.774 4.056 50 0 CIAARO Cc1ccc(C)c(OCC[NH2+]Cc2ccccc2Cl)c1 ZINC000019737603 567878544 /nfs/dbraw/zinc/87/85/44/567878544.db2.gz ILPNVCUZQOLYNW-UHFFFAOYSA-N 1 0 289.806 4.125 50 0 CIAARO C[C@H](C[NH2+]C1CCCCC1)Oc1ccc(Cl)cc1 ZINC000019737920 567878659 /nfs/dbraw/zinc/87/86/59/567878659.db2.gz KQKPXZCVEUXFKA-GFCCVEGCSA-N 1 0 267.800 4.030 50 0 CIAARO CCC(CC)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000019883826 567879672 /nfs/dbraw/zinc/87/96/72/567879672.db2.gz HGBSBUUHSZJEFJ-JTQLQIEISA-N 1 0 270.214 4.288 50 0 CIAARO Cc1cc(OCCCC[NH+]2CCCC2)cc(C)c1Cl ZINC000023550147 567881981 /nfs/dbraw/zinc/88/19/81/567881981.db2.gz PHLFIHHWNMJAPV-UHFFFAOYSA-N 1 0 281.827 4.212 50 0 CIAARO CC(C)c1nc(C[N@@H+]2CC[C@H](c3ccccc3)C2)cs1 ZINC000069897074 567882284 /nfs/dbraw/zinc/88/22/84/567882284.db2.gz ONRIUGIEGUMONQ-HNNXBMFYSA-N 1 0 286.444 4.256 50 0 CIAARO CSCC[C@H](C)[N@H+](C)Cc1cccc2ccccc21 ZINC000072290442 567884283 /nfs/dbraw/zinc/88/42/83/567884283.db2.gz CIQIVYMNRUOHTF-AWEZNQCLSA-N 1 0 273.445 4.413 50 0 CIAARO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000032117869 567885918 /nfs/dbraw/zinc/88/59/18/567885918.db2.gz XYZCXENLMCBGDD-HNNXBMFYSA-N 1 0 269.388 4.325 50 0 CIAARO C[C@H](CCCC(C)(C)O)CC[NH2+][C@@H](C)Cc1ccsc1 ZINC000032603594 567886344 /nfs/dbraw/zinc/88/63/44/567886344.db2.gz CQDXXQXLAOKWOK-CABCVRRESA-N 1 0 297.508 4.236 50 0 CIAARO Cc1nn(C)cc1C[N@@H+]1CCCCC[C@@H]1c1ccc(C)cc1 ZINC000033087097 567886414 /nfs/dbraw/zinc/88/64/14/567886414.db2.gz ZVSAPTDIJBLRCZ-LJQANCHMSA-N 1 0 297.446 4.154 50 0 CIAARO C[C@H]([NH3+])c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000019873570 567886908 /nfs/dbraw/zinc/88/69/08/567886908.db2.gz IHDILYJLGWFJRR-JTQLQIEISA-N 1 0 292.176 4.261 50 0 CIAARO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccccc1 ZINC000033829087 567886893 /nfs/dbraw/zinc/88/68/93/567886893.db2.gz FSLXHGVLOIOQJK-ZDUSSCGKSA-N 1 0 293.332 4.426 50 0 CIAARO CC(C)=CCCCCCC[N@@H+](C)CCc1ccccn1 ZINC000002498308 567887747 /nfs/dbraw/zinc/88/77/47/567887747.db2.gz HTJQPMPTLOBAPC-UHFFFAOYSA-N 1 0 274.452 4.473 50 0 CIAARO c1ccc(CCNc2c3c([nH+]c4ccccc42)CCC3)cc1 ZINC000000991587 567887771 /nfs/dbraw/zinc/88/77/71/567887771.db2.gz VQNMKJMMWDJPRM-UHFFFAOYSA-N 1 0 288.394 4.378 50 0 CIAARO Cc1ccccc1C[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000022023227 567887936 /nfs/dbraw/zinc/88/79/36/567887936.db2.gz PKJZRSLIPMDVIS-GOSISDBHSA-N 1 0 266.388 4.117 50 0 CIAARO Cc1cccc(N2CC[NH+](CC3CCCCC3)CC2)c1C ZINC000006667528 567888177 /nfs/dbraw/zinc/88/81/77/567888177.db2.gz JSUJCDQTGDMTMK-UHFFFAOYSA-N 1 0 286.463 4.006 50 0 CIAARO CC[NH+](CC)CCCOc1ccc(Cl)c(Cl)c1 ZINC000003000375 567888357 /nfs/dbraw/zinc/88/83/57/567888357.db2.gz OSUVDSBKOMZRNS-UHFFFAOYSA-N 1 0 276.207 4.104 50 0 CIAARO CCc1ccccc1OCCCC[NH+]1CCC(C)CC1 ZINC000002955072 567888429 /nfs/dbraw/zinc/88/84/29/567888429.db2.gz FYHOGOKTXSEWIO-UHFFFAOYSA-N 1 0 275.436 4.140 50 0 CIAARO CC[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000036818905 567889560 /nfs/dbraw/zinc/88/95/60/567889560.db2.gz AVOAUIXXFQOUQO-UHFFFAOYSA-N 1 0 269.266 4.075 50 0 CIAARO Cc1cc(C(C)(C)C)ccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000036970063 567889887 /nfs/dbraw/zinc/88/98/87/567889887.db2.gz JHGMWLFTSRSMTD-INIZCTEOSA-N 1 0 275.436 4.204 50 0 CIAARO Cc1ccc(C(C)C)c(OCCC[NH2+]Cc2cccnc2)c1 ZINC000037867534 567890359 /nfs/dbraw/zinc/89/03/59/567890359.db2.gz VYBHFDANHRMJGZ-UHFFFAOYSA-N 1 0 298.430 4.072 50 0 CIAARO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038002180 567890364 /nfs/dbraw/zinc/89/03/64/567890364.db2.gz QYIXTDJWYWYQCC-BDAKNGLRSA-N 1 0 276.243 4.206 50 0 CIAARO CC(C)OCCC[NH2+]Cc1cc(Cl)ccc1OC(C)C ZINC000040730426 567890929 /nfs/dbraw/zinc/89/09/29/567890929.db2.gz OVFYAQLCODXLBM-UHFFFAOYSA-N 1 0 299.842 4.032 50 0 CIAARO c1ccc(-c2ccccc2OCC[C@H]2CCC[NH2+]C2)cc1 ZINC000042772416 567891560 /nfs/dbraw/zinc/89/15/60/567891560.db2.gz TVVWCKRBWVVXFN-MRXNPFEDSA-N 1 0 281.399 4.122 50 0 CIAARO c1ccc(-c2ccc(OCC[C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC000042773083 567891630 /nfs/dbraw/zinc/89/16/30/567891630.db2.gz LROHDQHRQYYWSI-INIZCTEOSA-N 1 0 281.399 4.122 50 0 CIAARO Clc1cc(Cl)c(OC2CC[NH2+]CC2)c2ccccc12 ZINC000042774502 567891702 /nfs/dbraw/zinc/89/17/02/567891702.db2.gz TUWOBYGKWAJAFX-UHFFFAOYSA-N 1 0 296.197 4.277 50 0 CIAARO CCC(C)(C)c1ccc(OC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775300 567892191 /nfs/dbraw/zinc/89/21/91/567892191.db2.gz PRJYAWUSEKQKPZ-ZDUSSCGKSA-N 1 0 295.854 4.406 50 0 CIAARO Clc1ccc(C[NH2+]Cc2cccs2)c(Cl)c1 ZINC000057274466 567894936 /nfs/dbraw/zinc/89/49/36/567894936.db2.gz MQFGHFUOFNIQQW-UHFFFAOYSA-N 1 0 272.200 4.345 50 0 CIAARO Cc1ccc(C[NH2+]Cc2ccccc2C(F)(F)F)cc1 ZINC000057364351 567895175 /nfs/dbraw/zinc/89/51/75/567895175.db2.gz LMUYPYBGOKBORW-UHFFFAOYSA-N 1 0 279.305 4.304 50 0 CIAARO Cc1cnc([C@@H]([NH2+]Cc2cccc3[nH]ccc32)C2CC2)s1 ZINC000096429080 567897393 /nfs/dbraw/zinc/89/73/93/567897393.db2.gz YWLRKDMACPCMMA-INIZCTEOSA-N 1 0 297.427 4.174 50 0 CIAARO CCc1cc([C@H]2CCCN2Cc2ccc(Cl)cc2)on1 ZINC000064667040 567897919 /nfs/dbraw/zinc/89/79/19/567897919.db2.gz OVIKNLLBRQDVHB-OAHLLOKOSA-N 1 0 290.794 4.228 50 0 CIAARO C/C(=C\c1ccccc1)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000065405679 567899014 /nfs/dbraw/zinc/89/90/14/567899014.db2.gz GAOWSVJOJMDUGS-ASNKMWSDSA-N 1 0 266.388 4.178 50 0 CIAARO C[C@H](c1cccs1)[N@H+](C)Cc1ccc2ccccc2n1 ZINC000065404640 567899229 /nfs/dbraw/zinc/89/92/29/567899229.db2.gz VEZGDDMGPINFGW-CYBMUJFWSA-N 1 0 282.412 4.489 50 0 CIAARO COc1ccc(C[NH2+]C2CCCC2)cc1-c1ccc(O)cc1 ZINC000067674553 567900266 /nfs/dbraw/zinc/90/02/66/567900266.db2.gz CDTVYGAHWOFQBK-UHFFFAOYSA-N 1 0 297.398 4.100 50 0 CIAARO Cc1cc(C)c(-[n+]2csc3c2CCCCC3)c(C)c1 ZINC000071773556 567902063 /nfs/dbraw/zinc/90/20/63/567902063.db2.gz IRJLJZCXBCKFMB-UHFFFAOYSA-N 1 0 272.437 4.219 50 0 CIAARO Cc1nccc(-c2ccccc2)c1C(=[NH2+])Nc1ccccc1 ZINC000072447001 567902676 /nfs/dbraw/zinc/90/26/76/567902676.db2.gz HCCLRSVODXTHRR-UHFFFAOYSA-N 1 0 287.366 4.494 50 0 CIAARO CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000097164478 567905452 /nfs/dbraw/zinc/90/54/52/567905452.db2.gz ZLYLNQCODJGKTC-JYJNAYRXSA-N 1 0 258.409 4.067 50 0 CIAARO CC[C@@H]([NH2+][C@@H](CC)c1ccncc1)c1ccc(F)cc1 ZINC000097228409 567905842 /nfs/dbraw/zinc/90/58/42/567905842.db2.gz RVPNYVJWZXUTGK-SJORKVTESA-N 1 0 272.367 4.413 50 0 CIAARO Clc1cc(C[NH2+]C2CCCC2)ccc1Br ZINC000088125900 567907362 /nfs/dbraw/zinc/90/73/62/567907362.db2.gz RMSBJCYDIKDVLU-UHFFFAOYSA-N 1 0 288.616 4.135 50 0 CIAARO C[NH2+][C@H](c1cc2cc(Br)cc(C)c2o1)C(C)C ZINC000088075732 567907367 /nfs/dbraw/zinc/90/73/67/567907367.db2.gz WFVFFMCXZLTUFJ-ZDUSSCGKSA-N 1 0 296.208 4.420 50 0 CIAARO C1=C2CCc3c4ccccc4[nH]c3[C@H]2N(c2ccccc2)[NH2+]1 ZINC000000287025 567925960 /nfs/dbraw/zinc/92/59/60/567925960.db2.gz JBLKNMPGVAJGTP-IBGZPJMESA-N 1 0 287.366 4.064 50 0 CIAARO C[C@H](CCC[NH+]1CCCCC1)Sc1ccc(O)cc1 ZINC000000273078 567926241 /nfs/dbraw/zinc/92/62/41/567926241.db2.gz RRDAEMQYVJNJDR-CQSZACIVSA-N 1 0 279.449 4.139 50 0 CIAARO C[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2[C@@H]3CC=CC[C@H]3C[N@@H+]21 ZINC000248337406 567928790 /nfs/dbraw/zinc/92/87/90/567928790.db2.gz PVBRJYQZDMXBMF-QJNYJZHLSA-N 1 0 278.399 4.052 50 0 CIAARO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1C[C@H]1c1ccccc1 ZINC000253427307 567930607 /nfs/dbraw/zinc/93/06/07/567930607.db2.gz DZBJOCMBUKBLIO-LNMJFAINSA-N 1 0 265.400 4.324 50 0 CIAARO CCCC[C@@H]1C[N@@H+]2CCc3c4ccccc4[nH]c3[C@]2(C)C1 ZINC000002097560 567931602 /nfs/dbraw/zinc/93/16/02/567931602.db2.gz XFRKOROYPDUFGL-LIRRHRJNSA-N 1 0 282.431 4.451 50 0 CIAARO c1[nH]c2ccc(-c3ccccc3)cc2c1C1CC[NH2+]CC1 ZINC000062319180 567932382 /nfs/dbraw/zinc/93/23/82/567932382.db2.gz IQAUPMBNBRQPHF-UHFFFAOYSA-N 1 0 276.383 4.302 50 0 CIAARO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000002894038 567937824 /nfs/dbraw/zinc/93/78/24/567937824.db2.gz FDIYWYKSXVYXQM-ZDUSSCGKSA-N 1 0 289.806 4.069 50 0 CIAARO COc1ccc(CC[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)cc1 ZINC000004022950 567938062 /nfs/dbraw/zinc/93/80/62/567938062.db2.gz YYMKRIBXWAIABL-MPGHIAIKSA-N 1 0 275.436 4.185 50 0 CIAARO COC[C@@](C)([NH2+]Cc1cc(C)sc1C)c1ccccc1 ZINC000181091827 567938180 /nfs/dbraw/zinc/93/81/80/567938180.db2.gz UOWMHSADSRXUDR-QGZVFWFLSA-N 1 0 289.444 4.016 50 0 CIAARO CC(C)(C)[NH2+]CCCCOc1ccc2ccccc2c1 ZINC000005632420 567938674 /nfs/dbraw/zinc/93/86/74/567938674.db2.gz CJSTYELFLLKSSR-UHFFFAOYSA-N 1 0 271.404 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/nfs/dbraw/zinc/14/30/26/170143026.db2.gz UATZTAXEBGQNIS-UHFFFAOYSA-N 1 0 287.378 4.150 50 0 CIAARO CC[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000005907283 170153732 /nfs/dbraw/zinc/15/37/32/170153732.db2.gz NDQFYTAWDJPGQB-OAHLLOKOSA-N 1 0 269.388 4.154 50 0 CIAARO C[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000005910034 170153747 /nfs/dbraw/zinc/15/37/47/170153747.db2.gz VKXAOTOGZYLPBH-UHFFFAOYSA-N 1 0 296.197 4.292 50 0 CIAARO C[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000005910046 170154559 /nfs/dbraw/zinc/15/45/59/170154559.db2.gz VIACNFIIAZSFCN-UHFFFAOYSA-N 1 0 296.197 4.292 50 0 CIAARO CCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000006324164 170191352 /nfs/dbraw/zinc/19/13/52/170191352.db2.gz FCHXSYFHBNDOSP-UHFFFAOYSA-N 1 0 289.806 4.419 50 0 CIAARO COC(=O)c1cccc(Nc2cc(C)[nH+]c3ccccc23)c1 ZINC000006389857 170197343 /nfs/dbraw/zinc/19/73/43/170197343.db2.gz BZYYNWKOZHTCTB-UHFFFAOYSA-N 1 0 292.338 4.073 50 0 CIAARO CCC[NH2+]Cc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000006430915 170201152 /nfs/dbraw/zinc/20/11/52/170201152.db2.gz ZVBGTXYJGWFMDE-UHFFFAOYSA-N 1 0 299.414 4.164 50 0 CIAARO CC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000006497334 170207066 /nfs/dbraw/zinc/20/70/66/170207066.db2.gz BFWXNYMHGPAKLL-UHFFFAOYSA-N 1 0 275.779 4.029 50 0 CIAARO C[NH+](C)Cc1cc(F)ccc1Sc1cccc(F)c1 ZINC000006637757 170220832 /nfs/dbraw/zinc/22/08/32/170220832.db2.gz IUWAJISJIXPPDC-UHFFFAOYSA-N 1 0 279.355 4.178 50 0 CIAARO [NH3+]C[C@H](c1c[nH]c2ccccc21)c1c(F)cccc1Cl ZINC000006645706 170221998 /nfs/dbraw/zinc/22/19/98/170221998.db2.gz FMWRUNBSHPPKHP-LLVKDONJSA-N 1 0 288.753 4.051 50 0 CIAARO COc1ccc(Cl)cc1C[NH2+][C@H](C)c1ccccc1 ZINC000006730256 170234825 /nfs/dbraw/zinc/23/48/25/170234825.db2.gz XDXKWIONMXWMCP-GFCCVEGCSA-N 1 0 275.779 4.199 50 0 CIAARO CC(C)(C)[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000006882598 170252797 /nfs/dbraw/zinc/25/27/97/170252797.db2.gz PVWTZCYVFCZWJH-UHFFFAOYSA-N 1 0 287.378 4.293 50 0 CIAARO CCOCCC[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000007524830 170288767 /nfs/dbraw/zinc/28/87/67/170288767.db2.gz ZKYSTJCZIXMNPB-UHFFFAOYSA-N 1 0 293.794 4.116 50 0 CIAARO CCOc1ccccc1C[NH2+]C1CCCCCCC1 ZINC000007523319 170288811 /nfs/dbraw/zinc/28/88/11/170288811.db2.gz PDQNGMWBYJJVAA-UHFFFAOYSA-N 1 0 261.409 4.288 50 0 CIAARO CC[C@H](C)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000007524611 170288964 /nfs/dbraw/zinc/28/89/64/170288964.db2.gz RJRSMJLLZSJHKV-NSHDSACASA-N 1 0 263.768 4.488 50 0 CIAARO c1c2ccccc2oc1C[NH2+]CCSc1ccccc1 ZINC000007986236 170312121 /nfs/dbraw/zinc/31/21/21/170312121.db2.gz HHNVAUSTZGUCQI-UHFFFAOYSA-N 1 0 283.396 4.315 50 0 CIAARO C(C[NH2+]C1C2CC3CC(C2)CC1C3)COC1CCCCC1 ZINC000007988628 170312160 /nfs/dbraw/zinc/31/21/60/170312160.db2.gz IBLWWBNWTLTCOV-UHFFFAOYSA-N 1 0 291.479 4.140 50 0 CIAARO CSc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000008496842 170338244 /nfs/dbraw/zinc/33/82/44/170338244.db2.gz ZHRZGUPXAUYFQC-UHFFFAOYSA-N 1 0 287.472 4.323 50 0 CIAARO Cc1c2c(c(C)n1-c1ccccc1)C1(CCCC1)[NH2+]CC2 ZINC000009378968 170375491 /nfs/dbraw/zinc/37/54/91/170375491.db2.gz DFHHFJASQHXQAQ-UHFFFAOYSA-N 1 0 280.415 4.009 50 0 CIAARO CCOc1c(Cl)cc(C[NH2+]C(C)(C)C)cc1Cl ZINC000010435760 170406684 /nfs/dbraw/zinc/40/66/84/170406684.db2.gz TYRSNZLUZHQSAQ-UHFFFAOYSA-N 1 0 276.207 4.280 50 0 CIAARO CCCCCC[NH2+]Cc1ccc(OCC)c(Cl)c1 ZINC000010474842 170408210 /nfs/dbraw/zinc/40/82/10/170408210.db2.gz GICKPDULDQTFGJ-UHFFFAOYSA-N 1 0 269.816 4.409 50 0 CIAARO Cc1ccccc1C[NH2+][C@H](C)CCc1ccccc1 ZINC000013718238 170581450 /nfs/dbraw/zinc/58/14/50/170581450.db2.gz VVMIIVCLNBHADC-MRXNPFEDSA-N 1 0 253.389 4.106 50 0 CIAARO C[C@H](C[NH2+]CCc1ccc(Cl)cc1)c1ccccc1 ZINC000013721507 170581595 /nfs/dbraw/zinc/58/15/95/170581595.db2.gz JLBFHTLVEZMYRO-CQSZACIVSA-N 1 0 273.807 4.276 50 0 CIAARO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(Cl)cc1 ZINC000013725225 170582326 /nfs/dbraw/zinc/58/23/26/170582326.db2.gz SJBMJJSMCAJZPW-CQSZACIVSA-N 1 0 273.807 4.451 50 0 CIAARO Cc1ccc(OCC[NH2+][C@@H](C)c2ccccc2)cc1C ZINC000019737857 170850811 /nfs/dbraw/zinc/85/08/11/170850811.db2.gz GACMUGGVXOTCHG-INIZCTEOSA-N 1 0 269.388 4.033 50 0 CIAARO Cc1cccc(C[NH2+][C@@H](C)CCc2ccccc2)c1 ZINC000019992336 170962947 /nfs/dbraw/zinc/96/29/47/170962947.db2.gz WYCPJFGXGAVCAG-INIZCTEOSA-N 1 0 253.389 4.106 50 0 CIAARO C[C@@H]([NH2+]Cc1cccnc1)c1cccc2ccccc21 ZINC000020140730 171028018 /nfs/dbraw/zinc/02/80/18/171028018.db2.gz NNWOAKJUJDCVDK-CQSZACIVSA-N 1 0 262.356 4.086 50 0 CIAARO Cc1cc(OCC[C@@H]2CCCC[NH2+]2)ccc1C(C)C ZINC000020221531 171082987 /nfs/dbraw/zinc/08/29/87/171082987.db2.gz ITWYCQSZIXXIFF-HNNXBMFYSA-N 1 0 261.409 4.029 50 0 CIAARO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000020523303 171235920 /nfs/dbraw/zinc/23/59/20/171235920.db2.gz ZLDFRHYSKSVRAJ-MNOVXSKESA-N 1 0 270.214 4.144 50 0 CIAARO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000020523305 171236088 /nfs/dbraw/zinc/23/60/88/171236088.db2.gz ZLDFRHYSKSVRAJ-GHMZBOCLSA-N 1 0 270.214 4.144 50 0 CIAARO CC(C)[C@@H](C)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000020523298 171236137 /nfs/dbraw/zinc/23/61/37/171236137.db2.gz HMHOSIVUHLORTE-MNOVXSKESA-N 1 0 270.214 4.144 50 0 CIAARO CCCC[NH2+]Cc1ccccc1OCc1ccc(C)cc1 ZINC000020873593 171277374 /nfs/dbraw/zinc/27/73/74/171277374.db2.gz DAMVTWLGZIUPHK-UHFFFAOYSA-N 1 0 283.415 4.464 50 0 CIAARO CCCOc1ccccc1C[NH2+][C@@H](C)c1ccccc1 ZINC000020924342 171279728 /nfs/dbraw/zinc/27/97/28/171279728.db2.gz MREWIUAEWUGLEO-HNNXBMFYSA-N 1 0 269.388 4.326 50 0 CIAARO CCCOc1cccc(C[NH2+]Cc2ccc(C)cc2)c1 ZINC000020925006 171280106 /nfs/dbraw/zinc/28/01/06/171280106.db2.gz NISFXZDGJPTIPS-UHFFFAOYSA-N 1 0 269.388 4.074 50 0 CIAARO CCCOc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000020925170 171280121 /nfs/dbraw/zinc/28/01/21/171280121.db2.gz GJMKQMMDOSJMMC-UHFFFAOYSA-N 1 0 299.458 4.390 50 0 CIAARO CCCCC[NH2+]Cc1cc(Cl)ccc1OCCC ZINC000020928829 171280463 /nfs/dbraw/zinc/28/04/63/171280463.db2.gz LFWGHHRYOROCFN-UHFFFAOYSA-N 1 0 269.816 4.409 50 0 CIAARO CCC(C)(C)[NH2+]Cc1cc(Cl)c(OC)c(Cl)c1 ZINC000020928649 171280483 /nfs/dbraw/zinc/28/04/83/171280483.db2.gz NSRBMGUMABJCCD-UHFFFAOYSA-N 1 0 276.207 4.280 50 0 CIAARO CCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCC ZINC000020930143 171280988 /nfs/dbraw/zinc/28/09/88/171280988.db2.gz BTPQEJSMTCBOTN-UHFFFAOYSA-N 1 0 276.207 4.282 50 0 CIAARO CCCOc1c(Cl)cc(C[NH2+]C(C)(C)C)cc1OCC ZINC000020931789 171281207 /nfs/dbraw/zinc/28/12/07/171281207.db2.gz QJABKCCUOMFKHH-UHFFFAOYSA-N 1 0 299.842 4.416 50 0 CIAARO CCn1cc(C[NH2+]Cc2ccc(F)cc2)c2ccccc21 ZINC000020935161 171281646 /nfs/dbraw/zinc/28/16/46/171281646.db2.gz GTZXEZZQHZNZMJ-UHFFFAOYSA-N 1 0 282.362 4.090 50 0 CIAARO CCOc1ccccc1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000021506892 171308102 /nfs/dbraw/zinc/30/81/02/171308102.db2.gz SVNUISLMAAAZMS-GOSISDBHSA-N 1 0 281.399 4.253 50 0 CIAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(C)c(C)c1 ZINC000021720727 171320320 /nfs/dbraw/zinc/32/03/20/171320320.db2.gz VKPGAVBMALXDAM-KRWDZBQOSA-N 1 0 298.430 4.499 50 0 CIAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1C ZINC000021720755 171320345 /nfs/dbraw/zinc/32/03/45/171320345.db2.gz NHPJSVXNJYLKRT-KRWDZBQOSA-N 1 0 298.430 4.499 50 0 CIAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000021720258 171320726 /nfs/dbraw/zinc/32/07/26/171320726.db2.gz ODRFAMHITLCGST-OAHLLOKOSA-N 1 0 290.794 4.282 50 0 CIAARO CC(C)(C)[C@H](CC[NH2+][C@H]1CCOC(C)(C)C1)c1ccco1 ZINC000032092941 171696052 /nfs/dbraw/zinc/69/60/52/171696052.db2.gz TWMBUKLLCOVEES-LSDHHAIUSA-N 1 0 293.451 4.347 50 0 CIAARO Oc1ccc(C[NH2+]C2c3ccccc3-c3ccccc32)cc1 ZINC000032735880 171746027 /nfs/dbraw/zinc/74/60/27/171746027.db2.gz JQUVKUIJEPDKTE-UHFFFAOYSA-N 1 0 287.362 4.252 50 0 CIAARO CC(C)n1c2ccccc2nc1C[NH+](C(C)C)C(C)C ZINC000035167710 172026736 /nfs/dbraw/zinc/02/67/36/172026736.db2.gz KGLZSGSRXFBRCU-UHFFFAOYSA-N 1 0 273.424 4.236 50 0 CIAARO CC[NH2+]Cc1cc(F)ccc1Oc1ccc(Cl)cc1 ZINC000037237669 173055488 /nfs/dbraw/zinc/05/54/88/173055488.db2.gz JFULNHFAXTUTFZ-UHFFFAOYSA-N 1 0 279.742 4.381 50 0 CIAARO COc1ccc2cc(C[NH2+]CC3CCCC3)ccc2c1 ZINC000037252169 173063490 /nfs/dbraw/zinc/06/34/90/173063490.db2.gz WZBXGRNXTXIZED-UHFFFAOYSA-N 1 0 269.388 4.128 50 0 CIAARO C[C@H]([NH2+]CC[C@H]1CCCO1)c1ccc2ccccc2c1 ZINC000038095458 174108776 /nfs/dbraw/zinc/10/87/76/174108776.db2.gz ZLFKVPNSTQOQNM-KBXCAEBGSA-N 1 0 269.388 4.060 50 0 CIAARO COc1ccccc1C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000040007505 174182539 /nfs/dbraw/zinc/18/25/39/174182539.db2.gz VTRSEOZZZSRURO-ZDUSSCGKSA-N 1 0 273.351 4.027 50 0 CIAARO CC(C)Oc1cccc(C[NH2+]CCC2=CCCCC2)c1 ZINC000040640046 174364008 /nfs/dbraw/zinc/36/40/08/174364008.db2.gz GLRBDGWOHIHTSW-UHFFFAOYSA-N 1 0 273.420 4.454 50 0 CIAARO CC[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2C)cc1 ZINC000040722693 174385205 /nfs/dbraw/zinc/38/52/05/174385205.db2.gz UCKSFFKGOKBOGU-INIZCTEOSA-N 1 0 283.415 4.462 50 0 CIAARO CCCC[NH2+]Cc1cc(Cl)cc(OC)c1OCCC ZINC000040722173 174385680 /nfs/dbraw/zinc/38/56/80/174385680.db2.gz SOMPWOWHCQUWET-UHFFFAOYSA-N 1 0 285.815 4.027 50 0 CIAARO COc1cc(Cl)cc(C[NH2+]C(C)(C)C)c1OC(C)C ZINC000040728261 174387908 /nfs/dbraw/zinc/38/79/08/174387908.db2.gz BSUBOEWNWKPCRF-UHFFFAOYSA-N 1 0 285.815 4.024 50 0 CIAARO CCOc1cc(C[NH2+]CC(C)C)cc(Cl)c1OC(C)C ZINC000040729224 174388242 /nfs/dbraw/zinc/38/82/42/174388242.db2.gz RLQUGUNYVJWRTJ-UHFFFAOYSA-N 1 0 299.842 4.272 50 0 CIAARO COc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OC(C)C ZINC000040729343 174388296 /nfs/dbraw/zinc/38/82/96/174388296.db2.gz XHGZXKNLDCTUTQ-UHFFFAOYSA-N 1 0 285.815 4.024 50 0 CIAARO Cc1cccc(COc2cccc(C[NH2+]C(C)(C)C)c2)c1 ZINC000040738063 174390268 /nfs/dbraw/zinc/39/02/68/174390268.db2.gz XBGOXDRKDYRKOT-UHFFFAOYSA-N 1 0 283.415 4.462 50 0 CIAARO CC(C)(C)c1ccc(OCC2CC[NH2+]CC2)c(Cl)c1 ZINC000042775368 174873789 /nfs/dbraw/zinc/87/37/89/174873789.db2.gz KPWLYJAVWGHYNL-UHFFFAOYSA-N 1 0 281.827 4.016 50 0 CIAARO CC[NH2+]Cc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000057353135 175593844 /nfs/dbraw/zinc/59/38/44/175593844.db2.gz IQANDWAXOLASKN-UHFFFAOYSA-N 1 0 278.399 4.108 50 0 CIAARO CC(C)[NH2+]Cc1cn(Cc2ccccc2F)c2ccccc12 ZINC000057353126 175594119 /nfs/dbraw/zinc/59/41/19/175594119.db2.gz SUUUFCJQWADQSX-UHFFFAOYSA-N 1 0 296.389 4.327 50 0 CIAARO CCCCc1ccc(C[NH+]2CC(c3ccccn3)C2)s1 ZINC000072148042 176325488 /nfs/dbraw/zinc/32/54/88/176325488.db2.gz SEMBCCGTXCGQHT-UHFFFAOYSA-N 1 0 286.444 4.085 50 0 CIAARO Cc1c2cc(C)ccc2oc1C[NH+]1CC(c2cccnc2)C1 ZINC000072169668 176332102 /nfs/dbraw/zinc/33/21/02/176332102.db2.gz OFDLXMFGDMWCLQ-UHFFFAOYSA-N 1 0 292.382 4.044 50 0 CIAARO C[NH2+]CC[C@@H](c1cccs1)c1c(O)ccc2ccccc21 ZINC000077302570 177250733 /nfs/dbraw/zinc/25/07/33/177250733.db2.gz VSBHSOHJAQPAOS-HNNXBMFYSA-N 1 0 297.423 4.348 50 0 in-vitro CIAARO CCOc1cccc(C[NH2+][C@H]2CCCc3ccccc32)c1 ZINC000037678370 260115554 /nfs/dbraw/zinc/11/55/54/260115554.db2.gz BBEJVYFRUOFJTK-IBGZPJMESA-N 1 0 281.399 4.253 50 0 CIAARO c1csc(C[NH2+]Cc2cccc3ccccc32)c1 ZINC000004897258 326812710 /nfs/dbraw/zinc/81/27/10/326812710.db2.gz KQTVPLXTFHVKDA-UHFFFAOYSA-N 1 0 253.370 4.191 50 0 CIAARO CC(C)(C)[NH2+]Cc1ccc(OCc2cccs2)cc1 ZINC000004897442 326812781 /nfs/dbraw/zinc/81/27/81/326812781.db2.gz NCXZLIYCENSNSU-UHFFFAOYSA-N 1 0 275.417 4.215 50 0 CIAARO CC[C@@H]([NH2+][C@H](C)c1sccc1C)c1c(C)nn(C)c1C ZINC000133744128 329527934 /nfs/dbraw/zinc/52/79/34/329527934.db2.gz LXLKCCKKMQIWDC-TZMCWYRMSA-N 1 0 291.464 4.209 50 0 CIAARO CC[C@H]([NH2+][C@@H](C)c1sccc1C)c1c(C)nn(C)c1C ZINC000133743487 329527942 /nfs/dbraw/zinc/52/79/42/329527942.db2.gz LXLKCCKKMQIWDC-JSGCOSHPSA-N 1 0 291.464 4.209 50 0 CIAARO COc1ccc(CC[NH2+]Cc2ccc3ccccc3c2)cc1 ZINC000002901523 333058517 /nfs/dbraw/zinc/05/85/17/333058517.db2.gz ZIZLPYBJSVSDSW-UHFFFAOYSA-N 1 0 291.394 4.181 50 0 CIAARO CC[C@@H](C)c1ccc(OCC[C@H]2CCCC[NH2+]2)cc1 ZINC000042773237 567891679 /nfs/dbraw/zinc/89/16/79/567891679.db2.gz BGXGQXGRHZPQFV-GDBMZVCRSA-N 1 0 261.409 4.111 50 0 CIAARO FC(F)(F)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000174185636 570283005 /nfs/dbraw/zinc/28/30/05/570283005.db2.gz RGPJENZYRVYJBA-UHFFFAOYSA-N 1 0 277.717 4.114 50 0 CIAARO COc1cccc([C@H]2CCCC[N@@H+]2Cc2ccncc2C)c1 ZINC000240971693 566826308 /nfs/dbraw/zinc/82/63/08/566826308.db2.gz UBFQKPYAZDNJSR-LJQANCHMSA-N 1 0 296.414 4.126 50 0 CIAARO Cc1nc([C@@H](C)[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)co1 ZINC000241965552 566826515 /nfs/dbraw/zinc/82/65/15/566826515.db2.gz UTTXTZRURCJWTN-DFTSMRTNSA-N 1 0 288.435 4.239 50 0 CIAARO COc1ccccc1Nc1cc(C)[nH+]c2c(C)ccc(N)c12 ZINC000000980141 566835248 /nfs/dbraw/zinc/83/52/48/566835248.db2.gz FVPHTGNPVIRYSB-UHFFFAOYSA-N 1 0 293.370 4.186 50 0 CIAARO C1=C2[C@H](CCC1)[C@H](C[NH+]1CCCCC1)O[C@H]1CCCC[C@@H]21 ZINC000004027243 566855037 /nfs/dbraw/zinc/85/50/37/566855037.db2.gz ZLGSKKXUVINAIN-VJANTYMQSA-N 1 0 289.463 4.156 50 0 CIAARO c1ccc2c(c1)[nH]c1c2CCC[N@@H+]2C[C@H]3CC=CC[C@H]3[C@H]12 ZINC000004026710 566855345 /nfs/dbraw/zinc/85/53/45/566855345.db2.gz XGOIUNFXMAIFSF-PJIJBLCYSA-N 1 0 278.399 4.053 50 0 CIAARO C[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2[C@H]3CC=CC[C@@H]3C[N@@H+]21 ZINC000004026704 566856180 /nfs/dbraw/zinc/85/61/80/566856180.db2.gz PVBRJYQZDMXBMF-PXWIGAEESA-N 1 0 278.399 4.052 50 0 CIAARO C[C@@H](C[N@H+]1Cc2ccccc2O[C@H](C)C1)c1ccccc1 ZINC000104398075 566906642 /nfs/dbraw/zinc/90/66/42/566906642.db2.gz OCQBWRNBWRFFLA-JKSUJKDBSA-N 1 0 281.399 4.073 50 0 CIAARO COc1ccc2c(c1)[C@H](c1ccccc1)[C@H](C(C)(C)C)[NH2+]C2 ZINC000002167255 566913996 /nfs/dbraw/zinc/91/39/96/566913996.db2.gz IJWDGSMTEMKAKE-RBUKOAKNSA-N 1 0 295.426 4.345 50 0 CIAARO CC[C@H](C)[C@@H](C(=O)OCC[NH+](CC)CC)C1CCCCC1 ZINC000071782919 566916590 /nfs/dbraw/zinc/91/65/90/566916590.db2.gz PARCBWBZNBESCI-DOTOQJQBSA-N 1 0 297.483 4.114 50 0 CIAARO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(F)c2)cc1 ZINC000015837375 566921896 /nfs/dbraw/zinc/92/18/96/566921896.db2.gz NNYQLBXZDFROKY-KRWDZBQOSA-N 1 0 273.326 4.302 50 0 CIAARO CC[NH+](CC)CCCC(=O)C1(c2ccccc2)CCCC1 ZINC000075272019 566940108 /nfs/dbraw/zinc/94/01/08/566940108.db2.gz SGJAPYJRZZDDBB-UHFFFAOYSA-N 1 0 287.447 4.190 50 0 CIAARO CS[C@H]1CCCC[N@H+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000241440001 566967712 /nfs/dbraw/zinc/96/77/12/566967712.db2.gz NOHCVXTXNWKVKB-CVEARBPZSA-N 1 0 297.508 4.086 50 0 CIAARO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCO[C@H]2c2ccccc2)o1 ZINC000241784876 566968119 /nfs/dbraw/zinc/96/81/19/566968119.db2.gz RXLNNAORZVYGRN-LESCRADOSA-N 1 0 285.387 4.016 50 0 CIAARO Nc1cc[nH+]c2c1cccc2-c1cc(F)cc(Cl)c1 ZINC000426512308 566988214 /nfs/dbraw/zinc/98/82/14/566988214.db2.gz QYOBRDBJFRCVOS-UHFFFAOYSA-N 1 0 272.710 4.107 50 0 CIAARO CCn1cc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)c(C)n1 ZINC000426597225 566988522 /nfs/dbraw/zinc/98/85/22/566988522.db2.gz MEOBEEPGXJCSJG-OAHLLOKOSA-N 1 0 283.419 4.035 50 0 CIAARO CC(=O)c1ccc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)nc1 ZINC000426677994 566990749 /nfs/dbraw/zinc/99/07/49/566990749.db2.gz LBKKOOYONXGGAF-AWEZNQCLSA-N 1 0 294.398 4.108 50 0 CIAARO CCC[N@@H+](Cc1cc(C)ccc1C)C[C@H](O)c1ccccc1 ZINC000036097417 566994294 /nfs/dbraw/zinc/99/42/94/566994294.db2.gz WLAPPXCTYVRYOQ-FQEVSTJZSA-N 1 0 297.442 4.249 50 0 CIAARO Cc1ccc(C[N@@H+](C[C@H](O)c2ccccc2)C(C)C)s1 ZINC000036101189 566994852 /nfs/dbraw/zinc/99/48/52/566994852.db2.gz AFUSJWIZDYDKKX-KRWDZBQOSA-N 1 0 289.444 4.001 50 0 CIAARO C[C@@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1ccccc1Cl ZINC000170604729 567013529 /nfs/dbraw/zinc/01/35/29/567013529.db2.gz PLZAKIAGEDLMDV-ZIAGYGMSSA-N 1 0 293.838 4.482 50 0 CIAARO CS[C@@H]1CCCC[N@H+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000170604683 567014340 /nfs/dbraw/zinc/01/43/40/567014340.db2.gz NOHCVXTXNWKVKB-JKSUJKDBSA-N 1 0 297.508 4.086 50 0 CIAARO CC(C)C[NH+]1CCC(N[C@@H](C)c2ccccc2Cl)CC1 ZINC000089840166 567027315 /nfs/dbraw/zinc/02/73/15/567027315.db2.gz DAGVPGQCKLGEOQ-AWEZNQCLSA-N 1 0 294.870 4.111 50 0 CIAARO Cc1cc([C@H]([NH2+][C@@H](C)c2ccccn2)C2CC2)ccc1F ZINC000271464511 567032105 /nfs/dbraw/zinc/03/21/05/567032105.db2.gz HTFGZOGLNNGATC-SCLBCKFNSA-N 1 0 284.378 4.331 50 0 CIAARO CCc1cc(OCCC[NH2+][C@H](C)CC)ccc1Cl ZINC000002823550 567036320 /nfs/dbraw/zinc/03/63/20/567036320.db2.gz YDEPXSQNXXLNKS-GFCCVEGCSA-N 1 0 269.816 4.059 50 0 CIAARO CC[C@@H](C)[NH2+]CCCOc1ccc([C@@H](C)CC)cc1 ZINC000002823225 567036935 /nfs/dbraw/zinc/03/69/35/567036935.db2.gz LJACMFNQOUMSSE-LSDHHAIUSA-N 1 0 263.425 4.357 50 0 CIAARO CC(C)(C)c1ccc(OCC[NH2+]Cc2ccccc2)cc1 ZINC000002822360 567037170 /nfs/dbraw/zinc/03/71/70/567037170.db2.gz HWKCJOOJJUUWFA-UHFFFAOYSA-N 1 0 283.415 4.153 50 0 CIAARO Cc1cc(C)c(C)c(OCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000002822196 567037231 /nfs/dbraw/zinc/03/72/31/567037231.db2.gz DVZQUIYMGRAYFF-IYBDPMFKSA-N 1 0 289.463 4.359 50 0 CIAARO CC1=CC[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]3[C@@H]2C1 ZINC000002097379 567042706 /nfs/dbraw/zinc/04/27/06/567042706.db2.gz KQDDHWGHKMLCGS-VVFCZOMOSA-N 1 0 278.399 4.053 50 0 CIAARO C[C@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3CN21 ZINC000002090304 567042746 /nfs/dbraw/zinc/04/27/46/567042746.db2.gz NYVOMCNJIDSPNP-HXPMCKFVSA-N 1 0 274.367 4.018 50 0 CIAARO CCOc1ccccc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000004240017 567044119 /nfs/dbraw/zinc/04/41/19/567044119.db2.gz RPCPXHSPTFPQQH-UHFFFAOYSA-N 1 0 285.431 4.144 50 0 CIAARO CC1=C(c2ccccc2)[N+](=O)[C@](C)(c2ccc(C)cc2)N1O ZINC000033396818 567088374 /nfs/dbraw/zinc/08/83/74/567088374.db2.gz MVBMBOWQVPXJCO-GOSISDBHSA-N 1 0 295.362 4.040 50 0 CIAARO C[C@@H](C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)n1cnc2ccccc21 ZINC000019866936 567122958 /nfs/dbraw/zinc/12/29/58/567122958.db2.gz OIZIQZLMZPPCCL-YESZJQIVSA-N 1 0 297.446 4.109 50 0 CIAARO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@@H]2c2ccccc2)o1 ZINC000095423205 567132024 /nfs/dbraw/zinc/13/20/24/567132024.db2.gz RXLNNAORZVYGRN-QILLFSRXSA-N 1 0 285.387 4.016 50 0 CIAARO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)o1 ZINC000095423207 567132274 /nfs/dbraw/zinc/13/22/74/567132274.db2.gz RXLNNAORZVYGRN-YXJHDRRASA-N 1 0 285.387 4.016 50 0 CIAARO CC(C)=CC[NH2+][C@H](C)c1ccccc1Br ZINC000095464159 567136713 /nfs/dbraw/zinc/13/67/13/567136713.db2.gz CLXPFSCABKTNPP-LLVKDONJSA-N 1 0 268.198 4.066 50 0 CIAARO CC[NH+](CC)C[C@@H](Oc1ccccc1C)c1ccccc1 ZINC000096026699 567138258 /nfs/dbraw/zinc/13/82/58/567138258.db2.gz SCMOBWDXOWNFHH-LJQANCHMSA-N 1 0 283.415 4.457 50 0 CIAARO CC[NH+](CC)C[C@H](Oc1ccccc1)c1ccccc1 ZINC000096026674 567138518 /nfs/dbraw/zinc/13/85/18/567138518.db2.gz ZVHRJHWXVGKSLK-SFHVURJKSA-N 1 0 269.388 4.149 50 0 CIAARO CC(C)c1ccc(NC(=O)[C@@H](c2ccccc2)N(C)C)cc1 ZINC000058012555 567168502 /nfs/dbraw/zinc/16/85/02/567168502.db2.gz BGNZIPGBDZNJCT-GOSISDBHSA-N 1 0 296.414 4.051 50 0 CIAARO Cc1ccc(OCCCCC[NH+]2CCC(C)CC2)cc1 ZINC000003633588 567180179 /nfs/dbraw/zinc/18/01/79/567180179.db2.gz OANOUTXSNBWFMA-UHFFFAOYSA-N 1 0 275.436 4.276 50 0 CIAARO CC[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1 ZINC000071775199 567207212 /nfs/dbraw/zinc/20/72/12/567207212.db2.gz VUQTWSDYRMHCDR-HBFSDRIKSA-N 1 0 293.410 4.400 50 0 CIAARO CC(C)[NH+](Cc1ccc(Br)cc1)C(C)C ZINC000000056698 567817103 /nfs/dbraw/zinc/81/71/03/567817103.db2.gz SNGBVBNOXIPZGP-UHFFFAOYSA-N 1 0 270.214 4.068 50 0 CIAARO Clc1ccc(N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000000216816 567822440 /nfs/dbraw/zinc/82/24/40/567822440.db2.gz LPDINDIIFUEZBT-UHFFFAOYSA-N 1 0 292.854 4.042 50 0 CIAARO C[NH2+][C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000000347663 567826255 /nfs/dbraw/zinc/82/62/55/567826255.db2.gz WCSUVFJJGYUDFD-ZDUSSCGKSA-N 1 0 275.804 4.308 50 0 CIAARO O[C@H](c1ccccc1)[C@@H]([NH2+]C1CCCCC1)c1ccccc1 ZINC000001669469 567840639 /nfs/dbraw/zinc/84/06/39/567840639.db2.gz AUJFQSIAONFRDP-VQTJNVASSA-N 1 0 295.426 4.384 50 0 CIAARO CSc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000002482195 567845733 /nfs/dbraw/zinc/84/57/33/567845733.db2.gz SVDSFWZJWCZRAY-UHFFFAOYSA-N 1 0 296.439 4.222 50 0 CIAARO O=C(c1ccc(F)cc1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000002515010 567846164 /nfs/dbraw/zinc/84/61/64/567846164.db2.gz VRPOQGSXTSVFLK-UHFFFAOYSA-N 1 0 297.373 4.043 50 0 CIAARO Clc1ccc(Cl)c(OCCC[NH+]2CCCCC2)c1 ZINC000002497469 567846248 /nfs/dbraw/zinc/84/62/48/567846248.db2.gz TWWLHNNJLZSYFN-UHFFFAOYSA-N 1 0 288.218 4.248 50 0 CIAARO O=C(c1cccc(C[NH+]2CCCC2)c1)C1CCCCC1 ZINC000002515096 567846869 /nfs/dbraw/zinc/84/68/69/567846869.db2.gz CTDMDIVVTSMXHS-UHFFFAOYSA-N 1 0 271.404 4.045 50 0 CIAARO C[NH2+][C@H](C)c1ccccc1Oc1cccc(Cl)c1 ZINC000034666056 567848744 /nfs/dbraw/zinc/84/87/44/567848744.db2.gz BTBHKIUUQSSFGT-LLVKDONJSA-N 1 0 261.752 4.413 50 0 CIAARO CCCC[NH2+]CCCCCOc1cc(C)ccc1C ZINC000002899297 567850345 /nfs/dbraw/zinc/85/03/45/567850345.db2.gz MSCNWSRGUOSFCJ-UHFFFAOYSA-N 1 0 263.425 4.242 50 0 CIAARO CCCC[NH2+]CCCOc1cc(C)c(Cl)c(C)c1 ZINC000002903595 567850529 /nfs/dbraw/zinc/85/05/29/567850529.db2.gz JUWCBVFBDIBPOL-UHFFFAOYSA-N 1 0 269.816 4.115 50 0 CIAARO CCCC[NH2+]CCCOc1ccccc1[C@@H](C)CC ZINC000003003502 567851296 /nfs/dbraw/zinc/85/12/96/567851296.db2.gz LYSMWAOSZMOOLU-HNNXBMFYSA-N 1 0 263.425 4.359 50 0 CIAARO CC[C@@H](C)c1ccccc1OCCC[NH+]1CCCC1 ZINC000003461631 567852695 /nfs/dbraw/zinc/85/26/95/567852695.db2.gz MIIYKQMYRWWELQ-OAHLLOKOSA-N 1 0 261.409 4.065 50 0 CIAARO Cc1cc(C(C)(C)C)ccc1OCCC[NH+]1CCCC1 ZINC000003460777 567852860 /nfs/dbraw/zinc/85/28/60/567852860.db2.gz UCZFXCGWMYFFDO-UHFFFAOYSA-N 1 0 275.436 4.157 50 0 CIAARO CC[C@H](C)c1ccccc1OCCCC[NH+]1CCCC1 ZINC000003460718 567852909 /nfs/dbraw/zinc/85/29/09/567852909.db2.gz LOLQYDGGAQMCGH-INIZCTEOSA-N 1 0 275.436 4.455 50 0 CIAARO O=C(Cc1ccccc1)C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000003845171 567853723 /nfs/dbraw/zinc/85/37/23/567853723.db2.gz MBHWZWUFOCJSHN-GOSISDBHSA-N 1 0 297.398 4.009 50 0 CIAARO c1ccc(CC[N@@H+]2CCC3=C(CCc4ccccc43)C2)cc1 ZINC000004040585 567854843 /nfs/dbraw/zinc/85/48/43/567854843.db2.gz CTGJCBHUIMTVHX-UHFFFAOYSA-N 1 0 289.422 4.335 50 0 CIAARO CCNC(=[NH2+])SCc1c(C)c(C)c(C)c(C)c1C ZINC000004322064 567856666 /nfs/dbraw/zinc/85/66/66/567856666.db2.gz QIIGOOSCJMJJFA-UHFFFAOYSA-N 1 0 264.438 4.006 50 0 CIAARO Cc1c(C)c(C)c(C[NH+]2CCC(C)CC2)c(C)c1C ZINC000004322045 567856709 /nfs/dbraw/zinc/85/67/09/567856709.db2.gz VIEBCCVLKKHXIG-UHFFFAOYSA-N 1 0 259.437 4.461 50 0 CIAARO CCc1ccc(C[NH2+]Cc2ccccc2Cl)cc1 ZINC000004670825 567858906 /nfs/dbraw/zinc/85/89/06/567858906.db2.gz GOGIUNJFIWGCRB-UHFFFAOYSA-N 1 0 259.780 4.192 50 0 CIAARO Fc1ccc(C[NH2+]Cc2cccc(Cl)c2Cl)cc1 ZINC000004657672 567858932 /nfs/dbraw/zinc/85/89/32/567858932.db2.gz SUHROPKLUZTVNA-UHFFFAOYSA-N 1 0 284.161 4.422 50 0 CIAARO c1ccc(C(c2ccccc2)(c2ccccc2)N2CC2)cc1 ZINC000004829354 567859237 /nfs/dbraw/zinc/85/92/37/567859237.db2.gz VGVSQCOSLXVVHM-UHFFFAOYSA-N 1 0 285.390 4.294 50 0 CIAARO c1cn(CC[C@H]([NH2+]C2CCCCCC2)c2ccccc2)cn1 ZINC000032547846 567860871 /nfs/dbraw/zinc/86/08/71/567860871.db2.gz ZGFQVKVVXMTPSX-IBGZPJMESA-N 1 0 297.446 4.327 50 0 CIAARO Cc1ccc(-c2ccc(C[NH2+]C(C)C)o2)cc1Cl ZINC000010436403 567861673 /nfs/dbraw/zinc/86/16/73/567861673.db2.gz GSFVEJLCDZHULW-UHFFFAOYSA-N 1 0 263.768 4.406 50 0 CIAARO C[C@H](CCCC(C)(C)O)CC[NH2+]C1(c2ccccc2)CC1 ZINC000032586947 567863585 /nfs/dbraw/zinc/86/35/85/567863585.db2.gz QZPDYFZYXBWTGI-MRXNPFEDSA-N 1 0 289.463 4.233 50 0 CIAARO Cc1cccc(-n2ncc3c2CCC[C@H]3[NH2+]C2CCC2)c1C ZINC000012590122 567863589 /nfs/dbraw/zinc/86/35/89/567863589.db2.gz HEINPPJOFOWEIT-QGZVFWFLSA-N 1 0 295.430 4.009 50 0 CIAARO Cc1c(C[C@@H](C)[NH3+])c2cc(C)ccc2n1Cc1ccccc1 ZINC000013683310 567866990 /nfs/dbraw/zinc/86/69/90/567866990.db2.gz AUURPYIKRJPSIU-OAHLLOKOSA-N 1 0 292.426 4.196 50 0 CIAARO CCOc1c(Cl)cc(C[NH2+]C(C)(C)CC)cc1OC ZINC000013724865 567867377 /nfs/dbraw/zinc/86/73/77/567867377.db2.gz USDWRNOJSZCQRZ-UHFFFAOYSA-N 1 0 285.815 4.026 50 0 CIAARO C[C@H](CCc1ccccc1)[NH2+]C/C=C/c1ccccc1 ZINC000013717914 567867460 /nfs/dbraw/zinc/86/74/60/567867460.db2.gz RPTQJPGQULLDFG-MSGBMKDASA-N 1 0 265.400 4.311 50 0 CIAARO Fc1cccc(Cl)c1C[NH2+]C1CCCCCC1 ZINC000016383696 567872733 /nfs/dbraw/zinc/87/27/33/567872733.db2.gz VQXHXEMTYCOMMU-UHFFFAOYSA-N 1 0 255.764 4.292 50 0 CIAARO CC(=O)c1c(C)cc(NC(C)(C)C)[nH+]c1NC(C)(C)C ZINC000018996110 567877076 /nfs/dbraw/zinc/87/70/76/567877076.db2.gz DTTLJUGHKIRCHU-UHFFFAOYSA-N 1 0 277.412 4.013 50 0 CIAARO [NH3+]C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000019804074 567879341 /nfs/dbraw/zinc/87/93/41/567879341.db2.gz XJEIUGUQDIKUSM-UHFFFAOYSA-N 1 0 252.144 4.042 50 0 CIAARO C[C@@H]([NH2+]C1CCCC1)c1ccccc1Br ZINC000019883469 567879669 /nfs/dbraw/zinc/87/96/69/567879669.db2.gz OMILHKKGDLKHFL-SNVBAGLBSA-N 1 0 268.198 4.042 50 0 CIAARO CCC(CC)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000019883827 567879790 /nfs/dbraw/zinc/87/97/90/567879790.db2.gz HGBSBUUHSZJEFJ-SNVBAGLBSA-N 1 0 270.214 4.288 50 0 CIAARO FC(F)(F)c1ccccc1C[NH2+]CCc1ccccc1 ZINC000019919725 567880124 /nfs/dbraw/zinc/88/01/24/567880124.db2.gz ICRQFIHDFSVFHS-UHFFFAOYSA-N 1 0 279.305 4.038 50 0 CIAARO Cc1ccc([C@@H](C)CC[NH2+][C@@H](C)CCCC(C)(C)O)o1 ZINC000032590221 567885793 /nfs/dbraw/zinc/88/57/93/567885793.db2.gz SUDNDEWZMLHLED-KBPBESRZSA-N 1 0 281.440 4.001 50 0 CIAARO Cc1ccc([C@H](C)CC[NH2+][C@@H](C)CCCC(C)(C)O)o1 ZINC000032590218 567886051 /nfs/dbraw/zinc/88/60/51/567886051.db2.gz SUDNDEWZMLHLED-KGLIPLIRSA-N 1 0 281.440 4.001 50 0 CIAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OC(C)C ZINC000032184979 567886129 /nfs/dbraw/zinc/88/61/29/567886129.db2.gz MMMWZJAOBFAHSN-HNNXBMFYSA-N 1 0 299.414 4.333 50 0 CIAARO COc1cc(C)ccc1OCCCC[NH+]1CCCCCC1 ZINC000002839727 567887488 /nfs/dbraw/zinc/88/74/88/567887488.db2.gz UFKVSVTZRNSFFI-UHFFFAOYSA-N 1 0 291.435 4.039 50 0 CIAARO CCC[N@@H+](Cc1c(OC)ccc2ccccc21)CC1CC1 ZINC000023281147 567887980 /nfs/dbraw/zinc/88/79/80/567887980.db2.gz AGALZXHNNLRYLO-UHFFFAOYSA-N 1 0 283.415 4.470 50 0 CIAARO CCCC[NH2+]CCCOc1cc(Cl)ccc1Cl ZINC000002933500 567888386 /nfs/dbraw/zinc/88/83/86/567888386.db2.gz AUQXFPIHBNENAA-UHFFFAOYSA-N 1 0 276.207 4.152 50 0 CIAARO COc1cccc(Cl)c1-c1cccc(C[NH2+]C2CC2)c1 ZINC000067804992 567890063 /nfs/dbraw/zinc/89/00/63/567890063.db2.gz FBIBKJZXVPGVJC-UHFFFAOYSA-N 1 0 287.790 4.268 50 0 CIAARO CCCCC[NH2+][C@H](C)c1ccc(Br)s1 ZINC000038001628 567890372 /nfs/dbraw/zinc/89/03/72/567890372.db2.gz RKYAEMDOWBXEQZ-SECBINFHSA-N 1 0 276.243 4.351 50 0 CIAARO CC[C@@H](C)[NH2+]Cc1ccc(OC(C)C)c(Cl)c1 ZINC000040731091 567890972 /nfs/dbraw/zinc/89/09/72/567890972.db2.gz AAZIRGSPSNPFQE-LLVKDONJSA-N 1 0 255.789 4.015 50 0 CIAARO CC(C)OCCC[NH2+]Cc1ccc(OC(C)C)c(Cl)c1 ZINC000040731175 567890989 /nfs/dbraw/zinc/89/09/89/567890989.db2.gz ZBQHBIJQELXHOJ-UHFFFAOYSA-N 1 0 299.842 4.032 50 0 CIAARO CC(C)(C)c1ccc(OCCC2CC[NH2+]CC2)c(Cl)c1 ZINC000042771057 567891537 /nfs/dbraw/zinc/89/15/37/567891537.db2.gz CSHXNQZXHCCEFO-UHFFFAOYSA-N 1 0 295.854 4.406 50 0 CIAARO CC(C)(C)c1ccc(OC[C@H]2CC[NH2+]C2)c(C(C)(C)C)c1 ZINC000042770488 567891670 /nfs/dbraw/zinc/89/16/70/567891670.db2.gz SXMRYZPPCXQBEU-AWEZNQCLSA-N 1 0 289.463 4.270 50 0 CIAARO CC[C@@H](C)c1cc(Cl)ccc1OC[C@@H]1CCC[NH2+]C1 ZINC000042775408 567892053 /nfs/dbraw/zinc/89/20/53/567892053.db2.gz DHJYVAMVKRJPMS-CHWSQXEVSA-N 1 0 281.827 4.232 50 0 CIAARO CC[C@H]([NH2+]Cc1ccc(NC(=O)OC)cc1)c1ccccc1 ZINC000071902501 567893959 /nfs/dbraw/zinc/89/39/59/567893959.db2.gz IRVKBHHFEQPZHE-KRWDZBQOSA-N 1 0 298.386 4.106 50 0 CIAARO Cc1cc(C[N@H+](Cc2sccc2C)C2CCCC2)[nH]n1 ZINC000055226843 567894191 /nfs/dbraw/zinc/89/41/91/567894191.db2.gz BJTRLTGMOIAZCZ-UHFFFAOYSA-N 1 0 289.448 4.033 50 0 CIAARO Clc1ccc(C[NH2+]Cc2cccs2)cc1Cl ZINC000057274467 567894955 /nfs/dbraw/zinc/89/49/55/567894955.db2.gz VJMDHATUJXHJLA-UHFFFAOYSA-N 1 0 272.200 4.345 50 0 CIAARO CCC[NH2+]Cc1cn(Cc2cccc(C)c2)c2ccccc12 ZINC000057353154 567895112 /nfs/dbraw/zinc/89/51/12/567895112.db2.gz SZCUGIIOXWGCKI-UHFFFAOYSA-N 1 0 292.426 4.498 50 0 CIAARO CCc1cnc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)nc1 ZINC000065383101 567898402 /nfs/dbraw/zinc/89/84/02/567898402.db2.gz YWCAVWDCYCRULA-OAHLLOKOSA-N 1 0 295.430 4.253 50 0 CIAARO Cc1ccncc1-c1ccc([C@@H](C)[NH+]2CCCC2)cc1 ZINC000065395855 567899117 /nfs/dbraw/zinc/89/91/17/567899117.db2.gz XABRZXRTJPTXIN-OAHLLOKOSA-N 1 0 266.388 4.214 50 0 CIAARO C[C@@H](c1ccc(-c2ncccc2O)cc1)[NH+]1CCCCC1 ZINC000065408149 567899314 /nfs/dbraw/zinc/89/93/14/567899314.db2.gz DHVYAGKAXOTIJF-AWEZNQCLSA-N 1 0 282.387 4.001 50 0 CIAARO CC(=O)c1sccc1-c1cccc([C@H](C)[NH+](C)C)c1 ZINC000065509295 567899618 /nfs/dbraw/zinc/89/96/18/567899618.db2.gz OFQVWXHQTFHNPH-NSHDSACASA-N 1 0 273.401 4.240 50 0 CIAARO Cc1ccc(-c2c[nH+]c(NCc3cccc(C)c3)n2C)cc1 ZINC000004678435 567901487 /nfs/dbraw/zinc/90/14/87/567901487.db2.gz IZTNCYDQTRIQPW-UHFFFAOYSA-N 1 0 291.398 4.316 50 0 CIAARO CC(C)Oc1cccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1 ZINC000040731238 567907749 /nfs/dbraw/zinc/90/77/49/567907749.db2.gz SVQOEUBOOVQNFL-UHFFFAOYSA-N 1 0 299.458 4.388 50 0 CIAARO Clc1cccc(Cl)c1SCCC1CC[NH2+]CC1 ZINC000095908647 567909855 /nfs/dbraw/zinc/90/98/55/567909855.db2.gz YRUPQAUDMRJJEY-UHFFFAOYSA-N 1 0 290.259 4.475 50 0 CIAARO Fc1ccc(-c2ccc(C[NH+]3CCCC3)cn2)c(Cl)c1 ZINC000097823120 567911394 /nfs/dbraw/zinc/91/13/94/567911394.db2.gz JZXWXSFSAQLFAK-UHFFFAOYSA-N 1 0 290.769 4.137 50 0 CIAARO Cc1ncnc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)c1C ZINC000097784887 567911442 /nfs/dbraw/zinc/91/14/42/567911442.db2.gz XWQVMDBBCVTKSN-INIZCTEOSA-N 1 0 295.430 4.307 50 0 CIAARO CC[C@H](C)c1ccc(-c2cc(C[NH2+]C(C)C)[nH]n2)cc1 ZINC000725264695 567923353 /nfs/dbraw/zinc/92/33/53/567923353.db2.gz JPRGZXZZXSWDCA-ZDUSSCGKSA-N 1 0 271.408 4.088 50 0 CIAARO COc1ccccc1Nc1cc(C)[nH+]c2ccccc12 ZINC000000120698 567923385 /nfs/dbraw/zinc/92/33/85/567923385.db2.gz YPSWMKNMIWFERE-UHFFFAOYSA-N 1 0 264.328 4.295 50 0 CIAARO c1ccc(CNc2c3c([nH+]c4ccccc42)CCC3)cc1 ZINC000000122788 567923525 /nfs/dbraw/zinc/92/35/25/567923525.db2.gz FSXVHPCDUBUHDH-UHFFFAOYSA-N 1 0 274.367 4.336 50 0 CIAARO CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000252004620 567930000 /nfs/dbraw/zinc/93/00/00/567930000.db2.gz ZLYLNQCODJGKTC-ARFHVFGLSA-N 1 0 258.409 4.067 50 0 CIAARO Cc1ccccc1[C@H](c1c(C)cccc1C)[NH+](C)C ZINC000005603234 567932810 /nfs/dbraw/zinc/93/28/10/567932810.db2.gz PXJKLKHEUDUMFZ-GOSISDBHSA-N 1 0 253.389 4.263 50 0 CIAARO Fc1cccc(C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000000294026 567935900 /nfs/dbraw/zinc/93/59/00/567935900.db2.gz FQGUZNOAMKHGFE-UHFFFAOYSA-N 1 0 283.390 4.280 50 0 CIAARO CC[NH+](CC)Cc1csc2ccc(Cl)cc12 ZINC000002127329 567937581 /nfs/dbraw/zinc/93/75/81/567937581.db2.gz MLYNHINPZHOPFX-UHFFFAOYSA-N 1 0 253.798 4.397 50 0 CIAARO CC(C)c1ccc(OCCCC[NH2+]C(C)(C)C)cc1 ZINC000002900212 567937895 /nfs/dbraw/zinc/93/78/95/567937895.db2.gz VSKOACLAIBXXBD-UHFFFAOYSA-N 1 0 263.425 4.357 50 0 CIAARO CC(C)[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000010436458 567939639 /nfs/dbraw/zinc/93/96/39/567939639.db2.gz RKZOKZCVNUXTFZ-UHFFFAOYSA-N 1 0 289.806 4.417 50 0 CIAARO CC(C)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000010436422 567939804 /nfs/dbraw/zinc/93/98/04/567939804.db2.gz JHNMJTMFBUTGGJ-UHFFFAOYSA-N 1 0 283.293 4.463 50 0 CIAARO COC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccccc2C)cc1 ZINC000159009438 567941932 /nfs/dbraw/zinc/94/19/32/567941932.db2.gz SCZPPELBEPUPOE-CQSZACIVSA-N 1 0 298.386 4.024 50 0 CIAARO CC(C)OCCC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000013721877 567942146 /nfs/dbraw/zinc/94/21/46/567942146.db2.gz GYWQHMNRVXXHOK-UHFFFAOYSA-N 1 0 283.415 4.258 50 0 CIAARO Clc1cccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1 ZINC000016398828 567944384 /nfs/dbraw/zinc/94/43/84/567944384.db2.gz MVKUZHSUHKKCGR-UHFFFAOYSA-N 1 0 275.823 4.254 50 0 CIAARO C[NH2+]Cc1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000019778439 567944666 /nfs/dbraw/zinc/94/46/66/567944666.db2.gz WKZLIYOFXCVIGF-UHFFFAOYSA-N 1 0 291.394 4.447 50 0 CIAARO C[NH2+]Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000019777221 567944675 /nfs/dbraw/zinc/94/46/75/567944675.db2.gz QTLCTCLNLXBIBC-UHFFFAOYSA-N 1 0 296.197 4.292 50 0 CIAARO c1c2ccccc2[nH]c1C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000215973176 567947370 /nfs/dbraw/zinc/94/73/70/567947370.db2.gz COEOGSCUYBJPPS-IBGZPJMESA-N 1 0 291.398 4.290 50 0 CIAARO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2ccccc2)cc1 ZINC000000819509 567948376 /nfs/dbraw/zinc/94/83/76/567948376.db2.gz IONDIFPOHMGVIT-UHFFFAOYSA-N 1 0 291.398 4.017 50 0 CIAARO Clc1cccc(COc2cccc(C[NH2+]C3CC3)c2)c1 ZINC000032140911 567955854 /nfs/dbraw/zinc/95/58/54/567955854.db2.gz XEUNAFJBJGVXTK-UHFFFAOYSA-N 1 0 287.790 4.171 50 0 CIAARO Clc1cccc(COc2ccc(C[NH2+]C3CC3)cc2)c1 ZINC000032140913 567955924 /nfs/dbraw/zinc/95/59/24/567955924.db2.gz ZVESUSCPILJHDF-UHFFFAOYSA-N 1 0 287.790 4.171 50 0 CIAARO COc1cccc(C[NH2+]C(C)C)c1OCc1cccc(C)c1 ZINC000032184717 567955986 /nfs/dbraw/zinc/95/59/86/567955986.db2.gz CVTAWMWQAFNZAP-UHFFFAOYSA-N 1 0 299.414 4.081 50 0 CIAARO CCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1C ZINC000032184715 567955998 /nfs/dbraw/zinc/95/59/98/567955998.db2.gz XRLQWYXUKSZLPF-UHFFFAOYSA-N 1 0 299.414 4.082 50 0 CIAARO COc1cc(C)c(C[NH2+][C@H]2CCCc3ccccc32)cc1C ZINC000004685519 570215905 /nfs/dbraw/zinc/21/59/05/570215905.db2.gz JLHISEUMRGTBRM-IBGZPJMESA-N 1 0 295.426 4.479 50 0 CIAARO Cc1ccsc1C[N@@H+]1Cc2cc(C)ccc2O[C@@H](C)C1 ZINC000055108153 570240252 /nfs/dbraw/zinc/24/02/52/570240252.db2.gz ALCHKKGVHJNDMX-AWEZNQCLSA-N 1 0 287.428 4.148 50 0 CIAARO c1ccc2c(c1)CC[N@@H+](C13CC4CC(CC(C4)C1)C3)C2 ZINC000065336784 570243484 /nfs/dbraw/zinc/24/34/84/570243484.db2.gz NZPHXWRBQKZAGV-UHFFFAOYSA-N 1 0 267.416 4.014 50 0 CIAARO CC[C@@H](C)c1c(-c2ccccc2)ncn1CCCCC[NH3+] ZINC000065531597 570244378 /nfs/dbraw/zinc/24/43/78/570244378.db2.gz HUVZYFFCYNXRSL-OAHLLOKOSA-N 1 0 285.435 4.193 50 0 CIAARO C[C@H]([NH2+]C1(c2ccccc2)CCCC1)c1cncc(F)c1 ZINC000097037784 570251518 /nfs/dbraw/zinc/25/15/18/570251518.db2.gz BVQWXHVTPNCRDA-AWEZNQCLSA-N 1 0 284.378 4.341 50 0 CIAARO Cc1[nH]c2ccccc2c1[C@@H](c1ccncc1)[NH+]1CCCC1 ZINC000000353090 570264861 /nfs/dbraw/zinc/26/48/61/570264861.db2.gz SMJAGZPKNZYDGL-LJQANCHMSA-N 1 0 291.398 4.057 50 0 CIAARO C(=C\c1ccccc1)\C[NH2+]CCc1c[nH]c2ccccc12 ZINC000033936581 570273596 /nfs/dbraw/zinc/27/35/96/570273596.db2.gz HXFLQBANGDSGQG-TWGQIWQCSA-N 1 0 276.383 4.013 50 0 CIAARO Fc1cccc(C[N@H+](Cc2ccco2)C2CCCC2)c1 ZINC000048264545 570296477 /nfs/dbraw/zinc/29/64/77/570296477.db2.gz MNZKULUCSYNCNG-UHFFFAOYSA-N 1 0 273.351 4.364 50 0 CIAARO CCn1c2ccccc2nc1C[NH2+]C1CCCCCCC1 ZINC000037977288 570313689 /nfs/dbraw/zinc/31/36/89/570313689.db2.gz NHIWGBXFUDUQDJ-UHFFFAOYSA-N 1 0 285.435 4.259 50 0 CIAARO CC[NH2+]Cc1cccc(OCc2c(F)cccc2Cl)c1 ZINC000033448301 570316152 /nfs/dbraw/zinc/31/61/52/570316152.db2.gz YCYTUSHTCXQZID-UHFFFAOYSA-N 1 0 293.769 4.168 50 0 CIAARO [NH3+]CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000000004531 570319097 /nfs/dbraw/zinc/31/90/97/570319097.db2.gz WIQRCHMSJFFONW-HNNXBMFYSA-N 1 0 295.304 4.174 50 0 world CIAARO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(C)c2)cc1 ZINC000015836871 570344021 /nfs/dbraw/zinc/34/40/21/570344021.db2.gz PZRJCUPQKZKSSN-LJQANCHMSA-N 1 0 281.399 4.341 50 0 CIAARO Fc1cc(C[NH2+]C2CCCCC2)ccc1Br ZINC000043576940 570345069 /nfs/dbraw/zinc/34/50/69/570345069.db2.gz ZLVHTSPRNRVFNB-UHFFFAOYSA-N 1 0 286.188 4.011 50 0 CIAARO CS[C@@H]1CCCC[N@@H+]([C@H]2CCCc3nc(C)sc32)C1 ZINC000252586645 570375707 /nfs/dbraw/zinc/37/57/07/570375707.db2.gz ROAOUQOHGCJAGT-OCCSQVGLSA-N 1 0 296.505 4.046 50 0 CIAARO Cc1ccc(C)c(N2CC[NH+](C3CCCCCC3)CC2)c1 ZINC000004981400 570384918 /nfs/dbraw/zinc/38/49/18/570384918.db2.gz OIWPKYBNHMFHQC-UHFFFAOYSA-N 1 0 286.463 4.148 50 0 CIAARO Cc1ccc(C)c(N2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)c1 ZINC000004981386 570384934 /nfs/dbraw/zinc/38/49/34/570384934.db2.gz JQCRYKFJQAXIGC-YJBOKZPZSA-N 1 0 286.463 4.004 50 0 CIAARO c1ccc2sc(SCCC[NH+]3CCCCC3)nc2c1 ZINC000001786778 230367052 /nfs/dbraw/zinc/36/70/52/230367052.db2.gz JQYPUPKSYMITQB-UHFFFAOYSA-N 1 0 292.473 4.264 50 0 CIAARO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000104570725 230393652 /nfs/dbraw/zinc/39/36/52/230393652.db2.gz DDUUBOPACZXWGO-JTOWHCCKSA-N 1 0 275.436 4.128 50 0 CIAARO CC[NH+](CC)CCn1c2ccccc2c2ccccc21 ZINC000095918029 185030733 /nfs/dbraw/zinc/03/07/33/185030733.db2.gz MPKSTVHOKAUCRQ-UHFFFAOYSA-N 1 0 266.388 4.136 50 0 CIAARO C[C@H](c1cccc(-c2ccc(F)cn2)c1)[NH+]1CCCC1 ZINC000096138521 185105501 /nfs/dbraw/zinc/10/55/01/185105501.db2.gz KKXYPLXFJSSNAY-CYBMUJFWSA-N 1 0 270.351 4.045 50 0 CIAARO Clc1cccc(Cl)c1SC[C@H]1CCC[NH2+]C1 ZINC000083308939 178380221 /nfs/dbraw/zinc/38/02/21/178380221.db2.gz HVAZFZURIKESEP-VIFPVBQESA-N 1 0 276.232 4.085 50 0 CIAARO C[C@@H]([NH2+]CCc1ccc(O)cc1)c1cccc2ccccc21 ZINC000096999130 185149723 /nfs/dbraw/zinc/14/97/23/185149723.db2.gz VFSHGKAMVHEDMO-OAHLLOKOSA-N 1 0 291.394 4.439 50 0 CIAARO CC(C)[C@H]([NH2+]C[C@H]1CC=CCC1)c1nc2ccccc2[nH]1 ZINC000096997154 185148963 /nfs/dbraw/zinc/14/89/63/185148963.db2.gz GWVWUPDEKKPZEW-YOEHRIQHSA-N 1 0 283.419 4.206 50 0 CIAARO CCc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000002577189 169812672 /nfs/dbraw/zinc/81/26/72/169812672.db2.gz ZZKJKRQDOVNYSE-UHFFFAOYSA-N 1 0 278.399 4.063 50 0 CIAARO CC[C@@H]1CCC[N@@H+]([C@H](C)c2c(F)cccc2F)C1 ZINC000106862117 186143045 /nfs/dbraw/zinc/14/30/45/186143045.db2.gz WTUFKUGXDYGWLD-VXGBXAGGSA-N 1 0 253.336 4.148 50 0 CIAARO C[Si](C)(C)[NH+](CCc1ccccc1)[Si](C)(C)C ZINC000169983850 188666922 /nfs/dbraw/zinc/66/69/22/188666922.db2.gz ZMJNXPQHDGIESY-UHFFFAOYSA-N 1 0 265.549 4.201 50 0 CIAARO c1ccc(C[C@@H]([NH2+]CC[C@@H]2CCCO2)c2ccccc2)cc1 ZINC000170640685 188680429 /nfs/dbraw/zinc/68/04/29/188680429.db2.gz YVCRYZYAWVAHCD-VQTJNVASSA-N 1 0 295.426 4.129 50 0 CIAARO CCOc1cc2c(cc1OCC)[C@@H](C(CC)CC)[NH2+]CC2 ZINC000000034606 169511763 /nfs/dbraw/zinc/51/17/63/169511763.db2.gz KZMXNWOCGHUYSJ-GOSISDBHSA-N 1 0 291.435 4.107 50 0 CIAARO C(=C/c1ccccc1)\C[NH2+][C@H]1CCCc2ccccc21 ZINC000004346249 184531628 /nfs/dbraw/zinc/53/16/28/184531628.db2.gz FSJJBKZFODAUPN-VQFGERMISA-N 1 0 263.384 4.367 50 0 CIAARO C[C@H](c1cccc(-c2noc(C3CCC3)n2)c1)[NH+]1CCCC1 ZINC000426537378 256859502 /nfs/dbraw/zinc/85/95/02/256859502.db2.gz BPELLHJFHOERFA-CYBMUJFWSA-N 1 0 297.402 4.161 50 0 CIAARO C[C@H](CCc1ccc(O)cc1)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000001225335 169691966 /nfs/dbraw/zinc/69/19/66/169691966.db2.gz VLWUGTIBJUYQPX-ZXJCKZHESA-N 1 0 299.458 4.128 50 0 CIAARO C[NH2+]CCCC12CCC(c3ccccc31)c1ccccc12 ZINC000001530688 169711773 /nfs/dbraw/zinc/71/17/73/169711773.db2.gz QSLMDECMDJKHMQ-UHFFFAOYSA-N 1 0 277.411 4.211 50 0 fda CIAARO CC[NH+](CC)CCCOc1ccc(Cl)cc1Cl ZINC000002271477 169784000 /nfs/dbraw/zinc/78/40/00/169784000.db2.gz IKOYHUIEMRLIOZ-UHFFFAOYSA-N 1 0 276.207 4.104 50 0 CIAARO CCOc1ccc(C[NH2+][C@H]2CCCc3ccccc32)cc1 ZINC000004700564 170001591 /nfs/dbraw/zinc/00/15/91/170001591.db2.gz ZGLBNSCDBAFBGC-IBGZPJMESA-N 1 0 281.399 4.253 50 0 CIAARO CC1CC[NH+](CCOc2ccccc2-c2ccccc2)CC1 ZINC000004845183 170029890 /nfs/dbraw/zinc/02/98/90/170029890.db2.gz FVXZEIOBVBIUHA-UHFFFAOYSA-N 1 0 295.426 4.464 50 0 CIAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)c1c(C)[nH]c2cc(C)ccc21 ZINC000004871561 170034694 /nfs/dbraw/zinc/03/46/94/170034694.db2.gz HGMHOFLXGOOWRI-OAHLLOKOSA-N 1 0 298.430 4.232 50 0 CIAARO Cc1cc(C)c(OCC[N@H+]2CCC[C@H](C)C2)c(Cl)c1 ZINC000004885431 170036381 /nfs/dbraw/zinc/03/63/81/170036381.db2.gz OCHJQTFQKMOYPN-LBPRGKRZSA-N 1 0 281.827 4.068 50 0 CIAARO Cc1c(Cl)ccc(OCC[N@H+]2CCC[C@H](C)C2)c1C ZINC000004907396 170040090 /nfs/dbraw/zinc/04/00/90/170040090.db2.gz YZAYHFATCVEVMG-LBPRGKRZSA-N 1 0 281.827 4.068 50 0 CIAARO C[N@H+](CCOc1ccc2ccccc2c1)Cc1ccccc1 ZINC000004914751 170040530 /nfs/dbraw/zinc/04/05/30/170040530.db2.gz KAMVNQOQZSRLBK-UHFFFAOYSA-N 1 0 291.394 4.351 50 0 CIAARO Cc1cc(OCC[N@@H+]2CCC[C@@H](C)C2)cc(C(C)C)c1 ZINC000004912924 170040616 /nfs/dbraw/zinc/04/06/16/170040616.db2.gz IMGKDVFIGIDJBQ-OAHLLOKOSA-N 1 0 275.436 4.229 50 0 CIAARO FC(F)(F)c1ccc(C[NH+]2CCCCCCC2)cc1 ZINC000004977940 170048050 /nfs/dbraw/zinc/04/80/50/170048050.db2.gz GSCSIJUITOGDQT-UHFFFAOYSA-N 1 0 271.326 4.472 50 0 CIAARO CCCCOc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000004988846 170049766 /nfs/dbraw/zinc/04/97/66/170049766.db2.gz IWVNIFFHVKMAJQ-UHFFFAOYSA-N 1 0 295.426 4.424 50 0 CIAARO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)c2ccccc2)cc1 ZINC000004989192 170050271 /nfs/dbraw/zinc/05/02/71/170050271.db2.gz YOCAPZFWIBUVBR-HZPDHXFCSA-N 1 0 283.415 4.020 50 0 CIAARO FC(F)(F)c1ccccc1C[NH+]1CCCCCCC1 ZINC000004990301 170050840 /nfs/dbraw/zinc/05/08/40/170050840.db2.gz AKYIPNSAFOCWOC-UHFFFAOYSA-N 1 0 271.326 4.472 50 0 CIAARO CC[C@H]1CCCC[N@@H+]1[C@@H](C)C(=O)c1c[nH]c2ccccc12 ZINC000005562904 170113849 /nfs/dbraw/zinc/11/38/49/170113849.db2.gz KGJRLCFLZQGIOZ-KBPBESRZSA-N 1 0 284.403 4.004 50 0 CIAARO CC[C@H](C)[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000005907936 170153435 /nfs/dbraw/zinc/15/34/35/170153435.db2.gz VITXQMKLAQUXGZ-AWEZNQCLSA-N 1 0 287.378 4.293 50 0 CIAARO CC[C@@H](C)[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000005907306 170153807 /nfs/dbraw/zinc/15/38/07/170153807.db2.gz DMQCTOWQBXVVKH-CQSZACIVSA-N 1 0 287.378 4.293 50 0 CIAARO CC[C@H](C)[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000005907947 170153920 /nfs/dbraw/zinc/15/39/20/170153920.db2.gz SRHLIZWKRYFIJA-HNNXBMFYSA-N 1 0 269.388 4.154 50 0 CIAARO COc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccccc1 ZINC000005910342 170154528 /nfs/dbraw/zinc/15/45/28/170154528.db2.gz XUZIKITYTVCHCD-UHFFFAOYSA-N 1 0 296.197 4.292 50 0 CIAARO C[C@@H]([NH2+]Cc1ccc(Br)cc1)c1ccccc1 ZINC000005954502 170162277 /nfs/dbraw/zinc/16/22/77/170162277.db2.gz KLNKNATWEARTSH-GFCCVEGCSA-N 1 0 290.204 4.300 50 0 CIAARO COc1ccc2ccccc2c1C[NH2+]Cc1ccccc1 ZINC000006200152 170181930 /nfs/dbraw/zinc/18/19/30/170181930.db2.gz HVZKRMYCTIDDJB-UHFFFAOYSA-N 1 0 277.367 4.138 50 0 CIAARO Cc1ccc(C[NH2+]Cc2cccc3ccccc32)cc1 ZINC000006426688 170200476 /nfs/dbraw/zinc/20/04/76/170200476.db2.gz MUBHCWBYXQMDGK-UHFFFAOYSA-N 1 0 261.368 4.438 50 0 CIAARO O=C1c2ccc3ccccc3c2CC[C@H]1C[NH+]1CCCCC1 ZINC000006584119 170215663 /nfs/dbraw/zinc/21/56/63/170215663.db2.gz ZFUFKHDPZPXYLH-INIZCTEOSA-N 1 0 293.410 4.071 50 0 CIAARO [NH3+]C[C@@H](c1c[nH]c2ccccc21)c1c(F)cccc1Cl ZINC000006645707 170221764 /nfs/dbraw/zinc/22/17/64/170221764.db2.gz FMWRUNBSHPPKHP-NSHDSACASA-N 1 0 288.753 4.051 50 0 CIAARO Clc1ccc(C[n+]2ccc3ccccc3c2)c(Cl)c1 ZINC000006671079 170224990 /nfs/dbraw/zinc/22/49/90/170224990.db2.gz GANAECWBPKGPIW-UHFFFAOYSA-N 1 0 289.185 4.482 50 0 CIAARO Clc1ccc(-c2ccc(C[NH2+]Cc3cccnc3)o2)cc1 ZINC000006698114 170227495 /nfs/dbraw/zinc/22/74/95/170227495.db2.gz LDBUZBNGUABJDP-UHFFFAOYSA-N 1 0 298.773 4.285 50 0 CIAARO CC(C)(C)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000006704318 170230610 /nfs/dbraw/zinc/23/06/10/170230610.db2.gz CLSCBNPFPCVANQ-UHFFFAOYSA-N 1 0 269.388 4.154 50 0 CIAARO Fc1ccccc1-c1ccc(C[NH2+]C2CCCC2)o1 ZINC000006730633 170234994 /nfs/dbraw/zinc/23/49/94/170234994.db2.gz SZBJUVWNZZLSQX-UHFFFAOYSA-N 1 0 259.324 4.118 50 0 CIAARO Fc1ccccc1-c1ccc(C[NH2+]Cc2cccs2)o1 ZINC000006730630 170235051 /nfs/dbraw/zinc/23/50/51/170235051.db2.gz OBJCPMOZIYLXPD-UHFFFAOYSA-N 1 0 287.359 4.437 50 0 CIAARO COc1cccc(C[NH2+]C(C)(C)CC(C)(C)C)c1OC ZINC000006857425 170249954 /nfs/dbraw/zinc/24/99/54/170249954.db2.gz OXQBCOUZICPLKG-UHFFFAOYSA-N 1 0 279.424 4.008 50 0 CIAARO CC(C)(C)[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000006882579 170252591 /nfs/dbraw/zinc/25/25/91/170252591.db2.gz UTRHESVELVZBFG-UHFFFAOYSA-N 1 0 287.378 4.293 50 0 CIAARO CCCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000007261712 170273719 /nfs/dbraw/zinc/27/37/19/170273719.db2.gz BHBRIRVNEOMXJL-UHFFFAOYSA-N 1 0 263.768 4.490 50 0 CIAARO CCCC[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000007261740 170273787 /nfs/dbraw/zinc/27/37/87/170273787.db2.gz NXZSGHHQFAWPNY-UHFFFAOYSA-N 1 0 287.378 4.294 50 0 CIAARO CCOc1c(C[NH2+]C2CCCCCCC2)cccc1OC ZINC000007523442 170288667 /nfs/dbraw/zinc/28/86/67/170288667.db2.gz ZFTPMGDGLDIWHF-UHFFFAOYSA-N 1 0 291.435 4.296 50 0 CIAARO Fc1ccc(-c2ccc(C[NH2+]Cc3ccccc3)o2)cc1 ZINC000007524355 170288859 /nfs/dbraw/zinc/28/88/59/170288859.db2.gz OKIAFLBYBKHZSA-UHFFFAOYSA-N 1 0 281.330 4.376 50 0 CIAARO CSc1ccc(C[NH2+]Cc2ccc(C)cc2)cc1 ZINC000007538195 170290234 /nfs/dbraw/zinc/29/02/34/170290234.db2.gz DCOSPGOKNQTERX-UHFFFAOYSA-N 1 0 257.402 4.007 50 0 CIAARO CC(C)c1ccc(C[n+]2ccc3ccccc3c2)cc1 ZINC000007714864 170298966 /nfs/dbraw/zinc/29/89/66/170298966.db2.gz XISLNJYEBQGYBD-UHFFFAOYSA-N 1 0 262.376 4.299 50 0 CIAARO CC(C)(C)c1ccc(CSC2=[NH+]CC(C)(C)CN2)cc1 ZINC000007760092 170300998 /nfs/dbraw/zinc/30/09/98/170300998.db2.gz ZWXXHPLDWSSJPG-UHFFFAOYSA-N 1 0 290.476 4.203 50 0 CIAARO CCOc1ccc(C[NH2+]C2CCCCCC2)cc1OCC ZINC000008324854 170331516 /nfs/dbraw/zinc/33/15/16/170331516.db2.gz PHHUBQLHHRYRSK-UHFFFAOYSA-N 1 0 291.435 4.296 50 0 CIAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](C)CC ZINC000008326684 170331552 /nfs/dbraw/zinc/33/15/52/170331552.db2.gz OFTWSJKAWNCCOP-VIFPVBQESA-N 1 0 276.207 4.280 50 0 CIAARO CCCC[N@H+](CC)Cc1c(C)[nH]c2c(C)cccc2c1=O ZINC000008691927 170345859 /nfs/dbraw/zinc/34/58/59/170345859.db2.gz MCACGVOLEZEJFI-UHFFFAOYSA-N 1 0 286.419 4.179 50 0 CIAARO CCc1cccc2c(=O)c(C[NH+]3CCC(C)CC3)c(C)[nH]c12 ZINC000009083053 170363324 /nfs/dbraw/zinc/36/33/24/170363324.db2.gz GKEWDLMBVHENMB-UHFFFAOYSA-N 1 0 298.430 4.043 50 0 CIAARO [NH3+][C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000016082952 170686661 /nfs/dbraw/zinc/68/66/61/170686661.db2.gz BWSDVZYTGXWAFC-ZDUSSCGKSA-N 1 0 252.144 4.042 50 0 CIAARO Fc1ccc(CC[NH2+]Cc2c(Cl)cccc2Cl)cc1 ZINC000016383718 170695823 /nfs/dbraw/zinc/69/58/23/170695823.db2.gz OYNZISDCMJSSLE-UHFFFAOYSA-N 1 0 298.188 4.465 50 0 CIAARO COc1ccccc1/C=C/C[NH2+][C@@H](C)c1ccccc1 ZINC000019927582 170930196 /nfs/dbraw/zinc/93/01/96/170930196.db2.gz VAAIILWMHGUOSZ-JQVXPOPVSA-N 1 0 267.372 4.059 50 0 CIAARO CCC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000020158596 171040114 /nfs/dbraw/zinc/04/01/14/171040114.db2.gz CQFNHNXHPANUBK-UHFFFAOYSA-N 1 0 283.293 4.465 50 0 CIAARO CC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000020158594 171040251 /nfs/dbraw/zinc/04/02/51/171040251.db2.gz RFXTULCNRICWKZ-UHFFFAOYSA-N 1 0 269.266 4.075 50 0 CIAARO CCCOc1ccc(C[NH2+]Cc2ccc(C)cc2)cc1 ZINC000020552181 171247463 /nfs/dbraw/zinc/24/74/63/171247463.db2.gz OHMSGPSESDCDCA-UHFFFAOYSA-N 1 0 269.388 4.074 50 0 CIAARO CC[NH2+]Cc1ccc(-c2ccc(Br)c(C)c2)o1 ZINC000020875780 171277427 /nfs/dbraw/zinc/27/74/27/171277427.db2.gz OTTMTTHTCIGOIK-UHFFFAOYSA-N 1 0 294.192 4.127 50 0 CIAARO Cc1ccc(-c2ccc(C[NH2+]C3CC3)o2)cc1Cl ZINC000020876643 171277651 /nfs/dbraw/zinc/27/76/51/171277651.db2.gz ZURJPNRHKBYWHN-UHFFFAOYSA-N 1 0 261.752 4.160 50 0 CIAARO CCCOc1ccccc1C[NH2+]Cc1ccc(C)cc1 ZINC000020924559 171279838 /nfs/dbraw/zinc/27/98/38/171279838.db2.gz OEVLKJLKHNKXGB-UHFFFAOYSA-N 1 0 269.388 4.074 50 0 CIAARO CCCOc1c(Cl)cc(C[NH2+]CCC(C)C)cc1OC ZINC000020931739 171281066 /nfs/dbraw/zinc/28/10/66/171281066.db2.gz ZREIJAZFXBOPET-UHFFFAOYSA-N 1 0 299.842 4.273 50 0 CIAARO CCOc1ccccc1C[NH2+][C@H]1CCCc2ccccc21 ZINC000021506893 171308269 /nfs/dbraw/zinc/30/82/69/171308269.db2.gz SVNUISLMAAAZMS-SFHVURJKSA-N 1 0 281.399 4.253 50 0 CIAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(C)c(C)c1 ZINC000021719734 171320026 /nfs/dbraw/zinc/32/00/26/171320026.db2.gz VDSXZKUHMKSJAV-QGZVFWFLSA-N 1 0 284.403 4.245 50 0 CIAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1C ZINC000021720757 171320580 /nfs/dbraw/zinc/32/05/80/171320580.db2.gz NHPJSVXNJYLKRT-QGZVFWFLSA-N 1 0 298.430 4.499 50 0 CIAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccccc1Cl ZINC000021720704 171320854 /nfs/dbraw/zinc/32/08/54/171320854.db2.gz JDVXLPAPIVYZBP-HNNXBMFYSA-N 1 0 290.794 4.282 50 0 CIAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1C ZINC000021719809 171320944 /nfs/dbraw/zinc/32/09/44/171320944.db2.gz LNIJQMWYYBXZTA-KRWDZBQOSA-N 1 0 284.403 4.245 50 0 CIAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(CC)cc1 ZINC000021720916 171321007 /nfs/dbraw/zinc/32/10/07/171321007.db2.gz WZBCRVYCJTYWTH-QGZVFWFLSA-N 1 0 298.430 4.445 50 0 CIAARO CCCOc1ccc(C[NH2+]CCC2=CCCCC2)cc1 ZINC000021813085 171330548 /nfs/dbraw/zinc/33/05/48/171330548.db2.gz MLMNLZHJYJPACR-UHFFFAOYSA-N 1 0 273.420 4.456 50 0 CIAARO Cc1cc(NCCc2ccccc2)c2ccccc2[nH+]1 ZINC000035206338 172049812 /nfs/dbraw/zinc/04/98/12/172049812.db2.gz KSZBJWGGUFJETB-UHFFFAOYSA-N 1 0 262.356 4.198 50 0 CIAARO Cc1ccc(C[NH2+][C@@H]2CCCc3occc32)cc1C ZINC000035273603 172093473 /nfs/dbraw/zinc/09/34/73/172093473.db2.gz JZLSLRHANAMHNW-MRXNPFEDSA-N 1 0 255.361 4.064 50 0 CIAARO C[NH2+]CC[C@H](c1cccs1)c1ccc(O)c2ccccc21 ZINC000035567295 172265205 /nfs/dbraw/zinc/26/52/05/172265205.db2.gz OJXMJLCWKLPCHB-INIZCTEOSA-N 1 0 297.423 4.348 50 0 in-vitro CIAARO CCOc1cccc(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)c1 ZINC000037505669 173240728 /nfs/dbraw/zinc/24/07/28/173240728.db2.gz HGOCTQLFKYZQJE-CXAGYDPISA-N 1 0 285.387 4.092 50 0 CIAARO CCCC[N@@H+]1CCCn2cccc2[C@H]1c1ccccc1F ZINC000037522930 173250866 /nfs/dbraw/zinc/25/08/66/173250866.db2.gz SXTMGUKFPYGXFT-GOSISDBHSA-N 1 0 286.394 4.222 50 0 CIAARO C[C@H]([NH2+]CC[C@H]1CCCO1)c1cccc2ccccc21 ZINC000038095392 174108679 /nfs/dbraw/zinc/10/86/79/174108679.db2.gz PKHJPJFTROQFMV-GOEBONIOSA-N 1 0 269.388 4.060 50 0 CIAARO Cc1ncc(C[N@@H+](C)[C@H](C)c2cc3ccccc3o2)s1 ZINC000040158347 174194680 /nfs/dbraw/zinc/19/46/80/174194680.db2.gz PKFDRYKZGACTAL-LLVKDONJSA-N 1 0 286.400 4.391 50 0 CIAARO COc1cc(C[NH2+]C2CCCC2)cc(Cl)c1OC(C)C ZINC000040721127 174385380 /nfs/dbraw/zinc/38/53/80/174385380.db2.gz KAADVHWRZPYOKC-UHFFFAOYSA-N 1 0 297.826 4.168 50 0 CIAARO CCCOc1cccc(C[NH2+]CCC2=CCCCC2)c1 ZINC000040722076 174385422 /nfs/dbraw/zinc/38/54/22/174385422.db2.gz GBCHMRPRZOWSTL-UHFFFAOYSA-N 1 0 273.420 4.456 50 0 CIAARO CC[C@H](C)[NH2+]Cc1cc(Cl)c(OC(C)C)c(OC)c1 ZINC000040729397 174388369 /nfs/dbraw/zinc/38/83/69/174388369.db2.gz RYUQMOBWSKZVFR-NSHDSACASA-N 1 0 285.815 4.024 50 0 CIAARO [NH3+]Cc1ccccc1-c1ccc(Cl)cc1Cl ZINC000042372773 174702166 /nfs/dbraw/zinc/70/21/66/174702166.db2.gz NUOPVWPBGUZVPG-UHFFFAOYSA-N 1 0 252.144 4.119 50 0 CIAARO CCC(C)(C)c1ccc(OCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000042773177 174872148 /nfs/dbraw/zinc/87/21/48/174872148.db2.gz JAUMAAHLMXQRTD-HNNXBMFYSA-N 1 0 275.436 4.143 50 0 CIAARO Clc1ccc(OCC[C@H]2CCCC[NH2+]2)c2ccccc12 ZINC000042773354 174872478 /nfs/dbraw/zinc/87/24/78/174872478.db2.gz XDQVRPXTDASMHO-CYBMUJFWSA-N 1 0 289.806 4.404 50 0 CIAARO CCCn1cc(C[NH2+]C(C)(C)CC)c2ccccc21 ZINC000045945262 175388214 /nfs/dbraw/zinc/38/82/14/175388214.db2.gz GZDZPYSEAIKKIR-UHFFFAOYSA-N 1 0 258.409 4.330 50 0 CIAARO CC(=O)c1cccc(-c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000065380554 175724951 /nfs/dbraw/zinc/72/49/51/175724951.db2.gz OKOCCNYAIDMKRY-UHFFFAOYSA-N 1 0 279.383 4.152 50 0 CIAARO COCCCCC[NH2+]C1(c2ccccc2)CCCCC1 ZINC000071771246 176262421 /nfs/dbraw/zinc/26/24/21/176262421.db2.gz YVCJWUBKGKBXDB-UHFFFAOYSA-N 1 0 275.436 4.252 50 0 CIAARO CC[C@@H]([NH3+])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000008698415 260032576 /nfs/dbraw/zinc/03/25/76/260032576.db2.gz JDBPNFXZESJTAH-SECBINFHSA-N 1 0 271.204 4.134 50 0 CIAARO CC(C)Oc1ccc(Cl)cc1C[NH2+]Cc1ccccc1 ZINC000040730276 260178841 /nfs/dbraw/zinc/17/88/41/260178841.db2.gz XJLOZYPXSURRLE-UHFFFAOYSA-N 1 0 289.806 4.417 50 0 CIAARO C[C@@H]1C[N@@H+](C2c3ccccc3-c3ccccc32)CC(C)(C)O1 ZINC000065427029 260242692 /nfs/dbraw/zinc/24/26/92/260242692.db2.gz KGFHSXKAIAZNKM-CQSZACIVSA-N 1 0 293.410 4.256 50 0 CIAARO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccccc1Cl ZINC000019908285 262204816 /nfs/dbraw/zinc/20/48/16/262204816.db2.gz KGPFZQCPKMYXBM-CYBMUJFWSA-N 1 0 289.806 4.157 50 0 CIAARO COc1ccc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004311800 326810868 /nfs/dbraw/zinc/81/08/68/326810868.db2.gz DCMRZMICRZUZGY-UYIIGHAYSA-N 1 0 299.458 4.390 50 0 CIAARO Fc1ccc(CC[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000019872134 326857601 /nfs/dbraw/zinc/85/76/01/326857601.db2.gz RVCJUDCCAQKFOQ-UHFFFAOYSA-N 1 0 298.188 4.465 50 0 CIAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]CCC1=CCCCC1 ZINC000000220878 332967363 /nfs/dbraw/zinc/96/73/63/332967363.db2.gz ROGCIVBVEPPDIT-HNNXBMFYSA-N 1 0 273.420 4.193 50 0 CIAARO C[C@H]([NH2+]Cc1ccccc1)[C@H]1CCCc2ccccc21 ZINC000521398212 333117859 /nfs/dbraw/zinc/11/78/59/333117859.db2.gz WTENMTYHLJCZRL-MAUKXSAKSA-N 1 0 265.400 4.285 50 0 CIAARO CC[N@H+](C/C=C/c1ccccc1OC)Cc1ccccc1 ZINC000004989102 520291396 /nfs/dbraw/zinc/29/13/96/520291396.db2.gz WTYGMIUZWCLWNJ-UKTHLTGXSA-N 1 0 281.399 4.231 50 0 CIAARO CCC[N@@H+](Cc1ccc(OC)c2ccccc12)CC1CC1 ZINC000016663027 521684279 /nfs/dbraw/zinc/68/42/79/521684279.db2.gz RSPTUMAMDZOOCI-UHFFFAOYSA-N 1 0 283.415 4.470 50 0 CIAARO COc1ccc(CC[C@@H](C)[NH2+]CC2CCCCC2)cc1 ZINC000004989234 523981205 /nfs/dbraw/zinc/98/12/05/523981205.db2.gz IIQMIOKGYICGNZ-OAHLLOKOSA-N 1 0 275.436 4.186 50 0 CIAARO C[C@H]([NH2+]C1CCCC1)c1cccc(Br)c1 ZINC000019883392 567879463 /nfs/dbraw/zinc/87/94/63/567879463.db2.gz ZWNULXBVGWRADA-JTQLQIEISA-N 1 0 268.198 4.042 50 0 CIAARO Cc1ccc([C@@H]2[NH2+][C@H](c3ccc(C)cc3)C[C@H](O)[C@H]2C)cc1 ZINC000239247988 566825182 /nfs/dbraw/zinc/82/51/82/566825182.db2.gz XUTBFEKNQJBEOI-XFWGSAIBSA-N 1 0 295.426 4.076 50 0 CIAARO Cc1nc([C@H](C)[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)co1 ZINC000241965553 566826297 /nfs/dbraw/zinc/82/62/97/566826297.db2.gz UTTXTZRURCJWTN-GDMYFMPLSA-N 1 0 288.435 4.239 50 0 CIAARO CCOc1ccc2[nH+]c(C)cc(Nc3ccc(O)cc3)c2c1 ZINC000000949043 566832655 /nfs/dbraw/zinc/83/26/55/566832655.db2.gz QFVBZGRGDFQSJS-UHFFFAOYSA-N 1 0 294.354 4.391 50 0 CIAARO CC(C)C[NH2+]CCCSc1nc2ccccc2s1 ZINC000001811830 566842701 /nfs/dbraw/zinc/84/27/01/566842701.db2.gz MCVOBXYPWKSPOA-UHFFFAOYSA-N 1 0 280.462 4.024 50 0 CIAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)c2cccs2)cc1 ZINC000012530282 566847457 /nfs/dbraw/zinc/84/74/57/566847457.db2.gz UURGBOOCLVAOEB-ZDUSSCGKSA-N 1 0 297.427 4.297 50 0 CIAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)c2cccs2)cc1 ZINC000012530279 566847610 /nfs/dbraw/zinc/84/76/10/566847610.db2.gz UURGBOOCLVAOEB-CYBMUJFWSA-N 1 0 297.427 4.297 50 0 CIAARO c1ccc(-c2ccc3c(c2)c2c4n3CC[NH2+][C@@H]4CCC2)cc1 ZINC000001300332 566859897 /nfs/dbraw/zinc/85/98/97/566859897.db2.gz ZSJHCDGFMRJUFK-GOSISDBHSA-N 1 0 288.394 4.289 50 0 CIAARO CC(C)(CC[NH2+][C@@H]1CCOC(C)(C)C1)Cc1ccccc1 ZINC000032124090 566862278 /nfs/dbraw/zinc/86/22/78/566862278.db2.gz CIGPKBJGMUCIPM-QGZVFWFLSA-N 1 0 289.463 4.193 50 0 CIAARO COc1cccc([C@H](C)[NH2+]CC2(c3ccccc3)CC2)c1 ZINC000084656244 566883964 /nfs/dbraw/zinc/88/39/64/566883964.db2.gz WBLJEOBNQZEEFG-HNNXBMFYSA-N 1 0 281.399 4.078 50 0 CIAARO Cc1ccccc1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000094519086 566959063 /nfs/dbraw/zinc/95/90/63/566959063.db2.gz FNELYSMVJURJFU-UHFFFAOYSA-N 1 0 251.373 4.162 50 0 CIAARO CC[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(C)O ZINC000239309374 566965941 /nfs/dbraw/zinc/96/59/41/566965941.db2.gz HLZZWYXFUPJRKG-FYQPLNBISA-N 1 0 295.426 4.240 50 0 CIAARO C[C@H](c1cccc(-c2cnn(CC3CC3)c2)c1)[NH+]1CCCC1 ZINC000426465279 566988716 /nfs/dbraw/zinc/98/87/16/566988716.db2.gz SSGZEYZEBATPNM-OAHLLOKOSA-N 1 0 295.430 4.117 50 0 CIAARO CCn1ncc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)c1C ZINC000426737514 566989985 /nfs/dbraw/zinc/98/99/85/566989985.db2.gz NBGBGNQIUCTVHT-AWEZNQCLSA-N 1 0 283.419 4.035 50 0 CIAARO C[C@H]([NH2+]C1(c2ccccc2)CCC1)c1ccsc1 ZINC000170067284 567006269 /nfs/dbraw/zinc/00/62/69/567006269.db2.gz DNEPKIAVIVPJML-ZDUSSCGKSA-N 1 0 257.402 4.478 50 0 CIAARO CC(C)[N@H+](Cc1ccn(-c2ccccc2)n1)C1CCCC1 ZINC000170623172 567014976 /nfs/dbraw/zinc/01/49/76/567014976.db2.gz HVFSGIQAESTSKJ-UHFFFAOYSA-N 1 0 283.419 4.025 50 0 CIAARO CC[C@@H](C)c1ccccc1OCC[NH2+]Cc1ccccc1 ZINC000002822151 567036694 /nfs/dbraw/zinc/03/66/94/567036694.db2.gz FYOYAKXRHISLHD-MRXNPFEDSA-N 1 0 283.415 4.369 50 0 CIAARO CCC(C)(C)c1ccc(OCCCC[NH+](C)C)cc1 ZINC000002822761 567037162 /nfs/dbraw/zinc/03/71/62/567037162.db2.gz BVXSRPSLBIETJS-UHFFFAOYSA-N 1 0 263.425 4.095 50 0 CIAARO Cc1ccc(OCCCC[NH+]2CCCCCC2)c(C)c1 ZINC000002822361 567037415 /nfs/dbraw/zinc/03/74/15/567037415.db2.gz DHCRAWRNVVFIMM-UHFFFAOYSA-N 1 0 275.436 4.338 50 0 CIAARO C[C@@H]([NH2+][C@H]1CC2(CCC2)Oc2ccccc21)c1ccccn1 ZINC000095419203 567039236 /nfs/dbraw/zinc/03/92/36/567039236.db2.gz HAGLOEOMHFVDDQ-PBHICJAKSA-N 1 0 294.398 4.179 50 0 CIAARO Cc1noc(C)c1[C@@H](C)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000095968009 567040038 /nfs/dbraw/zinc/04/00/38/567040038.db2.gz OTNSYZOJYMXMKI-PSLIRLAXSA-N 1 0 290.794 4.283 50 0 CIAARO Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000095968008 567041224 /nfs/dbraw/zinc/04/12/24/567041224.db2.gz OTNSYZOJYMXMKI-BJOHPYRUSA-N 1 0 290.794 4.283 50 0 CIAARO CC(C)[C@@H](CC[NH2+]C[C@H]1CCOC(C)(C)C1)c1ccco1 ZINC000002098130 567042616 /nfs/dbraw/zinc/04/26/16/567042616.db2.gz IHVFADSYBVMSHU-JKSUJKDBSA-N 1 0 293.451 4.204 50 0 CIAARO Fc1cccc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)c1F ZINC000170642039 567043895 /nfs/dbraw/zinc/04/38/95/567043895.db2.gz LASJGHUTAQEZBU-INIZCTEOSA-N 1 0 287.353 4.172 50 0 CIAARO C[N@@H+]1CCC[C@H]1CN1c2ccccc2Sc2ccccc21 ZINC000004558921 567058604 /nfs/dbraw/zinc/05/86/04/567058604.db2.gz RMSSYNIPZYVOBT-AWEZNQCLSA-N 1 0 296.439 4.384 50 0 CIAARO CCCC[C@H]1C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@]2(C)C1 ZINC000004026471 567074736 /nfs/dbraw/zinc/07/47/36/567074736.db2.gz XFRKOROYPDUFGL-AUUYWEPGSA-N 1 0 282.431 4.451 50 0 CIAARO CCC[NH+](CCC)[C@@H]1CCCc2ccc(OC)cc2C1 ZINC000019898966 567087700 /nfs/dbraw/zinc/08/77/00/567087700.db2.gz VULSLMKQLJTKFU-QGZVFWFLSA-N 1 0 275.436 4.065 50 0 CIAARO [NH3+]CC[C@@H](Cc1ccccc1)c1ccc(Cl)cc1 ZINC000002347484 567099707 /nfs/dbraw/zinc/09/97/07/567099707.db2.gz AFKTVERPSWBIBL-HNNXBMFYSA-N 1 0 259.780 4.015 50 0 CIAARO C[C@H](C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)n1cnc2ccccc21 ZINC000019866939 567123160 /nfs/dbraw/zinc/12/31/60/567123160.db2.gz OIZIQZLMZPPCCL-IXDOHACOSA-N 1 0 297.446 4.109 50 0 CIAARO Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000230277721 567160124 /nfs/dbraw/zinc/16/01/24/567160124.db2.gz OWZHGGQGPCRZDT-TYNCELHUSA-N 1 0 278.440 4.027 50 0 CIAARO C[C@H](c1cccc(Br)c1)[NH+]1CCC(C)CC1 ZINC000133358297 567179754 /nfs/dbraw/zinc/17/97/54/567179754.db2.gz JLDXRRHIRAJSRF-GFCCVEGCSA-N 1 0 282.225 4.242 50 0 CIAARO Cc1ccc([C@H](CC[NH3+])c2ccc(OC(C)C)cc2)cc1 ZINC000004040516 567184530 /nfs/dbraw/zinc/18/45/30/567184530.db2.gz IMRSSWNBDQQXNH-IBGZPJMESA-N 1 0 283.415 4.263 50 0 CIAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)CC(C)C ZINC000069509292 567201069 /nfs/dbraw/zinc/20/10/69/567201069.db2.gz GKZYIGVECVWTNV-HNNXBMFYSA-N 1 0 299.462 4.072 50 0 CIAARO CC1=Nc2ccccc2N=C(N)[C@@H]1c1ccc(Cl)cc1 ZINC000000527056 567833326 /nfs/dbraw/zinc/83/33/26/567833326.db2.gz MNLFWUROMUCIKF-HNNXBMFYSA-N 1 0 283.762 4.219 50 0 CIAARO Clc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000001999163 567844092 /nfs/dbraw/zinc/84/40/92/567844092.db2.gz VRHMOCLINRGJOD-UHFFFAOYSA-N 1 0 284.790 4.154 50 0 CIAARO CC[NH+](CC)CCCC1(O)c2ccccc2-c2ccccc21 ZINC000002270315 567845673 /nfs/dbraw/zinc/84/56/73/567845673.db2.gz JWNIGYMKMKEZEJ-UHFFFAOYSA-N 1 0 295.426 4.025 50 0 CIAARO Cc1ccc(C(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1C ZINC000002514569 567846314 /nfs/dbraw/zinc/84/63/14/567846314.db2.gz WOMDLMUDQBILTP-UHFFFAOYSA-N 1 0 293.410 4.130 50 0 CIAARO Cc1cccc(C(=O)c2ccccc2C[NH+]2CCCC2)c1C ZINC000002515562 567846678 /nfs/dbraw/zinc/84/66/78/567846678.db2.gz OPWSGUYZWCYVBC-UHFFFAOYSA-N 1 0 293.410 4.130 50 0 CIAARO O=C(c1ccccc1F)c1ccccc1C[NH+]1CCCCC1 ZINC000002515518 567846826 /nfs/dbraw/zinc/84/68/26/567846826.db2.gz GJHOPKXMBBUCBL-UHFFFAOYSA-N 1 0 297.373 4.043 50 0 CIAARO CC(C)C[C@@H](CO)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000002548228 567848072 /nfs/dbraw/zinc/84/80/72/567848072.db2.gz FWNZCCUWXPYXDR-FQEVSTJZSA-N 1 0 297.442 4.096 50 0 CIAARO Cc1cccc(C)c1OCCCC[NH+]1CCCCCC1 ZINC000002838828 567849407 /nfs/dbraw/zinc/84/94/07/567849407.db2.gz ORVUHPFYEUMOMF-UHFFFAOYSA-N 1 0 275.436 4.338 50 0 CIAARO c1ccc2cc(OCCC[NH+]3CCCCCC3)ccc2c1 ZINC000002839076 567849632 /nfs/dbraw/zinc/84/96/32/567849632.db2.gz ARVBXUPPBHLQNW-UHFFFAOYSA-N 1 0 283.415 4.485 50 0 CIAARO Cc1cc(C)c(OCCCCC[NH+]2CCCC2)c(C)c1 ZINC000002902659 567850488 /nfs/dbraw/zinc/85/04/88/567850488.db2.gz GAHLUKXHIDHLPS-UHFFFAOYSA-N 1 0 275.436 4.257 50 0 CIAARO Cc1cc(Cl)c(OCCC[NH2+]C(C)(C)C)c(Cl)c1 ZINC000002931939 567850718 /nfs/dbraw/zinc/85/07/18/567850718.db2.gz OKDPSZCEINYLLR-UHFFFAOYSA-N 1 0 290.234 4.459 50 0 CIAARO Cc1cc(Cl)cc(Cl)c1OCC[NH2+]C(C)(C)C ZINC000002932247 567850733 /nfs/dbraw/zinc/85/07/33/567850733.db2.gz YKEBVSLKISQXCV-UHFFFAOYSA-N 1 0 276.207 4.069 50 0 CIAARO C[C@H]1CCC[N@H+](CCCOc2cccc3ccccc32)C1 ZINC000003001909 567851286 /nfs/dbraw/zinc/85/12/86/567851286.db2.gz XVFUAVCJXFORPJ-INIZCTEOSA-N 1 0 283.415 4.341 50 0 CIAARO CCCC[NH2+]CCOc1ccc(Cl)cc1C(C)(C)C ZINC000003003245 567851393 /nfs/dbraw/zinc/85/13/93/567851393.db2.gz SFHYXISOTIORLI-UHFFFAOYSA-N 1 0 283.843 4.406 50 0 CIAARO O=C(Cc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000003845168 567853337 /nfs/dbraw/zinc/85/33/37/567853337.db2.gz IQYUUNSUUQFPGM-HXUWFJFHSA-N 1 0 293.410 4.025 50 0 CIAARO CC1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000003683571 567853693 /nfs/dbraw/zinc/85/36/93/567853693.db2.gz LLMKLTIPZHMDPC-UHFFFAOYSA-N 1 0 292.854 4.041 50 0 CIAARO CCOc1ccc2ccccc2c1CNCc1ccco1 ZINC000004488580 567857773 /nfs/dbraw/zinc/85/77/73/567857773.db2.gz BYNUZLHAKJHJDP-UHFFFAOYSA-N 1 0 281.355 4.121 50 0 CIAARO c1ccc([C@@H]2[NH2+]CC3(CCCC3)c3ccccc32)cc1 ZINC000019789193 567859923 /nfs/dbraw/zinc/85/99/23/567859923.db2.gz MFYDBKIIEQPSAM-SFHVURJKSA-N 1 0 263.384 4.191 50 0 CIAARO CCCCC[NH2+]Cc1ccc(OCC)c(Cl)c1 ZINC000010474807 567861747 /nfs/dbraw/zinc/86/17/47/567861747.db2.gz HJQQCYPTAKTCMU-UHFFFAOYSA-N 1 0 255.789 4.019 50 0 CIAARO CCC[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000010436389 567861887 /nfs/dbraw/zinc/86/18/87/567861887.db2.gz YIRBBGZJQKAUTQ-QGZVFWFLSA-N 1 0 297.398 4.089 50 0 CIAARO CCC[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000010436388 567861898 /nfs/dbraw/zinc/86/18/98/567861898.db2.gz YIRBBGZJQKAUTQ-KRWDZBQOSA-N 1 0 297.398 4.089 50 0 CIAARO Cc1[nH+]c2ccccc2c2c1CCN2c1ccccc1 ZINC000012968459 567864325 /nfs/dbraw/zinc/86/43/25/567864325.db2.gz NXXMZHGWTWRCMQ-UHFFFAOYSA-N 1 0 260.340 4.237 50 0 CIAARO CC[C@H](C)c1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000012984368 567864709 /nfs/dbraw/zinc/86/47/09/567864709.db2.gz OBVNVHPGQBFZSE-GJZGRUSLSA-N 1 0 288.435 4.013 50 0 CIAARO Cc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)s1 ZINC000013717945 567867452 /nfs/dbraw/zinc/86/74/52/567867452.db2.gz HYXCXVPPRMQEJJ-ZDUSSCGKSA-N 1 0 259.418 4.167 50 0 CIAARO CC1=[N+](C)C(C)(C)[C@H](C)c2ccc3ccccc3c21 ZINC000004548120 567869474 /nfs/dbraw/zinc/86/94/74/567869474.db2.gz HYPCVVNHRYGSTR-GFCCVEGCSA-N 1 0 252.381 4.187 50 0 CIAARO Cc1oc(-c2cccs2)nc1C[N@H+]1CCCC[C@H]1C ZINC000015077525 567870275 /nfs/dbraw/zinc/87/02/75/567870275.db2.gz DQCOSIRJDRPUNS-LLVKDONJSA-N 1 0 276.405 4.086 50 0 CIAARO C[N@@H+]1CCC[C@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 ZINC000015071586 567870401 /nfs/dbraw/zinc/87/04/01/567870401.db2.gz JCSVJRNJGQZJFU-INIZCTEOSA-N 1 0 297.373 4.017 50 0 CIAARO Cc1ccc(N[C@H]2CCC[N@@H+](C3CCCC3)C2)cc1C ZINC000015065827 567870416 /nfs/dbraw/zinc/87/04/16/567870416.db2.gz YRSJSLMGGSRJIO-KRWDZBQOSA-N 1 0 272.436 4.122 50 0 CIAARO Cc1cc(NCc2ccccc2F)c2ccccc2[nH+]1 ZINC000032902975 567871206 /nfs/dbraw/zinc/87/12/06/567871206.db2.gz SVNPLCPMILKVSN-UHFFFAOYSA-N 1 0 266.319 4.294 50 0 CIAARO CC[NH+](CC)CCN(C)CCC1=C(C)CCCC1(C)C ZINC000019608692 567877801 /nfs/dbraw/zinc/87/78/01/567877801.db2.gz IYOMPJQOUHKRKY-UHFFFAOYSA-N 1 0 280.500 4.177 50 0 CIAARO C[N@H+](CCc1ccccn1)Cc1ccc(Cl)c(Cl)c1 ZINC000019606617 567877893 /nfs/dbraw/zinc/87/78/93/567877893.db2.gz LZNFAQMNKBRVMV-UHFFFAOYSA-N 1 0 295.213 4.063 50 0 CIAARO FC(F)(F)c1ccccc1CN1CCc2ccccc2C1 ZINC000019536219 567878038 /nfs/dbraw/zinc/87/80/38/567878038.db2.gz NUBNJYYCSCNKNR-UHFFFAOYSA-N 1 0 291.316 4.264 50 0 CIAARO Cc1ccc(OCC[NH2+]Cc2ccccc2Cl)c(C)c1 ZINC000019737599 567878413 /nfs/dbraw/zinc/87/84/13/567878413.db2.gz XLCHQXLHTXLVGW-UHFFFAOYSA-N 1 0 289.806 4.125 50 0 CIAARO Clc1ccccc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000019735183 567878503 /nfs/dbraw/zinc/87/85/03/567878503.db2.gz ZSEPJTGBFYRCMJ-UHFFFAOYSA-N 1 0 284.790 4.154 50 0 CIAARO CC(C)c1ccc(O[C@H](C)C[NH2+]C2CCCCC2)cc1 ZINC000019737923 567878682 /nfs/dbraw/zinc/87/86/82/567878682.db2.gz NFMRTDZTRQIDPV-OAHLLOKOSA-N 1 0 275.436 4.500 50 0 CIAARO C[NH2+]Cc1ccc(Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000019777933 567879084 /nfs/dbraw/zinc/87/90/84/567879084.db2.gz VKGWWNPTPYDSID-UHFFFAOYSA-N 1 0 269.388 4.496 50 0 CIAARO C[C@@H]([NH2+]C1CCCC1)c1cccc(Br)c1 ZINC000019883391 567879484 /nfs/dbraw/zinc/87/94/84/567879484.db2.gz ZWNULXBVGWRADA-SNVBAGLBSA-N 1 0 268.198 4.042 50 0 CIAARO c1ccc([C@@H]2C[NH2+]Cc3c4ccccc4ccc32)cc1 ZINC000019911604 567879621 /nfs/dbraw/zinc/87/96/21/567879621.db2.gz AJTPQUQBGRYBEE-SFHVURJKSA-N 1 0 259.352 4.075 50 0 CIAARO Clc1cccc(C[NH2+]CCc2ccccc2)c1Cl ZINC000020004014 567880411 /nfs/dbraw/zinc/88/04/11/567880411.db2.gz DIBYYCDRDDSXRF-UHFFFAOYSA-N 1 0 280.198 4.326 50 0 CIAARO Cc1ccc([C@H](C)CC[NH2+][C@H](C)CCCC(C)(C)O)o1 ZINC000032590219 567885844 /nfs/dbraw/zinc/88/58/44/567885844.db2.gz SUDNDEWZMLHLED-ZIAGYGMSSA-N 1 0 281.440 4.001 50 0 CIAARO CCCC[NH2+]Cc1cccc(OCc2cccc(C)c2)c1 ZINC000032129474 567885980 /nfs/dbraw/zinc/88/59/80/567885980.db2.gz RYKLAJXOHSSRRB-UHFFFAOYSA-N 1 0 283.415 4.464 50 0 CIAARO C[C@H]([NH3+])c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000032629235 567886389 /nfs/dbraw/zinc/88/63/89/567886389.db2.gz LEJCXBQLLXBVIZ-QMMMGPOBSA-N 1 0 271.307 4.454 50 0 CIAARO c1csc([C@@H]2CCCCC[N@H+]2Cc2ccccn2)c1 ZINC000033087288 567886698 /nfs/dbraw/zinc/88/66/98/567886698.db2.gz WHHQLFPFHUKLPY-HNNXBMFYSA-N 1 0 272.417 4.260 50 0 CIAARO CN(C)c1ccc([PH+](C(C)(C)C)C(C)(C)C)cc1 ZINC000034638584 567888859 /nfs/dbraw/zinc/88/88/59/567888859.db2.gz IQTHEAQKKVAXGV-UHFFFAOYSA-N 1 0 265.381 4.457 50 0 CIAARO C[C@@H]([NH2+]C1CCCC1)c1ccc(Br)s1 ZINC000038001606 567890365 /nfs/dbraw/zinc/89/03/65/567890365.db2.gz BLCDDBWGELDAFU-MRVPVSSYSA-N 1 0 274.227 4.104 50 0 CIAARO CC(C)(C)CC(C)(C)c1ccc(OC[C@@H]2CC[NH2+]C2)cc1 ZINC000042773169 567891544 /nfs/dbraw/zinc/89/15/44/567891544.db2.gz TYNMCSOYRBMRAL-OAHLLOKOSA-N 1 0 289.463 4.389 50 0 CIAARO CC(C)(C)c1ccc(O[C@H]2CC[NH2+]C2)c(C(C)(C)C)c1 ZINC000042774696 567891671 /nfs/dbraw/zinc/89/16/71/567891671.db2.gz RVLIWAXITSBSHD-AWEZNQCLSA-N 1 0 275.436 4.022 50 0 CIAARO c1ccc(-c2ccc(COCCC3CC[NH2+]CC3)cc2)cc1 ZINC000042771985 567891712 /nfs/dbraw/zinc/89/17/12/567891712.db2.gz IHLCLHTXBJGQAP-UHFFFAOYSA-N 1 0 295.426 4.260 50 0 CIAARO CCC(C)(C)c1ccc(OC[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000042771021 567891715 /nfs/dbraw/zinc/89/17/15/567891715.db2.gz WVRRCANOFDMDJX-GFCCVEGCSA-N 1 0 281.827 4.016 50 0 CIAARO CCC(C)(C)c1ccc(O[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775286 567891880 /nfs/dbraw/zinc/89/18/80/567891880.db2.gz BVNQKNYLFIGRBB-ZDUSSCGKSA-N 1 0 281.827 4.158 50 0 CIAARO CCC[NH2+]Cc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000057353138 567894904 /nfs/dbraw/zinc/89/49/04/567894904.db2.gz CQRZWXDEBZCLTH-UHFFFAOYSA-N 1 0 292.426 4.498 50 0 CIAARO CCCn1cc(C[NH2+]CCc2ccccc2)c2ccccc21 ZINC000057353287 567894953 /nfs/dbraw/zinc/89/49/53/567894953.db2.gz DXGPNZOIVAMFOF-UHFFFAOYSA-N 1 0 292.426 4.384 50 0 CIAARO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000058225039 567895825 /nfs/dbraw/zinc/89/58/25/567895825.db2.gz SZBXZILVAAYIGM-OAHLLOKOSA-N 1 0 276.383 4.428 50 0 CIAARO Cc1cccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)no2)c1 ZINC000064667100 567897828 /nfs/dbraw/zinc/89/78/28/567897828.db2.gz MVSSAHBTDPBKJX-KRWDZBQOSA-N 1 0 284.403 4.444 50 0 CIAARO CC(C)c1cc([C@@H]2CCCN2Cc2ccccc2F)on1 ZINC000064667117 567897876 /nfs/dbraw/zinc/89/78/76/567897876.db2.gz PUBRSDXXERNAPE-INIZCTEOSA-N 1 0 288.366 4.274 50 0 CIAARO C[C@H](c1cccc(-c2ccc(F)cc2O)c1)[NH+]1CCCC1 ZINC000065384784 567898512 /nfs/dbraw/zinc/89/85/12/567898512.db2.gz OOYUYSXFWFKERP-CYBMUJFWSA-N 1 0 285.362 4.355 50 0 CIAARO CC[C@@H](c1cccnc1)[N@H+](C)Cc1sccc1C ZINC000065425564 567899307 /nfs/dbraw/zinc/89/93/07/567899307.db2.gz ONWADQQKJOWCHB-AWEZNQCLSA-N 1 0 260.406 4.035 50 0 CIAARO CC[C@H](c1cccnc1)[N@H+](C)Cc1sccc1C ZINC000065425568 567899321 /nfs/dbraw/zinc/89/93/21/567899321.db2.gz ONWADQQKJOWCHB-CQSZACIVSA-N 1 0 260.406 4.035 50 0 CIAARO Cc1ccc(CNc2[nH+]cc(-c3ccccc3)n2C)cc1 ZINC000004678419 567901348 /nfs/dbraw/zinc/90/13/48/567901348.db2.gz HCEOSGVPEMBFQI-UHFFFAOYSA-N 1 0 277.371 4.008 50 0 CIAARO Cn1c(-c2ccccc2)c[nH+]c1NCc1ccc(Cl)cc1 ZINC000004678369 567901523 /nfs/dbraw/zinc/90/15/23/567901523.db2.gz SBARPJOQBDVTRE-UHFFFAOYSA-N 1 0 297.789 4.353 50 0 CIAARO c1ccc2c(c1)[nH]c1c2CC[N@H+]2CC[C@H]3CCCC[C@@H]3[C@@H]12 ZINC000071772040 567902074 /nfs/dbraw/zinc/90/20/74/567902074.db2.gz UVFKPZSECULWBR-TYILLQQXSA-N 1 0 280.415 4.277 50 0 CIAARO Cc1ccc([C@@H]2CCCCC[N@@H+]2CC[C@@H]2CCCO2)o1 ZINC000097105163 567904688 /nfs/dbraw/zinc/90/46/88/567904688.db2.gz IBMHIEHMHANISN-HOTGVXAUSA-N 1 0 277.408 4.074 50 0 CIAARO Clc1ccc(OCCC[NH+]2CCCC2)c2ccccc12 ZINC000023115316 567905713 /nfs/dbraw/zinc/90/57/13/567905713.db2.gz NJXPQWRBDLXFCU-UHFFFAOYSA-N 1 0 289.806 4.358 50 0 CIAARO CC(C)Oc1ccccc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000040731276 567907973 /nfs/dbraw/zinc/90/79/73/567907973.db2.gz DWUBSZFVYACAFW-UHFFFAOYSA-N 1 0 299.458 4.388 50 0 CIAARO Cc1cccc(COc2ccccc2C[NH2+]C(C)(C)C)c1 ZINC000040731360 567908006 /nfs/dbraw/zinc/90/80/06/567908006.db2.gz XWMNLBMDVQXKRN-UHFFFAOYSA-N 1 0 283.415 4.462 50 0 CIAARO CCCC[C@@H](CC)C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000095444342 567908641 /nfs/dbraw/zinc/90/86/41/567908641.db2.gz QXTHAJILGMYHSN-HUUCEWRRSA-N 1 0 263.425 4.046 50 0 CIAARO CO[C@@H](C)c1cccc(-c2cccc3c(N)cc[nH+]c32)c1 ZINC000096165152 567909717 /nfs/dbraw/zinc/90/97/17/567909717.db2.gz ZDIRZIREUAWZPB-LBPRGKRZSA-N 1 0 278.355 4.191 50 0 CIAARO C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccncc2)cc1Cl ZINC000096151013 567909730 /nfs/dbraw/zinc/90/97/30/567909730.db2.gz WWECITFOMJMJMX-CYBMUJFWSA-N 1 0 286.806 4.386 50 0 CIAARO Nc1cc[nH+]cc1-c1ccccc1OCc1cccc(F)c1 ZINC000096166512 567909773 /nfs/dbraw/zinc/90/97/73/567909773.db2.gz FWHLMUSUVPODIV-UHFFFAOYSA-N 1 0 294.329 4.049 50 0 CIAARO Cc1cc2c(ncnc2-c2ccc([C@@H](C)[NH+](C)C)cc2)s1 ZINC000097572182 567911107 /nfs/dbraw/zinc/91/11/07/567911107.db2.gz LOHXZEPEDJPTCU-GFCCVEGCSA-N 1 0 297.427 4.289 50 0 CIAARO Cc1ccccc1-c1cccc(C[N@@H+]2CCC[C@H]2CCO)c1 ZINC000097814945 567911420 /nfs/dbraw/zinc/91/14/20/567911420.db2.gz CQPSZMWGLLKFPO-IBGZPJMESA-N 1 0 295.426 4.009 50 0 CIAARO C/C(Cl)=C\COc1cc(C)nc2c(C)cccc12 ZINC000000345868 567927045 /nfs/dbraw/zinc/92/70/45/567927045.db2.gz IBCHRIMSQDJOIY-YRNVUSSQSA-N 1 0 261.752 4.373 50 0 CIAARO COc1ccccc1C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000000172181 567935317 /nfs/dbraw/zinc/93/53/17/567935317.db2.gz NPKYDDLUMDIRLV-UHFFFAOYSA-N 1 0 295.304 4.004 50 0 CIAARO Clc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004490016 567938355 /nfs/dbraw/zinc/93/83/55/567938355.db2.gz CFOSMORIDGLPMO-UHFFFAOYSA-N 1 0 275.823 4.398 50 0 CIAARO CC1=CC[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3[C@H]2C1 ZINC000102804851 567942076 /nfs/dbraw/zinc/94/20/76/567942076.db2.gz KQDDHWGHKMLCGS-AZOIQLNYSA-N 1 0 278.399 4.053 50 0 CIAARO c1ccc2c(c1)cccc2CSC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000014196653 567942556 /nfs/dbraw/zinc/94/25/56/567942556.db2.gz KSTUIFLQOLGARF-IAGOWNOFSA-N 1 0 296.439 4.343 50 0 CIAARO Clc1ccccc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000016449606 567944550 /nfs/dbraw/zinc/94/45/50/567944550.db2.gz GXKJANGJYBWYKJ-UHFFFAOYSA-N 1 0 275.823 4.254 50 0 CIAARO Clc1ccc([C@@H]2CCC[N@H+](Cc3ccco3)C2)cc1 ZINC000216373746 567947494 /nfs/dbraw/zinc/94/74/94/567947494.db2.gz FQPBPEBXUUSJKR-CQSZACIVSA-N 1 0 275.779 4.313 50 0 CIAARO CCCCn1c[n+](Cc2ccccc2C)c2ccccc21 ZINC000203718753 567947772 /nfs/dbraw/zinc/94/77/72/567947772.db2.gz NGJWUTLGGRQMHY-UHFFFAOYSA-N 1 0 279.407 4.086 50 0 CIAARO COc1ccc2cc(C[NH2+][C@@H](C)c3cccnc3)ccc2c1 ZINC000025365394 567948999 /nfs/dbraw/zinc/94/89/99/567948999.db2.gz QDNQSWFUIOCWDF-AWEZNQCLSA-N 1 0 292.382 4.094 50 0 CIAARO O=C1c2c(ccc3ccccc32)CC[C@@H]1C[NH+]1CCCCC1 ZINC000001610458 567956319 /nfs/dbraw/zinc/95/63/19/567956319.db2.gz ZAPHRZWFDCQFMH-QGZVFWFLSA-N 1 0 293.410 4.071 50 0 CIAARO C[NH2+]Cc1cc(C)c(OCc2ccccc2Cl)c(C)c1 ZINC000037701797 570234094 /nfs/dbraw/zinc/23/40/94/570234094.db2.gz SIFIGOTXLDNVHI-UHFFFAOYSA-N 1 0 289.806 4.255 50 0 CIAARO CCC[N@H+](C/C=C/c1ccccc1OC)Cc1cccnc1 ZINC000055393416 570243181 /nfs/dbraw/zinc/24/31/81/570243181.db2.gz FFBPBZXJLSGERC-JXMROGBWSA-N 1 0 296.414 4.016 50 0 CIAARO CC[C@H](C)c1ccccc1OCCC[NH2+]C(C)(C)C ZINC000003003073 570278669 /nfs/dbraw/zinc/27/86/69/570278669.db2.gz UOXRWBRUGFFCIW-AWEZNQCLSA-N 1 0 263.425 4.357 50 0 CIAARO Fc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000013942696 570285249 /nfs/dbraw/zinc/28/52/49/570285249.db2.gz JOFAZRBCWMVREE-UHFFFAOYSA-N 1 0 283.390 4.280 50 0 CIAARO Cc1[nH]c2c(cccc2C[NH+]2CCC(F)(F)CC2)c1C ZINC000216155242 570305246 /nfs/dbraw/zinc/30/52/46/570305246.db2.gz NQCMAUUTMFYQIQ-UHFFFAOYSA-N 1 0 278.346 4.016 50 0 CIAARO CC[NH2+]Cc1ccc(OCc2ccccc2C)c(OCC)c1 ZINC000033449793 570316064 /nfs/dbraw/zinc/31/60/64/570316064.db2.gz KCGOAFAAVMSQIB-UHFFFAOYSA-N 1 0 299.414 4.082 50 0 CIAARO CCCc1ccc([C@H](OCC[NH+](C)C)c2ccccc2)cc1 ZINC000001999757 570326720 /nfs/dbraw/zinc/32/67/20/570326720.db2.gz GUJASMDPCFJPDI-HXUWFJFHSA-N 1 0 297.442 4.307 50 0 CIAARO Cc1cc(C)c([C@H](OCC[NH+](C)C)c2ccccc2)c(C)c1 ZINC000001999763 570326749 /nfs/dbraw/zinc/32/67/49/570326749.db2.gz CRYYVXVCECPCES-HXUWFJFHSA-N 1 0 297.442 4.279 50 0 CIAARO Cc1ccccc1C[NH2+]C1(c2nccs2)CCCC1 ZINC000116373843 570329439 /nfs/dbraw/zinc/32/94/39/570329439.db2.gz KAYAGWUEAOWDIW-UHFFFAOYSA-N 1 0 272.417 4.011 50 0 CIAARO C[NH2+]C[C@H](CCCc1ccccc1)c1ccccc1 ZINC000088097205 570346537 /nfs/dbraw/zinc/34/65/37/570346537.db2.gz YTXWSXYOEHDQPG-SFHVURJKSA-N 1 0 253.389 4.013 50 0 CIAARO Cc1noc(C)c1C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000075568140 570355657 /nfs/dbraw/zinc/35/56/57/570355657.db2.gz GRZDKMITZRPRQA-GFCCVEGCSA-N 1 0 280.371 4.295 50 0 CIAARO CC(C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000037099243 570362428 /nfs/dbraw/zinc/36/24/28/570362428.db2.gz KJLDBYYMGZQZPD-UHFFFAOYSA-N 1 0 288.435 4.046 50 0 CIAARO Cc1ccc(Cl)c(OCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000002821891 570371417 /nfs/dbraw/zinc/37/14/17/570371417.db2.gz FKSIZFPPTGLMNJ-CQSZACIVSA-N 1 0 281.827 4.149 50 0 CIAARO CCc1cc(OCCCC[NH2+][C@@H](C)CC)ccc1Cl ZINC000002821888 570371423 /nfs/dbraw/zinc/37/14/23/570371423.db2.gz AYZQEYAGLVVIPS-ZDUSSCGKSA-N 1 0 283.843 4.450 50 0 CIAARO C[NH+](C)CC(C)(C)[C@@H]1O[C@@H]2CCCC[C@H]2C2=CCCC[C@@H]21 ZINC000252438229 570374371 /nfs/dbraw/zinc/37/43/71/570374371.db2.gz HCPHZQAJVVJZLU-WNRNVDISSA-N 1 0 291.479 4.258 50 0 CIAARO Cc1ccc(C)c(N2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000004981390 570384950 /nfs/dbraw/zinc/38/49/50/570384950.db2.gz JQCRYKFJQAXIGC-QAPCUYQASA-N 1 0 286.463 4.004 50 0 CIAARO CC1=CC[C@H]2[C@@H]3c4[nH]c5ccccc5c4CC[N@H+]3C[C@H]2C1 ZINC000012658252 570395485 /nfs/dbraw/zinc/39/54/85/570395485.db2.gz GOVTWXUTTQVUJX-PJIJBLCYSA-N 1 0 278.399 4.053 50 0 CIAARO Cc1ccc(OCC[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)c(C)c1 ZINC000002845389 230367499 /nfs/dbraw/zinc/36/74/99/230367499.db2.gz AEZWPUKAYATQGE-USXIJHARSA-N 1 0 275.436 4.097 50 0 CIAARO Cc1cc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)c(=O)[nH]c1C ZINC000426739978 230428207 /nfs/dbraw/zinc/42/82/07/230428207.db2.gz YEQSXOBUHCCTLJ-OAHLLOKOSA-N 1 0 296.414 4.228 50 0 CIAARO Cc1cc([C@H]([NH2+][C@H](C)c2cnn(C)c2)C(C)C)c(C)s1 ZINC000095967911 185046682 /nfs/dbraw/zinc/04/66/82/185046682.db2.gz KCDAPOGIQLMMPT-MLGOLLRUSA-N 1 0 291.464 4.146 50 0 CIAARO CC[C@@H](C)[C@H](C)[NH2+]CCCCOCCc1ccccc1 ZINC000095967351 185046753 /nfs/dbraw/zinc/04/67/53/185046753.db2.gz MHYUWXPGJZIABK-SJORKVTESA-N 1 0 277.452 4.050 50 0 CIAARO Cc1cc([C@@H]([NH2+][C@H](C)c2cnn(C)c2)C(C)C)c(C)s1 ZINC000095967912 185046810 /nfs/dbraw/zinc/04/68/10/185046810.db2.gz KCDAPOGIQLMMPT-WBMJQRKESA-N 1 0 291.464 4.146 50 0 CIAARO CC[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(Cl)s1 ZINC000095983756 185054408 /nfs/dbraw/zinc/05/44/08/185054408.db2.gz SXOLBLVODBOWJO-VWYCJHECSA-N 1 0 273.829 4.010 50 0 CIAARO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H](C)CC(C)C ZINC000097032879 185155914 /nfs/dbraw/zinc/15/59/14/185155914.db2.gz CBZUYFSFRXBGGE-ZIAGYGMSSA-N 1 0 273.424 4.141 50 0 CIAARO CC[C@@H](COC)[NH2+][C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000097017311 529520742 /nfs/dbraw/zinc/52/07/42/529520742.db2.gz DMPLLIQINSAYDM-SWLSCSKDSA-N 1 0 285.378 4.067 50 0 CIAARO C[C@@H](CN1c2ccccc2Sc2ccccc21)C[NH+](C)C ZINC000000000808 136378646 /nfs/dbraw/zinc/37/86/46/136378646.db2.gz ZZHLYYDVIOPZBE-CQSZACIVSA-N 1 0 298.455 4.487 50 0 world CIAARO [NH3+]CCCN1c2ccccc2Sc2ccc(Cl)cc21 ZINC000001673962 136379556 /nfs/dbraw/zinc/37/95/56/136379556.db2.gz ZTQZBABFEUDZFE-UHFFFAOYSA-N 1 0 290.819 4.292 50 0 world CIAARO Fc1c(Br)cccc1C[NH2+]C1CCCCC1 ZINC000085476965 179079342 /nfs/dbraw/zinc/07/93/42/179079342.db2.gz IFEOMKOVFBMILG-UHFFFAOYSA-N 1 0 286.188 4.011 50 0 CIAARO CC[n+]1c(C=CNc2ccccc2)ccc2ccccc21 ZINC000100068876 185704228 /nfs/dbraw/zinc/70/42/28/185704228.db2.gz BZDWOBHQLUEXSC-UHFFFAOYSA-O 1 0 275.375 4.230 50 0 CIAARO C[C@@H]([NH2+]Cc1cc[nH]c1)c1ccc2ccccc2c1 ZINC000086249443 179255276 /nfs/dbraw/zinc/25/52/76/179255276.db2.gz HUFRCXDSULZOFQ-CYBMUJFWSA-N 1 0 250.345 4.019 50 0 CIAARO [NH3+]Cc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1 ZINC000104415098 185994098 /nfs/dbraw/zinc/99/40/98/185994098.db2.gz NOWLHDKBZHCXTD-UHFFFAOYSA-N 1 0 286.133 4.384 50 0 CIAARO CCCCn1c[n+](Cc2cccc(C)c2)c2ccccc21 ZINC000252489560 189976464 /nfs/dbraw/zinc/97/64/64/189976464.db2.gz JTHLGMYFVZSEQC-UHFFFAOYSA-N 1 0 279.407 4.086 50 0 CIAARO C[NH+](C)CCCn1c2ccccc2c2c1CCCCCC2 ZINC000000001576 169503108 /nfs/dbraw/zinc/50/31/08/169503108.db2.gz PLIGPBGDXASWPX-UHFFFAOYSA-N 1 0 284.447 4.252 50 0 in-man CIAARO C[NH+](C)CC(C)(C)[C@@H]1O[C@H]2CCCC[C@@H]2C2=CCCC[C@H]21 ZINC000004027059 184529332 /nfs/dbraw/zinc/52/93/32/184529332.db2.gz HCPHZQAJVVJZLU-ZJPYXAASSA-N 1 0 291.479 4.258 50 0 CIAARO CCCC[NH2+]Cc1ccc(OC(C)C)c(Cl)c1 ZINC000040731040 184547585 /nfs/dbraw/zinc/54/75/85/184547585.db2.gz LPSKWKCOFGROKN-UHFFFAOYSA-N 1 0 255.789 4.017 50 0 CIAARO c1ccc(C[NH2+]C[C@H]2C[C@@]23CCCc2ccccc23)cc1 ZINC000521398170 256853376 /nfs/dbraw/zinc/85/33/76/256853376.db2.gz RFBRUKMQSQFPMV-QUCCMNQESA-N 1 0 277.411 4.070 50 0 CIAARO CC[C@H](C)[NH2+]CCCCOc1ccccc1C(C)C ZINC000002823305 256857157 /nfs/dbraw/zinc/85/71/57/256857157.db2.gz HUOYGPZDIOOWNE-HNNXBMFYSA-N 1 0 263.425 4.357 50 0 CIAARO C/C=C/c1ccc(OCCCC[NH2+][C@@H](C)CC)c(OC)c1 ZINC000002823856 256857713 /nfs/dbraw/zinc/85/77/13/256857713.db2.gz IFURMBDRYANMMH-BOSPYUDASA-N 1 0 291.435 4.275 50 0 CIAARO CC[C@H](C)[NH2+]CCCCOc1cc(C)ccc1Cl ZINC000002823525 256857720 /nfs/dbraw/zinc/85/77/20/256857720.db2.gz NOFPQSNGQJPQOB-ZDUSSCGKSA-N 1 0 269.816 4.196 50 0 CIAARO C[NH2+][C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000008698404 260032335 /nfs/dbraw/zinc/03/23/35/260032335.db2.gz ZHIAARPZLAPMHX-ZCFIWIBFSA-N 1 0 271.204 4.005 50 0 CIAARO CC1CCC([NH+]2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000000221767 134523475 /nfs/dbraw/zinc/52/34/75/134523475.db2.gz OJBURJRELPTSAT-UHFFFAOYSA-N 1 0 292.854 4.041 50 0 CIAARO Cc1cccc(OCCCCC[NH+]2CCCCC2)c1C ZINC000002493581 169795269 /nfs/dbraw/zinc/79/52/69/169795269.db2.gz YAEVKCFBBUMXBD-UHFFFAOYSA-N 1 0 275.436 4.338 50 0 CIAARO CC[C@@H](C)[NH2+]CCCOc1ccc(C(C)C)c(C)c1 ZINC000002823551 169834645 /nfs/dbraw/zinc/83/46/45/169834645.db2.gz HFFXQGMMPKMNAJ-OAHLLOKOSA-N 1 0 263.425 4.275 50 0 CIAARO C[C@H]1C[C@H](C)C[NH+](CCCOc2ccc(Cl)cc2)C1 ZINC000002823955 169834733 /nfs/dbraw/zinc/83/47/33/169834733.db2.gz DMLMMQSUZIUEOW-KBPBESRZSA-N 1 0 281.827 4.087 50 0 CIAARO CCCOc1ccc(OCCCC[NH2+][C@H](C)CC)cc1 ZINC000002823919 169834819 /nfs/dbraw/zinc/83/48/19/169834819.db2.gz OTFVPWWHBOFPAS-OAHLLOKOSA-N 1 0 279.424 4.023 50 0 CIAARO CC(C)c1ccc(OCCCC[NH+]2CCCC2)cc1 ZINC000003633614 169904792 /nfs/dbraw/zinc/90/47/92/169904792.db2.gz OYDQOQKIZCGTFO-UHFFFAOYSA-N 1 0 261.409 4.065 50 0 CIAARO Cc1ccsc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000004475601 169970260 /nfs/dbraw/zinc/97/02/60/169970260.db2.gz WERGVEYVWKYKBF-UHFFFAOYSA-N 1 0 261.434 4.115 50 0 CIAARO CC[C@@H](C)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000004845221 170029393 /nfs/dbraw/zinc/02/93/93/170029393.db2.gz RWLGZTVMQHHOPK-OAHLLOKOSA-N 1 0 261.409 4.065 50 0 CIAARO CCOc1ccc(C[NH2+]C2CCCCCCC2)cc1OC ZINC000004868760 170034177 /nfs/dbraw/zinc/03/41/77/170034177.db2.gz JXPNMZDMFHUSTD-UHFFFAOYSA-N 1 0 291.435 4.296 50 0 CIAARO Clc1ccc(-c2ccc(C[NH2+]Cc3ccncc3)o2)cc1 ZINC000004942882 170042949 /nfs/dbraw/zinc/04/29/49/170042949.db2.gz VEMPTNUXYLRLAR-UHFFFAOYSA-N 1 0 298.773 4.285 50 0 CIAARO C[C@H](O)c1ccc(-c2ccc(C[NH2+]C3CCCCC3)o2)cc1 ZINC000004942981 170043499 /nfs/dbraw/zinc/04/34/99/170043499.db2.gz XYUDIGTVULNWDH-AWEZNQCLSA-N 1 0 299.414 4.422 50 0 CIAARO CCC[NH2+]Cc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000004942947 170043665 /nfs/dbraw/zinc/04/36/65/170043665.db2.gz AWGQKFWPLBIQHY-UHFFFAOYSA-N 1 0 279.767 4.108 50 0 CIAARO c1ccc2cc(OCCCCC[NH+]3CCCC3)ccc2c1 ZINC000004951637 170044821 /nfs/dbraw/zinc/04/48/21/170044821.db2.gz IWMKMYSEPKBDGO-UHFFFAOYSA-N 1 0 283.415 4.485 50 0 CIAARO C[C@H]([NH2+]C1CCCCC1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004964736 170046027 /nfs/dbraw/zinc/04/60/27/170046027.db2.gz ICFHFDNFOBQNTR-IWUURBKTSA-N 1 0 289.463 4.083 50 0 CIAARO C[N@H+](CCOc1cccc2ccccc21)C1CCCCC1 ZINC000004978710 170048023 /nfs/dbraw/zinc/04/80/23/170048023.db2.gz RNGQIOHZUKHUDN-UHFFFAOYSA-N 1 0 283.415 4.483 50 0 CIAARO Clc1cccc(C[NH+]2CCCCCC2)c1Cl ZINC000004990215 170050886 /nfs/dbraw/zinc/05/08/86/170050886.db2.gz SUNNFNXTVDTAKW-UHFFFAOYSA-N 1 0 258.192 4.369 50 0 CIAARO Cc1cc(Cl)cc(Cl)c1OCCC[NH2+]C(C)(C)C ZINC000005023736 170057147 /nfs/dbraw/zinc/05/71/47/170057147.db2.gz JNVHKZNIAIVRIM-UHFFFAOYSA-N 1 0 290.234 4.459 50 0 CIAARO Cc1ccccc1O[C@@H](C)CC[C@H](C)[NH+]1CCCCC1 ZINC000005024292 170057251 /nfs/dbraw/zinc/05/72/51/170057251.db2.gz JKCBNKAMCPUOFC-IRXDYDNUSA-N 1 0 275.436 4.417 50 0 CIAARO CC(C)C[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000005817297 170143117 /nfs/dbraw/zinc/14/31/17/170143117.db2.gz UNBMHQIKDFTXLU-UHFFFAOYSA-N 1 0 287.378 4.150 50 0 CIAARO COc1ccc2[nH+]c(C)cc(Nc3cccc(O)c3)c2c1 ZINC000006626115 170219740 /nfs/dbraw/zinc/21/97/40/170219740.db2.gz UPYOCTHZNIUVDK-UHFFFAOYSA-N 1 0 280.327 4.001 50 0 CIAARO COCCC[NH2+]CC[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000006669901 170224562 /nfs/dbraw/zinc/22/45/62/170224562.db2.gz JCINOGRXUBAXQF-MRXNPFEDSA-N 1 0 283.843 4.096 50 0 CIAARO Clc1ccccc1COc1ccc(C[NH2+]C2CC2)cc1 ZINC000006703616 170230593 /nfs/dbraw/zinc/23/05/93/170230593.db2.gz RXAOQJHOVZHXDH-UHFFFAOYSA-N 1 0 287.790 4.171 50 0 CIAARO CC(C)Oc1ccc([C@H](CC[NH3+])C2CCCCC2)cc1 ZINC000006814287 170245861 /nfs/dbraw/zinc/24/58/61/170245861.db2.gz TVPLXFFKIHRXIQ-GOSISDBHSA-N 1 0 275.436 4.487 50 0 CIAARO COc1ccc(-c2ccc(C[NH2+]CC(C)C)o2)cc1Cl ZINC000006883622 170252722 /nfs/dbraw/zinc/25/27/22/170252722.db2.gz MJIJONSPCCCHKQ-UHFFFAOYSA-N 1 0 293.794 4.354 50 0 CIAARO COc1ccc(Cl)cc1C[NH2+]C1CCCCCC1 ZINC000007524148 170288979 /nfs/dbraw/zinc/28/89/79/170288979.db2.gz VLRWBYOKTXYORV-UHFFFAOYSA-N 1 0 267.800 4.161 50 0 CIAARO Cc1ccc2c(=O)c(C[NH+]3CCCCCC3)c(C)[nH]c2c1C ZINC000008714130 170348472 /nfs/dbraw/zinc/34/84/72/170348472.db2.gz FSTWYAXJPYDRBV-UHFFFAOYSA-N 1 0 298.430 4.242 50 0 CIAARO CCc1ccc2[nH]c(C)c(C[N@@H+]3CCCC[C@H]3C)c(=O)c2c1 ZINC000008714147 170348621 /nfs/dbraw/zinc/34/86/21/170348621.db2.gz FYLWPXQLUDPAKD-CYBMUJFWSA-N 1 0 298.430 4.186 50 0 CIAARO Cc1ccc2c(=O)c(C[N@H+]3CCCC[C@H]3C)c(C)[nH]c2c1C ZINC000009601773 170382427 /nfs/dbraw/zinc/38/24/27/170382427.db2.gz LCJVDOPYRSAAHW-CYBMUJFWSA-N 1 0 298.430 4.240 50 0 CIAARO C[NH2+]Cc1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000012370270 170480308 /nfs/dbraw/zinc/48/03/08/170480308.db2.gz DXDWGXWYNMWYJI-UHFFFAOYSA-N 1 0 280.396 4.197 50 0 CIAARO Cc1ccccc1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000013718236 170581360 /nfs/dbraw/zinc/58/13/60/170581360.db2.gz VVMIIVCLNBHADC-INIZCTEOSA-N 1 0 253.389 4.106 50 0 CIAARO CCCCOCCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC000013718280 170581617 /nfs/dbraw/zinc/58/16/17/170581617.db2.gz PLKXEWFBJUJHDA-UHFFFAOYSA-N 1 0 263.425 4.106 50 0 CIAARO CCOc1ccc2ccccc2c1C[NH2+]CCC(C)C ZINC000013724337 170582067 /nfs/dbraw/zinc/58/20/67/170582067.db2.gz JSLAODNYCBDZIG-UHFFFAOYSA-N 1 0 271.404 4.374 50 0 CIAARO CC(C)[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000013807959 170596299 /nfs/dbraw/zinc/59/62/99/170596299.db2.gz RWIXNVDHAXLOKN-UHFFFAOYSA-N 1 0 278.399 4.188 50 0 CIAARO CC(C)(c1ccccc1)c1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC000014631749 170640530 /nfs/dbraw/zinc/64/05/30/170640530.db2.gz NABYPWVYDRNGGY-IBGZPJMESA-N 1 0 295.426 4.143 50 0 CIAARO C[NH2+][C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000016082640 170686800 /nfs/dbraw/zinc/68/68/00/170686800.db2.gz ZHIAARPZLAPMHX-LURJTMIESA-N 1 0 271.204 4.005 50 0 CIAARO Cc1cc(C)cc(OCC[NH2+][C@H](C)c2ccccc2)c1 ZINC000019737849 170850905 /nfs/dbraw/zinc/85/09/05/170850905.db2.gz XZFHCAJZWLGQRA-MRXNPFEDSA-N 1 0 269.388 4.033 50 0 CIAARO Clc1ccc(OCC[NH2+]C2CCCCC2)c(Cl)c1 ZINC000019737915 170850997 /nfs/dbraw/zinc/85/09/97/170850997.db2.gz HOJPVRDAOSJEHF-UHFFFAOYSA-N 1 0 288.218 4.295 50 0 CIAARO Brc1ccc(C[NH2+]C2CCCCCC2)s1 ZINC000020122656 171003414 /nfs/dbraw/zinc/00/34/14/171003414.db2.gz NBVYSBQUIBNCOG-UHFFFAOYSA-N 1 0 288.254 4.323 50 0 CIAARO C[C@H]([NH2+]Cc1ccncc1)c1cccc2ccccc21 ZINC000020136830 171024724 /nfs/dbraw/zinc/02/47/24/171024724.db2.gz NKSMAGIFIGLYEB-AWEZNQCLSA-N 1 0 262.356 4.086 50 0 CIAARO Cc1cc(OCC[C@H]2CCCC[NH2+]2)ccc1C(C)C ZINC000020221532 171082828 /nfs/dbraw/zinc/08/28/28/171082828.db2.gz ITWYCQSZIXXIFF-OAHLLOKOSA-N 1 0 261.409 4.029 50 0 CIAARO Clc1ccccc1-c1ccc(C[NH2+]C2CC2)s1 ZINC000020282350 171132941 /nfs/dbraw/zinc/13/29/41/171132941.db2.gz UHOOQOZQBKDENE-UHFFFAOYSA-N 1 0 263.793 4.321 50 0 CIAARO Cc1cc([C@H](C)[NH2+]Cc2cccc(F)c2)c(C)s1 ZINC000020473276 171216579 /nfs/dbraw/zinc/21/65/79/171216579.db2.gz LYMMQMFBIOQMEO-NSHDSACASA-N 1 0 263.381 4.355 50 0 CIAARO CCOc1ccc(C[NH2+]CCc2ccccc2)cc1Cl ZINC000020476683 171220779 /nfs/dbraw/zinc/22/07/79/171220779.db2.gz WPJDNFGQJNXKEK-UHFFFAOYSA-N 1 0 289.806 4.071 50 0 CIAARO C[C@@H](C[NH2+]Cc1ccccc1Cl)c1ccccc1 ZINC000020476671 171220856 /nfs/dbraw/zinc/22/08/56/171220856.db2.gz NFKSXHPRNHOURZ-ZDUSSCGKSA-N 1 0 259.780 4.233 50 0 CIAARO CC(C)[C@@H](C)[NH2+][C@H](C)c1cccc(Br)c1 ZINC000020523301 171236019 /nfs/dbraw/zinc/23/60/19/171236019.db2.gz HMHOSIVUHLORTE-GHMZBOCLSA-N 1 0 270.214 4.144 50 0 CIAARO C[N@H+](CCc1ccc(-c2ccccc2)cc1)C1CCOCC1 ZINC000020601646 171266554 /nfs/dbraw/zinc/26/65/54/171266554.db2.gz PYFABJSWRSQEBX-UHFFFAOYSA-N 1 0 295.426 4.007 50 0 CIAARO CCC[NH2+]Cc1ccccc1OCc1ccc(C)cc1 ZINC000020873614 171277251 /nfs/dbraw/zinc/27/72/51/171277251.db2.gz CUZKZHPOQJNQNB-UHFFFAOYSA-N 1 0 269.388 4.074 50 0 CIAARO Cc1ccc(COc2ccc(C[NH2+]CC(C)C)cc2)cc1 ZINC000020873731 171277513 /nfs/dbraw/zinc/27/75/13/171277513.db2.gz JTIORGXDOSVTGV-UHFFFAOYSA-N 1 0 283.415 4.320 50 0 CIAARO CCCOc1cccc(C[NH2+]C2CCCCCC2)c1 ZINC000020924977 171279745 /nfs/dbraw/zinc/27/97/45/171279745.db2.gz DAUZUBPKTQUJEP-UHFFFAOYSA-N 1 0 261.409 4.288 50 0 CIAARO CCCOc1ccc(Cl)cc1C[NH2+]C(C)(C)C ZINC000020928690 171280234 /nfs/dbraw/zinc/28/02/34/171280234.db2.gz QYXXCWNQKGTMAB-UHFFFAOYSA-N 1 0 255.789 4.017 50 0 CIAARO CCCOc1ccc(C[NH2+][C@@H](C)CC)cc1Cl ZINC000020925536 171280306 /nfs/dbraw/zinc/28/03/06/171280306.db2.gz RZKXOLRABYNBPK-NSHDSACASA-N 1 0 255.789 4.017 50 0 CIAARO CCCOc1ccc(C[NH2+][C@H](C)CC)cc1Cl ZINC000020925540 171280548 /nfs/dbraw/zinc/28/05/48/171280548.db2.gz RZKXOLRABYNBPK-LLVKDONJSA-N 1 0 255.789 4.017 50 0 CIAARO CCCOc1ccc(C[NH2+]Cc2ccco2)cc1Cl ZINC000020925634 171280665 /nfs/dbraw/zinc/28/06/65/171280665.db2.gz GCJMLBRKKACJKN-UHFFFAOYSA-N 1 0 279.767 4.012 50 0 CIAARO CCCOc1ccc2ccccc2c1C[NH2+]CC(C)C ZINC000020930620 171280848 /nfs/dbraw/zinc/28/08/48/171280848.db2.gz SLMDWVSHWLABCG-UHFFFAOYSA-N 1 0 271.404 4.374 50 0 CIAARO CCCOc1ccc(Cl)cc1C[NH2+]C(C)(C)CC ZINC000020929081 171280995 /nfs/dbraw/zinc/28/09/95/171280995.db2.gz STRCQGCMGJNWNT-UHFFFAOYSA-N 1 0 269.816 4.407 50 0 CIAARO CCCOc1c(Cl)cc(C[NH2+]C2CCCC2)cc1OC ZINC000020931408 171281169 /nfs/dbraw/zinc/28/11/69/171281169.db2.gz KXLRXLAIMRGFLD-UHFFFAOYSA-N 1 0 297.826 4.170 50 0 CIAARO CCn1cc(C[NH2+]CCc2ccccc2F)c2ccccc21 ZINC000020935145 171281498 /nfs/dbraw/zinc/28/14/98/171281498.db2.gz UTQSEYHFZMUGSB-UHFFFAOYSA-N 1 0 296.389 4.133 50 0 CIAARO Cc1cccc(C[NH2+]Cc2ccc3ccccc3c2)c1 ZINC000021060577 171296686 /nfs/dbraw/zinc/29/66/86/171296686.db2.gz RSVJOJXSACALAX-UHFFFAOYSA-N 1 0 261.368 4.438 50 0 CIAARO CSc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1 ZINC000021164259 171298865 /nfs/dbraw/zinc/29/88/65/171298865.db2.gz SQTZHFYGEYJNHL-QGZVFWFLSA-N 1 0 294.423 4.125 50 0 CIAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(CC)cc1 ZINC000021720918 171320371 /nfs/dbraw/zinc/32/03/71/171320371.db2.gz WZBCRVYCJTYWTH-KRWDZBQOSA-N 1 0 298.430 4.445 50 0 CIAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000021720938 171320592 /nfs/dbraw/zinc/32/05/92/171320592.db2.gz BMAQODCFOXMGAJ-OAHLLOKOSA-N 1 0 288.366 4.022 50 0 CIAARO Cc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)o1 ZINC000021786782 171322568 /nfs/dbraw/zinc/32/25/68/171322568.db2.gz FNDWEXZPLXMRPQ-UHFFFAOYSA-N 1 0 284.186 4.227 50 0 CIAARO CC[NH+](CC)CCN(C)Cc1ccc(-c2ccccc2)cc1 ZINC000022586785 171393333 /nfs/dbraw/zinc/39/33/33/171393333.db2.gz RDUXNAZBFXJQDX-UHFFFAOYSA-N 1 0 296.458 4.127 50 0 CIAARO CC[NH2+]Cc1ccc(OCc2cccc(C)c2)c(OCC)c1 ZINC000033449798 171803762 /nfs/dbraw/zinc/80/37/62/171803762.db2.gz ZBRCVMSYLCTDJJ-UHFFFAOYSA-N 1 0 299.414 4.082 50 0 CIAARO C[C@H]([NH2+]C1CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000037183794 173015769 /nfs/dbraw/zinc/01/57/69/173015769.db2.gz MRWWNBFIDRRQMD-LURJTMIESA-N 1 0 264.583 4.460 50 0 CIAARO CCCC[N@@H+]1CCCn2cccc2[C@@H]1c1ccccc1F ZINC000037522929 173250394 /nfs/dbraw/zinc/25/03/94/173250394.db2.gz SXTMGUKFPYGXFT-SFHVURJKSA-N 1 0 286.394 4.222 50 0 CIAARO Cc1ccccc1C1=CC[N@H+](Cc2ccccc2)CC1 ZINC000038351973 174141057 /nfs/dbraw/zinc/14/10/57/174141057.db2.gz NSIHGCRTVSGGDH-UHFFFAOYSA-N 1 0 263.384 4.284 50 0 CIAARO CCCCCC[NH2+]Cc1cc(Cl)cc(OC)c1OC ZINC000040722121 174385246 /nfs/dbraw/zinc/38/52/46/174385246.db2.gz ZVIFQFUCJJZAEI-UHFFFAOYSA-N 1 0 285.815 4.027 50 0 CIAARO CCOc1cc(C[NH2+]CCC(C)C)ccc1OC(C)C ZINC000040728803 174388084 /nfs/dbraw/zinc/38/80/84/174388084.db2.gz BZDKUGGBLRQERQ-UHFFFAOYSA-N 1 0 279.424 4.008 50 0 CIAARO Clc1cc(Cl)c(OC[C@@H]2CC[NH2+]C2)c2ccccc12 ZINC000042770321 174870496 /nfs/dbraw/zinc/87/04/96/174870496.db2.gz GIBOYFXTUAYLFN-SNVBAGLBSA-N 1 0 296.197 4.135 50 0 CIAARO Clc1ccc(OCC[C@@H]2CCCC[NH2+]2)c2ccccc12 ZINC000042773350 174872639 /nfs/dbraw/zinc/87/26/39/174872639.db2.gz XDQVRPXTDASMHO-ZDUSSCGKSA-N 1 0 289.806 4.404 50 0 CIAARO C[n+]1cccc2c1CC2=C(c1ccccc1)c1ccccc1 ZINC000045070137 175300532 /nfs/dbraw/zinc/30/05/32/175300532.db2.gz NTRLITHCDZDTNI-UHFFFAOYSA-N 1 0 284.382 4.026 50 0 CIAARO Cn1cc(C[NH2+]C(C)(C)CC(C)(C)C)c2ccccc21 ZINC000045945035 175387158 /nfs/dbraw/zinc/38/71/58/175387158.db2.gz LPTBMMFEPOEKJD-UHFFFAOYSA-N 1 0 272.436 4.483 50 0 CIAARO Cn1cc(C[NH2+]C2CCCCCCC2)c2ccccc21 ZINC000045945037 175387312 /nfs/dbraw/zinc/38/73/12/175387312.db2.gz RSOHHHYCQRNLJI-UHFFFAOYSA-N 1 0 270.420 4.381 50 0 CIAARO CC(C)n1cc(C[NH2+]C2CCCC2)c2ccccc21 ZINC000045945098 175387353 /nfs/dbraw/zinc/38/73/53/175387353.db2.gz JOMBCFLISXVPBB-UHFFFAOYSA-N 1 0 256.393 4.254 50 0 CIAARO CCn1cc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)c(C)n1 ZINC000065470732 175741184 /nfs/dbraw/zinc/74/11/84/175741184.db2.gz RBFINNCHFZDYBZ-MRXNPFEDSA-N 1 0 297.446 4.425 50 0 CIAARO Cc1noc(C)c1C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000072150980 176326621 /nfs/dbraw/zinc/32/66/21/176326621.db2.gz MONAYQMDVYPVKF-QGZVFWFLSA-N 1 0 288.366 4.158 50 0 CIAARO C[NH2+]CC[C@H](c1cccs1)c1c(O)ccc2ccccc21 ZINC000077302573 177250872 /nfs/dbraw/zinc/25/08/72/177250872.db2.gz VSBHSOHJAQPAOS-OAHLLOKOSA-N 1 0 297.423 4.348 50 0 in-vitro CIAARO CC(C)CC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816064 260230666 /nfs/dbraw/zinc/23/06/66/260230666.db2.gz QNQJWHNMTCJUEM-INIZCTEOSA-N 1 0 256.393 4.181 50 0 CIAARO c1ccc(CN2CCC([NH2+]CCC3=CCCCC3)CC2)cc1 ZINC000023282741 266023854 /nfs/dbraw/zinc/02/38/54/266023854.db2.gz SIXXCTUHKWPZOV-UHFFFAOYSA-N 1 0 298.474 4.131 50 0 CIAARO Cc1cc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cs1 ZINC000534649835 328344141 /nfs/dbraw/zinc/34/41/41/328344141.db2.gz IIPBLSMASNJLNW-CQSZACIVSA-N 1 0 287.428 4.117 50 0 CIAARO CC(C)Cc1ccc([C@H]([NH2+]Cc2cn[nH]c2)C(C)C)cc1 ZINC000225526166 517433914 /nfs/dbraw/zinc/43/39/14/517433914.db2.gz RHCPBCXNJVWAKU-GOSISDBHSA-N 1 0 285.435 4.095 50 0 CIAARO Clc1ccc(COc2ccccc2C[NH2+]C2CC2)cc1 ZINC000016449607 526950831 /nfs/dbraw/zinc/95/08/31/526950831.db2.gz NHZCTVHPBNHZLO-UHFFFAOYSA-N 1 0 287.790 4.171 50 0 CIAARO CC(C)c1ccc(Nc2[nH]c3ccccc3[nH+]2)cc1 ZINC000000513043 528117634 /nfs/dbraw/zinc/11/76/34/528117634.db2.gz AWWPEZUTCHDUPP-UHFFFAOYSA-N 1 0 251.333 4.430 50 0 CIAARO CC[C@@H]([NH2+][C@@H](CC)c1ccncc1)c1ccc2c(c1)CCO2 ZINC000096478345 529201094 /nfs/dbraw/zinc/20/10/94/529201094.db2.gz OQXKBJLZNSTGCZ-ZWKOTPCHSA-N 1 0 296.414 4.209 50 0 CIAARO CC[C@@H]([NH2+][C@@H](CC)c1ccc2c(c1)CCO2)c1ccncc1 ZINC000096478343 529201424 /nfs/dbraw/zinc/20/14/24/529201424.db2.gz OQXKBJLZNSTGCZ-MSOLQXFVSA-N 1 0 296.414 4.209 50 0 CIAARO Cc1cc(C(C)(C)C)ccc1OCCCC[NH2+]C(C)C ZINC000003000334 570278356 /nfs/dbraw/zinc/27/83/56/570278356.db2.gz YGDVUALGYWPORC-UHFFFAOYSA-N 1 0 277.452 4.450 50 0 CIAARO c1cn(-c2ccc(C[NH2+]C3CCCCCCC3)cc2)cn1 ZINC000034991133 566841970 /nfs/dbraw/zinc/84/19/70/566841970.db2.gz WURUWQNVXGWSGV-UHFFFAOYSA-N 1 0 283.419 4.075 50 0 CIAARO COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000035015143 566842912 /nfs/dbraw/zinc/84/29/12/566842912.db2.gz QKHGLSBTEYKATR-HUUCEWRRSA-N 1 0 259.393 4.011 50 0 CIAARO C[NH+](C)CC(C)(C)[C@@H]1O[C@H]2CCCC[C@H]2C2=CCCC[C@H]21 ZINC000004027057 566856243 /nfs/dbraw/zinc/85/62/43/566856243.db2.gz HCPHZQAJVVJZLU-XWTMOSNGSA-N 1 0 291.479 4.258 50 0 CIAARO CC[NH2+]Cc1cccc(OCc2cccc(Cl)c2)c1 ZINC000033440698 566890882 /nfs/dbraw/zinc/89/08/82/566890882.db2.gz MBSOQJIMAODZTE-UHFFFAOYSA-N 1 0 275.779 4.029 50 0 CIAARO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000248061755 566906100 /nfs/dbraw/zinc/90/61/00/566906100.db2.gz DDUUBOPACZXWGO-LUXYFRNMSA-N 1 0 275.436 4.128 50 0 CIAARO CC[C@@H](C)[C@@H](C(=O)OCC[NH+](CC)CC)C1CCCCC1 ZINC000071782918 566917215 /nfs/dbraw/zinc/91/72/15/566917215.db2.gz PARCBWBZNBESCI-NVXWUHKLSA-N 1 0 297.483 4.114 50 0 CIAARO Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000015837303 566921424 /nfs/dbraw/zinc/92/14/24/566921424.db2.gz WERCJBNQDWXNRP-SFHVURJKSA-N 1 0 269.363 4.471 50 0 CIAARO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000015837318 566921858 /nfs/dbraw/zinc/92/18/58/566921858.db2.gz AVMANKAHAXSFII-SFHVURJKSA-N 1 0 285.362 4.171 50 0 CIAARO CC(C)CCC[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000037996837 567002192 /nfs/dbraw/zinc/00/21/92/567002192.db2.gz FXEXYVLBKGQFDM-UHFFFAOYSA-N 1 0 277.380 4.261 50 0 CIAARO C[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)[C@@]1(C)O ZINC000245232149 566968937 /nfs/dbraw/zinc/96/89/37/566968937.db2.gz PPULLACTYCCYOK-QHYPWWSFSA-N 1 0 295.426 4.095 50 0 CIAARO C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1cccs1 ZINC000191853738 566970098 /nfs/dbraw/zinc/97/00/98/566970098.db2.gz WGKRCOQMOVDGJU-QRTARXTBSA-N 1 0 287.428 4.177 50 0 CIAARO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1ccsc1 ZINC000089558970 566984198 /nfs/dbraw/zinc/98/41/98/566984198.db2.gz RQFXHJKGIIEDCL-JTQLQIEISA-N 1 0 280.462 4.487 50 0 CIAARO C[C@H]([NH2+]Cc1ccc2ccccc2c1)c1cccc(O)c1 ZINC000037150870 567011988 /nfs/dbraw/zinc/01/19/88/567011988.db2.gz MGMONUFDNOOUIS-AWEZNQCLSA-N 1 0 277.367 4.396 50 0 CIAARO Cc1n[nH]cc1CCC[NH2+][C@H]1CCCCC12CCCCC2 ZINC000170595341 567012511 /nfs/dbraw/zinc/01/25/11/567012511.db2.gz FTASIJHVWXIRHK-KRWDZBQOSA-N 1 0 289.467 4.133 50 0 CIAARO C[C@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1ccccc1Cl ZINC000170604726 567014046 /nfs/dbraw/zinc/01/40/46/567014046.db2.gz PLZAKIAGEDLMDV-KBPBESRZSA-N 1 0 293.838 4.482 50 0 CIAARO COc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)cc1F ZINC000089904690 567029822 /nfs/dbraw/zinc/02/98/22/567029822.db2.gz SKVZOZOOTZKTAW-RRQGHBQHSA-N 1 0 299.389 4.289 50 0 CIAARO Cc1cc([C@@H]([NH2+][C@@H](C)c2ccccn2)C2CC2)ccc1F ZINC000271464518 567033623 /nfs/dbraw/zinc/03/36/23/567033623.db2.gz HTFGZOGLNNGATC-UGSOOPFHSA-N 1 0 284.378 4.331 50 0 CIAARO C[NH+](C)CCCCOc1ccccc1-c1ccccc1 ZINC000002822779 567037292 /nfs/dbraw/zinc/03/72/92/567037292.db2.gz KNTZMAYDEMUNCX-UHFFFAOYSA-N 1 0 269.388 4.074 50 0 CIAARO C[N@H+](CCCCOc1ccc(F)cc1)Cc1ccccc1 ZINC000002822577 567037344 /nfs/dbraw/zinc/03/73/44/567037344.db2.gz YJEHOYCLWDENHP-UHFFFAOYSA-N 1 0 287.378 4.117 50 0 CIAARO C[C@H]([NH2+][C@H]1CC2(CCC2)Oc2ccccc21)c1cccnc1 ZINC000095419427 567038241 /nfs/dbraw/zinc/03/82/41/567038241.db2.gz ALHYKSMQCHIZQC-YOEHRIQHSA-N 1 0 294.398 4.179 50 0 CIAARO C[C@@H]([NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)c1ccccn1 ZINC000095419201 567039377 /nfs/dbraw/zinc/03/93/77/567039377.db2.gz HAGLOEOMHFVDDQ-RHSMWYFYSA-N 1 0 294.398 4.179 50 0 CIAARO Fc1ccccc1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000170642021 567044590 /nfs/dbraw/zinc/04/45/90/567044590.db2.gz SULXONMISICCNM-KRWDZBQOSA-N 1 0 269.363 4.033 50 0 CIAARO Cc1[nH]c2cc(C)ccc2c1C(=O)[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000013811252 567087476 /nfs/dbraw/zinc/08/74/76/567087476.db2.gz RDMLYOKFAHPRQE-HIFRSBDPSA-N 1 0 298.430 4.230 50 0 CIAARO C[C@H]([NH2+][C@H]1C[C@H]1c1ccccc1)[C@@H](C)c1ccccc1 ZINC000253427310 567098243 /nfs/dbraw/zinc/09/82/43/567098243.db2.gz DZBJOCMBUKBLIO-PDWMJMLSSA-N 1 0 265.400 4.324 50 0 CIAARO CC(C)=CCC[C@@H](C)[NH2+]CCCc1scnc1C ZINC000019781876 567122775 /nfs/dbraw/zinc/12/27/75/567122775.db2.gz ZHAXVJZHTXLVKM-CYBMUJFWSA-N 1 0 266.454 4.109 50 0 CIAARO CC(C)=CC[NH2+][C@@H](C)c1ccccc1Br ZINC000095464158 567133825 /nfs/dbraw/zinc/13/38/25/567133825.db2.gz CLXPFSCABKTNPP-NSHDSACASA-N 1 0 268.198 4.066 50 0 CIAARO Cc1ccccc1C[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000095462774 567133894 /nfs/dbraw/zinc/13/38/94/567133894.db2.gz OLDHPQYNVADJOX-AWEZNQCLSA-N 1 0 264.372 4.327 50 0 CIAARO COc1ccc2cc([C@H](C)[NH2+][C@@H]3CCO[C@H](C)C3)ccc2c1 ZINC000095459386 567134499 /nfs/dbraw/zinc/13/44/99/567134499.db2.gz KAKZJSMFJAMEHX-QWQRMKEZSA-N 1 0 299.414 4.067 50 0 CIAARO Cc1ccccc1[C@@H](SCC[NH+](C)C)c1ccccc1 ZINC000096026390 567135980 /nfs/dbraw/zinc/13/59/80/567135980.db2.gz SZSBCAFGNOJDRX-SFHVURJKSA-N 1 0 285.456 4.379 50 0 CIAARO C[C@H]1CCC[C@H](C)[NH+]1CCCn1ccc2ccccc21 ZINC000096027398 567139506 /nfs/dbraw/zinc/13/95/06/567139506.db2.gz YNJLFPPZYPOYSU-HOTGVXAUSA-N 1 0 270.420 4.294 50 0 CIAARO CC[C@H]([NH2+][C@H](C)c1sccc1C)c1c(C)nn(C)c1C ZINC000133743906 567181897 /nfs/dbraw/zinc/18/18/97/567181897.db2.gz LXLKCCKKMQIWDC-OCCSQVGLSA-N 1 0 291.464 4.209 50 0 CIAARO CC1=CC[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3[C@@H]2C1 ZINC000004024695 567184053 /nfs/dbraw/zinc/18/40/53/567184053.db2.gz KQDDHWGHKMLCGS-NRXGSXMXSA-N 1 0 278.399 4.053 50 0 CIAARO CC(C)Oc1ccc([C@H](CC[NH3+])Cc2ccccc2)cc1 ZINC000004041501 567185064 /nfs/dbraw/zinc/18/50/64/567185064.db2.gz PWJVIIWTUGCWHL-GOSISDBHSA-N 1 0 283.415 4.149 50 0 CIAARO C[NH+](C)Cc1ccccc1Oc1nccc2ccccc21 ZINC000067894698 567197927 /nfs/dbraw/zinc/19/79/27/567197927.db2.gz MTKMNIBORWGTKL-UHFFFAOYSA-N 1 0 278.355 4.089 50 0 CIAARO CCc1ccc(N[N+](=O)c2ccc(CC)cc2)cc1 ZINC000409415856 567216473 /nfs/dbraw/zinc/21/64/73/567216473.db2.gz LYXGLRMMNUVOIH-UHFFFAOYSA-N 1 0 255.341 4.249 50 0 CIAARO CC(=O)c1ccc(Nc2cc(C)[nH+]c3ccccc23)cc1 ZINC000000083876 567817770 /nfs/dbraw/zinc/81/77/70/567817770.db2.gz UBBKSXXYIVHEHC-UHFFFAOYSA-N 1 0 276.339 4.489 50 0 CIAARO c1ccc(CSC2=[NH+]CCCN2C2CCCCC2)cc1 ZINC000000144914 567820016 /nfs/dbraw/zinc/82/00/16/567820016.db2.gz SFTIGJAQEKSAIZ-UHFFFAOYSA-N 1 0 288.460 4.314 50 0 CIAARO CC(C)c1cccc(C(C)C)c1OCC[NH+]1CCCC1 ZINC000000280620 567824027 /nfs/dbraw/zinc/82/40/27/567824027.db2.gz XWARCJVNTXEDNX-UHFFFAOYSA-N 1 0 275.436 4.408 50 0 CIAARO Cc1ccc(C(C)C)c(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000000311250 567824823 /nfs/dbraw/zinc/82/48/23/567824823.db2.gz JTORNYBQOJZVEB-IRXDYDNUSA-N 1 0 289.463 4.475 50 0 CIAARO CCN(CC)C1=[NH+]C=CC(c2ccccc2)=C[C@H]1SC ZINC000000343270 567825784 /nfs/dbraw/zinc/82/57/84/567825784.db2.gz RCBINDWMUCCWLP-MRXNPFEDSA-N 1 0 286.444 4.069 50 0 CIAARO Fc1ccc(C[NH2+]Cc2cccc3ccccc32)cc1 ZINC000000576387 567834069 /nfs/dbraw/zinc/83/40/69/567834069.db2.gz PPYMONOEIGWYBZ-UHFFFAOYSA-N 1 0 265.331 4.269 50 0 CIAARO Cc1cc[n+]2c(c1)nc(-c1ccccc1)cc2-c1ccccc1 ZINC000001171500 567836535 /nfs/dbraw/zinc/83/65/35/567836535.db2.gz BKLKOEGIFTUGJL-UHFFFAOYSA-N 1 0 297.381 4.463 50 0 CIAARO CCCC[NH2+]CCOc1c(C)cc(Cl)cc1Cl ZINC000002932755 567850517 /nfs/dbraw/zinc/85/05/17/567850517.db2.gz RISOTCZWLQZUNP-UHFFFAOYSA-N 1 0 276.207 4.070 50 0 CIAARO O[C@@H](c1ccccc1)[C@H]([NH2+]C1CCCCC1)c1ccccc1 ZINC000001669472 567840748 /nfs/dbraw/zinc/84/07/48/567840748.db2.gz AUJFQSIAONFRDP-UXHICEINSA-N 1 0 295.426 4.384 50 0 CIAARO c1coc(C[NH2+]CC[C@H](c2ccco2)c2ccccc2)c1 ZINC000002418317 567845865 /nfs/dbraw/zinc/84/58/65/567845865.db2.gz KLKJNZADXHNHED-KRWDZBQOSA-N 1 0 281.355 4.184 50 0 CIAARO CC(C)C[C@H]([NH3+])C(F)(c1ccccc1)c1ccccc1 ZINC000002506622 567846149 /nfs/dbraw/zinc/84/61/49/567846149.db2.gz PDTGGQHFGXMDGP-KRWDZBQOSA-N 1 0 271.379 4.273 50 0 CIAARO O=C(c1ccc(Cl)cc1)c1ccccc1C[NH+]1CCCC1 ZINC000002515559 567846561 /nfs/dbraw/zinc/84/65/61/567846561.db2.gz LLDNJGYMSRMCGG-UHFFFAOYSA-N 1 0 299.801 4.167 50 0 CIAARO Cc1ccc(C)c(C(=O)c2ccccc2C[NH+]2CCCC2)c1 ZINC000002515564 567846742 /nfs/dbraw/zinc/84/67/42/567846742.db2.gz MUXAUBHSPXASIL-UHFFFAOYSA-N 1 0 293.410 4.130 50 0 CIAARO CCOc1c(Cl)cc(C[NH2+][C@@H](C)CC)cc1Cl ZINC000010474933 567861937 /nfs/dbraw/zinc/86/19/37/567861937.db2.gz CHTSEULQIZZXPZ-VIFPVBQESA-N 1 0 276.207 4.280 50 0 CIAARO Cc1ccc(-n2c(-c3ccccc3)c[n+]3ccccc23)cc1 ZINC000002546725 567847983 /nfs/dbraw/zinc/84/79/83/567847983.db2.gz BRSDHZQIWXRHQP-UHFFFAOYSA-N 1 0 285.370 4.191 50 0 CIAARO CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C[NH3+])cc2)cc1 ZINC000002580909 567848643 /nfs/dbraw/zinc/84/86/43/567848643.db2.gz GKCVJEWXABJGFZ-UHFFFAOYSA-N 1 0 298.386 4.159 50 0 CIAARO CCCC[NH2+]CCCCCOc1c(C)cccc1C ZINC000002898251 567850114 /nfs/dbraw/zinc/85/01/14/567850114.db2.gz PTFQXXLZJMNVJZ-UHFFFAOYSA-N 1 0 263.425 4.242 50 0 CIAARO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C)cc1Cl ZINC000002885306 567850278 /nfs/dbraw/zinc/85/02/78/567850278.db2.gz MERLVJMFSXTKMC-BXUZGUMPSA-N 1 0 267.800 4.017 50 0 CIAARO CCc1ccc(OCCCCC[NH+]2CCCCC2)cc1 ZINC000002901535 567850500 /nfs/dbraw/zinc/85/05/00/567850500.db2.gz LKUBDHSPUBVHHK-UHFFFAOYSA-N 1 0 275.436 4.284 50 0 CIAARO Cc1ccc(Cl)c(OCCCC[NH+]2CCCCC2)c1 ZINC000002931920 567850513 /nfs/dbraw/zinc/85/05/13/567850513.db2.gz QCJXEUHGEPRSRN-UHFFFAOYSA-N 1 0 281.827 4.293 50 0 CIAARO Cc1ccc(Cl)c(OCCCC[NH2+]C(C)(C)C)c1 ZINC000002931168 567850566 /nfs/dbraw/zinc/85/05/66/567850566.db2.gz PTGRNMHMAQLKSX-UHFFFAOYSA-N 1 0 269.816 4.196 50 0 CIAARO CC(C)c1ccc(OCCCC[NH+]2CCCCC2)cc1 ZINC000002932804 567850653 /nfs/dbraw/zinc/85/06/53/567850653.db2.gz SXAAYAUYDIBLCP-UHFFFAOYSA-N 1 0 275.436 4.455 50 0 CIAARO CCCC[NH2+]CCCOc1ccccc1[C@H](C)CC ZINC000003003503 567851151 /nfs/dbraw/zinc/85/11/51/567851151.db2.gz LYSMWAOSZMOOLU-OAHLLOKOSA-N 1 0 263.425 4.359 50 0 CIAARO C[C@@H]1CCC[N@H+](CCCOc2cccc3ccccc32)C1 ZINC000003001910 567851241 /nfs/dbraw/zinc/85/12/41/567851241.db2.gz XVFUAVCJXFORPJ-MRXNPFEDSA-N 1 0 283.415 4.341 50 0 CIAARO c1ccc(Oc2ccccc2[C@H]2CCCC[NH2+]2)cc1 ZINC000003734680 567853476 /nfs/dbraw/zinc/85/34/76/567853476.db2.gz CKVUXUPEXBSDOQ-MRXNPFEDSA-N 1 0 253.345 4.294 50 0 CIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCSc2ccccc2)C1 ZINC000004568482 567858345 /nfs/dbraw/zinc/85/83/45/567858345.db2.gz NAHGSCRAUMNHIA-GASCZTMLSA-N 1 0 263.450 4.147 50 0 CIAARO CCOc1c(Cl)cc(C[NH2+]CC(C)C)cc1Cl ZINC000004657589 567858802 /nfs/dbraw/zinc/85/88/02/567858802.db2.gz VJOIDVWVFIQDTH-UHFFFAOYSA-N 1 0 276.207 4.138 50 0 CIAARO CCOc1c(Cl)cc(C[NH2+]C2CCCC2)cc1Cl ZINC000010435753 567861237 /nfs/dbraw/zinc/86/12/37/567861237.db2.gz SQQTWPCGDBNHAE-UHFFFAOYSA-N 1 0 288.218 4.424 50 0 CIAARO CCCC[NH2+]Cc1cc(Cl)c(OCC)c(Cl)c1 ZINC000010435763 567861361 /nfs/dbraw/zinc/86/13/61/567861361.db2.gz QWLPUMDZOLLWBJ-UHFFFAOYSA-N 1 0 276.207 4.282 50 0 CIAARO C[NH2+]Cc1c(C)n(Cc2ccccc2Cl)c2ccccc12 ZINC000010315561 567861470 /nfs/dbraw/zinc/86/14/70/567861470.db2.gz WALDCTCLDIADGP-UHFFFAOYSA-N 1 0 298.817 4.371 50 0 CIAARO Clc1cc(C[NH2+]C2CC2)ccc1OCc1ccccc1 ZINC000010475293 567861807 /nfs/dbraw/zinc/86/18/07/567861807.db2.gz JZVMAAWMOIHLIO-UHFFFAOYSA-N 1 0 287.790 4.171 50 0 CIAARO COc1ccc(-c2ccc(C[NH2+]C(C)C)o2)cc1Cl ZINC000010436281 567861911 /nfs/dbraw/zinc/86/19/11/567861911.db2.gz MSEXFSUVISXVMY-UHFFFAOYSA-N 1 0 279.767 4.107 50 0 CIAARO c1ccc(-c2nc3ccccc3c(Nc3cc[nH+]cc3)n2)cc1 ZINC000013633702 567866687 /nfs/dbraw/zinc/86/66/87/567866687.db2.gz QGWNGFYEPGNYNY-UHFFFAOYSA-N 1 0 298.349 4.435 50 0 in-vivo CIAARO CC1=Nc2ccccc2[N-]C(=[NH2+])C1c1cccc(Cl)c1 ZINC000013637106 567866697 /nfs/dbraw/zinc/86/66/97/567866697.db2.gz MVADHTQUOPCFGT-UHFFFAOYSA-N 1 0 283.762 4.185 50 0 CIAARO CCc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000013721144 567867469 /nfs/dbraw/zinc/86/74/69/567867469.db2.gz DVYSFBYGHPPYML-UHFFFAOYSA-N 1 0 273.807 4.235 50 0 CIAARO CCOc1ccc(Cl)cc1C[NH2+]C(C)(C)CC ZINC000013718017 567867472 /nfs/dbraw/zinc/86/74/72/567867472.db2.gz FDHZVMPJLZMGST-UHFFFAOYSA-N 1 0 255.789 4.017 50 0 CIAARO Cc1c([C@H](C)[NH2+]C2CCCCC2)cnn1-c1ccccc1 ZINC000015076337 567870378 /nfs/dbraw/zinc/87/03/78/567870378.db2.gz YTIWLEBSENDEHZ-AWEZNQCLSA-N 1 0 283.419 4.164 50 0 CIAARO CC(C)c1cc([C@H]2CCCN2Cc2cccs2)no1 ZINC000015866924 567871373 /nfs/dbraw/zinc/87/13/73/567871373.db2.gz DPKMAVQXTXPJEZ-CQSZACIVSA-N 1 0 276.405 4.197 50 0 CIAARO Brc1cccc(C[NH2+]C2CCCCCC2)c1 ZINC000016386196 567872755 /nfs/dbraw/zinc/87/27/55/567872755.db2.gz KBSMRVZMHBXHBM-UHFFFAOYSA-N 1 0 282.225 4.262 50 0 CIAARO c1ccc(-c2ccc(C[NH2+]C3CCCC3)cc2)cc1 ZINC000016493123 567872903 /nfs/dbraw/zinc/87/29/03/567872903.db2.gz KLURVOBCGUILHN-UHFFFAOYSA-N 1 0 251.373 4.386 50 0 CIAARO CCc1ccc(OCC[NH2+]Cc2ccccc2Cl)cc1 ZINC000019737604 567878583 /nfs/dbraw/zinc/87/85/83/567878583.db2.gz CIOHBDSMNXHDNM-UHFFFAOYSA-N 1 0 289.806 4.071 50 0 CIAARO C[C@@H]([NH2+]Cc1ccccc1)c1ccc(Br)cc1 ZINC000019899478 567879854 /nfs/dbraw/zinc/87/98/54/567879854.db2.gz OARFDXOHFLKLRO-GFCCVEGCSA-N 1 0 290.204 4.300 50 0 CIAARO Cc1ccc([C@H]2[NH2+]CCc3c4cc(Cl)ccc4[nH]c32)cc1 ZINC000019957859 567880117 /nfs/dbraw/zinc/88/01/17/567880117.db2.gz HXOMGWYMKDFJHO-QGZVFWFLSA-N 1 0 296.801 4.365 50 0 CIAARO C[C@@H]([NH2+]Cc1ccncc1)c1ccc(Cl)cc1Cl ZINC000019917684 567880262 /nfs/dbraw/zinc/88/02/62/567880262.db2.gz DKDZDIRNOCIQJZ-SNVBAGLBSA-N 1 0 281.186 4.239 50 0 CIAARO CC[NH2+]Cc1cccc(OCc2ccc(F)cc2Cl)c1 ZINC000037703991 567880465 /nfs/dbraw/zinc/88/04/65/567880465.db2.gz VNVNIKHLEDQRTF-UHFFFAOYSA-N 1 0 293.769 4.168 50 0 CIAARO COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2Cl)cc1 ZINC000023282313 567884275 /nfs/dbraw/zinc/88/42/75/567884275.db2.gz DPFHDKDKSHDYNR-ZDUSSCGKSA-N 1 0 289.806 4.069 50 0 CIAARO Cc1ccc(C[NH2+]Cc2cccc(Cl)c2)cc1F ZINC000070160131 567884884 /nfs/dbraw/zinc/88/48/84/567884884.db2.gz AYJSJGKLVWTGBT-UHFFFAOYSA-N 1 0 263.743 4.077 50 0 CIAARO CCCC[NH2+]Cc1ccccc1OCc1cccc(C)c1 ZINC000032129466 567885885 /nfs/dbraw/zinc/88/58/85/567885885.db2.gz CEHCHTPCUILRGJ-UHFFFAOYSA-N 1 0 283.415 4.464 50 0 CIAARO CCCC[NH2+]Cc1ccc(OCc2cccc(C)c2)cc1 ZINC000032129482 567886038 /nfs/dbraw/zinc/88/60/38/567886038.db2.gz OJDHZCIGDMMMOM-UHFFFAOYSA-N 1 0 283.415 4.464 50 0 CIAARO Cc1sc2c(c1C)C[NH2+][C@@H](c1ccccc1)c1cccn1-2 ZINC000032919300 567886518 /nfs/dbraw/zinc/88/65/18/567886518.db2.gz NOQXITYAKAKCBC-KRWDZBQOSA-N 1 0 294.423 4.348 50 0 CIAARO Cc1ccccc1C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000022023228 567887939 /nfs/dbraw/zinc/88/79/39/567887939.db2.gz PKJZRSLIPMDVIS-SFHVURJKSA-N 1 0 266.388 4.117 50 0 CIAARO COc1ccc(C2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000034466754 567887961 /nfs/dbraw/zinc/88/79/61/567887961.db2.gz MUZGGFNYVLGUFS-UHFFFAOYSA-N 1 0 273.420 4.341 50 0 in-vitro CIAARO CC[NH+](CC)CCCOc1cccc(Cl)c1Cl ZINC000002932234 567888100 /nfs/dbraw/zinc/88/81/00/567888100.db2.gz ZUGOYUFZTSBZKD-UHFFFAOYSA-N 1 0 276.207 4.104 50 0 CIAARO [NH3+]Cc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1 ZINC000036814552 567889881 /nfs/dbraw/zinc/88/98/81/567889881.db2.gz GISJYMYFSFTSAZ-UHFFFAOYSA-N 1 0 268.143 4.244 50 0 CIAARO CCC(CC)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038001607 567890463 /nfs/dbraw/zinc/89/04/63/567890463.db2.gz TUCYCOOZVWQETN-QMMMGPOBSA-N 1 0 276.243 4.350 50 0 CIAARO CCCCC[NH2+]Cc1ccc(OC(C)C)c(Cl)c1 ZINC000040731083 567890768 /nfs/dbraw/zinc/89/07/68/567890768.db2.gz GQVKNMJNNUZFRY-UHFFFAOYSA-N 1 0 269.816 4.407 50 0 CIAARO CCCCC[NH2+]Cc1cc(Cl)ccc1OC(C)C ZINC000040730336 567890990 /nfs/dbraw/zinc/89/09/90/567890990.db2.gz WJIFRHHHCIAUTF-UHFFFAOYSA-N 1 0 269.816 4.407 50 0 CIAARO c1ccc(Cc2ccc(OCC[C@@H]3CCCC[NH2+]3)cc2)cc1 ZINC000042773287 567891634 /nfs/dbraw/zinc/89/16/34/567891634.db2.gz YZFJRNKYCWHZOL-IBGZPJMESA-N 1 0 295.426 4.188 50 0 CIAARO c1ccc(Cc2ccc(OCC[C@H]3CCCC[NH2+]3)cc2)cc1 ZINC000042773290 567891709 /nfs/dbraw/zinc/89/17/09/567891709.db2.gz YZFJRNKYCWHZOL-LJQANCHMSA-N 1 0 295.426 4.188 50 0 CIAARO CCC(C)(C)c1ccc(O[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775282 567892033 /nfs/dbraw/zinc/89/20/33/567892033.db2.gz BVNQKNYLFIGRBB-CYBMUJFWSA-N 1 0 281.827 4.158 50 0 CIAARO CCCC(CCC)[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000095407528 567893037 /nfs/dbraw/zinc/89/30/37/567893037.db2.gz MEAZLXGPYRPNCR-UHFFFAOYSA-N 1 0 289.467 4.130 50 0 CIAARO COc1ccccc1[C@H](CC[NH2+]Cc1ccco1)C(C)C ZINC000013684642 567893855 /nfs/dbraw/zinc/89/38/55/567893855.db2.gz FBRMVAZDJSSLEE-MRXNPFEDSA-N 1 0 287.403 4.208 50 0 CIAARO Cc1ccc(Cn2cc(C[NH2+]C(C)C)c3ccccc32)cc1 ZINC000057353143 567894883 /nfs/dbraw/zinc/89/48/83/567894883.db2.gz FNPXAEYVQGJHKW-UHFFFAOYSA-N 1 0 292.426 4.496 50 0 CIAARO CCC[NH2+]Cc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000057353107 567894901 /nfs/dbraw/zinc/89/49/01/567894901.db2.gz QNQCGPQPMASIJP-UHFFFAOYSA-N 1 0 296.389 4.328 50 0 CIAARO C[N+](Cc1ccccc1)=C1C=C(N2CCCC2)CC(C)(C)C1 ZINC000058158311 567895365 /nfs/dbraw/zinc/89/53/65/567895365.db2.gz BAHWXLHTUVXXKN-UHFFFAOYSA-N 1 0 297.466 4.070 50 0 CIAARO C[C@@H](c1ccc(-c2[nH]cnc2-c2ccccc2)cc1)[NH+](C)C ZINC000065366228 567898695 /nfs/dbraw/zinc/89/86/95/567898695.db2.gz DKFXYYFPYQSPKB-AWEZNQCLSA-N 1 0 291.398 4.366 50 0 CIAARO C/C(=C\c1ccccc1)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000065405678 567899142 /nfs/dbraw/zinc/89/91/42/567899142.db2.gz GAOWSVJOJMDUGS-STTHAQSSSA-N 1 0 266.388 4.178 50 0 CIAARO C[NH+](C)CC(C)(C)Cn1cnc(-c2ccccc2)c1C1CC1 ZINC000065451884 567899197 /nfs/dbraw/zinc/89/91/97/567899197.db2.gz XDFJZQJTTGMEKI-UHFFFAOYSA-N 1 0 297.446 4.015 50 0 CIAARO C/C=C(\CC)c1c(-c2ccccc2)ncn1CCCC[NH2+]C ZINC000065417494 567899316 /nfs/dbraw/zinc/89/93/16/567899316.db2.gz NYUUKLXRMWGOKO-AYSLTRBKSA-N 1 0 297.446 4.363 50 0 CIAARO FC(F)(F)C1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000068575652 567901126 /nfs/dbraw/zinc/90/11/26/567901126.db2.gz FZGPQHRSIOFWRD-UHFFFAOYSA-N 1 0 297.242 4.003 50 0 CIAARO CCOc1ccc(-c2cccc3cnccc32)cc1C[NH2+]C ZINC000067955141 567901250 /nfs/dbraw/zinc/90/12/50/567901250.db2.gz JXVYIQMGOJETRJ-UHFFFAOYSA-N 1 0 292.382 4.020 50 0 CIAARO Cc1ccc(-c2c[nH+]c(NCc3ccccc3)n2C)cc1 ZINC000004678607 567901483 /nfs/dbraw/zinc/90/14/83/567901483.db2.gz ICVQGZMYWFETIF-UHFFFAOYSA-N 1 0 277.371 4.008 50 0 CIAARO Cc1ccc(-c2c[nH+]c(NCc3cccc(F)c3)n2C)cc1 ZINC000004678638 567901485 /nfs/dbraw/zinc/90/14/85/567901485.db2.gz MMGLJSCRSCIIOL-UHFFFAOYSA-N 1 0 295.361 4.147 50 0 CIAARO Cc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000004689978 567901958 /nfs/dbraw/zinc/90/19/58/567901958.db2.gz LOGLIIGJDWWILC-UHFFFAOYSA-N 1 0 279.427 4.450 50 0 CIAARO Cc1ccc(OCC[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c(C)c1 ZINC000016294269 567908449 /nfs/dbraw/zinc/90/84/49/567908449.db2.gz AEZWPUKAYATQGE-DJIMGWMZSA-N 1 0 275.436 4.097 50 0 CIAARO CCCC[C@H](CC)C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000095444343 567908720 /nfs/dbraw/zinc/90/87/20/567908720.db2.gz QXTHAJILGMYHSN-CABCVRRESA-N 1 0 263.425 4.046 50 0 CIAARO Cc1ccccc1-c1cccc(C[N@@H+]2CCC[C@@H]2CCO)c1 ZINC000097814942 567911209 /nfs/dbraw/zinc/91/12/09/567911209.db2.gz CQPSZMWGLLKFPO-LJQANCHMSA-N 1 0 295.426 4.009 50 0 CIAARO C[N@H+](Cn1c2ccccc2oc1=S)C1CCCCC1 ZINC000000175288 567924457 /nfs/dbraw/zinc/92/44/57/567924457.db2.gz JHAGQQJEHFPRJG-UHFFFAOYSA-N 1 0 276.405 4.186 50 0 CIAARO CC[C@H](C)C[NH2+]Cc1ccccc1SC(F)(F)F ZINC000725270990 567924646 /nfs/dbraw/zinc/92/46/46/567924646.db2.gz XDDSZDCFJRYDNZ-JTQLQIEISA-N 1 0 277.355 4.434 50 0 CIAARO C1=C2CCc3c4ccccc4[nH]c3[C@@H]2N(c2ccccc2)[NH2+]1 ZINC000000287027 567925981 /nfs/dbraw/zinc/92/59/81/567925981.db2.gz JBLKNMPGVAJGTP-LJQANCHMSA-N 1 0 287.366 4.064 50 0 CIAARO [NH3+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000011831725 567928297 /nfs/dbraw/zinc/92/82/97/567928297.db2.gz BBRKOBRIBVXCST-UHFFFAOYSA-N 1 0 282.170 4.031 50 0 CIAARO Cc1[nH]c2ccccc2c1[C@H](c1ccncc1)[NH+]1CCCC1 ZINC000000353093 567931172 /nfs/dbraw/zinc/93/11/72/567931172.db2.gz SMJAGZPKNZYDGL-IBGZPJMESA-N 1 0 291.398 4.057 50 0 CIAARO CCOc1ccccc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000002890193 567937859 /nfs/dbraw/zinc/93/78/59/567937859.db2.gz XCGKNRPHKCAQCL-UHFFFAOYSA-N 1 0 263.425 4.390 50 0 CIAARO CC(C)c1ccc(N2Cc3ccccc3C2=[NH2+])cc1 ZINC000100927268 567939358 /nfs/dbraw/zinc/93/93/58/567939358.db2.gz VQLAVEDFUZANND-UHFFFAOYSA-N 1 0 250.345 4.156 50 0 CIAARO CCCCc1ccc(N2Cc3ccccc3C2=[NH2+])cc1 ZINC000101095440 567940831 /nfs/dbraw/zinc/94/08/31/567940831.db2.gz ZRLPSBNQPSYIOF-UHFFFAOYSA-N 1 0 264.372 4.375 50 0 CIAARO Clc1ccc(CC[NH2+]C/C=C/c2ccccc2)cc1 ZINC000013720974 567942051 /nfs/dbraw/zinc/94/20/51/567942051.db2.gz FUHXLWFCMOHYJI-QPJJXVBHSA-N 1 0 271.791 4.186 50 0 CIAARO CCOc1ccccc1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000013725575 567942096 /nfs/dbraw/zinc/94/20/96/567942096.db2.gz OPMJPMYSBZHTMN-INIZCTEOSA-N 1 0 283.415 4.196 50 0 CIAARO C[C@@H](C[NH2+]CCc1ccc(Cl)cc1)c1ccccc1 ZINC000013721502 567942143 /nfs/dbraw/zinc/94/21/43/567942143.db2.gz JLBFHTLVEZMYRO-AWEZNQCLSA-N 1 0 273.807 4.276 50 0 CIAARO Cc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)cc1 ZINC000013717810 567942155 /nfs/dbraw/zinc/94/21/55/567942155.db2.gz GRBIMXZFLWIPES-INIZCTEOSA-N 1 0 253.389 4.106 50 0 CIAARO CCCCOCCC[NH2+]Cc1ccccc1C(F)(F)F ZINC000013719925 567942189 /nfs/dbraw/zinc/94/21/89/567942189.db2.gz GELATPARCOYJOI-UHFFFAOYSA-N 1 0 289.341 4.002 50 0 CIAARO Cc1ccc(C[NH2+][C@H](C)CCc2ccccc2)cc1 ZINC000013717811 567942219 /nfs/dbraw/zinc/94/22/19/567942219.db2.gz GRBIMXZFLWIPES-MRXNPFEDSA-N 1 0 253.389 4.106 50 0 CIAARO CCOc1ccc(C[NH2+][C@H](C)CCc2ccccc2)cc1 ZINC000013725563 567942226 /nfs/dbraw/zinc/94/22/26/567942226.db2.gz SFKVYITUNPKRTO-MRXNPFEDSA-N 1 0 283.415 4.196 50 0 CIAARO CC[NH2+][C@@H](C)CC(c1ccccc1)c1ccccc1 ZINC000034459034 567949310 /nfs/dbraw/zinc/94/93/10/567949310.db2.gz LHZORLASXUOCLW-HNNXBMFYSA-N 1 0 253.389 4.207 50 0 CIAARO CC(C)Oc1ccccc1C[NH2+]C1CCCCCC1 ZINC000032112166 567955790 /nfs/dbraw/zinc/95/57/90/567955790.db2.gz KJPZGGRJZCJQKN-UHFFFAOYSA-N 1 0 261.409 4.286 50 0 CIAARO CSc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)cc1 ZINC000052009759 570238548 /nfs/dbraw/zinc/23/85/48/570238548.db2.gz HGVFOVCFJNCHOA-HNNXBMFYSA-N 1 0 288.416 4.042 50 0 CIAARO Cc1ccc2[nH+]c(C)cc(Nc3ccccc3O)c2c1 ZINC000000534925 570287101 /nfs/dbraw/zinc/28/71/01/570287101.db2.gz MSDHUEVQYLTMGF-UHFFFAOYSA-N 1 0 264.328 4.301 50 0 CIAARO c1coc(C[N@H+](Cc2ccccc2)C2CCCC2)c1 ZINC000048276333 570296966 /nfs/dbraw/zinc/29/69/66/570296966.db2.gz SCFCZRIMNYQNQJ-UHFFFAOYSA-N 1 0 255.361 4.224 50 0 CIAARO CC(C)c1ccc([C@@H](OCC[NH+](C)C)c2ccccc2)cc1 ZINC000001999751 570326696 /nfs/dbraw/zinc/32/66/96/570326696.db2.gz CDQSPYCJHMOSQQ-FQEVSTJZSA-N 1 0 297.442 4.478 50 0 CIAARO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(C)c2)cc1O ZINC000015836810 570344074 /nfs/dbraw/zinc/34/40/74/570344074.db2.gz PAKWYSHPBWCPIT-KRWDZBQOSA-N 1 0 297.398 4.046 50 0 CIAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000015837097 570344135 /nfs/dbraw/zinc/34/41/35/570344135.db2.gz VOESKNZSEJOBCX-GOSISDBHSA-N 1 0 267.372 4.032 50 0 CIAARO CC[C@H](C)c1ccccc1OCC[N@@H+]1CCC[C@@H](C)C1 ZINC000000469598 570369806 /nfs/dbraw/zinc/36/98/06/570369806.db2.gz ODYGTZFICIVCRH-CVEARBPZSA-N 1 0 275.436 4.311 50 0 CIAARO c1n(Cc2ccccc2)c2ccccc2[n+]1Cc1ccccc1 ZINC000001117109 230366716 /nfs/dbraw/zinc/36/67/16/230366716.db2.gz OBWKXPVNIZSKAN-UHFFFAOYSA-N 1 0 299.397 4.025 50 0 CIAARO CCn1cc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)c(C)n1 ZINC000426597224 230424128 /nfs/dbraw/zinc/42/41/28/230424128.db2.gz MEOBEEPGXJCSJG-HNNXBMFYSA-N 1 0 283.419 4.035 50 0 CIAARO C[C@H](c1ccccn1)[NH+]1CCC2(CCCCC2)CC1 ZINC000095964129 185044777 /nfs/dbraw/zinc/04/47/77/185044777.db2.gz HOHWKUYXPVKDAH-OAHLLOKOSA-N 1 0 258.409 4.189 50 0 CIAARO CC[C@@H]([NH2+][C@@H]1CCc2ccc(C)cc21)c1c(C)nn(C)c1C ZINC000095968719 185047411 /nfs/dbraw/zinc/04/74/11/185047411.db2.gz DRQBZCDTSLSTJW-QZTJIDSGSA-N 1 0 297.446 4.074 50 0 CIAARO C[C@@H](C[NH2+][C@@H](C)c1ccsc1)c1ccsc1 ZINC000122272476 187023853 /nfs/dbraw/zinc/02/38/53/187023853.db2.gz DOKBYXSXQSFRBC-QWRGUYRKSA-N 1 0 251.420 4.264 50 0 CIAARO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)[C@@H](C)c1ccccc1 ZINC000253427309 189992090 /nfs/dbraw/zinc/99/20/90/189992090.db2.gz DZBJOCMBUKBLIO-LVFSCSRESA-N 1 0 265.400 4.324 50 0 CIAARO Clc1ccc(CN2CCCCC2)cc1Br ZINC000258032272 190038322 /nfs/dbraw/zinc/03/83/22/190038322.db2.gz CURXDDKIALAMAT-UHFFFAOYSA-N 1 0 288.616 4.088 50 0 CIAARO Clc1ccccc1[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000019300560 256842101 /nfs/dbraw/zinc/84/21/01/256842101.db2.gz OUEVITYKERYSQH-INIZCTEOSA-N 1 0 282.774 4.056 50 0 CIAARO C[C@H](C[NH+](C)C)N1c2ccccc2Sc2ccccc21 ZINC000005141705 134654384 /nfs/dbraw/zinc/65/43/84/134654384.db2.gz CGNHCKZJGQDWBG-CYBMUJFWSA-N 1 0 284.428 4.239 50 0 in-vitro CIAARO Cc1ccc(C(=O)c2ccccc2C[NH+]2CCCC2)c(C)c1 ZINC000002515563 169798751 /nfs/dbraw/zinc/79/87/51/169798751.db2.gz XIGFPSWESPRWPJ-UHFFFAOYSA-N 1 0 293.410 4.130 50 0 CIAARO CCCC[NH2+]CCCCCCOc1ccc(C)cc1 ZINC000002900092 169843115 /nfs/dbraw/zinc/84/31/15/169843115.db2.gz OFRFAKNVNWIJLW-UHFFFAOYSA-N 1 0 263.425 4.324 50 0 CIAARO CC[NH+](CC)CCCCOc1cccc(Cl)c1Cl ZINC000002932776 169844833 /nfs/dbraw/zinc/84/48/33/169844833.db2.gz YDAQXFPUIADPSI-UHFFFAOYSA-N 1 0 290.234 4.494 50 0 CIAARO CCCC[NH2+]CCCOc1c(Cl)cc(C)cc1Cl ZINC000002930955 169844890 /nfs/dbraw/zinc/84/48/90/169844890.db2.gz QNSZJHIPQWIOSH-UHFFFAOYSA-N 1 0 290.234 4.460 50 0 CIAARO CCC[NH2+]CCO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000004167814 169940933 /nfs/dbraw/zinc/94/09/33/169940933.db2.gz FHXNPBGVNLTATJ-LJQANCHMSA-N 1 0 283.415 4.101 50 0 CIAARO C[C@@H]1C[C@@H](C)C[NH+](CCCSc2ccccc2)C1 ZINC000004568484 169985228 /nfs/dbraw/zinc/98/52/28/169985228.db2.gz NAHGSCRAUMNHIA-HUUCEWRRSA-N 1 0 263.450 4.147 50 0 CIAARO CC(C)c1ccc2oc(-c3ccc(C[NH3+])cc3)nc2c1 ZINC000004741162 170009036 /nfs/dbraw/zinc/00/90/36/170009036.db2.gz JAKSEYQDQBWHMI-UHFFFAOYSA-N 1 0 266.344 4.077 50 0 CIAARO CC[n+]1c(/C=C/c2ccccc2)ccc2ccccc21 ZINC000004792456 170017869 /nfs/dbraw/zinc/01/78/69/170017869.db2.gz OLZXHSGLVSGXMB-WYMLVPIESA-N 1 0 260.360 4.318 50 0 CIAARO Cc1ccc(C(C)C)c(OCC[NH+]2CCCCCC2)c1 ZINC000004907343 170039592 /nfs/dbraw/zinc/03/95/92/170039592.db2.gz MWJKQKUPCRXIHI-UHFFFAOYSA-N 1 0 275.436 4.373 50 0 CIAARO CC(C)c1cccc(OCC[NH+]2CCCCCC2)c1 ZINC000004978601 170048095 /nfs/dbraw/zinc/04/80/95/170048095.db2.gz ZZUJGHUILHTTAJ-UHFFFAOYSA-N 1 0 261.409 4.065 50 0 CIAARO Cc1ccc(C)c(OCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000005013296 170055319 /nfs/dbraw/zinc/05/53/19/170055319.db2.gz MAGKFGXMVDBJOC-UHFFFAOYSA-N 1 0 295.426 4.131 50 0 CIAARO Cc1ccc(OCC[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c(C)c1 ZINC000005013700 170055894 /nfs/dbraw/zinc/05/58/94/170055894.db2.gz AEZWPUKAYATQGE-BHYGNILZSA-N 1 0 275.436 4.097 50 0 CIAARO COc1c(Cl)cc(Cl)cc1C[NH2+]C1CCCCC1 ZINC000005028084 170057801 /nfs/dbraw/zinc/05/78/01/170057801.db2.gz JHVMVKPKKNBXJY-UHFFFAOYSA-N 1 0 288.218 4.424 50 0 CIAARO C[C@H](CC(=O)[C@@H]1[C@@H](C)C=CCC1(C)C)[NH2+]Cc1ccccc1 ZINC000005151612 170070862 /nfs/dbraw/zinc/07/08/62/170070862.db2.gz QMLSZOCKIAJRPY-FCEWJHQRSA-N 1 0 299.458 4.362 50 0 CIAARO Cc1cc([N+]#N)c(Cl)cc1NC(=O)c1ccccc1 ZINC000005277004 170081933 /nfs/dbraw/zinc/08/19/33/170081933.db2.gz FKWOFXBLTZSXHS-UHFFFAOYSA-O 1 0 272.715 4.385 50 0 CIAARO COc1cc(C[NH2+]CC(C)C)ccc1OCc1ccccc1 ZINC000005384294 170092746 /nfs/dbraw/zinc/09/27/46/170092746.db2.gz CYXIKQFBCCKBCM-UHFFFAOYSA-N 1 0 299.414 4.020 50 0 CIAARO CC[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000005476272 170102871 /nfs/dbraw/zinc/10/28/71/170102871.db2.gz CTLLESBERPXART-OAHLLOKOSA-N 1 0 299.414 4.162 50 0 CIAARO CC[NH+](CC)CCO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000005509467 170105927 /nfs/dbraw/zinc/10/59/27/170105927.db2.gz UMUCRXOOBZYPMO-HXUWFJFHSA-N 1 0 297.442 4.443 50 0 CIAARO Cc1[nH]c2cc(C)ccc2c1C(=O)[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000005563029 170114053 /nfs/dbraw/zinc/11/40/53/170114053.db2.gz RDMLYOKFAHPRQE-ZFWWWQNUSA-N 1 0 298.430 4.230 50 0 CIAARO CC(C)C[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000005817301 170143131 /nfs/dbraw/zinc/14/31/31/170143131.db2.gz WYTBXYHBHZIKDK-UHFFFAOYSA-N 1 0 287.378 4.150 50 0 CIAARO CC[C@H](C)[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000005907948 170153766 /nfs/dbraw/zinc/15/37/66/170153766.db2.gz DMQCTOWQBXVVKH-AWEZNQCLSA-N 1 0 287.378 4.293 50 0 CIAARO Clc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2)cc1 ZINC000006088077 170175293 /nfs/dbraw/zinc/17/52/93/170175293.db2.gz PSNGTEFKMWFIEG-UHFFFAOYSA-N 1 0 297.789 4.020 50 0 CIAARO COc1ccc(Nc2cc(C)[nH+]c3ccccc23)cc1 ZINC000006235771 170184412 /nfs/dbraw/zinc/18/44/12/170184412.db2.gz IDYPPINOEMTNLD-UHFFFAOYSA-N 1 0 264.328 4.295 50 0 CIAARO CCC[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000006430999 170200890 /nfs/dbraw/zinc/20/08/90/170200890.db2.gz FACNRTFFHXHIQF-UHFFFAOYSA-N 1 0 289.806 4.419 50 0 CIAARO CCC[NH2+]Cc1cccc(OCC)c1OCc1ccccc1 ZINC000006430986 170201077 /nfs/dbraw/zinc/20/10/77/170201077.db2.gz LGGIETVVKJNEPR-UHFFFAOYSA-N 1 0 299.414 4.164 50 0 CIAARO CC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000006497343 170207059 /nfs/dbraw/zinc/20/70/59/170207059.db2.gz ZBYUILVCYPDQAV-UHFFFAOYSA-N 1 0 275.779 4.029 50 0 CIAARO C[C@@H]1CCC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000006652590 170222171 /nfs/dbraw/zinc/22/21/71/170222171.db2.gz TWDYWTJMXWKMEO-CQSZACIVSA-N 1 0 263.384 4.488 50 0 CIAARO CC(C)CC[C@@H](CC[NH2+]Cc1cccnc1)c1ccco1 ZINC000006673121 170224813 /nfs/dbraw/zinc/22/48/13/170224813.db2.gz WXOHINPFBNPOSN-KRWDZBQOSA-N 1 0 286.419 4.374 50 0 CIAARO C[C@H](c1ccccc1Sc1cccc(O)c1)[NH+](C)C ZINC000006853045 170249117 /nfs/dbraw/zinc/24/91/17/170249117.db2.gz ZPDYJDPGMUVFQU-GFCCVEGCSA-N 1 0 273.401 4.166 50 0 CIAARO CCCC[NH2+]Cc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000007261709 170273704 /nfs/dbraw/zinc/27/37/04/170273704.db2.gz QPPLLPCHUPFLGB-UHFFFAOYSA-N 1 0 293.794 4.498 50 0 CIAARO CCCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCC ZINC000007261652 170273977 /nfs/dbraw/zinc/27/39/77/170273977.db2.gz HCPALZTVOIPGKT-UHFFFAOYSA-N 1 0 276.207 4.282 50 0 CIAARO CCC[NH2+]Cc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000007262363 170274527 /nfs/dbraw/zinc/27/45/27/170274527.db2.gz DNCOGCVZPZTBJJ-UHFFFAOYSA-N 1 0 299.414 4.082 50 0 CIAARO CC(C)(C)c1ccc(C[n+]2ccc3ccccc3c2)cc1 ZINC000007714507 170298816 /nfs/dbraw/zinc/29/88/16/170298816.db2.gz CHQOIMIITIJFBP-UHFFFAOYSA-N 1 0 276.403 4.473 50 0 CIAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+]C1CCCC1 ZINC000008253410 170327050 /nfs/dbraw/zinc/32/70/50/170327050.db2.gz AYEIRSWMFIXNEF-UHFFFAOYSA-N 1 0 288.218 4.424 50 0 CIAARO CCOc1ccc(Cl)cc1C[NH2+]Cc1ccccc1 ZINC000008324587 170330916 /nfs/dbraw/zinc/33/09/16/170330916.db2.gz LCYJKLVYJSWFKV-UHFFFAOYSA-N 1 0 275.779 4.029 50 0 CIAARO CCOc1ccc2ccccc2c1C[NH2+]C1CCCC1 ZINC000008325069 170331390 /nfs/dbraw/zinc/33/13/90/170331390.db2.gz PQDZRUSTEHKQJY-UHFFFAOYSA-N 1 0 269.388 4.271 50 0 CIAARO CC[C@@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2c(C)cccc2c1=O ZINC000008691842 170345966 /nfs/dbraw/zinc/34/59/66/170345966.db2.gz RPUCXWLLRRYLNF-OAHLLOKOSA-N 1 0 298.430 4.322 50 0 CIAARO CCc1ccc2[nH]c(C)c(C[NH+]3CCC(C)CC3)c(=O)c2c1 ZINC000008714073 170348409 /nfs/dbraw/zinc/34/84/09/170348409.db2.gz ZNQCAHCPSONMMI-UHFFFAOYSA-N 1 0 298.430 4.043 50 0 CIAARO CCc1ccc2[nH]c(C)c(C[N@@H+]3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008714071 170348631 /nfs/dbraw/zinc/34/86/31/170348631.db2.gz KOPFGXWVVJXJMA-ZDUSSCGKSA-N 1 0 298.430 4.043 50 0 CIAARO CCn1cc(/C=C/c2cc[n+](C)cc2)c2cc(Cl)ccc21 ZINC000008742776 170353570 /nfs/dbraw/zinc/35/35/70/170353570.db2.gz FFMNDCQROVRORU-UHFFFAOYSA-N 1 0 297.809 4.310 50 0 CIAARO Brc1cccc(C[NH2+]CCC2=CCCCC2)c1 ZINC000013723569 170582021 /nfs/dbraw/zinc/58/20/21/170582021.db2.gz LUDUZZONWFWFIU-UHFFFAOYSA-N 1 0 294.236 4.429 50 0 CIAARO c1ccc([C@H]2C[NH2+]Cc3c4ccccc4ccc32)cc1 ZINC000019911607 170922224 /nfs/dbraw/zinc/92/22/24/170922224.db2.gz AJTPQUQBGRYBEE-GOSISDBHSA-N 1 0 259.352 4.075 50 0 CIAARO C[C@@H]([NH2+]Cc1ccncc1)c1cccc2ccccc21 ZINC000020136827 171024742 /nfs/dbraw/zinc/02/47/42/171024742.db2.gz NKSMAGIFIGLYEB-CQSZACIVSA-N 1 0 262.356 4.086 50 0 CIAARO c1ccc(-c2ccccc2OCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000020221565 171083030 /nfs/dbraw/zinc/08/30/30/171083030.db2.gz ZCADWJNZFJCYBP-KRWDZBQOSA-N 1 0 281.399 4.265 50 0 CIAARO c1ccc(-c2ccccc2OCC[C@H]2CCCC[NH2+]2)cc1 ZINC000020221566 171083215 /nfs/dbraw/zinc/08/32/15/171083215.db2.gz ZCADWJNZFJCYBP-QGZVFWFLSA-N 1 0 281.399 4.265 50 0 CIAARO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccccc1Br ZINC000020523199 171236086 /nfs/dbraw/zinc/23/60/86/171236086.db2.gz XJAPQHHCMRESGA-QWRGUYRKSA-N 1 0 270.214 4.144 50 0 CIAARO Cc1ccc(C[NH2+][C@H](C)CCc2ccco2)c(C)c1 ZINC000020562020 171252444 /nfs/dbraw/zinc/25/24/44/171252444.db2.gz XVVWGHIENIBZOS-OAHLLOKOSA-N 1 0 257.377 4.007 50 0 CIAARO Cc1ccc(C[NH2+][C@@H](C)CCc2ccco2)c(C)c1 ZINC000020562017 171252494 /nfs/dbraw/zinc/25/24/94/171252494.db2.gz XVVWGHIENIBZOS-HNNXBMFYSA-N 1 0 257.377 4.007 50 0 CIAARO CC[C@@H](C)c1ccccc1OCC[C@H]1CCCC[NH2+]1 ZINC000020593606 171262959 /nfs/dbraw/zinc/26/29/59/171262959.db2.gz OTSZIGMPFSZFLQ-HUUCEWRRSA-N 1 0 261.409 4.111 50 0 CIAARO Cc1ccc(OCCC2CC[NH2+]CC2)c(C(C)(C)C)c1 ZINC000020593584 171263043 /nfs/dbraw/zinc/26/30/43/171263043.db2.gz NWVRMNQAWNXBFY-UHFFFAOYSA-N 1 0 275.436 4.061 50 0 CIAARO CCC[NH2+]Cc1cccc(OC)c1OCc1ccc(C)cc1 ZINC000020873954 171277435 /nfs/dbraw/zinc/27/74/35/171277435.db2.gz KZTURLPLMURBLC-UHFFFAOYSA-N 1 0 299.414 4.082 50 0 CIAARO COc1c(Cl)cc(C[NH2+]Cc2ccccc2)cc1Cl ZINC000020928214 171280313 /nfs/dbraw/zinc/28/03/13/171280313.db2.gz ONKCQZSRJWYDSO-UHFFFAOYSA-N 1 0 296.197 4.292 50 0 CIAARO CCCOc1c(Cl)cc(C[NH2+]C2CC2)cc1Cl ZINC000020926463 171280438 /nfs/dbraw/zinc/28/04/38/171280438.db2.gz FPHSADOYDLTVTC-UHFFFAOYSA-N 1 0 274.191 4.034 50 0 CIAARO CCCOc1ccc(C[NH2+]Cc2cccs2)cc1Cl ZINC000020925491 171280651 /nfs/dbraw/zinc/28/06/51/171280651.db2.gz ZKBMEQMBRNJOFW-UHFFFAOYSA-N 1 0 295.835 4.480 50 0 CIAARO CCCOc1c(Cl)cc(C[NH2+]C(C)(C)C)cc1OC ZINC000020931338 171280850 /nfs/dbraw/zinc/28/08/50/171280850.db2.gz BYXJZLICVWUYLB-UHFFFAOYSA-N 1 0 285.815 4.026 50 0 CIAARO CCCOc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1OC ZINC000020930976 171280940 /nfs/dbraw/zinc/28/09/40/171280940.db2.gz UJZUKRDEJGMFEN-OAHLLOKOSA-N 1 0 299.414 4.335 50 0 CIAARO CCCOc1ccc2ccccc2c1C[NH2+]C(C)C ZINC000020930786 171281184 /nfs/dbraw/zinc/28/11/84/171281184.db2.gz BYANUVDINQUYPG-UHFFFAOYSA-N 1 0 257.377 4.127 50 0 CIAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1C ZINC000021719772 171320480 /nfs/dbraw/zinc/32/04/80/171320480.db2.gz ALCLIOTUWUWLAY-KRWDZBQOSA-N 1 0 284.403 4.245 50 0 CIAARO Fc1ccccc1CC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000022076466 171352462 /nfs/dbraw/zinc/35/24/62/171352462.db2.gz SQSFLTVLCRKSJR-UHFFFAOYSA-N 1 0 295.357 4.418 50 0 CIAARO Cc1cc(C)c(C[NH2+]CCc2c[nH]c3ccccc23)cc1C ZINC000022771759 171399044 /nfs/dbraw/zinc/39/90/44/171399044.db2.gz ZNCGIPQPCYQDCK-UHFFFAOYSA-N 1 0 292.426 4.425 50 0 CIAARO CC(C)(C)[C@H](CC[NH2+][C@@H]1CCOC(C)(C)C1)c1ccco1 ZINC000032092943 171695983 /nfs/dbraw/zinc/69/59/83/171695983.db2.gz TWMBUKLLCOVEES-HUUCEWRRSA-N 1 0 293.451 4.347 50 0 CIAARO Cc1ccccc1COc1ccc(C[NH2+]C(C)C)cc1 ZINC000032117741 171709947 /nfs/dbraw/zinc/70/99/47/171709947.db2.gz UIEDCZUHBWOLDT-UHFFFAOYSA-N 1 0 269.388 4.072 50 0 CIAARO CC(C)=CCC[C@H](C)[NH2+][C@H](C)CCCC(C)(C)O ZINC000032523744 171731650 /nfs/dbraw/zinc/73/16/50/171731650.db2.gz BATWJAHHGFELLB-LSDHHAIUSA-N 1 0 255.446 4.041 50 0 CIAARO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)CCCC(C)(C)O ZINC000032523746 171731771 /nfs/dbraw/zinc/73/17/71/171731771.db2.gz BATWJAHHGFELLB-HUUCEWRRSA-N 1 0 255.446 4.041 50 0 CIAARO COc1cccc2cc(C[NH2+][C@H](C)c3ccc(F)cc3)oc21 ZINC000032740377 171746858 /nfs/dbraw/zinc/74/68/58/171746858.db2.gz NCOMAPZVMMRGCZ-GFCCVEGCSA-N 1 0 299.345 4.431 50 0 CIAARO COc1ccc(OC)c(C[NH2+]C(C)(C)CC(C)(C)C)c1 ZINC000035257249 172088347 /nfs/dbraw/zinc/08/83/47/172088347.db2.gz QLAVIEHXGKGNFA-UHFFFAOYSA-N 1 0 279.424 4.008 50 0 CIAARO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038002181 173964837 /nfs/dbraw/zinc/96/48/37/173964837.db2.gz QYIXTDJWYWYQCC-IUCAKERBSA-N 1 0 276.243 4.206 50 0 CIAARO Cc1cc(C)cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000039985836 174181487 /nfs/dbraw/zinc/18/14/87/174181487.db2.gz HQJRXWTYWSISFZ-CQSZACIVSA-N 1 0 271.326 4.078 50 0 CIAARO C[N@H+](Cc1nc2ccccc2s1)C1CCCCC1 ZINC000040161796 174196328 /nfs/dbraw/zinc/19/63/28/174196328.db2.gz BALBKNXTXBXNOS-UHFFFAOYSA-N 1 0 260.406 4.061 50 0 CIAARO CCCOc1ccccc1C[NH2+]CCC1=CCCCC1 ZINC000040722075 174385249 /nfs/dbraw/zinc/38/52/49/174385249.db2.gz ZRUSPAMYZQFSGC-UHFFFAOYSA-N 1 0 273.420 4.456 50 0 CIAARO CCCOc1c(C[NH2+][C@@H](C)CC)cc(Cl)cc1OC ZINC000040722191 174385304 /nfs/dbraw/zinc/38/53/04/174385304.db2.gz ZMCHJAUZEUZTPF-NSHDSACASA-N 1 0 285.815 4.026 50 0 CIAARO CCCOc1c(C[NH2+]C(C)(C)CC)cc(Cl)cc1OC ZINC000040722226 174385552 /nfs/dbraw/zinc/38/55/52/174385552.db2.gz QNVPBCMVCLMZGX-UHFFFAOYSA-N 1 0 299.842 4.416 50 0 CIAARO CCCOc1c(C[NH2+]C(C)(C)C)cc(Cl)cc1OC ZINC000040722165 174385596 /nfs/dbraw/zinc/38/55/96/174385596.db2.gz ZRQGMTYIBOLCKH-UHFFFAOYSA-N 1 0 285.815 4.026 50 0 CIAARO Cc1ccccc1COc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000040722673 174385628 /nfs/dbraw/zinc/38/56/28/174385628.db2.gz HPJZNSIFBDJUFU-UHFFFAOYSA-N 1 0 283.415 4.462 50 0 CIAARO CCCC[NH2+]Cc1cc(Cl)c(OC(C)C)c(OCC)c1 ZINC000040729185 174388209 /nfs/dbraw/zinc/38/82/09/174388209.db2.gz KBRJSXXZOMGTJX-UHFFFAOYSA-N 1 0 299.842 4.416 50 0 CIAARO CC(C)(C)c1cc(Cl)ccc1OCC[C@H]1CCC[NH2+]C1 ZINC000042771037 174871209 /nfs/dbraw/zinc/87/12/09/174871209.db2.gz YDNZESLITDQYEF-CYBMUJFWSA-N 1 0 295.854 4.406 50 0 CIAARO CC(C)(C)CC(C)(C)c1ccc(O[C@@H]2CC[NH2+]C2)cc1 ZINC000042782871 174878989 /nfs/dbraw/zinc/87/89/89/174878989.db2.gz FENFCQMTHWZYBX-MRXNPFEDSA-N 1 0 275.436 4.141 50 0 CIAARO CCCn1cc(C[NH2+]C2CCCC2)c2ccccc21 ZINC000045945195 175387892 /nfs/dbraw/zinc/38/78/92/175387892.db2.gz PIPMFSAHKCTHEQ-UHFFFAOYSA-N 1 0 256.393 4.084 50 0 CIAARO CCCn1cc(C[NH2+]C2CCCCC2)c2ccccc21 ZINC000045945183 175388011 /nfs/dbraw/zinc/38/80/11/175388011.db2.gz HDUQSKKZAURLAQ-UHFFFAOYSA-N 1 0 270.420 4.474 50 0 CIAARO CC(C)n1cc(C[NH2+]Cc2ccco2)c2ccccc21 ZINC000045945151 175388065 /nfs/dbraw/zinc/38/80/65/175388065.db2.gz ZHDRKMGIQOPZRK-UHFFFAOYSA-N 1 0 268.360 4.105 50 0 CIAARO C[C@H]([NH2+]CC1CCOCC1)c1ccc(Cl)cc1Cl ZINC000052171857 175533680 /nfs/dbraw/zinc/53/36/80/175533680.db2.gz YPNRTMIZVOKIMX-JTQLQIEISA-N 1 0 288.218 4.071 50 0 CIAARO c1cnn(-c2ccc(C[N@H+](C3CC3)C3CCCCC3)cc2)c1 ZINC000061163171 175643076 /nfs/dbraw/zinc/64/30/76/175643076.db2.gz KRNZTBLWAHHJLU-UHFFFAOYSA-N 1 0 295.430 4.169 50 0 CIAARO Cc1cc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)cnc1N ZINC000065381689 175725333 /nfs/dbraw/zinc/72/53/33/175725333.db2.gz DAOFZLXFNUYGNF-OAHLLOKOSA-N 1 0 295.430 4.186 50 0 CIAARO COc1ccc(CC[NH3+])cc1-c1csc2ccccc12 ZINC000067965962 175804972 /nfs/dbraw/zinc/80/49/72/175804972.db2.gz OMDOOYQQNAATGQ-UHFFFAOYSA-N 1 0 283.396 4.078 50 0 CIAARO Cc1ncsc1C[N@@H+]1CCCC[C@H]1c1cccc(F)c1 ZINC000072141791 176323359 /nfs/dbraw/zinc/32/33/59/176323359.db2.gz RLINNZJGHGLXRI-HNNXBMFYSA-N 1 0 290.407 4.318 50 0 CIAARO Cc1noc(C)c1C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000072150981 176327509 /nfs/dbraw/zinc/32/75/09/176327509.db2.gz MONAYQMDVYPVKF-KRWDZBQOSA-N 1 0 288.366 4.158 50 0 CIAARO Cc1sc2ccccc2c1C[NH+]1CC(c2ccncc2)C1 ZINC000072162604 176330152 /nfs/dbraw/zinc/33/01/52/176330152.db2.gz AILUSRBLOGWTIL-UHFFFAOYSA-N 1 0 294.423 4.204 50 0 CIAARO CC(C)C[C@@H]1C[NH2+]CCc2c3cc(Cl)ccc3[nH]c21 ZINC000077024469 177154063 /nfs/dbraw/zinc/15/40/63/177154063.db2.gz JGMUVIOQXBQIPQ-LLVKDONJSA-N 1 0 276.811 4.097 50 0 CIAARO Cc1nc(C[N@@H+]2CCCC[C@H]2CCc2cccs2)co1 ZINC000077298390 177249975 /nfs/dbraw/zinc/24/99/75/177249975.db2.gz QYNJDBLUKHAKLM-HNNXBMFYSA-N 1 0 290.432 4.032 50 0 CIAARO CC(C)Sc1ccc([C@@H](C)[NH2+]Cc2cccnc2)cc1 ZINC000078411685 177339356 /nfs/dbraw/zinc/33/93/56/177339356.db2.gz ZXBKPHVPLIVFDN-CQSZACIVSA-N 1 0 286.444 4.433 50 0 CIAARO CC[C@H]([NH3+])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000008698414 260032663 /nfs/dbraw/zinc/03/26/63/260032663.db2.gz JDBPNFXZESJTAH-VIFPVBQESA-N 1 0 271.204 4.134 50 0 CIAARO CC(C)CC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816063 260230407 /nfs/dbraw/zinc/23/04/07/260230407.db2.gz QNQJWHNMTCJUEM-MRXNPFEDSA-N 1 0 256.393 4.181 50 0 CIAARO CC(C)n1ccc(C[NH2+][C@H](c2cccs2)C(C)(C)C)n1 ZINC000071909864 260274620 /nfs/dbraw/zinc/27/46/20/260274620.db2.gz UKTWCLCFBNKNFL-OAHLLOKOSA-N 1 0 291.464 4.403 50 0 CIAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(Cl)cc1 ZINC000020567049 262252271 /nfs/dbraw/zinc/25/22/71/262252271.db2.gz ZHHIPFSFSRDKCB-ZDUSSCGKSA-N 1 0 289.806 4.157 50 0 CIAARO c1ccc(C2CCC(C[N@@H+]3CC[C@]4(CCOC4)C3)CC2)cc1 ZINC000225450484 262372491 /nfs/dbraw/zinc/37/24/91/262372491.db2.gz RVEZLNYTVLQUJA-UUKMXZOPSA-N 1 0 299.458 4.073 50 0 CIAARO Cc1cc(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)cs1 ZINC000534649834 328344185 /nfs/dbraw/zinc/34/41/85/328344185.db2.gz IIPBLSMASNJLNW-AWEZNQCLSA-N 1 0 287.428 4.117 50 0 CIAARO c1ccc(C[NH2+]CCc2cccc3ccccc32)cc1 ZINC000037864225 333541853 /nfs/dbraw/zinc/54/18/53/333541853.db2.gz ZPUKIQVKLCRTCW-UHFFFAOYSA-N 1 0 261.368 4.172 50 0 CIAARO CCCC[NH2+]CCCCCCOc1ccccc1OC ZINC000004997100 520691239 /nfs/dbraw/zinc/69/12/39/520691239.db2.gz PQJSPXGWHGZRTE-UHFFFAOYSA-N 1 0 279.424 4.024 50 0 CIAARO CC(C)Oc1ccc(C[NH2+]Cc2cccs2)cc1Cl ZINC000040731066 567890814 /nfs/dbraw/zinc/89/08/14/567890814.db2.gz DSPRJWADLVOMBD-UHFFFAOYSA-N 1 0 295.835 4.479 50 0 CIAARO CC[NH+](CC)CCNc1nc2c(s1)c(Cl)ccc2C ZINC000070635284 570248753 /nfs/dbraw/zinc/24/87/53/570248753.db2.gz BDKFGCVJACHNTO-UHFFFAOYSA-N 1 0 297.855 4.012 50 0 CIAARO CCOc1ncccc1C[NH2+][C@H](c1cccs1)C(C)C ZINC000241693825 566826328 /nfs/dbraw/zinc/82/63/28/566826328.db2.gz QIALGLJQJUNWRA-HNNXBMFYSA-N 1 0 290.432 4.029 50 0 CIAARO CCOc1ncccc1C[NH2+][C@@H](c1cccs1)C(C)C ZINC000241693826 566826392 /nfs/dbraw/zinc/82/63/92/566826392.db2.gz QIALGLJQJUNWRA-OAHLLOKOSA-N 1 0 290.432 4.029 50 0 CIAARO CCCCCC[C@H](C)[NH2+]Cc1cc(OC)ccc1OC ZINC000034991413 566841717 /nfs/dbraw/zinc/84/17/17/566841717.db2.gz FFTNYIKWUHODMB-AWEZNQCLSA-N 1 0 279.424 4.152 50 0 CIAARO CC1=CC[C@@H]2[C@H](C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]23)C1 ZINC000004027356 566856447 /nfs/dbraw/zinc/85/64/47/566856447.db2.gz GOVTWXUTTQVUJX-KSMMKXTCSA-N 1 0 278.399 4.053 50 0 CIAARO CCCC[C@@H](CC)C(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004027818 566856572 /nfs/dbraw/zinc/85/65/72/566856572.db2.gz SRIUOGOZNQFXLD-IXDOHACOSA-N 1 0 295.467 4.011 50 0 CIAARO c1ccc(C2=[NH+]CC3(CCCC3)c3ccccc32)cc1 ZINC000001322797 566859562 /nfs/dbraw/zinc/85/95/62/566859562.db2.gz FHYAEADOAYWVEZ-UHFFFAOYSA-N 1 0 261.368 4.349 50 0 CIAARO C(=C(c1ccccc1)c1ccccc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000001250501 566859804 /nfs/dbraw/zinc/85/98/04/566859804.db2.gz CBSIZSOUIQPMJQ-HXUWFJFHSA-N 1 0 289.422 4.460 50 0 CIAARO C[C@@H]([NH2+]Cc1ccc(Cl)nc1)[C@@H](C)c1ccccc1 ZINC000083473725 566863868 /nfs/dbraw/zinc/86/38/68/566863868.db2.gz XWOVXHCQBHLQIT-CHWSQXEVSA-N 1 0 274.795 4.017 50 0 CIAARO Cc1cccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000015837419 566921071 /nfs/dbraw/zinc/92/10/71/566921071.db2.gz JLTHJJYFLZTOMJ-SFHVURJKSA-N 1 0 269.363 4.471 50 0 CIAARO Fc1cccc([C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000015837325 566921193 /nfs/dbraw/zinc/92/11/93/566921193.db2.gz MJGNYGQPSOYZJX-QGZVFWFLSA-N 1 0 255.336 4.163 50 0 CIAARO c1ccc(Sc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000075251536 566938040 /nfs/dbraw/zinc/93/80/40/566938040.db2.gz QAWCDKBSGKBUIY-UHFFFAOYSA-N 1 0 269.413 4.434 50 0 CIAARO CCn1ncc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)c1C ZINC000426737515 566992090 /nfs/dbraw/zinc/99/20/90/566992090.db2.gz NBGBGNQIUCTVHT-CQSZACIVSA-N 1 0 283.419 4.035 50 0 CIAARO Cc1cc([C@H]([NH2+][C@H](C)c2ccccn2)C2CC2)ccc1F ZINC000271464505 567032685 /nfs/dbraw/zinc/03/26/85/567032685.db2.gz HTFGZOGLNNGATC-FZKQIMNGSA-N 1 0 284.378 4.331 50 0 CIAARO Cc1cc(Cl)cc(C)c1OCC[NH2+]Cc1ccccc1 ZINC000002822119 567037247 /nfs/dbraw/zinc/03/72/47/567037247.db2.gz FBHTVFRCCTZCAT-UHFFFAOYSA-N 1 0 289.806 4.125 50 0 CIAARO CC(C)[C@H](CC[NH2+]Cc1ccco1)[C@H]1CCOC(C)(C)C1 ZINC000002107561 567043565 /nfs/dbraw/zinc/04/35/65/567043565.db2.gz HNVRQBGJTGWGDS-RDJZCZTQSA-N 1 0 293.451 4.237 50 0 CIAARO Fc1ccccc1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000170642022 567044155 /nfs/dbraw/zinc/04/41/55/567044155.db2.gz SULXONMISICCNM-QGZVFWFLSA-N 1 0 269.363 4.033 50 0 CIAARO C[C@@H]1CC[N@H+](Cc2nc3ccccc3o2)[C@H]2CCCC[C@@H]12 ZINC000252477087 567056762 /nfs/dbraw/zinc/05/67/62/567056762.db2.gz HWVBEEZYQVDRBW-YCPHGPKFSA-N 1 0 284.403 4.228 50 0 CIAARO CCCCN1CCCc2ccc(C[NH2+]Cc3ccco3)cc21 ZINC000252506093 567060353 /nfs/dbraw/zinc/06/03/53/567060353.db2.gz VXYWSWQITRARAE-UHFFFAOYSA-N 1 0 298.430 4.122 50 0 CIAARO Cc1ccccc1-c1cncc(C[NH+]2CCCCC2)c1 ZINC000037553710 567067721 /nfs/dbraw/zinc/06/77/21/567067721.db2.gz USFVVDIMFIJHSP-UHFFFAOYSA-N 1 0 266.388 4.043 50 0 CIAARO Fc1cccc(-c2cncc(C[NH+]3CCCCC3)c2)c1F ZINC000037554228 567067737 /nfs/dbraw/zinc/06/77/37/567067737.db2.gz CVEDLQUSZYCTFX-UHFFFAOYSA-N 1 0 288.341 4.013 50 0 CIAARO c1[nH]c2ccccc2c1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000000105622 567074178 /nfs/dbraw/zinc/07/41/78/567074178.db2.gz PNZUIRPTVJRQQG-UHFFFAOYSA-N 1 0 280.415 4.082 50 0 CIAARO COc1ccc2cc([C@H](C)[NH2+][C@@H]3CCO[C@@H](C)C3)ccc2c1 ZINC000095459387 567133534 /nfs/dbraw/zinc/13/35/34/567133534.db2.gz KAKZJSMFJAMEHX-SUNYJGFJSA-N 1 0 299.414 4.067 50 0 CIAARO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccccc1 ZINC000095447464 567134650 /nfs/dbraw/zinc/13/46/50/567134650.db2.gz ZZUGFYPGUXESIW-KBXCAEBGSA-N 1 0 251.373 4.100 50 0 CIAARO Cc1ccccc1[C@H](SCC[NH+](C)C)c1ccccc1 ZINC000096026389 567137043 /nfs/dbraw/zinc/13/70/43/567137043.db2.gz SZSBCAFGNOJDRX-GOSISDBHSA-N 1 0 285.456 4.379 50 0 CIAARO c1ccc(C[NH2+]CCNc2cccc3ccccc32)cc1 ZINC000096026941 567138699 /nfs/dbraw/zinc/13/86/99/567138699.db2.gz FLLZMIOGDGHUNB-UHFFFAOYSA-N 1 0 276.383 4.042 50 0 CIAARO O=C(c1ccccc1)[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000057599103 567161140 /nfs/dbraw/zinc/16/11/40/567161140.db2.gz COFDBLDWYLXQOO-LJQANCHMSA-N 1 0 293.410 4.487 50 0 CIAARO S=c1oc2ccc(Cl)cc2n1CN1CCCCCC1 ZINC000003287277 567168736 /nfs/dbraw/zinc/16/87/36/567168736.db2.gz HHDNFDGYPNDSQU-UHFFFAOYSA-N 1 0 296.823 4.451 50 0 CIAARO C[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1Cl ZINC000019890803 567211502 /nfs/dbraw/zinc/21/15/02/567211502.db2.gz LRXXRIXDSAEIOR-CYBMUJFWSA-N 1 0 259.780 4.061 50 0 world CIAARO CCc1ccccc1Oc1ccc(Cl)cc1C[NH2+]C ZINC000163610452 567211595 /nfs/dbraw/zinc/21/15/95/567211595.db2.gz WGDSZAJFMCUAGR-UHFFFAOYSA-N 1 0 275.779 4.414 50 0 CIAARO Cc1cc(Nc2cccc3c2OCO3)c2ccccc2[nH+]1 ZINC000000117833 567818755 /nfs/dbraw/zinc/81/87/55/567818755.db2.gz PQXSXMJDVMIGMU-UHFFFAOYSA-N 1 0 278.311 4.016 50 0 CIAARO COc1ccccc1Nc1c2c([nH+]c3ccccc31)CCC2 ZINC000000122832 567819134 /nfs/dbraw/zinc/81/91/34/567819134.db2.gz ANIBUTITUZXEIN-UHFFFAOYSA-N 1 0 290.366 4.476 50 0 CIAARO Cc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)o1 ZINC000000277648 567823521 /nfs/dbraw/zinc/82/35/21/567823521.db2.gz XXRFJVCFFFGORN-UHFFFAOYSA-N 1 0 269.388 4.043 50 0 CIAARO C[NH+](C)CCCN1Cc2ccccc2Sc2ccccc21 ZINC000000347211 567825994 /nfs/dbraw/zinc/82/59/94/567825994.db2.gz JZKFQUAHRQAFFT-UHFFFAOYSA-N 1 0 298.455 4.110 50 0 CIAARO CC[n+]1c(C)c2ccccc2cc1Cc1ccccc1 ZINC000001233048 567836340 /nfs/dbraw/zinc/83/63/40/567836340.db2.gz MFCXKTLXBJFCIR-UHFFFAOYSA-N 1 0 262.376 4.046 50 0 CIAARO CC[NH+](CC)CCCNc1ccnc2cc(Cl)ccc21 ZINC000001542123 567837722 /nfs/dbraw/zinc/83/77/22/567837722.db2.gz NCPLTAGJJVCHOW-UHFFFAOYSA-N 1 0 291.826 4.032 50 0 CIAARO c1ccc(C[NH2+]CC23C[C@@H]4CC(C[C@@H](C4)C2)CC3)cc1 ZINC000001511038 567837735 /nfs/dbraw/zinc/83/77/35/567837735.db2.gz WMXRFRSPFVJKRZ-FXSDRFNOSA-N 1 0 269.432 4.383 50 0 CIAARO Cc1ccc(C)c(C(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000002514567 567846281 /nfs/dbraw/zinc/84/62/81/567846281.db2.gz AJCVTGYEFSRIML-UHFFFAOYSA-N 1 0 293.410 4.130 50 0 CIAARO O=C(c1cccc(C[NH+]2CCCCC2)c1)C1CCCCC1 ZINC000002515041 567846353 /nfs/dbraw/zinc/84/63/53/567846353.db2.gz PQKLYWOIJMNUNL-UHFFFAOYSA-N 1 0 285.431 4.436 50 0 CIAARO O=C(c1ccc(Cl)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000002514562 567846389 /nfs/dbraw/zinc/84/63/89/567846389.db2.gz CMCXXQWYALMYCH-UHFFFAOYSA-N 1 0 299.801 4.167 50 0 CIAARO Cc1ccc(C)c(C(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000002515068 567846668 /nfs/dbraw/zinc/84/66/68/567846668.db2.gz UAMGRWVIOSAPKL-UHFFFAOYSA-N 1 0 293.410 4.130 50 0 CIAARO Cc1ccc(C(=O)c2cccc(C[NH+]3CCCC3)c2)cc1C ZINC000002515070 567846817 /nfs/dbraw/zinc/84/68/17/567846817.db2.gz MCULUOONUTZSBM-UHFFFAOYSA-N 1 0 293.410 4.130 50 0 CIAARO Cc1cccc(C(=O)c2cccc(C[NH+]3CCCC3)c2)c1C ZINC000002515066 567846942 /nfs/dbraw/zinc/84/69/42/567846942.db2.gz OITALFBLQZTBLB-UHFFFAOYSA-N 1 0 293.410 4.130 50 0 CIAARO c1ccc(Oc2ccc(C[C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000002555486 567848214 /nfs/dbraw/zinc/84/82/14/567848214.db2.gz UTBQKZSFRVPFLG-MRXNPFEDSA-N 1 0 267.372 4.021 50 0 CIAARO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C)cc1Cl ZINC000002885307 567850139 /nfs/dbraw/zinc/85/01/39/567850139.db2.gz MERLVJMFSXTKMC-FZMZJTMJSA-N 1 0 267.800 4.017 50 0 CIAARO CCc1ccc(OCCCCC[NH+](CC)CC)cc1 ZINC000002899662 567850375 /nfs/dbraw/zinc/85/03/75/567850375.db2.gz NBIFQSVHUHIGDE-UHFFFAOYSA-N 1 0 263.425 4.140 50 0 CIAARO Cc1ccc(OCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)c1 ZINC000003003942 567851389 /nfs/dbraw/zinc/85/13/89/567851389.db2.gz UIOZNEORVGOKOX-IAGOWNOFSA-N 1 0 289.463 4.440 50 0 CIAARO CCCCNC(=[NH2+])[C@H](C)c1ccc(CC(C)C)cc1 ZINC000003636322 567853227 /nfs/dbraw/zinc/85/32/27/567853227.db2.gz QBYOWULMLIZGIZ-CQSZACIVSA-N 1 0 260.425 4.356 50 0 CIAARO O=C(Cc1ccccc1)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000003845169 567853377 /nfs/dbraw/zinc/85/33/77/567853377.db2.gz IQYUUNSUUQFPGM-FQEVSTJZSA-N 1 0 293.410 4.025 50 0 CIAARO C[C@@H](CCCC(C)(C)O)[NH2+]C1CCCCCCC1 ZINC000003683522 567853491 /nfs/dbraw/zinc/85/34/91/567853491.db2.gz PQGXKQJOZYJNGB-AWEZNQCLSA-N 1 0 255.446 4.019 50 0 CIAARO c1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000004122126 567855554 /nfs/dbraw/zinc/85/55/54/567855554.db2.gz QMADAVRWWKURQT-GOSISDBHSA-N 1 0 251.373 4.066 50 0 CIAARO COc1ccccc1/C=C/C1=[N+](C)c2ccccc2C1(C)C ZINC000004173406 567855787 /nfs/dbraw/zinc/85/57/87/567855787.db2.gz AZCYTLHGYSFTHR-BUHFOSPRSA-N 1 0 292.402 4.415 50 0 CIAARO C[C@@H](C[NH+](C)C)N1c2ccccc2Sc2ccccc21 ZINC000005141517 567859569 /nfs/dbraw/zinc/85/95/69/567859569.db2.gz CGNHCKZJGQDWBG-ZDUSSCGKSA-N 1 0 284.428 4.239 50 0 in-vitro CIAARO CCOc1cccc(C[NH2+]C(C)C)c1OCc1ccccc1 ZINC000010436278 567861690 /nfs/dbraw/zinc/86/16/90/567861690.db2.gz VVJPNESVSGXXSU-UHFFFAOYSA-N 1 0 299.414 4.162 50 0 CIAARO Cc1c([C@H](C)[NH2+]Cc2ccccc2)cnn1-c1ccccc1 ZINC000011998683 567862232 /nfs/dbraw/zinc/86/22/32/567862232.db2.gz RVTPICDSUOOGMU-HNNXBMFYSA-N 1 0 291.398 4.032 50 0 CIAARO Cc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000012244598 567862624 /nfs/dbraw/zinc/86/26/24/567862624.db2.gz VGXUDYQFQLLKJY-KRWDZBQOSA-N 1 0 297.446 4.221 50 0 CIAARO c1ccc([C@H]2CCC[N@@H+](C3CCSCC3)CC2)cc1 ZINC000032590432 567863644 /nfs/dbraw/zinc/86/36/44/567863644.db2.gz YQZGZWFMBCKWRR-INIZCTEOSA-N 1 0 275.461 4.152 50 0 CIAARO C[N+]1=C(c2ccccc2)C(=S)SC1c1ccccc1 ZINC000013111845 567864686 /nfs/dbraw/zinc/86/46/86/567864686.db2.gz XZQWGQGBFPZZFU-UHFFFAOYSA-O 1 0 284.429 4.195 50 0 CIAARO c1cnc(Oc2cccc(C[NH2+]C3CCCCCC3)c2)nc1 ZINC000013731645 567867467 /nfs/dbraw/zinc/86/74/67/567867467.db2.gz SGOOYQXRLUUDKR-UHFFFAOYSA-N 1 0 297.402 4.081 50 0 CIAARO CCOc1cc(C[NH2+]C(C)(C)CC)cc(Cl)c1OC ZINC000013724880 567867574 /nfs/dbraw/zinc/86/75/74/567867574.db2.gz RQGDIBIMANHGOG-UHFFFAOYSA-N 1 0 285.815 4.026 50 0 CIAARO CCOc1ccc(C[NH2+]CCC2=CCCCC2)cc1OC ZINC000013723730 567867595 /nfs/dbraw/zinc/86/75/95/567867595.db2.gz WBCMYBDPRBBDSC-UHFFFAOYSA-N 1 0 289.419 4.074 50 0 CIAARO Cc1cccc(N2CC[NH+]([C@H](C)c3ccc(F)cc3)CC2)c1 ZINC000032851058 567869440 /nfs/dbraw/zinc/86/94/40/567869440.db2.gz SMJRFRPXYWAQOK-MRXNPFEDSA-N 1 0 298.405 4.017 50 0 CIAARO Cc1ccc(-c2nc(C[N@@H+](C)C3CCCCC3)co2)cc1 ZINC000032909402 567871913 /nfs/dbraw/zinc/87/19/13/567871913.db2.gz TYLYQXXDEOVVPS-UHFFFAOYSA-N 1 0 284.403 4.415 50 0 CIAARO Clc1cccc(C[NH2+]Cc2ccccc2Cl)c1 ZINC000016449759 567872869 /nfs/dbraw/zinc/87/28/69/567872869.db2.gz VQCJHXBVPHFBDN-UHFFFAOYSA-N 1 0 266.171 4.283 50 0 CIAARO FC(F)(F)c1ccccc1C[NH2+]C1CCCCC1 ZINC000019878851 567879620 /nfs/dbraw/zinc/87/96/20/567879620.db2.gz GATPFSXDHWCQJT-UHFFFAOYSA-N 1 0 257.299 4.128 50 0 CIAARO CCOCCCNc1cc(C)c2ccc(Cl)cc2n1 ZINC000023634091 567881842 /nfs/dbraw/zinc/88/18/42/567881842.db2.gz XTKNZGQZSKKEDD-UHFFFAOYSA-N 1 0 278.783 4.035 50 0 CIAARO COc1ccc(C[N@@H+]2CCCC[C@H]2C)c2ccccc12 ZINC000023281829 567881906 /nfs/dbraw/zinc/88/19/06/567881906.db2.gz ZZHOGXPKZXKKGB-CQSZACIVSA-N 1 0 269.388 4.223 50 0 CIAARO c1ccc(Oc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000023281878 567882134 /nfs/dbraw/zinc/88/21/34/567882134.db2.gz IEQLWEBUJHENPH-UHFFFAOYSA-N 1 0 253.345 4.075 50 0 CIAARO C[NH2+]Cc1cc(F)ccc1Oc1ccc(SC)cc1 ZINC000104332558 567882493 /nfs/dbraw/zinc/88/24/93/567882493.db2.gz DDDDRYKVRJMGER-UHFFFAOYSA-N 1 0 277.364 4.059 50 0 CIAARO Clc1ccc(Cc2nc3ccccc3[nH]2)cc1Cl ZINC000026894016 567883270 /nfs/dbraw/zinc/88/32/70/567883270.db2.gz XPFCXIKQEQOMMW-UHFFFAOYSA-N 1 0 277.154 4.461 50 0 CIAARO C[N@H+](Cc1nc2ccccc2o1)[C@@H]1CCCc2ccccc21 ZINC000027906188 567883508 /nfs/dbraw/zinc/88/35/08/567883508.db2.gz VSUDADHOABRCQT-QGZVFWFLSA-N 1 0 292.382 4.337 50 0 CIAARO CC(C)Oc1ccccc1C[NH2+][C@H](C)c1ccccc1 ZINC000032117765 567885795 /nfs/dbraw/zinc/88/57/95/567885795.db2.gz QDIXVWNFHMSIQY-OAHLLOKOSA-N 1 0 269.388 4.325 50 0 CIAARO CC(C)Oc1ccccc1C[NH2+][C@@H](C)c1ccccc1 ZINC000032117762 567885916 /nfs/dbraw/zinc/88/59/16/567885916.db2.gz QDIXVWNFHMSIQY-HNNXBMFYSA-N 1 0 269.388 4.325 50 0 CIAARO Cc1nn(C)cc1C[N@@H+]1CCCCC[C@@H]1c1cccc(C)c1 ZINC000033087099 567886318 /nfs/dbraw/zinc/88/63/18/567886318.db2.gz CNSHYGLPJOADDN-LJQANCHMSA-N 1 0 297.446 4.154 50 0 CIAARO C[C@H](CCCC(C)(C)O)CC[NH2+][C@H](C)Cc1ccsc1 ZINC000032603596 567886412 /nfs/dbraw/zinc/88/64/12/567886412.db2.gz CQDXXQXLAOKWOK-HUUCEWRRSA-N 1 0 297.508 4.236 50 0 CIAARO Cc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(Cl)cc1 ZINC000033716482 567887111 /nfs/dbraw/zinc/88/71/11/567887111.db2.gz MYDMZCBPIPOOQR-KRWDZBQOSA-N 1 0 296.801 4.365 50 0 CIAARO COc1ccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000000212134 567887559 /nfs/dbraw/zinc/88/75/59/567887559.db2.gz BJMNPUUJVSOFFL-UHFFFAOYSA-N 1 0 297.373 4.124 50 0 CIAARO CC[NH2+]Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1 ZINC000034656872 567888844 /nfs/dbraw/zinc/88/88/44/567888844.db2.gz LPWUILOCXBEMQG-UHFFFAOYSA-N 1 0 283.415 4.300 50 0 CIAARO C[NH2+]C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000035102082 567888989 /nfs/dbraw/zinc/88/89/89/567888989.db2.gz PJXQWGJZSHIKTF-UHFFFAOYSA-N 1 0 266.171 4.302 50 0 CIAARO FC(F)(F)c1ccccc1-c1ccc(C[NH2+]C2CC2)o1 ZINC000036818820 567889628 /nfs/dbraw/zinc/88/96/28/567889628.db2.gz RNJWWYQJGXGSNN-UHFFFAOYSA-N 1 0 281.277 4.217 50 0 CIAARO C[C@H]([NH2+]C1CCCC1)c1ccc(Br)s1 ZINC000038001605 567890335 /nfs/dbraw/zinc/89/03/35/567890335.db2.gz BLCDDBWGELDAFU-QMMMGPOBSA-N 1 0 274.227 4.104 50 0 CIAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OC(C)C ZINC000040730344 567890811 /nfs/dbraw/zinc/89/08/11/567890811.db2.gz DNEQTKHFRLFWIF-LLVKDONJSA-N 1 0 255.789 4.015 50 0 CIAARO CC(C)Oc1ccc(C[NH2+]Cc2ccco2)cc1Cl ZINC000040731142 567890844 /nfs/dbraw/zinc/89/08/44/567890844.db2.gz COVRZURVAQGZNC-UHFFFAOYSA-N 1 0 279.767 4.010 50 0 CIAARO Clc1ccc(OCC[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC000042773343 567891674 /nfs/dbraw/zinc/89/16/74/567891674.db2.gz UCEVMKSXYQMLLL-ZDUSSCGKSA-N 1 0 289.806 4.262 50 0 CIAARO Cc1cc(C(C)(C)C)ccc1OCC[C@H]1CCC[NH2+]C1 ZINC000042770707 567891754 /nfs/dbraw/zinc/89/17/54/567891754.db2.gz YLJVHKKVJSMOOZ-OAHLLOKOSA-N 1 0 275.436 4.061 50 0 CIAARO C1C2CC3CC1CC(C2)C3[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000004616184 567894081 /nfs/dbraw/zinc/89/40/81/567894081.db2.gz OSTSHOUBNPOTLW-UHFFFAOYSA-N 1 0 285.475 4.370 50 0 CIAARO CC(C)OCCC[NH2+]Cc1cn(C(C)C)c2ccccc12 ZINC000057353261 567895047 /nfs/dbraw/zinc/89/50/47/567895047.db2.gz DCTWOSFRMUYQKE-UHFFFAOYSA-N 1 0 288.435 4.127 50 0 CIAARO CC[NH2+]Cc1cn(Cc2ccccc2C)c2ccccc12 ZINC000057353166 567895142 /nfs/dbraw/zinc/89/51/42/567895142.db2.gz YZAJTRMPEMZKRD-UHFFFAOYSA-N 1 0 278.399 4.108 50 0 CIAARO Cc1cccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)no2)c1 ZINC000064667097 567897972 /nfs/dbraw/zinc/89/79/72/567897972.db2.gz MVSSAHBTDPBKJX-QGZVFWFLSA-N 1 0 284.403 4.444 50 0 CIAARO Cc1cc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)cnc1N ZINC000065381690 567898514 /nfs/dbraw/zinc/89/85/14/567898514.db2.gz DAOFZLXFNUYGNF-HNNXBMFYSA-N 1 0 295.430 4.186 50 0 CIAARO CC(C)(C)c1ccc(-c2noc(C[NH2+]C3CCCC3)n2)cc1 ZINC000065425316 567899120 /nfs/dbraw/zinc/89/91/20/567899120.db2.gz PGWNHBVLFIULFH-UHFFFAOYSA-N 1 0 299.418 4.066 50 0 CIAARO CC[C@H](c1ccccn1)[N@H+](C)Cc1ccc(F)c(C)c1 ZINC000065509322 567899543 /nfs/dbraw/zinc/89/95/43/567899543.db2.gz LFWYJVJURFIPMJ-QGZVFWFLSA-N 1 0 272.367 4.112 50 0 CIAARO c1ccc(C[NH2+]CCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004644894 567899893 /nfs/dbraw/zinc/89/98/93/567899893.db2.gz ZQJIJVIRZISQJK-UHFFFAOYSA-N 1 0 269.432 4.383 50 0 CIAARO Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@H]2C[C@@H]1CCC2 ZINC000067850080 567900444 /nfs/dbraw/zinc/90/04/44/567900444.db2.gz AWHIDXKJVJUAES-OLZOCXBDSA-N 1 0 288.416 4.086 50 0 CIAARO CC[C@@H](C)c1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000248194487 567928785 /nfs/dbraw/zinc/92/87/85/567928785.db2.gz OBVNVHPGQBFZSE-HUUCEWRRSA-N 1 0 288.435 4.013 50 0 CIAARO c1[nH]c2ccccc2c1CC[NH2+]C1CCCCCC1 ZINC000000220398 567935694 /nfs/dbraw/zinc/93/56/94/567935694.db2.gz SNGQRZHEZZNOHN-UHFFFAOYSA-N 1 0 256.393 4.023 50 0 CIAARO COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C)cc1 ZINC000004022951 567938074 /nfs/dbraw/zinc/93/80/74/567938074.db2.gz YYMKRIBXWAIABL-RVKKMQEKSA-N 1 0 275.436 4.185 50 0 CIAARO COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)cc1 ZINC000004022952 567938133 /nfs/dbraw/zinc/93/81/33/567938133.db2.gz YYMKRIBXWAIABL-RLFYNMQTSA-N 1 0 275.436 4.185 50 0 CIAARO CCCOP(=O)(CN(C)Cc1ccccc1)OCCC ZINC000097929749 567939171 /nfs/dbraw/zinc/93/91/71/567939171.db2.gz YLFDNUVDWCVZRY-UHFFFAOYSA-N 1 0 299.351 4.122 50 0 CIAARO CCOc1ccc(C[NH2+]Cc2ccccc2)cc1Cl ZINC000010436501 567939786 /nfs/dbraw/zinc/93/97/86/567939786.db2.gz RULSVMFHPKCJFI-UHFFFAOYSA-N 1 0 275.779 4.029 50 0 CIAARO COc1ccccc1C[NH2+]Cc1ccc(C(C)C)cc1 ZINC000013718282 567942047 /nfs/dbraw/zinc/94/20/47/567942047.db2.gz WUAKIRWIOHFGKC-UHFFFAOYSA-N 1 0 269.388 4.108 50 0 CIAARO CCc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)cc1 ZINC000013717993 567942052 /nfs/dbraw/zinc/94/20/52/567942052.db2.gz WHSKPRAJYAFURM-INIZCTEOSA-N 1 0 267.416 4.360 50 0 CIAARO C[C@H](CCc1ccccc1)[NH2+]Cc1cccc(Cl)c1 ZINC000013726240 567942072 /nfs/dbraw/zinc/94/20/72/567942072.db2.gz IQOMSQVMXJSIHT-CQSZACIVSA-N 1 0 273.807 4.451 50 0 CIAARO CCOc1cc(C[N@H+](CC)Cc2ccccc2)ccc1OC ZINC000023281618 567948688 /nfs/dbraw/zinc/94/86/88/567948688.db2.gz GDPUMVPQAQTJHH-UHFFFAOYSA-N 1 0 299.414 4.116 50 0 CIAARO c1ccc(C2CCC(C[N@@H+]3CC[C@@]4(CCOC4)C3)CC2)cc1 ZINC000225450448 567953605 /nfs/dbraw/zinc/95/36/05/567953605.db2.gz RVEZLNYTVLQUJA-LYBXBRPPSA-N 1 0 299.458 4.073 50 0 CIAARO CCC[NH2+]Cc1cccc(OCc2cccc(C)c2)c1 ZINC000032117734 567955649 /nfs/dbraw/zinc/95/56/49/567955649.db2.gz RUFKIIMHNQONFA-UHFFFAOYSA-N 1 0 269.388 4.074 50 0 CIAARO CCC[NH2+]Cc1ccccc1OCc1cccc(C)c1 ZINC000032117721 567955863 /nfs/dbraw/zinc/95/58/63/567955863.db2.gz ORHNWRGGHPNIOT-UHFFFAOYSA-N 1 0 269.388 4.074 50 0 CIAARO CC(C)[NH2+]Cc1ccccc1OCc1cccc(Cl)c1 ZINC000032145924 567955898 /nfs/dbraw/zinc/95/58/98/567955898.db2.gz VNGACOWOYAHPGT-UHFFFAOYSA-N 1 0 289.806 4.417 50 0 CIAARO Oc1ccc([C@H]([NH2+]Cc2ccsc2)c2ccccc2)cc1 ZINC000058180797 567956191 /nfs/dbraw/zinc/95/61/91/567956191.db2.gz VAPJGXATUJLOFT-GOSISDBHSA-N 1 0 295.407 4.333 50 0 CIAARO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000011839946 570220573 /nfs/dbraw/zinc/22/05/73/570220573.db2.gz CVYWQMRDUUMZCA-CYBMUJFWSA-N 1 0 291.822 4.096 50 0 CIAARO Clc1ccc(C2(C[NH2+]C3CC3)CCC2)cc1Cl ZINC000053739099 570239568 /nfs/dbraw/zinc/23/95/68/570239568.db2.gz WJJLRLFEVRBLQB-UHFFFAOYSA-N 1 0 270.203 4.167 50 0 CIAARO C[N@@H+]1CCCC(=C(c2cccs2)c2cccs2)C1 ZINC000055161150 570241274 /nfs/dbraw/zinc/24/12/74/570241274.db2.gz JWIXXNLOKOAAQT-UHFFFAOYSA-N 1 0 275.442 4.337 50 0 in-man CIAARO C/C(=C\c1ccccc1)C[N@@H+](C)[C@@H](C)c1c(C)n[nH]c1C ZINC000067432876 570246344 /nfs/dbraw/zinc/24/63/44/570246344.db2.gz LHQPBKGTXKPQGK-BYIUCRAPSA-N 1 0 283.419 4.123 50 0 CIAARO C[C@@H]([NH2+]C1(c2ccccc2)CCCC1)c1cncc(F)c1 ZINC000097037787 570251816 /nfs/dbraw/zinc/25/18/16/570251816.db2.gz BVQWXHVTPNCRDA-CQSZACIVSA-N 1 0 284.378 4.341 50 0 CIAARO CCCC[NH2+]CCOc1cc(C)ccc1C(C)(C)C ZINC000003002112 570278684 /nfs/dbraw/zinc/27/86/84/570278684.db2.gz KKUNRMASQAMLDT-UHFFFAOYSA-N 1 0 263.425 4.061 50 0 CIAARO Cc1cc(OCCC[NH2+]C(C)(C)C)ccc1C(C)C ZINC000003003356 570278674 /nfs/dbraw/zinc/27/86/74/570278674.db2.gz HQRLMIWFXANIIP-UHFFFAOYSA-N 1 0 263.425 4.275 50 0 CIAARO CC1=CC(=C2Nc3cc(F)ccc3N2C(C)C)C=CC1=[NH2+] ZINC000102527294 570284741 /nfs/dbraw/zinc/28/47/41/570284741.db2.gz WQYDNKOZJDKLIH-AAFSMTHXSA-N 1 0 283.350 4.213 50 0 CIAARO CC[NH2+]Cc1ccccc1OCc1c(F)cccc1Cl ZINC000033448303 570316013 /nfs/dbraw/zinc/31/60/13/570316013.db2.gz FHUFSMRYCCSYBS-UHFFFAOYSA-N 1 0 293.769 4.168 50 0 CIAARO CCCc1ccc([C@@H](OCC[NH+](C)C)c2ccccc2)cc1 ZINC000001999758 570326701 /nfs/dbraw/zinc/32/67/01/570326701.db2.gz GUJASMDPCFJPDI-FQEVSTJZSA-N 1 0 297.442 4.307 50 0 CIAARO C[NH+](C)CCCn1c2ccccc2c2ccc(Cl)cc21 ZINC000002006667 570326830 /nfs/dbraw/zinc/32/68/30/570326830.db2.gz MLFOCGZMUMLCHF-UHFFFAOYSA-N 1 0 286.806 4.400 50 0 CIAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(F)c2)cc1 ZINC000015836912 570344036 /nfs/dbraw/zinc/34/40/36/570344036.db2.gz ZYLSCHGUTDWXFM-GOSISDBHSA-N 1 0 285.362 4.171 50 0 CIAARO [NH3+][C@H](CCCc1ccccc1)c1ccc2c(c1)CCCO2 ZINC000004063856 230368368 /nfs/dbraw/zinc/36/83/68/230368368.db2.gz ULWCTBBMVRCBSH-GOSISDBHSA-N 1 0 281.399 4.034 50 0 CIAARO CC[NH2+]CCO[C@H](c1ccccc1)c1ccccc1Cl ZINC000095918051 185031109 /nfs/dbraw/zinc/03/11/09/185031109.db2.gz YNEFHOVTTVNWPS-QGZVFWFLSA-N 1 0 289.806 4.056 50 0 CIAARO CC[C@H]([NH2+][C@@H]1CCc2ccc(C)cc21)c1c(C)nn(C)c1C ZINC000095968718 185048031 /nfs/dbraw/zinc/04/80/31/185048031.db2.gz DRQBZCDTSLSTJW-ZWKOTPCHSA-N 1 0 297.446 4.074 50 0 CIAARO Clc1cccc(Cl)c1SC[C@H]1CCCC[NH2+]1 ZINC000083308932 178380152 /nfs/dbraw/zinc/38/01/52/178380152.db2.gz FBRUBIJXXVADMG-SECBINFHSA-N 1 0 276.232 4.228 50 0 CIAARO Cc1noc(C)c1-c1cccc([C@H](C)[NH+]2CCCC2)c1 ZINC000096149874 185107293 /nfs/dbraw/zinc/10/72/93/185107293.db2.gz KDBUUIDWRHEVAR-ZDUSSCGKSA-N 1 0 270.376 4.115 50 0 CIAARO C[C@H]([NH2+]CCc1ccc(O)cc1)c1cccc2ccccc21 ZINC000096999127 185150100 /nfs/dbraw/zinc/15/01/00/185150100.db2.gz VFSHGKAMVHEDMO-HNNXBMFYSA-N 1 0 291.394 4.439 50 0 CIAARO Cc1cccc(NC2CC[NH+]([C@@H](C)c3ccccn3)CC2)c1 ZINC000097012429 185151709 /nfs/dbraw/zinc/15/17/09/185151709.db2.gz XOWREDIQQUVMQR-INIZCTEOSA-N 1 0 295.430 4.028 50 0 CIAARO Cc1nccn1CCCC[NH2+][C@@H](c1cccs1)C(C)C ZINC000225531619 189756349 /nfs/dbraw/zinc/75/63/49/189756349.db2.gz LKDUFZKABVLZGL-MRXNPFEDSA-N 1 0 291.464 4.020 50 0 CIAARO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccccc2)C[C@@H](C(C)C)O1 ZINC000524732889 256785040 /nfs/dbraw/zinc/78/50/40/256785040.db2.gz XNEJXRWEOOINRU-BCDXTJNWSA-N 1 0 275.436 4.004 50 0 CIAARO C(=C(c1ccccc1)c1ccccc1)[C@H]1C[NH+]2CCC1CC2 ZINC000001250500 169692799 /nfs/dbraw/zinc/69/27/99/169692799.db2.gz CBSIZSOUIQPMJQ-FQEVSTJZSA-N 1 0 289.422 4.460 50 0 CIAARO Cc1cc(C)c(C)c(OCCCCC[NH+]2CCCC2)c1 ZINC000002494134 169794984 /nfs/dbraw/zinc/79/49/84/169794984.db2.gz FPYRGVPQRHCLDP-UHFFFAOYSA-N 1 0 275.436 4.257 50 0 CIAARO Cc1ccccc1OCCCCCC[NH+]1CCCC1 ZINC000002496740 169795505 /nfs/dbraw/zinc/79/55/05/169795505.db2.gz QDBQNSOJJKQMFX-UHFFFAOYSA-N 1 0 261.409 4.030 50 0 CIAARO [NH3+][C@@H](Cc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000002506617 169796609 /nfs/dbraw/zinc/79/66/09/169796609.db2.gz HPRWGZYKYRRJNU-FQEVSTJZSA-N 1 0 287.406 4.389 50 0 CIAARO CC[C@@H](C)c1ccc(OCCC[NH2+][C@@H](C)CC)cc1 ZINC000002823222 169834500 /nfs/dbraw/zinc/83/45/00/169834500.db2.gz LJACMFNQOUMSSE-CABCVRRESA-N 1 0 263.425 4.357 50 0 CIAARO Cc1ccc(C)c(OCCCCC[NH+]2CCCCC2)c1 ZINC000002896644 169842686 /nfs/dbraw/zinc/84/26/86/169842686.db2.gz DFUPTGSEWFJVAU-UHFFFAOYSA-N 1 0 275.436 4.338 50 0 CIAARO CCCC[NH2+]CCCCCOc1ccc(C)cc1C ZINC000002899637 169842876 /nfs/dbraw/zinc/84/28/76/169842876.db2.gz HOXPYMFJYFKBMF-UHFFFAOYSA-N 1 0 263.425 4.242 50 0 CIAARO CCCC[NH2+][C@H](C)CC[C@H](C)Oc1ccccc1C ZINC000002931761 169844613 /nfs/dbraw/zinc/84/46/13/169844613.db2.gz HZERXGCDHSVEFF-CVEARBPZSA-N 1 0 263.425 4.321 50 0 CIAARO CC[NH+](CC)CCCCOc1c(C)cc(C)cc1Cl ZINC000002931959 169844620 /nfs/dbraw/zinc/84/46/20/169844620.db2.gz CCQLNYXRJVFHLU-UHFFFAOYSA-N 1 0 283.843 4.458 50 0 CIAARO CCCC[NH2+]CCCCOc1c(C)ccc(C)c1C ZINC000002933254 169845106 /nfs/dbraw/zinc/84/51/06/169845106.db2.gz GKQIFHDATVYLPG-UHFFFAOYSA-N 1 0 263.425 4.161 50 0 CIAARO CCCC[NH2+]CCCOc1cc(C)cc(C(C)C)c1 ZINC000003000684 169848710 /nfs/dbraw/zinc/84/87/10/169848710.db2.gz BLRSFSLIOLSDSP-UHFFFAOYSA-N 1 0 263.425 4.277 50 0 CIAARO CCCC[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000003003233 169849077 /nfs/dbraw/zinc/84/90/77/169849077.db2.gz MFPKDUIMNIPMSH-UHFFFAOYSA-N 1 0 269.388 4.122 50 0 CIAARO Cc1cc(C)c(OCCC[NH2+]C(C)(C)C)c(Cl)c1 ZINC000003388082 169884172 /nfs/dbraw/zinc/88/41/72/169884172.db2.gz QDTFCSXOIFXQQE-UHFFFAOYSA-N 1 0 269.816 4.114 50 0 CIAARO COc1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1 ZINC000004426548 169967834 /nfs/dbraw/zinc/96/78/34/169967834.db2.gz AESIHUSCPZMZBD-SDNWHVSQSA-N 1 0 292.402 4.415 50 0 CIAARO Cc1ccc(-c2c[nH+]c(NCc3ccccc3F)n2C)cc1 ZINC000004678466 169997269 /nfs/dbraw/zinc/99/72/69/169997269.db2.gz ISBFRBWHORQWRK-UHFFFAOYSA-N 1 0 295.361 4.147 50 0 CIAARO CCOc1ccc(C[NH2+][C@@H]2CCCc3ccccc32)cc1 ZINC000004700563 170001428 /nfs/dbraw/zinc/00/14/28/170001428.db2.gz ZGLBNSCDBAFBGC-LJQANCHMSA-N 1 0 281.399 4.253 50 0 CIAARO Cc1ccc(OCC[N@H+]2CCC[C@H](C)C2)c(C(C)(C)C)c1 ZINC000004845411 170029327 /nfs/dbraw/zinc/02/93/27/170029327.db2.gz VDEHWATYOOLXTD-INIZCTEOSA-N 1 0 289.463 4.403 50 0 CIAARO C[C@@H](C[NH2+]Cc1ccco1)COc1cccc2ccccc21 ZINC000004863133 170031967 /nfs/dbraw/zinc/03/19/67/170031967.db2.gz OYZIZJFUBNLSCM-HNNXBMFYSA-N 1 0 295.382 4.238 50 0 CIAARO CCOc1ccc(C[NH2+]C2CCC(C)CC2)cc1OCC ZINC000004868902 170034303 /nfs/dbraw/zinc/03/43/03/170034303.db2.gz ULDLSINPJRTFBJ-UHFFFAOYSA-N 1 0 291.435 4.152 50 0 CIAARO CC[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(C)O ZINC000004898906 170037719 /nfs/dbraw/zinc/03/77/19/170037719.db2.gz HLZZWYXFUPJRKG-FUMNGEBKSA-N 1 0 295.426 4.240 50 0 CIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000004914477 170040673 /nfs/dbraw/zinc/04/06/73/170040673.db2.gz DKFNWXGOOBDMPS-IYBDPMFKSA-N 1 0 283.415 4.197 50 0 CIAARO CCCCOc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000004987627 170049462 /nfs/dbraw/zinc/04/94/62/170049462.db2.gz GIHWMVAHCIUWMD-OAHLLOKOSA-N 1 0 261.409 4.097 50 0 CIAARO COc1ccc(C[C@@H](C)[NH2+]C[C@H](C)c2ccccc2)cc1 ZINC000004989194 170049778 /nfs/dbraw/zinc/04/97/78/170049778.db2.gz YOCAPZFWIBUVBR-JKSUJKDBSA-N 1 0 283.415 4.020 50 0 CIAARO COc1ccc(CC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000004989374 170050186 /nfs/dbraw/zinc/05/01/86/170050186.db2.gz SCBMIRQPTJCGQS-MRXNPFEDSA-N 1 0 283.415 4.148 50 0 CIAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+]CCc2ccccc2)o1 ZINC000005031713 170058832 /nfs/dbraw/zinc/05/88/32/170058832.db2.gz MLJUFFMOXHOUKF-HNNXBMFYSA-N 1 0 285.431 4.477 50 0 CIAARO CCCCCCOCC[NH+](CCCC)CCCC ZINC000005418151 170096764 /nfs/dbraw/zinc/09/67/64/170096764.db2.gz DSWLPHADRGJXSG-UHFFFAOYSA-N 1 0 257.462 4.486 50 0 CIAARO CCCCCC[n+]1ccc(Cc2ccccc2)cc1 ZINC000005463077 170101563 /nfs/dbraw/zinc/10/15/63/170101563.db2.gz YEWNSTVOQIBIFV-UHFFFAOYSA-N 1 0 254.397 4.145 50 0 CIAARO Cc1ccc2[nH+]c(C)cc(Nc3ccc(O)cc3)c2c1 ZINC000005750734 170137085 /nfs/dbraw/zinc/13/70/85/170137085.db2.gz IQIUHOOGLMDJIJ-UHFFFAOYSA-N 1 0 264.328 4.301 50 0 CIAARO CC(C)C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000005817298 170142954 /nfs/dbraw/zinc/14/29/54/170142954.db2.gz KZOPWTVBZVCVLE-UHFFFAOYSA-N 1 0 269.388 4.011 50 0 CIAARO CC[C@H](C)[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000005907946 170153594 /nfs/dbraw/zinc/15/35/94/170153594.db2.gz KAAYIFLLVUNKHC-AWEZNQCLSA-N 1 0 287.378 4.293 50 0 CIAARO CC[C@@H](C)[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000005907295 170153683 /nfs/dbraw/zinc/15/36/83/170153683.db2.gz VITXQMKLAQUXGZ-CQSZACIVSA-N 1 0 287.378 4.293 50 0 CIAARO C[C@H]([NH2+]Cc1ccc(Br)cc1)c1ccccc1 ZINC000005912043 170154474 /nfs/dbraw/zinc/15/44/74/170154474.db2.gz KLNKNATWEARTSH-LBPRGKRZSA-N 1 0 290.204 4.300 50 0 CIAARO [NH2+]=C(NCc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000005944186 170160518 /nfs/dbraw/zinc/16/05/18/170160518.db2.gz MMFGVFZSLAQWCG-UHFFFAOYSA-N 1 0 279.170 4.109 50 0 CIAARO COc1ccc(Cl)cc1C[NH2+][C@@H](C)c1ccccc1 ZINC000006730253 170234773 /nfs/dbraw/zinc/23/47/73/170234773.db2.gz XDXKWIONMXWMCP-LBPRGKRZSA-N 1 0 275.779 4.199 50 0 CIAARO C[C@@H]([NH2+]Cc1c[nH]c2ccccc12)c1ccccc1 ZINC000006795580 170244899 /nfs/dbraw/zinc/24/48/99/170244899.db2.gz QRDBVPJGBQYKAS-CYBMUJFWSA-N 1 0 250.345 4.019 50 0 CIAARO CCC[NH+](CCC)Cc1csc2c1CCCC2 ZINC000006857769 170250357 /nfs/dbraw/zinc/25/03/57/170250357.db2.gz IUQPTWCISDGTHF-UHFFFAOYSA-N 1 0 251.439 4.249 50 0 CIAARO CC(C)(C)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000006882569 170252649 /nfs/dbraw/zinc/25/26/49/170252649.db2.gz SYZAQRMUKFYWCC-UHFFFAOYSA-N 1 0 263.768 4.488 50 0 CIAARO CC[N@H+](Cc1csc(C)c1C)Cc1ccccc1 ZINC000006895122 170254142 /nfs/dbraw/zinc/25/41/42/170254142.db2.gz FABJEDCTPPVEEG-UHFFFAOYSA-N 1 0 259.418 4.387 50 0 CIAARO CCc1c(C[N@@H+]2CCc3ccccc3C2)csc1C ZINC000006895147 170254192 /nfs/dbraw/zinc/25/41/92/170254192.db2.gz FCPUPIZQLBSKBF-UHFFFAOYSA-N 1 0 271.429 4.177 50 0 CIAARO Cc1cccc(Sc2ccccc2C[NH+](C)C)c1 ZINC000006924310 170255670 /nfs/dbraw/zinc/25/56/70/170255670.db2.gz UZXVDUHQQYSOCI-UHFFFAOYSA-N 1 0 257.402 4.208 50 0 CIAARO COc1ccc(CC[NH2+]Cc2ccc(C(C)C)cc2)cc1 ZINC000007009356 170262500 /nfs/dbraw/zinc/26/25/00/170262500.db2.gz FUVVHRGBKGCMSJ-UHFFFAOYSA-N 1 0 283.415 4.151 50 0 CIAARO CCCCCC[NH2+]Cc1cc(Cl)c(OCC)c(OC)c1 ZINC000007260969 170273761 /nfs/dbraw/zinc/27/37/61/170273761.db2.gz YHBNIKKLTUGAFP-UHFFFAOYSA-N 1 0 299.842 4.417 50 0 CIAARO CCCCC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000007261331 170273833 /nfs/dbraw/zinc/27/38/33/170273833.db2.gz PXDNBFJDRAQGAG-UHFFFAOYSA-N 1 0 261.340 4.366 50 0 CIAARO CCCCC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000007261324 170273900 /nfs/dbraw/zinc/27/39/00/170273900.db2.gz SXJNARIQRBORAE-UHFFFAOYSA-N 1 0 261.340 4.366 50 0 CIAARO CCC[NH2+]Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000007262356 170274336 /nfs/dbraw/zinc/27/43/36/170274336.db2.gz IWLSHCFLIIGRLW-UHFFFAOYSA-N 1 0 299.414 4.082 50 0 CIAARO Clc1cccc(-c2ccc(C[NH2+]Cc3cccnc3)o2)c1 ZINC000007365281 170279481 /nfs/dbraw/zinc/27/94/81/170279481.db2.gz KBVBGLLOCALAHO-UHFFFAOYSA-N 1 0 298.773 4.285 50 0 CIAARO CC[C@@H](C)[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000007524832 170288972 /nfs/dbraw/zinc/28/89/72/170288972.db2.gz DIIGSYZRFYXRJV-LLVKDONJSA-N 1 0 263.768 4.488 50 0 CIAARO Cc1ccc(C[NH2+]Cc2cccc(Br)c2)cc1 ZINC000007537875 170290227 /nfs/dbraw/zinc/29/02/27/170290227.db2.gz QYKQFIJVWKLZLU-UHFFFAOYSA-N 1 0 290.204 4.047 50 0 CIAARO Cc1cc(C[NH2+]Cc2ccc(C)cc2)c(C)n1CC(C)C ZINC000007779657 170302266 /nfs/dbraw/zinc/30/22/66/170302266.db2.gz HBGGLCRKWVUNGO-UHFFFAOYSA-N 1 0 284.447 4.359 50 0 CIAARO CCCC[N@H+](C)Cc1c(C)[nH]c2ccc(Cl)cc2c1=O ZINC000008578365 170341319 /nfs/dbraw/zinc/34/13/19/170341319.db2.gz ISLGVESVDLEYLM-UHFFFAOYSA-N 1 0 292.810 4.134 50 0 CIAARO CCCC[N@H+](CC)Cc1c(C)[nH]c2ccc(C)cc2c1=O ZINC000008700843 170346655 /nfs/dbraw/zinc/34/66/55/170346655.db2.gz YHKBRMOTBZBMFL-UHFFFAOYSA-N 1 0 286.419 4.179 50 0 CIAARO CC[C@@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2ccccc2c1=O ZINC000008700826 170346742 /nfs/dbraw/zinc/34/67/42/170346742.db2.gz OTRSXBMAUMMCSO-CQSZACIVSA-N 1 0 284.403 4.013 50 0 CIAARO Cc1cc(C)c2[nH]c(C)c(C[N@H+]3CCCC[C@@H]3C)c(=O)c2c1 ZINC000008713992 170348422 /nfs/dbraw/zinc/34/84/22/170348422.db2.gz PMLGVYZXYGVKFO-AWEZNQCLSA-N 1 0 298.430 4.240 50 0 CIAARO Cc1cc(C)c2c(c1)[nH]c(C)c(C[N@H+]1CCC[C@H](C)C1)c2=O ZINC000008717418 170349115 /nfs/dbraw/zinc/34/91/15/170349115.db2.gz JUWTVIWGBFWRRQ-LBPRGKRZSA-N 1 0 298.430 4.098 50 0 CIAARO Cc1cc(C)c2c(c1)[nH]c(C)c(C[N@H+]1CCCC[C@H]1C)c2=O ZINC000008717417 170349264 /nfs/dbraw/zinc/34/92/64/170349264.db2.gz DPOUHLUCOAIRPK-CQSZACIVSA-N 1 0 298.430 4.240 50 0 CIAARO COc1cc(C[NH2+]C(C)C)ccc1OCc1ccc(C)cc1 ZINC000010436150 170406966 /nfs/dbraw/zinc/40/69/66/170406966.db2.gz LSUUMXKJAIMWOP-UHFFFAOYSA-N 1 0 299.414 4.081 50 0 CIAARO C[C@H](CCc1ccccc1)[NH2+]C[C@H](C)c1ccccc1 ZINC000013718486 170581645 /nfs/dbraw/zinc/58/16/45/170581645.db2.gz UXGINOTUXUWUNC-DLBZAZTESA-N 1 0 267.416 4.401 50 0 CIAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1cccc(Cl)c1 ZINC000013726236 170582258 /nfs/dbraw/zinc/58/22/58/170582258.db2.gz IQOMSQVMXJSIHT-AWEZNQCLSA-N 1 0 273.807 4.451 50 0 CIAARO Cc1ccc(C(C)C)cc1OCC[C@@H]1CCCC[NH2+]1 ZINC000020221535 171082849 /nfs/dbraw/zinc/08/28/49/171082849.db2.gz PUTUMLWJOQYDCA-INIZCTEOSA-N 1 0 261.409 4.029 50 0 CIAARO C[C@@H](Cc1cccs1)[NH2+]Cc1ccc(Cl)cc1 ZINC000020268044 171123915 /nfs/dbraw/zinc/12/39/15/171123915.db2.gz ANEQQKLNDYNTER-NSHDSACASA-N 1 0 265.809 4.122 50 0 CIAARO [NH3+]Cc1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC000020469868 171211414 /nfs/dbraw/zinc/21/14/14/171211414.db2.gz HWHMEGUWURTJBZ-UHFFFAOYSA-N 1 0 268.143 4.244 50 0 CIAARO Cc1cc([C@@H](C)[NH2+]Cc2cccc(F)c2)c(C)s1 ZINC000020473275 171216785 /nfs/dbraw/zinc/21/67/85/171216785.db2.gz LYMMQMFBIOQMEO-LLVKDONJSA-N 1 0 263.381 4.355 50 0 CIAARO CC[C@@H]([NH2+]Cc1cccc(F)c1)c1ccc(F)cc1 ZINC000020473398 171217149 /nfs/dbraw/zinc/21/71/49/171217149.db2.gz MQNOJJXECXOJTA-MRXNPFEDSA-N 1 0 261.315 4.206 50 0 CIAARO C[N@H+](CCCC1CCCC1)Cc1nc2cc(F)ccc2[nH]1 ZINC000020534508 171240507 /nfs/dbraw/zinc/24/05/07/171240507.db2.gz UMMXDKKDLQKUSW-UHFFFAOYSA-N 1 0 289.398 4.104 50 0 CIAARO Fc1ccccc1C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000020585619 171259073 /nfs/dbraw/zinc/25/90/73/171259073.db2.gz CBWQQDNTGGNDGF-UHFFFAOYSA-N 1 0 298.188 4.465 50 0 CIAARO Cc1ccc(COc2ccc(C[NH2+]C(C)(C)C)cc2)cc1 ZINC000020873692 171277339 /nfs/dbraw/zinc/27/73/39/171277339.db2.gz FKFGMLAIEPFKOV-UHFFFAOYSA-N 1 0 283.415 4.462 50 0 CIAARO CC[C@H](C)[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000020873734 171277361 /nfs/dbraw/zinc/27/73/61/171277361.db2.gz OIPILEDQQVEKSI-INIZCTEOSA-N 1 0 283.415 4.462 50 0 CIAARO CCCC[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000020873710 171277398 /nfs/dbraw/zinc/27/73/98/171277398.db2.gz XNJTWAABJNPHIP-UHFFFAOYSA-N 1 0 283.415 4.464 50 0 CIAARO CCCOc1cccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1 ZINC000020924735 171279794 /nfs/dbraw/zinc/27/97/94/171279794.db2.gz GXXJALCLVAMYBV-UHFFFAOYSA-N 1 0 299.458 4.390 50 0 CIAARO CCCOc1cccc(C[NH2+]Cc2ccccc2Cl)c1 ZINC000020924786 171280055 /nfs/dbraw/zinc/28/00/55/171280055.db2.gz PVDFPXFFTFOPEG-UHFFFAOYSA-N 1 0 289.806 4.419 50 0 CIAARO Cc1ccc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)o1 ZINC000021019812 171290152 /nfs/dbraw/zinc/29/01/52/171290152.db2.gz JDVQOLIGMJTCDW-IILDEKEXSA-N 1 0 273.420 4.283 50 0 CIAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1C ZINC000021720747 171320350 /nfs/dbraw/zinc/32/03/50/171320350.db2.gz HQIOXFPHTXNHAD-KRWDZBQOSA-N 1 0 298.430 4.499 50 0 CIAARO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1cccc2ccccc21 ZINC000038095393 174108770 /nfs/dbraw/zinc/10/87/70/174108770.db2.gz PKHJPJFTROQFMV-GDBMZVCRSA-N 1 0 269.388 4.060 50 0 CIAARO c1c(C[NH2+]C2CCCCCC2)noc1-c1ccccc1 ZINC000038956095 174160576 /nfs/dbraw/zinc/16/05/76/174160576.db2.gz LLZDWZDSSWBJLC-UHFFFAOYSA-N 1 0 270.376 4.154 50 0 CIAARO Clc1ccccc1[C@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000040153672 174194468 /nfs/dbraw/zinc/19/44/68/174194468.db2.gz YPFUYYZYOXYRPT-QGZVFWFLSA-N 1 0 286.806 4.115 50 0 CIAARO CC[C@@H](C)[NH2+]Cc1ccc(OCc2cccc(C)c2)cc1 ZINC000040722635 174385571 /nfs/dbraw/zinc/38/55/71/174385571.db2.gz MYRNFOMAQYKANP-MRXNPFEDSA-N 1 0 283.415 4.462 50 0 CIAARO CCOc1cc(C[NH2+]C2CCCCC2)ccc1OC(C)C ZINC000040728643 174387737 /nfs/dbraw/zinc/38/77/37/174387737.db2.gz AKGSNRIYMHLBPM-UHFFFAOYSA-N 1 0 291.435 4.295 50 0 CIAARO CCCC[NH2+]Cc1cc(Cl)cc(OC)c1OC(C)C ZINC000040728281 174387768 /nfs/dbraw/zinc/38/77/68/174387768.db2.gz MIICXXPKBWMVBF-UHFFFAOYSA-N 1 0 285.815 4.026 50 0 CIAARO COc1cc(Cl)cc(C[NH2+]CCC(C)C)c1OC(C)C ZINC000040728422 174387895 /nfs/dbraw/zinc/38/78/95/174387895.db2.gz DUVHCNVMYVTWHJ-UHFFFAOYSA-N 1 0 299.842 4.272 50 0 CIAARO CCCCC[NH2+]Cc1cc(Cl)c(OC(C)C)c(OC)c1 ZINC000040729389 174388299 /nfs/dbraw/zinc/38/82/99/174388299.db2.gz DOWKKEFYHHIPBI-UHFFFAOYSA-N 1 0 299.842 4.416 50 0 CIAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)c(OC(C)C)c(OC)c1 ZINC000040729394 174388436 /nfs/dbraw/zinc/38/84/36/174388436.db2.gz RYUQMOBWSKZVFR-LLVKDONJSA-N 1 0 285.815 4.024 50 0 CIAARO CC(C)(C)c1ccc(OC[C@@H]2CC[NH2+]C2)c(C(C)(C)C)c1 ZINC000042770484 174870427 /nfs/dbraw/zinc/87/04/27/174870427.db2.gz SXMRYZPPCXQBEU-CQSZACIVSA-N 1 0 289.463 4.270 50 0 CIAARO c1ccc(-c2ccc(COCC[C@H]3CCCC[NH2+]3)cc2)cc1 ZINC000042772000 174871731 /nfs/dbraw/zinc/87/17/31/174871731.db2.gz CAOOLJIYECJALD-HXUWFJFHSA-N 1 0 295.426 4.402 50 0 CIAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(C)c(C)c2)c1 ZINC000044910805 175275884 /nfs/dbraw/zinc/27/58/84/175275884.db2.gz SDQRZKJRYJRPFK-OAHLLOKOSA-N 1 0 296.414 4.113 50 0 CIAARO CCc1ccc([C@H]2[NH2+]Cc3ccccc3-n3cccc32)cc1 ZINC000053133284 175543173 /nfs/dbraw/zinc/54/31/73/175543173.db2.gz GSEBLWRBGMXPQH-HXUWFJFHSA-N 1 0 288.394 4.232 50 0 CIAARO Cc1ccccc1Cn1cc(C[NH2+]C(C)C)c2ccccc21 ZINC000057353170 175594022 /nfs/dbraw/zinc/59/40/22/175594022.db2.gz HIJGAGDSLZLJDJ-UHFFFAOYSA-N 1 0 292.426 4.496 50 0 CIAARO CC(C)([NH2+]Cc1ccccn1)c1cccc(C(F)(F)F)c1 ZINC000067011474 175767643 /nfs/dbraw/zinc/76/76/43/175767643.db2.gz UJYOPKRZHFGUFS-UHFFFAOYSA-N 1 0 294.320 4.125 50 0 CIAARO COc1ccc(C[NH2+][C@@H](CC(C)C)c2ccccc2)cc1O ZINC000071831327 176273154 /nfs/dbraw/zinc/27/31/54/176273154.db2.gz RZLBLFLBDQFPGF-KRWDZBQOSA-N 1 0 299.414 4.278 50 0 CIAARO Cc1ncsc1C[N@@H+]1CCCC[C@@H]1c1cccc(F)c1 ZINC000072141790 176323632 /nfs/dbraw/zinc/32/36/32/176323632.db2.gz RLINNZJGHGLXRI-OAHLLOKOSA-N 1 0 290.407 4.318 50 0 CIAARO Fc1cc(Cl)ccc1OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072167196 176331669 /nfs/dbraw/zinc/33/16/69/176331669.db2.gz SYZQYSKOIYCNPZ-SWLSCSKDSA-N 1 0 297.801 4.122 50 0 CIAARO CC(C)Sc1ccc([C@H](C)[NH2+]Cc2ccccn2)cc1 ZINC000078411682 177339460 /nfs/dbraw/zinc/33/94/60/177339460.db2.gz OVSDSUWUJOOZPK-AWEZNQCLSA-N 1 0 286.444 4.433 50 0 CIAARO Fc1ccc(C[N@H+](CCc2cccc(F)c2)C2CC2)cc1 ZINC000078704886 177373399 /nfs/dbraw/zinc/37/33/99/177373399.db2.gz YAVVJDNUCRNNOD-UHFFFAOYSA-N 1 0 287.353 4.172 50 0 CIAARO Cc1ccc(OCCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000002844241 260010252 /nfs/dbraw/zinc/01/02/52/260010252.db2.gz HQSGVANNJFLMFK-UHFFFAOYSA-N 1 0 295.426 4.212 50 0 CIAARO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(Cl)cc1 ZINC000020567050 262252073 /nfs/dbraw/zinc/25/20/73/262252073.db2.gz ZHHIPFSFSRDKCB-CYBMUJFWSA-N 1 0 289.806 4.157 50 0 CIAARO CC[C@@H]([NH2+][C@@H](C)c1sccc1C)c1c(C)nn(C)c1C ZINC000133743687 329528115 /nfs/dbraw/zinc/52/81/15/329528115.db2.gz LXLKCCKKMQIWDC-GXTWGEPZSA-N 1 0 291.464 4.209 50 0 CIAARO C[C@H]([NH2+]Cc1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000521398213 333117863 /nfs/dbraw/zinc/11/78/63/333117863.db2.gz WTENMTYHLJCZRL-YJBOKZPZSA-N 1 0 265.400 4.285 50 0 CIAARO c1ccc(Oc2ccc(O[C@@]34CC[N@H+](C3)CCC4)cc2)cc1 ZINC000067740648 526488748 /nfs/dbraw/zinc/48/87/48/526488748.db2.gz NXALTMVPMHHBFI-IBGZPJMESA-N 1 0 295.382 4.096 50 0 CIAARO C[NH2+][C@@H](c1cc2cc(Br)cc(C)c2o1)C(C)C ZINC000088075730 567907552 /nfs/dbraw/zinc/90/75/52/567907552.db2.gz WFVFFMCXZLTUFJ-CYBMUJFWSA-N 1 0 296.208 4.420 50 0 CIAARO C[C@H]([NH2+]C1(c2ccc(Cl)cc2)CCCC1)c1cc[nH]n1 ZINC000241132728 566826736 /nfs/dbraw/zinc/82/67/36/566826736.db2.gz JLFLBTWPRUNMOD-LBPRGKRZSA-N 1 0 289.810 4.183 50 0 CIAARO c1ccc(-c2ccc3c(c2)c2c4n3CC[NH2+][C@H]4CCC2)cc1 ZINC000001300331 566860256 /nfs/dbraw/zinc/86/02/56/566860256.db2.gz ZSJHCDGFMRJUFK-SFHVURJKSA-N 1 0 288.394 4.289 50 0 CIAARO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2F)s1)C1CC1 ZINC000084636415 566885182 /nfs/dbraw/zinc/88/51/82/566885182.db2.gz GZMGELLYIKKMFK-LLVKDONJSA-N 1 0 275.392 4.442 50 0 CIAARO Cc1cccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC000015837199 566921139 /nfs/dbraw/zinc/92/11/39/566921139.db2.gz FEFHTVKZUIMWBR-SFHVURJKSA-N 1 0 269.363 4.471 50 0 CIAARO C[NH+](C)CCSC(c1ccccc1)c1ccccc1 ZINC000033641193 566986555 /nfs/dbraw/zinc/98/65/55/566986555.db2.gz ILKSGFCZAVPHSM-UHFFFAOYSA-N 1 0 271.429 4.071 50 0 CIAARO CC(C)c1nc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)n[nH]1 ZINC000426573065 566988173 /nfs/dbraw/zinc/98/81/73/566988173.db2.gz KBPYBLKJDDTMEN-CQSZACIVSA-N 1 0 298.434 4.142 50 0 CIAARO CC(C)n1nccc1-c1cccc([C@@H](C)[NH+]2CCCC2)c1 ZINC000426510531 566989325 /nfs/dbraw/zinc/98/93/25/566989325.db2.gz YEDSRTLEHGEIEI-OAHLLOKOSA-N 1 0 283.419 4.288 50 0 CIAARO C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccnc2)cc1Cl ZINC000426359572 566989384 /nfs/dbraw/zinc/98/93/84/566989384.db2.gz DUKJJYQPUKKUIY-CYBMUJFWSA-N 1 0 286.806 4.386 50 0 CIAARO CCCc1nc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)c[nH]1 ZINC000426674426 566992046 /nfs/dbraw/zinc/99/20/46/566992046.db2.gz YSCQMPVFLYCNCM-AWEZNQCLSA-N 1 0 283.419 4.186 50 0 CIAARO CCC[N@@H+](Cc1ccc(C)cc1C)C[C@H](O)c1ccccc1 ZINC000036100781 566994119 /nfs/dbraw/zinc/99/41/19/566994119.db2.gz HCELJJUSYCLHEU-FQEVSTJZSA-N 1 0 297.442 4.249 50 0 CIAARO Cc1cc(C[NH2+]C2CCCCC2)cc(C)c1OC(F)F ZINC000170062093 567006294 /nfs/dbraw/zinc/00/62/94/567006294.db2.gz AKSPNZHCAHDXDL-UHFFFAOYSA-N 1 0 283.362 4.327 50 0 CIAARO Cc1ccc2[nH]c(Nc3ccc(Cl)cc3)[nH+]c2c1 ZINC000041596673 567008732 /nfs/dbraw/zinc/00/87/32/567008732.db2.gz JGDVOFQCBHOVQG-UHFFFAOYSA-N 1 0 257.724 4.268 50 0 CIAARO Cc1noc(C)c1C[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000036994781 567009565 /nfs/dbraw/zinc/00/95/65/567009565.db2.gz BUTXZOOHUVLTPK-INIZCTEOSA-N 1 0 272.392 4.168 50 0 CIAARO Cc1n[nH]cc1CCC[NH2+][C@@H]1CCCCC12CCCCC2 ZINC000170595340 567011444 /nfs/dbraw/zinc/01/14/44/567011444.db2.gz FTASIJHVWXIRHK-QGZVFWFLSA-N 1 0 289.467 4.133 50 0 CIAARO CS[C@H]1CCCC[N@@H+]([C@@H]2CCCc3nc(C)sc32)C1 ZINC000170604799 567014147 /nfs/dbraw/zinc/01/41/47/567014147.db2.gz ROAOUQOHGCJAGT-GXTWGEPZSA-N 1 0 296.505 4.046 50 0 CIAARO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccccc2Cl)cc1 ZINC000076082211 567029389 /nfs/dbraw/zinc/02/93/89/567029389.db2.gz PSZICKGQVHJBIS-SUMWQHHRSA-N 1 0 289.806 4.033 50 0 CIAARO C[NH+](C)CC(C)(C)[C@@H]1O[C@@H]2CCCC[C@H]2C2=CCCC[C@H]21 ZINC000002139413 567055513 /nfs/dbraw/zinc/05/55/13/567055513.db2.gz HCPHZQAJVVJZLU-BSDSXHPESA-N 1 0 291.479 4.258 50 0 CIAARO C[C@H]1CCCC[N@@H+]1Cc1cncc(-c2ccccc2F)c1 ZINC000037553741 567067327 /nfs/dbraw/zinc/06/73/27/567067327.db2.gz VSWRHIOEFPTCGV-AWEZNQCLSA-N 1 0 284.378 4.262 50 0 CIAARO CC[N@H+](C)Cc1cncc(-c2ccc3ccccc3c2)c1 ZINC000037553844 567068025 /nfs/dbraw/zinc/06/80/25/567068025.db2.gz LYPMFVKHCKMJJT-UHFFFAOYSA-N 1 0 276.383 4.354 50 0 CIAARO C[S+]=c1nc(C(C)(C)C)sc2c1CCCC2 ZINC000048524322 567090245 /nfs/dbraw/zinc/09/02/45/567090245.db2.gz ZNKBMHGJNNTPPY-UHFFFAOYSA-N 1 0 254.444 4.322 50 0 CIAARO COc1ccc(CC[NH2+]Cc2ccccc2)c2ccccc12 ZINC000146339602 567093298 /nfs/dbraw/zinc/09/32/98/567093298.db2.gz KDLHUALGUFUASO-UHFFFAOYSA-N 1 0 291.394 4.181 50 0 CIAARO COc1ccccc1[C@H](Cc1ccccc1)[NH+]1CCCCC1 ZINC000145040224 567093419 /nfs/dbraw/zinc/09/34/19/567093419.db2.gz QXXCUXIRBHSITD-IBGZPJMESA-N 1 0 295.426 4.465 50 0 in-vitro CIAARO CCSCC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000079110807 567122596 /nfs/dbraw/zinc/12/25/96/567122596.db2.gz DJOFLBFYBOZVCW-CQSZACIVSA-N 1 0 290.432 4.108 50 0 CIAARO COc1cccc2cc([C@@H](C)[NH2+][C@@H](C)c3ccncc3)oc21 ZINC000095349348 567127905 /nfs/dbraw/zinc/12/79/05/567127905.db2.gz QYEVHOHWFZLBBW-QWHCGFSZSA-N 1 0 296.370 4.248 50 0 CIAARO C[C@@H](c1cccnc1)[N@H+](C)CCSc1ccccc1F ZINC000095446716 567132890 /nfs/dbraw/zinc/13/28/90/567132890.db2.gz MSJOMTRPHBISHU-ZDUSSCGKSA-N 1 0 290.407 4.006 50 0 CIAARO C[NH+](C)C[C@H](CCCc1ccccc1)c1ccccc1 ZINC000096027183 567138001 /nfs/dbraw/zinc/13/80/01/567138001.db2.gz KTCDBOJVPNGQGA-IBGZPJMESA-N 1 0 267.416 4.355 50 0 CIAARO C[N@@H+]1CCCC[C@@H]1C1(c2ccccc2)CCCCC1 ZINC000096027009 567138270 /nfs/dbraw/zinc/13/82/70/567138270.db2.gz KJFNUMVYIPSFHG-QGZVFWFLSA-N 1 0 257.421 4.373 50 0 CIAARO C[NH+](C)C[C@@H](Oc1ccccc1)c1ccc(Cl)cc1 ZINC000096026937 567138823 /nfs/dbraw/zinc/13/88/23/567138823.db2.gz BJBPILKZKBFNHE-MRXNPFEDSA-N 1 0 275.779 4.022 50 0 CIAARO CC[NH+](CC)C[C@@H](Oc1ccc(C)cc1)c1ccccc1 ZINC000096026735 567139397 /nfs/dbraw/zinc/13/93/97/567139397.db2.gz FTSUJPBVSJDCLD-LJQANCHMSA-N 1 0 283.415 4.457 50 0 CIAARO CCCC[N@H+](C)C1c2ccccc2-c2ccccc21 ZINC000057406158 567154829 /nfs/dbraw/zinc/15/48/29/567154829.db2.gz ABHAGKGIFYJAPQ-UHFFFAOYSA-N 1 0 251.373 4.488 50 0 CIAARO CC1CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000003247068 567166241 /nfs/dbraw/zinc/16/62/41/567166241.db2.gz YNZYISZLKPCFEX-UHFFFAOYSA-N 1 0 288.218 4.104 50 0 CIAARO Cc1ccn2c(c1)nc(-c1ccc(Cl)cc1)c2C[NH+](C)C ZINC000004025044 567184985 /nfs/dbraw/zinc/18/49/85/567184985.db2.gz KCDFSBJMBVDNBE-UHFFFAOYSA-N 1 0 299.805 4.025 50 0 CIAARO Clc1cccc(N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000000217889 567822306 /nfs/dbraw/zinc/82/23/06/567822306.db2.gz LURULLLGHVHCRF-UHFFFAOYSA-N 1 0 292.854 4.042 50 0 CIAARO c1sc2ccccc2[n+]1Cc1cccc2ccccc21 ZINC000000272675 567823745 /nfs/dbraw/zinc/82/37/45/567823745.db2.gz DWBXSRGDOOXBEK-UHFFFAOYSA-N 1 0 276.384 4.390 50 0 aggregator CIAARO Cc1ccc(C(C)C)c(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000000311249 567825035 /nfs/dbraw/zinc/82/50/35/567825035.db2.gz JTORNYBQOJZVEB-CALCHBBNSA-N 1 0 289.463 4.475 50 0 CIAARO C[C@@H](Cc1ccccc1Sc1ccc(O)cc1)[NH+](C)C ZINC000000347803 567826136 /nfs/dbraw/zinc/82/61/36/567826136.db2.gz XIALVPWRLIIBKE-ZDUSSCGKSA-N 1 0 287.428 4.036 50 0 CIAARO c1ccc(Sc2ccccc2C[NH+]2CCCC2)cc1 ZINC000000347481 567826225 /nfs/dbraw/zinc/82/62/25/567826225.db2.gz YPHHLMXERAEIAI-UHFFFAOYSA-N 1 0 269.413 4.434 50 0 CIAARO C[C@@H]([NH2+]Cc1cccc(Br)c1)c1ccccc1 ZINC000000570995 567833701 /nfs/dbraw/zinc/83/37/01/567833701.db2.gz HQHNBGPDEUQEET-GFCCVEGCSA-N 1 0 290.204 4.300 50 0 CIAARO COc1ccc(C[N@H+]2CC=C(Cc3ccccc3)CC2)cc1 ZINC000001227663 567836494 /nfs/dbraw/zinc/83/64/94/567836494.db2.gz RWSJOKBIBIYSFD-UHFFFAOYSA-N 1 0 293.410 4.070 50 0 CIAARO CCn1c(C)[n+](-c2ccccc2)c2ccc3ccccc3c21 ZINC000001151739 567836499 /nfs/dbraw/zinc/83/64/99/567836499.db2.gz GXKOKGFBSMHTOH-UHFFFAOYSA-N 1 0 287.386 4.400 50 0 CIAARO CCCC[NH2+]CCCOc1ccc(Cl)c(Cl)c1 ZINC000003000926 567850856 /nfs/dbraw/zinc/85/08/56/567850856.db2.gz FCDAINOIJDWLIL-UHFFFAOYSA-N 1 0 276.207 4.152 50 0 CIAARO Clc1ccc(C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000002513129 567846296 /nfs/dbraw/zinc/84/62/96/567846296.db2.gz UPPCPNIWSRMOQZ-UHFFFAOYSA-N 1 0 271.791 4.010 50 0 CIAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)c1cccc(Cl)c1 ZINC000002514561 567846343 /nfs/dbraw/zinc/84/63/43/567846343.db2.gz UVKZZQWHCZLWLJ-UHFFFAOYSA-N 1 0 299.801 4.167 50 0 CIAARO Cc1ccc(C(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000002514993 567846346 /nfs/dbraw/zinc/84/63/46/567846346.db2.gz RKACTBIRTRMQLF-UHFFFAOYSA-N 1 0 293.410 4.212 50 0 CIAARO Cc1ccc(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000002514492 567846484 /nfs/dbraw/zinc/84/64/84/567846484.db2.gz MJYNQTOKIIJFCO-UHFFFAOYSA-N 1 0 293.410 4.212 50 0 CIAARO c1ccc(-c2[nH]c3ccccc3c2C2CC[NH2+]CC2)cc1 ZINC000002580888 567848723 /nfs/dbraw/zinc/84/87/23/567848723.db2.gz FWPAVENSJPMGJO-UHFFFAOYSA-N 1 0 276.383 4.302 50 0 in-vivo CIAARO CCCC[NH2+]CCCOc1ccc(Cl)cc1Cl ZINC000002898632 567850158 /nfs/dbraw/zinc/85/01/58/567850158.db2.gz SEPZWIQYMSJQOW-UHFFFAOYSA-N 1 0 276.207 4.152 50 0 CIAARO Cc1ccc(OCCCC[NH+]2CCC(C)CC2)cc1C ZINC000002954029 567850483 /nfs/dbraw/zinc/85/04/83/567850483.db2.gz HSPOZVZAAMLVHE-UHFFFAOYSA-N 1 0 275.436 4.194 50 0 CIAARO CCCC[NH2+][C@@H](C)CC[C@@H](C)Oc1ccccc1C ZINC000002931756 567850496 /nfs/dbraw/zinc/85/04/96/567850496.db2.gz HZERXGCDHSVEFF-JKSUJKDBSA-N 1 0 263.425 4.321 50 0 CIAARO Clc1cccc(Cl)c1OCCC[NH+]1CCCCC1 ZINC000002932653 567850533 /nfs/dbraw/zinc/85/05/33/567850533.db2.gz ZFIHFURISVOOGI-UHFFFAOYSA-N 1 0 288.218 4.248 50 0 CIAARO Cc1cc(Cl)cc(C)c1OCCC[NH+]1CCCCC1 ZINC000002901964 567850680 /nfs/dbraw/zinc/85/06/80/567850680.db2.gz ZKQXUWWWZRJRBX-UHFFFAOYSA-N 1 0 281.827 4.212 50 0 CIAARO Cc1cc(Cl)cc(C)c1OCCCC[NH+]1CCCC1 ZINC000002903303 567850700 /nfs/dbraw/zinc/85/07/00/567850700.db2.gz KCSKXXGBUOKLCY-UHFFFAOYSA-N 1 0 281.827 4.212 50 0 CIAARO Cc1cc(OCCCC[NH+]2CCCCC2)ccc1Cl ZINC000002933244 567850706 /nfs/dbraw/zinc/85/07/06/567850706.db2.gz YMDOGFJOZQMTFF-UHFFFAOYSA-N 1 0 281.827 4.293 50 0 CIAARO CC[NH+](CC)CCCCOc1ccc(Cl)cc1Cl ZINC000002901984 567850708 /nfs/dbraw/zinc/85/07/08/567850708.db2.gz TWSXTZGCMACMNB-UHFFFAOYSA-N 1 0 290.234 4.494 50 0 CIAARO CC[C@@H](C)c1ccccc1OCCCC[NH+]1CCCC1 ZINC000003460714 567852897 /nfs/dbraw/zinc/85/28/97/567852897.db2.gz LOLQYDGGAQMCGH-MRXNPFEDSA-N 1 0 275.436 4.455 50 0 CIAARO CCCCNC(=[NH2+])[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000003636320 567853026 /nfs/dbraw/zinc/85/30/26/567853026.db2.gz QBYOWULMLIZGIZ-AWEZNQCLSA-N 1 0 260.425 4.356 50 0 CIAARO Cc1ccc([C@H]2[NH2+]CCc3c4cc(C)ccc4[nH]c32)cc1 ZINC000003736420 567853385 /nfs/dbraw/zinc/85/33/85/567853385.db2.gz MKXIPSOZLXGOFM-GOSISDBHSA-N 1 0 276.383 4.020 50 0 CIAARO c1cn(CC[C@@H]([NH2+]C2CCCCCC2)c2ccccc2)cn1 ZINC000032547847 567860988 /nfs/dbraw/zinc/86/09/88/567860988.db2.gz ZGFQVKVVXMTPSX-LJQANCHMSA-N 1 0 297.446 4.327 50 0 CIAARO CC(C)[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000010436260 567861287 /nfs/dbraw/zinc/86/12/87/567861287.db2.gz YTLHGBZQSLMGTO-UHFFFAOYSA-N 1 0 294.192 4.207 50 0 CIAARO CCC[C@H]([NH2+]Cc1ccccc1OC)c1ccccc1 ZINC000010435885 567861505 /nfs/dbraw/zinc/86/15/05/567861505.db2.gz MLFUIKDTIVUJPK-KRWDZBQOSA-N 1 0 269.388 4.326 50 0 CIAARO Cc1ccc(COc2ccccc2C[NH2+]C(C)C)cc1 ZINC000010436311 567861900 /nfs/dbraw/zinc/86/19/00/567861900.db2.gz GRUQAFJGCQNUNH-UHFFFAOYSA-N 1 0 269.388 4.072 50 0 CIAARO CC[C@@H](C)c1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000012984366 567864839 /nfs/dbraw/zinc/86/48/39/567864839.db2.gz OBVNVHPGQBFZSE-CABCVRRESA-N 1 0 288.435 4.013 50 0 CIAARO c1ccc(CC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000013475731 567866322 /nfs/dbraw/zinc/86/63/22/567866322.db2.gz USWWVZJEOYCMQL-UHFFFAOYSA-N 1 0 265.400 4.141 50 0 CIAARO Cc1ccc(C[NH2+]CCc2ccc(Cl)cc2)s1 ZINC000013717934 567867708 /nfs/dbraw/zinc/86/77/08/567867708.db2.gz FZEHFEBZIUQNGO-UHFFFAOYSA-N 1 0 265.809 4.042 50 0 CIAARO [NH3+][C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000016082953 567871807 /nfs/dbraw/zinc/87/18/07/567871807.db2.gz BWSDVZYTGXWAFC-CYBMUJFWSA-N 1 0 252.144 4.042 50 0 CIAARO CC[C@H]([NH3+])c1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000019735019 567878334 /nfs/dbraw/zinc/87/83/34/567878334.db2.gz YZXUIVPRPAFCFV-AWEZNQCLSA-N 1 0 299.805 4.148 50 0 CIAARO C[C@@H](C[NH2+]C1CCCCC1)Oc1ccc(Cl)cc1 ZINC000019737919 567878904 /nfs/dbraw/zinc/87/89/04/567878904.db2.gz KQKPXZCVEUXFKA-LBPRGKRZSA-N 1 0 267.800 4.030 50 0 CIAARO Clc1ccccc1CCC[NH2+]Cc1ccccc1 ZINC000019737837 567878937 /nfs/dbraw/zinc/87/89/37/567878937.db2.gz NDHJYSJUXOUGBD-UHFFFAOYSA-N 1 0 259.780 4.062 50 0 CIAARO Fc1ccccc1CC[NH2+]Cc1cccc(Cl)c1Cl ZINC000019872132 567879503 /nfs/dbraw/zinc/87/95/03/567879503.db2.gz PNZAKWLENKFGCN-UHFFFAOYSA-N 1 0 298.188 4.465 50 0 CIAARO C[C@H]([NH2+]Cc1ccncc1)c1ccc(Cl)cc1Cl ZINC000019917686 567880119 /nfs/dbraw/zinc/88/01/19/567880119.db2.gz DKDZDIRNOCIQJZ-JTQLQIEISA-N 1 0 281.186 4.239 50 0 CIAARO [NH3+][C@@H](c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000019968078 567880585 /nfs/dbraw/zinc/88/05/85/567880585.db2.gz IYXMLFSUCVXABO-IBGZPJMESA-N 1 0 259.352 4.402 50 0 CIAARO COc1ccc(C[N@@H+]2CCCC[C@@H]2C)c2ccccc12 ZINC000023281827 567881846 /nfs/dbraw/zinc/88/18/46/567881846.db2.gz ZZHOGXPKZXKKGB-AWEZNQCLSA-N 1 0 269.388 4.223 50 0 CIAARO Cc1[nH]c2ccc(C)cc2c1CC[NH2+]Cc1cccs1 ZINC000023650146 567882041 /nfs/dbraw/zinc/88/20/41/567882041.db2.gz PJFOVSTWJXTVEX-UHFFFAOYSA-N 1 0 284.428 4.179 50 0 CIAARO c1ccc(Cn2c3ccccc3c3c[nH+]ccc32)cc1 ZINC000029061989 567883852 /nfs/dbraw/zinc/88/38/52/567883852.db2.gz YBOWTPNVWOLOOL-UHFFFAOYSA-N 1 0 258.324 4.238 50 0 CIAARO CC(C)Oc1cccc(C[NH2+][C@H](C)c2ccccc2)c1 ZINC000032117823 567885937 /nfs/dbraw/zinc/88/59/37/567885937.db2.gz FNDVPFNWKBXJGJ-OAHLLOKOSA-N 1 0 269.388 4.325 50 0 CIAARO CC(C)Oc1cccc(C[NH2+][C@@H](C)c2ccccc2)c1 ZINC000032117821 567886017 /nfs/dbraw/zinc/88/60/17/567886017.db2.gz FNDVPFNWKBXJGJ-HNNXBMFYSA-N 1 0 269.388 4.325 50 0 CIAARO CC(C)Oc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000032117871 567886092 /nfs/dbraw/zinc/88/60/92/567886092.db2.gz XYZCXENLMCBGDD-OAHLLOKOSA-N 1 0 269.388 4.325 50 0 CIAARO Cc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(Cl)cc1 ZINC000033716483 567887094 /nfs/dbraw/zinc/88/70/94/567887094.db2.gz MYDMZCBPIPOOQR-QGZVFWFLSA-N 1 0 296.801 4.365 50 0 CIAARO CC[NH+](CC)CCOC1(c2ccccc2)CCCCC1 ZINC000033884206 567887117 /nfs/dbraw/zinc/88/71/17/567887117.db2.gz WKJUBQRWYGAUNH-UHFFFAOYSA-N 1 0 275.436 4.204 50 0 CIAARO CC1=C(CC[N@H+](C)CCc2ccccn2)C(C)(C)CCC1 ZINC000000217602 567887410 /nfs/dbraw/zinc/88/74/10/567887410.db2.gz QBDAIMIXSAONBR-UHFFFAOYSA-N 1 0 286.463 4.473 50 0 CIAARO c1ccc2cc(OCCCC[NH+]3CCCC3)ccc2c1 ZINC000002494270 567887865 /nfs/dbraw/zinc/88/78/65/567887865.db2.gz BEZMZFQNWALNJJ-UHFFFAOYSA-N 1 0 269.388 4.095 50 0 CIAARO CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1OC(C)C ZINC000040730347 567890868 /nfs/dbraw/zinc/89/08/68/567890868.db2.gz DNEQTKHFRLFWIF-NSHDSACASA-N 1 0 255.789 4.015 50 0 CIAARO CCc1ccc(C[N@H+](CC)Cc2ccccc2)cc1 ZINC000004591132 567891534 /nfs/dbraw/zinc/89/15/34/567891534.db2.gz OYSNGQHWAAZDRL-UHFFFAOYSA-N 1 0 253.389 4.271 50 0 CIAARO Clc1ccc(OCCC2CC[NH2+]CC2)c2ccccc12 ZINC000042773339 567891610 /nfs/dbraw/zinc/89/16/10/567891610.db2.gz ALWMELPDEWFVOM-UHFFFAOYSA-N 1 0 289.806 4.262 50 0 CIAARO CCC(C)(C)c1ccc(OCC[C@H]2CCC[NH2+]C2)cc1 ZINC000042773180 567891615 /nfs/dbraw/zinc/89/16/15/567891615.db2.gz JAUMAAHLMXQRTD-OAHLLOKOSA-N 1 0 275.436 4.143 50 0 CIAARO CC(C)(C)c1ccc(OCC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042771060 567891658 /nfs/dbraw/zinc/89/16/58/567891658.db2.gz QKUSGBRZYNPSOV-ZDUSSCGKSA-N 1 0 295.854 4.406 50 0 CIAARO Cc1noc(C)c1C[NH2+][C@H](c1cccs1)C(C)(C)C ZINC000059578334 567896959 /nfs/dbraw/zinc/89/69/59/567896959.db2.gz YOMIGJLBEGHCHT-CQSZACIVSA-N 1 0 278.421 4.230 50 0 CIAARO C[NH+](C)Cc1ccc(-c2ccc3cc(O)ccc3c2)cc1 ZINC000065395885 567899365 /nfs/dbraw/zinc/89/93/65/567899365.db2.gz HAUIBUCZPBEPEL-UHFFFAOYSA-N 1 0 277.367 4.274 50 0 CIAARO Clc1ccc2c(c1Cl)CCC([NH+]1CCCC1)=C2 ZINC000071775037 567902107 /nfs/dbraw/zinc/90/21/07/567902107.db2.gz ATMPOUQCYZWRRQ-UHFFFAOYSA-N 1 0 268.187 4.376 50 0 CIAARO CCCC[C@H](CC)C[N@@H+]1CCCN[C@@]1(C)c1ccccc1 ZINC000071772436 567902221 /nfs/dbraw/zinc/90/22/21/567902221.db2.gz XSDKFZIGOKCVDM-PKOBYXMFSA-N 1 0 288.479 4.371 50 0 CIAARO Fc1cccc([C@@H]2CCCC[N@@H+]2Cc2ccco2)c1 ZINC000072457877 567903295 /nfs/dbraw/zinc/90/32/95/567903295.db2.gz ZACYBJMJENXKQO-INIZCTEOSA-N 1 0 259.324 4.146 50 0 CIAARO C[C@H](c1ccc(-c2cc(C3CC3)ncn2)cc1)[NH+]1CCCC1 ZINC000097522793 567910567 /nfs/dbraw/zinc/91/05/67/567910567.db2.gz BLHJWWATXLUNFN-CQSZACIVSA-N 1 0 293.414 4.178 50 0 CIAARO Cc1c(CN(C)Cc2cc(C(C)C)on2)[nH]c2ccccc12 ZINC000097638037 567910841 /nfs/dbraw/zinc/91/08/41/567910841.db2.gz VVCMHQSVXCJWKB-UHFFFAOYSA-N 1 0 297.402 4.220 50 0 CIAARO CCCCN1c2ccccc2N2C[C@H](c3ccccc3)[NH+]=C12 ZINC000102061068 567915052 /nfs/dbraw/zinc/91/50/52/567915052.db2.gz KLDVRIXPYGKJQR-MRXNPFEDSA-N 1 0 291.398 4.224 50 0 CIAARO CC(=O)Nc1ccc(Nc2cc(C)[nH+]c3ccccc23)cc1 ZINC000000303306 567926373 /nfs/dbraw/zinc/92/63/73/567926373.db2.gz AWDBGRQJQXRDGS-UHFFFAOYSA-N 1 0 291.354 4.245 50 0 CIAARO Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000152093503 567932551 /nfs/dbraw/zinc/93/25/51/567932551.db2.gz OWZHGGQGPCRZDT-SLEUVZQESA-N 1 0 278.440 4.027 50 0 CIAARO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000017316305 567935091 /nfs/dbraw/zinc/93/50/91/567935091.db2.gz SHZKASBTPUVULA-ZDUSSCGKSA-N 1 0 293.414 4.041 50 0 CIAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccccc1Cl ZINC000013726228 567942073 /nfs/dbraw/zinc/94/20/73/567942073.db2.gz FRZLBSQMDWNQMS-AWEZNQCLSA-N 1 0 273.807 4.451 50 0 CIAARO CSc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000013721292 567942198 /nfs/dbraw/zinc/94/21/98/567942198.db2.gz ZUWRYJXWJQNQGY-UHFFFAOYSA-N 1 0 291.847 4.394 50 0 CIAARO CC(C)Oc1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000032112172 567955851 /nfs/dbraw/zinc/95/58/51/567955851.db2.gz FTTMKMNNGXWGQH-UHFFFAOYSA-N 1 0 261.409 4.286 50 0 CIAARO Cc1cccc(COc2ccccc2C[NH2+]C(C)C)c1 ZINC000032117718 567955871 /nfs/dbraw/zinc/95/58/71/567955871.db2.gz PWSLPDQXYGFOQA-UHFFFAOYSA-N 1 0 269.388 4.072 50 0 CIAARO Clc1ccc(C[NH2+]C2CCCCC2)c(Cl)c1 ZINC000004689132 570215931 /nfs/dbraw/zinc/21/59/31/570215931.db2.gz VOPPOQHLFJSJOY-UHFFFAOYSA-N 1 0 258.192 4.416 50 0 CIAARO C/C=C(\C)C[N@@H+]1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1 ZINC000011843627 570220805 /nfs/dbraw/zinc/22/08/05/570220805.db2.gz NURFJMHCZMPDQO-JMFZVXOESA-N 1 0 291.822 4.201 50 0 CIAARO Cc1ccsc1C[N@@H+]1Cc2cc(C)ccc2O[C@H](C)C1 ZINC000055108156 570240428 /nfs/dbraw/zinc/24/04/28/570240428.db2.gz ALCHKKGVHJNDMX-CQSZACIVSA-N 1 0 287.428 4.148 50 0 CIAARO CSc1ccc(CN2CCC[C@@H]2c2nccs2)cc1 ZINC000215239001 570302344 /nfs/dbraw/zinc/30/23/44/570302344.db2.gz NCHLEMCNKQKPOC-CQSZACIVSA-N 1 0 290.457 4.202 50 0 CIAARO COc1ccc(C[NH2+]C2CCC(C(C)(C)C)CC2)cc1 ZINC000021053496 570303284 /nfs/dbraw/zinc/30/32/84/570303284.db2.gz GJGPKNATYBUGJE-UHFFFAOYSA-N 1 0 275.436 4.390 50 0 CIAARO CC(C)c1c[nH]nc1[C@@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000215831263 570304098 /nfs/dbraw/zinc/30/40/98/570304098.db2.gz AXTVOJQPJPOJAS-HZPDHXFCSA-N 1 0 287.451 4.069 50 0 CIAARO CC(C)Oc1ccc([C@H]([NH2+]Cc2ccccn2)C(C)C)cc1 ZINC000012324964 570307617 /nfs/dbraw/zinc/30/76/17/570307617.db2.gz ZEDBSSNNAXMIOK-LJQANCHMSA-N 1 0 298.430 4.356 50 0 CIAARO CC(C)c1ccc([C@H](OCC[NH+](C)C)c2ccccc2)cc1 ZINC000001999750 570326711 /nfs/dbraw/zinc/32/67/11/570326711.db2.gz CDQSPYCJHMOSQQ-HXUWFJFHSA-N 1 0 297.442 4.478 50 0 CIAARO CCOc1cc2c(cc1OCC)[C@H](C(CC)CC)[NH2+]CC2 ZINC000003619503 570328060 /nfs/dbraw/zinc/32/80/60/570328060.db2.gz KZMXNWOCGHUYSJ-SFHVURJKSA-N 1 0 291.435 4.107 50 0 CIAARO Cc1ccc2[nH]cc([C@@H](C[NH3+])c3ccc(Cl)cc3)c2c1 ZINC000011919675 570336248 /nfs/dbraw/zinc/33/62/48/570336248.db2.gz CJALMJLKHPTRRT-HNNXBMFYSA-N 1 0 284.790 4.220 50 0 CIAARO C[N@@H+]1CCCc2c(c3ccccc3n2-c2ccc(F)cc2)C1 ZINC000075567370 570355962 /nfs/dbraw/zinc/35/59/62/570355962.db2.gz GZXVSSNWWFZJBD-UHFFFAOYSA-N 1 0 294.373 4.148 50 0 CIAARO Clc1cc2cccnc2c(C[NH2+]Cc2ccsc2)c1 ZINC000089807822 570368695 /nfs/dbraw/zinc/36/86/95/570368695.db2.gz OZEIKQLQXHPQGS-UHFFFAOYSA-N 1 0 288.803 4.240 50 0 CIAARO Cc1nc2c(s1)[C@H]([NH2+]Cc1cc3ccccc3[nH]1)CCC2 ZINC000095421299 570371731 /nfs/dbraw/zinc/37/17/31/570371731.db2.gz YKGYOBTTXFDPGA-OAHLLOKOSA-N 1 0 297.427 4.100 50 0 CIAARO CC1=CC[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]3[C@H]2C1 ZINC000252694440 570378589 /nfs/dbraw/zinc/37/85/89/570378589.db2.gz KQDDHWGHKMLCGS-ACWOFJMJSA-N 1 0 278.399 4.053 50 0 CIAARO Cc1ccc(C)c(N2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000004981388 570385041 /nfs/dbraw/zinc/38/50/41/570385041.db2.gz JQCRYKFJQAXIGC-CRAIPNDOSA-N 1 0 286.463 4.004 50 0 CIAARO CC(C)C[C@@H]([NH2+]Cc1ccc(Cl)o1)c1cccnc1 ZINC000952965113 614195811 /nfs/dbraw/zinc/19/58/11/614195811.db2.gz CEQJUCRBHPWROS-CQSZACIVSA-N 1 0 278.783 4.205 50 0 CIAARO CC[C@@H]([NH2+]Cc1ccc(F)c(OC)c1F)c1cccs1 ZINC000952974270 615536002 /nfs/dbraw/zinc/53/60/02/615536002.db2.gz AIKMHURAXMRIOU-GFCCVEGCSA-N 1 0 297.370 4.276 50 0 CIAARO CCCCCC[NH2+]Cc1cc(Br)cs1 ZINC000020306023 260117859 /nfs/dbraw/zinc/11/78/59/260117859.db2.gz SSELZSRBTQLKPP-UHFFFAOYSA-N 1 0 276.243 4.181 50 0 CIAARO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000095941304 185036227 /nfs/dbraw/zinc/03/62/27/185036227.db2.gz WIOMUAHOHAVADM-RYUDHWBXSA-N 1 0 272.845 4.101 50 0 CIAARO C[C@H](CCc1cccn1C)[NH2+]C1CCCCCCC1 ZINC000095968612 185047837 /nfs/dbraw/zinc/04/78/37/185047837.db2.gz GOQOXDYVPACOHU-OAHLLOKOSA-N 1 0 262.441 4.049 50 0 CIAARO Clc1cccc(Cl)c1SC[C@@H]1CCCC[NH2+]1 ZINC000083308930 178380399 /nfs/dbraw/zinc/38/03/99/178380399.db2.gz FBRUBIJXXVADMG-VIFPVBQESA-N 1 0 276.232 4.228 50 0 CIAARO CC[C@H]([NH2+][C@@H](CC)c1ccc2c(c1)CCO2)c1ccncc1 ZINC000096478341 529654420 /nfs/dbraw/zinc/65/44/20/529654420.db2.gz OQXKBJLZNSTGCZ-ROUUACIJSA-N 1 0 296.414 4.209 50 0 CIAARO CCc1nc(C)cc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)n1 ZINC000097155933 185550613 /nfs/dbraw/zinc/55/06/13/185550613.db2.gz GJDNAOVGHXMMAP-HNNXBMFYSA-N 1 0 295.430 4.171 50 0 CIAARO C[C@H]([NH2+]Cc1cc[nH]c1)c1ccc2ccccc2c1 ZINC000086249442 179255302 /nfs/dbraw/zinc/25/53/02/179255302.db2.gz HUFRCXDSULZOFQ-ZDUSSCGKSA-N 1 0 250.345 4.019 50 0 CIAARO CCOC(=O)[C@@H]1CCCC[N@@H+]1CC[C@H](C)CCC=C(C)C ZINC000104834681 186027272 /nfs/dbraw/zinc/02/72/72/186027272.db2.gz BMIQADKTRACVCS-SJORKVTESA-N 1 0 295.467 4.177 50 0 CIAARO c1ccc2c(c1)[nH]c1c2CCC[N@@H+]2C[C@@H]3CC=CC[C@H]3[C@@H]12 ZINC000106588202 186128163 /nfs/dbraw/zinc/12/81/63/186128163.db2.gz XGOIUNFXMAIFSF-KSMMKXTCSA-N 1 0 278.399 4.053 50 0 CIAARO CCCC[C@H](CC)C[N@@H+]1CCCN[C@]1(C)c1ccccc1 ZINC000257358972 190038096 /nfs/dbraw/zinc/03/80/96/190038096.db2.gz XSDKFZIGOKCVDM-HKUYNNGSSA-N 1 0 288.479 4.371 50 0 CIAARO C1=C(c2ccc3c(c2)c2c4n3CC[NH2+][C@@H]4CCC2)CCC1 ZINC000000213038 169576833 /nfs/dbraw/zinc/57/68/33/169576833.db2.gz QQIINHRJQQSNNY-QGZVFWFLSA-N 1 0 278.399 4.189 50 0 CIAARO COc1cc(C)c(C[NH2+]C2CCCCCC2)cc1C ZINC000000263018 169590881 /nfs/dbraw/zinc/59/08/81/169590881.db2.gz GDNLXFZLWXKKDW-UHFFFAOYSA-N 1 0 261.409 4.124 50 0 CIAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3[C@H]1CC=C(C)CC1 ZINC000000386493 169626145 /nfs/dbraw/zinc/62/61/45/169626145.db2.gz CBURKUOQISWBOD-UGSOOPFHSA-N 1 0 296.414 4.110 50 0 CIAARO Cc1cn(-c2cccc(Cl)c2C[NH3+])c2ccccc12 ZINC000004054830 184530676 /nfs/dbraw/zinc/53/06/76/184530676.db2.gz VYOGJNDUBVHFKZ-UHFFFAOYSA-N 1 0 270.763 4.051 50 0 CIAARO CC[NH+](CC)CCCC(O)(c1ccccc1)c1ccccc1 ZINC000001593584 169720972 /nfs/dbraw/zinc/72/09/72/169720972.db2.gz QVKBPWDAIFKJEG-UHFFFAOYSA-N 1 0 297.442 4.045 50 0 CIAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000003683546 134644063 /nfs/dbraw/zinc/64/40/63/134644063.db2.gz UQWXNPHMYCOVJL-GDBMZVCRSA-N 1 0 292.854 4.041 50 0 CIAARO CC[n+]1c(/C=C(\C)OC)sc2ccc3ccccc3c21 ZINC000002565302 169809990 /nfs/dbraw/zinc/80/99/90/169809990.db2.gz IAXJZUVRZLMUQC-VAWYXSNFSA-N 1 0 284.404 4.369 50 0 CIAARO CCc1cc(OCCCC[NH2+][C@H](C)CC)ccc1Cl ZINC000002821889 169834316 /nfs/dbraw/zinc/83/43/16/169834316.db2.gz AYZQEYAGLVVIPS-CYBMUJFWSA-N 1 0 283.843 4.450 50 0 CIAARO Cc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccccc1C ZINC000003736383 169910203 /nfs/dbraw/zinc/91/02/03/169910203.db2.gz PVZNXLSVNOJUTF-GOSISDBHSA-N 1 0 276.383 4.020 50 0 CIAARO Cc1ccc([C@@H]2[NH2+][C@H](c3ccc(C)cc3)C[C@H](O)[C@@H]2C)cc1 ZINC000004176957 169941306 /nfs/dbraw/zinc/94/13/06/169941306.db2.gz XUTBFEKNQJBEOI-MVJPYGJCSA-N 1 0 295.426 4.076 50 0 CIAARO Cn1c(-c2ccccc2)c2c(c1-c1ccccc1)C[NH+](C)C2 ZINC000004453142 169968956 /nfs/dbraw/zinc/96/89/56/169968956.db2.gz NBMQVBWJDXDAJP-UHFFFAOYSA-N 1 0 288.394 4.305 50 0 CIAARO c1ccc(-c2ccccc2OCC[NH+]2CCCCC2)cc1 ZINC000004845271 170029524 /nfs/dbraw/zinc/02/95/24/170029524.db2.gz SWULEDJUVVAILC-UHFFFAOYSA-N 1 0 281.399 4.218 50 0 CIAARO C[C@H](C[NH2+]Cc1ccco1)COc1cccc2ccccc21 ZINC000004863134 170032424 /nfs/dbraw/zinc/03/24/24/170032424.db2.gz OYZIZJFUBNLSCM-OAHLLOKOSA-N 1 0 295.382 4.238 50 0 CIAARO CCCC[NH2+]Cc1cc(Cl)c(OCC)c(OCC)c1 ZINC000004867741 170033141 /nfs/dbraw/zinc/03/31/41/170033141.db2.gz FWOQOYKCJIBERW-UHFFFAOYSA-N 1 0 285.815 4.027 50 0 CIAARO Cc1ccc(C(C)(C)C)c(OCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000004905965 170039204 /nfs/dbraw/zinc/03/92/04/170039204.db2.gz PICXSYRGOPRWNV-INIZCTEOSA-N 1 0 289.463 4.403 50 0 CIAARO Cc1cc(OCC[N@@H+]2CCC[C@H](C)C2)cc(C(C)C)c1 ZINC000004912923 170040519 /nfs/dbraw/zinc/04/05/19/170040519.db2.gz IMGKDVFIGIDJBQ-HNNXBMFYSA-N 1 0 275.436 4.229 50 0 CIAARO CCn1c2ccccc2c2cc(C[NH2+]C3CC3)ccc21 ZINC000004942802 170043353 /nfs/dbraw/zinc/04/33/53/170043353.db2.gz GFCXIVYBUDKYLJ-UHFFFAOYSA-N 1 0 264.372 4.066 50 0 CIAARO COc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000004951347 170044814 /nfs/dbraw/zinc/04/48/14/170044814.db2.gz RHNSFMAVUHCGTH-UHFFFAOYSA-N 1 0 295.304 4.004 50 0 CIAARO Clc1ccc(C[NH+]2CCCCCC2)cc1Cl ZINC000004977605 170048280 /nfs/dbraw/zinc/04/82/80/170048280.db2.gz HKMNBLISVMJGKY-UHFFFAOYSA-N 1 0 258.192 4.369 50 0 CIAARO COc1ccccc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004977670 170048332 /nfs/dbraw/zinc/04/83/32/170048332.db2.gz ZCIBGRWXWUJAEJ-UHFFFAOYSA-N 1 0 295.426 4.150 50 0 CIAARO CCc1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000004982743 170048409 /nfs/dbraw/zinc/04/84/09/170048409.db2.gz WEBUPABSYITKGV-IBGZPJMESA-N 1 0 280.415 4.371 50 0 CIAARO COc1ccc(C[N@H+](C)C2CCCCC2)c(C)c1C ZINC000004989110 170050189 /nfs/dbraw/zinc/05/01/89/170050189.db2.gz UAGMUBGSIRLFRR-UHFFFAOYSA-N 1 0 261.409 4.077 50 0 CIAARO c1[nH]c2ccccc2c1CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000004989386 170050197 /nfs/dbraw/zinc/05/01/97/170050197.db2.gz CLBYLBDEDFBADM-UHFFFAOYSA-N 1 0 294.442 4.125 50 0 CIAARO Cc1ccccc1O[C@H](C)CC[C@H](C)[NH+]1CCCCC1 ZINC000005024293 170057192 /nfs/dbraw/zinc/05/71/92/170057192.db2.gz JKCBNKAMCPUOFC-DLBZAZTESA-N 1 0 275.436 4.417 50 0 CIAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+]CCc2ccccc2)o1 ZINC000005031706 170058831 /nfs/dbraw/zinc/05/88/31/170058831.db2.gz MLJUFFMOXHOUKF-OAHLLOKOSA-N 1 0 285.431 4.477 50 0 CIAARO CC[C@@H]1CCCC[N@@H+]1[C@@H](C)C(=O)c1c[nH]c2ccccc12 ZINC000005562901 170114339 /nfs/dbraw/zinc/11/43/39/170114339.db2.gz KGJRLCFLZQGIOZ-UONOGXRCSA-N 1 0 284.403 4.004 50 0 CIAARO C[C@@H]1CCCC[N@@H+]1CCCOc1ccc2ccccc2c1 ZINC000005699971 170130520 /nfs/dbraw/zinc/13/05/20/170130520.db2.gz YMLHWGCQDQYTEV-MRXNPFEDSA-N 1 0 283.415 4.483 50 0 CIAARO CC[C@H](C)[NH2+]Cc1cccc(OC)c1OCc1ccccc1 ZINC000005907938 170153444 /nfs/dbraw/zinc/15/34/44/170153444.db2.gz ROHHIYFBSGMNPK-HNNXBMFYSA-N 1 0 299.414 4.162 50 0 CIAARO Clc1ccc(C[NH2+]Cc2ccccc2Cl)cc1 ZINC000005998347 170166608 /nfs/dbraw/zinc/16/66/08/170166608.db2.gz ZYALRSQQFJPCCX-UHFFFAOYSA-N 1 0 266.171 4.283 50 0 CIAARO C(=C/c1ccccc1)\C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000006227408 170184049 /nfs/dbraw/zinc/18/40/49/170184049.db2.gz KYBQHIBVMSBQAD-QPJJXVBHSA-N 1 0 267.416 4.258 50 0 CIAARO CCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000006430937 170200979 /nfs/dbraw/zinc/20/09/79/170200979.db2.gz QSLIFPIEOIOPRN-UHFFFAOYSA-N 1 0 289.806 4.419 50 0 CIAARO COc1ccc(CC[C@@H](C)[NH2+]CCC2=CCCCC2)cc1 ZINC000006667620 170224035 /nfs/dbraw/zinc/22/40/35/170224035.db2.gz INBCHUUDNAQZCA-MRXNPFEDSA-N 1 0 287.447 4.496 50 0 CIAARO COc1ccc(CC[C@H](C)[NH2+]CCC2=CCCCC2)cc1 ZINC000006667619 170224169 /nfs/dbraw/zinc/22/41/69/170224169.db2.gz INBCHUUDNAQZCA-INIZCTEOSA-N 1 0 287.447 4.496 50 0 CIAARO Fc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)o2)cc1 ZINC000006697035 170227053 /nfs/dbraw/zinc/22/70/53/170227053.db2.gz CHPJSIHPZQGYID-UHFFFAOYSA-N 1 0 281.330 4.376 50 0 CIAARO CCOc1ccc(Cl)cc1C[NH2+]Cc1ccc(C)cc1 ZINC000006697820 170227320 /nfs/dbraw/zinc/22/73/20/170227320.db2.gz COCJVQXXVNLGTE-UHFFFAOYSA-N 1 0 289.806 4.337 50 0 CIAARO CCc1cccc2c(C[NH2+]Cc3ccc(C)cc3)c[nH]c21 ZINC000006787322 170243622 /nfs/dbraw/zinc/24/36/22/170243622.db2.gz CFINETKBXRLPPN-UHFFFAOYSA-N 1 0 278.399 4.329 50 0 CIAARO CC(C)Oc1ccc([C@@H](CC[NH3+])C2CCCCC2)cc1 ZINC000006814286 170245712 /nfs/dbraw/zinc/24/57/12/170245712.db2.gz TVPLXFFKIHRXIQ-SFHVURJKSA-N 1 0 275.436 4.487 50 0 CIAARO Cc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006841132 170248107 /nfs/dbraw/zinc/24/81/07/170248107.db2.gz FIWHECBHUMYITH-UHFFFAOYSA-N 1 0 255.405 4.053 50 0 CIAARO C(=C/c1ccccc1)\C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000006889619 170253555 /nfs/dbraw/zinc/25/35/55/170253555.db2.gz VHOHRBNONVJAKT-QPJJXVBHSA-N 1 0 267.416 4.114 50 0 CIAARO C[C@H]([NH2+]C1CCCCCC1)C(=O)c1c[nH]c2ccccc21 ZINC000007043324 170263906 /nfs/dbraw/zinc/26/39/06/170263906.db2.gz WPHLOCJIEYNWFY-ZDUSSCGKSA-N 1 0 284.403 4.052 50 0 CIAARO CCCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1 ZINC000007261734 170273945 /nfs/dbraw/zinc/27/39/45/170273945.db2.gz KXLHPJVFMZBCFI-UHFFFAOYSA-N 1 0 299.414 4.164 50 0 CIAARO CCCCC[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000007261255 170273950 /nfs/dbraw/zinc/27/39/50/170273950.db2.gz GAHGUEXBQOVDBI-UHFFFAOYSA-N 1 0 276.207 4.282 50 0 CIAARO CCC[NH2+]Cc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000007262361 170274294 /nfs/dbraw/zinc/27/42/94/170274294.db2.gz ZDIRTAKUGRUFMP-UHFFFAOYSA-N 1 0 299.414 4.082 50 0 CIAARO CC(C)c1ccc(NC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000007378169 170280765 /nfs/dbraw/zinc/28/07/65/170280765.db2.gz DGJKOOLKZZINRV-HNNXBMFYSA-N 1 0 288.435 4.013 50 0 CIAARO CCOc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000007520707 170288023 /nfs/dbraw/zinc/28/80/23/170288023.db2.gz ZTWPQYZZZCWUAP-UHFFFAOYSA-N 1 0 263.425 4.390 50 0 CIAARO CCOc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)cc1OC ZINC000007521105 170288030 /nfs/dbraw/zinc/28/80/30/170288030.db2.gz IXCYCRKXDCREQQ-UHFFFAOYSA-N 1 0 293.451 4.398 50 0 CIAARO CC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000008227303 170325902 /nfs/dbraw/zinc/32/59/02/170325902.db2.gz ISSJGIORXDSMSD-UHFFFAOYSA-N 1 0 275.779 4.029 50 0 CIAARO CCOc1cc(C[NH2+]C2CCCC2)cc(Cl)c1OCC ZINC000008253871 170327524 /nfs/dbraw/zinc/32/75/24/170327524.db2.gz DYWXTSSDQFNTON-UHFFFAOYSA-N 1 0 297.826 4.170 50 0 CIAARO CC[C@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2ccccc2c1=O ZINC000008700827 170346752 /nfs/dbraw/zinc/34/67/52/170346752.db2.gz OTRSXBMAUMMCSO-AWEZNQCLSA-N 1 0 284.403 4.013 50 0 CIAARO Cc1ccc2c(=O)c(C[N@H+]3CCC[C@H](C)C3)c(C)[nH]c2c1C ZINC000008714133 170348556 /nfs/dbraw/zinc/34/85/56/170348556.db2.gz WBUZSRRTVMOMEV-LBPRGKRZSA-N 1 0 298.430 4.098 50 0 CIAARO CCc1ccc2[nH]c(C)c(C[N@@H+]3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000008714072 170348649 /nfs/dbraw/zinc/34/86/49/170348649.db2.gz KOPFGXWVVJXJMA-CYBMUJFWSA-N 1 0 298.430 4.043 50 0 CIAARO Cc1ccc(C)c2c(=O)c(C[NH+]3CCC(C)CC3)c(C)[nH]c12 ZINC000008717477 170349247 /nfs/dbraw/zinc/34/92/47/170349247.db2.gz GOOQMSFTOAWULO-UHFFFAOYSA-N 1 0 298.430 4.098 50 0 CIAARO Cc1ccc(C)c(OCCCC[NH+]2CCC(C)CC2)c1 ZINC000008734942 170351882 /nfs/dbraw/zinc/35/18/82/170351882.db2.gz BUYYGJOSNBWJRM-UHFFFAOYSA-N 1 0 275.436 4.194 50 0 CIAARO CC(C)[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000010435924 170406660 /nfs/dbraw/zinc/40/66/60/170406660.db2.gz KBLGQMFZMXKLMP-UHFFFAOYSA-N 1 0 289.806 4.417 50 0 CIAARO C[C@H](CCc1ccccc1)[NH2+]C[C@@H](C)c1ccccc1 ZINC000013718480 170581656 /nfs/dbraw/zinc/58/16/56/170581656.db2.gz UXGINOTUXUWUNC-IAGOWNOFSA-N 1 0 267.416 4.401 50 0 CIAARO Clc1ccc(CC[NH2+]Cc2cccs2)c(Cl)c1 ZINC000013722741 170581995 /nfs/dbraw/zinc/58/19/95/170581995.db2.gz SCUOHWIFKIOJMD-UHFFFAOYSA-N 1 0 286.227 4.387 50 0 CIAARO C[C@@H]([NH2+]Cc1cccc(O)c1)c1cccc2ccccc21 ZINC000020136919 171024537 /nfs/dbraw/zinc/02/45/37/171024537.db2.gz VWXDCAUTNHXEBP-CQSZACIVSA-N 1 0 277.367 4.396 50 0 CIAARO C[C@H]([NH2+]Cc1cccnc1)c1cccc2ccccc21 ZINC000020140733 171027994 /nfs/dbraw/zinc/02/79/94/171027994.db2.gz NNWOAKJUJDCVDK-AWEZNQCLSA-N 1 0 262.356 4.086 50 0 CIAARO Cc1ccc(OCC[C@H]2CCCC[NH2+]2)c(C(C)(C)C)c1 ZINC000020221562 171082897 /nfs/dbraw/zinc/08/28/97/171082897.db2.gz XUPKWVIKZGSDPG-OAHLLOKOSA-N 1 0 275.436 4.204 50 0 CIAARO Cc1noc(C)c1C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000020253282 171105778 /nfs/dbraw/zinc/10/57/78/171105778.db2.gz VVQVARPNNIQMRX-GFCCVEGCSA-N 1 0 280.371 4.295 50 0 CIAARO CC(C)[C@H](C)[NH2+][C@H](C)c1cccc(Br)c1 ZINC000020523302 171235883 /nfs/dbraw/zinc/23/58/83/171235883.db2.gz HMHOSIVUHLORTE-WDEREUQCSA-N 1 0 270.214 4.144 50 0 CIAARO COc1ccccc1CC[NH2+]Cc1cccc2ccccc21 ZINC000020585255 171258829 /nfs/dbraw/zinc/25/88/29/171258829.db2.gz XGBYKSPIGQVTCG-UHFFFAOYSA-N 1 0 291.394 4.181 50 0 CIAARO Cc1ccc(C(C)C)c(OCC[C@H]2CCCC[NH2+]2)c1 ZINC000020593596 171262975 /nfs/dbraw/zinc/26/29/75/171262975.db2.gz XFYKHTSQLPTGQC-OAHLLOKOSA-N 1 0 261.409 4.029 50 0 CIAARO CC[C@@H](C[N@H+](C)Cc1csc(C)n1)c1ccccc1 ZINC000020653841 171269345 /nfs/dbraw/zinc/26/93/45/171269345.db2.gz YTYHDGGJZRSSLW-AWEZNQCLSA-N 1 0 274.433 4.077 50 0 CIAARO CCCC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000020876008 171277307 /nfs/dbraw/zinc/27/73/07/171277307.db2.gz SMVZMKAMSZTOGI-UHFFFAOYSA-N 1 0 263.768 4.490 50 0 CIAARO CCCOc1ccccc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000020924314 171279857 /nfs/dbraw/zinc/27/98/57/171279857.db2.gz RYZXJTZBVHHLNI-UHFFFAOYSA-N 1 0 299.458 4.390 50 0 CIAARO CCCOc1ccc(C[NH2+]C(C)(C)CC)cc1Cl ZINC000020925755 171280544 /nfs/dbraw/zinc/28/05/44/171280544.db2.gz CALWLHLGROCSDG-UHFFFAOYSA-N 1 0 269.816 4.407 50 0 CIAARO CCCOc1c(Cl)cc(C[NH2+][C@H](C)CC)cc1OCC ZINC000020931953 171281220 /nfs/dbraw/zinc/28/12/20/171281220.db2.gz CYSQIPLPSVJLPW-GFCCVEGCSA-N 1 0 299.842 4.416 50 0 CIAARO CCn1cc(C[NH2+]C2CCCCCC2)c2ccccc21 ZINC000020935190 171281502 /nfs/dbraw/zinc/28/15/02/171281502.db2.gz XXNMNPYKDSMPLN-UHFFFAOYSA-N 1 0 270.420 4.474 50 0 CIAARO CCCCCC[NH2+]Cc1cn(CC)c2ccccc12 ZINC000020935093 171281534 /nfs/dbraw/zinc/28/15/34/171281534.db2.gz AODFKHDDQRLPSQ-UHFFFAOYSA-N 1 0 258.409 4.331 50 0 CIAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(C)c(C)c1 ZINC000021719736 171320139 /nfs/dbraw/zinc/32/01/39/171320139.db2.gz VDSXZKUHMKSJAV-KRWDZBQOSA-N 1 0 284.403 4.245 50 0 CIAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1 ZINC000021720842 171320468 /nfs/dbraw/zinc/32/04/68/171320468.db2.gz RYSKJUXEPKOFKF-INIZCTEOSA-N 1 0 284.403 4.191 50 0 CIAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccccc1F ZINC000021720910 171320485 /nfs/dbraw/zinc/32/04/85/171320485.db2.gz FKWWIBFCGZYWFU-OAHLLOKOSA-N 1 0 288.366 4.022 50 0 CIAARO Cc1ccc([C@H](C)[NH2+][C@@H](C)CCc2ccco2)cc1 ZINC000021797746 171325242 /nfs/dbraw/zinc/32/52/42/171325242.db2.gz SOZJHSAGRRZPDQ-GJZGRUSLSA-N 1 0 257.377 4.260 50 0 CIAARO COc1cccc(C[NH2+]C(C)C)c1OCc1ccccc1C ZINC000032184712 171720474 /nfs/dbraw/zinc/72/04/74/171720474.db2.gz YXDJGLKSJHXQJI-UHFFFAOYSA-N 1 0 299.414 4.081 50 0 CIAARO CC(C)[NH2+]Cc1cc(Cl)cc(Cl)c1OC(C)C ZINC000035662160 172340477 /nfs/dbraw/zinc/34/04/77/172340477.db2.gz RQCOUTONYZJFKR-UHFFFAOYSA-N 1 0 276.207 4.279 50 0 CIAARO CCCCC[C@H]([NH2+]Cc1cccnc1)c1ccccc1 ZINC000037232207 173051413 /nfs/dbraw/zinc/05/14/13/173051413.db2.gz IIRJWAVDSRAORT-SFHVURJKSA-N 1 0 268.404 4.493 50 0 CIAARO CCOc1cccc(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)c1 ZINC000037505667 173240814 /nfs/dbraw/zinc/24/08/14/173240814.db2.gz HGOCTQLFKYZQJE-SUMWQHHRSA-N 1 0 285.387 4.092 50 0 CIAARO [NH3+][C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000037533910 173254682 /nfs/dbraw/zinc/25/46/82/173254682.db2.gz HGFULFVZTZODTI-CQSZACIVSA-N 1 0 284.161 4.375 50 0 CIAARO CCC(CC)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000038001608 173964529 /nfs/dbraw/zinc/96/45/29/173964529.db2.gz TUCYCOOZVWQETN-MRVPVSSYSA-N 1 0 276.243 4.350 50 0 CIAARO COc1ccccc1C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000040007507 174182441 /nfs/dbraw/zinc/18/24/41/174182441.db2.gz VTRSEOZZZSRURO-CYBMUJFWSA-N 1 0 273.351 4.027 50 0 CIAARO CCOc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OC(C)C ZINC000040729166 174388159 /nfs/dbraw/zinc/38/81/59/174388159.db2.gz YGIWTHKMLQWRLP-UHFFFAOYSA-N 1 0 299.842 4.414 50 0 CIAARO CCC(C)(C)[NH2+]Cc1cc(Cl)c(OC(C)C)c(OC)c1 ZINC000040729478 174388322 /nfs/dbraw/zinc/38/83/22/174388322.db2.gz LIMNXCJCEJDPQW-UHFFFAOYSA-N 1 0 299.842 4.414 50 0 CIAARO CC[C@H](C)[NH2+]Cc1ccccc1OCc1ccccc1C ZINC000040731604 174388775 /nfs/dbraw/zinc/38/87/75/174388775.db2.gz SWFFDARFFSKVCC-INIZCTEOSA-N 1 0 283.415 4.462 50 0 CIAARO c1ccc(Cc2ccc(OCC[C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000042773283 174872289 /nfs/dbraw/zinc/87/22/89/174872289.db2.gz WDQVIUHVZWNXLN-LJQANCHMSA-N 1 0 295.426 4.046 50 0 CIAARO c1sc2ccccc2c1C[NH2+]CCOc1ccccc1 ZINC000049943260 175505267 /nfs/dbraw/zinc/50/52/67/175505267.db2.gz OSQVMXHSHHAKIY-UHFFFAOYSA-N 1 0 283.396 4.070 50 0 CIAARO c1ccc2c[n+](C34CC5CC(CC(C5)C3)C4)ccc2c1 ZINC000065336773 175709493 /nfs/dbraw/zinc/70/94/93/175709493.db2.gz HVRSIWPDKDEACR-UHFFFAOYSA-N 1 0 264.392 4.053 50 0 CIAARO CC(=O)c1sccc1-c1cccc([C@@H](C)[NH+](C)C)c1 ZINC000065509297 175745767 /nfs/dbraw/zinc/74/57/67/175745767.db2.gz OFQVWXHQTFHNPH-LLVKDONJSA-N 1 0 273.401 4.240 50 0 CIAARO c1ccc(OCc2cccnc2)c(C[NH2+]C2CCCCC2)c1 ZINC000078877184 177399581 /nfs/dbraw/zinc/39/95/81/177399581.db2.gz MFBFUNBYWFFFPE-UHFFFAOYSA-N 1 0 296.414 4.083 50 0 CIAARO Cc1ccccc1C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000096027761 265326910 /nfs/dbraw/zinc/32/69/10/265326910.db2.gz RUNPWCUCWVUEPS-LJQANCHMSA-N 1 0 281.399 4.038 50 0 CIAARO COC(C)(C)C[C@H](C)[NH2+]C1(c2ccccc2Cl)CC1 ZINC000534661283 328349347 /nfs/dbraw/zinc/34/93/47/328349347.db2.gz SHESAAHFDFTQEG-LBPRGKRZSA-N 1 0 281.827 4.122 50 0 CIAARO O=[N+](Nc1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000256787374 328758036 /nfs/dbraw/zinc/75/80/36/328758036.db2.gz WXTSUWAUFUIUBV-UHFFFAOYSA-N 1 0 268.123 4.431 50 0 CIAARO Cc1ccc(C[NH2+]Cc2cc(F)cc(Cl)c2)cc1F ZINC000485724938 331922615 /nfs/dbraw/zinc/92/26/15/331922615.db2.gz BHGXCRCCBFJGBK-UHFFFAOYSA-N 1 0 281.733 4.216 50 0 CIAARO CC[C@H](C)c1cc(Cl)ccc1OCC1CC[NH2+]CC1 ZINC000042775429 567891912 /nfs/dbraw/zinc/89/19/12/567891912.db2.gz YUVAMLBTRDVZTO-LBPRGKRZSA-N 1 0 281.827 4.232 50 0 CIAARO Cc1cc(OCCCC[NH2+]C(C)C)cc(C(C)C)c1 ZINC000003000322 570278347 /nfs/dbraw/zinc/27/83/47/570278347.db2.gz GCRAXYJYGWUDKD-UHFFFAOYSA-N 1 0 263.425 4.275 50 0 CIAARO Cc1nc([C@@H](C)[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)co1 ZINC000241965554 566826187 /nfs/dbraw/zinc/82/61/87/566826187.db2.gz UTTXTZRURCJWTN-HBLVNOBASA-N 1 0 288.435 4.239 50 0 CIAARO C[C@H](Cc1ccccc1)[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC000005751596 566930105 /nfs/dbraw/zinc/93/01/05/566930105.db2.gz ISOADSNHMUZLGZ-AYAHVVACSA-N 1 0 283.459 4.424 50 0 CIAARO C[C@H]1[C@H](O)[C@@H](C)[C@@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1 ZINC000239212611 566965499 /nfs/dbraw/zinc/96/54/99/566965499.db2.gz TUHNPNHADQMPAJ-QHYPWWSFSA-N 1 0 295.426 4.048 50 0 CIAARO CCC[C@@H]1[C@H](O)C[C@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000239433971 566966666 /nfs/dbraw/zinc/96/66/66/566966666.db2.gz YVHNHXUETQZHOA-WTGUMLROSA-N 1 0 295.426 4.240 50 0 CIAARO COc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]2c2ccccc2)cc1F ZINC000241837533 566967772 /nfs/dbraw/zinc/96/77/72/566967772.db2.gz SKVZOZOOTZKTAW-XKQJLSEDSA-N 1 0 299.389 4.289 50 0 CIAARO Cc1occc1C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000089540718 566984421 /nfs/dbraw/zinc/98/44/21/566984421.db2.gz JCTYDSYRZWSKIV-UHFFFAOYSA-N 1 0 286.762 4.079 50 0 CIAARO CCC[N@@H+](Cc1cc(C)ccc1C)C[C@@H](O)c1ccccc1 ZINC000036097419 566993398 /nfs/dbraw/zinc/99/33/98/566993398.db2.gz WLAPPXCTYVRYOQ-HXUWFJFHSA-N 1 0 297.442 4.249 50 0 CIAARO CCC[N@@H+](Cc1ccc(C)cc1C)C[C@@H](O)c1ccccc1 ZINC000036100784 566993796 /nfs/dbraw/zinc/99/37/96/566993796.db2.gz HCELJJUSYCLHEU-HXUWFJFHSA-N 1 0 297.442 4.249 50 0 CIAARO C[N@H+](Cc1csc2c1CCCC2)Cc1ccccc1 ZINC000006895098 567001103 /nfs/dbraw/zinc/00/11/03/567001103.db2.gz AHWXLTGADGGZAV-UHFFFAOYSA-N 1 0 271.429 4.259 50 0 CIAARO CS[C@H]1CCCC[N@H+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000170604685 567014325 /nfs/dbraw/zinc/01/43/25/567014325.db2.gz NOHCVXTXNWKVKB-HOTGVXAUSA-N 1 0 297.508 4.086 50 0 CIAARO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccccc2Cl)cc1 ZINC000076082215 567030405 /nfs/dbraw/zinc/03/04/05/567030405.db2.gz PSZICKGQVHJBIS-GUYCJALGSA-N 1 0 289.806 4.033 50 0 CIAARO CC[C@H](C)[NH2+]CCCOc1ccc(Cl)c(C)c1C ZINC000002822304 567036929 /nfs/dbraw/zinc/03/69/29/567036929.db2.gz VKAHDPBHKOBJDA-NSHDSACASA-N 1 0 269.816 4.114 50 0 CIAARO CC[C@@H](C)[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000002825451 567037256 /nfs/dbraw/zinc/03/72/56/567037256.db2.gz FEJOYVXRHFMRAZ-MRVPVSSYSA-N 1 0 296.625 4.414 50 0 CIAARO C[C@H]([NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)c1cccnc1 ZINC000095419425 567039354 /nfs/dbraw/zinc/03/93/54/567039354.db2.gz ALHYKSMQCHIZQC-WMLDXEAASA-N 1 0 294.398 4.179 50 0 CIAARO Fc1cccc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c1F ZINC000170642040 567044482 /nfs/dbraw/zinc/04/44/82/567044482.db2.gz LASJGHUTAQEZBU-MRXNPFEDSA-N 1 0 287.353 4.172 50 0 CIAARO c1ccc2c(c1)[nH]c1c2CC[N@H+]2CC[C@H]3CCCC[C@H]3[C@@H]12 ZINC000071772034 567091498 /nfs/dbraw/zinc/09/14/98/567091498.db2.gz UVFKPZSECULWBR-LPMFXHHGSA-N 1 0 280.415 4.277 50 0 CIAARO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC000253427312 567098081 /nfs/dbraw/zinc/09/80/81/567098081.db2.gz DZBJOCMBUKBLIO-STEAMIEHSA-N 1 0 265.400 4.324 50 0 CIAARO CCc1ccc(C2=CC[N@H+](Cc3c(C)noc3C)CC2)cc1 ZINC000093263446 567121045 /nfs/dbraw/zinc/12/10/45/567121045.db2.gz ZKRPUGJEJWUHSU-UHFFFAOYSA-N 1 0 296.414 4.143 50 0 CIAARO CC[C@H](C)[NH2+]CCOC(c1ccccc1)c1ccccc1 ZINC000096026376 567136595 /nfs/dbraw/zinc/13/65/95/567136595.db2.gz CKTOBXJLONMQCY-INIZCTEOSA-N 1 0 283.415 4.181 50 0 CIAARO CCC[NH2+]CCCOc1cccc(OCc2ccccc2)c1 ZINC000096028208 567138275 /nfs/dbraw/zinc/13/82/75/567138275.db2.gz ALZWBHBRWKUTDC-UHFFFAOYSA-N 1 0 299.414 4.034 50 0 CIAARO c1ccc(OCCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000096027205 567138903 /nfs/dbraw/zinc/13/89/03/567138903.db2.gz HISWYPLCNMURNC-LJQANCHMSA-N 1 0 295.426 4.335 50 0 CIAARO O=C(c1ccccc1)[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000057599101 567159915 /nfs/dbraw/zinc/15/99/15/567159915.db2.gz COFDBLDWYLXQOO-IBGZPJMESA-N 1 0 293.410 4.487 50 0 CIAARO CC[C@@H]1CC[C@]2(C)c3[nH]c4ccccc4c3CCC[N@H+]2C1 ZINC000004044457 567184742 /nfs/dbraw/zinc/18/47/42/567184742.db2.gz VWIGIUHQLACFJB-AUUYWEPGSA-N 1 0 282.431 4.451 50 0 CIAARO CC[C@H]1CC[C@@]2(C)c3[nH]c4ccccc4c3CCC[N@H+]2C1 ZINC000004044465 567185667 /nfs/dbraw/zinc/18/56/67/567185667.db2.gz VWIGIUHQLACFJB-LIRRHRJNSA-N 1 0 282.431 4.451 50 0 CIAARO C[NH+](C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000000005355 567816467 /nfs/dbraw/zinc/81/64/67/567816467.db2.gz VMZVBRIIHDRYGK-UHFFFAOYSA-N 1 0 263.425 4.049 50 0 CIAARO Cc1ccc2[nH+]c(C)cc(N3CCC(C)CC3)c2c1 ZINC000000120805 567818886 /nfs/dbraw/zinc/81/88/86/567818886.db2.gz MOIQHMRKXHSQDP-UHFFFAOYSA-N 1 0 254.377 4.088 50 0 CIAARO CCOc1ccc(N2C=[NH+]c3ccc(OCC)cc3C2)cc1 ZINC000000134765 567819867 /nfs/dbraw/zinc/81/98/67/567819867.db2.gz GJIAYCMUOARMFM-UHFFFAOYSA-N 1 0 296.370 4.164 50 0 CIAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000000221425 567822477 /nfs/dbraw/zinc/82/24/77/567822477.db2.gz OOKABKZGYLPYLO-RHSMWYFYSA-N 1 0 292.854 4.041 50 0 CIAARO CC[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(C)c1C ZINC000000278663 567823540 /nfs/dbraw/zinc/82/35/40/567823540.db2.gz KVBAQYHCSLBGOU-INIZCTEOSA-N 1 0 261.409 4.077 50 0 CIAARO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(C)c1C ZINC000000278664 567823737 /nfs/dbraw/zinc/82/37/37/567823737.db2.gz KVBAQYHCSLBGOU-MRXNPFEDSA-N 1 0 261.409 4.077 50 0 CIAARO C[C@@H](Cc1ccccc1Sc1ccccc1O)[NH+](C)C ZINC000000347797 567826243 /nfs/dbraw/zinc/82/62/43/567826243.db2.gz IYZPSKNKXWSFJB-ZDUSSCGKSA-N 1 0 287.428 4.036 50 0 CIAARO Cc1ccc(C)c(C[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000000758836 567834744 /nfs/dbraw/zinc/83/47/44/567834744.db2.gz PEYWHCUXTCZSNH-IBGZPJMESA-N 1 0 280.415 4.426 50 0 CIAARO Cc1ccc(C[n+]2cccc(-c3ccccc3)c2)c(C)c1 ZINC000001025931 567835731 /nfs/dbraw/zinc/83/57/31/567835731.db2.gz MABYJMBBOLWQDW-UHFFFAOYSA-N 1 0 274.387 4.306 50 0 CIAARO C[C@H]([NH2+]C1CCSCC1)c1ccc2c(c1)CCCC2 ZINC000035011870 567836595 /nfs/dbraw/zinc/83/65/95/567836595.db2.gz HHNOWMVYRCEMDV-ZDUSSCGKSA-N 1 0 275.461 4.112 50 0 CIAARO CC[C@]1(C)C[C@@](CC[NH2+]Cc2ccco2)(C(C)C)CCO1 ZINC000002109815 567844696 /nfs/dbraw/zinc/84/46/96/567844696.db2.gz BDNLJAUVIBLENP-MSOLQXFVSA-N 1 0 293.451 4.381 50 0 CIAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)c1cccc(F)c1 ZINC000002514508 567846200 /nfs/dbraw/zinc/84/62/00/567846200.db2.gz VCUWULRGFKQHSV-UHFFFAOYSA-N 1 0 297.373 4.043 50 0 CIAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)C1CCCCC1 ZINC000002514595 567846305 /nfs/dbraw/zinc/84/63/05/567846305.db2.gz VQAYWKUGGJTVOB-UHFFFAOYSA-N 1 0 271.404 4.045 50 0 CIAARO Cc1ccc(C(=O)c2ccc(C[NH+]3CCCC3)cc2)c(C)c1 ZINC000002514566 567846360 /nfs/dbraw/zinc/84/63/60/567846360.db2.gz VEERZCKFXKOZSF-UHFFFAOYSA-N 1 0 293.410 4.130 50 0 CIAARO CC(C)=CCCCCCC[N@@H+]1CCCC[C@@H]1CCO ZINC000002498629 567846497 /nfs/dbraw/zinc/84/64/97/567846497.db2.gz GVLAJBXEZWGFLL-QGZVFWFLSA-N 1 0 267.457 4.140 50 0 CIAARO Cc1cc(C)cc(C(=O)c2ccccc2C[NH+]2CCCC2)c1 ZINC000002515567 567846769 /nfs/dbraw/zinc/84/67/69/567846769.db2.gz NCCUHSNOFQNJTJ-UHFFFAOYSA-N 1 0 293.410 4.130 50 0 CIAARO Cc1cccc(C(=O)c2ccccc2C[NH+]2CCCCC2)c1 ZINC000002515489 567846805 /nfs/dbraw/zinc/84/68/05/567846805.db2.gz FMAFZQVOZRTJIY-UHFFFAOYSA-N 1 0 293.410 4.212 50 0 CIAARO CC[C@@H](C)[NH2+]CCCOc1c(C)cc(Cl)cc1Cl ZINC000002821850 567849512 /nfs/dbraw/zinc/84/95/12/567849512.db2.gz HYMIEBAPNMLUMN-LLVKDONJSA-N 1 0 290.234 4.459 50 0 CIAARO CCCC[NH2+]CCCOc1ccc(C(C)(C)C)cc1 ZINC000002900192 567850342 /nfs/dbraw/zinc/85/03/42/567850342.db2.gz UHSGWLVZEYEZLA-UHFFFAOYSA-N 1 0 263.425 4.143 50 0 CIAARO Clc1cccc(OCCCC[NH+]2CCCC2)c1Cl ZINC000002932367 567850487 /nfs/dbraw/zinc/85/04/87/567850487.db2.gz VSWPMRLWTJUABS-UHFFFAOYSA-N 1 0 288.218 4.248 50 0 CIAARO C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)Cc1ccccc1 ZINC000062169705 567852136 /nfs/dbraw/zinc/85/21/36/567852136.db2.gz GDDSUMJFPAHCRT-IRXDYDNUSA-N 1 0 267.416 4.229 50 0 CIAARO CCC[C@@H]1[C@H](O)C[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000004119592 567855423 /nfs/dbraw/zinc/85/54/23/567855423.db2.gz YVHNHXUETQZHOA-UAFMIMERSA-N 1 0 295.426 4.240 50 0 CIAARO COc1ccccc1C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000004321655 567856713 /nfs/dbraw/zinc/85/67/13/567856713.db2.gz NKIITIVYWXGABX-UHFFFAOYSA-N 1 0 295.426 4.383 50 0 CIAARO Fc1ccccc1COc1ccccc1C[NH2+]C1CCCC1 ZINC000004657423 567858773 /nfs/dbraw/zinc/85/87/73/567858773.db2.gz YMOIDZVTSKPKKH-UHFFFAOYSA-N 1 0 299.389 4.437 50 0 CIAARO CCC(C)(C)[NH2+]Cc1cc(Cl)ccc1OC(C)C ZINC000040730440 567890761 /nfs/dbraw/zinc/89/07/61/567890761.db2.gz AVJXUCAFGXAYIG-UHFFFAOYSA-N 1 0 269.816 4.405 50 0 CIAARO COc1cc(C[NH2+]C(C)C)ccc1OCc1cccc(C)c1 ZINC000010436146 567861437 /nfs/dbraw/zinc/86/14/37/567861437.db2.gz WMHOOGIIJMDYJM-UHFFFAOYSA-N 1 0 299.414 4.081 50 0 CIAARO CCOc1ccc(C[NH2+]Cc2ccc(C)cc2)cc1Cl ZINC000010475383 567861733 /nfs/dbraw/zinc/86/17/33/567861733.db2.gz YOFBPOAGWIAWQA-UHFFFAOYSA-N 1 0 289.806 4.337 50 0 CIAARO COc1ccc(C[NH2+]CC2(c3ccccc3)CCCC2)cc1 ZINC000004416160 567865268 /nfs/dbraw/zinc/86/52/68/567865268.db2.gz QSNFULORGUFNHL-UHFFFAOYSA-N 1 0 295.426 4.297 50 0 CIAARO CCOc1cc(C[NH2+]CCC(C)C)cc(Cl)c1OCC ZINC000013724324 567867549 /nfs/dbraw/zinc/86/75/49/567867549.db2.gz JOTGLLKEPPIZAO-UHFFFAOYSA-N 1 0 299.842 4.273 50 0 CIAARO CCCCOCCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000013719576 567867561 /nfs/dbraw/zinc/86/75/61/567867561.db2.gz NFCQFLJKUDCOET-UHFFFAOYSA-N 1 0 290.234 4.290 50 0 CIAARO Brc1ccc(C[NH2+]CCC2=CCCCC2)cc1 ZINC000013723425 567867594 /nfs/dbraw/zinc/86/75/94/567867594.db2.gz UXYDGPOVHSILDW-UHFFFAOYSA-N 1 0 294.236 4.429 50 0 CIAARO COc1c(Cl)cc(Cl)cc1C[NH2+]CCC(C)C ZINC000013724366 567867715 /nfs/dbraw/zinc/86/77/15/567867715.db2.gz IEQBGZUGUJSRQR-UHFFFAOYSA-N 1 0 276.207 4.138 50 0 CIAARO Cc1ccc(N[C@@H]2CCC[N@@H+](C3CCCC3)C2)cc1C ZINC000015065826 567870318 /nfs/dbraw/zinc/87/03/18/567870318.db2.gz YRSJSLMGGSRJIO-QGZVFWFLSA-N 1 0 272.436 4.122 50 0 CIAARO CCCc1cc([C@H]2CCCN2Cc2ccc(C)s2)no1 ZINC000015866866 567871376 /nfs/dbraw/zinc/87/13/76/567871376.db2.gz JZAWVNOSVZUJOI-MRXNPFEDSA-N 1 0 290.432 4.334 50 0 CIAARO FC(F)(F)c1cccc(CN2CCc3ccccc3C2)c1 ZINC000019537349 567878158 /nfs/dbraw/zinc/87/81/58/567878158.db2.gz ZIUJIYNWMMXATB-UHFFFAOYSA-N 1 0 291.316 4.264 50 0 CIAARO CCCC[NH2+]CCOc1ccc(C(C)(C)CC)cc1 ZINC000019737888 567878738 /nfs/dbraw/zinc/87/87/38/567878738.db2.gz LARVMHOIIUJJPH-UHFFFAOYSA-N 1 0 263.425 4.143 50 0 CIAARO COc1ccccc1/C=C/C[NH2+][C@H](C)c1ccccc1 ZINC000019927584 567880257 /nfs/dbraw/zinc/88/02/57/567880257.db2.gz VAAIILWMHGUOSZ-INDWDQIESA-N 1 0 267.372 4.059 50 0 CIAARO C[C@H](Cc1ccsc1)[NH2+]CC[C@@H](C)CCCC(C)(C)O ZINC000032603595 567886523 /nfs/dbraw/zinc/88/65/23/567886523.db2.gz CQDXXQXLAOKWOK-LSDHHAIUSA-N 1 0 297.508 4.236 50 0 CIAARO CCCCC[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038001627 567890401 /nfs/dbraw/zinc/89/04/01/567890401.db2.gz RKYAEMDOWBXEQZ-VIFPVBQESA-N 1 0 276.243 4.351 50 0 CIAARO CCC(C)(C)[NH2+]Cc1ccc(OC(C)C)c(Cl)c1 ZINC000040731190 567890652 /nfs/dbraw/zinc/89/06/52/567890652.db2.gz WSOYMFKJNGIRSJ-UHFFFAOYSA-N 1 0 269.816 4.405 50 0 CIAARO CC(C)Oc1ccc(C[NH2+]C(C)(C)C)cc1Cl ZINC000040731019 567890769 /nfs/dbraw/zinc/89/07/69/567890769.db2.gz FQVQCPMESAXTBZ-UHFFFAOYSA-N 1 0 255.789 4.015 50 0 CIAARO CC(C)c1cc(Cl)ccc1OCC[C@H]1CCCC[NH2+]1 ZINC000042770919 567891711 /nfs/dbraw/zinc/89/17/11/567891711.db2.gz CQSWSXYEKJHAPZ-CQSZACIVSA-N 1 0 281.827 4.374 50 0 CIAARO CC[C@@H](C)c1cc(Cl)ccc1OCC1CC[NH2+]CC1 ZINC000042775425 567892002 /nfs/dbraw/zinc/89/20/02/567892002.db2.gz YUVAMLBTRDVZTO-GFCCVEGCSA-N 1 0 281.827 4.232 50 0 CIAARO CCOc1ccc(Cl)cc1C[NH2+]Cc1cccs1 ZINC000055562790 567894628 /nfs/dbraw/zinc/89/46/28/567894628.db2.gz UHXSJUMMBXIPCX-UHFFFAOYSA-N 1 0 281.808 4.090 50 0 CIAARO CCCC[NH+](CCCC)Cc1ccc2nc(N)sc2c1 ZINC000057327804 567894927 /nfs/dbraw/zinc/89/49/27/567894927.db2.gz BHNQWOVTSUTRCQ-UHFFFAOYSA-N 1 0 291.464 4.281 50 0 CIAARO Cn1cc(C[NH2+]Cc2ccccc2Cl)c2ccccc21 ZINC000057353178 567895126 /nfs/dbraw/zinc/89/51/26/567895126.db2.gz DXRQNOIXSCKLLD-UHFFFAOYSA-N 1 0 284.790 4.122 50 0 CIAARO Clc1cccc(C[NH2+]Cc2cccs2)c1Cl ZINC000057270636 567895143 /nfs/dbraw/zinc/89/51/43/567895143.db2.gz FEPYDEPMXNIQBV-UHFFFAOYSA-N 1 0 272.200 4.345 50 0 CIAARO CCC[N@H+](Cc1cn2cccc(C)c2n1)Cc1ccccc1 ZINC000058016204 567895438 /nfs/dbraw/zinc/89/54/38/567895438.db2.gz VLXVETCPMNMUDK-UHFFFAOYSA-N 1 0 293.414 4.055 50 0 CIAARO CCC(C)(C)[NH2+]Cc1ccc(OCc2cscn2)cc1 ZINC000058263908 567895796 /nfs/dbraw/zinc/89/57/96/567895796.db2.gz GPMNNQINFSTEBW-UHFFFAOYSA-N 1 0 290.432 4.000 50 0 CIAARO CC(C)CC[N@@H+]1Cc2ccc(NC(=O)CC(C)C)cc2C1 ZINC000058307559 567895816 /nfs/dbraw/zinc/89/58/16/567895816.db2.gz PUJVPZOYAUAAGP-UHFFFAOYSA-N 1 0 288.435 4.033 50 0 CIAARO Cc1nnc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)s1 ZINC000065385979 567898480 /nfs/dbraw/zinc/89/84/80/567898480.db2.gz CVOMAMVHGOBHLJ-LBPRGKRZSA-N 1 0 287.432 4.060 50 0 CIAARO CC(=O)c1ccc(F)cc1-c1cccc([C@H](C)[NH+](C)C)c1 ZINC000065407756 567898861 /nfs/dbraw/zinc/89/88/61/567898861.db2.gz YUKHJOVLGNSCNC-LBPRGKRZSA-N 1 0 285.362 4.318 50 0 CIAARO Cc1ccc(C)c([C@@H]([NH2+]C2CCCC2)c2cccnc2)c1 ZINC000065505602 567899649 /nfs/dbraw/zinc/89/96/49/567899649.db2.gz LFOPHHTZKYSGJN-IBGZPJMESA-N 1 0 280.415 4.320 50 0 CIAARO Cc1ccc(C)c([C@H]([NH2+]C2CCCC2)c2cccnc2)c1 ZINC000065505598 567899658 /nfs/dbraw/zinc/89/96/58/567899658.db2.gz LFOPHHTZKYSGJN-LJQANCHMSA-N 1 0 280.415 4.320 50 0 CIAARO c1ccc(COc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000004679283 567901408 /nfs/dbraw/zinc/90/14/08/567901408.db2.gz UZFWQRLJNSQIIX-UHFFFAOYSA-N 1 0 281.399 4.252 50 0 CIAARO CCCC[C@@H](CC)C[N@@H+]1CCCN[C@@]1(C)c1ccccc1 ZINC000071772435 567902085 /nfs/dbraw/zinc/90/20/85/567902085.db2.gz XSDKFZIGOKCVDM-IEBWSBKVSA-N 1 0 288.479 4.371 50 0 CIAARO C[C@@H]1CC(=C(c2ccccc2)c2ccccc2)C[N@@H+]1C ZINC000071772300 567902275 /nfs/dbraw/zinc/90/22/75/567902275.db2.gz LWESAKMGWPISLC-OAHLLOKOSA-N 1 0 263.384 4.213 50 0 CIAARO CCCC[C@H](CC)C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000095444341 567908913 /nfs/dbraw/zinc/90/89/13/567908913.db2.gz QXTHAJILGMYHSN-GJZGRUSLSA-N 1 0 263.425 4.046 50 0 CIAARO COc1ccc(C[NH2+][C@H](CC(C)C)c2ccccc2)cc1O ZINC000060844264 567911071 /nfs/dbraw/zinc/91/10/71/567911071.db2.gz RZLBLFLBDQFPGF-QGZVFWFLSA-N 1 0 299.414 4.278 50 0 CIAARO CCc1nc2c3ccccc3oc2c(Nc2cc[nH+]cc2)n1 ZINC000084459698 567915374 /nfs/dbraw/zinc/91/53/74/567915374.db2.gz IXQRUZNOPZPWPH-UHFFFAOYSA-N 1 0 290.326 4.077 50 0 CIAARO CC(C)[N@H+](Cc1ccccc1)Cc1ccnc(Cl)c1 ZINC000050166111 567925478 /nfs/dbraw/zinc/92/54/78/567925478.db2.gz VSMRJROQLBFQLD-UHFFFAOYSA-N 1 0 274.795 4.146 50 0 CIAARO C[C@H]([NH2+]Cc1ccccc1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000408525909 567927720 /nfs/dbraw/zinc/92/77/20/567927720.db2.gz MYJFLGKNRABFFE-KKXDTOCCSA-N 1 0 269.363 4.108 50 0 CIAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]C1CCCCCC1 ZINC000000766463 567936761 /nfs/dbraw/zinc/93/67/61/567936761.db2.gz YHRYIXVPDSZPQF-AWEZNQCLSA-N 1 0 261.409 4.026 50 0 CIAARO C[C@H](C[NH2+]CCc1c[nH]c2ccccc12)c1ccccc1 ZINC000010475282 567939690 /nfs/dbraw/zinc/93/96/90/567939690.db2.gz AKRXHLDBKSHANN-OAHLLOKOSA-N 1 0 278.399 4.104 50 0 CIAARO COc1ccc(CC[C@@H](C)[NH2+]C2CCCCCC2)cc1 ZINC000012383427 567940159 /nfs/dbraw/zinc/94/01/59/567940159.db2.gz ZBTRSWWGKXTPGY-OAHLLOKOSA-N 1 0 275.436 4.329 50 0 CIAARO CC(C)(C)[NH2+]CCCOc1ccccc1C(C)(C)C ZINC000012381779 567940256 /nfs/dbraw/zinc/94/02/56/567940256.db2.gz BXLHGPGDZFSGJC-UHFFFAOYSA-N 1 0 263.425 4.141 50 0 CIAARO COC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccccc2C)cc1 ZINC000159009558 567941961 /nfs/dbraw/zinc/94/19/61/567941961.db2.gz SCZPPELBEPUPOE-AWEZNQCLSA-N 1 0 298.386 4.024 50 0 CIAARO C[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2[C@H]3CC=CC[C@H]3C[N@@H+]21 ZINC000000519142 567942184 /nfs/dbraw/zinc/94/21/84/567942184.db2.gz PVBRJYQZDMXBMF-BZIRYSOJSA-N 1 0 278.399 4.052 50 0 CIAARO COc1ccccc1CC[NH2+]Cc1ccc(C(C)C)cc1 ZINC000013719121 567942270 /nfs/dbraw/zinc/94/22/70/567942270.db2.gz CCGXLLJKANCWPX-UHFFFAOYSA-N 1 0 283.415 4.151 50 0 CIAARO c1ccc(C[C@@H]([NH2+]Cc2ccncc2)c2ccccc2)cc1 ZINC000019893025 567944952 /nfs/dbraw/zinc/94/49/52/567944952.db2.gz YKNIMUPCFCLGGC-HXUWFJFHSA-N 1 0 288.394 4.155 50 0 CIAARO C[C@H]([NH2+]Cc1ccccn1)c1cccc2ccccc21 ZINC000019957220 567945122 /nfs/dbraw/zinc/94/51/22/567945122.db2.gz HHFORQAVVULLGQ-AWEZNQCLSA-N 1 0 262.356 4.086 50 0 CIAARO c1ccc(-c2ncc3c(n2)CCC[C@H]3[NH2+]C2CCCC2)cc1 ZINC000012076301 567945637 /nfs/dbraw/zinc/94/56/37/567945637.db2.gz UCQKGDZBHHZQQD-QGZVFWFLSA-N 1 0 293.414 4.053 50 0 CIAARO CS[C@@H]1CCCC[N@@H+]([C@@H]2CCCc3nc(C)sc32)C1 ZINC000225346872 567953047 /nfs/dbraw/zinc/95/30/47/567953047.db2.gz ROAOUQOHGCJAGT-TZMCWYRMSA-N 1 0 296.505 4.046 50 0 CIAARO COc1cc(C)c(C[NH2+][C@@H]2CCCc3ccccc32)cc1C ZINC000004685518 570216033 /nfs/dbraw/zinc/21/60/33/570216033.db2.gz JLHISEUMRGTBRM-LJQANCHMSA-N 1 0 295.426 4.479 50 0 CIAARO Cc1cc(Cl)ccc1C(=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000011839947 570220724 /nfs/dbraw/zinc/22/07/24/570220724.db2.gz CVYWQMRDUUMZCA-ZDUSSCGKSA-N 1 0 291.822 4.096 50 0 CIAARO CSc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)cc1 ZINC000052009762 570238599 /nfs/dbraw/zinc/23/85/99/570238599.db2.gz HGVFOVCFJNCHOA-OAHLLOKOSA-N 1 0 288.416 4.042 50 0 CIAARO CCc1ccc(C[N@H+](Cc2ccco2)[C@H](C)C(C)C)nc1 ZINC000055152935 570241028 /nfs/dbraw/zinc/24/10/28/570241028.db2.gz FVERRLXRYDMWFB-OAHLLOKOSA-N 1 0 286.419 4.284 50 0 CIAARO Clc1ccc([C@H]2[NH2+]Cc3ccccc3-n3cccc32)cc1 ZINC000055211085 570241580 /nfs/dbraw/zinc/24/15/80/570241580.db2.gz CBEYOUYPCODNPD-GOSISDBHSA-N 1 0 294.785 4.323 50 0 CIAARO Cc1ncsc1C[NH2+][C@H](C)c1coc2ccccc21 ZINC000585135029 570252197 /nfs/dbraw/zinc/25/21/97/570252197.db2.gz UQSVOCXTIDSWMA-SNVBAGLBSA-N 1 0 272.373 4.049 50 0 CIAARO Cc1ccc(Cl)c(OCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000002821893 570371397 /nfs/dbraw/zinc/37/13/97/570371397.db2.gz FKSIZFPPTGLMNJ-AWEZNQCLSA-N 1 0 281.827 4.149 50 0 CIAARO Cc1nc2c(s1)[C@@H]([NH2+]Cc1cc3ccccc3[nH]1)CCC2 ZINC000095421300 570371789 /nfs/dbraw/zinc/37/17/89/570371789.db2.gz YKGYOBTTXFDPGA-HNNXBMFYSA-N 1 0 297.427 4.100 50 0 CIAARO CC[NH2+]CCO[C@@H](c1ccccc1)c1ccccc1Cl ZINC000095918050 185031138 /nfs/dbraw/zinc/03/11/38/185031138.db2.gz YNEFHOVTTVNWPS-KRWDZBQOSA-N 1 0 289.806 4.056 50 0 CIAARO C[C@@H](c1ccccn1)[NH+]1CCC2(CCCCC2)CC1 ZINC000095964128 185044459 /nfs/dbraw/zinc/04/44/59/185044459.db2.gz HOHWKUYXPVKDAH-HNNXBMFYSA-N 1 0 258.409 4.189 50 0 CIAARO CC[C@@H]([NH2+][C@H]1CCc2ccc(C)cc21)c1c(C)nn(C)c1C ZINC000095968721 185048099 /nfs/dbraw/zinc/04/80/99/185048099.db2.gz DRQBZCDTSLSTJW-MSOLQXFVSA-N 1 0 297.446 4.074 50 0 CIAARO c1c(C2=CC[NH2+]CC2)c2ccccc2n1Cc1ccccc1 ZINC000082728952 178245909 /nfs/dbraw/zinc/24/59/09/178245909.db2.gz YXBXXEOVLBGXMR-UHFFFAOYSA-N 1 0 288.394 4.066 50 0 CIAARO CCCCc1ccc(C[N@@H+]2CCC[C@@](CC)(CO)C2)s1 ZINC000091650628 180216193 /nfs/dbraw/zinc/21/61/93/180216193.db2.gz DTHPWUPIRITZFM-QGZVFWFLSA-N 1 0 295.492 4.075 50 0 CIAARO CCCCc1ccc(C[N@@H+]2CCC[C@](CC)(CO)C2)s1 ZINC000091650631 180216314 /nfs/dbraw/zinc/21/63/14/180216314.db2.gz DTHPWUPIRITZFM-KRWDZBQOSA-N 1 0 295.492 4.075 50 0 CIAARO C[C@@H]1CC2=C(C[C@@]1(C)[C@@]1(C)[NH2+]CCO1)C(C)(C)CCC2 ZINC000105689202 186068273 /nfs/dbraw/zinc/06/82/73/186068273.db2.gz FQJQKNKQNJSHCA-XWIAVFTESA-N 1 0 277.452 4.265 50 0 CIAARO FC(F)c1cccc(C[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000225726593 189763325 /nfs/dbraw/zinc/76/33/25/189763325.db2.gz IKRDMHQIMZBDNV-OAHLLOKOSA-N 1 0 295.373 4.063 50 0 CIAARO Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000230277725 189809154 /nfs/dbraw/zinc/80/91/54/189809154.db2.gz OWZHGGQGPCRZDT-XUJVJEKNSA-N 1 0 278.440 4.027 50 0 CIAARO C[NH+](C)CCCN1c2ccccc2C=Cc2ccccc21 ZINC000000001260 169503022 /nfs/dbraw/zinc/50/30/22/169503022.db2.gz AFBYHZACPPSJKD-UHFFFAOYSA-N 1 0 278.399 4.260 50 0 in-man CIAARO CC[n+]1cc(Cl)nc(-c2ccccc2)c1-c1ccccc1 ZINC000000343393 169612166 /nfs/dbraw/zinc/61/21/66/169612166.db2.gz REOFVDHCRKVVBV-UHFFFAOYSA-N 1 0 295.793 4.376 50 0 CIAARO CC[C@@H](C)[NH2+]CCCCOc1cc(C)ccc1Cl ZINC000002823524 256857600 /nfs/dbraw/zinc/85/76/00/256857600.db2.gz NOFPQSNGQJPQOB-CYBMUJFWSA-N 1 0 269.816 4.196 50 0 CIAARO C[C@@H]([NH2+]C1CCSCC1)c1ccc(-c2cccnc2)cc1 ZINC000096478988 533342889 /nfs/dbraw/zinc/34/28/89/533342889.db2.gz CNPXIXKGIYTYKB-CQSZACIVSA-N 1 0 298.455 4.295 50 0 CIAARO CC[NH+](CC)CCCOc1ccc(C(C)(C)C)cc1 ZINC000002494204 169795028 /nfs/dbraw/zinc/79/50/28/169795028.db2.gz SRBUVZKSMVCEKO-UHFFFAOYSA-N 1 0 263.425 4.095 50 0 CIAARO [NH3+][C@H](Cc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000002506616 169796569 /nfs/dbraw/zinc/79/65/69/169796569.db2.gz HPRWGZYKYRRJNU-HXUWFJFHSA-N 1 0 287.406 4.389 50 0 CIAARO C[NH+](C)CCCOc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000002824101 169834784 /nfs/dbraw/zinc/83/47/84/169834784.db2.gz VSUZUIHQHXKTNZ-UHFFFAOYSA-N 1 0 297.442 4.343 50 0 CIAARO CC[NH+](CC)CCCCOc1c(C)cc(C)cc1C ZINC000002899110 169842845 /nfs/dbraw/zinc/84/28/45/169842845.db2.gz CJWKPTFMPXKSPC-UHFFFAOYSA-N 1 0 263.425 4.113 50 0 CIAARO CCCCC[C@@](O)(CC[NH+]1CCCCC1)c1ccccc1 ZINC000004141793 169937405 /nfs/dbraw/zinc/93/74/05/169937405.db2.gz YVXSRHQVFNFYBI-LJQANCHMSA-N 1 0 289.463 4.331 50 0 CIAARO C[n+]1c(/C=C/c2ccc(Cl)cc2)ccc2ccccc21 ZINC000004377400 169963107 /nfs/dbraw/zinc/96/31/07/169963107.db2.gz SJTQWZKOFBNYJK-XYOKQWHBSA-N 1 0 280.778 4.488 50 0 CIAARO C[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000004657473 169994494 /nfs/dbraw/zinc/99/44/94/169994494.db2.gz PMJFTDJHOQAWCY-UHFFFAOYSA-N 1 0 277.367 4.138 50 0 CIAARO COc1ccc2ccccc2c1C[N@H+](C)Cc1ccccc1 ZINC000004695073 170000119 /nfs/dbraw/zinc/00/01/19/170000119.db2.gz BLGRNXFWLRYKEI-UHFFFAOYSA-N 1 0 291.394 4.480 50 0 CIAARO CC[n+]1c(/C=C/c2ccc(OC)cc2)ccc2ccccc21 ZINC000004792522 170017536 /nfs/dbraw/zinc/01/75/36/170017536.db2.gz JQNFNPPIWROWFS-XYOKQWHBSA-N 1 0 290.386 4.326 50 0 CIAARO FC(F)(F)c1cccc(C[NH+]2CCCCCCC2)c1 ZINC000004832318 170026103 /nfs/dbraw/zinc/02/61/03/170026103.db2.gz VJOMEUGYJLQXQD-UHFFFAOYSA-N 1 0 271.326 4.472 50 0 CIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000004836930 170026860 /nfs/dbraw/zinc/02/68/60/170026860.db2.gz ZFIZZFZTURMSBT-IYBDPMFKSA-N 1 0 283.415 4.197 50 0 CIAARO CC1CC[NH+](CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000004845176 170029650 /nfs/dbraw/zinc/02/96/50/170029650.db2.gz YBNZHOBCZGSLGG-UHFFFAOYSA-N 1 0 288.218 4.104 50 0 CIAARO COc1ccc(C[NH2+]Cc2cccc(Cl)c2Cl)cc1 ZINC000004869940 170034469 /nfs/dbraw/zinc/03/44/69/170034469.db2.gz ZTXBMYFNAANMOB-UHFFFAOYSA-N 1 0 296.197 4.292 50 0 CIAARO Cc1c(Cl)ccc(OCC[N@H+]2CCC[C@@H](C)C2)c1C ZINC000004907398 170039935 /nfs/dbraw/zinc/03/99/35/170039935.db2.gz YZAYHFATCVEVMG-GFCCVEGCSA-N 1 0 281.827 4.068 50 0 CIAARO CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(C)c1C ZINC000004987452 170049342 /nfs/dbraw/zinc/04/93/42/170049342.db2.gz UFEKBAWIEOATMO-UHFFFAOYSA-N 1 0 283.415 4.334 50 0 CIAARO COc1ccccc1C[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000004989468 170049821 /nfs/dbraw/zinc/04/98/21/170049821.db2.gz HSGPXFJRFFEEHT-UHFFFAOYSA-N 1 0 275.436 4.390 50 0 CIAARO CCC(CC)[NH2+]Cc1ccc(OC)c2ccccc12 ZINC000005007874 170054650 /nfs/dbraw/zinc/05/46/50/170054650.db2.gz JZDRPQCIFHUSPI-UHFFFAOYSA-N 1 0 257.377 4.127 50 0 CIAARO CC[n+]1c(/C=C/c2ccc(OC)cc2)sc2ccccc21 ZINC000005015355 170055733 /nfs/dbraw/zinc/05/57/33/170055733.db2.gz JYYXMOHZGBJNHI-JLHYYAGUSA-N 1 0 296.415 4.388 50 0 CIAARO CC(C)(C)[C@@H]([NH3+])C(c1ccccc1)c1ccccc1 ZINC000005019747 170056668 /nfs/dbraw/zinc/05/66/68/170056668.db2.gz ZZRLMXUCFVPFGS-KRWDZBQOSA-N 1 0 253.389 4.192 50 0 CIAARO Cc1ccccc1O[C@H](C)CC[C@@H](C)[NH+]1CCCCC1 ZINC000005024291 170057304 /nfs/dbraw/zinc/05/73/04/170057304.db2.gz JKCBNKAMCPUOFC-IAGOWNOFSA-N 1 0 275.436 4.417 50 0 CIAARO Cc1[nH]c2cc(C)ccc2c1C(=O)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000005532750 170110145 /nfs/dbraw/zinc/11/01/45/170110145.db2.gz NUOGZNCSIVXAOD-KBPBESRZSA-N 1 0 298.430 4.230 50 0 CIAARO C[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000005668900 170126023 /nfs/dbraw/zinc/12/60/23/170126023.db2.gz IYYLZMUMLWEPGS-UHFFFAOYSA-N 1 0 273.379 4.198 50 0 in-vivo CIAARO CC(C)C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000005817292 170142888 /nfs/dbraw/zinc/14/28/88/170142888.db2.gz UWQIMEGUMHKRFM-UHFFFAOYSA-N 1 0 269.388 4.011 50 0 CIAARO COc1ccc2[nH+]c(C)cc(Nc3ccc(O)cc3)c2c1 ZINC000006043954 170171079 /nfs/dbraw/zinc/17/10/79/170171079.db2.gz AZEFJXIVYWAMHA-UHFFFAOYSA-N 1 0 280.327 4.001 50 0 CIAARO COc1ccc(CC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000006667600 170223920 /nfs/dbraw/zinc/22/39/20/170223920.db2.gz VDYGGVFOPQAMIV-INIZCTEOSA-N 1 0 295.426 4.075 50 0 CIAARO c1ccc(-c2ccc(C[NH2+]Cc3ccccn3)cc2)cc1 ZINC000006702222 170229679 /nfs/dbraw/zinc/22/96/79/170229679.db2.gz VWZVACDFLYKCRC-UHFFFAOYSA-N 1 0 274.367 4.038 50 0 CIAARO Clc1ccc(OCc2ccccc2)c(C[NH2+]C2CC2)c1 ZINC000006728820 170234268 /nfs/dbraw/zinc/23/42/68/170234268.db2.gz RGLAQIKYGYZSDS-UHFFFAOYSA-N 1 0 287.790 4.171 50 0 CIAARO COc1ccc2ccccc2c1C[NH2+]Cc1cccs1 ZINC000006743703 170238325 /nfs/dbraw/zinc/23/83/25/170238325.db2.gz VCMRFUWBFIQQKT-UHFFFAOYSA-N 1 0 283.396 4.200 50 0 CIAARO C[C@@H](c1ccccc1Sc1cccc(O)c1)[NH+](C)C ZINC000006851160 170249044 /nfs/dbraw/zinc/24/90/44/170249044.db2.gz ZPDYJDPGMUVFQU-LBPRGKRZSA-N 1 0 273.401 4.166 50 0 CIAARO CCC[NH2+]Cc1ccc2c(c1)c1ccccc1n2CC ZINC000006869112 170251464 /nfs/dbraw/zinc/25/14/64/170251464.db2.gz JTOOIHXDYIDFEI-UHFFFAOYSA-N 1 0 266.388 4.314 50 0 CIAARO COc1ccc2[nH+]c(C)cc(NCc3ccc(F)cc3)c2c1 ZINC000006949184 170258590 /nfs/dbraw/zinc/25/85/90/170258590.db2.gz NWJCMSSQJWHTAI-UHFFFAOYSA-N 1 0 296.345 4.303 50 0 CIAARO C[C@@H]([NH2+]C1CCCCCC1)C(=O)c1c[nH]c2ccccc21 ZINC000007043325 170263735 /nfs/dbraw/zinc/26/37/35/170263735.db2.gz WPHLOCJIEYNWFY-CYBMUJFWSA-N 1 0 284.403 4.052 50 0 CIAARO CCOc1ccc2ccccc2c1C[NH2+][C@H](C)CC ZINC000008325864 170331567 /nfs/dbraw/zinc/33/15/67/170331567.db2.gz JAWVSTMHJKUHKK-CYBMUJFWSA-N 1 0 257.377 4.127 50 0 CIAARO C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCCCCC1 ZINC000008489784 170337840 /nfs/dbraw/zinc/33/78/40/170337840.db2.gz PNKTTXPHPPGYAA-OAHLLOKOSA-N 1 0 296.414 4.043 50 0 CIAARO CC[C@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2c(C)cccc2c1=O ZINC000008691841 170345958 /nfs/dbraw/zinc/34/59/58/170345958.db2.gz RPUCXWLLRRYLNF-HNNXBMFYSA-N 1 0 298.430 4.322 50 0 CIAARO Cc1cc(C)c2c(c1)[nH]c(C)c(C[N@H+]1CCC[C@@H](C)C1)c2=O ZINC000008717419 170349330 /nfs/dbraw/zinc/34/93/30/170349330.db2.gz JUWTVIWGBFWRRQ-GFCCVEGCSA-N 1 0 298.430 4.098 50 0 CIAARO CCCC[N@H+](CC)Cc1c(C)[nH]c2ccc(F)cc2c1=O ZINC000008717110 170349361 /nfs/dbraw/zinc/34/93/61/170349361.db2.gz SBPOVSQHJZRDDB-UHFFFAOYSA-N 1 0 290.382 4.010 50 0 CIAARO FC(F)(F)c1cccc(-c2ccc(C[NH2+]C3CC3)o2)c1 ZINC000016579248 170702922 /nfs/dbraw/zinc/70/29/22/170702922.db2.gz KHNCYCUXKQPILI-UHFFFAOYSA-N 1 0 281.277 4.217 50 0 CIAARO c1csc(CC[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000019219252 170755122 /nfs/dbraw/zinc/75/51/22/170755122.db2.gz DFZFGBDMGVWQNU-UHFFFAOYSA-N 1 0 285.456 4.245 50 0 CIAARO c1ccc2c(c1)c1ccccc1n2C[NH+]1CCCCC1 ZINC000019229435 170756060 /nfs/dbraw/zinc/75/60/60/170756060.db2.gz JEWQNMWVRJUYKL-UHFFFAOYSA-N 1 0 264.372 4.238 50 0 CIAARO COc1cccc(CC[NH2+]Cc2cccc3ccccc32)c1 ZINC000019720336 170842643 /nfs/dbraw/zinc/84/26/43/170842643.db2.gz HUXLRAOWFIOFAC-UHFFFAOYSA-N 1 0 291.394 4.181 50 0 CIAARO Cc1ccc(O[C@@H](C)C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000019737852 170850927 /nfs/dbraw/zinc/85/09/27/170850927.db2.gz JOKLUPQCOGAYQO-HOTGVXAUSA-N 1 0 269.388 4.113 50 0 CIAARO Fc1ccc(CC[NH2+]Cc2ccccc2C(F)(F)F)cc1 ZINC000020015219 170969944 /nfs/dbraw/zinc/96/99/44/170969944.db2.gz JCRHIYNJKPVLLV-UHFFFAOYSA-N 1 0 297.295 4.177 50 0 CIAARO Cc1cccc(-c2c[nH]nc2C2CC[NH+](CC(C)C)CC2)c1 ZINC000020536612 171241036 /nfs/dbraw/zinc/24/10/36/171241036.db2.gz FJKVNDKRAGSHMZ-UHFFFAOYSA-N 1 0 297.446 4.221 50 0 CIAARO Cc1ccccc1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000020545163 171243399 /nfs/dbraw/zinc/24/33/99/171243399.db2.gz UBMUMVMPHZALGO-GOSISDBHSA-N 1 0 251.373 4.162 50 0 CIAARO CC[C@H](C)c1ccccc1OCC[C@H]1CCCC[NH2+]1 ZINC000020593607 171262829 /nfs/dbraw/zinc/26/28/29/171262829.db2.gz OTSZIGMPFSZFLQ-LSDHHAIUSA-N 1 0 261.409 4.111 50 0 CIAARO CC[C@@H](C)c1ccccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000020593604 171263069 /nfs/dbraw/zinc/26/30/69/171263069.db2.gz OTSZIGMPFSZFLQ-CABCVRRESA-N 1 0 261.409 4.111 50 0 CIAARO CC[C@H](C)[NH2+]Cc1ccccc1OCc1ccc(C)cc1 ZINC000020873622 171277506 /nfs/dbraw/zinc/27/75/06/171277506.db2.gz WRPOTZIBXYBOJB-INIZCTEOSA-N 1 0 283.415 4.462 50 0 CIAARO CCCOc1ccc(C[NH2+]CCCOC(C)C)cc1Cl ZINC000020925733 171280408 /nfs/dbraw/zinc/28/04/08/171280408.db2.gz MUNKXDUFLGRSJX-UHFFFAOYSA-N 1 0 299.842 4.034 50 0 CIAARO CCCOc1ccc(Cl)cc1C[NH2+]CCC(C)C ZINC000020929075 171281006 /nfs/dbraw/zinc/28/10/06/171281006.db2.gz ROJFZSZGZCSHPZ-UHFFFAOYSA-N 1 0 269.816 4.265 50 0 CIAARO Cc1cccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000021797892 171324988 /nfs/dbraw/zinc/32/49/88/171324988.db2.gz JCGIZHKNRKBIFF-UHFFFAOYSA-N 1 0 255.405 4.053 50 0 CIAARO Cc1cccc(COc2cccc(C[NH2+]C(C)C)c2)c1 ZINC000032117732 171709897 /nfs/dbraw/zinc/70/98/97/171709897.db2.gz BVRHJMYKLLLNOK-UHFFFAOYSA-N 1 0 269.388 4.072 50 0 CIAARO C[NH2+][C@@H](C)c1cc(F)ccc1Oc1cccc(F)c1 ZINC000034666135 171854419 /nfs/dbraw/zinc/85/44/19/171854419.db2.gz YWVRNJCUXGMQBL-JTQLQIEISA-N 1 0 263.287 4.038 50 0 CIAARO Cc1ccc(Cn2cc(SCC[NH3+])c3ccccc32)cc1 ZINC000035587939 172287316 /nfs/dbraw/zinc/28/73/16/172287316.db2.gz KPFLTGJKDHDMAM-UHFFFAOYSA-N 1 0 296.439 4.049 50 0 CIAARO C[C@H]1CCCC[N@@H+]1Cc1cncc(-c2cccc(F)c2)c1 ZINC000037279024 173087937 /nfs/dbraw/zinc/08/79/37/173087937.db2.gz GSUJKIAPZXIBJQ-AWEZNQCLSA-N 1 0 284.378 4.262 50 0 CIAARO Cc1cc(-c2cncc(C[NH+]3CCCCC3)c2)ccc1F ZINC000037279061 173088201 /nfs/dbraw/zinc/08/82/01/173088201.db2.gz MYJYEQKXVYNOJR-UHFFFAOYSA-N 1 0 284.378 4.182 50 0 CIAARO CCCC[NH2+]Cc1cc(Cl)c(OC(C)C)c(OC)c1 ZINC000040721124 174385370 /nfs/dbraw/zinc/38/53/70/174385370.db2.gz WHXSIANJLHUXBM-UHFFFAOYSA-N 1 0 285.815 4.026 50 0 CIAARO C[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000040721280 174385399 /nfs/dbraw/zinc/38/53/99/174385399.db2.gz ACDJXQRCEQYIAH-UHFFFAOYSA-N 1 0 284.790 4.062 50 0 CIAARO CCOc1cc(C[NH2+][C@@H](C)CC)cc(Cl)c1OC(C)C ZINC000040729230 174388169 /nfs/dbraw/zinc/38/81/69/174388169.db2.gz POAWUWCSCVATSY-LBPRGKRZSA-N 1 0 299.842 4.414 50 0 CIAARO c1ccc(Cc2ccc(OCC[C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC000042773279 174872633 /nfs/dbraw/zinc/87/26/33/174872633.db2.gz WDQVIUHVZWNXLN-IBGZPJMESA-N 1 0 295.426 4.046 50 0 CIAARO Clc1cc(-c2ccccc2)ccc1O[C@H]1CCC[NH2+]C1 ZINC000042774981 174873832 /nfs/dbraw/zinc/87/38/32/174873832.db2.gz JTINBSZSPDXTEV-HNNXBMFYSA-N 1 0 287.790 4.138 50 0 CIAARO Cn1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000057353175 175593839 /nfs/dbraw/zinc/59/38/39/175593839.db2.gz IVLXWFXEOKNXAL-UHFFFAOYSA-N 1 0 294.442 4.237 50 0 CIAARO CC[NH2+]Cc1cn(Cc2cccc(C)c2)c2ccccc12 ZINC000057353152 175594006 /nfs/dbraw/zinc/59/40/06/175594006.db2.gz YQOOPPPWRZFGCP-UHFFFAOYSA-N 1 0 278.399 4.108 50 0 CIAARO Clc1cc(Cl)cc(-c2cccc3c2CC[NH2+]C3)c1 ZINC000071708139 176248736 /nfs/dbraw/zinc/24/87/36/176248736.db2.gz NJEXXAUPALMXHO-UHFFFAOYSA-N 1 0 278.182 4.306 50 0 CIAARO Fc1ccc(OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000072153711 176327879 /nfs/dbraw/zinc/32/78/79/176327879.db2.gz OXJQURNDOTZSIM-SWLSCSKDSA-N 1 0 297.801 4.122 50 0 CIAARO CC(C)C[C@H]1C[NH2+]CCc2c3cc(Cl)ccc3[nH]c21 ZINC000077024475 177154074 /nfs/dbraw/zinc/15/40/74/177154074.db2.gz JGMUVIOQXBQIPQ-NSHDSACASA-N 1 0 276.811 4.097 50 0 CIAARO CC(C)Sc1ccc([C@H](C)[NH2+]Cc2cccnc2)cc1 ZINC000078411688 177339221 /nfs/dbraw/zinc/33/92/21/177339221.db2.gz ZXBKPHVPLIVFDN-AWEZNQCLSA-N 1 0 286.444 4.433 50 0 CIAARO Cc1cccc(C[NH2+]CC(C)(C)N[C@H](C)c2ccccc2)c1 ZINC000078725196 177376694 /nfs/dbraw/zinc/37/66/94/177376694.db2.gz HQKDRAXXNDMNRW-QGZVFWFLSA-N 1 0 296.458 4.214 50 0 CIAARO COC(C)(C)C[C@@H](C)[NH2+]C1(c2ccccc2Cl)CC1 ZINC000534661282 328349364 /nfs/dbraw/zinc/34/93/64/328349364.db2.gz SHESAAHFDFTQEG-GFCCVEGCSA-N 1 0 281.827 4.122 50 0 CIAARO CC[NH+](CC)CCCCOc1ccc(C)cc1Cl ZINC000004996993 520592252 /nfs/dbraw/zinc/59/22/52/520592252.db2.gz TUDPRSPUZMFMKP-UHFFFAOYSA-N 1 0 269.816 4.149 50 0 CIAARO C[C@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)c1cccs1 ZINC000104292608 533907531 /nfs/dbraw/zinc/90/75/31/533907531.db2.gz WGKRCOQMOVDGJU-YSVLISHTSA-N 1 0 287.428 4.177 50 0 CIAARO C[C@@H]([NH2+]C1(c2ccccc2)CCC1)c1ccsc1 ZINC000170067286 567005417 /nfs/dbraw/zinc/00/54/17/567005417.db2.gz DNEPKIAVIVPJML-CYBMUJFWSA-N 1 0 257.402 4.478 50 0 CIAARO C[NH2+]CC/C=C1\c2ccccc2CSc2ccccc21 ZINC000002040293 560186118 /nfs/dbraw/zinc/18/61/18/560186118.db2.gz FTELXJYVTOFJAI-MHWRWJLKSA-N 1 0 281.424 4.334 50 0 in-vitro CIAARO COc1ccccc1C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000034995477 566842827 /nfs/dbraw/zinc/84/28/27/566842827.db2.gz CGSFXJQDMVYZQK-BFYDXBDKSA-N 1 0 273.420 4.144 50 0 CIAARO CC[C@@H]([NH2+]Cc1c(C)noc1C)c1ccc(Cl)cc1 ZINC000035055420 566857801 /nfs/dbraw/zinc/85/78/01/566857801.db2.gz YXYJHIKBVTUYRX-OAHLLOKOSA-N 1 0 278.783 4.186 50 0 CIAARO C[C@H]([NH2+]Cc1ccc(Cl)nc1)[C@@H](C)c1ccccc1 ZINC000083473728 566863121 /nfs/dbraw/zinc/86/31/21/566863121.db2.gz XWOVXHCQBHLQIT-OLZOCXBDSA-N 1 0 274.795 4.017 50 0 CIAARO CCCCn1c2ccccc2nc1C[NH+]1CCCCCC1 ZINC000015831904 566909715 /nfs/dbraw/zinc/90/97/15/566909715.db2.gz ZFIYAKHHRXZRNL-UHFFFAOYSA-N 1 0 285.435 4.212 50 0 CIAARO C[C@H]1[C@H](O)[C@@H](C)[C@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000239212609 566965446 /nfs/dbraw/zinc/96/54/46/566965446.db2.gz TUHNPNHADQMPAJ-COICVEQCSA-N 1 0 295.426 4.048 50 0 CIAARO CCC[NH+]=C1CCN(Cc2ccccc2)c2ccccc2N1 ZINC000001863734 566971811 /nfs/dbraw/zinc/97/18/11/566971811.db2.gz VCZIPRMAGDQYEM-UHFFFAOYSA-N 1 0 293.414 4.127 50 0 CIAARO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1ccsc1 ZINC000089558968 566984378 /nfs/dbraw/zinc/98/43/78/566984378.db2.gz RQFXHJKGIIEDCL-SNVBAGLBSA-N 1 0 280.462 4.487 50 0 CIAARO Cc1scnc1C[N@@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000426405113 566989098 /nfs/dbraw/zinc/98/90/98/566989098.db2.gz IEWMADVDMFRXDK-OAHLLOKOSA-N 1 0 286.444 4.077 50 0 CIAARO C[N@H+](Cc1ccn(-c2ccccc2)n1)C1CCCCCC1 ZINC000170598774 567011263 /nfs/dbraw/zinc/01/12/63/567011263.db2.gz IEGNLHQEISQONB-UHFFFAOYSA-N 1 0 283.419 4.027 50 0 CIAARO C[C@@H]([NH2+]Cc1ccc2ccccc2c1)c1cccc(O)c1 ZINC000037150872 567011823 /nfs/dbraw/zinc/01/18/23/567011823.db2.gz MGMONUFDNOOUIS-CQSZACIVSA-N 1 0 277.367 4.396 50 0 CIAARO CC(C)C[NH+]1CCC(N[C@H](C)c2ccccc2Cl)CC1 ZINC000089840167 567026966 /nfs/dbraw/zinc/02/69/66/567026966.db2.gz DAGVPGQCKLGEOQ-CQSZACIVSA-N 1 0 294.870 4.111 50 0 CIAARO C[C@H]([NH2+][C@H]1CC2(CCC2)Oc2ccccc21)c1ccccn1 ZINC000095419202 567039305 /nfs/dbraw/zinc/03/93/05/567039305.db2.gz HAGLOEOMHFVDDQ-YOEHRIQHSA-N 1 0 294.398 4.179 50 0 CIAARO c1ccc2c(c1)Sc1ccccc1N2CC[NH+]1CCCC1 ZINC000000002004 567051549 /nfs/dbraw/zinc/05/15/49/567051549.db2.gz KJKJUXGEMYCCJN-UHFFFAOYSA-N 1 0 296.439 4.385 50 0 in-man CIAARO C1=C2[C@H](CCC1)[C@@H](C[NH+]1CCCCC1)O[C@H]1CCCC[C@@H]21 ZINC000002144806 567057965 /nfs/dbraw/zinc/05/79/65/567057965.db2.gz ZLGSKKXUVINAIN-CADBVGFASA-N 1 0 289.463 4.156 50 0 CIAARO C[N@@H+]1CCC[C@@H]1CN1c2ccccc2Sc2ccccc21 ZINC000004558919 567058372 /nfs/dbraw/zinc/05/83/72/567058372.db2.gz RMSSYNIPZYVOBT-CQSZACIVSA-N 1 0 296.439 4.384 50 0 CIAARO C[C@@H]1CCCC[N@@H+]1Cc1cncc(-c2ccccc2F)c1 ZINC000037553740 567067832 /nfs/dbraw/zinc/06/78/32/567067832.db2.gz VSWRHIOEFPTCGV-CQSZACIVSA-N 1 0 284.378 4.262 50 0 CIAARO CC1(C)C[NH+](Cc2ccccc2Cl)CC1(C)C ZINC000096026603 567138311 /nfs/dbraw/zinc/13/83/11/567138311.db2.gz USOXGTAKTBHWIF-UHFFFAOYSA-N 1 0 251.801 4.208 50 0 CIAARO C[C@@H]1C[NH+]=C(N(Cc2ccccc2)Cc2ccccc2)S1 ZINC000020423724 567087912 /nfs/dbraw/zinc/08/79/12/567087912.db2.gz ZJALDOFQADUYFW-OAHLLOKOSA-N 1 0 296.439 4.180 50 0 CIAARO C[C@H](c1cccnc1)[N@H+](C)CCSc1ccccc1F ZINC000095446717 567134310 /nfs/dbraw/zinc/13/43/10/567134310.db2.gz MSJOMTRPHBISHU-CYBMUJFWSA-N 1 0 290.407 4.006 50 0 CIAARO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCCC1CCCC1 ZINC000095446835 567134356 /nfs/dbraw/zinc/13/43/56/567134356.db2.gz HWVSSCKRZVMWOQ-INIZCTEOSA-N 1 0 275.440 4.134 50 0 CIAARO CC(C)n1ccnc1C[NH2+]C(C1CCCC1)C1CCCC1 ZINC000095462617 567134642 /nfs/dbraw/zinc/13/46/42/567134642.db2.gz TXOZLDDPRAXAFA-UHFFFAOYSA-N 1 0 289.467 4.303 50 0 CIAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCn1ccc2ccccc21 ZINC000096027399 567138214 /nfs/dbraw/zinc/13/82/14/567138214.db2.gz YNJLFPPZYPOYSU-HZPDHXFCSA-N 1 0 270.420 4.294 50 0 CIAARO CCn1c2ccccc2c2c1[C@@H](CC[NH+](C)C)CCC2 ZINC000096027863 567138294 /nfs/dbraw/zinc/13/82/94/567138294.db2.gz OSGHCMVFTSVFLH-CQSZACIVSA-N 1 0 270.420 4.033 50 0 CIAARO [NH3+]C[C@@H](CCCc1ccccc1)Oc1ccc(Cl)cc1 ZINC000096027247 567138394 /nfs/dbraw/zinc/13/83/94/567138394.db2.gz SLASIOUGXVGWHB-QGZVFWFLSA-N 1 0 289.806 4.069 50 0 CIAARO C[NH+](C)C[C@@H](CCCc1ccccc1)c1ccccc1 ZINC000096027182 567138433 /nfs/dbraw/zinc/13/84/33/567138433.db2.gz KTCDBOJVPNGQGA-LJQANCHMSA-N 1 0 267.416 4.355 50 0 CIAARO [NH3+]C[C@H](CCCc1ccccc1)Oc1ccc(Cl)cc1 ZINC000096027246 567138506 /nfs/dbraw/zinc/13/85/06/567138506.db2.gz SLASIOUGXVGWHB-KRWDZBQOSA-N 1 0 289.806 4.069 50 0 CIAARO CC(C)=CCC/C(C)=C/CC(C)(C)[C@H]1[NH2+]CCO1 ZINC000002472222 567145502 /nfs/dbraw/zinc/14/55/02/567145502.db2.gz IUSIHBDWTHQPIA-HNRFISLBSA-N 1 0 251.414 4.041 50 0 CIAARO Cc1ccc([C@@H]2[NH2+]Cc3ccccc3-n3cccc32)c(C)c1 ZINC000004036507 567185262 /nfs/dbraw/zinc/18/52/62/567185262.db2.gz YATVRAHEOCHRGD-FQEVSTJZSA-N 1 0 288.394 4.287 50 0 CIAARO C[NH2+]CC12C[C@@H]3C[C@H](C1)CC(c1ccc(C)cc1)(C3)C2 ZINC000004168871 567189602 /nfs/dbraw/zinc/18/96/02/567189602.db2.gz XZFSZFKQJQUVFX-CCZBSFLLSA-N 1 0 269.432 4.052 50 0 CIAARO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)CCCC(C)(C)O ZINC000032523745 567195264 /nfs/dbraw/zinc/19/52/64/567195264.db2.gz BATWJAHHGFELLB-CABCVRRESA-N 1 0 255.446 4.041 50 0 CIAARO C[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1Cl ZINC000019890801 567211168 /nfs/dbraw/zinc/21/11/68/567211168.db2.gz LRXXRIXDSAEIOR-ZDUSSCGKSA-N 1 0 259.780 4.061 50 0 world CIAARO C[C@H](CN1c2ccccc2Sc2ccccc21)[NH+](C)C ZINC000000056647 567817221 /nfs/dbraw/zinc/81/72/21/567817221.db2.gz PWWVAXIEGOYWEE-CYBMUJFWSA-N 1 0 284.428 4.239 50 0 fda CIAARO CCOc1cccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000000275230 567823447 /nfs/dbraw/zinc/82/34/47/567823447.db2.gz ZBPOHJUGMDJWPL-LJQANCHMSA-N 1 0 296.414 4.208 50 0 CIAARO C[NH+]1CCC(Oc2ccc(Sc3ccccc3)cc2)CC1 ZINC000000347691 567826468 /nfs/dbraw/zinc/82/64/68/567826468.db2.gz WLBMFXSDDLBRAZ-UHFFFAOYSA-N 1 0 299.439 4.311 50 0 CIAARO C[C@@H](CN1c2ccccc2CCc2ccccc21)C[NH+](C)C ZINC000000968275 567835293 /nfs/dbraw/zinc/83/52/93/567835293.db2.gz ZSCDBOWYZJWBIY-MRXNPFEDSA-N 1 0 294.442 4.121 50 0 fda CIAARO C[N@H+](CCc1ccccn1)C1CCC(c2ccccc2)CC1 ZINC000001457796 567837468 /nfs/dbraw/zinc/83/74/68/567837468.db2.gz QJCLNIRQMOVQNW-UHFFFAOYSA-N 1 0 294.442 4.282 50 0 CIAARO CCC[NH+](CCC)Cc1cc2ccccc2c2c1COC2 ZINC000001826297 567843467 /nfs/dbraw/zinc/84/34/67/567843467.db2.gz ZKZPJIWKNJVDMY-UHFFFAOYSA-N 1 0 283.415 4.492 50 0 CIAARO Clc1ccc(SCCC[NH2+]C2CCCC2)cc1 ZINC000002191183 567845265 /nfs/dbraw/zinc/84/52/65/567845265.db2.gz XFFSQNDRRIKZOY-UHFFFAOYSA-N 1 0 269.841 4.354 50 0 CIAARO Cc1ccc(OCCCCCC[NH+]2CCCCC2)cc1 ZINC000002493443 567845844 /nfs/dbraw/zinc/84/58/44/567845844.db2.gz WJOYFTRPBMVSRS-UHFFFAOYSA-N 1 0 275.436 4.420 50 0 CIAARO CCn1c2ccccc2c2cc(C[NH+]3CCCC3)ccc21 ZINC000002494859 567845904 /nfs/dbraw/zinc/84/59/04/567845904.db2.gz ARBHCRFVGGMKSD-UHFFFAOYSA-N 1 0 278.399 4.410 50 0 CIAARO O=C(c1cccc(Cl)c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000002515062 567846140 /nfs/dbraw/zinc/84/61/40/567846140.db2.gz HUSOBIMWNGEAKI-UHFFFAOYSA-N 1 0 299.801 4.167 50 0 CIAARO Cc1ccccc1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000002514991 567846208 /nfs/dbraw/zinc/84/62/08/567846208.db2.gz KFGAYXMRSHKKLJ-UHFFFAOYSA-N 1 0 293.410 4.212 50 0 CIAARO O=C(c1cccc(C[NH+]2CCCCC2)c1)c1ccccc1F ZINC000002515021 567846412 /nfs/dbraw/zinc/84/64/12/567846412.db2.gz KNUXWEHZLMMZHE-UHFFFAOYSA-N 1 0 297.373 4.043 50 0 CIAARO O=C(c1ccccc1C[NH+]1CCCCC1)C1CCCCC1 ZINC000002515537 567846649 /nfs/dbraw/zinc/84/66/49/567846649.db2.gz YGDBWQTXMDPSOM-UHFFFAOYSA-N 1 0 285.431 4.436 50 0 CIAARO Cc1ccccc1C(=O)c1ccccc1C[NH+]1CCCCC1 ZINC000002515488 567846780 /nfs/dbraw/zinc/84/67/80/567846780.db2.gz JIIAAIKHGBBOID-UHFFFAOYSA-N 1 0 293.410 4.212 50 0 CIAARO Cc1cccc(-c2[nH]c3ccccc3c2CCCC[NH3+])c1 ZINC000002534033 567847730 /nfs/dbraw/zinc/84/77/30/567847730.db2.gz VDNDVAWLVVPPLI-UHFFFAOYSA-N 1 0 278.399 4.425 50 0 CIAARO Cc1ccc(-c2c[n+]3ccccc3n2-c2ccccc2)cc1 ZINC000002546687 567848013 /nfs/dbraw/zinc/84/80/13/567848013.db2.gz AKQXDAHGXLONFQ-UHFFFAOYSA-N 1 0 285.370 4.191 50 0 CIAARO [NH3+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000002576569 567848362 /nfs/dbraw/zinc/84/83/62/567848362.db2.gz GEVZIDWDKPIZKH-UHFFFAOYSA-N 1 0 252.144 4.119 50 0 CIAARO Cc1cc(OCCC[NH+]2CCCCCC2)ccc1Cl ZINC000002838874 567849451 /nfs/dbraw/zinc/84/94/51/567849451.db2.gz RFLUFPMDLLWODT-UHFFFAOYSA-N 1 0 281.827 4.293 50 0 CIAARO CCCC[NH2+]CCCCCOc1ccc(C)c(C)c1 ZINC000002900201 567850187 /nfs/dbraw/zinc/85/01/87/567850187.db2.gz IUEVPWCSURFPHA-UHFFFAOYSA-N 1 0 263.425 4.242 50 0 CIAARO CCCC[NH2+]CCCCOc1cccc2ccccc21 ZINC000002901372 567850690 /nfs/dbraw/zinc/85/06/90/567850690.db2.gz PVURRGIULHRCDY-UHFFFAOYSA-N 1 0 271.404 4.389 50 0 CIAARO CCCC[NH2+]CCCOc1c(C)cc(Cl)cc1Cl ZINC000002931634 567850712 /nfs/dbraw/zinc/85/07/12/567850712.db2.gz LWGSPBXJNRATRO-UHFFFAOYSA-N 1 0 290.234 4.460 50 0 CIAARO Cc1ccc(OCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000003003940 567851281 /nfs/dbraw/zinc/85/12/81/567851281.db2.gz UIOZNEORVGOKOX-CALCHBBNSA-N 1 0 289.463 4.440 50 0 CIAARO C[C@H](Cc1ccccc1)[NH2+][C@@H](C)CCc1ccccc1 ZINC000062169712 567851870 /nfs/dbraw/zinc/85/18/70/567851870.db2.gz GDDSUMJFPAHCRT-DLBZAZTESA-N 1 0 267.416 4.229 50 0 CIAARO CC(C)[NH2+]Cc1ccccc1-c1cccc2ncccc21 ZINC000067727341 567853182 /nfs/dbraw/zinc/85/31/82/567853182.db2.gz OPDWGHORTPSKGL-UHFFFAOYSA-N 1 0 276.383 4.400 50 0 CIAARO C[C@H](CN1c2ccccc2CCc2ccccc21)C[NH+](C)C ZINC000003831586 567853382 /nfs/dbraw/zinc/85/33/82/567853382.db2.gz ZSCDBOWYZJWBIY-INIZCTEOSA-N 1 0 294.442 4.121 50 0 fda CIAARO C[C@@H]1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000003683548 567853485 /nfs/dbraw/zinc/85/34/85/567853485.db2.gz UQWXNPHMYCOVJL-ZBFHGGJFSA-N 1 0 292.854 4.041 50 0 CIAARO C[C@H](CCCC(C)(C)O)[NH2+]C1CCCCCCC1 ZINC000003683523 567853527 /nfs/dbraw/zinc/85/35/27/567853527.db2.gz PQGXKQJOZYJNGB-CQSZACIVSA-N 1 0 255.446 4.019 50 0 CIAARO c1ccc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)cc1 ZINC000004122125 567855320 /nfs/dbraw/zinc/85/53/20/567855320.db2.gz QMADAVRWWKURQT-SFHVURJKSA-N 1 0 251.373 4.066 50 0 CIAARO CCOc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004240016 567856169 /nfs/dbraw/zinc/85/61/69/567856169.db2.gz CQIUQZFQNIBNLS-UHFFFAOYSA-N 1 0 285.431 4.144 50 0 CIAARO CC(C)[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000010435788 567861487 /nfs/dbraw/zinc/86/14/87/567861487.db2.gz ZTVGPXRLDRSTEX-UHFFFAOYSA-N 1 0 289.806 4.417 50 0 CIAARO CCC[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000010474783 567861623 /nfs/dbraw/zinc/86/16/23/567861623.db2.gz MMNLFQSNKOLYIS-UHFFFAOYSA-N 1 0 289.806 4.419 50 0 CIAARO CCOc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1Cl ZINC000010475213 567861835 /nfs/dbraw/zinc/86/18/35/567861835.db2.gz QNQRSBKDSDLBSC-UHFFFAOYSA-N 1 0 293.769 4.168 50 0 CIAARO COc1cccc(C[NH2+]C(C)C)c1OCc1ccc(C)cc1 ZINC000010436323 567861895 /nfs/dbraw/zinc/86/18/95/567861895.db2.gz KKNCXTMNQLWSDP-UHFFFAOYSA-N 1 0 299.414 4.081 50 0 CIAARO C[N@@H+]1CCc2c3ccccc3[nH]c2[C@@H]1C1CCCCC1 ZINC000012717611 567864128 /nfs/dbraw/zinc/86/41/28/567864128.db2.gz KZJDYTNSQHXOKK-SFHVURJKSA-N 1 0 268.404 4.277 50 0 CIAARO CCC[C@@H](C(=O)c1ccc2ccccc2c1)[NH+]1CCCC1 ZINC000013682126 567867059 /nfs/dbraw/zinc/86/70/59/567867059.db2.gz DTNUPBSOODGRKW-SFHVURJKSA-N 1 0 281.399 4.287 50 0 in-vivo CIAARO CCCCOCCC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000013719986 567867443 /nfs/dbraw/zinc/86/74/43/567867443.db2.gz GHBRBBAEPMLAEA-UHFFFAOYSA-N 1 0 287.403 4.243 50 0 CIAARO CC(C)c1cc([C@@H]2CCCN2Cc2cccs2)no1 ZINC000015866923 567871611 /nfs/dbraw/zinc/87/16/11/567871611.db2.gz DPKMAVQXTXPJEZ-AWEZNQCLSA-N 1 0 276.405 4.197 50 0 CIAARO Clc1cccc(C[NH2+]Cc2ccccc2)c1Cl ZINC000016480146 567872935 /nfs/dbraw/zinc/87/29/35/567872935.db2.gz BUXSUYSRUOLNSP-UHFFFAOYSA-N 1 0 266.171 4.283 50 0 CIAARO Fc1ccccc1CC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000016449537 567872950 /nfs/dbraw/zinc/87/29/50/567872950.db2.gz SYSHFOFLLPZZOD-UHFFFAOYSA-N 1 0 298.188 4.465 50 0 CIAARO COc1ccc2ccccc2c1C[NH2+]CCc1ccccc1 ZINC000019536809 567877974 /nfs/dbraw/zinc/87/79/74/567877974.db2.gz OUEXFKRRQVOJTQ-UHFFFAOYSA-N 1 0 291.394 4.181 50 0 CIAARO Cc1ccc(OCC[NH2+][C@H](C)c2ccccc2)cc1C ZINC000019737856 567878851 /nfs/dbraw/zinc/87/88/51/567878851.db2.gz GACMUGGVXOTCHG-MRXNPFEDSA-N 1 0 269.388 4.033 50 0 CIAARO [NH3+][C@H](c1ccc(Cl)cc1)c1ccccc1Cl ZINC000019804073 567879156 /nfs/dbraw/zinc/87/91/56/567879156.db2.gz MDODXHIPLZWVCK-CYBMUJFWSA-N 1 0 252.144 4.042 50 0 CIAARO C[C@H]([NH2+]C1CCCC1)c1ccc(Br)cc1 ZINC000019883390 567879507 /nfs/dbraw/zinc/87/95/07/567879507.db2.gz JBTNLUILGWKLSH-JTQLQIEISA-N 1 0 268.198 4.042 50 0 CIAARO C[C@@H]([NH2+]C1CCCC1)c1ccc(Br)cc1 ZINC000019883388 567879528 /nfs/dbraw/zinc/87/95/28/567879528.db2.gz JBTNLUILGWKLSH-SNVBAGLBSA-N 1 0 268.198 4.042 50 0 CIAARO CC[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)cc1 ZINC000037702163 567880392 /nfs/dbraw/zinc/88/03/92/567880392.db2.gz PLAIPPLNOPJUKC-UHFFFAOYSA-N 1 0 293.769 4.168 50 0 CIAARO CC(C)Oc1ccc(C[NH2+]Cc2ccccc2Cl)cc1 ZINC000032146067 567886088 /nfs/dbraw/zinc/88/60/88/567886088.db2.gz YWPMEZSKEBGGBL-UHFFFAOYSA-N 1 0 289.806 4.417 50 0 CIAARO c1csc([C@H]2CCCCC[N@H+]2Cc2ccccn2)c1 ZINC000033087289 567886660 /nfs/dbraw/zinc/88/66/60/567886660.db2.gz WHHQLFPFHUKLPY-OAHLLOKOSA-N 1 0 272.417 4.260 50 0 CIAARO COc1ccccc1CNc1c(C)c[nH+]c2ccccc21 ZINC000072307758 567886746 /nfs/dbraw/zinc/88/67/46/567886746.db2.gz XLZDONVWNCMBMW-UHFFFAOYSA-N 1 0 278.355 4.164 50 0 CIAARO Fc1ccccc1[C@H]1CC[N@@H+]1CCCOc1ccccc1 ZINC000072308981 567886836 /nfs/dbraw/zinc/88/68/36/567886836.db2.gz MBBFLDQFRFECHN-GOSISDBHSA-N 1 0 285.362 4.042 50 0 CIAARO CC(C)[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000035045299 567888976 /nfs/dbraw/zinc/88/89/76/567888976.db2.gz IJLALMYHOYKSHW-SSDOTTSWSA-N 1 0 250.144 4.192 50 0 CIAARO CC[C@H](C)[NH2+]Cc1ccc(OC(C)C)c(Cl)c1 ZINC000040731094 567890917 /nfs/dbraw/zinc/89/09/17/567890917.db2.gz AAZIRGSPSNPFQE-NSHDSACASA-N 1 0 255.789 4.015 50 0 CIAARO Clc1cc(Cl)c(O[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC000042774494 567891599 /nfs/dbraw/zinc/89/15/99/567891599.db2.gz FAQKCHBBUKLKOI-SNVBAGLBSA-N 1 0 296.197 4.277 50 0 CIAARO Clc1ccc(OC2CC[NH2+]CC2)c(-c2ccccc2)c1 ZINC000042775490 567891885 /nfs/dbraw/zinc/89/18/85/567891885.db2.gz FGPCQBPOQCRAQR-UHFFFAOYSA-N 1 0 287.790 4.138 50 0 CIAARO N=C1C2=C3C=CC=C3C=C2CN1c1cccc2ccccc21 ZINC000048214007 567892840 /nfs/dbraw/zinc/89/28/40/567892840.db2.gz IHBACURLDRNAJO-UHFFFAOYSA-N 1 0 282.346 4.370 50 0 CIAARO C[C@@H]([NH2+]Cc1cc2ccccc2[nH]1)c1cccs1 ZINC000095421298 567894456 /nfs/dbraw/zinc/89/44/56/567894456.db2.gz DNOXPLLOYKQMNC-LLVKDONJSA-N 1 0 256.374 4.080 50 0 CIAARO C[C@H]([NH2+]Cc1cc2ccccc2[nH]1)c1cccs1 ZINC000095421297 567894579 /nfs/dbraw/zinc/89/45/79/567894579.db2.gz DNOXPLLOYKQMNC-NSHDSACASA-N 1 0 256.374 4.080 50 0 CIAARO CC(C)[NH2+]Cc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000057353112 567894882 /nfs/dbraw/zinc/89/48/82/567894882.db2.gz HRCPDUGMFHTIHC-UHFFFAOYSA-N 1 0 296.389 4.327 50 0 CIAARO Cn1cc(C[NH2+]CCc2ccc(Cl)cc2)c2ccccc21 ZINC000057353197 567894970 /nfs/dbraw/zinc/89/49/70/567894970.db2.gz LVEHPVHZNAMJPC-UHFFFAOYSA-N 1 0 298.817 4.164 50 0 CIAARO CC[NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000057353100 567895072 /nfs/dbraw/zinc/89/50/72/567895072.db2.gz GCQQHLKEXMUMFS-UHFFFAOYSA-N 1 0 298.817 4.453 50 0 CIAARO Nc1ccc([C@H]2CCCC[N@@H+]2CCc2ccccc2)cc1 ZINC000064033782 567897758 /nfs/dbraw/zinc/89/77/58/567897758.db2.gz SJVFAJXDHFCTHY-LJQANCHMSA-N 1 0 280.415 4.039 50 0 CIAARO CCc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C)c(C)c2)on1 ZINC000064666922 567897922 /nfs/dbraw/zinc/89/79/22/567897922.db2.gz VEEIGCVXCITRKF-QGZVFWFLSA-N 1 0 284.403 4.191 50 0 CIAARO CCc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C)c(C)c2)on1 ZINC000064666920 567897999 /nfs/dbraw/zinc/89/79/99/567897999.db2.gz VEEIGCVXCITRKF-KRWDZBQOSA-N 1 0 284.403 4.191 50 0 CIAARO CC(C)n1cnnc1[C@H](C)[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000065373771 567898554 /nfs/dbraw/zinc/89/85/54/567898554.db2.gz FDYRSMCZNDBFLJ-ZDUSSCGKSA-N 1 0 292.471 4.115 50 0 CIAARO Clc1cccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000065423530 567898972 /nfs/dbraw/zinc/89/89/72/567898972.db2.gz UAAOLCBFEWZOEP-MRXNPFEDSA-N 1 0 272.779 4.072 50 0 CIAARO COc1cc(C)c(-c2ccc(C[NH+](C)C)cc2)cc1C ZINC000065428647 567899138 /nfs/dbraw/zinc/89/91/38/567899138.db2.gz BYRVKPHDCIOCIX-UHFFFAOYSA-N 1 0 269.388 4.041 50 0 CIAARO CC[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(F)c(C)c1 ZINC000065509321 567899677 /nfs/dbraw/zinc/89/96/77/567899677.db2.gz LFWYJVJURFIPMJ-KRWDZBQOSA-N 1 0 272.367 4.112 50 0 CIAARO c1ccc(CC(Cc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000071772794 567902301 /nfs/dbraw/zinc/90/23/01/567902301.db2.gz ROWLZDBHPHJNGM-UHFFFAOYSA-N 1 0 279.427 4.326 50 0 CIAARO CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000097164480 567905312 /nfs/dbraw/zinc/90/53/12/567905312.db2.gz ZLYLNQCODJGKTC-HRCADAONSA-N 1 0 258.409 4.067 50 0 CIAARO [NH3+]CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000001645453 567907543 /nfs/dbraw/zinc/90/75/43/567907543.db2.gz WIQRCHMSJFFONW-OAHLLOKOSA-N 1 0 295.304 4.174 50 0 world CIAARO Cc1ccccc1C[N@H+]1CCC[C@H](c2nccn2C(C)C)C1 ZINC000095374433 567909304 /nfs/dbraw/zinc/90/93/04/567909304.db2.gz NMMUDQSLWLFATG-SFHVURJKSA-N 1 0 297.446 4.152 50 0 CIAARO Clc1cccc(Cl)c1SC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000095908603 567909689 /nfs/dbraw/zinc/90/96/89/567909689.db2.gz IGJBRKCXJGRMDN-ULKQDVFKSA-N 1 0 288.243 4.369 50 0 CIAARO CCCC[C@@H](CC)COCC[NH+](C(C)C)C(C)C ZINC000096180977 567910209 /nfs/dbraw/zinc/91/02/09/567910209.db2.gz ZIILPLXBYOAMEO-MRXNPFEDSA-N 1 0 257.462 4.338 50 0 CIAARO CCc1oc2ccccc2c1C(=O)CC[NH+]1CCCCC1 ZINC000000098373 567910394 /nfs/dbraw/zinc/91/03/94/567910394.db2.gz RWTINHUYFIZICV-UHFFFAOYSA-N 1 0 285.387 4.054 50 0 CIAARO Cc1ccc2[nH+]c(C)cc(NCc3ccco3)c2c1 ZINC000000120800 567923290 /nfs/dbraw/zinc/92/32/90/567923290.db2.gz TZTDPIYWBVXOQV-UHFFFAOYSA-N 1 0 252.317 4.057 50 0 CIAARO Cc1cccc(C)c1Oc1ncccc1C[NH2+]C1CCC1 ZINC000011821422 567928453 /nfs/dbraw/zinc/92/84/53/567928453.db2.gz MAMLKIAYRHCHDY-UHFFFAOYSA-N 1 0 282.387 4.133 50 0 CIAARO CC[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000010474748 567939638 /nfs/dbraw/zinc/93/96/38/567939638.db2.gz BDQCBQGFLRTXSI-UHFFFAOYSA-N 1 0 275.779 4.029 50 0 CIAARO CC(C)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000010435800 567939664 /nfs/dbraw/zinc/93/96/64/567939664.db2.gz GSNRPZGIXDVRFJ-UHFFFAOYSA-N 1 0 289.806 4.417 50 0 CIAARO CC(C)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000010436017 567939720 /nfs/dbraw/zinc/93/97/20/567939720.db2.gz DLSUSOREWQKAHD-UHFFFAOYSA-N 1 0 289.806 4.417 50 0 CIAARO [NH3+]CC/C=C1\c2ccccc2CSc2ccccc21 ZINC000101131545 567940868 /nfs/dbraw/zinc/94/08/68/567940868.db2.gz ODRWNMOVHUSDRV-OQLLNIDSSA-N 1 0 267.397 4.073 50 0 CIAARO CC(C)CC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000013718312 567942150 /nfs/dbraw/zinc/94/21/50/567942150.db2.gz ZHWBGMLSBRZNFR-UHFFFAOYSA-N 1 0 261.340 4.221 50 0 CIAARO CCC(C)(C)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000013718314 567942264 /nfs/dbraw/zinc/94/22/64/567942264.db2.gz NIBROLNBDCMIOG-UHFFFAOYSA-N 1 0 261.340 4.364 50 0 CIAARO C[NH+](C)CCO[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000000284540 567944720 /nfs/dbraw/zinc/94/47/20/567944720.db2.gz CYTJSDVBPCRZFB-KRWDZBQOSA-N 1 0 289.806 4.008 50 0 CIAARO C[NH2+]Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000019777224 567944853 /nfs/dbraw/zinc/94/48/53/567944853.db2.gz QUMBDHZUPNELLE-UHFFFAOYSA-N 1 0 296.197 4.292 50 0 CIAARO Clc1ccc([C@H]2CCC[N@H+](Cc3cscn3)C2)cc1 ZINC000215939938 567947360 /nfs/dbraw/zinc/94/73/60/567947360.db2.gz UXTRPXWPQCIBPU-ZDUSSCGKSA-N 1 0 292.835 4.176 50 0 CIAARO Cc1c2ccccc2oc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000216420132 567947755 /nfs/dbraw/zinc/94/77/55/567947755.db2.gz LMBKQQVSQSJCEI-UHFFFAOYSA-N 1 0 299.414 4.134 50 0 CIAARO Cc1c(F)cccc1-c1ccc(C[NH2+]Cc2cccnc2)o1 ZINC000225391896 567953423 /nfs/dbraw/zinc/95/34/23/567953423.db2.gz WOGHTGGRUPVKLU-UHFFFAOYSA-N 1 0 296.345 4.079 50 0 CIAARO CCC[NH2+]Cc1ccc(OCc2ccccc2C)cc1 ZINC000032117743 567955817 /nfs/dbraw/zinc/95/58/17/567955817.db2.gz AFUBSUGHHFEJQO-UHFFFAOYSA-N 1 0 269.388 4.074 50 0 CIAARO C[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@@H](C)C1(C)O ZINC000013424373 567955865 /nfs/dbraw/zinc/95/58/65/567955865.db2.gz PPULLACTYCCYOK-OHDICMOHSA-N 1 0 295.426 4.095 50 0 CIAARO CC(C)[NH2+]Cc1cccc(OCc2cccc(Cl)c2)c1 ZINC000032145929 567955875 /nfs/dbraw/zinc/95/58/75/567955875.db2.gz GAQOAOHEOAFAMF-UHFFFAOYSA-N 1 0 289.806 4.417 50 0 CIAARO C[NH2+]Cc1ccc(Oc2ccc(F)c(C)c2)cc1Cl ZINC000234424963 570227807 /nfs/dbraw/zinc/22/78/07/570227807.db2.gz DMXOUMBBZNNMIY-UHFFFAOYSA-N 1 0 279.742 4.299 50 0 CIAARO Cc1ccc(-c2[nH]c3ccccc3c2SC(N)=[NH2+])cc1 ZINC000026422847 570231788 /nfs/dbraw/zinc/23/17/88/570231788.db2.gz SGSLFKDQGPJOIF-UHFFFAOYSA-N 1 0 281.384 4.129 50 0 CIAARO Cc1ncsc1C[NH2+][C@@H](C)c1coc2ccccc21 ZINC000585135028 570252165 /nfs/dbraw/zinc/25/21/65/570252165.db2.gz UQSVOCXTIDSWMA-JTQLQIEISA-N 1 0 272.373 4.049 50 0 CIAARO Cc1cc([C@H]2CCCN2Cc2oc3ccccc3c2C)no1 ZINC000215434524 570302823 /nfs/dbraw/zinc/30/28/23/570302823.db2.gz NDVYQCYQEPDUJQ-MRXNPFEDSA-N 1 0 296.370 4.375 50 0 CIAARO CC[N@H+](Cc1c(F)cccc1Cl)CC1(C)CCOCC1 ZINC000215496579 570303389 /nfs/dbraw/zinc/30/33/89/570303389.db2.gz HRXPKQHFSWTWGK-UHFFFAOYSA-N 1 0 299.817 4.118 50 0 CIAARO C[n+]1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C ZINC000003107503 570320046 /nfs/dbraw/zinc/32/00/46/570320046.db2.gz UTQHSNXMBGEPCH-UHFFFAOYSA-N 1 0 262.461 4.404 50 0 CIAARO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000015837082 570343908 /nfs/dbraw/zinc/34/39/08/570343908.db2.gz BVKWXSGKWIVGDV-IBGZPJMESA-N 1 0 297.398 4.041 50 0 CIAARO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cccc(F)c2)c1 ZINC000015836797 570344027 /nfs/dbraw/zinc/34/40/27/570344027.db2.gz BRKQUCCCRPWBTQ-SFHVURJKSA-N 1 0 269.363 4.471 50 0 CIAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C)cc2)cc1 ZINC000015837055 570344012 /nfs/dbraw/zinc/34/40/12/570344012.db2.gz QRMOFYPPALVYFD-IBGZPJMESA-N 1 0 281.399 4.341 50 0 CIAARO Cc1csc([C@@H]([NH2+]Cc2cccc3[nH]ccc32)C2CC2)n1 ZINC000089705420 570368501 /nfs/dbraw/zinc/36/85/01/570368501.db2.gz ANYRWGNIKPHHKF-INIZCTEOSA-N 1 0 297.427 4.174 50 0 CIAARO C(=C/c1ccccc1)\CN1CC[NH+](C2CCCCCC2)CC1 ZINC000019637277 570396610 /nfs/dbraw/zinc/39/66/10/570396610.db2.gz MGTMDZNMDVENFM-DHZHZOJOSA-N 1 0 298.474 4.040 50 0 CIAARO C[C@@H](C[NH2+][C@@H](C)Cc1ccccc1)Cc1ccccc1 ZINC000670419686 570397977 /nfs/dbraw/zinc/39/79/77/570397977.db2.gz DGCRPVNKBNUNMC-SJORKVTESA-N 1 0 267.416 4.086 50 0 CIAARO C[C@H](C[NH2+][C@@H](C)Cc1ccccc1)Cc1ccccc1 ZINC000670419685 570397987 /nfs/dbraw/zinc/39/79/87/570397987.db2.gz DGCRPVNKBNUNMC-IRXDYDNUSA-N 1 0 267.416 4.086 50 0 CIAARO CC[C@H]([NH2+]Cc1ccc(F)c(OC)c1F)c1cccs1 ZINC000952974292 615819223 /nfs/dbraw/zinc/81/92/23/615819223.db2.gz AIKMHURAXMRIOU-LBPRGKRZSA-N 1 0 297.370 4.276 50 0 CIAARO [NH3+][C@@H](CCCc1ccccc1)c1ccc2c(c1)CCCO2 ZINC000004063854 230368203 /nfs/dbraw/zinc/36/82/03/230368203.db2.gz ULWCTBBMVRCBSH-SFHVURJKSA-N 1 0 281.399 4.034 50 0 CIAARO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000095941307 185035559 /nfs/dbraw/zinc/03/55/59/185035559.db2.gz WIOMUAHOHAVADM-VXGBXAGGSA-N 1 0 272.845 4.101 50 0 CIAARO c1ccc(C[NH+](Cc2ccccc2)Cc2ccccn2)cc1 ZINC000096027071 185067374 /nfs/dbraw/zinc/06/73/74/185067374.db2.gz MDEBMBGNKHBMGC-UHFFFAOYSA-N 1 0 288.394 4.284 50 0 CIAARO CC(C)[C@@H]([NH2+]C[C@H]1CC=CCC1)c1nc2ccccc2[nH]1 ZINC000096997155 185148705 /nfs/dbraw/zinc/14/87/05/185148705.db2.gz GWVWUPDEKKPZEW-WMLDXEAASA-N 1 0 283.419 4.206 50 0 CIAARO CC[C@H](COC)[NH2+][C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000097017313 529399512 /nfs/dbraw/zinc/39/95/12/529399512.db2.gz DMPLLIQINSAYDM-IUODEOHRSA-N 1 0 285.378 4.067 50 0 CIAARO CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000108503221 186220782 /nfs/dbraw/zinc/22/07/82/186220782.db2.gz ZLYLNQCODJGKTC-XHSDSOJGSA-N 1 0 258.409 4.067 50 0 CIAARO Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000152093674 187995791 /nfs/dbraw/zinc/99/57/91/187995791.db2.gz OWZHGGQGPCRZDT-HUBLWGQQSA-N 1 0 278.440 4.027 50 0 CIAARO CC(C)C[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000000352119 169614868 /nfs/dbraw/zinc/61/48/68/169614868.db2.gz POSWUFVSESLBCI-NSHDSACASA-N 1 0 259.315 4.230 50 0 CIAARO Cc1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2[o+]1 ZINC000000390266 169627379 /nfs/dbraw/zinc/62/73/79/169627379.db2.gz CWSJCDYAEDIUED-UHFFFAOYSA-N 1 0 287.342 4.056 50 0 CIAARO ClC(Cl)=C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000000529417 169663216 /nfs/dbraw/zinc/66/32/16/169663216.db2.gz JKWIWEZBSDQYNF-GFCCVEGCSA-N 1 0 256.176 4.143 50 0 CIAARO c1ccc(CC[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000000978640 169684207 /nfs/dbraw/zinc/68/42/07/169684207.db2.gz ARPMSXRDVJRIJH-LJQANCHMSA-N 1 0 290.410 4.378 50 0 CIAARO COc1cccc2cc([C@@H](C)[NH2+][C@H](C)c3ccncc3)oc21 ZINC000095349349 184949534 /nfs/dbraw/zinc/94/95/34/184949534.db2.gz QYEVHOHWFZLBBW-CHWSQXEVSA-N 1 0 296.370 4.248 50 0 CIAARO C[C@@H](C[NH2+]CCCc1ccccc1)c1ccccc1 ZINC000001829435 169758729 /nfs/dbraw/zinc/75/87/29/169758729.db2.gz YLTPTBXCAIPODK-INIZCTEOSA-N 1 0 253.389 4.013 50 0 CIAARO CC(C)(C)c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000002494157 169795188 /nfs/dbraw/zinc/79/51/88/169795188.db2.gz OMSJVRWLPCHCOE-UHFFFAOYSA-N 1 0 275.436 4.239 50 0 CIAARO CC[NH+](CC)CCCOc1cc(Cl)ccc1Cl ZINC000002497486 169795808 /nfs/dbraw/zinc/79/58/08/169795808.db2.gz FIAONZOWMJTCEF-UHFFFAOYSA-N 1 0 276.207 4.104 50 0 CIAARO CC[C@H](C)[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000002823785 169834763 /nfs/dbraw/zinc/83/47/63/169834763.db2.gz RMJFYGBCYRSVGX-HNNXBMFYSA-N 1 0 269.388 4.121 50 0 CIAARO C[C@H]1CCC[N@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000002822204 169834873 /nfs/dbraw/zinc/83/48/73/169834873.db2.gz LYROKVNZQMKYTQ-INIZCTEOSA-N 1 0 283.415 4.341 50 0 CIAARO c1ccc2c(c1)cccc2OCCCC[NH+]1CCCC1 ZINC000002885554 169841533 /nfs/dbraw/zinc/84/15/33/169841533.db2.gz GAUZOGMZSRGFOV-UHFFFAOYSA-N 1 0 269.388 4.095 50 0 CIAARO Cc1ccc(C)c(OCCCCCC[NH+]2CCCC2)c1 ZINC000002894432 169842666 /nfs/dbraw/zinc/84/26/66/169842666.db2.gz VNGINFBLLCVPHC-UHFFFAOYSA-N 1 0 275.436 4.338 50 0 CIAARO CC(C)c1cccc(OCCCC[NH2+]C(C)(C)C)c1 ZINC000002932499 169844577 /nfs/dbraw/zinc/84/45/77/169844577.db2.gz VVRBQYAYJVFABP-UHFFFAOYSA-N 1 0 263.425 4.357 50 0 CIAARO Cc1ccc(C)c(OCCCC[NH+]2CCCCC2)c1C ZINC000002932814 169844696 /nfs/dbraw/zinc/84/46/96/169844696.db2.gz YSXBRXKDSXHRFF-UHFFFAOYSA-N 1 0 275.436 4.257 50 0 CIAARO Clc1cccc(OCCC[NH+]2CCCCC2)c1Cl ZINC000002931862 169844885 /nfs/dbraw/zinc/84/48/85/169844885.db2.gz ZUOXOTARQOPZQO-UHFFFAOYSA-N 1 0 288.218 4.248 50 0 CIAARO Cc1[nH]c2ccccc2c1[C@H](c1ccccn1)[NH+]1CCCC1 ZINC000004123471 169935498 /nfs/dbraw/zinc/93/54/98/169935498.db2.gz NYLBXJXLAMHKSG-IBGZPJMESA-N 1 0 291.398 4.057 50 0 CIAARO Fc1ccc(C[NH2+]Cc2ccc(Cl)cc2Cl)cc1 ZINC000004688993 169999326 /nfs/dbraw/zinc/99/93/26/169999326.db2.gz FWKLZBLQOXLBCR-UHFFFAOYSA-N 1 0 284.161 4.422 50 0 CIAARO Cc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)c(C(C)(C)C)c1 ZINC000004845412 170029508 /nfs/dbraw/zinc/02/95/08/170029508.db2.gz VDEHWATYOOLXTD-MRXNPFEDSA-N 1 0 289.463 4.403 50 0 CIAARO CC[C@@H](C)c1ccccc1OCC[N@@H+]1CCC[C@H](C)C1 ZINC000004906594 170040140 /nfs/dbraw/zinc/04/01/40/170040140.db2.gz ODYGTZFICIVCRH-JKSUJKDBSA-N 1 0 275.436 4.311 50 0 CIAARO FC(F)(F)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000004978557 170047965 /nfs/dbraw/zinc/04/79/65/170047965.db2.gz AGGFZSYDRDIGDW-UHFFFAOYSA-N 1 0 257.299 4.081 50 0 CIAARO ClC(Cl)=C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000004981279 170048396 /nfs/dbraw/zinc/04/83/96/170048396.db2.gz JKWIWEZBSDQYNF-LBPRGKRZSA-N 1 0 256.176 4.143 50 0 CIAARO COc1ccc(CC[C@@H](C)[NH2+]C[C@H](C)c2ccccc2)cc1 ZINC000004989303 170049788 /nfs/dbraw/zinc/04/97/88/170049788.db2.gz NUTGYDWYUOWFIB-DLBZAZTESA-N 1 0 297.442 4.410 50 0 CIAARO CC[NH+](CC)CCCOc1c(Cl)cccc1Cl ZINC000005008033 170054618 /nfs/dbraw/zinc/05/46/18/170054618.db2.gz KIDJMQPWTRNSPL-UHFFFAOYSA-N 1 0 276.207 4.104 50 0 CIAARO CC[NH+](CC)CCCOc1c(Cl)cc(C)cc1Cl ZINC000005024282 170057094 /nfs/dbraw/zinc/05/70/94/170057094.db2.gz ZHEPPTMXKWQTAA-UHFFFAOYSA-N 1 0 290.234 4.413 50 0 CIAARO CC[NH+](CC)Cc1ccc(NC(=O)c2ccccc2C)cc1 ZINC000005041251 170059763 /nfs/dbraw/zinc/05/97/63/170059763.db2.gz UOEPUSRHGBHSMO-UHFFFAOYSA-N 1 0 296.414 4.089 50 0 CIAARO COc1cc(C[NH2+]C2CCCC2)c(Cl)cc1OC(C)C ZINC000005064610 170063053 /nfs/dbraw/zinc/06/30/53/170063053.db2.gz LXEBPTOEZRYHGI-UHFFFAOYSA-N 1 0 297.826 4.168 50 0 CIAARO C[C@H](CC(=O)[C@H]1[C@@H](C)C=CCC1(C)C)[NH2+]Cc1ccccc1 ZINC000005151620 170070918 /nfs/dbraw/zinc/07/09/18/170070918.db2.gz QMLSZOCKIAJRPY-FRQCXROJSA-N 1 0 299.458 4.362 50 0 CIAARO Cc1[nH]c2cc(C)ccc2c1C(=O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000005532744 170109601 /nfs/dbraw/zinc/10/96/01/170109601.db2.gz NUOGZNCSIVXAOD-OKILXGFUSA-N 1 0 298.430 4.230 50 0 CIAARO Cc1ccc(O[C@H](C)CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000005752692 170137158 /nfs/dbraw/zinc/13/71/58/170137158.db2.gz UVBPQXGSUGLCCF-IAGOWNOFSA-N 1 0 275.436 4.417 50 0 CIAARO COc1c(Cl)cc(Cl)cc1C[NH2+]C1CCCC1 ZINC000005910340 170154311 /nfs/dbraw/zinc/15/43/11/170154311.db2.gz UNMKFJRKZUMXSO-UHFFFAOYSA-N 1 0 274.191 4.034 50 0 CIAARO COc1ccc2[nH+]c(C)cc(Nc3ccccc3OC)c2c1 ZINC000005986571 170166044 /nfs/dbraw/zinc/16/60/44/170166044.db2.gz RRMMLRQFVGCFES-UHFFFAOYSA-N 1 0 294.354 4.304 50 0 CIAARO CCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000006430886 170201008 /nfs/dbraw/zinc/20/10/08/170201008.db2.gz AWAKTVOIIPUUHT-UHFFFAOYSA-N 1 0 289.806 4.419 50 0 CIAARO CC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000006497326 170207273 /nfs/dbraw/zinc/20/72/73/170207273.db2.gz ZDOMUFPLECHWGM-UHFFFAOYSA-N 1 0 293.769 4.168 50 0 CIAARO COc1cccc(C2([NH+]3CCCCC3)CCCCC2)c1 ZINC000006523814 170210061 /nfs/dbraw/zinc/21/00/61/170210061.db2.gz BQQSZHHKGPOXLN-UHFFFAOYSA-N 1 0 273.420 4.341 50 0 in-vitro CIAARO COCCC[NH2+]CC[C@H](c1ccc(Cl)cc1)C(C)C ZINC000006669902 170224502 /nfs/dbraw/zinc/22/45/02/170224502.db2.gz JCINOGRXUBAXQF-INIZCTEOSA-N 1 0 283.843 4.096 50 0 CIAARO c1cc(-c2ccccc2)oc1C[NH2+]Cc1ccccc1 ZINC000006730069 170234871 /nfs/dbraw/zinc/23/48/71/170234871.db2.gz SAUMFLOIZRAZHI-UHFFFAOYSA-N 1 0 263.340 4.236 50 0 CIAARO CC(C)(C)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000006882583 170253028 /nfs/dbraw/zinc/25/30/28/170253028.db2.gz HHGIJAONAWPJNQ-UHFFFAOYSA-N 1 0 269.388 4.154 50 0 CIAARO CCCCCC[NH2+]Cc1cc(Cl)c(OC)c(OCC)c1 ZINC000007260966 170274002 /nfs/dbraw/zinc/27/40/02/170274002.db2.gz UWZZOJJFDZWPIH-UHFFFAOYSA-N 1 0 299.842 4.417 50 0 CIAARO CCC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000007262379 170274465 /nfs/dbraw/zinc/27/44/65/170274465.db2.gz MWYSPOSBIRGUGE-UHFFFAOYSA-N 1 0 289.806 4.419 50 0 CIAARO CCC[NH2+]Cc1ccc(-c2cccc(Cl)c2C)o1 ZINC000007262394 170274476 /nfs/dbraw/zinc/27/44/76/170274476.db2.gz NMYSNXNARATDLA-UHFFFAOYSA-N 1 0 263.768 4.408 50 0 CIAARO CCOc1cccc(C[NH2+]C2CCCCCCC2)c1 ZINC000007523449 170288898 /nfs/dbraw/zinc/28/88/98/170288898.db2.gz PFFSZEMQXSZBMU-UHFFFAOYSA-N 1 0 261.409 4.288 50 0 CIAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+]C2CC2)o1 ZINC000007539268 170290133 /nfs/dbraw/zinc/29/01/33/170290133.db2.gz DDNVGUQUNOBMDE-UHFFFAOYSA-N 1 0 261.752 4.160 50 0 CIAARO CC[C@H](C)[NH2+]Cc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000007539600 170290346 /nfs/dbraw/zinc/29/03/46/170290346.db2.gz QDXFGQQCRMSKLA-NSHDSACASA-N 1 0 293.794 4.497 50 0 CIAARO CC(C)[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000007736212 170299874 /nfs/dbraw/zinc/29/98/74/170299874.db2.gz XLDQFZMEKCBCDZ-UHFFFAOYSA-N 1 0 289.806 4.417 50 0 CIAARO CSc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000008496840 170337936 /nfs/dbraw/zinc/33/79/36/170337936.db2.gz VZYUSYLZTYHMEI-UHFFFAOYSA-N 1 0 287.472 4.467 50 0 CIAARO CC[C@@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2ccc(C)cc2c1=O ZINC000008700837 170346606 /nfs/dbraw/zinc/34/66/06/170346606.db2.gz VAHWGRMDQBRJGP-OAHLLOKOSA-N 1 0 298.430 4.322 50 0 CIAARO CCc1ccc2[nH]c(C)c(C[NH+]3CCCCCC3)c(=O)c2c1 ZINC000008714145 170348448 /nfs/dbraw/zinc/34/84/48/170348448.db2.gz JARWIKAZBWJPCJ-UHFFFAOYSA-N 1 0 298.430 4.187 50 0 CIAARO Cc1cc(C)c2[nH]c(C)c(C[NH+]3CCC(C)CC3)c(=O)c2c1 ZINC000008714099 170348479 /nfs/dbraw/zinc/34/84/79/170348479.db2.gz GBKJIISOXXPBHS-UHFFFAOYSA-N 1 0 298.430 4.098 50 0 CIAARO Cc1ccc(Nc2nc(C[NH2+]C(C)(C)C)cs2)cc1C ZINC000008710649 170348540 /nfs/dbraw/zinc/34/85/40/170348540.db2.gz FBQXVVXZZHVSCP-UHFFFAOYSA-N 1 0 289.448 4.392 50 0 CIAARO Cc1ccc2c(=O)c(C[NH+]3CCC(C)CC3)c(C)[nH]c2c1C ZINC000008714135 170348703 /nfs/dbraw/zinc/34/87/03/170348703.db2.gz GRWJFZQQEYSHTE-UHFFFAOYSA-N 1 0 298.430 4.098 50 0 CIAARO Cc1cc(C)c2c(c1)[nH]c(C)c(C[N@H+]1CCCC[C@@H]1C)c2=O ZINC000008717416 170349214 /nfs/dbraw/zinc/34/92/14/170349214.db2.gz DPOUHLUCOAIRPK-AWEZNQCLSA-N 1 0 298.430 4.240 50 0 CIAARO Cc1cc(C)c2c(c1)[nH]c(C)c(C[NH+]1CCC(C)CC1)c2=O ZINC000008717420 170349320 /nfs/dbraw/zinc/34/93/20/170349320.db2.gz DOXOELWHXPKOTC-UHFFFAOYSA-N 1 0 298.430 4.098 50 0 CIAARO CC(C)[C@@H](CC[N@H+](C)[C@@H]1CCOC(C)(C)C1)c1ccco1 ZINC000009547922 170381132 /nfs/dbraw/zinc/38/11/32/170381132.db2.gz PDBCXBRKTNIGCU-HZPDHXFCSA-N 1 0 293.451 4.299 50 0 CIAARO C[C@H](C[NH2+]C1C2CC3CC(C2)CC1C3)c1ccccc1 ZINC000010436597 170406712 /nfs/dbraw/zinc/40/67/12/170406712.db2.gz IYSFGVDSAMJEDU-CSCXSELSSA-N 1 0 269.432 4.204 50 0 CIAARO C[C@@H](C[NH2+]CCc1c[nH]c2ccccc12)c1ccccc1 ZINC000010475281 170408284 /nfs/dbraw/zinc/40/82/84/170408284.db2.gz AKRXHLDBKSHANN-HNNXBMFYSA-N 1 0 278.399 4.104 50 0 CIAARO CC(C)Oc1ccc([C@@H]([NH2+]Cc2ccccn2)C(C)C)cc1 ZINC000012324963 170476009 /nfs/dbraw/zinc/47/60/09/170476009.db2.gz ZEDBSSNNAXMIOK-IBGZPJMESA-N 1 0 298.430 4.356 50 0 CIAARO c1ccc(-c2ccc(OCC[C@H]3CCCC[NH2+]3)cc2)cc1 ZINC000020221568 171082949 /nfs/dbraw/zinc/08/29/49/171082949.db2.gz BVRILFVLSXAHRP-GOSISDBHSA-N 1 0 281.399 4.265 50 0 CIAARO CCC(C)(C)c1ccc(OCC[C@H]2CCCC[NH2+]2)cc1 ZINC000020221564 171083350 /nfs/dbraw/zinc/08/33/50/171083350.db2.gz XFZFFHYJACKBFM-MRXNPFEDSA-N 1 0 275.436 4.285 50 0 CIAARO C[C@H](C[NH2+]Cc1ccccc1Cl)c1ccccc1 ZINC000020476673 171221062 /nfs/dbraw/zinc/22/10/62/171221062.db2.gz NFKSXHPRNHOURZ-CYBMUJFWSA-N 1 0 259.780 4.233 50 0 CIAARO Cc1ccc(COc2cccc(C[NH2+]C(C)(C)C)c2)cc1 ZINC000020874418 171277199 /nfs/dbraw/zinc/27/71/99/171277199.db2.gz PSYSFRBQNSXEQC-UHFFFAOYSA-N 1 0 283.415 4.462 50 0 CIAARO CCCC[NH2+]Cc1cccc(OCc2ccc(C)cc2)c1 ZINC000020874439 171277450 /nfs/dbraw/zinc/27/74/50/171277450.db2.gz IYGUFOOUOBMLNA-UHFFFAOYSA-N 1 0 283.415 4.464 50 0 CIAARO CCCOc1ccc(Cl)cc1C[NH2+]CCCOC(C)C ZINC000020929059 171280347 /nfs/dbraw/zinc/28/03/47/171280347.db2.gz GSIQPXCYPZIJDD-UHFFFAOYSA-N 1 0 299.842 4.034 50 0 CIAARO CCCOc1ccc(C[NH2+]CCC(C)C)cc1Cl ZINC000020925751 171280565 /nfs/dbraw/zinc/28/05/65/171280565.db2.gz OSZZTXOEOJPJLA-UHFFFAOYSA-N 1 0 269.816 4.265 50 0 CIAARO CCCCCC[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000020927964 171280690 /nfs/dbraw/zinc/28/06/90/171280690.db2.gz FKAYWJFBNNBDOK-UHFFFAOYSA-N 1 0 255.789 4.019 50 0 CIAARO CCCOc1c(Cl)cc(C[NH2+][C@@H](C)CC)cc1OCC ZINC000020931948 171281081 /nfs/dbraw/zinc/28/10/81/171281081.db2.gz CYSQIPLPSVJLPW-LBPRGKRZSA-N 1 0 299.842 4.416 50 0 CIAARO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000021046090 171294209 /nfs/dbraw/zinc/29/42/09/171294209.db2.gz DDUUBOPACZXWGO-ZXFNITATSA-N 1 0 275.436 4.128 50 0 CIAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000021720670 171320332 /nfs/dbraw/zinc/32/03/32/171320332.db2.gz OZDYNBICFWUMGT-OAHLLOKOSA-N 1 0 290.794 4.282 50 0 CIAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1C ZINC000021719770 171320990 /nfs/dbraw/zinc/32/09/90/171320990.db2.gz ALCLIOTUWUWLAY-QGZVFWFLSA-N 1 0 284.403 4.245 50 0 CIAARO CCCCCC[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC000021790453 171323905 /nfs/dbraw/zinc/32/39/05/171323905.db2.gz BFASLLNHMJIWFC-UHFFFAOYSA-N 1 0 279.424 4.152 50 0 CIAARO Cc1ccc([C@@H](C)[NH2+][C@H](C)CCc2ccco2)cc1 ZINC000021797755 171325093 /nfs/dbraw/zinc/32/50/93/171325093.db2.gz SOZJHSAGRRZPDQ-HUUCEWRRSA-N 1 0 257.377 4.260 50 0 CIAARO Cc1cc(C)c(C[NH2+]CCc2c[nH]c3ccccc23)c(C)c1 ZINC000022771607 171398604 /nfs/dbraw/zinc/39/86/04/171398604.db2.gz UXBPQZMEHCQYQS-UHFFFAOYSA-N 1 0 292.426 4.425 50 0 CIAARO C[C@]12CC3CC([NH2+]Cc4ccco4)(C1)C[C@@](C)(C3)C2 ZINC000028427324 171558127 /nfs/dbraw/zinc/55/81/27/171558127.db2.gz FCPCDQMWELHSFB-JOHJCKIYSA-N 1 0 259.393 4.118 50 0 CIAARO Cc1cccc(COc2ccc(C[NH2+]C(C)C)cc2)c1 ZINC000032117746 171710034 /nfs/dbraw/zinc/71/00/34/171710034.db2.gz WULLVIYZEBTUIX-UHFFFAOYSA-N 1 0 269.388 4.072 50 0 CIAARO CC[C@H]([NH2+]Cc1c(C)noc1C)c1ccc(Cl)cc1 ZINC000035055419 171958233 /nfs/dbraw/zinc/95/82/33/171958233.db2.gz YXYJHIKBVTUYRX-HNNXBMFYSA-N 1 0 278.783 4.186 50 0 CIAARO Cc1ccc(C[NH2+][C@H]2CCCc3occc32)cc1C ZINC000035273605 172093704 /nfs/dbraw/zinc/09/37/04/172093704.db2.gz JZLSLRHANAMHNW-INIZCTEOSA-N 1 0 255.361 4.064 50 0 CIAARO Cc1ccccc1C[NH2+]Cc1ccc2ccccc2c1 ZINC000037486696 173230110 /nfs/dbraw/zinc/23/01/10/173230110.db2.gz LDJHTOHXPFCZNX-UHFFFAOYSA-N 1 0 261.368 4.438 50 0 CIAARO CCOc1cccc(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)c1 ZINC000037505670 173240943 /nfs/dbraw/zinc/24/09/43/173240943.db2.gz HGOCTQLFKYZQJE-DYVFJYSZSA-N 1 0 285.387 4.092 50 0 CIAARO CC[NH2+][C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000038071438 174082117 /nfs/dbraw/zinc/08/21/17/174082117.db2.gz DHBPXIAWWNHYCA-CYBMUJFWSA-N 1 0 255.361 4.033 50 0 CIAARO C(\c1ccc(OCc2ccccc2)cc1)=C1/CCC[NH2+]C1 ZINC000038518572 174143813 /nfs/dbraw/zinc/14/38/13/174143813.db2.gz HPTTUVOXZUMQQL-AQTBWJFISA-N 1 0 279.383 4.032 50 0 CIAARO CCC(C)(C)[NH2+]Cc1cc(Cl)cc(OC)c1OC(C)C ZINC000040728425 174387739 /nfs/dbraw/zinc/38/77/39/174387739.db2.gz OULWUCBCMSNCGL-UHFFFAOYSA-N 1 0 299.842 4.414 50 0 CIAARO Cc1ccccc1COc1ccccc1C[NH2+]C(C)(C)C ZINC000040731543 174388686 /nfs/dbraw/zinc/38/86/86/174388686.db2.gz XNILXURTZPLOBX-UHFFFAOYSA-N 1 0 283.415 4.462 50 0 CIAARO Cc1cc(C(C)(C)C)ccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042770703 174871014 /nfs/dbraw/zinc/87/10/14/174871014.db2.gz YLJVHKKVJSMOOZ-HNNXBMFYSA-N 1 0 275.436 4.061 50 0 CIAARO C[C@H]([NH2+]Cc1cn(C)c2ccccc12)c1ccccc1 ZINC000045944972 175387239 /nfs/dbraw/zinc/38/72/39/175387239.db2.gz CZRUWPNDYHQLDR-AWEZNQCLSA-N 1 0 264.372 4.029 50 0 CIAARO Cn1cc(C[NH2+]CCC2=CCCCC2)c2ccccc21 ZINC000045945060 175387578 /nfs/dbraw/zinc/38/75/78/175387578.db2.gz QXHWUAMSXDASSR-UHFFFAOYSA-N 1 0 268.404 4.158 50 0 CIAARO Cc1ccc(Cn2cc(C[NH2+]C3CC3)c3ccccc32)cc1 ZINC000057353142 175594011 /nfs/dbraw/zinc/59/40/11/175594011.db2.gz MQPZJLUJUDRNII-UHFFFAOYSA-N 1 0 290.410 4.250 50 0 CIAARO Clc1ccc2nccc(-c3cccc4c3CC[NH2+]C4)c2c1 ZINC000071758942 176260542 /nfs/dbraw/zinc/26/05/42/176260542.db2.gz UZRMVYXAEOFNCL-UHFFFAOYSA-N 1 0 294.785 4.201 50 0 CIAARO C[C@H]([NH2+]CCn1cnc2ccccc21)c1ccccc1Cl ZINC000072271295 176354622 /nfs/dbraw/zinc/35/46/22/176354622.db2.gz DYLMNIFWLTUOLK-ZDUSSCGKSA-N 1 0 299.805 4.041 50 0 CIAARO CC[NH+](CC)CC[C@](O)(c1ccccc1)C1CCCCC1 ZINC000002843158 260010306 /nfs/dbraw/zinc/01/03/06/260010306.db2.gz IOZLFEFPJZYFFY-IBGZPJMESA-N 1 0 289.463 4.186 50 0 CIAARO Cc1ccsc1C[NH2+][C@H](C)CCc1ccccc1 ZINC000021519836 260121462 /nfs/dbraw/zinc/12/14/62/260121462.db2.gz CUAHYOCJJGRUIY-CQSZACIVSA-N 1 0 259.418 4.167 50 0 CIAARO Fc1ccc(-c2ccc(C[NH2+]Cc3cccs3)o2)cc1 ZINC000004869267 326812485 /nfs/dbraw/zinc/81/24/85/326812485.db2.gz BVMLYDWMOYRGPI-UHFFFAOYSA-N 1 0 287.359 4.437 50 0 CIAARO C[C@H]([NH2+]C1CCSCC1)c1ccc(-c2cccnc2)cc1 ZINC000096478985 533812547 /nfs/dbraw/zinc/81/25/47/533812547.db2.gz CNPXIXKGIYTYKB-AWEZNQCLSA-N 1 0 298.455 4.295 50 0 CIAARO Clc1ccccc1COc1ccccc1C[NH2+]C1CC1 ZINC000016449611 526989600 /nfs/dbraw/zinc/98/96/00/526989600.db2.gz CWPBFFVQFGPMBK-UHFFFAOYSA-N 1 0 287.790 4.171 50 0 CIAARO CC[NH+](CC)CCCCOc1ccc(Cl)cc1C ZINC000002931388 567850751 /nfs/dbraw/zinc/85/07/51/567850751.db2.gz FIGVBVRBGGUTHX-UHFFFAOYSA-N 1 0 269.816 4.149 50 0 CIAARO CCCC[NH2+]CCCCCCOc1cccc(C)c1 ZINC000002901050 567850758 /nfs/dbraw/zinc/85/07/58/567850758.db2.gz DQRWNPSJNJLGJE-UHFFFAOYSA-N 1 0 263.425 4.324 50 0 CIAARO Cc1ccc(C[NH2+][C@H](C)CCc2ccccc2)s1 ZINC000013717947 567867635 /nfs/dbraw/zinc/86/76/35/567867635.db2.gz HYXCXVPPRMQEJJ-CYBMUJFWSA-N 1 0 259.418 4.167 50 0 CIAARO CCC(C)(C)c1ccc(OC[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000042771025 567891680 /nfs/dbraw/zinc/89/16/80/567891680.db2.gz WVRRCANOFDMDJX-LBPRGKRZSA-N 1 0 281.827 4.016 50 0 CIAARO c1ccc(CC[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000000978639 566835130 /nfs/dbraw/zinc/83/51/30/566835130.db2.gz ARPMSXRDVJRIJH-IBGZPJMESA-N 1 0 290.410 4.378 50 0 CIAARO C1=C2[C@@H](CCC1)[C@H](C[NH+]1CCCCC1)O[C@H]1CCCC[C@@H]21 ZINC000004027242 566855188 /nfs/dbraw/zinc/85/51/88/566855188.db2.gz ZLGSKKXUVINAIN-RDGPPVDQSA-N 1 0 289.463 4.156 50 0 CIAARO CC(C)(CC[NH2+][C@H]1CCOC(C)(C)C1)Cc1ccccc1 ZINC000032124091 566863557 /nfs/dbraw/zinc/86/35/57/566863557.db2.gz CIGPKBJGMUCIPM-KRWDZBQOSA-N 1 0 289.463 4.193 50 0 CIAARO CC[NH2+]Cc1ccc(OCc2cccc(Cl)c2)cc1 ZINC000033440697 566891503 /nfs/dbraw/zinc/89/15/03/566891503.db2.gz GIHGJRFEEOZBJR-UHFFFAOYSA-N 1 0 275.779 4.029 50 0 CIAARO C[C@@H]([NH2+]Cc1ccnn1C)c1ccc(Cl)c2ccccc21 ZINC000185142087 566893152 /nfs/dbraw/zinc/89/31/52/566893152.db2.gz KUHWFVGWZQBQIE-GFCCVEGCSA-N 1 0 299.805 4.078 50 0 CIAARO Cc1ccc(/C=C/c2ccc(C[NH+](C)C)cc2)cc1 ZINC000003137276 566908776 /nfs/dbraw/zinc/90/87/76/566908776.db2.gz XZYLLRAVQNKEQG-CMDGGOBGSA-N 1 0 251.373 4.227 50 0 CIAARO CC[C@@H](C)Cn1c2ccccc2nc1C[NH+]1CCCCCC1 ZINC000015831900 566909593 /nfs/dbraw/zinc/90/95/93/566909593.db2.gz VUPLTEFVXIUXKY-MRXNPFEDSA-N 1 0 299.462 4.458 50 0 CIAARO Fc1cccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000015837321 566921311 /nfs/dbraw/zinc/92/13/11/566921311.db2.gz MJGNYGQPSOYZJX-KRWDZBQOSA-N 1 0 255.336 4.163 50 0 CIAARO C[C@H]1[C@H](O)[C@@H](C)[C@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1 ZINC000239212610 566965989 /nfs/dbraw/zinc/96/59/89/566965989.db2.gz TUHNPNHADQMPAJ-DGWIIEBVSA-N 1 0 295.426 4.048 50 0 CIAARO CCn1ncc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)c1C ZINC000426544297 566987835 /nfs/dbraw/zinc/98/78/35/566987835.db2.gz DOINLLRRFSPQHZ-CQSZACIVSA-N 1 0 283.419 4.035 50 0 CIAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc3c2CCCC3)C1 ZINC000006895110 567000911 /nfs/dbraw/zinc/00/09/11/567000911.db2.gz RHLPGVJPLXUHTK-BETUJISGSA-N 1 0 263.450 4.105 50 0 CIAARO Cc1ccc2[nH]c(Nc3cccc(Cl)c3)[nH+]c2c1 ZINC000041596707 567008111 /nfs/dbraw/zinc/00/81/11/567008111.db2.gz YBGDAGHQYYLRMT-UHFFFAOYSA-N 1 0 257.724 4.268 50 0 CIAARO CC[C@@H](C)[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000002823784 567037002 /nfs/dbraw/zinc/03/70/02/567037002.db2.gz RMJFYGBCYRSVGX-OAHLLOKOSA-N 1 0 269.388 4.121 50 0 CIAARO CC[C@H](C)c1ccccc1OCC[NH2+]Cc1ccccc1 ZINC000002822152 567037537 /nfs/dbraw/zinc/03/75/37/567037537.db2.gz FYOYAKXRHISLHD-INIZCTEOSA-N 1 0 283.415 4.369 50 0 CIAARO C[C@@H]([NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)c1cccnc1 ZINC000095419426 567039339 /nfs/dbraw/zinc/03/93/39/567039339.db2.gz ALHYKSMQCHIZQC-RHSMWYFYSA-N 1 0 294.398 4.179 50 0 CIAARO Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000095968010 567040932 /nfs/dbraw/zinc/04/09/32/567040932.db2.gz OTNSYZOJYMXMKI-VFZGTOFNSA-N 1 0 290.794 4.283 50 0 CIAARO c1ccc(C[C@@H]([NH2+]CC[C@H]2CCCO2)c2ccccc2)cc1 ZINC000170640691 567044304 /nfs/dbraw/zinc/04/43/04/567044304.db2.gz YVCRYZYAWVAHCD-WOJBJXKFSA-N 1 0 295.426 4.129 50 0 CIAARO CC(C)[C@@H](CC[NH2+]Cc1ccco1)[C@H]1CCOC(C)(C)C1 ZINC000002107560 567045011 /nfs/dbraw/zinc/04/50/11/567045011.db2.gz HNVRQBGJTGWGDS-DOTOQJQBSA-N 1 0 293.451 4.237 50 0 CIAARO Cc1ccc(C)c(-c2cncc(C[NH+]3CCCCC3)c2)c1 ZINC000037554012 567067817 /nfs/dbraw/zinc/06/78/17/567067817.db2.gz YELJXQDEFVXBCV-UHFFFAOYSA-N 1 0 280.415 4.351 50 0 CIAARO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC000095412243 567129371 /nfs/dbraw/zinc/12/93/71/567129371.db2.gz ICBSRZAYAKNCHD-SNVBAGLBSA-N 1 0 286.400 4.357 50 0 CIAARO CCCC[N@H+](Cc1csc(CC)n1)[C@@H](C)CC ZINC000095349903 567129399 /nfs/dbraw/zinc/12/93/99/567129399.db2.gz JTKXOQFHSQDTCS-LBPRGKRZSA-N 1 0 254.443 4.106 50 0 CIAARO Clc1ccc(C[NH2+]Cc2cccs2)c2ncccc12 ZINC000095415394 567130664 /nfs/dbraw/zinc/13/06/64/567130664.db2.gz JPPHMWOPNXQGGW-UHFFFAOYSA-N 1 0 288.803 4.240 50 0 CIAARO CC(C)C[C@@H]([NH2+]Cc1ccsc1)c1ccccn1 ZINC000095420289 567131230 /nfs/dbraw/zinc/13/12/30/567131230.db2.gz RPAAMBKYGJODSG-OAHLLOKOSA-N 1 0 260.406 4.020 50 0 CIAARO CC(C)C[C@H]([NH2+]Cc1ccsc1)c1ccccn1 ZINC000095420288 567131762 /nfs/dbraw/zinc/13/17/62/567131762.db2.gz RPAAMBKYGJODSG-HNNXBMFYSA-N 1 0 260.406 4.020 50 0 CIAARO CCCC[NH+]1CCN(c2ccccc2SCCC)CC1 ZINC000096026606 567139073 /nfs/dbraw/zinc/13/90/73/567139073.db2.gz CVCHTRZRLYJNCP-UHFFFAOYSA-N 1 0 292.492 4.111 50 0 CIAARO CCCC[N@H+](CCC)[C@@H]1CCc2cccc(OC)c2C1 ZINC000096026985 567139115 /nfs/dbraw/zinc/13/91/15/567139115.db2.gz YALOBKBKTDHANV-MRXNPFEDSA-N 1 0 275.436 4.065 50 0 CIAARO [NH3+]C[C@@H](CCCCCc1ccccc1)Oc1ccccc1 ZINC000096027242 567139628 /nfs/dbraw/zinc/13/96/28/567139628.db2.gz XMJQUBLGJOWVOW-LJQANCHMSA-N 1 0 283.415 4.196 50 0 CIAARO [NH2+]=C1Cc2ccccc2CN1c1cccc(C(F)(F)F)c1 ZINC000003164620 567162194 /nfs/dbraw/zinc/16/21/94/567162194.db2.gz YVRMZFZGMAPICY-UHFFFAOYSA-N 1 0 290.288 4.245 50 0 CIAARO CC(C)(C)c1ccc(OCCC[NH2+]Cc2ccco2)cc1 ZINC000003247061 567164987 /nfs/dbraw/zinc/16/49/87/567164987.db2.gz HPZAXWWZXCLVGL-UHFFFAOYSA-N 1 0 287.403 4.136 50 0 CIAARO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH2+]C(C)(C)C ZINC000003405368 567172644 /nfs/dbraw/zinc/17/26/44/567172644.db2.gz JHUVOMFLMSZWJZ-UHFFFAOYSA-N 1 0 290.451 4.260 50 0 CIAARO Cc1[nH]c2ccccc2c1[C@@H](c1ccccn1)[NH+]1CCCC1 ZINC000004123470 567187245 /nfs/dbraw/zinc/18/72/45/567187245.db2.gz NYLBXJXLAMHKSG-LJQANCHMSA-N 1 0 291.398 4.057 50 0 CIAARO COc1ccc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004311801 567195508 /nfs/dbraw/zinc/19/55/08/567195508.db2.gz DCMRZMICRZUZGY-RRCMXIFQSA-N 1 0 299.458 4.390 50 0 CIAARO C[C@@H](CN1c2ccccc2Sc2ccccc21)[NH+](C)C ZINC000000020250 567816406 /nfs/dbraw/zinc/81/64/06/567816406.db2.gz PWWVAXIEGOYWEE-ZDUSSCGKSA-N 1 0 284.428 4.239 50 0 fda CIAARO Fc1ccc(COc2ccccc2C[NH2+]C2CCCC2)cc1 ZINC000000119175 567818878 /nfs/dbraw/zinc/81/88/78/567818878.db2.gz UNLQTVAVWVMEFK-UHFFFAOYSA-N 1 0 299.389 4.437 50 0 CIAARO c1ccc(C[NH+]2CCC3(CC2)Nc2ccccc2S3)cc1 ZINC000000156350 567820587 /nfs/dbraw/zinc/82/05/87/567820587.db2.gz VNSVQTGIKLTTQJ-UHFFFAOYSA-N 1 0 296.439 4.197 50 0 CIAARO C[N@H+](C[C@H](O)c1ccccc1)C1CCC(C(C)(C)C)CC1 ZINC000000213237 567822594 /nfs/dbraw/zinc/82/25/94/567822594.db2.gz PWFREQYOBTURQM-ABHNRTSZSA-N 1 0 289.463 4.257 50 0 CIAARO Clc1cccc(Cl)c1C[n+]1cccc2ccccc21 ZINC000000331483 567825505 /nfs/dbraw/zinc/82/55/05/567825505.db2.gz ZUJYBNDKBLXZSP-UHFFFAOYSA-N 1 0 289.185 4.482 50 0 CIAARO CC[N@H+](CCO)Cc1csc2ccc(C(C)(C)C)cc12 ZINC000000338836 567825650 /nfs/dbraw/zinc/82/56/50/567825650.db2.gz WYIMISUFHIJOTF-UHFFFAOYSA-N 1 0 291.460 4.013 50 0 CIAARO CC1CC[NH+](Cn2c3ccccc3sc2=S)CC1 ZINC000000340091 567825810 /nfs/dbraw/zinc/82/58/10/567825810.db2.gz KZGBSDQNWIXDOV-UHFFFAOYSA-N 1 0 278.446 4.122 50 0 CIAARO C[C@H](Cc1ccccc1Sc1ccccc1O)[NH+](C)C ZINC000000347798 567826200 /nfs/dbraw/zinc/82/62/00/567826200.db2.gz IYZPSKNKXWSFJB-CYBMUJFWSA-N 1 0 287.428 4.036 50 0 CIAARO C[C@H]([NH2+]Cc1cccc(Br)c1)c1ccccc1 ZINC000000570994 567833778 /nfs/dbraw/zinc/83/37/78/567833778.db2.gz HQHNBGPDEUQEET-LBPRGKRZSA-N 1 0 290.204 4.300 50 0 CIAARO CC[C@@]1(C)C[C@@](CC[NH2+]Cc2ccco2)(C(C)C)CCO1 ZINC000002109813 567844889 /nfs/dbraw/zinc/84/48/89/567844889.db2.gz BDNLJAUVIBLENP-ROUUACIJSA-N 1 0 293.451 4.381 50 0 CIAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)C1CCCC1 ZINC000002514539 567846145 /nfs/dbraw/zinc/84/61/45/567846145.db2.gz IUHXZTQCGQRVJK-UHFFFAOYSA-N 1 0 271.404 4.045 50 0 CIAARO Cc1cccc(C(=O)c2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000002514992 567846158 /nfs/dbraw/zinc/84/61/58/567846158.db2.gz QSXOWDMSOZCQJX-UHFFFAOYSA-N 1 0 293.410 4.212 50 0 CIAARO Cc1ccc(C(=O)c2cccc(C[NH+]3CCCC3)c2)c(C)c1 ZINC000002515067 567846572 /nfs/dbraw/zinc/84/65/72/567846572.db2.gz NWYZMTPXOFKYNV-UHFFFAOYSA-N 1 0 293.410 4.130 50 0 CIAARO Cc1cccc(C)c1C(=O)c1ccccc1C[NH+]1CCCC1 ZINC000002515565 567846724 /nfs/dbraw/zinc/84/67/24/567846724.db2.gz OLDHVUNNKZODQX-UHFFFAOYSA-N 1 0 293.410 4.130 50 0 CIAARO CCCC[NH2+]Cc1cc(Cl)c(OCCC)c(OCC)c1 ZINC000002863698 567849782 /nfs/dbraw/zinc/84/97/82/567849782.db2.gz MEMHHALMNSZYLI-UHFFFAOYSA-N 1 0 299.842 4.417 50 0 CIAARO C[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000002876752 567849892 /nfs/dbraw/zinc/84/98/92/567849892.db2.gz HRLZTKNKGGCXIH-UHFFFAOYSA-N 1 0 295.357 4.277 50 0 CIAARO CC(C)COc1ccccc1C[NH2+]Cc1ccccc1 ZINC000002881970 567850358 /nfs/dbraw/zinc/85/03/58/567850358.db2.gz XGELHDVITOKAIU-UHFFFAOYSA-N 1 0 269.388 4.011 50 0 CIAARO CCCC[NH2+]CCCCOc1cccc(C(C)C)c1 ZINC000002931519 567850614 /nfs/dbraw/zinc/85/06/14/567850614.db2.gz DPGFEXZYPNWRNY-UHFFFAOYSA-N 1 0 263.425 4.359 50 0 CIAARO CCCC[NH2+]CCCOc1ccc([C@@H](C)CC)cc1 ZINC000003002188 567851366 /nfs/dbraw/zinc/85/13/66/567851366.db2.gz BTHBJCZQGLIASD-HNNXBMFYSA-N 1 0 263.425 4.359 50 0 CIAARO CCCC[N@H+](C)CCCOc1cccc2ccccc21 ZINC000003003237 567851397 /nfs/dbraw/zinc/85/13/97/567851397.db2.gz VSEOAGOWIAUJDS-UHFFFAOYSA-N 1 0 271.404 4.341 50 0 CIAARO O=C(Cc1ccccc1)C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000003845170 567853759 /nfs/dbraw/zinc/85/37/59/567853759.db2.gz MBHWZWUFOCJSHN-SFHVURJKSA-N 1 0 297.398 4.009 50 0 CIAARO CCCCCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000004054445 567854914 /nfs/dbraw/zinc/85/49/14/567854914.db2.gz XXGOTXGIBDXYQM-UHFFFAOYSA-N 1 0 280.843 4.042 50 0 CIAARO Cc1c(C)c(C)c(C[N@H+]2CCC[C@H](C)C2)c(C)c1C ZINC000004322046 567856576 /nfs/dbraw/zinc/85/65/76/567856576.db2.gz QSFWKRLFDMVZAV-LBPRGKRZSA-N 1 0 259.437 4.461 50 0 CIAARO Cc1c(C)c(C)c(C[N@H+]2CCC[C@@H](C)C2)c(C)c1C ZINC000004322048 567856700 /nfs/dbraw/zinc/85/67/00/567856700.db2.gz QSFWKRLFDMVZAV-GFCCVEGCSA-N 1 0 259.437 4.461 50 0 CIAARO CCOc1ccc(Cl)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000004657556 567858947 /nfs/dbraw/zinc/85/89/47/567858947.db2.gz PUQBEVRSDFSQLB-UHFFFAOYSA-N 1 0 293.769 4.168 50 0 CIAARO CCOc1cc(C[NH2+]C(C)C)ccc1OCc1ccccc1 ZINC000010435889 567861335 /nfs/dbraw/zinc/86/13/35/567861335.db2.gz VHJIQAQIGUTDKZ-UHFFFAOYSA-N 1 0 299.414 4.162 50 0 CIAARO CCOc1ccc(C[NH2+]C2CCCCC2)cc1Cl ZINC000010436514 567861662 /nfs/dbraw/zinc/86/16/62/567861662.db2.gz JPOFSONVSDTTJD-UHFFFAOYSA-N 1 0 267.800 4.161 50 0 CIAARO C[C@H](C[N@H+]1Cc2ccccc2O[C@H](C)C1)c1ccccc1 ZINC000012163348 567862274 /nfs/dbraw/zinc/86/22/74/567862274.db2.gz OCQBWRNBWRFFLA-HZPDHXFCSA-N 1 0 281.399 4.073 50 0 CIAARO CC(C)c1c[nH]nc1[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012098398 567862364 /nfs/dbraw/zinc/86/23/64/567862364.db2.gz SFHHVNRILINVRG-MRXNPFEDSA-N 1 0 289.467 4.293 50 0 CIAARO C[C@H](C[N@H+]1Cc2ccccc2O[C@@H](C)C1)c1ccccc1 ZINC000012163351 567862413 /nfs/dbraw/zinc/86/24/13/567862413.db2.gz OCQBWRNBWRFFLA-CVEARBPZSA-N 1 0 281.399 4.073 50 0 CIAARO C[C@@H](CCCC(C)(C)O)CC[NH2+]C1(c2ccccc2)CC1 ZINC000032586946 567863323 /nfs/dbraw/zinc/86/33/23/567863323.db2.gz QZPDYFZYXBWTGI-INIZCTEOSA-N 1 0 289.463 4.233 50 0 CIAARO Cc1scc(CSC(N)=[NH2+])c1-c1ccc(C)cc1 ZINC000012461928 567863682 /nfs/dbraw/zinc/86/36/82/567863682.db2.gz CEMSWPILIWASGS-UHFFFAOYSA-N 1 0 276.430 4.159 50 0 CIAARO Fc1cccc(Cl)c1C[NH2+]CCC1=CCCCC1 ZINC000013717892 567867122 /nfs/dbraw/zinc/86/71/22/567867122.db2.gz FYHDKVMIBIIEHM-UHFFFAOYSA-N 1 0 267.775 4.459 50 0 CIAARO CCC[C@H](C(=O)c1ccc2ccccc2c1)[NH+]1CCCC1 ZINC000013682123 567867178 /nfs/dbraw/zinc/86/71/78/567867178.db2.gz DTNUPBSOODGRKW-GOSISDBHSA-N 1 0 281.399 4.287 50 0 in-vivo CIAARO Cc1cccc(N2CC[NH+]([C@@H](C)c3ccc(F)cc3)CC2)c1 ZINC000032851059 567869580 /nfs/dbraw/zinc/86/95/80/567869580.db2.gz SMJRFRPXYWAQOK-INIZCTEOSA-N 1 0 298.405 4.017 50 0 CIAARO CC[N@H+](Cc1ccccc1)Cc1ccccc1Cl ZINC000004551081 567869734 /nfs/dbraw/zinc/86/97/34/567869734.db2.gz HUMKKYCMMXHFKA-UHFFFAOYSA-N 1 0 259.780 4.362 50 0 CIAARO Cc1oc(-c2cccs2)nc1C[N@H+]1CCCC[C@@H]1C ZINC000015077527 567870362 /nfs/dbraw/zinc/87/03/62/567870362.db2.gz DQCOSIRJDRPUNS-NSHDSACASA-N 1 0 276.405 4.086 50 0 CIAARO CC[NH+](CC)c1ccc(NCCOc2ccccc2)cc1 ZINC000019738532 567878945 /nfs/dbraw/zinc/87/89/45/567878945.db2.gz DTSXWDNQWJERTR-UHFFFAOYSA-N 1 0 284.403 4.024 50 0 CIAARO CCCCC1CCC(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000019803376 567879355 /nfs/dbraw/zinc/87/93/55/567879355.db2.gz DHULKCMALPIPFH-UHFFFAOYSA-N 1 0 288.435 4.080 50 0 CIAARO C[C@H]([NH2+]Cc1ccccc1)c1ccc(Br)cc1 ZINC000019899479 567879778 /nfs/dbraw/zinc/87/97/78/567879778.db2.gz OARFDXOHFLKLRO-LBPRGKRZSA-N 1 0 290.204 4.300 50 0 CIAARO C[NH2+]Cc1cc(F)ccc1Oc1ccc(F)cc1Cl ZINC000037902368 567882394 /nfs/dbraw/zinc/88/23/94/567882394.db2.gz IERWEBWLKPBPPO-UHFFFAOYSA-N 1 0 283.705 4.130 50 0 CIAARO C[N@H+](Cc1nc2ccccc2o1)[C@H]1CCCc2ccccc21 ZINC000027906194 567883662 /nfs/dbraw/zinc/88/36/62/567883662.db2.gz VSUDADHOABRCQT-KRWDZBQOSA-N 1 0 292.382 4.337 50 0 CIAARO c1ccc([C@@H]2CC[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]23)cc1 ZINC000028567674 567884036 /nfs/dbraw/zinc/88/40/36/567884036.db2.gz XOMCRCUXIXQLCN-MGPUTAFESA-N 1 0 288.394 4.255 50 0 CIAARO Cc1ccc(OCCCC[NH2+]C(C)(C)C)c(Cl)c1 ZINC000002932081 567884565 /nfs/dbraw/zinc/88/45/65/567884565.db2.gz UBZIUUMTGUYIKX-UHFFFAOYSA-N 1 0 269.816 4.196 50 0 CIAARO Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2)cc1F ZINC000070160119 567884780 /nfs/dbraw/zinc/88/47/80/567884780.db2.gz JDKNHBSQXOKESP-UHFFFAOYSA-N 1 0 263.743 4.077 50 0 CIAARO Cc1ccc(C[NH2+]Cc2ccc(OC(C)C)cc2)cc1 ZINC000032117867 567885911 /nfs/dbraw/zinc/88/59/11/567885911.db2.gz UXEBLQIXPYONNY-UHFFFAOYSA-N 1 0 269.388 4.072 50 0 CIAARO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000038002182 567890198 /nfs/dbraw/zinc/89/01/98/567890198.db2.gz QYIXTDJWYWYQCC-RKDXNWHRSA-N 1 0 276.243 4.206 50 0 CIAARO CC(C)CC[NH2+]Cc1cc(Cl)ccc1OC(C)C ZINC000040730437 567890888 /nfs/dbraw/zinc/89/08/88/567890888.db2.gz FPPWKPXNLUKWKH-UHFFFAOYSA-N 1 0 269.816 4.263 50 0 CIAARO CC(C)(C)c1cc(Cl)ccc1OCCC1CC[NH2+]CC1 ZINC000042771029 567891585 /nfs/dbraw/zinc/89/15/85/567891585.db2.gz LUFSOVDMOQZXFF-UHFFFAOYSA-N 1 0 295.854 4.406 50 0 CIAARO CC(C)(C)CC(C)(C)c1ccc(OC[C@H]2CC[NH2+]C2)cc1 ZINC000042773173 567891675 /nfs/dbraw/zinc/89/16/75/567891675.db2.gz TYNMCSOYRBMRAL-HNNXBMFYSA-N 1 0 289.463 4.389 50 0 CIAARO CC[C@H](C)c1cc(Cl)ccc1OC[C@@H]1CCC[NH2+]C1 ZINC000042775412 567892001 /nfs/dbraw/zinc/89/20/01/567892001.db2.gz DHJYVAMVKRJPMS-QWHCGFSZSA-N 1 0 281.827 4.232 50 0 CIAARO CC[C@H](C)c1ccc(OC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775072 567892078 /nfs/dbraw/zinc/89/20/78/567892078.db2.gz LRLSKFFTAWXGSJ-STQMWFEESA-N 1 0 281.827 4.232 50 0 CIAARO CC[C@H](C)c1cc(Cl)ccc1OC[C@H]1CCC[NH2+]C1 ZINC000042775421 567892139 /nfs/dbraw/zinc/89/21/39/567892139.db2.gz DHJYVAMVKRJPMS-STQMWFEESA-N 1 0 281.827 4.232 50 0 CIAARO O=C(c1ccccc1C[NH+]1CCCCC1)C1CCCC1 ZINC000043211543 567892363 /nfs/dbraw/zinc/89/23/63/567892363.db2.gz MKFOWKYMNPSRGA-UHFFFAOYSA-N 1 0 271.404 4.045 50 0 CIAARO O=C1CCC([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000059268997 567896532 /nfs/dbraw/zinc/89/65/32/567896532.db2.gz ZDHRRHRWHFBMQV-UHFFFAOYSA-N 1 0 293.410 4.201 50 0 CIAARO CC(C)c1cc([C@@H]2CCCN2Cc2cccc(F)c2)on1 ZINC000064667058 567897822 /nfs/dbraw/zinc/89/78/22/567897822.db2.gz BOBXJBXJJQBEEY-INIZCTEOSA-N 1 0 288.366 4.274 50 0 CIAARO CC(C)c1cc([C@H]2CCCN2Cc2ccccc2F)on1 ZINC000064667120 567898103 /nfs/dbraw/zinc/89/81/03/567898103.db2.gz PUBRSDXXERNAPE-MRXNPFEDSA-N 1 0 288.366 4.274 50 0 CIAARO C[C@H](c1ccc(-c2ncccc2O)cc1)[NH+]1CCCCC1 ZINC000065408151 567898977 /nfs/dbraw/zinc/89/89/77/567898977.db2.gz DHVYAGKAXOTIJF-CQSZACIVSA-N 1 0 282.387 4.001 50 0 CIAARO C[C@H]1[C@H](c2ccccc2)c2c(c3ccccc3n2C)C[N@@H+]1C ZINC000068605826 567901115 /nfs/dbraw/zinc/90/11/15/567901115.db2.gz NHKUQXJCMOQRAU-IFXJQAMLSA-N 1 0 290.410 4.144 50 0 CIAARO Cc1ccsc1-c1nc(C[N@H+]2CCC[C@H]2C)c(C)o1 ZINC000067921842 567901122 /nfs/dbraw/zinc/90/11/22/567901122.db2.gz SJBNWLVDKYJVHY-LLVKDONJSA-N 1 0 276.405 4.004 50 0 CIAARO Cn1c(-c2cccc(Cl)c2)c[nH+]c1NCc1ccccc1 ZINC000004678720 567901453 /nfs/dbraw/zinc/90/14/53/567901453.db2.gz DZCGYNNRDBQUEG-UHFFFAOYSA-N 1 0 297.789 4.353 50 0 CIAARO Cc1ccc(CNc2[nH+]cc(-c3ccc(C)cc3)n2C)cc1 ZINC000004678362 567901465 /nfs/dbraw/zinc/90/14/65/567901465.db2.gz JJZBDEMRYQPSSY-UHFFFAOYSA-N 1 0 291.398 4.316 50 0 CIAARO C[C@H]1CC(=C(c2ccccc2)c2ccccc2)C[N@@H+]1C ZINC000071772302 567902038 /nfs/dbraw/zinc/90/20/38/567902038.db2.gz LWESAKMGWPISLC-HNNXBMFYSA-N 1 0 263.384 4.213 50 0 CIAARO CCC(CC)[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC000098072200 567907577 /nfs/dbraw/zinc/90/75/77/567907577.db2.gz FUFUTZDCERGWOH-UHFFFAOYSA-N 1 0 274.433 4.397 50 0 CIAARO Cc1cc(C)c2[nH+]c(C)cc(NCc3ccco3)c2c1 ZINC000000071974 567907612 /nfs/dbraw/zinc/90/76/12/567907612.db2.gz NHJBZQGTLPKFPF-UHFFFAOYSA-N 1 0 266.344 4.365 50 0 CIAARO CO[C@H](C)c1cccc(-c2cccc3c(N)cc[nH+]c32)c1 ZINC000096165153 567909849 /nfs/dbraw/zinc/90/98/49/567909849.db2.gz ZDIRZIREUAWZPB-GFCCVEGCSA-N 1 0 278.355 4.191 50 0 CIAARO CCCC[C@H](CC)COCC[NH+](C(C)C)C(C)C ZINC000096180978 567910048 /nfs/dbraw/zinc/91/00/48/567910048.db2.gz ZIILPLXBYOAMEO-INIZCTEOSA-N 1 0 257.462 4.338 50 0 CIAARO c1ccc2c(c1)[nH]c1c2CC[N@H+]2CC[C@@H]3CCCC[C@@H]3[C@@H]12 ZINC000101363677 567914788 /nfs/dbraw/zinc/91/47/88/567914788.db2.gz UVFKPZSECULWBR-NJSLBKSFSA-N 1 0 280.415 4.277 50 0 CIAARO Cc1ccccc1[C@@H](c1c(C)cccc1C)[NH+](C)C ZINC000033389808 567915752 /nfs/dbraw/zinc/91/57/52/567915752.db2.gz PXJKLKHEUDUMFZ-SFHVURJKSA-N 1 0 253.389 4.263 50 0 CIAARO Cc1ccc2[nH+]c(C)cc(NCc3ccccc3)c2c1 ZINC000000120785 567923214 /nfs/dbraw/zinc/92/32/14/567923214.db2.gz YJBWWFHPXSSUQO-UHFFFAOYSA-N 1 0 262.356 4.464 50 0 CIAARO COc1ccccc1C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000061011901 567927379 /nfs/dbraw/zinc/92/73/79/567927379.db2.gz CGSFXJQDMVYZQK-YQQAZPJKSA-N 1 0 273.420 4.144 50 0 CIAARO CCC[C@H](C)[NH2+]CC(=O)Nc1ccccc1-c1ccccc1 ZINC000002649608 567932079 /nfs/dbraw/zinc/93/20/79/567932079.db2.gz DXOPOLOLCPXACJ-HNNXBMFYSA-N 1 0 296.414 4.070 50 0 CIAARO COc1ccc(CC[C@H](C)[NH2+][C@H]2CCCC[C@H]2C)cc1 ZINC000004022949 567938132 /nfs/dbraw/zinc/93/81/32/567938132.db2.gz YYMKRIBXWAIABL-VKJFTORMSA-N 1 0 275.436 4.185 50 0 CIAARO C[C@@H](C[NH2+]C1C2CC3CC(C2)CC1C3)c1ccccc1 ZINC000010436596 567939643 /nfs/dbraw/zinc/93/96/43/567939643.db2.gz IYSFGVDSAMJEDU-SSAIOAENSA-N 1 0 269.432 4.204 50 0 CIAARO CCOc1ccccc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000013721016 567942209 /nfs/dbraw/zinc/94/22/09/567942209.db2.gz CQKOGMBDOQZKHV-UHFFFAOYSA-N 1 0 289.806 4.071 50 0 CIAARO Clc1ccc(CC[NH2+]Cc2ccccc2)c(Cl)c1 ZINC000013722731 567942238 /nfs/dbraw/zinc/94/22/38/567942238.db2.gz NBSUNQSNJMHMCY-UHFFFAOYSA-N 1 0 280.198 4.326 50 0 CIAARO C[C@H](CCc1ccccc1)[NH2+]Cc1ccccc1Cl ZINC000013726232 567942257 /nfs/dbraw/zinc/94/22/57/567942257.db2.gz FRZLBSQMDWNQMS-CQSZACIVSA-N 1 0 273.807 4.451 50 0 CIAARO CO[C@H]1CC[N@H+](Cc2ccc(C3CCCCC3)s2)C1 ZINC000215935618 567947388 /nfs/dbraw/zinc/94/73/88/567947388.db2.gz WJQNDPXHCOVKHE-AWEZNQCLSA-N 1 0 279.449 4.017 50 0 CIAARO FC1(F)CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000215968981 567947366 /nfs/dbraw/zinc/94/73/66/567947366.db2.gz ALLLFLKGGBKMND-UHFFFAOYSA-N 1 0 295.373 4.239 50 0 CIAARO Cc1ccc(-c2ccccc2C[NH+]2CCC(F)(F)CC2)o1 ZINC000216217389 567947730 /nfs/dbraw/zinc/94/77/30/567947730.db2.gz POICBDRYBGJKBO-UHFFFAOYSA-N 1 0 291.341 4.486 50 0 CIAARO CC1CC[NH+](Cc2cc3ccccc3c(Cl)n2)CC1 ZINC000225572743 567954134 /nfs/dbraw/zinc/95/41/34/567954134.db2.gz CZUBJPOESJWSAR-UHFFFAOYSA-N 1 0 274.795 4.120 50 0 CIAARO Cc1ccccc1COc1ccccc1C[NH2+]C(C)C ZINC000032117714 567955735 /nfs/dbraw/zinc/95/57/35/567955735.db2.gz SLIWYLHPCWBWQB-UHFFFAOYSA-N 1 0 269.388 4.072 50 0 CIAARO c1ccc(C(c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000001555279 567955895 /nfs/dbraw/zinc/95/58/95/567955895.db2.gz LLOQMFDCQPKSFB-UHFFFAOYSA-N 1 0 251.373 4.262 50 0 CIAARO CC(C)CCn1c2ccccc2nc1C[NH+]1CCCCCC1 ZINC000011692526 570220255 /nfs/dbraw/zinc/22/02/55/570220255.db2.gz QJTDGLZBJUWYBL-UHFFFAOYSA-N 1 0 299.462 4.458 50 0 CIAARO C[C@H](c1ccco1)[N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055371204 570242942 /nfs/dbraw/zinc/24/29/42/570242942.db2.gz GEMLDFIWEBCMBG-GFCCVEGCSA-N 1 0 299.349 4.002 50 0 CIAARO CC[C@H](C)c1c(-c2ccccc2)ncn1CCCCC[NH3+] ZINC000065531599 570244335 /nfs/dbraw/zinc/24/43/35/570244335.db2.gz HUVZYFFCYNXRSL-HNNXBMFYSA-N 1 0 285.435 4.193 50 0 CIAARO C/C(=C\c1ccccc1)C[N@@H+](C)[C@H](C)c1c(C)n[nH]c1C ZINC000067432871 570246357 /nfs/dbraw/zinc/24/63/57/570246357.db2.gz LHQPBKGTXKPQGK-SICOMBFOSA-N 1 0 283.419 4.123 50 0 CIAARO Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000078938658 570272968 /nfs/dbraw/zinc/27/29/68/570272968.db2.gz UZHVMMYTMPFKFL-MOPGFXCFSA-N 1 0 299.389 4.005 50 0 CIAARO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(C(C)C)cc2)on1 ZINC000047273587 570291660 /nfs/dbraw/zinc/29/16/60/570291660.db2.gz 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ZINC000004844256 170028923 /nfs/dbraw/zinc/02/89/23/170028923.db2.gz JMJXENQKDFZYSX-UHFFFAOYSA-N 1 0 291.435 4.026 50 0 CIAARO CC(C)(C)c1cc(Cl)ccc1OCC[NH+]1CCCC1 ZINC000004845327 170029795 /nfs/dbraw/zinc/02/97/95/170029795.db2.gz KOLGWAUNTZLPDV-UHFFFAOYSA-N 1 0 281.827 4.112 50 0 CIAARO Cc1cccc2cc(C[NH2+]Cc3ccccc3)c(Cl)nc12 ZINC000004861347 170032237 /nfs/dbraw/zinc/03/22/37/170032237.db2.gz KSBROIBBHDEIFA-UHFFFAOYSA-N 1 0 296.801 4.486 50 0 CIAARO Cc1[nH]c2cc(C)ccc2c1C(=O)C[N@@H+]1CCCC(C)(C)C1 ZINC000004871830 170034650 /nfs/dbraw/zinc/03/46/50/170034650.db2.gz KYVJJQLUMWVHMU-UHFFFAOYSA-N 1 0 298.430 4.089 50 0 CIAARO Cc1cc(C)c(OCC[N@H+]2CCC[C@@H](C)C2)c(Cl)c1 ZINC000004885432 170036472 /nfs/dbraw/zinc/03/64/72/170036472.db2.gz OCHJQTFQKMOYPN-GFCCVEGCSA-N 1 0 281.827 4.068 50 0 CIAARO CCc1cc(OCC[N@@H+]2CCC[C@@H](C)C2)ccc1Cl ZINC000004913985 170040351 /nfs/dbraw/zinc/04/03/51/170040351.db2.gz QFXFRLNKNUFHEW-CYBMUJFWSA-N 1 0 281.827 4.013 50 0 CIAARO C[C@H](O)c1ccc(-c2ccc(C[NH2+]C3CCCC3)o2)cc1 ZINC000004942985 170043643 /nfs/dbraw/zinc/04/36/43/170043643.db2.gz STOQAWOHKIGGRQ-ZDUSSCGKSA-N 1 0 285.387 4.032 50 0 CIAARO COc1ccc(CC[C@@H](C)[NH2+]C[C@@H](C)c2ccccc2)cc1 ZINC000004989301 170049772 /nfs/dbraw/zinc/04/97/72/170049772.db2.gz NUTGYDWYUOWFIB-IAGOWNOFSA-N 1 0 297.442 4.410 50 0 CIAARO COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)c2ccccc2)cc1 ZINC000004989190 170049794 /nfs/dbraw/zinc/04/97/94/170049794.db2.gz YOCAPZFWIBUVBR-CVEARBPZSA-N 1 0 283.415 4.020 50 0 CIAARO Brc1cccc(C[NH+]2CCCCCCC2)c1 ZINC000004990149 170050826 /nfs/dbraw/zinc/05/08/26/170050826.db2.gz OWRAXNWGGLKBEZ-UHFFFAOYSA-N 1 0 282.225 4.215 50 0 CIAARO COc1ccccc1C[NH2+]Cc1ccccc1C(F)(F)F ZINC000004996783 170052039 /nfs/dbraw/zinc/05/20/39/170052039.db2.gz CSUHDGAPKMYVHY-UHFFFAOYSA-N 1 0 295.304 4.004 50 0 CIAARO COc1cc(C)c(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1C ZINC000004997060 170052355 /nfs/dbraw/zinc/05/23/55/170052355.db2.gz PPPDAWJCQYWOTP-UHFFFAOYSA-N 1 0 299.458 4.226 50 0 CIAARO Cc1ccc(OCC[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c(C)c1 ZINC000005013702 170055838 /nfs/dbraw/zinc/05/58/38/170055838.db2.gz AEZWPUKAYATQGE-HYVNUMGLSA-N 1 0 275.436 4.097 50 0 CIAARO Cc1ccc(O[C@H](C)CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000005752695 170136894 /nfs/dbraw/zinc/13/68/94/170136894.db2.gz UVBPQXGSUGLCCF-DLBZAZTESA-N 1 0 275.436 4.417 50 0 CIAARO CC[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000005907927 170153711 /nfs/dbraw/zinc/15/37/11/170153711.db2.gz NDQFYTAWDJPGQB-HNNXBMFYSA-N 1 0 269.388 4.154 50 0 CIAARO CC[C@H](C)[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000005907934 170153734 /nfs/dbraw/zinc/15/37/34/170153734.db2.gz QQJWSUMMWQODIC-AWEZNQCLSA-N 1 0 287.378 4.293 50 0 CIAARO Cc1cc(Nc2ccc3c(c2)OCCO3)c2ccccc2[nH+]1 ZINC000006043955 170171382 /nfs/dbraw/zinc/17/13/82/170171382.db2.gz IWJQARJGONOIHY-UHFFFAOYSA-N 1 0 292.338 4.058 50 0 CIAARO CCc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006356209 170195210 /nfs/dbraw/zinc/19/52/10/170195210.db2.gz CSXVZGAGIIPBQB-UHFFFAOYSA-N 1 0 269.432 4.307 50 0 CIAARO Cc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)s1 ZINC000006478458 170204357 /nfs/dbraw/zinc/20/43/57/170204357.db2.gz ZWQWANWMPZCDJR-UHFFFAOYSA-N 1 0 261.434 4.115 50 0 CIAARO COc1ccc2ccccc2c1C[NH2+]C1CCCCC1 ZINC000006647305 170221717 /nfs/dbraw/zinc/22/17/17/170221717.db2.gz LQHHSLDSFLTUIC-UHFFFAOYSA-N 1 0 269.388 4.271 50 0 CIAARO COc1ccc(CC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000006667601 170224122 /nfs/dbraw/zinc/22/41/22/170224122.db2.gz VDYGGVFOPQAMIV-MRXNPFEDSA-N 1 0 295.426 4.075 50 0 CIAARO CC[N@H+](Cc1ccncc1)Cc1ccc(C(C)C)cc1 ZINC000006711218 170231244 /nfs/dbraw/zinc/23/12/44/170231244.db2.gz JHZMLJBPHAGTLX-UHFFFAOYSA-N 1 0 268.404 4.227 50 0 CIAARO Clc1ccccc1-c1ccc(C[NH2+]Cc2cccnc2)o1 ZINC000006715979 170232099 /nfs/dbraw/zinc/23/20/99/170232099.db2.gz JYHVZOSTCPCVQP-UHFFFAOYSA-N 1 0 298.773 4.285 50 0 CIAARO CC[N@@H+]1Cc2cccc(CNc3cc(C)cc(C)c3)c2C1 ZINC000006803903 170245276 /nfs/dbraw/zinc/24/52/76/170245276.db2.gz UPYQYJVQXRCOKM-UHFFFAOYSA-N 1 0 280.415 4.251 50 0 CIAARO COc1cc(C[NH2+]C(C)(C)C)ccc1OCc1ccccc1 ZINC000006882549 170252408 /nfs/dbraw/zinc/25/24/08/170252408.db2.gz YPEKBVSZOWOOJB-UHFFFAOYSA-N 1 0 299.414 4.162 50 0 CIAARO CC(C)(C)[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000006882605 170252691 /nfs/dbraw/zinc/25/26/91/170252691.db2.gz CGXWOFMIFBMDIC-UHFFFAOYSA-N 1 0 287.378 4.293 50 0 CIAARO CCCCCC[NH2+]Cc1cc(Cl)ccc1OCC ZINC000007260990 170273817 /nfs/dbraw/zinc/27/38/17/170273817.db2.gz CZNDBDHRWOICHY-UHFFFAOYSA-N 1 0 269.816 4.409 50 0 CIAARO CCCC[NH2+]Cc1c(OCC)ccc2ccccc21 ZINC000007261611 170274012 /nfs/dbraw/zinc/27/40/12/170274012.db2.gz GDCXOTYRIIQLNB-UHFFFAOYSA-N 1 0 257.377 4.128 50 0 CIAARO CCC[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000007262386 170274424 /nfs/dbraw/zinc/27/44/24/170274424.db2.gz AXIGOPBQGJCJPP-UHFFFAOYSA-N 1 0 267.731 4.239 50 0 CIAARO CC[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000007524722 170288833 /nfs/dbraw/zinc/28/88/33/170288833.db2.gz JWGHOXMWZFXHOW-UHFFFAOYSA-N 1 0 270.159 4.363 50 0 CIAARO Fc1ccc(-c2ccc(C[NH2+]C3CCCC3)o2)cc1 ZINC000007524374 170288849 /nfs/dbraw/zinc/28/88/49/170288849.db2.gz SHNLQCQCRWFCKI-UHFFFAOYSA-N 1 0 259.324 4.118 50 0 CIAARO CCOc1cc(C[NH2+]C2CCCCCCC2)ccc1OC ZINC000007523457 170288897 /nfs/dbraw/zinc/28/88/97/170288897.db2.gz ZHNDDIXQWTYMSZ-UHFFFAOYSA-N 1 0 291.435 4.296 50 0 CIAARO CCOc1ccc(C[NH2+]Cc2ccc(C)cc2)cc1OCC ZINC000007538060 170290074 /nfs/dbraw/zinc/29/00/74/170290074.db2.gz JIRRALQWRNIZMT-UHFFFAOYSA-N 1 0 299.414 4.082 50 0 CIAARO Cc1cc(NCc2cccnc2)c2cc(Cl)ccc2[nH+]1 ZINC000007997077 170313288 /nfs/dbraw/zinc/31/32/88/170313288.db2.gz BSCQKZIARYVEND-UHFFFAOYSA-N 1 0 283.762 4.204 50 0 CIAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+]C(C)(C)C ZINC000008253404 170327140 /nfs/dbraw/zinc/32/71/40/170327140.db2.gz DYHVYEVCEAXOGW-UHFFFAOYSA-N 1 0 276.207 4.280 50 0 CIAARO CCOc1ccc(Cl)cc1C[NH2+]C1CCCCC1 ZINC000008324498 170331164 /nfs/dbraw/zinc/33/11/64/170331164.db2.gz YJQDUUIMQBTOJJ-UHFFFAOYSA-N 1 0 267.800 4.161 50 0 CIAARO CCOc1ccc2ccccc2c1C[NH2+]C(C)(C)C ZINC000008325058 170331342 /nfs/dbraw/zinc/33/13/42/170331342.db2.gz VXEAUOWHKXCFLB-UHFFFAOYSA-N 1 0 257.377 4.127 50 0 CIAARO Cc1cc(C)c2[nH]c(C)c(C[NH+]3CCCCCC3)c(=O)c2c1 ZINC000008714101 170348506 /nfs/dbraw/zinc/34/85/06/170348506.db2.gz HFAWBSXRZUDLSR-UHFFFAOYSA-N 1 0 298.430 4.242 50 0 CIAARO Cc1cc(C)c2[nH]c(C)c(C[N@H+]3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000008714106 170348527 /nfs/dbraw/zinc/34/85/27/170348527.db2.gz NDIDAJITJGQMNJ-GFCCVEGCSA-N 1 0 298.430 4.098 50 0 CIAARO Cc1ccc2[nH]cc([C@H](C[NH3+])c3ccc(Cl)cc3)c2c1 ZINC000011919676 170458725 /nfs/dbraw/zinc/45/87/25/170458725.db2.gz CJALMJLKHPTRRT-OAHLLOKOSA-N 1 0 284.790 4.220 50 0 CIAARO CC(C)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000013724090 170582079 /nfs/dbraw/zinc/58/20/79/170582079.db2.gz JIHVJSUBNTURRY-UHFFFAOYSA-N 1 0 283.415 4.401 50 0 CIAARO Cc1ccc(O[C@@H](C)C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000019737854 170850753 /nfs/dbraw/zinc/85/07/53/170850753.db2.gz JOKLUPQCOGAYQO-JKSUJKDBSA-N 1 0 269.388 4.113 50 0 CIAARO C[NH2+]Cc1ccccc1OCc1c(Cl)cccc1Cl ZINC000019777227 170860727 /nfs/dbraw/zinc/86/07/27/170860727.db2.gz HRJVEOZOWWVSEQ-UHFFFAOYSA-N 1 0 296.197 4.292 50 0 CIAARO CCC(C)(C)c1ccc(OCCC2CC[NH2+]CC2)cc1 ZINC000020593600 171263173 /nfs/dbraw/zinc/26/31/73/171263173.db2.gz POFRFNBHINATQJ-UHFFFAOYSA-N 1 0 275.436 4.143 50 0 CIAARO CC[C@@H](C)[NH2+]Cc1cccc(OCc2ccc(C)cc2)c1 ZINC000020874468 171277114 /nfs/dbraw/zinc/27/71/14/171277114.db2.gz NZIQEBQBGVXUIB-MRXNPFEDSA-N 1 0 283.415 4.462 50 0 CIAARO CC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000020875122 171277321 /nfs/dbraw/zinc/27/73/21/171277321.db2.gz WEMWKDLVGBEKSG-UHFFFAOYSA-N 1 0 289.806 4.337 50 0 CIAARO COc1c(Cl)cc(C[NH2+]C2CCCCC2)cc1Cl ZINC000020928220 171280331 /nfs/dbraw/zinc/28/03/31/171280331.db2.gz VURWUVGWKCPGBL-UHFFFAOYSA-N 1 0 288.218 4.424 50 0 CIAARO CCC[NH2+]Cc1cc(Cl)c(OCCC)c(OCC)c1 ZINC000020931926 171280900 /nfs/dbraw/zinc/28/09/00/171280900.db2.gz MROQQGSPCUJNIX-UHFFFAOYSA-N 1 0 285.815 4.027 50 0 CIAARO CCCOc1ccc(C[NH2+]CCC(C)C)cc1OCC ZINC000020933548 171280903 /nfs/dbraw/zinc/28/09/03/171280903.db2.gz SAMBOBBBWLCJLC-UHFFFAOYSA-N 1 0 279.424 4.010 50 0 CIAARO CCCOc1ccc(C[NH2+]C(C)(C)CC)cc1OCC ZINC000020933554 171281027 /nfs/dbraw/zinc/28/10/27/171281027.db2.gz DIKPJFUXUOIACK-UHFFFAOYSA-N 1 0 279.424 4.152 50 0 CIAARO CCCCC[NH2+]Cc1ccc(OCCC)c(OCC)c1 ZINC000020933284 171281139 /nfs/dbraw/zinc/28/11/39/171281139.db2.gz PBRIUHNZYAVTBA-UHFFFAOYSA-N 1 0 279.424 4.154 50 0 CIAARO CCn1cc(C[NH2+]Cc2ccc(C)cc2)c2ccccc21 ZINC000020935218 171281735 /nfs/dbraw/zinc/28/17/35/171281735.db2.gz OQJVJIKASDATDW-UHFFFAOYSA-N 1 0 278.399 4.259 50 0 CIAARO Clc1ccc(C[NH2+]CCc2ccccc2)cc1Cl ZINC000021011840 171287526 /nfs/dbraw/zinc/28/75/26/171287526.db2.gz SKZLXAQIIJTTGL-UHFFFAOYSA-N 1 0 280.198 4.326 50 0 CIAARO C[C@@H]1c2cccn2CC[N@H+]1Cc1cccc2ccccc21 ZINC000021579352 171317025 /nfs/dbraw/zinc/31/70/25/171317025.db2.gz GIFHONHHXVOEJK-OAHLLOKOSA-N 1 0 276.383 4.218 50 0 CIAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1ccccc1Cl ZINC000021720706 171320264 /nfs/dbraw/zinc/32/02/64/171320264.db2.gz JDVXLPAPIVYZBP-OAHLLOKOSA-N 1 0 290.794 4.282 50 0 CIAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1C ZINC000021719807 171320587 /nfs/dbraw/zinc/32/05/87/171320587.db2.gz LNIJQMWYYBXZTA-QGZVFWFLSA-N 1 0 284.403 4.245 50 0 CIAARO Fc1ccccc1-c1ccc(C[NH2+]CCc2ccccc2)o1 ZINC000022076479 171352617 /nfs/dbraw/zinc/35/26/17/171352617.db2.gz NOMFNFNBTZWVSY-UHFFFAOYSA-N 1 0 295.357 4.418 50 0 CIAARO C[C@@H]1CCCC[N@@H+]1Cc1cncc(-c2cccc(F)c2)c1 ZINC000037279022 173088024 /nfs/dbraw/zinc/08/80/24/173088024.db2.gz GSUJKIAPZXIBJQ-CQSZACIVSA-N 1 0 284.378 4.262 50 0 CIAARO CCOc1cccc(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)c1 ZINC000037505668 173240603 /nfs/dbraw/zinc/24/06/03/173240603.db2.gz HGOCTQLFKYZQJE-GUYCJALGSA-N 1 0 285.387 4.092 50 0 CIAARO CC(C)CC[N@@H+]1CCCn2cccc2[C@H]1c1ccccc1 ZINC000037522637 173250515 /nfs/dbraw/zinc/25/05/15/173250515.db2.gz REWMOKVQQSITEN-LJQANCHMSA-N 1 0 282.431 4.329 50 0 CIAARO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccc2ccccc2c1 ZINC000038095456 174108752 /nfs/dbraw/zinc/10/87/52/174108752.db2.gz ZLFKVPNSTQOQNM-KSSFIOAISA-N 1 0 269.388 4.060 50 0 CIAARO COc1cc(Cl)cc(C[NH2+]C2CCCCCC2)c1OC ZINC000040722137 174385218 /nfs/dbraw/zinc/38/52/18/174385218.db2.gz PBIUFIXVAPXSDX-UHFFFAOYSA-N 1 0 297.826 4.170 50 0 CIAARO CC[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1OC(C)C ZINC000040728331 174387910 /nfs/dbraw/zinc/38/79/10/174387910.db2.gz BNSDGWILXCVTHX-NSHDSACASA-N 1 0 285.815 4.024 50 0 CIAARO COc1cc(C[NH2+]CCC(C)C)cc(Cl)c1OC(C)C ZINC000040729475 174388232 /nfs/dbraw/zinc/38/82/32/174388232.db2.gz FPPSKXGUPSAAFA-UHFFFAOYSA-N 1 0 299.842 4.272 50 0 CIAARO CCOc1cc(C[NH2+][C@H](C)CC)cc(Cl)c1OC(C)C ZINC000040729227 174388303 /nfs/dbraw/zinc/38/83/03/174388303.db2.gz POAWUWCSCVATSY-GFCCVEGCSA-N 1 0 299.842 4.414 50 0 CIAARO CC[C@@H](C)[NH2+]Cc1ccccc1OCc1ccccc1C ZINC000040731601 174388600 /nfs/dbraw/zinc/38/86/00/174388600.db2.gz SWFFDARFFSKVCC-MRXNPFEDSA-N 1 0 283.415 4.462 50 0 CIAARO CC[C@@H](C)[NH2+]Cc1cccc(OCc2ccccc2C)c1 ZINC000040738288 174390058 /nfs/dbraw/zinc/39/00/58/174390058.db2.gz PSUALFRDCSYFNP-MRXNPFEDSA-N 1 0 283.415 4.462 50 0 CIAARO CC[C@H](C)c1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000042773234 174872570 /nfs/dbraw/zinc/87/25/70/174872570.db2.gz BGXGQXGRHZPQFV-HOCLYGCPSA-N 1 0 261.409 4.111 50 0 CIAARO CC[C@@H](C)c1ccc(OCC2CC[NH2+]CC2)c(Cl)c1 ZINC000042775076 174873749 /nfs/dbraw/zinc/87/37/49/174873749.db2.gz QTEHUYQWZMIRTF-GFCCVEGCSA-N 1 0 281.827 4.232 50 0 CIAARO Cc1cc(C)c([C@@H](N)[C@@H]([NH3+])c2c(C)cc(C)cc2C)c(C)c1 ZINC000044075606 175140832 /nfs/dbraw/zinc/14/08/32/175140832.db2.gz ILMRHFMYIXTNMC-BGYRXZFFSA-N 1 0 296.458 4.237 50 0 CIAARO CCCn1cc(C[NH2+]Cc2cccs2)c2ccccc21 ZINC000045945210 175388139 /nfs/dbraw/zinc/38/81/39/175388139.db2.gz LLAHWESWDGGZHY-UHFFFAOYSA-N 1 0 284.428 4.403 50 0 CIAARO C[C@@H]([NH2+]CC1CCOCC1)c1ccc(Cl)cc1Cl ZINC000052171859 175533533 /nfs/dbraw/zinc/53/35/33/175533533.db2.gz YPNRTMIZVOKIMX-SNVBAGLBSA-N 1 0 288.218 4.071 50 0 CIAARO C[NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000057353172 175594139 /nfs/dbraw/zinc/59/41/39/175594139.db2.gz PCHGPYKASOPDGM-UHFFFAOYSA-N 1 0 284.790 4.062 50 0 CIAARO Cc1cccc(Cn2cc(C[NH2+]C3CC3)c3ccccc32)c1 ZINC000057353157 175594143 /nfs/dbraw/zinc/59/41/43/175594143.db2.gz XLTJFZISFRWTIM-UHFFFAOYSA-N 1 0 290.410 4.250 50 0 CIAARO CN1CCC([NH2+][C@H](c2cccs2)C2CCCCC2)CC1 ZINC000065489171 175742348 /nfs/dbraw/zinc/74/23/48/175742348.db2.gz ZTLZZXXCJRDECQ-KRWDZBQOSA-N 1 0 292.492 4.053 50 0 CIAARO CC[C@@H](C)[N@H+](Cc1ccsc1)Cc1cccc(C)n1 ZINC000071759414 176261099 /nfs/dbraw/zinc/26/10/99/176261099.db2.gz NDEJEARXRDGXHJ-CQSZACIVSA-N 1 0 274.433 4.252 50 0 CIAARO CCOc1cccc(C[NH2+][C@@H]2CCCc3ccccc32)c1 ZINC000037678368 260115432 /nfs/dbraw/zinc/11/54/32/260115432.db2.gz BBEJVYFRUOFJTK-LJQANCHMSA-N 1 0 281.399 4.253 50 0 CIAARO c1ccc2c(c1)-c1ccccc1C2C[NH+]1CCCCC1 ZINC000039310831 260172512 /nfs/dbraw/zinc/17/25/12/260172512.db2.gz DAYKWVVEINTEQW-UHFFFAOYSA-N 1 0 263.384 4.285 50 0 CIAARO CC(C)n1ccc(C[NH2+][C@@H](c2cccs2)C(C)(C)C)n1 ZINC000071909863 260274470 /nfs/dbraw/zinc/27/44/70/260274470.db2.gz UKTWCLCFBNKNFL-HNNXBMFYSA-N 1 0 291.464 4.403 50 0 CIAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccccc1Cl ZINC000019908283 262204386 /nfs/dbraw/zinc/20/43/86/262204386.db2.gz KGPFZQCPKMYXBM-ZDUSSCGKSA-N 1 0 289.806 4.157 50 0 CIAARO Cc1ccccc1C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000096027760 265326430 /nfs/dbraw/zinc/32/64/30/265326430.db2.gz RUNPWCUCWVUEPS-IBGZPJMESA-N 1 0 281.399 4.038 50 0 CIAARO C[C@@H](c1ccc(-c2ccc3[nH]cnc3c2)cc1)[NH+]1CCCC1 ZINC000534588343 328316659 /nfs/dbraw/zinc/31/66/59/328316659.db2.gz PKUNBJADHIRECU-AWEZNQCLSA-N 1 0 291.398 4.387 50 0 CIAARO COC(C)(C)C[C@@H](C)[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000534670394 328347006 /nfs/dbraw/zinc/34/70/06/328347006.db2.gz KITZQDXTNRVABH-GFCCVEGCSA-N 1 0 281.827 4.122 50 0 CIAARO Clc1ccccc1COc1cccc(C[NH2+]C2CC2)c1 ZINC000016450038 526988971 /nfs/dbraw/zinc/98/89/71/526988971.db2.gz RONUTQDQQXCNAP-UHFFFAOYSA-N 1 0 287.790 4.171 50 0 CIAARO CC[C@H](C)[NH2+]CCCOc1c(C)cc(Cl)cc1Cl ZINC000002821851 567849419 /nfs/dbraw/zinc/84/94/19/567849419.db2.gz HYMIEBAPNMLUMN-NSHDSACASA-N 1 0 290.234 4.459 50 0 CIAARO Cc1cccc(C(C)(C)C)c1OCCC[NH+]1CCCC1 ZINC000003003432 567851350 /nfs/dbraw/zinc/85/13/50/567851350.db2.gz SFYYXRYHCGENPA-UHFFFAOYSA-N 1 0 275.436 4.157 50 0 CIAARO C[C@H](CCc1ccccc1)[NH2+][C@H](C)Cc1ccccc1 ZINC000062169714 566822240 /nfs/dbraw/zinc/82/22/40/566822240.db2.gz GDDSUMJFPAHCRT-IAGOWNOFSA-N 1 0 267.416 4.229 50 0 CIAARO COc1ccc([C@H](CC[NH2+]Cc2ccco2)C(C)C)cc1 ZINC000001774949 566843468 /nfs/dbraw/zinc/84/34/68/566843468.db2.gz CEZREASKJKBBTE-GOSISDBHSA-N 1 0 287.403 4.208 50 0 CIAARO C1=C2[C@@H](CCC1)[C@@H](C[NH+]1CCCCC1)O[C@H]1CCCC[C@@H]21 ZINC000004027241 566855788 /nfs/dbraw/zinc/85/57/88/566855788.db2.gz ZLGSKKXUVINAIN-ZSYWTGECSA-N 1 0 289.463 4.156 50 0 CIAARO C[C@@H]([NH2+]Cc1ccc(Cl)nc1)[C@H](C)c1ccccc1 ZINC000083473727 566863021 /nfs/dbraw/zinc/86/30/21/566863021.db2.gz XWOVXHCQBHLQIT-QWHCGFSZSA-N 1 0 274.795 4.017 50 0 CIAARO Fc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(F)c2)cc1 ZINC000015837379 566921174 /nfs/dbraw/zinc/92/11/74/566921174.db2.gz NNYQLBXZDFROKY-QGZVFWFLSA-N 1 0 273.326 4.302 50 0 CIAARO CCC[NH+](CCC)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000075108118 566935377 /nfs/dbraw/zinc/93/53/77/566935377.db2.gz RBJKRBSOHORRDA-UHFFFAOYSA-N 1 0 294.464 4.082 50 0 CIAARO C[C@@H](Cc1nc2ccccc2s1)[N@H+](C)Cc1ccccc1 ZINC000075105644 566936729 /nfs/dbraw/zinc/93/67/29/566936729.db2.gz SIZCYTNAGWQBCJ-AWEZNQCLSA-N 1 0 296.439 4.359 50 0 CIAARO C[N@H+](Cc1ccccc1)Cc1cccc2ccccc21 ZINC000001671552 566944191 /nfs/dbraw/zinc/94/41/91/566944191.db2.gz MQWWZHVTFHPPFJ-UHFFFAOYSA-N 1 0 261.368 4.472 50 0 CIAARO Clc1ccc2c(ccc[n+]2CCc2ccccc2)c1 ZINC000001668291 566944542 /nfs/dbraw/zinc/94/45/42/566944542.db2.gz RRKGTTHJCRVBCU-UHFFFAOYSA-N 1 0 268.767 4.023 50 0 CIAARO CC(C)n1nccc1-c1cccc([C@H](C)[NH+]2CCCC2)c1 ZINC000426510530 566988266 /nfs/dbraw/zinc/98/82/66/566988266.db2.gz YEDSRTLEHGEIEI-HNNXBMFYSA-N 1 0 283.419 4.288 50 0 CIAARO CCCc1nc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)c[nH]1 ZINC000426674427 566991548 /nfs/dbraw/zinc/99/15/48/566991548.db2.gz YSCQMPVFLYCNCM-CQSZACIVSA-N 1 0 283.419 4.186 50 0 CIAARO C[NH+](C)CCCCOc1ccc(Cl)c2ccccc12 ZINC000002824118 567037178 /nfs/dbraw/zinc/03/71/78/567037178.db2.gz PMQSKXMCZSXEKD-UHFFFAOYSA-N 1 0 277.795 4.214 50 0 CIAARO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000095968007 567041317 /nfs/dbraw/zinc/04/13/17/567041317.db2.gz OTNSYZOJYMXMKI-RFAUZJTJSA-N 1 0 290.794 4.283 50 0 CIAARO C[NH2+]Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1 ZINC000034051295 567058530 /nfs/dbraw/zinc/05/85/30/567058530.db2.gz QLVUBIIDSKNVLZ-UHFFFAOYSA-N 1 0 283.705 4.130 50 0 CIAARO Cc1ccc(-c2cncc(C[N@H+]3CCCC[C@H]3C)c2)cc1 ZINC000037553885 567068119 /nfs/dbraw/zinc/06/81/19/567068119.db2.gz JQPILXHUDUPJIM-MRXNPFEDSA-N 1 0 280.415 4.431 50 0 CIAARO C[C@H]1C[NH+]=C(N(Cc2ccccc2)Cc2ccccc2)S1 ZINC000020423726 567087571 /nfs/dbraw/zinc/08/75/71/567087571.db2.gz ZJALDOFQADUYFW-HNNXBMFYSA-N 1 0 296.439 4.180 50 0 CIAARO CC(C)c1ccc2oc(=O)cc(C[NH+]3CCC(C)CC3)c2c1 ZINC000002326108 567099889 /nfs/dbraw/zinc/09/98/89/567099889.db2.gz OLHRCKFHGSKSLG-UHFFFAOYSA-N 1 0 299.414 4.148 50 0 CIAARO CCc1ccc(C[N@@H+](C)C[C@@H](CC)c2ccccc2)nc1 ZINC000019222222 567118926 /nfs/dbraw/zinc/11/89/26/567118926.db2.gz FQBYLBDBKAGNTF-QGZVFWFLSA-N 1 0 282.431 4.270 50 0 CIAARO CC[C@@H](C)[NH2+]CCOC(c1ccccc1)c1ccccc1 ZINC000096026375 567136605 /nfs/dbraw/zinc/13/66/05/567136605.db2.gz CKTOBXJLONMQCY-MRXNPFEDSA-N 1 0 283.415 4.181 50 0 CIAARO CC[NH+](CC)CCO[C@@H](c1ccccc1)c1ccccc1C ZINC000096026464 567136620 /nfs/dbraw/zinc/13/66/20/567136620.db2.gz ALIWSCBGFHUUDX-FQEVSTJZSA-N 1 0 297.442 4.443 50 0 CIAARO C[N@H+](CCc1ccc(C(F)(F)F)cc1)Cc1ccccc1 ZINC000096027738 567138425 /nfs/dbraw/zinc/13/84/25/567138425.db2.gz IHMULFXNHWVGQI-UHFFFAOYSA-N 1 0 293.332 4.380 50 0 CIAARO Cc1ccc([C@H]2[NH2+]Cc3ccccc3-n3cccc32)c(C)c1 ZINC000004036505 567184397 /nfs/dbraw/zinc/18/43/97/567184397.db2.gz YATVRAHEOCHRGD-HXUWFJFHSA-N 1 0 288.394 4.287 50 0 CIAARO C[NH+]1CCC(=C2c3ccccc3Sc3ncccc32)CC1 ZINC000032273137 567191597 /nfs/dbraw/zinc/19/15/97/567191597.db2.gz AYGPHCZWCVXMSN-UHFFFAOYSA-N 1 0 294.423 4.074 50 0 CIAARO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)CCCC(C)(C)O ZINC000032523743 567195161 /nfs/dbraw/zinc/19/51/61/567195161.db2.gz BATWJAHHGFELLB-GJZGRUSLSA-N 1 0 255.446 4.041 50 0 CIAARO Cc1ccc(C(C)C)c(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000000311252 567825055 /nfs/dbraw/zinc/82/50/55/567825055.db2.gz JTORNYBQOJZVEB-IAGOWNOFSA-N 1 0 289.463 4.475 50 0 CIAARO C[NH2+][C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000000347664 567826369 /nfs/dbraw/zinc/82/63/69/567826369.db2.gz WCSUVFJJGYUDFD-CYBMUJFWSA-N 1 0 275.804 4.308 50 0 CIAARO CC[n+]1cc(-c2ccc3ccccc3n2)cc2ccccc21 ZINC000001206133 567836336 /nfs/dbraw/zinc/83/63/36/567836336.db2.gz PXYNUEVXYQKXPM-UHFFFAOYSA-N 1 0 285.370 4.362 50 0 CIAARO CC(C)(Cc1cccc(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000096027559 567836864 /nfs/dbraw/zinc/83/68/64/567836864.db2.gz BWJFWBOLRWTWFN-UHFFFAOYSA-N 1 0 271.326 4.122 50 0 CIAARO CCCCCC[NH2+]Cc1cccc(Br)c1 ZINC000002178098 567845128 /nfs/dbraw/zinc/84/51/28/567845128.db2.gz DKYYAOSKWCUOQO-UHFFFAOYSA-N 1 0 270.214 4.119 50 0 CIAARO CC[NH+](CC)CCCNc1ccc(C2CCCC2)cc1 ZINC000002193165 567845236 /nfs/dbraw/zinc/84/52/36/567845236.db2.gz SAHJDXQXKVRQLF-UHFFFAOYSA-N 1 0 274.452 4.488 50 0 CIAARO Cc1ccccc1OCCCCC[NH+]1CCCCC1 ZINC000002493577 567846030 /nfs/dbraw/zinc/84/60/30/567846030.db2.gz MVYVAEAPTPFINE-UHFFFAOYSA-N 1 0 261.409 4.030 50 0 CIAARO CC[NH+](CC)CCCCOc1ccc(C(C)(C)C)cc1 ZINC000002494494 567846038 /nfs/dbraw/zinc/84/60/38/567846038.db2.gz BXWBJPGGXORVPO-UHFFFAOYSA-N 1 0 277.452 4.485 50 0 CIAARO CC(C)(C)[C@H]1C[N@@H+](C(C)(C)C)C[C@@](O)(c2ccccc2)C1 ZINC000002466301 567846067 /nfs/dbraw/zinc/84/60/67/567846067.db2.gz JXFJOPCGNKFADS-VQIMIIECSA-N 1 0 289.463 4.041 50 0 CIAARO Cc1cc(C)cc(C(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000002514570 567846196 /nfs/dbraw/zinc/84/61/96/567846196.db2.gz KXXYFFOYLJWJFN-UHFFFAOYSA-N 1 0 293.410 4.130 50 0 CIAARO O=C(c1ccc(F)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000002514509 567846226 /nfs/dbraw/zinc/84/62/26/567846226.db2.gz MJEJDMXSEARIPP-UHFFFAOYSA-N 1 0 297.373 4.043 50 0 CIAARO Cc1cccc(C)c1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000002514568 567846489 /nfs/dbraw/zinc/84/64/89/567846489.db2.gz NHXXNZZWCRFSCB-UHFFFAOYSA-N 1 0 293.410 4.130 50 0 CIAARO Cc1cccc(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000002514491 567846507 /nfs/dbraw/zinc/84/65/07/567846507.db2.gz HLLSOTIBJWIBSA-UHFFFAOYSA-N 1 0 293.410 4.212 50 0 CIAARO O=C(c1ccc(F)cc1)c1ccccc1C[NH+]1CCCCC1 ZINC000002515507 567846864 /nfs/dbraw/zinc/84/68/64/567846864.db2.gz UIJDLPCLRJGEDR-UHFFFAOYSA-N 1 0 297.373 4.043 50 0 CIAARO Clc1cccc(C[NH2+]Cc2cccc(Cl)c2)c1 ZINC000002567281 567848489 /nfs/dbraw/zinc/84/84/89/567848489.db2.gz DNKUGPCGNWRIJJ-UHFFFAOYSA-N 1 0 266.171 4.283 50 0 CIAARO COc1ccc(CC[NH2+]Cc2cccc3ccccc32)cc1 ZINC000002573276 567848510 /nfs/dbraw/zinc/84/85/10/567848510.db2.gz KVJGHZHIALFZSK-UHFFFAOYSA-N 1 0 291.394 4.181 50 0 CIAARO Cc1ccc(OCCCC[NH+]2CCCCCC2)cc1C ZINC000002838993 567849651 /nfs/dbraw/zinc/84/96/51/567849651.db2.gz ITULABQPRVHGPL-UHFFFAOYSA-N 1 0 275.436 4.338 50 0 CIAARO Cc1ccccc1OCCCCCC[NH+]1CCCCC1 ZINC000002848840 567849785 /nfs/dbraw/zinc/84/97/85/567849785.db2.gz AXPKFYKRNXULMW-UHFFFAOYSA-N 1 0 275.436 4.420 50 0 CIAARO CCCC[NH2+]CCCCOc1c(C)cc(C)cc1C ZINC000002897727 567850377 /nfs/dbraw/zinc/85/03/77/567850377.db2.gz NJXWTRMJOVULRQ-UHFFFAOYSA-N 1 0 263.425 4.161 50 0 CIAARO CCCOc1cc(Cl)c(C[NH2+]C2CCCC2)cc1OC ZINC000002885066 567850392 /nfs/dbraw/zinc/85/03/92/567850392.db2.gz OWZIQCUDJLUPPG-UHFFFAOYSA-N 1 0 297.826 4.170 50 0 CIAARO CC1CC[NH+](CCCCOc2cccc(Cl)c2)CC1 ZINC000002955511 567850522 /nfs/dbraw/zinc/85/05/22/567850522.db2.gz ZTLUMBHSPOMNNU-UHFFFAOYSA-N 1 0 281.827 4.231 50 0 CIAARO CC[NH+](CC)CCCOc1cc(C)ccc1C(C)(C)C ZINC000003000960 567850893 /nfs/dbraw/zinc/85/08/93/567850893.db2.gz LCTIXXORSBEMIS-UHFFFAOYSA-N 1 0 277.452 4.403 50 0 CIAARO CC(C)[NH2+]CCOc1ccc(Cl)cc1C(C)(C)C ZINC000003002124 567851441 /nfs/dbraw/zinc/85/14/41/567851441.db2.gz JURCXQSFTNIEIA-UHFFFAOYSA-N 1 0 269.816 4.014 50 0 CIAARO Cc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccccc1C ZINC000003736384 567853357 /nfs/dbraw/zinc/85/33/57/567853357.db2.gz PVZNXLSVNOJUTF-SFHVURJKSA-N 1 0 276.383 4.020 50 0 CIAARO C[C@H]1C[C@H](C)C[NH+](CCCSc2ccccc2)C1 ZINC000004568483 567857986 /nfs/dbraw/zinc/85/79/86/567857986.db2.gz NAHGSCRAUMNHIA-GJZGRUSLSA-N 1 0 263.450 4.147 50 0 CIAARO CCOc1ccc(C[NH2+]Cc2ccccc2Cl)cc1 ZINC000004670809 567858929 /nfs/dbraw/zinc/85/89/29/567858929.db2.gz RKNXZADAKKPWDL-UHFFFAOYSA-N 1 0 275.779 4.029 50 0 CIAARO Fc1ccc(C[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000004657673 567858937 /nfs/dbraw/zinc/85/89/37/567858937.db2.gz LTIXVJHMZJTRNJ-UHFFFAOYSA-N 1 0 284.161 4.422 50 0 CIAARO C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000004657476 567858975 /nfs/dbraw/zinc/85/89/75/567858975.db2.gz DGRXUBQCXCPKGS-UHFFFAOYSA-N 1 0 296.197 4.292 50 0 CIAARO COc1ccc2ccccc2c1C[NH2+]Cc1ccc(F)cc1 ZINC000004657553 567859023 /nfs/dbraw/zinc/85/90/23/567859023.db2.gz YOXKXAIGXNMIEA-UHFFFAOYSA-N 1 0 295.357 4.277 50 0 CIAARO CC(C)(C)[C@@H](CO)[NH2+]Cc1sc2ccccc2c1Cl ZINC000032565458 567861947 /nfs/dbraw/zinc/86/19/47/567861947.db2.gz VIRLUXGWRUYKCM-CYBMUJFWSA-N 1 0 297.851 4.051 50 0 CIAARO CCC(CC)[NH2+]Cc1cccnc1Oc1ccccc1F ZINC000012449172 567863529 /nfs/dbraw/zinc/86/35/29/567863529.db2.gz POLLUHNROHIXJU-UHFFFAOYSA-N 1 0 288.366 4.291 50 0 CIAARO c1ccc(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000004350801 567863591 /nfs/dbraw/zinc/86/35/91/567863591.db2.gz AKSNXKCOEXJPRL-GOSISDBHSA-N 1 0 276.383 4.335 50 0 CIAARO c1ccc([C@@H]2CCC[N@@H+](C3CCSCC3)CC2)cc1 ZINC000032590431 567863759 /nfs/dbraw/zinc/86/37/59/567863759.db2.gz YQZGZWFMBCKWRR-MRXNPFEDSA-N 1 0 275.461 4.152 50 0 CIAARO c1cn(CCCCCOc2cccc3ccccc32)cn1 ZINC000012623446 567863806 /nfs/dbraw/zinc/86/38/06/567863806.db2.gz LNPWQHNTMUBPKO-UHFFFAOYSA-N 1 0 280.371 4.286 50 0 CIAARO CC12C[C@H]3C[C@@H](C1)CC(C[NH2+]Cc1ccccc1)(C3)C2 ZINC000228366143 567865247 /nfs/dbraw/zinc/86/52/47/567865247.db2.gz NHSJBQAWLMAOLO-LPOKXYRGSA-N 1 0 269.432 4.383 50 0 CIAARO C[C@@H](CCc1ccccc1)[NH2+]C/C=C/c1ccccc1 ZINC000013717912 567867516 /nfs/dbraw/zinc/86/75/16/567867516.db2.gz RPTQJPGQULLDFG-YJJOXIQCSA-N 1 0 265.400 4.311 50 0 CIAARO O=C(c1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014961616 567870003 /nfs/dbraw/zinc/87/00/03/567870003.db2.gz RJZUIWNAWGHYLY-AWEZNQCLSA-N 1 0 291.822 4.177 50 0 CIAARO c1ccc(CCOc2ccccc2C[NH2+]C2CCCC2)cc1 ZINC000019738131 567878723 /nfs/dbraw/zinc/87/87/23/567878723.db2.gz RMSGYNUOSKXZMI-UHFFFAOYSA-N 1 0 295.426 4.340 50 0 CIAARO Cc1ccc(O[C@H](C)C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000019737855 567878916 /nfs/dbraw/zinc/87/89/16/567878916.db2.gz JOKLUPQCOGAYQO-HZPDHXFCSA-N 1 0 269.388 4.113 50 0 CIAARO CC[NH2+]Cc1ccccc1OCc1ccc(F)cc1Cl ZINC000037702531 567880399 /nfs/dbraw/zinc/88/03/99/567880399.db2.gz MSXFVQJGIDDKRF-UHFFFAOYSA-N 1 0 293.769 4.168 50 0 CIAARO Clc1ccc(CC[NH2+]Cc2ccsc2)c(Cl)c1 ZINC000021796385 567881213 /nfs/dbraw/zinc/88/12/13/567881213.db2.gz IKZRLTKSQKVKHZ-UHFFFAOYSA-N 1 0 286.227 4.387 50 0 CIAARO Cc1cc(N2CCc3ccccc3C2)nc2cc(F)ccc12 ZINC000023550182 567881914 /nfs/dbraw/zinc/88/19/14/567881914.db2.gz PZCDFJTYUBMYDL-UHFFFAOYSA-N 1 0 292.357 4.245 50 0 CIAARO C[C@@H]([NH3+])c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000032629234 567886401 /nfs/dbraw/zinc/88/64/01/567886401.db2.gz LEJCXBQLLXBVIZ-MRVPVSSYSA-N 1 0 271.307 4.454 50 0 CIAARO Clc1ccc(CCCOCCC[NH+]2CCCCC2)cc1 ZINC000034045468 567886863 /nfs/dbraw/zinc/88/68/63/567886863.db2.gz NNACHAUCXXVJSP-UHFFFAOYSA-N 1 0 295.854 4.165 50 0 world CIAARO Cc1ccc(OCCCC[NH+]2CCC(C)CC2)c(C)c1 ZINC000002947072 567888103 /nfs/dbraw/zinc/88/81/03/567888103.db2.gz QVELCKAWPSLEAD-UHFFFAOYSA-N 1 0 275.436 4.194 50 0 CIAARO CC[C@@H](C)[NH2+]Cc1ccccc1OCc1cccc(C)c1 ZINC000040731417 567890789 /nfs/dbraw/zinc/89/07/89/567890789.db2.gz SGFNAEWFGQRROM-MRXNPFEDSA-N 1 0 283.415 4.462 50 0 CIAARO c1ccc(-c2ccc(COCC[C@@H]3CCCC[NH2+]3)cc2)cc1 ZINC000042771997 567891693 /nfs/dbraw/zinc/89/16/93/567891693.db2.gz CAOOLJIYECJALD-FQEVSTJZSA-N 1 0 295.426 4.402 50 0 CIAARO CC(C)c1ccc(OCCC2CC[NH2+]CC2)c(Cl)c1 ZINC000042770771 567891701 /nfs/dbraw/zinc/89/17/01/567891701.db2.gz LQCGNQBNAXUDKU-UHFFFAOYSA-N 1 0 281.827 4.232 50 0 CIAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1cn(C)c2ccccc12 ZINC000057353198 567894962 /nfs/dbraw/zinc/89/49/62/567894962.db2.gz AIISXTHMHAXAJI-INIZCTEOSA-N 1 0 292.426 4.289 50 0 CIAARO CCC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000057353077 567895154 /nfs/dbraw/zinc/89/51/54/567895154.db2.gz ULGIQTPOJKHZKH-UHFFFAOYSA-N 1 0 278.399 4.189 50 0 CIAARO Cc1ccsc1C[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000058016965 567895402 /nfs/dbraw/zinc/89/54/02/567895402.db2.gz QCIVAOVLTLSJDY-UHFFFAOYSA-N 1 0 295.835 4.221 50 0 CIAARO CCC(=O)c1cccc(-c2ccc(C[NH+](C)C)cc2)c1 ZINC000065455220 567899027 /nfs/dbraw/zinc/89/90/27/567899027.db2.gz LFMQBRQEPGRPFR-UHFFFAOYSA-N 1 0 267.372 4.008 50 0 CIAARO Cc1ccncc1-c1ccc([C@H](C)[NH+]2CCCC2)cc1 ZINC000065395856 567899270 /nfs/dbraw/zinc/89/92/70/567899270.db2.gz XABRZXRTJPTXIN-HNNXBMFYSA-N 1 0 266.388 4.214 50 0 CIAARO C/C(=C\c1ccco1)C[N@@H+]1CCC[C@@H]1c1c(C)noc1C ZINC000065403312 567899274 /nfs/dbraw/zinc/89/92/74/567899274.db2.gz UGOFGRCGPZSOAC-YBHKSSGVSA-N 1 0 286.375 4.125 50 0 CIAARO Cc1nc(C[NH2+][C@H](C)CCc2c[nH]c3ccccc23)cs1 ZINC000067754434 567900655 /nfs/dbraw/zinc/90/06/55/567900655.db2.gz WHCIESHJOCXLLC-GFCCVEGCSA-N 1 0 299.443 4.044 50 0 CIAARO CCCC[N@H+](C)Cc1nc(-c2cccc(F)c2F)oc1C ZINC000071776445 567902035 /nfs/dbraw/zinc/90/20/35/567902035.db2.gz IMFIJPDDHFDIFJ-UHFFFAOYSA-N 1 0 294.345 4.160 50 0 CIAARO CCC[C@H]1CCC[N@@H+]1Cc1ccc(CCC(C)(C)O)cc1 ZINC000072469519 567903218 /nfs/dbraw/zinc/90/32/18/567903218.db2.gz NBYVCMJDSMXIDF-SFHVURJKSA-N 1 0 289.463 4.155 50 0 CIAARO CCC[C@@H]1CCC[N@@H+]1Cc1ccc(CCC(C)(C)O)cc1 ZINC000072469517 567903381 /nfs/dbraw/zinc/90/33/81/567903381.db2.gz NBYVCMJDSMXIDF-GOSISDBHSA-N 1 0 289.463 4.155 50 0 CIAARO Cc1ccc(Nc2cc(C)[nH+]c3ccc(C)cc23)cc1 ZINC000000077031 567907368 /nfs/dbraw/zinc/90/73/68/567907368.db2.gz BNEVHZDJSBSDRX-UHFFFAOYSA-N 1 0 262.356 4.326 50 0 CIAARO COC(=O)c1ccc2[nH+]c(C)cc(Nc3ccccc3)c2c1 ZINC000000144059 567923825 /nfs/dbraw/zinc/92/38/25/567923825.db2.gz DQCBSJZNEBFINZ-UHFFFAOYSA-N 1 0 292.338 4.073 50 0 CIAARO CC(C)C[NH2+]Cc1ccccc1SC(F)(F)F ZINC000725270052 567924492 /nfs/dbraw/zinc/92/44/92/567924492.db2.gz DMYMJMUSGIHJIB-UHFFFAOYSA-N 1 0 263.328 4.044 50 0 CIAARO C[C@H]([NH2+]Cc1ccccc1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000408525908 567927518 /nfs/dbraw/zinc/92/75/18/567927518.db2.gz MYJFLGKNRABFFE-DOPJRALCSA-N 1 0 269.363 4.108 50 0 CIAARO c1ccc2cc(-c3cncc(C[NH+]4CCCC4)c3)ccc2c1 ZINC000037553722 567928083 /nfs/dbraw/zinc/92/80/83/567928083.db2.gz CFYYNEPROYEQEL-UHFFFAOYSA-N 1 0 288.394 4.498 50 0 CIAARO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccccc1 ZINC000033829088 567928256 /nfs/dbraw/zinc/92/82/56/567928256.db2.gz FSLXHGVLOIOQJK-CYBMUJFWSA-N 1 0 293.332 4.426 50 0 CIAARO CC(C)(C)c1ccc(Oc2ccc(CC[NH3+])cc2)cc1 ZINC000011860139 567928665 /nfs/dbraw/zinc/92/86/65/567928665.db2.gz OQPZLWJHTWCFIE-UHFFFAOYSA-N 1 0 269.388 4.278 50 0 CIAARO CCCC[C@H]1C[N@@H+]2CCc3c4ccccc4[nH]c3[C@]2(C)C1 ZINC000001898696 567931582 /nfs/dbraw/zinc/93/15/82/567931582.db2.gz XFRKOROYPDUFGL-KUHUBIRLSA-N 1 0 282.431 4.451 50 0 CIAARO CCC[C@@H](C)[NH2+]CC(=O)Nc1ccccc1-c1ccccc1 ZINC000002649607 567932235 /nfs/dbraw/zinc/93/22/35/567932235.db2.gz DXOPOLOLCPXACJ-OAHLLOKOSA-N 1 0 296.414 4.070 50 0 CIAARO COc1ccccc1C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000000172202 567935461 /nfs/dbraw/zinc/93/54/61/567935461.db2.gz DTSUOCKGWNHSRK-UHFFFAOYSA-N 1 0 295.304 4.004 50 0 CIAARO Cc1cc(C)c(OCCCC[NH2+]C(C)(C)C)c(C)c1 ZINC000002903603 567937855 /nfs/dbraw/zinc/93/78/55/567937855.db2.gz ORSXIJJKXATNFA-UHFFFAOYSA-N 1 0 263.425 4.159 50 0 CIAARO C[C@@H](C[NH2+]C[C@H](C)c1ccccc1)c1ccccc1 ZINC000003846048 567938052 /nfs/dbraw/zinc/93/80/52/567938052.db2.gz QBFZOSQADWWNSK-HOTGVXAUSA-N 1 0 253.389 4.183 50 0 CIAARO CCN(CC)c1[nH+]c2ccccc2c(N)c1-c1ccccc1 ZINC000018149294 567940051 /nfs/dbraw/zinc/94/00/51/567940051.db2.gz MDXWCEKNISCBOB-UHFFFAOYSA-N 1 0 291.398 4.330 50 0 CIAARO CC(C)CC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000013724183 567942064 /nfs/dbraw/zinc/94/20/64/567942064.db2.gz ANGPQULCQIQCBQ-UHFFFAOYSA-N 1 0 283.415 4.401 50 0 CIAARO CCCCOCCC[NH2+]Cc1cccc2ccccc21 ZINC000013719473 567942135 /nfs/dbraw/zinc/94/21/35/567942135.db2.gz ZNKMISDBIRJMQB-UHFFFAOYSA-N 1 0 271.404 4.136 50 0 CIAARO C[C@@H](C[NH2+][C@@H](C)CCc1ccccc1)c1ccccc1 ZINC000013718483 567942236 /nfs/dbraw/zinc/94/22/36/567942236.db2.gz UXGINOTUXUWUNC-IRXDYDNUSA-N 1 0 267.416 4.401 50 0 CIAARO C[NH+](C)CC(C)(C)[C@@H]1O[C@@H]2CCCC[C@@H]2C2=CCCC[C@H]21 ZINC000000519399 567942275 /nfs/dbraw/zinc/94/22/75/567942275.db2.gz HCPHZQAJVVJZLU-BRSBDYLESA-N 1 0 291.479 4.258 50 0 CIAARO CC1=CC(=C2Nc3cc(F)ccc3N2C(C)C)C=CC1=[NH2+] ZINC000104294723 567943639 /nfs/dbraw/zinc/94/36/39/567943639.db2.gz WQYDNKOZJDKLIH-OPLLVCEASA-N 1 0 283.350 4.213 50 0 CIAARO Fc1ccccc1CC[NH2+]Cc1c(Cl)cccc1Cl ZINC000016449516 567944272 /nfs/dbraw/zinc/94/42/72/567944272.db2.gz LEDAEZGDPQKKAC-UHFFFAOYSA-N 1 0 298.188 4.465 50 0 CIAARO C[C@@H]([NH2+]Cc1ccccn1)c1cccc2ccccc21 ZINC000019957216 567945098 /nfs/dbraw/zinc/94/50/98/567945098.db2.gz HHFORQAVVULLGQ-CQSZACIVSA-N 1 0 262.356 4.086 50 0 CIAARO c1c2ccccc2[nH]c1C[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000215973130 567947309 /nfs/dbraw/zinc/94/73/09/567947309.db2.gz COEOGSCUYBJPPS-LJQANCHMSA-N 1 0 291.398 4.290 50 0 CIAARO Clc1ccc([C@@H]2CCC[N@H+](Cc3cscn3)C2)cc1 ZINC000215939893 567947348 /nfs/dbraw/zinc/94/73/48/567947348.db2.gz UXTRPXWPQCIBPU-CYBMUJFWSA-N 1 0 292.835 4.176 50 0 CIAARO Clc1ccc([C@H]2CCC[N@H+](Cc3ccco3)C2)cc1 ZINC000216373703 567947705 /nfs/dbraw/zinc/94/77/05/567947705.db2.gz FQPBPEBXUUSJKR-AWEZNQCLSA-N 1 0 275.779 4.313 50 0 CIAARO COc1ccc2cc(C[NH2+][C@@H](C)c3ccccn3)ccc2c1 ZINC000025359076 567948948 /nfs/dbraw/zinc/94/89/48/567948948.db2.gz WAGVZZVISWVWIM-AWEZNQCLSA-N 1 0 292.382 4.094 50 0 CIAARO COc1ccc2cc(C[NH2+][C@H](C)c3cccnc3)ccc2c1 ZINC000025365398 567948957 /nfs/dbraw/zinc/94/89/57/567948957.db2.gz QDNQSWFUIOCWDF-CQSZACIVSA-N 1 0 292.382 4.094 50 0 CIAARO c1ccc(CC2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000001159765 567953595 /nfs/dbraw/zinc/95/35/95/567953595.db2.gz HRBKFQYSVXXYDE-UHFFFAOYSA-N 1 0 295.426 4.020 50 0 in-vivo CIAARO CCSc1ccccc1OCCC[NH+]1CCCCC1 ZINC000225545330 567953864 /nfs/dbraw/zinc/95/38/64/567953864.db2.gz ZMPGSWNRFCYEMA-UHFFFAOYSA-N 1 0 279.449 4.053 50 0 CIAARO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(C)cc2C)c1 ZINC000028924864 567954116 /nfs/dbraw/zinc/95/41/16/567954116.db2.gz XMAVRVRFACFGJQ-HNNXBMFYSA-N 1 0 296.414 4.113 50 0 CIAARO CC(C)[NH2+]Cc1ccc(OCc2cccc(Cl)c2)cc1 ZINC000032145939 567955725 /nfs/dbraw/zinc/95/57/25/567955725.db2.gz PXOQXEAGGQDKMO-UHFFFAOYSA-N 1 0 289.806 4.417 50 0 CIAARO CCC[NH2+]Cc1ccccc1OCc1cccc(Cl)c1 ZINC000032145927 567955876 /nfs/dbraw/zinc/95/58/76/567955876.db2.gz MUZHHIMNVGGTFE-UHFFFAOYSA-N 1 0 289.806 4.419 50 0 CIAARO Cc1ccccc1COc1ccc(C[NH2+]CC(C)C)cc1 ZINC000032129481 567955991 /nfs/dbraw/zinc/95/59/91/567955991.db2.gz PEFGSRPEXGYNFE-UHFFFAOYSA-N 1 0 283.415 4.320 50 0 CIAARO [NH3+]C[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000014808315 570224993 /nfs/dbraw/zinc/22/49/93/570224993.db2.gz AYTPJPQOCDNXRW-LBPRGKRZSA-N 1 0 266.171 4.084 50 0 CIAARO CCCC[NH2+]CCOc1ccc(OCc2ccccc2)cc1 ZINC000003001328 570278617 /nfs/dbraw/zinc/27/86/17/570278617.db2.gz HYSOJWDDWWLJSP-UHFFFAOYSA-N 1 0 299.414 4.034 50 0 CIAARO CC1=CC(=C2Nc3ccc(F)cc3N2C(C)C)C=CC1=[NH2+] ZINC000103754903 570287725 /nfs/dbraw/zinc/28/77/25/570287725.db2.gz FVMIULYMSBCPPA-OPLLVCEASA-N 1 0 283.350 4.213 50 0 CIAARO CC[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1ccc(Cl)s1 ZINC000221710601 570311427 /nfs/dbraw/zinc/31/14/27/570311427.db2.gz SXOLBLVODBOWJO-AXFHLTTASA-N 1 0 273.829 4.010 50 0 CIAARO CC[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1ccc(Cl)s1 ZINC000221710702 570311460 /nfs/dbraw/zinc/31/14/60/570311460.db2.gz SXOLBLVODBOWJO-DCAQKATOSA-N 1 0 273.829 4.010 50 0 CIAARO Cc1ccc(-c2c[n+]3ccccc3n2Cc2ccccc2)cc1 ZINC000003251880 570319963 /nfs/dbraw/zinc/31/99/63/570319963.db2.gz KHIIMNBPAGEVQN-UHFFFAOYSA-N 1 0 299.397 4.251 50 0 CIAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000015837043 570343734 /nfs/dbraw/zinc/34/37/34/570343734.db2.gz FGPXZLMJFXTVPP-GOSISDBHSA-N 1 0 285.362 4.171 50 0 CIAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000015837093 570344100 /nfs/dbraw/zinc/34/41/00/570344100.db2.gz VOESKNZSEJOBCX-SFHVURJKSA-N 1 0 267.372 4.032 50 0 CIAARO Cc1[nH]c2ccc(C)cc2c1CC[NH2+]Cc1ccccc1 ZINC000036657765 570361514 /nfs/dbraw/zinc/36/15/14/570361514.db2.gz MCABLVUEHWVJGE-UHFFFAOYSA-N 1 0 278.399 4.117 50 0 CIAARO Cc1c(Cl)ccc(OCCC[N@H+]2CCC[C@H](C)C2)c1C ZINC000002822020 570371440 /nfs/dbraw/zinc/37/14/40/570371440.db2.gz NCYLTBLKTDWEPY-ZDUSSCGKSA-N 1 0 295.854 4.458 50 0 CIAARO c1ccc(C(c2ccccc2)=C2C[NH+]3CCC2CC3)cc1 ZINC000002560283 570384131 /nfs/dbraw/zinc/38/41/31/570384131.db2.gz HDKROIJMOQEIJT-UHFFFAOYSA-N 1 0 275.395 4.214 50 0 CIAARO Cc1nc(C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)cs1 ZINC000095531606 185005154 /nfs/dbraw/zinc/00/51/54/185005154.db2.gz PNGIYXYMTLZJTG-KRWDZBQOSA-N 1 0 286.444 4.005 50 0 CIAARO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000095941306 185036215 /nfs/dbraw/zinc/03/62/15/185036215.db2.gz WIOMUAHOHAVADM-NWDGAFQWSA-N 1 0 272.845 4.101 50 0 CIAARO C[C@@H](CSc1cc(Cl)ccc1Cl)[NH+](C)C ZINC000095941649 185036467 /nfs/dbraw/zinc/03/64/67/185036467.db2.gz NUQQLGQLQQIPAG-QMMMGPOBSA-N 1 0 264.221 4.036 50 0 CIAARO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000095955079 185041565 /nfs/dbraw/zinc/04/15/65/185041565.db2.gz DFNXLZMWDLHDNP-LBPRGKRZSA-N 1 0 294.320 4.293 50 0 CIAARO CC[C@H]([NH2+][C@H]1CCCc2ccccc21)c1ccncc1 ZINC000095968449 185046480 /nfs/dbraw/zinc/04/64/80/185046480.db2.gz IAONISVWSSXNQU-ROUUACIJSA-N 1 0 266.388 4.200 50 0 CIAARO CSc1ccc([C@@H](C)[NH2+]Cc2scnc2C)cc1F ZINC000095967736 185046724 /nfs/dbraw/zinc/04/67/24/185046724.db2.gz HMRFVICIVQRQBK-SECBINFHSA-N 1 0 296.436 4.163 50 0 CIAARO C[C@@H](CCc1cccn1C)[NH2+]C1CCCCCCC1 ZINC000095968611 185047442 /nfs/dbraw/zinc/04/74/42/185047442.db2.gz GOQOXDYVPACOHU-HNNXBMFYSA-N 1 0 262.441 4.049 50 0 CIAARO CCC(CC)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000095982796 185053765 /nfs/dbraw/zinc/05/37/65/185053765.db2.gz HCBXLSIWYCRHEF-QGZVFWFLSA-N 1 0 285.435 4.146 50 0 CIAARO c1ccc(C[NH+](Cc2ccccc2)Cc2cccnc2)cc1 ZINC000096027074 185066992 /nfs/dbraw/zinc/06/69/92/185066992.db2.gz NSOYLTSYKBQFDQ-UHFFFAOYSA-N 1 0 288.394 4.284 50 0 CIAARO CCC[C@@]1(CC[NH2+]Cc2ccco2)CCOC(C)(C)C1 ZINC000096115621 185101601 /nfs/dbraw/zinc/10/16/01/185101601.db2.gz VEVHUQZLTLIIMT-QGZVFWFLSA-N 1 0 279.424 4.135 50 0 CIAARO COc1ccc(O)c(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)c1 ZINC000096138584 185105853 /nfs/dbraw/zinc/10/58/53/185105853.db2.gz HKPZERFYSMKXCP-AWEZNQCLSA-N 1 0 297.398 4.225 50 0 CIAARO Cc1noc(C)c1-c1cccc([C@@H](C)[NH+]2CCCC2)c1 ZINC000096149873 185107188 /nfs/dbraw/zinc/10/71/88/185107188.db2.gz KDBUUIDWRHEVAR-CYBMUJFWSA-N 1 0 270.376 4.115 50 0 CIAARO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)CC(C)C ZINC000097032877 185155962 /nfs/dbraw/zinc/15/59/62/185155962.db2.gz CBZUYFSFRXBGGE-UONOGXRCSA-N 1 0 273.424 4.141 50 0 CIAARO C[N@@H+]1CCC[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000105039060 186038411 /nfs/dbraw/zinc/03/84/11/186038411.db2.gz ACPNGKNHOCUVOK-ZWKOTPCHSA-N 1 0 251.373 4.237 50 0 CIAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3[C@@H]1CC=C(C)CC1 ZINC000000386494 169626234 /nfs/dbraw/zinc/62/62/34/169626234.db2.gz CBURKUOQISWBOD-FZKQIMNGSA-N 1 0 296.414 4.110 50 0 CIAARO CC(C)CC[NH2+]Cc1ccc(OC(C)C)c(Cl)c1 ZINC000040731187 184547480 /nfs/dbraw/zinc/54/74/80/184547480.db2.gz SJOJTKBEGMIYQG-UHFFFAOYSA-N 1 0 269.816 4.263 50 0 CIAARO CCc1cc(OCC[NH2+]Cc2ccccc2)ccc1Cl ZINC000002822679 256857114 /nfs/dbraw/zinc/85/71/14/256857114.db2.gz AFAWVZHERRPZCH-UHFFFAOYSA-N 1 0 289.806 4.071 50 0 CIAARO CC[NH+](CC)c1ccc(NCc2cccs2)cc1 ZINC000000575201 169671551 /nfs/dbraw/zinc/67/15/51/169671551.db2.gz NMEGNBFRBIKXBA-UHFFFAOYSA-N 1 0 260.406 4.206 50 0 CIAARO C[NH2+]CCC=C1c2ccccc2C=Cc2ccccc21 ZINC000002040609 169770354 /nfs/dbraw/zinc/77/03/54/169770354.db2.gz XECQQDXTQRYYBH-UHFFFAOYSA-N 1 0 261.368 4.212 50 0 world CIAARO Clc1ccc(OCCCCCC[NH+]2CCCC2)cc1 ZINC000002494151 169795079 /nfs/dbraw/zinc/79/50/79/169795079.db2.gz LDDXPUVDUZUYFR-UHFFFAOYSA-N 1 0 281.827 4.375 50 0 CIAARO Cc1ccc(OCCCC[NH+](C)C)c(C(C)(C)C)c1 ZINC000002824893 169835132 /nfs/dbraw/zinc/83/51/32/169835132.db2.gz QJMMSFSQFGKRAF-UHFFFAOYSA-N 1 0 263.425 4.013 50 0 CIAARO C[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000002866147 169838512 /nfs/dbraw/zinc/83/85/12/169838512.db2.gz WUXPIHKVMXGSCO-UHFFFAOYSA-N 1 0 295.357 4.277 50 0 CIAARO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C)cc1Cl ZINC000002885308 169841079 /nfs/dbraw/zinc/84/10/79/169841079.db2.gz MERLVJMFSXTKMC-RISCZKNCSA-N 1 0 267.800 4.017 50 0 CIAARO Cc1cc(C)c(C)c(OCCCC[NH2+]Cc2ccco2)c1 ZINC000003247093 169871731 /nfs/dbraw/zinc/87/17/31/169871731.db2.gz TVFJCSAMJGSPLF-UHFFFAOYSA-N 1 0 287.403 4.154 50 0 CIAARO CCSc1ccc2c(ccc3c2CCCC3)[n+]1CC ZINC000004555431 169983291 /nfs/dbraw/zinc/98/32/91/169983291.db2.gz AIYMQIJYKOZJGW-UHFFFAOYSA-N 1 0 272.437 4.138 50 0 CIAARO CCCCCCOc1ccc(C[NH2+]CCCOCC)cc1 ZINC000004686711 169998661 /nfs/dbraw/zinc/99/86/61/169998661.db2.gz ZWUFRYUFUOOQCN-UHFFFAOYSA-N 1 0 293.451 4.162 50 0 CIAARO Cc1cc(OCC[NH+]2CCC(C)CC2)ccc1C(C)C ZINC000004845501 170029411 /nfs/dbraw/zinc/02/94/11/170029411.db2.gz SSFVLLUWNZSSNF-UHFFFAOYSA-N 1 0 275.436 4.229 50 0 CIAARO COc1ccc(C[NH2+]Cc2cccc(C(F)(F)F)c2)cc1 ZINC000004891758 170036768 /nfs/dbraw/zinc/03/67/68/170036768.db2.gz VPAXCASHTZURJC-UHFFFAOYSA-N 1 0 295.304 4.004 50 0 CIAARO CCCn1c2ccccc2nc1C[N@H+](C)C1CCCCC1 ZINC000004910997 170040372 /nfs/dbraw/zinc/04/03/72/170040372.db2.gz VFXYNZFFJVSHRP-UHFFFAOYSA-N 1 0 285.435 4.211 50 0 CIAARO C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccc3ccccc3c2)C1 ZINC000004914482 170040776 /nfs/dbraw/zinc/04/07/76/170040776.db2.gz DKFNWXGOOBDMPS-HZPDHXFCSA-N 1 0 283.415 4.197 50 0 CIAARO Clc1ccc(C[NH2+]CCCc2ccccc2)cc1 ZINC000004947299 170044169 /nfs/dbraw/zinc/04/41/69/170044169.db2.gz QMASEDPJKXGRCW-UHFFFAOYSA-N 1 0 259.780 4.062 50 0 CIAARO CCc1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000004982742 170048764 /nfs/dbraw/zinc/04/87/64/170048764.db2.gz WEBUPABSYITKGV-LJQANCHMSA-N 1 0 280.415 4.371 50 0 CIAARO c1ccc(Oc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000004989004 170049946 /nfs/dbraw/zinc/04/99/46/170049946.db2.gz MCEZLRUOGAVHFQ-UHFFFAOYSA-N 1 0 267.372 4.465 50 0 CIAARO CCCC[NH2+]CCCOc1ccccc1C(C)(C)C ZINC000004997368 170052045 /nfs/dbraw/zinc/05/20/45/170052045.db2.gz LDIFCSDQLHMDRJ-UHFFFAOYSA-N 1 0 263.425 4.143 50 0 CIAARO CCOc1cc(C[NH2+]C(C)(C)C)c(Cl)cc1OC(C)C ZINC000005013853 170055556 /nfs/dbraw/zinc/05/55/56/170055556.db2.gz LHFPRTKYNAOFCO-UHFFFAOYSA-N 1 0 299.842 4.414 50 0 CIAARO c1[nH]c2ccccc2c1C1=CC[N@H+](Cc2ccccc2)CC1 ZINC000005138428 170070158 /nfs/dbraw/zinc/07/01/58/170070158.db2.gz TYKXLUMYKFFSJE-UHFFFAOYSA-N 1 0 288.394 4.457 50 0 CIAARO CC(C)Cn1c2ccccc2nc1[C@@H](C)[NH+]1CCCCC1 ZINC000005210265 170076101 /nfs/dbraw/zinc/07/61/01/170076101.db2.gz PUIKDIWOYCZSEV-OAHLLOKOSA-N 1 0 285.435 4.239 50 0 CIAARO Cc1cc(Nc2ccc(O)cc2)c2cccc(C)c2[nH+]1 ZINC000005752568 170137074 /nfs/dbraw/zinc/13/70/74/170137074.db2.gz LVKJOEZNXMUDOL-UHFFFAOYSA-N 1 0 264.328 4.301 50 0 CIAARO COc1ccc(C[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000006457707 170202900 /nfs/dbraw/zinc/20/29/00/170202900.db2.gz AYKOQVFEUOLJBW-UHFFFAOYSA-N 1 0 296.197 4.292 50 0 CIAARO CC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000006497325 170207010 /nfs/dbraw/zinc/20/70/10/170207010.db2.gz ILCUIINEXPMZHF-UHFFFAOYSA-N 1 0 275.779 4.029 50 0 CIAARO c1ccc(-c2ccc(C[NH2+]Cc3cccnc3)cc2)cc1 ZINC000006701275 170229594 /nfs/dbraw/zinc/22/95/94/170229594.db2.gz VRNVPEMJTXLWHA-UHFFFAOYSA-N 1 0 274.367 4.038 50 0 CIAARO C[N@@H+]1CCC[C@@H]1/C=C/COc1ccc(Cl)c(Cl)c1 ZINC000006734478 170236525 /nfs/dbraw/zinc/23/65/25/170236525.db2.gz HBVXCBLOJOADGW-JOAKQRRISA-N 1 0 286.202 4.023 50 0 CIAARO CCCCC[NH2+]Cc1cc(Cl)c(OCC)c(OC)c1 ZINC000007261238 170273634 /nfs/dbraw/zinc/27/36/34/170273634.db2.gz OKOHZVBJCBBCCP-UHFFFAOYSA-N 1 0 285.815 4.027 50 0 CIAARO CCCCCC[NH2+]Cc1ccc(OCC)c(OCC)c1 ZINC000007261025 170273699 /nfs/dbraw/zinc/27/36/99/170273699.db2.gz PNRQAYSVFKKUKO-UHFFFAOYSA-N 1 0 279.424 4.154 50 0 CIAARO CCCCC[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000007261213 170273708 /nfs/dbraw/zinc/27/37/08/170273708.db2.gz KVDQVRBZVXSSSL-UHFFFAOYSA-N 1 0 257.377 4.128 50 0 CIAARO CCCC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000007261726 170273934 /nfs/dbraw/zinc/27/39/34/170273934.db2.gz BKICQTVVJUAKAY-UHFFFAOYSA-N 1 0 269.388 4.155 50 0 CIAARO CCCCC[NH2+]Cc1cc(Cl)c(OCC)c(OCC)c1 ZINC000007261239 170273936 /nfs/dbraw/zinc/27/39/36/170273936.db2.gz JTYFXBVWHIGGFU-UHFFFAOYSA-N 1 0 299.842 4.417 50 0 CIAARO Fc1ccccc1-c1ccc(C[NH2+]Cc2ccccc2)o1 ZINC000007524274 170288872 /nfs/dbraw/zinc/28/88/72/170288872.db2.gz YTICDYBMIQDYFS-UHFFFAOYSA-N 1 0 281.330 4.376 50 0 CIAARO CC[C@@H](C)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000007524609 170288989 /nfs/dbraw/zinc/28/89/89/170288989.db2.gz RJRSMJLLZSJHKV-LLVKDONJSA-N 1 0 263.768 4.488 50 0 CIAARO CCOc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OCC ZINC000008253863 170327449 /nfs/dbraw/zinc/32/74/49/170327449.db2.gz BUTYFDKZJPVYEZ-UHFFFAOYSA-N 1 0 285.815 4.026 50 0 CIAARO CCOc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1OCC ZINC000008324954 170331547 /nfs/dbraw/zinc/33/15/47/170331547.db2.gz HKXUJZMJAOTOSE-OAHLLOKOSA-N 1 0 299.414 4.335 50 0 CIAARO COc1cc(C[NH2+]C2CCCCCC2)cc(Cl)c1OC ZINC000008469855 170336936 /nfs/dbraw/zinc/33/69/36/170336936.db2.gz ICLNYUIOZAQWEL-UHFFFAOYSA-N 1 0 297.826 4.170 50 0 CIAARO C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCCCCC1 ZINC000008488727 170337564 /nfs/dbraw/zinc/33/75/64/170337564.db2.gz PNKTTXPHPPGYAA-HNNXBMFYSA-N 1 0 296.414 4.043 50 0 CIAARO CSc1ccc(C[NH2+]Cc2ccccc2Cl)cc1 ZINC000008496873 170338166 /nfs/dbraw/zinc/33/81/66/170338166.db2.gz CMQZFZPGTCMRLT-UHFFFAOYSA-N 1 0 277.820 4.352 50 0 CIAARO Cc1ccc2[nH]c(C)c(C[N@@H+](C)C3CCCCC3)c(=O)c2c1 ZINC000008662396 170344184 /nfs/dbraw/zinc/34/41/84/170344184.db2.gz CCQGEJNZPXYJQI-UHFFFAOYSA-N 1 0 298.430 4.322 50 0 CIAARO CC[N@H+](Cc1c(C)[nH]c2ccccc2c1=O)C1CCCCC1 ZINC000008700832 170346628 /nfs/dbraw/zinc/34/66/28/170346628.db2.gz HHAXCRIFMNUZOW-UHFFFAOYSA-N 1 0 298.430 4.403 50 0 CIAARO Cc1cc(C)c2[nH]c(C)c(C[N@H+]3CCCC[C@H]3C)c(=O)c2c1 ZINC000008713993 170348442 /nfs/dbraw/zinc/34/84/42/170348442.db2.gz PMLGVYZXYGVKFO-CQSZACIVSA-N 1 0 298.430 4.240 50 0 CIAARO CCCC[N@H+](C)Cc1c(C)[nH]c2c(C)cc(C)cc2c1=O ZINC000008713995 170348668 /nfs/dbraw/zinc/34/86/68/170348668.db2.gz XQCZEXZKQCDWFF-UHFFFAOYSA-N 1 0 286.419 4.098 50 0 CIAARO Cc1ccc(C)c2c(=O)c(C[NH+]3CCCCCC3)c(C)[nH]c12 ZINC000008717478 170349119 /nfs/dbraw/zinc/34/91/19/170349119.db2.gz GXUJHRUOPVQJLJ-UHFFFAOYSA-N 1 0 298.430 4.242 50 0 CIAARO CCn1c(C)c(/C=C/c2cc[n+](C)cc2)c2cc(C)ccc21 ZINC000009061292 170362405 /nfs/dbraw/zinc/36/24/05/170362405.db2.gz STISEFIBWAZECR-UHFFFAOYSA-N 1 0 291.418 4.273 50 0 CIAARO CC[N@H+](Cc1ccncc1)Cc1ccc(Cl)c(Cl)c1 ZINC000009849450 170386710 /nfs/dbraw/zinc/38/67/10/170386710.db2.gz NROQXPZNYWWECU-UHFFFAOYSA-N 1 0 295.213 4.411 50 0 CIAARO Cc1cccc2c(=O)c(C[N@@H+](C)C3CCCCC3)c(C)[nH]c12 ZINC000009911075 170389662 /nfs/dbraw/zinc/38/96/62/170389662.db2.gz TXRNPRVDXPLUHR-UHFFFAOYSA-N 1 0 298.430 4.322 50 0 CIAARO C[NH2+]Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000019777223 170860796 /nfs/dbraw/zinc/86/07/96/170860796.db2.gz DHHMZIMKHLKZMB-UHFFFAOYSA-N 1 0 296.197 4.292 50 0 CIAARO Fc1ccc(Br)cc1C[NH2+]C1CCCCC1 ZINC000019878846 170907253 /nfs/dbraw/zinc/90/72/53/170907253.db2.gz MMKZQIJUUVSQAS-UHFFFAOYSA-N 1 0 286.188 4.011 50 0 CIAARO C[C@H](Cc1cccs1)[NH2+]Cc1ccc(Cl)cc1 ZINC000020268046 171124416 /nfs/dbraw/zinc/12/44/16/171124416.db2.gz ANEQQKLNDYNTER-LLVKDONJSA-N 1 0 265.809 4.122 50 0 CIAARO CC[C@H]([NH2+]Cc1cccc(F)c1)c1ccc(F)cc1 ZINC000020473399 171217318 /nfs/dbraw/zinc/21/73/18/171217318.db2.gz MQNOJJXECXOJTA-INIZCTEOSA-N 1 0 261.315 4.206 50 0 CIAARO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccccc1Br ZINC000020523201 171236009 /nfs/dbraw/zinc/23/60/09/171236009.db2.gz XJAPQHHCMRESGA-GHMZBOCLSA-N 1 0 270.214 4.144 50 0 CIAARO CC(C)[C@H](C)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000020523300 171236067 /nfs/dbraw/zinc/23/60/67/171236067.db2.gz HMHOSIVUHLORTE-QWRGUYRKSA-N 1 0 270.214 4.144 50 0 CIAARO Cc1ccc(COc2cccc(C[NH2+]CC(C)C)c2)cc1 ZINC000020874467 171277249 /nfs/dbraw/zinc/27/72/49/171277249.db2.gz JRHKQAADDPJLRF-UHFFFAOYSA-N 1 0 283.415 4.320 50 0 CIAARO Cc1ccc(COc2ccccc2C[NH2+]C(C)(C)C)cc1 ZINC000020873571 171277314 /nfs/dbraw/zinc/27/73/14/171277314.db2.gz CZTPKOWIWXDGIQ-UHFFFAOYSA-N 1 0 283.415 4.462 50 0 CIAARO CCCOc1ccc(C[NH2+]Cc2ccccc2Cl)cc1 ZINC000020925184 171279892 /nfs/dbraw/zinc/27/98/92/171279892.db2.gz GTYHZIUQSWPABX-UHFFFAOYSA-N 1 0 289.806 4.419 50 0 CIAARO CCCOc1ccc(Cl)cc1C[NH2+]Cc1cccs1 ZINC000020928805 171280491 /nfs/dbraw/zinc/28/04/91/171280491.db2.gz RNZUCQBCMRMDLN-UHFFFAOYSA-N 1 0 295.835 4.480 50 0 CIAARO CCCOc1ccc(C[NH2+]C2CCCC2)cc1Cl ZINC000020925448 171280549 /nfs/dbraw/zinc/28/05/49/171280549.db2.gz IGWXFMLUINNSAQ-UHFFFAOYSA-N 1 0 267.800 4.161 50 0 CIAARO CCCC[NH2+]Cc1ccc(OCCC)c(Cl)c1 ZINC000020925443 171280581 /nfs/dbraw/zinc/28/05/81/171280581.db2.gz WIXZCKSOSSDLTR-UHFFFAOYSA-N 1 0 255.789 4.019 50 0 CIAARO CCCCC[NH2+]Cc1ccc(OCCC)c(Cl)c1 ZINC000020925523 171280596 /nfs/dbraw/zinc/28/05/96/171280596.db2.gz BMJFJZKARIVBKH-UHFFFAOYSA-N 1 0 269.816 4.409 50 0 CIAARO CCCOc1c(Cl)cc(C[NH2+]C(C)(C)CC)cc1OC ZINC000020931744 171280948 /nfs/dbraw/zinc/28/09/48/171280948.db2.gz ZONRXMYILXEFEE-UHFFFAOYSA-N 1 0 299.842 4.416 50 0 CIAARO CCCOc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1OC ZINC000020930971 171281099 /nfs/dbraw/zinc/28/10/99/171281099.db2.gz UJZUKRDEJGMFEN-HNNXBMFYSA-N 1 0 299.414 4.335 50 0 CIAARO CCCCC[NH2+]Cc1cc(Cl)c(OCCC)c(OC)c1 ZINC000020931483 171281111 /nfs/dbraw/zinc/28/11/11/171281111.db2.gz VFTBYZPFMTVMDL-UHFFFAOYSA-N 1 0 299.842 4.417 50 0 CIAARO CCn1cc(C[NH2+]CCc2ccc(F)cc2)c2ccccc21 ZINC000020935152 171281438 /nfs/dbraw/zinc/28/14/38/171281438.db2.gz OMUOUCDCDHHYSS-UHFFFAOYSA-N 1 0 296.389 4.133 50 0 CIAARO Clc1ccc(C[NH2+]CCCn2ccc3ccccc32)cc1 ZINC000021508673 171309080 /nfs/dbraw/zinc/30/90/80/171309080.db2.gz NZNIQHKCAWPUFN-UHFFFAOYSA-N 1 0 298.817 4.475 50 0 CIAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000021720256 171320475 /nfs/dbraw/zinc/32/04/75/171320475.db2.gz ODRFAMHITLCGST-HNNXBMFYSA-N 1 0 290.794 4.282 50 0 CIAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1 ZINC000021720966 171320659 /nfs/dbraw/zinc/32/06/59/171320659.db2.gz TURGROVMARVTHV-MRXNPFEDSA-N 1 0 284.403 4.191 50 0 CIAARO CC(C)c1ccc(C[NH2+]CCc2ccccc2F)cc1 ZINC000021792267 171324337 /nfs/dbraw/zinc/32/43/37/171324337.db2.gz IMQDYWFHZFKMHV-UHFFFAOYSA-N 1 0 271.379 4.281 50 0 CIAARO CC[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000028428089 171558285 /nfs/dbraw/zinc/55/82/85/171558285.db2.gz DSARJEAQXMOFJA-UHFFFAOYSA-N 1 0 298.817 4.453 50 0 CIAARO Cc1ccccc1COc1cccc(C[NH2+]C(C)C)c1 ZINC000032117727 171709863 /nfs/dbraw/zinc/70/98/63/171709863.db2.gz XOPDSRUINKPKOQ-UHFFFAOYSA-N 1 0 269.388 4.072 50 0 CIAARO C[NH2+]Cc1cc(F)ccc1Oc1ccc(Cl)cc1C ZINC000037237886 173055092 /nfs/dbraw/zinc/05/50/92/173055092.db2.gz HADCWTIIKDZGAX-UHFFFAOYSA-N 1 0 279.742 4.299 50 0 CIAARO COc1ccc2ccccc2c1C[NH2+]CC1CCCC1 ZINC000037252051 173063625 /nfs/dbraw/zinc/06/36/25/173063625.db2.gz HUSJLZCEAMBNJD-UHFFFAOYSA-N 1 0 269.388 4.128 50 0 CIAARO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccc2ccccc2c1 ZINC000038095457 174108604 /nfs/dbraw/zinc/10/86/04/174108604.db2.gz ZLFKVPNSTQOQNM-KDOFPFPSSA-N 1 0 269.388 4.060 50 0 CIAARO Cc1cc(C)cc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000039985835 174181577 /nfs/dbraw/zinc/18/15/77/174181577.db2.gz HQJRXWTYWSISFZ-AWEZNQCLSA-N 1 0 271.326 4.078 50 0 CIAARO CCCCC[NH2+]Cc1cc(Cl)cc(OC)c1OCCC ZINC000040722188 174385265 /nfs/dbraw/zinc/38/52/65/174385265.db2.gz CYDNSPDNGWRZAS-UHFFFAOYSA-N 1 0 299.842 4.417 50 0 CIAARO CCCCC[NH2+]Cc1cc(Cl)cc(OC)c1OC(C)C ZINC000040728319 174387964 /nfs/dbraw/zinc/38/79/64/174387964.db2.gz HZJIVJWPPVFGFX-UHFFFAOYSA-N 1 0 299.842 4.416 50 0 CIAARO CC(C)C[NH2+]Cc1c(OC(C)C)ccc2ccccc21 ZINC000040729635 174388085 /nfs/dbraw/zinc/38/80/85/174388085.db2.gz HEIGMYIRQJZSGZ-UHFFFAOYSA-N 1 0 271.404 4.373 50 0 CIAARO CC[C@H](C)[NH2+]Cc1cccc(OCc2ccccc2C)c1 ZINC000040738292 174390077 /nfs/dbraw/zinc/39/00/77/174390077.db2.gz PSUALFRDCSYFNP-INIZCTEOSA-N 1 0 283.415 4.462 50 0 CIAARO CC(C)(C)c1ccc(O[C@@H]2CCC[NH2+]C2)c(C(C)(C)C)c1 ZINC000042774686 174872907 /nfs/dbraw/zinc/87/29/07/174872907.db2.gz OZXGUZGDVXUDIN-OAHLLOKOSA-N 1 0 289.463 4.412 50 0 CIAARO C[C@@H]([NH2+]CCn1cnc2ccccc21)c1ccccc1Cl ZINC000072271296 176354384 /nfs/dbraw/zinc/35/43/84/176354384.db2.gz DYLMNIFWLTUOLK-CYBMUJFWSA-N 1 0 299.805 4.041 50 0 CIAARO Brc1csc(C[NH2+]C2CCCCCC2)c1 ZINC000020306061 260118054 /nfs/dbraw/zinc/11/80/54/260118054.db2.gz BEWTXZXYJODHFB-UHFFFAOYSA-N 1 0 288.254 4.323 50 0 CIAARO CCCCCC[NH2+]Cc1ccccc1C(F)(F)F ZINC000020555333 260119025 /nfs/dbraw/zinc/11/90/25/260119025.db2.gz SKHUAMJDGXYNGF-UHFFFAOYSA-N 1 0 259.315 4.375 50 0 CIAARO Cc1ccsc1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000021519835 260121442 /nfs/dbraw/zinc/12/14/42/260121442.db2.gz CUAHYOCJJGRUIY-AWEZNQCLSA-N 1 0 259.418 4.167 50 0 CIAARO c1ccc([C@H]2CC[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]23)cc1 ZINC000038213562 260168987 /nfs/dbraw/zinc/16/89/87/260168987.db2.gz XOMCRCUXIXQLCN-QRWLVFNGSA-N 1 0 288.394 4.255 50 0 CIAARO CC(C)Oc1ccc(Cl)cc1C[NH2+]C1CCCC1 ZINC000040730304 260178602 /nfs/dbraw/zinc/17/86/02/260178602.db2.gz ICGGYEAZBMBKKL-UHFFFAOYSA-N 1 0 267.800 4.159 50 0 CIAARO Cc1ccc(C)c(OCCC[NH2+]C2CCCC2)c1Cl ZINC000002845036 533692355 /nfs/dbraw/zinc/69/23/55/533692355.db2.gz FHARAVGLHKKBGV-UHFFFAOYSA-N 1 0 281.827 4.258 50 0 CIAARO CC[C@@H](C)[NH2+]CCCCOc1ccc(Cl)cc1C ZINC000002823011 333056803 /nfs/dbraw/zinc/05/68/03/333056803.db2.gz BCBIOKIGGQEXNQ-CYBMUJFWSA-N 1 0 269.816 4.196 50 0 CIAARO C[C@@H]([NH2+]Cc1cncn1C)c1ccc(Cl)c2ccccc21 ZINC000185141768 335947165 /nfs/dbraw/zinc/94/71/65/335947165.db2.gz ZTBNLSWPRMUCHB-GFCCVEGCSA-N 1 0 299.805 4.078 50 0 CIAARO COc1ccc(CC[C@H](C)[NH2+]CC2CCCCC2)cc1 ZINC000004989232 523983203 /nfs/dbraw/zinc/98/32/03/523983203.db2.gz IIQMIOKGYICGNZ-HNNXBMFYSA-N 1 0 275.436 4.186 50 0 CIAARO COc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1F ZINC000241837532 525321911 /nfs/dbraw/zinc/32/19/11/525321911.db2.gz SKVZOZOOTZKTAW-JQFCIGGWSA-N 1 0 299.389 4.289 50 0 CIAARO CCCCC[NH2+]Cc1cc(Cl)cc(OC)c1OCC ZINC000010474800 567861939 /nfs/dbraw/zinc/86/19/39/567861939.db2.gz IMYHYECHCCSSFW-UHFFFAOYSA-N 1 0 285.815 4.027 50 0 CIAARO CCCCOCCC[NH2+]Cc1cccc(Cl)c1Cl ZINC000013719971 567867436 /nfs/dbraw/zinc/86/74/36/567867436.db2.gz QIHQEZFUFPHTCV-UHFFFAOYSA-N 1 0 290.234 4.290 50 0 CIAARO CC(C)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1Br ZINC000085219961 567907263 /nfs/dbraw/zinc/90/72/63/567907263.db2.gz JNVFRSVWQUWRNF-SECBINFHSA-N 1 0 290.632 4.237 50 0 CIAARO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC000083473730 566863538 /nfs/dbraw/zinc/86/35/38/566863538.db2.gz XWOVXHCQBHLQIT-STQMWFEESA-N 1 0 274.795 4.017 50 0 CIAARO C[C@H]([NH2+]Cc1ccnn1C)c1ccc(Cl)c2ccccc21 ZINC000185142070 566893367 /nfs/dbraw/zinc/89/33/67/566893367.db2.gz KUHWFVGWZQBQIE-LBPRGKRZSA-N 1 0 299.805 4.078 50 0 CIAARO COc1ccc2c(c1)[C@H](c1ccccc1)[C@@H](C(C)(C)C)[NH2+]C2 ZINC000002167257 566913966 /nfs/dbraw/zinc/91/39/66/566913966.db2.gz IJWDGSMTEMKAKE-OALUTQOASA-N 1 0 295.426 4.345 50 0 CIAARO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000015837416 566921356 /nfs/dbraw/zinc/92/13/56/566921356.db2.gz JLTHJJYFLZTOMJ-GOSISDBHSA-N 1 0 269.363 4.471 50 0 CIAARO Fc1cccc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC000015837152 566921964 /nfs/dbraw/zinc/92/19/64/566921964.db2.gz QXCFOEWISNZEHE-KRWDZBQOSA-N 1 0 273.326 4.302 50 0 CIAARO C[C@@H](Cc1ccccc1)[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC000005735318 566929998 /nfs/dbraw/zinc/92/99/98/566929998.db2.gz ISOADSNHMUZLGZ-KEDVPNTESA-N 1 0 283.459 4.424 50 0 CIAARO Cc1[nH]c2cc(C)ccc2c1C(=O)[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000245311969 566969470 /nfs/dbraw/zinc/96/94/70/566969470.db2.gz RDMLYOKFAHPRQE-UKRRQHHQSA-N 1 0 298.430 4.230 50 0 CIAARO [NH3+][C@H]1CC[C@@H](n2ccnc2-c2cccc3ccccc32)CC1 ZINC000247711948 566971769 /nfs/dbraw/zinc/97/17/69/566971769.db2.gz KEVNLKFCLUAYTA-IYBDPMFKSA-N 1 0 291.398 4.146 50 0 CIAARO Cc1cc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)c(=O)[nH]c1C ZINC000426471736 566987688 /nfs/dbraw/zinc/98/76/88/566987688.db2.gz XNQIAHSBZJURIV-HNNXBMFYSA-N 1 0 296.414 4.228 50 0 CIAARO CC(C)n1ccnc1-c1ccc([C@@H](C)[NH+]2CCCC2)cc1 ZINC000426627852 566990372 /nfs/dbraw/zinc/99/03/72/566990372.db2.gz UXLZOYXMCFJRMS-OAHLLOKOSA-N 1 0 283.419 4.288 50 0 CIAARO Clc1c2ccccc2sc1C[NH2+]CC1CC1 ZINC000037988549 566991579 /nfs/dbraw/zinc/99/15/79/566991579.db2.gz HJYDZPBHHMPJMH-UHFFFAOYSA-N 1 0 251.782 4.054 50 0 CIAARO CC(C)n1nccc1-c1ccc([C@H](C)[NH+]2CCCC2)cc1 ZINC000426734154 566992057 /nfs/dbraw/zinc/99/20/57/566992057.db2.gz SEOPQQSOZCYAIM-HNNXBMFYSA-N 1 0 283.419 4.288 50 0 CIAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc3c2CCCC3)C1 ZINC000006895112 567002110 /nfs/dbraw/zinc/00/21/10/567002110.db2.gz RHLPGVJPLXUHTK-CHWSQXEVSA-N 1 0 263.450 4.105 50 0 CIAARO CS[C@H]1CCCC[N@@H+]([C@H]2CCCc3nc(C)sc32)C1 ZINC000170604800 567013761 /nfs/dbraw/zinc/01/37/61/567013761.db2.gz ROAOUQOHGCJAGT-JSGCOSHPSA-N 1 0 296.505 4.046 50 0 CIAARO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccccc2Cl)cc1 ZINC000076082223 567029928 /nfs/dbraw/zinc/02/99/28/567029928.db2.gz PSZICKGQVHJBIS-DYVFJYSZSA-N 1 0 289.806 4.033 50 0 CIAARO COc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]2c2ccccc2)cc1F ZINC000089904692 567031118 /nfs/dbraw/zinc/03/11/18/567031118.db2.gz SKVZOZOOTZKTAW-IAOVAPTHSA-N 1 0 299.389 4.289 50 0 CIAARO Cc1cc([C@@H]([NH2+][C@H](C)c2ccccn2)C2CC2)ccc1F ZINC000271464499 567033873 /nfs/dbraw/zinc/03/38/73/567033873.db2.gz HTFGZOGLNNGATC-ACJLOTCBSA-N 1 0 284.378 4.331 50 0 CIAARO Cc1ccc(OCCCC[NH2+]CCc2ccccc2)c(C)c1 ZINC000002822376 567036445 /nfs/dbraw/zinc/03/64/45/567036445.db2.gz BBPODBOWBSFYRC-UHFFFAOYSA-N 1 0 297.442 4.295 50 0 CIAARO CCc1ccccc1OCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000002822095 567037489 /nfs/dbraw/zinc/03/74/89/567037489.db2.gz QQCIZGSXDSMYOW-INIZCTEOSA-N 1 0 275.436 4.140 50 0 CIAARO CC(C)[C@H](CC[NH2+]C[C@H]1CCOC(C)(C)C1)c1ccco1 ZINC000002098134 567042855 /nfs/dbraw/zinc/04/28/55/567042855.db2.gz IHVFADSYBVMSHU-HOTGVXAUSA-N 1 0 293.451 4.204 50 0 CIAARO Cc1cccc(-c2cncc(C[NH+]3CCCCC3)c2)c1 ZINC000037553712 567067821 /nfs/dbraw/zinc/06/78/21/567067821.db2.gz XVDWZHRILLRWNC-UHFFFAOYSA-N 1 0 266.388 4.043 50 0 CIAARO CC[NH+](CC)C[C@@H](Cc1ccccc1)OCc1ccccc1 ZINC000019908380 567087205 /nfs/dbraw/zinc/08/72/05/567087205.db2.gz QLGHPENAQBKTPL-HXUWFJFHSA-N 1 0 297.442 4.156 50 0 CIAARO CC1=C(c2ccccc2)[N+](=O)[C@@](C)(c2ccc(C)cc2)N1O ZINC000033396817 567087874 /nfs/dbraw/zinc/08/78/74/567087874.db2.gz MVBMBOWQVPXJCO-SFHVURJKSA-N 1 0 295.362 4.040 50 0 CIAARO CCC[NH+](CCC)[C@H]1CCCc2ccc(OC)cc2C1 ZINC000019898967 567088314 /nfs/dbraw/zinc/08/83/14/567088314.db2.gz VULSLMKQLJTKFU-KRWDZBQOSA-N 1 0 275.436 4.065 50 0 CIAARO CC(C)=CCC[C@H](C)[NH2+]CCCc1scnc1C ZINC000019781875 567122278 /nfs/dbraw/zinc/12/22/78/567122278.db2.gz ZHAXVJZHTXLVKM-ZDUSSCGKSA-N 1 0 266.454 4.109 50 0 CIAARO c1ccc2c(c1)C[NH+](C[C@H]1CCCOC1)Cc1ccccc1-2 ZINC000079109644 567123586 /nfs/dbraw/zinc/12/35/86/567123586.db2.gz UFMSIFLQIUWHKO-MRXNPFEDSA-N 1 0 293.410 4.096 50 0 CIAARO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC000095412244 567127775 /nfs/dbraw/zinc/12/77/75/567127775.db2.gz ICBSRZAYAKNCHD-JTQLQIEISA-N 1 0 286.400 4.357 50 0 CIAARO Cc1nccn1CCCC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000095423168 567130639 /nfs/dbraw/zinc/13/06/39/567130639.db2.gz ZXSWQLDEPMAUDR-AWEZNQCLSA-N 1 0 297.402 4.069 50 0 CIAARO Cc1ccc(C[NH2+][C@@H](C)c2c(C)nn(C(C)C)c2C)s1 ZINC000095420462 567130945 /nfs/dbraw/zinc/13/09/45/567130945.db2.gz GKBGWZWAMQYOCT-LBPRGKRZSA-N 1 0 291.464 4.302 50 0 CIAARO Cc1ccccc1C(=O)CCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000096027810 567138186 /nfs/dbraw/zinc/13/81/86/567138186.db2.gz PWXGXWMVQVIOIY-IYBDPMFKSA-N 1 0 273.420 4.221 50 0 CIAARO C[NH+](C)CCCOC1(c2ccccc2)CCCCCC1 ZINC000096026706 567138451 /nfs/dbraw/zinc/13/84/51/567138451.db2.gz CDSOXPGAQKRGBI-UHFFFAOYSA-N 1 0 275.436 4.204 50 0 CIAARO CC[NH+](CC)C[C@H](Oc1ccccc1C)c1ccccc1 ZINC000096026698 567138602 /nfs/dbraw/zinc/13/86/02/567138602.db2.gz SCMOBWDXOWNFHH-IBGZPJMESA-N 1 0 283.415 4.457 50 0 CIAARO CCCC[N@H+](CCC)[C@H]1CCc2cccc(OC)c2C1 ZINC000096026986 567139526 /nfs/dbraw/zinc/13/95/26/567139526.db2.gz YALOBKBKTDHANV-INIZCTEOSA-N 1 0 275.436 4.065 50 0 CIAARO CC(C)=CCC/C(C)=C/CC(C)(C)[C@@H]1[NH2+]CCO1 ZINC000002472225 567146992 /nfs/dbraw/zinc/14/69/92/567146992.db2.gz IUSIHBDWTHQPIA-AAWPKVBNSA-N 1 0 251.414 4.041 50 0 CIAARO c1ccc(-c2sc3[n+](c2-c2ccccc2)CCC3)cc1 ZINC000002890256 567153309 /nfs/dbraw/zinc/15/33/09/567153309.db2.gz PRFRCFHNNJERAJ-UHFFFAOYSA-N 1 0 278.400 4.316 50 0 CIAARO Clc1cccc(-c2cc(C[NH2+]C3CCCC3)on2)c1 ZINC000670469148 567193779 /nfs/dbraw/zinc/19/37/79/567193779.db2.gz DJKXSNOYAMPVNT-UHFFFAOYSA-N 1 0 276.767 4.027 50 0 CIAARO C[NH+]1CCC(=C2c3ccsc3CCc3ccccc32)CC1 ZINC000000001968 567816568 /nfs/dbraw/zinc/81/65/68/567816568.db2.gz FIADGNVRKBPQEU-UHFFFAOYSA-N 1 0 295.451 4.374 50 0 world CIAARO C[C@@H]1CCC[C@H]([NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000000221432 567822491 /nfs/dbraw/zinc/82/24/91/567822491.db2.gz OOKABKZGYLPYLO-PBHICJAKSA-N 1 0 292.854 4.041 50 0 CIAARO CCOc1cccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000000275225 567823497 /nfs/dbraw/zinc/82/34/97/567823497.db2.gz ZBPOHJUGMDJWPL-IBGZPJMESA-N 1 0 296.414 4.208 50 0 CIAARO CC[C@H]1C=C(c2ccccc2)C=C[NH+]=C1N(CC)CC ZINC000000343279 567825935 /nfs/dbraw/zinc/82/59/35/567825935.db2.gz YFBTWISULVPSAR-HNNXBMFYSA-N 1 0 268.404 4.364 50 0 CIAARO c1ccc(C[C@H](Nc2ccccn2)c2ccccc2)cc1 ZINC000000394552 567828821 /nfs/dbraw/zinc/82/88/21/567828821.db2.gz AZHQDGPVBWDKPW-SFHVURJKSA-N 1 0 274.367 4.478 50 0 CIAARO CCC[N@H+](CC)C[C@H]1COC2(CCC(C(C)(C)C)CC2)O1 ZINC000000967717 567835320 /nfs/dbraw/zinc/83/53/20/567835320.db2.gz PUYXTUJWRLOUCW-PQUAAJSLSA-N 1 0 297.483 4.066 50 0 in-vitro CIAARO Fc1ccc(SCCC[NH+]2CC3CCC(CC3)C2)cc1 ZINC000096027418 567836317 /nfs/dbraw/zinc/83/63/17/567836317.db2.gz WSDSKWSNMPQFFV-UHFFFAOYSA-N 1 0 293.451 4.430 50 0 CIAARO C[NH2+]CC[C@@H]1Sc2ccccc2Oc2ccccc21 ZINC000002021868 567844165 /nfs/dbraw/zinc/84/41/65/567844165.db2.gz KZSNBUJWVBNROD-HNNXBMFYSA-N 1 0 271.385 4.235 50 0 CIAARO C=C1c2ccccc2C[C@@H](CC[NH+](C)C)c2ccccc21 ZINC000002149887 567844887 /nfs/dbraw/zinc/84/48/87/567844887.db2.gz ODNWXHGQXNJQFP-QGZVFWFLSA-N 1 0 277.411 4.340 50 0 CIAARO CC(C)C[C@@H]([NH3+])C(c1ccccc1)c1ccccc1 ZINC000002509869 567846224 /nfs/dbraw/zinc/84/62/24/567846224.db2.gz ICJINWKVCCYYQW-QGZVFWFLSA-N 1 0 253.389 4.192 50 0 CIAARO CCCC[NH+](CCCC)[C@H](C)[C@@H](O)c1ccccc1 ZINC000002512272 567846385 /nfs/dbraw/zinc/84/63/85/567846385.db2.gz BRRGNOFUBFINSX-NVXWUHKLSA-N 1 0 263.425 4.011 50 0 CIAARO Cc1cccc(C)c1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000002515069 567846632 /nfs/dbraw/zinc/84/66/32/567846632.db2.gz YANZLJDDVUZKSS-UHFFFAOYSA-N 1 0 293.410 4.130 50 0 CIAARO Cc1ccc(C(=O)c2ccccc2C[NH+]2CCCC2)cc1C ZINC000002515566 567846659 /nfs/dbraw/zinc/84/66/59/567846659.db2.gz RENUCQNPLAHLNQ-UHFFFAOYSA-N 1 0 293.410 4.130 50 0 CIAARO c1ccc(Oc2ccc(CC3CC[NH2+]CC3)cc2)cc1 ZINC000002555457 567848236 /nfs/dbraw/zinc/84/82/36/567848236.db2.gz DJKNMWGWPJMNMM-UHFFFAOYSA-N 1 0 267.372 4.021 50 0 CIAARO CC[C@@H](C)[NH2+]CCCOc1ccc(C(C)(C)C)cc1C ZINC000002823110 567849573 /nfs/dbraw/zinc/84/95/73/567849573.db2.gz BLUHJGLGJSEQPT-OAHLLOKOSA-N 1 0 277.452 4.450 50 0 CIAARO CCCC[NH2+]CCCOc1c(Cl)cccc1Cl ZINC000002898111 567850315 /nfs/dbraw/zinc/85/03/15/567850315.db2.gz CFLZWDHPBJJDCV-UHFFFAOYSA-N 1 0 276.207 4.152 50 0 CIAARO CCCC[NH2+]CCCOc1cccc(Cl)c1Cl ZINC000002899588 567850369 /nfs/dbraw/zinc/85/03/69/567850369.db2.gz LCKMLQCVCPBQQI-UHFFFAOYSA-N 1 0 276.207 4.152 50 0 CIAARO Cc1ccc(OCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)c1 ZINC000003003941 567851259 /nfs/dbraw/zinc/85/12/59/567851259.db2.gz UIOZNEORVGOKOX-IRXDYDNUSA-N 1 0 289.463 4.440 50 0 CIAARO CCCCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000004054446 567855067 /nfs/dbraw/zinc/85/50/67/567855067.db2.gz ZJGOQWICKIRIIB-UHFFFAOYSA-N 1 0 280.843 4.042 50 0 CIAARO [NH3+]CC/C=C1/c2ccccc2CSc2ccccc21 ZINC000004567275 567858194 /nfs/dbraw/zinc/85/81/94/567858194.db2.gz ODRWNMOVHUSDRV-DHDCSXOGSA-N 1 0 267.397 4.073 50 0 CIAARO CCOc1cccc(C[NH2+]Cc2ccccc2Cl)c1 ZINC000004657527 567858970 /nfs/dbraw/zinc/85/89/70/567858970.db2.gz NSVRPOAYCZWFNE-UHFFFAOYSA-N 1 0 275.779 4.029 50 0 CIAARO C(=C/c1ccccc1)\C[NH2+][C@@H]1CCCc2ccccc21 ZINC000004346248 567863628 /nfs/dbraw/zinc/86/36/28/567863628.db2.gz FSJJBKZFODAUPN-QPGLYAHGSA-N 1 0 263.384 4.367 50 0 CIAARO COc1ccc(C[NH2+]C2CCCCC2)c2ccccc12 ZINC000013370358 567865908 /nfs/dbraw/zinc/86/59/08/567865908.db2.gz KMWIGJJYYICGDK-UHFFFAOYSA-N 1 0 269.388 4.271 50 0 CIAARO Fc1ccc(Cn2c3ccccc3nc2C2CC2)cc1 ZINC000013494380 567866413 /nfs/dbraw/zinc/86/64/13/567866413.db2.gz HHISECYQACLLTL-UHFFFAOYSA-N 1 0 266.319 4.101 50 0 CIAARO CCCC[NH2+]CCCOc1c(C)cc(C)cc1Cl ZINC000016677457 567873210 /nfs/dbraw/zinc/87/32/10/567873210.db2.gz KNHQYLYLLMMGGA-UHFFFAOYSA-N 1 0 269.816 4.115 50 0 CIAARO CC(C)c1ccc(O[C@@H](C)C[NH2+]C2CCCCC2)cc1 ZINC000019737922 567878832 /nfs/dbraw/zinc/87/88/32/567878832.db2.gz NFMRTDZTRQIDPV-HNNXBMFYSA-N 1 0 275.436 4.500 50 0 CIAARO C[C@H]([NH2+]C1CCCC1)c1ccccc1Br ZINC000019883470 567879795 /nfs/dbraw/zinc/87/97/95/567879795.db2.gz OMILHKKGDLKHFL-JTQLQIEISA-N 1 0 268.198 4.042 50 0 CIAARO Fc1ccccc1CC[NH2+]Cc1cccc2ccccc21 ZINC000019871768 567879800 /nfs/dbraw/zinc/87/98/00/567879800.db2.gz QMQDRIWAJUOEID-UHFFFAOYSA-N 1 0 279.358 4.311 50 0 CIAARO CCOc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000019921034 567880083 /nfs/dbraw/zinc/88/00/83/567880083.db2.gz VEKWQWVTJWDELP-UHFFFAOYSA-N 1 0 289.806 4.071 50 0 CIAARO c1ccc(CC[NH2+]Cc2cccc3ccccc32)cc1 ZINC000019998765 567880395 /nfs/dbraw/zinc/88/03/95/567880395.db2.gz CVKSLLNYWREMPN-UHFFFAOYSA-N 1 0 261.368 4.172 50 0 CIAARO CC[NH2+]Cc1ccccc1OCc1cccc(Cl)c1 ZINC000037702544 567880429 /nfs/dbraw/zinc/88/04/29/567880429.db2.gz KUTALLFAINNYMP-UHFFFAOYSA-N 1 0 275.779 4.029 50 0 CIAARO c1ccc([C@@H]2CC[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]23)cc1 ZINC000028567673 567883782 /nfs/dbraw/zinc/88/37/82/567883782.db2.gz XOMCRCUXIXQLCN-YWZLYKJASA-N 1 0 288.394 4.255 50 0 CIAARO Cc1ccc(C[NH2+]Cc2cccc(OC(C)C)c2)cc1 ZINC000032117819 567885850 /nfs/dbraw/zinc/88/58/50/567885850.db2.gz IUTVYHNSQRLNMT-UHFFFAOYSA-N 1 0 269.388 4.072 50 0 CIAARO CC(C)Oc1cccc(C[NH2+]Cc2ccccc2Cl)c1 ZINC000032146024 567885901 /nfs/dbraw/zinc/88/59/01/567885901.db2.gz WAIZHILWVRTGAP-UHFFFAOYSA-N 1 0 289.806 4.417 50 0 CIAARO COc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OC(C)C ZINC000032184981 567886121 /nfs/dbraw/zinc/88/61/21/567886121.db2.gz MMMWZJAOBFAHSN-OAHLLOKOSA-N 1 0 299.414 4.333 50 0 CIAARO Clc1ccc(OCC[NH+]2CCCCC2)c2ccccc12 ZINC000003683703 567888161 /nfs/dbraw/zinc/88/81/61/567888161.db2.gz XCOFBIZAOXTCPU-UHFFFAOYSA-N 1 0 289.806 4.358 50 0 CIAARO CC(C)=CCC/C(C)=C/C[N@H+](C)CCc1ccccn1 ZINC000003682118 567888256 /nfs/dbraw/zinc/88/82/56/567888256.db2.gz FPFNTAWVIXQJIP-GZTJUZNOSA-N 1 0 272.436 4.249 50 0 CIAARO Clc1cccc(OCCCCC[NH+]2CCCCC2)c1 ZINC000002880607 567888371 /nfs/dbraw/zinc/88/83/71/567888371.db2.gz YRTSPPHRKRVKOD-UHFFFAOYSA-N 1 0 281.827 4.375 50 0 CIAARO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000038002183 567890451 /nfs/dbraw/zinc/89/04/51/567890451.db2.gz QYIXTDJWYWYQCC-DTWKUNHWSA-N 1 0 276.243 4.206 50 0 CIAARO CC(C)Oc1ccc(C[NH2+]Cc2ccccc2)cc1Cl ZINC000040731014 567890776 /nfs/dbraw/zinc/89/07/76/567890776.db2.gz RDRHJINHAHVIQY-UHFFFAOYSA-N 1 0 289.806 4.417 50 0 CIAARO CC(C)(c1ccccc1)c1ccc(OC[C@H]2CC[NH2+]C2)cc1 ZINC000042773148 567891645 /nfs/dbraw/zinc/89/16/45/567891645.db2.gz HCJNLBXCKAAZJO-INIZCTEOSA-N 1 0 295.426 4.001 50 0 CIAARO CC(C)c1cc(Cl)ccc1OCCC1CC[NH2+]CC1 ZINC000042770906 567891718 /nfs/dbraw/zinc/89/17/18/567891718.db2.gz XHZWIYWVFAORNZ-UHFFFAOYSA-N 1 0 281.827 4.232 50 0 CIAARO CC(C)c1cc(Cl)ccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000042770916 567891731 /nfs/dbraw/zinc/89/17/31/567891731.db2.gz CQSWSXYEKJHAPZ-AWEZNQCLSA-N 1 0 281.827 4.374 50 0 CIAARO Clc1cc(Cl)c(OC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000042776162 567891865 /nfs/dbraw/zinc/89/18/65/567891865.db2.gz CVPBHJAHSAILSB-MRVPVSSYSA-N 1 0 294.609 4.025 50 0 CIAARO Clc1cc(Cl)c(OCC2CC[NH2+]CC2)cc1Cl ZINC000042776170 567891996 /nfs/dbraw/zinc/89/19/96/567891996.db2.gz CYSLHVUZDIHGJY-UHFFFAOYSA-N 1 0 294.609 4.025 50 0 CIAARO CCC(C)(C)c1ccc(OCC2CC[NH2+]CC2)c(Cl)c1 ZINC000042775304 567892045 /nfs/dbraw/zinc/89/20/45/567892045.db2.gz YIVVNVWFWATFTR-UHFFFAOYSA-N 1 0 295.854 4.406 50 0 CIAARO CCC(C)(C)c1ccc(OC2CC[NH2+]CC2)c(Cl)c1 ZINC000042775293 567892059 /nfs/dbraw/zinc/89/20/59/567892059.db2.gz WCHARBAQGVVZIP-UHFFFAOYSA-N 1 0 281.827 4.158 50 0 CIAARO CC[C@H](C)c1ccc(OCC2CC[NH2+]CC2)c(Cl)c1 ZINC000042775080 567892186 /nfs/dbraw/zinc/89/21/86/567892186.db2.gz QTEHUYQWZMIRTF-LBPRGKRZSA-N 1 0 281.827 4.232 50 0 CIAARO c1ncc(C[NH2+][C@@H](c2ccccc2)C2CCCC2)s1 ZINC000095425760 567894589 /nfs/dbraw/zinc/89/45/89/567894589.db2.gz IHANAHICWCRCJQ-INIZCTEOSA-N 1 0 272.417 4.164 50 0 CIAARO Fc1ccc(Cn2cc(C[NH2+]C3CC3)c3ccccc32)cc1 ZINC000057353110 567894922 /nfs/dbraw/zinc/89/49/22/567894922.db2.gz QSPYWCFMQVDVRV-UHFFFAOYSA-N 1 0 294.373 4.081 50 0 CIAARO CC[NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000057353173 567895056 /nfs/dbraw/zinc/89/50/56/567895056.db2.gz WHYYGDYOHOHAFK-UHFFFAOYSA-N 1 0 298.817 4.453 50 0 CIAARO Cc1ccccc1Cn1cc(C[NH2+]C2CC2)c2ccccc21 ZINC000057353169 567895214 /nfs/dbraw/zinc/89/52/14/567895214.db2.gz LWBKYZODGHRZAI-UHFFFAOYSA-N 1 0 290.410 4.250 50 0 CIAARO Cc1noc(C)c1C[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000058392942 567895986 /nfs/dbraw/zinc/89/59/86/567895986.db2.gz BSZZACNBISBDTF-UHFFFAOYSA-N 1 0 284.403 4.094 50 0 CIAARO CC[C@H]1CCC[N@@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000059384414 567896300 /nfs/dbraw/zinc/89/63/00/567896300.db2.gz WTUFKUGXDYGWLD-RYUDHWBXSA-N 1 0 253.336 4.148 50 0 CIAARO C[C@@H](c1ccc(-c2ccc[nH]c2=O)cc1)[NH+]1CCCCC1 ZINC000065435136 567899350 /nfs/dbraw/zinc/89/93/50/567899350.db2.gz GQULWZHXHDONEG-AWEZNQCLSA-N 1 0 282.387 4.001 50 0 CIAARO Clc1cccc(C[N@@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000065423526 567899396 /nfs/dbraw/zinc/89/93/96/567899396.db2.gz UAAOLCBFEWZOEP-INIZCTEOSA-N 1 0 272.779 4.072 50 0 CIAARO CCn1cc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)c(C)n1 ZINC000065470734 567899563 /nfs/dbraw/zinc/89/95/63/567899563.db2.gz RBFINNCHFZDYBZ-INIZCTEOSA-N 1 0 297.446 4.425 50 0 CIAARO CCc1cnc(C)nc1-c1ccc([C@@H](C)[NH+]2CCCC2)cc1 ZINC000067713254 567900211 /nfs/dbraw/zinc/90/02/11/567900211.db2.gz ZCXRIUASNULFJS-CQSZACIVSA-N 1 0 295.430 4.171 50 0 CIAARO Cn1c(-c2ccc(Cl)cc2)c[nH+]c1NCc1ccccc1 ZINC000004678699 567901356 /nfs/dbraw/zinc/90/13/56/567901356.db2.gz HWWVNARUXCXIBW-UHFFFAOYSA-N 1 0 297.789 4.353 50 0 CIAARO CC[C@H]([NH2+][C@@H](CC)c1ccc(F)cc1)c1ccncc1 ZINC000097228407 567905985 /nfs/dbraw/zinc/90/59/85/567905985.db2.gz RVPNYVJWZXUTGK-IRXDYDNUSA-N 1 0 272.367 4.413 50 0 CIAARO CC(C)[C@H](C)[NH2+]Cc1cc(Cl)ccc1Br ZINC000085219963 567907275 /nfs/dbraw/zinc/90/72/75/567907275.db2.gz JNVFRSVWQUWRNF-VIFPVBQESA-N 1 0 290.632 4.237 50 0 CIAARO COc1cccc(Nc2cc(C)[nH+]c3ccc(OC)cc23)c1 ZINC000000071667 567907648 /nfs/dbraw/zinc/90/76/48/567907648.db2.gz SOIPVJVNOBDQOL-UHFFFAOYSA-N 1 0 294.354 4.304 50 0 CIAARO [NH3+]C1CCC(Sc2c(Cl)cccc2Cl)CC1 ZINC000095908627 567909673 /nfs/dbraw/zinc/90/96/73/567909673.db2.gz ZUYJKPJETDBAMJ-UHFFFAOYSA-N 1 0 276.232 4.355 50 0 CIAARO CC[n+]1c(C=CNc2ccccc2)sc2ccccc21 ZINC000100004189 567911744 /nfs/dbraw/zinc/91/17/44/567911744.db2.gz QKBQYYCINFPLRE-UHFFFAOYSA-O 1 0 281.404 4.292 50 0 CIAARO C[N@@H+]1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000023340204 567922896 /nfs/dbraw/zinc/92/28/96/567922896.db2.gz SVMNNWFUNGOBET-INIZCTEOSA-N 1 0 295.382 4.003 50 0 CIAARO CC(C)CC[C@@](O)(CC[NH+]1CCCCC1)c1ccccc1 ZINC000000184967 567924565 /nfs/dbraw/zinc/92/45/65/567924565.db2.gz FHTWNTKDXPHJFT-LJQANCHMSA-N 1 0 289.463 4.186 50 0 CIAARO C[NH2+]Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000147994407 567931515 /nfs/dbraw/zinc/93/15/15/567931515.db2.gz MYWYDOGAVVEXMF-UHFFFAOYSA-N 1 0 281.277 4.217 50 0 CIAARO CC[C@@H](C)[NH2+]CCCOc1ccc(Cl)c(C)c1C ZINC000002822303 567932172 /nfs/dbraw/zinc/93/21/72/567932172.db2.gz VKAHDPBHKOBJDA-LLVKDONJSA-N 1 0 269.816 4.114 50 0 CIAARO CC(C)[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000010435791 567939771 /nfs/dbraw/zinc/93/97/71/567939771.db2.gz HBPVOQLKQZFOQU-UHFFFAOYSA-N 1 0 289.806 4.417 50 0 CIAARO CCOc1cc(C[NH2+]CCC2=CCCCC2)ccc1OC ZINC000013723749 567942191 /nfs/dbraw/zinc/94/21/91/567942191.db2.gz PBKVRLYQQKDEGA-UHFFFAOYSA-N 1 0 289.419 4.074 50 0 CIAARO CC(C)CC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000013724078 567942207 /nfs/dbraw/zinc/94/22/07/567942207.db2.gz UQFWQDBKLGFTGT-UHFFFAOYSA-N 1 0 283.415 4.401 50 0 CIAARO CCC(C)(C)[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000013718087 567942291 /nfs/dbraw/zinc/94/22/91/567942291.db2.gz KYWFTUJQFJYTMF-UHFFFAOYSA-N 1 0 257.377 4.127 50 0 CIAARO c1ccc2c(c1)cccc2CSC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000014196652 567942587 /nfs/dbraw/zinc/94/25/87/567942587.db2.gz KSTUIFLQOLGARF-CALCHBBNSA-N 1 0 296.439 4.343 50 0 CIAARO Clc1ccccc1C[NH2+]CCCn1ccc2ccccc21 ZINC000019230603 567944709 /nfs/dbraw/zinc/94/47/09/567944709.db2.gz DFKIYQQMAAOQDU-UHFFFAOYSA-N 1 0 298.817 4.475 50 0 CIAARO C[NH+](C)CCO[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000000284543 567944718 /nfs/dbraw/zinc/94/47/18/567944718.db2.gz CYTJSDVBPCRZFB-QGZVFWFLSA-N 1 0 289.806 4.008 50 0 CIAARO C[NH2+]Cc1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000019777226 567944896 /nfs/dbraw/zinc/94/48/96/567944896.db2.gz VROHWBZFRGRPOK-UHFFFAOYSA-N 1 0 296.197 4.292 50 0 CIAARO CSCCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000019990376 567945219 /nfs/dbraw/zinc/94/52/19/567945219.db2.gz WESUOZIOCPOPNR-UHFFFAOYSA-N 1 0 271.429 4.119 50 0 CIAARO CO[C@@H]1CC[N@H+](Cc2ccc(C3CCCCC3)s2)C1 ZINC000215935571 567947316 /nfs/dbraw/zinc/94/73/16/567947316.db2.gz WJQNDPXHCOVKHE-CQSZACIVSA-N 1 0 279.449 4.017 50 0 CIAARO Cc1ccccc1Oc1ncccc1C[NH+]1CCCCC1 ZINC000221271856 567948680 /nfs/dbraw/zinc/94/86/80/567948680.db2.gz LRRNYCJASOPBOU-UHFFFAOYSA-N 1 0 282.387 4.168 50 0 CIAARO CC(C)Cc1ccc([C@@H]([NH2+]Cc2cn[nH]c2)C(C)C)cc1 ZINC000225526195 567954063 /nfs/dbraw/zinc/95/40/63/567954063.db2.gz RHCPBCXNJVWAKU-SFHVURJKSA-N 1 0 285.435 4.095 50 0 CIAARO CCC(CC)[NH2+]Cc1cccnc1Oc1ccccc1 ZINC000011820587 570220675 /nfs/dbraw/zinc/22/06/75/570220675.db2.gz KSSRGCRZQVLIOA-UHFFFAOYSA-N 1 0 270.376 4.152 50 0 CIAARO CCCC[NH2+]CCOc1ccc(C(C)(C)C)cc1C ZINC000003460509 570278976 /nfs/dbraw/zinc/27/89/76/570278976.db2.gz DPWBEDVXDMGFNI-UHFFFAOYSA-N 1 0 263.425 4.061 50 0 CIAARO c1cnn(-c2ccc(C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)cc2)c1 ZINC000048264431 570296569 /nfs/dbraw/zinc/29/65/69/570296569.db2.gz LSWMOTYWUFMXAB-MJGOQNOKSA-N 1 0 295.430 4.027 50 0 CIAARO c1cc([C@H]2CCCO2)sc1C[N@@H+]1CCc2ccccc2C1 ZINC000223850477 570313681 /nfs/dbraw/zinc/31/36/81/570313681.db2.gz ZZOQWEIMTZNFRG-QGZVFWFLSA-N 1 0 299.439 4.158 50 0 CIAARO Cc1cc(C)c([C@@H](OCC[NH+](C)C)c2ccccc2)c(C)c1 ZINC000001999764 570326743 /nfs/dbraw/zinc/32/67/43/570326743.db2.gz CRYYVXVCECPCES-FQEVSTJZSA-N 1 0 297.442 4.279 50 0 CIAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(F)c2)cc1 ZINC000015836909 570343816 /nfs/dbraw/zinc/34/38/16/570343816.db2.gz ZYLSCHGUTDWXFM-SFHVURJKSA-N 1 0 285.362 4.171 50 0 CIAARO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000015836879 570343936 /nfs/dbraw/zinc/34/39/36/570343936.db2.gz AECYUMKKCAJWRY-GOSISDBHSA-N 1 0 251.373 4.332 50 0 CIAARO C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1cccc(O)c1 ZINC000037092631 570362413 /nfs/dbraw/zinc/36/24/13/570362413.db2.gz YEXSBSKUMNOXCG-QFWMXSHPSA-N 1 0 287.325 4.164 50 0 CIAARO Cc1cc(Cl)cc(Cl)c1OCCCC[NH+](C)C ZINC000002821991 570371449 /nfs/dbraw/zinc/37/14/49/570371449.db2.gz LMNMFISSQCMTDB-UHFFFAOYSA-N 1 0 276.207 4.022 50 0 CIAARO CCCCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000004054449 570384376 /nfs/dbraw/zinc/38/43/76/570384376.db2.gz QTPPYQBUYPBJIC-UHFFFAOYSA-N 1 0 280.843 4.042 50 0 CIAARO C[C@@H](C[NH2+][C@H](C)Cc1ccccc1)Cc1ccccc1 ZINC000670419684 570397981 /nfs/dbraw/zinc/39/79/81/570397981.db2.gz DGCRPVNKBNUNMC-IAGOWNOFSA-N 1 0 267.416 4.086 50 0 CIAARO [NH3+][C@H](Cc1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000038127086 570411582 /nfs/dbraw/zinc/41/15/82/570411582.db2.gz VVJATHWMCGHNDW-CQSZACIVSA-N 1 0 266.171 4.236 50 0 CIAARO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000095941305 185035780 /nfs/dbraw/zinc/03/57/80/185035780.db2.gz WIOMUAHOHAVADM-NEPJUHHUSA-N 1 0 272.845 4.101 50 0 CIAARO CC[C@@H](C)[C@@H](C)[NH2+]CCCCOCCc1ccccc1 ZINC000095967349 185046795 /nfs/dbraw/zinc/04/67/95/185046795.db2.gz MHYUWXPGJZIABK-IAGOWNOFSA-N 1 0 277.452 4.050 50 0 CIAARO C[C@H]([NH2+]C1CCSCC1)c1ccc(-c2ccncc2)cc1 ZINC000095968807 185047477 /nfs/dbraw/zinc/04/74/77/185047477.db2.gz VQDHADPCJFNSJF-AWEZNQCLSA-N 1 0 298.455 4.295 50 0 CIAARO CC[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(Cl)s1 ZINC000095983754 185053770 /nfs/dbraw/zinc/05/37/70/185053770.db2.gz SXOLBLVODBOWJO-MXWKQRLJSA-N 1 0 273.829 4.010 50 0 CIAARO [NH3+]C[C@@H](CCCCc1ccccc1)c1ccccc1 ZINC000096027209 185067652 /nfs/dbraw/zinc/06/76/52/185067652.db2.gz KDLLJGAKWLTYKD-GOSISDBHSA-N 1 0 253.389 4.142 50 0 CIAARO CCOC(=O)[C@H]1CCCC[N@@H+]1CC[C@H](C)CCC=C(C)C ZINC000104834683 186026857 /nfs/dbraw/zinc/02/68/57/186026857.db2.gz BMIQADKTRACVCS-IAGOWNOFSA-N 1 0 295.467 4.177 50 0 CIAARO C[C@@H]([NH2+]C[C@@H](C)c1ccsc1)c1ccsc1 ZINC000122272988 187024093 /nfs/dbraw/zinc/02/40/93/187024093.db2.gz DOKBYXSXQSFRBC-GHMZBOCLSA-N 1 0 251.420 4.264 50 0 CIAARO CCCC[C@@H](CC)C[N@@H+]1CCCN[C@]1(C)c1ccccc1 ZINC000257358973 190038287 /nfs/dbraw/zinc/03/82/87/190038287.db2.gz XSDKFZIGOKCVDM-MJGOQNOKSA-N 1 0 288.479 4.371 50 0 CIAARO CC[C@@H](C)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000000251634 169587428 /nfs/dbraw/zinc/58/74/28/169587428.db2.gz FTVPROHHZAICOH-OAHLLOKOSA-N 1 0 269.388 4.154 50 0 CIAARO Clc1ccccc1[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000019300561 256841997 /nfs/dbraw/zinc/84/19/97/256841997.db2.gz OUEVITYKERYSQH-MRXNPFEDSA-N 1 0 282.774 4.056 50 0 CIAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000001225334 169691828 /nfs/dbraw/zinc/69/18/28/169691828.db2.gz VLWUGTIBJUYQPX-OAMWCXBBSA-N 1 0 299.458 4.128 50 0 CIAARO Cc1ccc(C[NH2+][C@H](C)c2c(C)nn(C(C)C)c2C)s1 ZINC000095420463 184976194 /nfs/dbraw/zinc/97/61/94/184976194.db2.gz GKBGWZWAMQYOCT-GFCCVEGCSA-N 1 0 291.464 4.302 50 0 CIAARO Cc1ccc(C)c(N2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)c1 ZINC000004981384 134652837 /nfs/dbraw/zinc/65/28/37/134652837.db2.gz JQCRYKFJQAXIGC-MAUKXSAKSA-N 1 0 286.463 4.004 50 0 CIAARO CCCC[NH2+]CCCCCCOc1ccc(OC)cc1 ZINC000002380018 169788473 /nfs/dbraw/zinc/78/84/73/169788473.db2.gz OZVBDEQDWCDONR-UHFFFAOYSA-N 1 0 279.424 4.024 50 0 CIAARO CC[NH+](CC)CCCCOc1ccccc1C(C)(C)C ZINC000002494140 169794958 /nfs/dbraw/zinc/79/49/58/169794958.db2.gz WUXPYTACUUQTQZ-UHFFFAOYSA-N 1 0 277.452 4.485 50 0 CIAARO COc1ccc(OCCCCCC[NH+]2CCCCC2)cc1 ZINC000002880483 169840625 /nfs/dbraw/zinc/84/06/25/169840625.db2.gz FWDNMNDIZPWWFF-UHFFFAOYSA-N 1 0 291.435 4.120 50 0 CIAARO COc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1Cl ZINC000002885127 169841183 /nfs/dbraw/zinc/84/11/83/169841183.db2.gz JOPWMRDGXXNBEF-GFCCVEGCSA-N 1 0 275.779 4.199 50 0 CIAARO CCCC[NH2+]CCCCCOc1ccc(Cl)cc1 ZINC000002901235 169843008 /nfs/dbraw/zinc/84/30/08/169843008.db2.gz ROOWCGOTTJIEHX-UHFFFAOYSA-N 1 0 269.816 4.279 50 0 CIAARO CC[NH+](CC)CCCOc1ccc(C)cc1C(C)(C)C ZINC000002931718 169844644 /nfs/dbraw/zinc/84/46/44/169844644.db2.gz ILQLYDPSMUQUSM-UHFFFAOYSA-N 1 0 277.452 4.403 50 0 CIAARO CC[C@H](C)c1ccc(OCCC[NH2+]C(C)(C)C)cc1 ZINC000003000617 169848252 /nfs/dbraw/zinc/84/82/52/169848252.db2.gz AYYJOLTWVYNLRN-AWEZNQCLSA-N 1 0 263.425 4.357 50 0 CIAARO Cc1ccc(-c2[nH]c3ccccc3c2CCCC[NH3+])cc1 ZINC000003690220 169908112 /nfs/dbraw/zinc/90/81/12/169908112.db2.gz UTOSQEAUCSAJJI-UHFFFAOYSA-N 1 0 278.399 4.425 50 0 CIAARO CC(C)c1cccc(C(C)C)c1NC(=O)OCC[NH+](C)C ZINC000004794818 170018268 /nfs/dbraw/zinc/01/82/68/170018268.db2.gz BUZUVAIWKSFMLC-UHFFFAOYSA-N 1 0 292.423 4.044 50 0 CIAARO CC(C)(C)c1cc(CSC(N)=[NH2+])cc(C(C)(C)C)c1O ZINC000004827837 170025007 /nfs/dbraw/zinc/02/50/07/170025007.db2.gz KSIBSGILLHMZFN-UHFFFAOYSA-N 1 0 294.464 4.114 50 0 CIAARO O=C(CC[N@@H+]1CCCC2(CCCCC2)C1)c1ccccc1 ZINC000004888622 170036158 /nfs/dbraw/zinc/03/61/58/170036158.db2.gz QCUYEXTXBTUFAE-UHFFFAOYSA-N 1 0 285.431 4.306 50 0 CIAARO C[C@@H]([NH2+]C1CCCCC1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004964739 170046103 /nfs/dbraw/zinc/04/61/03/170046103.db2.gz ICFHFDNFOBQNTR-PGBRGIIUSA-N 1 0 289.463 4.083 50 0 CIAARO CCCCOc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000004987625 170049724 /nfs/dbraw/zinc/04/97/24/170049724.db2.gz GIHWMVAHCIUWMD-HNNXBMFYSA-N 1 0 261.409 4.097 50 0 CIAARO Clc1ccc(C[NH+]2CCCCCC2)c(Cl)c1 ZINC000004990241 170050833 /nfs/dbraw/zinc/05/08/33/170050833.db2.gz XBVXXFGVXFEPID-UHFFFAOYSA-N 1 0 258.192 4.369 50 0 CIAARO C/C=C/c1ccc(OCCC[NH2+]C2CCCC2)c(OC)c1 ZINC000005013351 170055007 /nfs/dbraw/zinc/05/50/07/170055007.db2.gz QUHMQOAHHLRDNE-XVNBXDOJSA-N 1 0 289.419 4.029 50 0 CIAARO Cc1[nH]c2cc(C)ccc2c1C(=O)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000005532753 170109948 /nfs/dbraw/zinc/10/99/48/170109948.db2.gz NUOGZNCSIVXAOD-ZIAGYGMSSA-N 1 0 298.430 4.230 50 0 CIAARO Cc1[nH]c2cc(C)ccc2c1C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000005555572 170112734 /nfs/dbraw/zinc/11/27/34/170112734.db2.gz RWSKYXGTZCYANP-DZGCQCFKSA-N 1 0 298.430 4.088 50 0 CIAARO Cc1ccccc1OCCCCC[NH+]1CCC(C)CC1 ZINC000005700008 170130284 /nfs/dbraw/zinc/13/02/84/170130284.db2.gz SMOGNHKXSFEBRP-UHFFFAOYSA-N 1 0 275.436 4.276 50 0 CIAARO Cc1ccc(O[C@@H](C)CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000005752670 170137193 /nfs/dbraw/zinc/13/71/93/170137193.db2.gz UVBPQXGSUGLCCF-SJORKVTESA-N 1 0 275.436 4.417 50 0 CIAARO CC(C)C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000005817302 170143166 /nfs/dbraw/zinc/14/31/66/170143166.db2.gz YSVNBXSYQKYEFI-UHFFFAOYSA-N 1 0 269.388 4.011 50 0 CIAARO CC[C@@H](C)[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000005907302 170153715 /nfs/dbraw/zinc/15/37/15/170153715.db2.gz KAAYIFLLVUNKHC-CQSZACIVSA-N 1 0 287.378 4.293 50 0 CIAARO C[NH+](C)CCCC(c1ccccc1)c1ccccc1 ZINC000005957503 170162049 /nfs/dbraw/zinc/16/20/49/170162049.db2.gz BDSUMBDGCUOHGR-UHFFFAOYSA-N 1 0 253.389 4.160 50 0 in-vivo CIAARO CC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000006497337 170206976 /nfs/dbraw/zinc/20/69/76/170206976.db2.gz IOFBJSYXKBZFTE-UHFFFAOYSA-N 1 0 275.779 4.029 50 0 CIAARO O=C1c2ccc3ccccc3c2CC[C@@H]1C[NH+]1CCCCC1 ZINC000006584116 170215619 /nfs/dbraw/zinc/21/56/19/170215619.db2.gz ZFUFKHDPZPXYLH-MRXNPFEDSA-N 1 0 293.410 4.071 50 0 CIAARO CC(C)(C)[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000006743145 170238369 /nfs/dbraw/zinc/23/83/69/170238369.db2.gz JKQHHLQZNJLSOQ-UHFFFAOYSA-N 1 0 263.768 4.488 50 0 CIAARO Clc1ccc(COc2ccc(C[NH2+]C3CC3)cc2)cc1 ZINC000006745158 170238874 /nfs/dbraw/zinc/23/88/74/170238874.db2.gz YUXBOHQBOZRPMP-UHFFFAOYSA-N 1 0 287.790 4.171 50 0 CIAARO CC(C)(C)[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000006882602 170252790 /nfs/dbraw/zinc/25/27/90/170252790.db2.gz NSAQBEZPKXPDKP-UHFFFAOYSA-N 1 0 269.388 4.154 50 0 CIAARO CCCC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000007261700 170273697 /nfs/dbraw/zinc/27/36/97/170273697.db2.gz UVMPEGCJOQKNDA-UHFFFAOYSA-N 1 0 269.388 4.155 50 0 CIAARO CCCC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000007261742 170273917 /nfs/dbraw/zinc/27/39/17/170273917.db2.gz RNGFGWHWEQETPE-UHFFFAOYSA-N 1 0 269.388 4.155 50 0 CIAARO CCCC[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000007261744 170273924 /nfs/dbraw/zinc/27/39/24/170273924.db2.gz LJIXNWMSLNAEQP-UHFFFAOYSA-N 1 0 287.378 4.294 50 0 CIAARO COc1ccc(C[NH2+]Cc2ccc(Cl)cc2Cl)cc1 ZINC000007538338 170290358 /nfs/dbraw/zinc/29/03/58/170290358.db2.gz FBGGJEPSTXVVRE-UHFFFAOYSA-N 1 0 296.197 4.292 50 0 CIAARO CCOc1c(Cl)cc(C[NH2+]C2CCCCC2)cc1OC ZINC000008253378 170327073 /nfs/dbraw/zinc/32/70/73/170327073.db2.gz XLOALBBWKPJWDH-UHFFFAOYSA-N 1 0 297.826 4.170 50 0 CIAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+][C@H](C)CC ZINC000008325921 170331534 /nfs/dbraw/zinc/33/15/34/170331534.db2.gz OFTWSJKAWNCCOP-SECBINFHSA-N 1 0 276.207 4.280 50 0 CIAARO CSc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000008535336 170339110 /nfs/dbraw/zinc/33/91/10/170339110.db2.gz TWFSYXJZNZOKTI-CYBMUJFWSA-N 1 0 257.402 4.259 50 0 CIAARO Cc1[nH]c2ccccc2c(=O)c1C[N@@H+](C)C1CCCCC1 ZINC000008691922 170345971 /nfs/dbraw/zinc/34/59/71/170345971.db2.gz DNZQLSCGSOLHMB-UHFFFAOYSA-N 1 0 284.403 4.013 50 0 CIAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000008710148 170348329 /nfs/dbraw/zinc/34/83/29/170348329.db2.gz RGJKXICTFNZMFK-OAHLLOKOSA-N 1 0 291.398 4.236 50 0 CIAARO CCCC[N@H+](C)Cc1c(C)[nH]c2ccc(CC)cc2c1=O ZINC000008714068 170348405 /nfs/dbraw/zinc/34/84/05/170348405.db2.gz BAGAPHDXZHWPNK-UHFFFAOYSA-N 1 0 286.419 4.043 50 0 CIAARO Cc1cc(C)c2c(c1)[nH]c(C)c(C[NH+]1CCCCCC1)c2=O ZINC000008717412 170349278 /nfs/dbraw/zinc/34/92/78/170349278.db2.gz QBHBYTRWEVHFCU-UHFFFAOYSA-N 1 0 298.430 4.242 50 0 CIAARO Cc1ccc2c(=O)c(C[N@H+]3CCCC[C@@H]3C)c(C)[nH]c2c1C ZINC000009601772 170382608 /nfs/dbraw/zinc/38/26/08/170382608.db2.gz LCJVDOPYRSAAHW-ZDUSSCGKSA-N 1 0 298.430 4.240 50 0 CIAARO Cc1cccc(C[NH2+][C@H](C)CCc2ccccc2)c1 ZINC000019992339 170962928 /nfs/dbraw/zinc/96/29/28/170962928.db2.gz WYCPJFGXGAVCAG-MRXNPFEDSA-N 1 0 253.389 4.106 50 0 CIAARO FC(F)(F)c1ccc([C@H]2[NH2+]CCc3sccc32)cc1 ZINC000020223806 171086829 /nfs/dbraw/zinc/08/68/29/171086829.db2.gz KIPRTQNWIXZVKX-CYBMUJFWSA-N 1 0 283.318 4.002 50 0 CIAARO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000020523304 171235828 /nfs/dbraw/zinc/23/58/28/171235828.db2.gz ZLDFRHYSKSVRAJ-QWRGUYRKSA-N 1 0 270.214 4.144 50 0 CIAARO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000020523306 171235956 /nfs/dbraw/zinc/23/59/56/171235956.db2.gz ZLDFRHYSKSVRAJ-WDEREUQCSA-N 1 0 270.214 4.144 50 0 CIAARO CC(C)[C@H](C)[NH2+][C@H](C)c1ccccc1Br ZINC000020523203 171235997 /nfs/dbraw/zinc/23/59/97/171235997.db2.gz XJAPQHHCMRESGA-WDEREUQCSA-N 1 0 270.214 4.144 50 0 CIAARO CC[C@H](C)[NH2+]Cc1cccc(OCc2ccc(C)cc2)c1 ZINC000020874470 171277313 /nfs/dbraw/zinc/27/73/13/171277313.db2.gz NZIQEBQBGVXUIB-INIZCTEOSA-N 1 0 283.415 4.462 50 0 CIAARO CCC[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000020873727 171277356 /nfs/dbraw/zinc/27/73/56/171277356.db2.gz RITYQDIXITWWRE-UHFFFAOYSA-N 1 0 269.388 4.074 50 0 CIAARO CCC[NH2+]Cc1cccc(OCc2ccc(C)cc2)c1 ZINC000020874462 171277438 /nfs/dbraw/zinc/27/74/38/171277438.db2.gz ZAOMCFZXCKBILX-UHFFFAOYSA-N 1 0 269.388 4.074 50 0 CIAARO CC[C@@H](C)[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000020873733 171277496 /nfs/dbraw/zinc/27/74/96/171277496.db2.gz OIPILEDQQVEKSI-MRXNPFEDSA-N 1 0 283.415 4.462 50 0 CIAARO CCCOc1cccc(C[NH2+][C@H](C)c2ccccc2)c1 ZINC000020924767 171279887 /nfs/dbraw/zinc/27/98/87/171279887.db2.gz JIHLTKAJSDVBLH-OAHLLOKOSA-N 1 0 269.388 4.326 50 0 CIAARO CCCOc1c(Cl)cc(C[NH2+][C@H](C)CC)cc1OC ZINC000020931507 171280890 /nfs/dbraw/zinc/28/08/90/171280890.db2.gz AHSVCFLKQXMLNS-LLVKDONJSA-N 1 0 285.815 4.026 50 0 CIAARO COc1ccccc1C[NH2+]CCCCCCC(C)C ZINC000021031374 171291999 /nfs/dbraw/zinc/29/19/99/171291999.db2.gz AJZVQIJELOEBQL-UHFFFAOYSA-N 1 0 263.425 4.391 50 0 CIAARO C[C@H]1c2cccn2CC[N@H+]1Cc1cccc2ccccc21 ZINC000021579348 171317151 /nfs/dbraw/zinc/31/71/51/171317151.db2.gz GIFHONHHXVOEJK-HNNXBMFYSA-N 1 0 276.383 4.218 50 0 CIAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000021720936 171320455 /nfs/dbraw/zinc/32/04/55/171320455.db2.gz BMAQODCFOXMGAJ-HNNXBMFYSA-N 1 0 288.366 4.022 50 0 CIAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000021720777 171321139 /nfs/dbraw/zinc/32/11/39/171321139.db2.gz VRPLWUNRLHUTFA-OAHLLOKOSA-N 1 0 288.366 4.022 50 0 CIAARO CCOc1ccc(Cl)cc1C[NH2+]CCc1ccccc1 ZINC000022074360 171352074 /nfs/dbraw/zinc/35/20/74/171352074.db2.gz FFDMYPMSELTNGX-UHFFFAOYSA-N 1 0 289.806 4.071 50 0 CIAARO COc1ccccc1C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000034995475 171923506 /nfs/dbraw/zinc/92/35/06/171923506.db2.gz CGSFXJQDMVYZQK-ZMSDIMECSA-N 1 0 273.420 4.144 50 0 CIAARO CC(C)[NH2+]Cc1c(OC(C)C)ccc2ccccc21 ZINC000035630710 172311930 /nfs/dbraw/zinc/31/19/30/172311930.db2.gz CLXXYBOUCVULFU-UHFFFAOYSA-N 1 0 257.377 4.125 50 0 CIAARO CCC[NH2+]Cc1c(OC(C)C)ccc2ccccc21 ZINC000035630692 172312265 /nfs/dbraw/zinc/31/22/65/172312265.db2.gz XPXCGYJABKTARE-UHFFFAOYSA-N 1 0 257.377 4.127 50 0 CIAARO C[C@H]([NH2+]C1CCCCC1)c1ccc(Br)s1 ZINC000038001591 173964796 /nfs/dbraw/zinc/96/47/96/173964796.db2.gz KRKONIHWPKPMDY-VIFPVBQESA-N 1 0 288.254 4.494 50 0 CIAARO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccc2ccccc2c1 ZINC000038095459 174109235 /nfs/dbraw/zinc/10/92/35/174109235.db2.gz ZLFKVPNSTQOQNM-RDTXWAMCSA-N 1 0 269.388 4.060 50 0 CIAARO C[NH2+]Cc1ccc(Cl)cc1Oc1ccc(F)c(C)c1 ZINC000040379822 174250335 /nfs/dbraw/zinc/25/03/35/174250335.db2.gz KUWISOBIRVPNDN-UHFFFAOYSA-N 1 0 279.742 4.299 50 0 CIAARO Clc1ccccc1-c1ccc(C[NH2+]Cc2ccncc2)o1 ZINC000040721939 174385129 /nfs/dbraw/zinc/38/51/29/174385129.db2.gz DCVRGVLYJUGARW-UHFFFAOYSA-N 1 0 298.773 4.285 50 0 CIAARO CCCCC[NH2+]Cc1ccc(OC(C)C)c(OCC)c1 ZINC000040728700 174388432 /nfs/dbraw/zinc/38/84/32/174388432.db2.gz SXFWSNYLIUSAIZ-UHFFFAOYSA-N 1 0 279.424 4.152 50 0 CIAARO CC[C@@H](C)[NH2+]Cc1cccc(OCc2cccc(C)c2)c1 ZINC000040738117 174389933 /nfs/dbraw/zinc/38/99/33/174389933.db2.gz GYHFNVDTFMKVAN-MRXNPFEDSA-N 1 0 283.415 4.462 50 0 CIAARO Cc1ccc(OCC[C@@H]2CCC[NH2+]C2)c(C(C)(C)C)c1 ZINC000042771259 174871098 /nfs/dbraw/zinc/87/10/98/174871098.db2.gz UNTXIWDAKSTBDO-HNNXBMFYSA-N 1 0 275.436 4.061 50 0 CIAARO CCCn1cc(C[NH2+]Cc2ccccc2)c2ccccc21 ZINC000045945180 175387989 /nfs/dbraw/zinc/38/79/89/175387989.db2.gz UNDVUFVGGMQGRP-UHFFFAOYSA-N 1 0 278.399 4.341 50 0 CIAARO CC[C@H](C)[N@H+](Cc1ccc(NC(C)=O)cc1)C1CCCC1 ZINC000063882391 175689769 /nfs/dbraw/zinc/68/97/69/175689769.db2.gz FCVFYCFVYPWLOZ-AWEZNQCLSA-N 1 0 288.435 4.188 50 0 CIAARO CC[C@H](C)[N@H+](Cc1ccnc(C(C)C)n1)C1CCCC1 ZINC000065507693 175745354 /nfs/dbraw/zinc/74/53/54/175745354.db2.gz INZGOMLPLBFFIU-AWEZNQCLSA-N 1 0 275.440 4.143 50 0 CIAARO Cc1cccc(C[NH2+]CC(C)(C)N[C@@H](C)c2ccccc2)c1 ZINC000078725194 177376645 /nfs/dbraw/zinc/37/66/45/177376645.db2.gz HQKDRAXXNDMNRW-KRWDZBQOSA-N 1 0 296.458 4.214 50 0 CIAARO CC[C@H](C)[NH2+]CCCCOc1ccc(Cl)cc1C ZINC000002823012 333056870 /nfs/dbraw/zinc/05/68/70/333056870.db2.gz BCBIOKIGGQEXNQ-ZDUSSCGKSA-N 1 0 269.816 4.196 50 0 CIAARO C(=C/c1ccccc1)\C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000012206381 518370867 /nfs/dbraw/zinc/37/08/67/518370867.db2.gz ABRZVFVJDZJSCD-OEMHODTASA-N 1 0 292.426 4.276 50 0 CIAARO CC1CC[NH+](CCCCOc2ccc(Cl)cc2)CC1 ZINC000002954229 528236952 /nfs/dbraw/zinc/23/69/52/528236952.db2.gz FCWNKOGXGZOGSO-UHFFFAOYSA-N 1 0 281.827 4.231 50 0 CIAARO CC[C@@H](C)c1ccc(OCCC[NH2+]C(C)(C)C)cc1 ZINC000003000616 570278354 /nfs/dbraw/zinc/27/83/54/570278354.db2.gz AYYJOLTWVYNLRN-CQSZACIVSA-N 1 0 263.425 4.357 50 0 CIAARO CC1(C)c2ccccc2C(c2ccccc2)[N+](=O)C1(C)C ZINC000253589927 566831789 /nfs/dbraw/zinc/83/17/89/566831789.db2.gz OFBJAIWLBFVGTJ-UHFFFAOYSA-N 1 0 279.383 4.104 50 0 CIAARO CC1=CC(=C2Nc3ccc(F)cc3N2C(C)C)C=CC1=[NH2+] ZINC000052125003 566834979 /nfs/dbraw/zinc/83/49/79/566834979.db2.gz FVMIULYMSBCPPA-AAFSMTHXSA-N 1 0 283.350 4.213 50 0 CIAARO C[C@H]([NH2+]Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000003897588 566853006 /nfs/dbraw/zinc/85/30/06/566853006.db2.gz PTVBPNGTMMKRJB-DHBQWTBNSA-N 1 0 269.432 4.381 50 0 CIAARO COc1cccc([C@@H](C)[NH2+]CC2(c3ccccc3)CC2)c1 ZINC000084656245 566885082 /nfs/dbraw/zinc/88/50/82/566885082.db2.gz WBLJEOBNQZEEFG-OAHLLOKOSA-N 1 0 281.399 4.078 50 0 CIAARO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000015837473 566921573 /nfs/dbraw/zinc/92/15/73/566921573.db2.gz WHUFDJPJXBPNDI-GOSISDBHSA-N 1 0 285.362 4.171 50 0 CIAARO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000015837300 566921942 /nfs/dbraw/zinc/92/19/42/566921942.db2.gz WERCJBNQDWXNRP-GOSISDBHSA-N 1 0 269.363 4.471 50 0 CIAARO C[C@H](Cc1nc2ccccc2s1)[N@H+](C)Cc1ccccc1 ZINC000075105645 566936013 /nfs/dbraw/zinc/93/60/13/566936013.db2.gz SIZCYTNAGWQBCJ-CQSZACIVSA-N 1 0 296.439 4.359 50 0 CIAARO C[NH+]1CCC(=C2c3cc(Cl)ccc3OCC2(C)C)CC1 ZINC000075260759 566940016 /nfs/dbraw/zinc/94/00/16/566940016.db2.gz DSHVBSFZSJBKHB-UHFFFAOYSA-N 1 0 291.822 4.238 50 0 CIAARO Clc1cc(C[N@H+](CC2CCCCC2)C2CC2)ccn1 ZINC000060320329 566954147 /nfs/dbraw/zinc/95/41/47/566954147.db2.gz SDJRHQHZLWMRFZ-UHFFFAOYSA-N 1 0 278.827 4.280 50 0 CIAARO CCC[C@@H]1[C@H](O)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000239433970 566966899 /nfs/dbraw/zinc/96/68/99/566966899.db2.gz YVHNHXUETQZHOA-WCIQWLHISA-N 1 0 295.426 4.240 50 0 CIAARO C[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@H](C)[C@@]1(C)O ZINC000245232147 566969070 /nfs/dbraw/zinc/96/90/70/566969070.db2.gz PPULLACTYCCYOK-DGWIIEBVSA-N 1 0 295.426 4.095 50 0 CIAARO C[C@H](c1ccc(-c2ccc3cc[nH]c(=O)c3c2)cc1)[NH+](C)C ZINC000426571338 566989004 /nfs/dbraw/zinc/98/90/04/566989004.db2.gz BHUPUJJFBDRQOE-CYBMUJFWSA-N 1 0 292.382 4.230 50 0 CIAARO C[C@@H](c1ccc(-c2ccc3cc[nH]c(=O)c3c2)cc1)[NH+](C)C ZINC000426571339 566989372 /nfs/dbraw/zinc/98/93/72/566989372.db2.gz BHUPUJJFBDRQOE-ZDUSSCGKSA-N 1 0 292.382 4.230 50 0 CIAARO c1sc2c(c1C[N@@H+]1CCc3ccccc3C1)CCCC2 ZINC000006895104 567002124 /nfs/dbraw/zinc/00/21/24/567002124.db2.gz QXVFBIDLJKZURQ-UHFFFAOYSA-N 1 0 283.440 4.185 50 0 CIAARO C[C@@H](c1cccc(-c2ccc3c(c2)CCC3=O)c1)[NH+](C)C ZINC000065408956 567007613 /nfs/dbraw/zinc/00/76/13/567007613.db2.gz MZGLIUNKDSFPRP-ZDUSSCGKSA-N 1 0 279.383 4.105 50 0 CIAARO C[C@@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1ccccc1Cl ZINC000170604727 567013559 /nfs/dbraw/zinc/01/35/59/567013559.db2.gz PLZAKIAGEDLMDV-KGLIPLIRSA-N 1 0 293.838 4.482 50 0 CIAARO CC(=O)Nc1ccccc1C[N@@H+](Cc1ccccc1)C(C)C ZINC000089869629 567027335 /nfs/dbraw/zinc/02/73/35/567027335.db2.gz ZCYYCXUOWJGNNV-UHFFFAOYSA-N 1 0 296.414 4.056 50 0 CIAARO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccccc2Cl)cc1 ZINC000076082217 567030335 /nfs/dbraw/zinc/03/03/35/567030335.db2.gz PSZICKGQVHJBIS-CXAGYDPISA-N 1 0 289.806 4.033 50 0 CIAARO CC[C@@H](C)[NH2+]CCCCOc1ccccc1C(C)C ZINC000002823304 567037157 /nfs/dbraw/zinc/03/71/57/567037157.db2.gz HUOYGPZDIOOWNE-OAHLLOKOSA-N 1 0 263.425 4.357 50 0 CIAARO CC[C@H](C)[NH2+]CCCOc1ccc(C(C)C)c(C)c1 ZINC000002823552 567037384 /nfs/dbraw/zinc/03/73/84/567037384.db2.gz HFFXQGMMPKMNAJ-HNNXBMFYSA-N 1 0 263.425 4.275 50 0 CIAARO CC(C)[C@@H](CC[NH2+]Cc1ccco1)[C@@H]1CCOC(C)(C)C1 ZINC000002107562 567044086 /nfs/dbraw/zinc/04/40/86/567044086.db2.gz HNVRQBGJTGWGDS-NVXWUHKLSA-N 1 0 293.451 4.237 50 0 CIAARO c1ccc(C[C@H]([NH2+]CC[C@@H]2CCCO2)c2ccccc2)cc1 ZINC000170640683 567044781 /nfs/dbraw/zinc/04/47/81/567044781.db2.gz YVCRYZYAWVAHCD-PMACEKPBSA-N 1 0 295.426 4.129 50 0 CIAARO Cc1cc(C)[n+]2c3ccccc3sc2c1-c1ccccn1 ZINC000000523359 567056114 /nfs/dbraw/zinc/05/61/14/567056114.db2.gz QYWZFGDDQVNOEB-UHFFFAOYSA-N 1 0 291.399 4.319 50 0 CIAARO CSc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000194835522 567068046 /nfs/dbraw/zinc/06/80/46/567068046.db2.gz LSSSOPXOKXTOHO-CHWSQXEVSA-N 1 0 272.417 4.215 50 0 CIAARO CCCC[C@@H]1C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@]2(C)C1 ZINC000004026472 567073807 /nfs/dbraw/zinc/07/38/07/567073807.db2.gz XFRKOROYPDUFGL-IFXJQAMLSA-N 1 0 282.431 4.451 50 0 CIAARO [NH3+]CC[C@H](Cc1ccccc1)c1ccc(Cl)cc1 ZINC000002347482 567099004 /nfs/dbraw/zinc/09/90/04/567099004.db2.gz AFKTVERPSWBIBL-OAHLLOKOSA-N 1 0 259.780 4.015 50 0 CIAARO COc1cccc2cc([C@H](C)[NH2+][C@H](C)c3ccncc3)oc21 ZINC000095349347 567127719 /nfs/dbraw/zinc/12/77/19/567127719.db2.gz QYEVHOHWFZLBBW-OLZOCXBDSA-N 1 0 296.370 4.248 50 0 CIAARO CC[C@@H](C)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000095410289 567128492 /nfs/dbraw/zinc/12/84/92/567128492.db2.gz XGXWRZDJAAIVPJ-CYBMUJFWSA-N 1 0 293.838 4.281 50 0 CIAARO Cc1csc(C2([NH2+]CC3CCCCC3)CCCC2)n1 ZINC000095405711 567129471 /nfs/dbraw/zinc/12/94/71/567129471.db2.gz MJDXNXVRUYZXGD-UHFFFAOYSA-N 1 0 278.465 4.391 50 0 CIAARO COc1cc([C@H](C)[NH2+]Cc2ccsc2)ccc1SC ZINC000095420296 567130698 /nfs/dbraw/zinc/13/06/98/567130698.db2.gz RAFDELSWQZSACE-NSHDSACASA-N 1 0 293.457 4.329 50 0 CIAARO CC(C)C[C@H]([NH2+]Cc1cccs1)c1ccccn1 ZINC000095419349 567132346 /nfs/dbraw/zinc/13/23/46/567132346.db2.gz DAKLFZAZOFPLMU-HNNXBMFYSA-N 1 0 260.406 4.020 50 0 CIAARO Cc1cccnc1C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000095466868 567135740 /nfs/dbraw/zinc/13/57/40/567135740.db2.gz RFNMAXWLXDNPSR-SFHVURJKSA-N 1 0 296.389 4.255 50 0 CIAARO C[N@@H+]1CCCC[C@H]1C1(c2ccccc2)CCCCC1 ZINC000096027010 567138316 /nfs/dbraw/zinc/13/83/16/567138316.db2.gz KJFNUMVYIPSFHG-KRWDZBQOSA-N 1 0 257.421 4.373 50 0 CIAARO O=C(CC[NH+]1CCCCC1)C1(c2ccccc2)CCCCC1 ZINC000096028107 567138565 /nfs/dbraw/zinc/13/85/65/567138565.db2.gz RKOGFJYXQNPWLX-UHFFFAOYSA-N 1 0 299.458 4.334 50 0 CIAARO CC1(C)C[NH+](Cc2ccc(Cl)cc2)CC1(C)C ZINC000096026604 567138591 /nfs/dbraw/zinc/13/85/91/567138591.db2.gz RYMKAZDQXTYYNA-UHFFFAOYSA-N 1 0 251.801 4.208 50 0 CIAARO CCC[N+](CCC)=C1C=C(N2CCCC2)CC(C)(C)C1 ZINC000003181372 567163439 /nfs/dbraw/zinc/16/34/39/567163439.db2.gz QLEYAENRHBCCLS-UHFFFAOYSA-N 1 0 277.476 4.060 50 0 CIAARO Cc1c(Cl)ccc(OCCC[NH+]2CCC(C)CC2)c1C ZINC000003247103 567165682 /nfs/dbraw/zinc/16/56/82/567165682.db2.gz VHTNZSGMALHTFJ-UHFFFAOYSA-N 1 0 295.854 4.458 50 0 CIAARO CCCCC[C@](O)(CC[NH+]1CCCCC1)c1ccccc1 ZINC000004141794 567189378 /nfs/dbraw/zinc/18/93/78/567189378.db2.gz YVXSRHQVFNFYBI-IBGZPJMESA-N 1 0 289.463 4.331 50 0 CIAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)CC(C)C ZINC000069509295 567200081 /nfs/dbraw/zinc/20/00/81/567200081.db2.gz GKZYIGVECVWTNV-OAHLLOKOSA-N 1 0 299.462 4.072 50 0 CIAARO COc1ccc(Nc2c3c([nH+]c4ccccc42)CCC3)cc1 ZINC000000122877 567819043 /nfs/dbraw/zinc/81/90/43/567819043.db2.gz SZXONIJERUCDDL-UHFFFAOYSA-N 1 0 290.366 4.476 50 0 CIAARO Cc1[nH]c2ccccc2c1C[N@@H+]1CCc2ccccc2C1 ZINC000000240011 567822786 /nfs/dbraw/zinc/82/27/86/567822786.db2.gz WMFJSKHHIFCGEM-UHFFFAOYSA-N 1 0 276.383 4.035 50 0 aggregator CIAARO Cc1ccc2c(c1)sc[n+]2Cc1ccc(Cl)cc1 ZINC000000272555 567823480 /nfs/dbraw/zinc/82/34/80/567823480.db2.gz XSWQTZGTWUFSLC-UHFFFAOYSA-N 1 0 274.796 4.199 50 0 CIAARO C[n+]1ccc(CCSc2ccc(C(C)(C)C)cc2)cc1 ZINC000000270974 567823572 /nfs/dbraw/zinc/82/35/72/567823572.db2.gz LINDWAXBDCDPTM-UHFFFAOYSA-N 1 0 286.464 4.143 50 0 CIAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3[C@H]1CC=C(C)CC1 ZINC000000386495 567828375 /nfs/dbraw/zinc/82/83/75/567828375.db2.gz CBURKUOQISWBOD-SCLBCKFNSA-N 1 0 296.414 4.110 50 0 CIAARO c1ccc(C[C@@H](Nc2ccccn2)c2ccccc2)cc1 ZINC000000394553 567828674 /nfs/dbraw/zinc/82/86/74/567828674.db2.gz AZHQDGPVBWDKPW-GOSISDBHSA-N 1 0 274.367 4.478 50 0 CIAARO Cc1ccc(C(=O)CC[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000001176725 567836301 /nfs/dbraw/zinc/83/63/01/567836301.db2.gz LVBMKDRLKLAHAO-LJQANCHMSA-N 1 0 293.410 4.057 50 0 CIAARO Cc1ccc(C(=O)CC[N@@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000001176727 567836365 /nfs/dbraw/zinc/83/63/65/567836365.db2.gz LVBMKDRLKLAHAO-IBGZPJMESA-N 1 0 293.410 4.057 50 0 CIAARO C[NH2+]CC/C=C1/c2ccccc2CSc2ccccc21 ZINC000002040294 567843890 /nfs/dbraw/zinc/84/38/90/567843890.db2.gz FTELXJYVTOFJAI-YBEGLDIGSA-N 1 0 281.424 4.334 50 0 in-vitro CIAARO C=C1c2ccccc2C[C@H](CC[NH+](C)C)c2ccccc21 ZINC000002149885 567844922 /nfs/dbraw/zinc/84/49/22/567844922.db2.gz ODNWXHGQXNJQFP-KRWDZBQOSA-N 1 0 277.411 4.340 50 0 CIAARO CC[NH+](CC)CCCCOc1cccc2ccccc21 ZINC000002494168 567845772 /nfs/dbraw/zinc/84/57/72/567845772.db2.gz MTINVPIAAVMARJ-UHFFFAOYSA-N 1 0 271.404 4.341 50 0 CIAARO Cc1nc2c3ccccc3n(CC[NH+]3CCCCC3)c2s1 ZINC000002434224 567845790 /nfs/dbraw/zinc/84/57/90/567845790.db2.gz HZXPHPDZJOIGJY-UHFFFAOYSA-N 1 0 299.443 4.045 50 0 CIAARO O=C(c1cccc(C[NH+]2CCCCC2)c1)C1CCCC1 ZINC000002515040 567846205 /nfs/dbraw/zinc/84/62/05/567846205.db2.gz DDBFOLNWQQHJQR-UHFFFAOYSA-N 1 0 271.404 4.045 50 0 CIAARO CC(C)C[C@H]([NH3+])C(c1ccccc1)c1ccccc1 ZINC000002506620 567846265 /nfs/dbraw/zinc/84/62/65/567846265.db2.gz ICJINWKVCCYYQW-KRWDZBQOSA-N 1 0 253.389 4.192 50 0 CIAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1Cl ZINC000002514574 567846323 /nfs/dbraw/zinc/84/63/23/567846323.db2.gz PYZCZLHRQATHQA-UHFFFAOYSA-N 1 0 299.801 4.167 50 0 CIAARO CCCC[NH+](CCCC)[C@@H](C)[C@H](O)c1ccccc1 ZINC000002512269 567846341 /nfs/dbraw/zinc/84/63/41/567846341.db2.gz BRRGNOFUBFINSX-RDJZCZTQSA-N 1 0 263.425 4.011 50 0 CIAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)C1CCCCC1 ZINC000002514540 567846446 /nfs/dbraw/zinc/84/64/46/567846446.db2.gz HLIKRRNRSBSPSA-UHFFFAOYSA-N 1 0 285.431 4.436 50 0 CIAARO O=C(c1ccccc1Cl)c1ccccc1C[NH+]1CCCC1 ZINC000002515571 567846627 /nfs/dbraw/zinc/84/66/27/567846627.db2.gz QRKDAYZDYXHLLF-UHFFFAOYSA-N 1 0 299.801 4.167 50 0 CIAARO O=C(c1ccc(Cl)cc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000002515063 567846829 /nfs/dbraw/zinc/84/68/29/567846829.db2.gz MRRNARDORVBBQM-UHFFFAOYSA-N 1 0 299.801 4.167 50 0 CIAARO Cc1ccc(C(=O)c2ccccc2C[NH+]2CCCCC2)cc1 ZINC000002515490 567846849 /nfs/dbraw/zinc/84/68/49/567846849.db2.gz UXRHTBIEVGTUQY-UHFFFAOYSA-N 1 0 293.410 4.212 50 0 CIAARO CC[NH+](CC)CCCCCOc1ccccc1Cl ZINC000002880617 567850230 /nfs/dbraw/zinc/85/02/30/567850230.db2.gz JVAUIGFOENFNCC-UHFFFAOYSA-N 1 0 269.816 4.231 50 0 CIAARO CCCC[NH2+]CCCCOc1ccc2ccccc2c1 ZINC000002899458 567850252 /nfs/dbraw/zinc/85/02/52/567850252.db2.gz LCZHBDXPPCEEJL-UHFFFAOYSA-N 1 0 271.404 4.389 50 0 CIAARO CCCC[NH2+]CCCCCOc1ccccc1CC ZINC000002899188 567850360 /nfs/dbraw/zinc/85/03/60/567850360.db2.gz BSUITBAMJSXBNZ-UHFFFAOYSA-N 1 0 263.425 4.188 50 0 CIAARO CC1CC[NH+](CCCCOc2ccccc2Cl)CC1 ZINC000002956469 567850605 /nfs/dbraw/zinc/85/06/05/567850605.db2.gz OEPPEXBKAFROQZ-UHFFFAOYSA-N 1 0 281.827 4.231 50 0 CIAARO CC[C@H](C)c1ccccc1OCCC[NH+]1CCCC1 ZINC000003461634 567852833 /nfs/dbraw/zinc/85/28/33/567852833.db2.gz MIIYKQMYRWWELQ-HNNXBMFYSA-N 1 0 261.409 4.065 50 0 CIAARO Oc1ccc(SCCCCC[NH+]2CCCCC2)cc1 ZINC000003683960 567853686 /nfs/dbraw/zinc/85/36/86/567853686.db2.gz HUORVIOZCVZYFD-UHFFFAOYSA-N 1 0 279.449 4.141 50 0 CIAARO CC(C)(C)[C@H]1C[N@@H+](C(C)(C)C)C[C@](O)(c2ccccc2)C1 ZINC000004030952 567854858 /nfs/dbraw/zinc/85/48/58/567854858.db2.gz JXFJOPCGNKFADS-APWZRJJASA-N 1 0 289.463 4.041 50 0 CIAARO COc1cc(C)c(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1C ZINC000004030756 567855119 /nfs/dbraw/zinc/85/51/19/567855119.db2.gz VJSOPGUGJDQMRY-UHFFFAOYSA-N 1 0 299.458 4.370 50 0 CIAARO CCc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000004657399 567859002 /nfs/dbraw/zinc/85/90/02/567859002.db2.gz RZYOTHFJIPZTDZ-UHFFFAOYSA-N 1 0 269.432 4.163 50 0 CIAARO CCOc1c(Cl)cc(C[NH2+][C@H](C)CC)cc1Cl ZINC000010474931 567861967 /nfs/dbraw/zinc/86/19/67/567861967.db2.gz CHTSEULQIZZXPZ-SECBINFHSA-N 1 0 276.207 4.280 50 0 CIAARO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012020482 567862306 /nfs/dbraw/zinc/86/23/06/567862306.db2.gz GDEQIVLBTYOERC-CQSZACIVSA-N 1 0 291.822 4.177 50 0 CIAARO O=C(c1cccc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000012023203 567862408 /nfs/dbraw/zinc/86/24/08/567862408.db2.gz YZZZCDZBYLHNLN-INIZCTEOSA-N 1 0 293.410 4.287 50 0 CIAARO O=C(C[NH+]1CCCCCCC1)Nc1cccc2ccccc21 ZINC000013140935 567865339 /nfs/dbraw/zinc/86/53/39/567865339.db2.gz NTOKROCDBZRCEG-UHFFFAOYSA-N 1 0 296.414 4.044 50 0 CIAARO CCOc1ccccc1C[NH2+]CCC1=CCCCC1 ZINC000013717975 567867412 /nfs/dbraw/zinc/86/74/12/567867412.db2.gz WLHDSWQANJGLJY-UHFFFAOYSA-N 1 0 259.393 4.065 50 0 CIAARO CCOc1ccc(C[NH2+]C(C)(C)CC)cc1Cl ZINC000013718378 567867582 /nfs/dbraw/zinc/86/75/82/567867582.db2.gz YUQYYQYOFOWVEZ-UHFFFAOYSA-N 1 0 255.789 4.017 50 0 CIAARO CCC(C)(C)[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000013718307 567867597 /nfs/dbraw/zinc/86/75/97/567867597.db2.gz NLXGRKKZIJDENC-UHFFFAOYSA-N 1 0 261.340 4.364 50 0 CIAARO CCCCOCCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000013719974 567867619 /nfs/dbraw/zinc/86/76/19/567867619.db2.gz QEJPPCRDUNUYOI-UHFFFAOYSA-N 1 0 290.234 4.290 50 0 CIAARO CC(C)CC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000013718305 567867620 /nfs/dbraw/zinc/86/76/20/567867620.db2.gz KAYZEGJCGQSYNK-UHFFFAOYSA-N 1 0 261.340 4.221 50 0 CIAARO COCCC[NH2+]Cc1ccc(-c2cccc(Cl)c2C)o1 ZINC000013722541 567867646 /nfs/dbraw/zinc/86/76/46/567867646.db2.gz QCBJOPPAABAJBS-UHFFFAOYSA-N 1 0 293.794 4.035 50 0 CIAARO CC(C)(c1ccccc1)c1ccc(OC2CC[NH2+]CC2)cc1 ZINC000014631933 567869407 /nfs/dbraw/zinc/86/94/07/567869407.db2.gz UKTUSGFDWAIGEX-UHFFFAOYSA-N 1 0 295.426 4.143 50 0 CIAARO Clc1cccc(C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000019787114 567879195 /nfs/dbraw/zinc/87/91/95/567879195.db2.gz QDPIEYJXTMKWCX-UHFFFAOYSA-N 1 0 284.790 4.154 50 0 CIAARO [NH3+][C@H](c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000019968816 567880568 /nfs/dbraw/zinc/88/05/68/567880568.db2.gz STBXRUBEQIEIKX-ZDUSSCGKSA-N 1 0 257.299 4.286 50 0 CIAARO CCCOc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000020085298 567880871 /nfs/dbraw/zinc/88/08/71/567880871.db2.gz CICXVQZBRCWAAT-HNNXBMFYSA-N 1 0 269.388 4.326 50 0 CIAARO CCCOc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000020085299 567880904 /nfs/dbraw/zinc/88/09/04/567880904.db2.gz CICXVQZBRCWAAT-OAHLLOKOSA-N 1 0 269.388 4.326 50 0 CIAARO CCC[N+](CCC)=C1C=C(N2CCCCC2)CC(C)(C)C1 ZINC000043278307 567881142 /nfs/dbraw/zinc/88/11/42/567881142.db2.gz POGUETQKMGLOPZ-UHFFFAOYSA-N 1 0 291.503 4.450 50 0 CIAARO Clc1ccc(COCC[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000028522205 567883973 /nfs/dbraw/zinc/88/39/73/567883973.db2.gz ZHJJBXFCPSAJFV-ZDUSSCGKSA-N 1 0 288.218 4.042 50 0 CIAARO c1ccc(Oc2ccc(C[C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC000032099143 567885564 /nfs/dbraw/zinc/88/55/64/567885564.db2.gz UTBQKZSFRVPFLG-INIZCTEOSA-N 1 0 267.372 4.021 50 0 CIAARO CCCC[NH2+]Cc1ccc(OCc2ccccc2C)cc1 ZINC000032129480 567885904 /nfs/dbraw/zinc/88/59/04/567885904.db2.gz SAQCRDSKOYJPJN-UHFFFAOYSA-N 1 0 283.415 4.464 50 0 CIAARO Cc1ccc([C@@H](C)CC[NH2+][C@H](C)CCCC(C)(C)O)o1 ZINC000032590223 567886081 /nfs/dbraw/zinc/88/60/81/567886081.db2.gz SUDNDEWZMLHLED-UONOGXRCSA-N 1 0 281.440 4.001 50 0 CIAARO Cc1nn(C)cc1C[N@@H+]1CCCCC[C@H]1c1ccc(C)cc1 ZINC000033087096 567886274 /nfs/dbraw/zinc/88/62/74/567886274.db2.gz ZVSAPTDIJBLRCZ-IBGZPJMESA-N 1 0 297.446 4.154 50 0 CIAARO COc1cc(C)c(C[N@H+](C)C2CCCCC2)cc1C ZINC000023281484 567888225 /nfs/dbraw/zinc/88/82/25/567888225.db2.gz LEBDPTMFPYTVSY-UHFFFAOYSA-N 1 0 261.409 4.077 50 0 CIAARO c1ccc(CCC[N@@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000004982724 567888274 /nfs/dbraw/zinc/88/82/74/567888274.db2.gz WYTQLPYQFHPYKP-LJQANCHMSA-N 1 0 280.415 4.241 50 0 CIAARO CCC[NH2+]Cc1cc(Cl)c(OC(C)C)c(Cl)c1 ZINC000040730700 567890766 /nfs/dbraw/zinc/89/07/66/567890766.db2.gz FVNGRUJMOSMBRH-UHFFFAOYSA-N 1 0 276.207 4.280 50 0 CIAARO CC(C)Oc1c(Cl)cc(C[NH2+]C2CC2)cc1Cl ZINC000040730740 567890897 /nfs/dbraw/zinc/89/08/97/567890897.db2.gz WJRGNWXUUHVURQ-UHFFFAOYSA-N 1 0 274.191 4.033 50 0 CIAARO CC[C@H](C)c1ccc(OCC[C@H]2CCCC[NH2+]2)cc1 ZINC000042773241 567891538 /nfs/dbraw/zinc/89/15/38/567891538.db2.gz BGXGQXGRHZPQFV-GOEBONIOSA-N 1 0 261.409 4.111 50 0 CIAARO Clc1ccc(OCC[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC000042773347 567891652 /nfs/dbraw/zinc/89/16/52/567891652.db2.gz UCEVMKSXYQMLLL-CYBMUJFWSA-N 1 0 289.806 4.262 50 0 CIAARO CC(C)c1ccc(OCC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042770775 567891666 /nfs/dbraw/zinc/89/16/66/567891666.db2.gz QNKCPJXBABKVLL-ZDUSSCGKSA-N 1 0 281.827 4.232 50 0 CIAARO CC(C)(C)c1ccc(O[C@@H]2CC[NH2+]C2)c(C(C)(C)C)c1 ZINC000042774693 567891766 /nfs/dbraw/zinc/89/17/66/567891766.db2.gz RVLIWAXITSBSHD-CQSZACIVSA-N 1 0 275.436 4.022 50 0 CIAARO Clc1cc(-c2ccccc2)ccc1O[C@@H]1CCC[NH2+]C1 ZINC000042774976 567891964 /nfs/dbraw/zinc/89/19/64/567891964.db2.gz JTINBSZSPDXTEV-OAHLLOKOSA-N 1 0 287.790 4.138 50 0 CIAARO Cc1cccc(Cn2cc(C[NH2+]C(C)C)c3ccccc32)c1 ZINC000057353159 567895073 /nfs/dbraw/zinc/89/50/73/567895073.db2.gz ZTKAMZLVIWQUKS-UHFFFAOYSA-N 1 0 292.426 4.496 50 0 CIAARO C[NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000057353098 567895095 /nfs/dbraw/zinc/89/50/95/567895095.db2.gz JXMGTSBUDSBIHC-UHFFFAOYSA-N 1 0 284.790 4.062 50 0 CIAARO Fc1ccc(C[NH2+]Cc2ccccc2C(F)(F)F)cc1 ZINC000057263059 567895108 /nfs/dbraw/zinc/89/51/08/567895108.db2.gz XSTUZMCAOOCKKL-UHFFFAOYSA-N 1 0 283.268 4.134 50 0 CIAARO Cc1noc(C)c1C[NH2+][C@@H](c1cccs1)C(C)(C)C ZINC000059578333 567896729 /nfs/dbraw/zinc/89/67/29/567896729.db2.gz YOMIGJLBEGHCHT-AWEZNQCLSA-N 1 0 278.421 4.230 50 0 CIAARO CCc1cnc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)nc1 ZINC000065383102 567898430 /nfs/dbraw/zinc/89/84/30/567898430.db2.gz YWCAVWDCYCRULA-HNNXBMFYSA-N 1 0 295.430 4.253 50 0 CIAARO Cc1nnc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)s1 ZINC000065385977 567898537 /nfs/dbraw/zinc/89/85/37/567898537.db2.gz CVOMAMVHGOBHLJ-GFCCVEGCSA-N 1 0 287.432 4.060 50 0 CIAARO C[C@H](c1ccc(-c2[nH]cnc2-c2ccccc2)cc1)[NH+](C)C ZINC000065366230 567898754 /nfs/dbraw/zinc/89/87/54/567898754.db2.gz DKFXYYFPYQSPKB-CQSZACIVSA-N 1 0 291.398 4.366 50 0 CIAARO Cc1cnccc1-c1cccc([C@@H](C)[NH+]2CCCC2)c1 ZINC000065395411 567899207 /nfs/dbraw/zinc/89/92/07/567899207.db2.gz YUSNNVHXGOEHDM-OAHLLOKOSA-N 1 0 266.388 4.214 50 0 CIAARO CCCC[N@H+](CC)Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000004678862 567901475 /nfs/dbraw/zinc/90/14/75/567901475.db2.gz RZDGXFQPJYWEPH-UHFFFAOYSA-N 1 0 285.435 4.316 50 0 CIAARO CCc1ccc(CNc2[nH+]cc(-c3ccccc3)n2C)cc1 ZINC000004678511 567901521 /nfs/dbraw/zinc/90/15/21/567901521.db2.gz CGCZIEUCTGOWDZ-UHFFFAOYSA-N 1 0 291.398 4.262 50 0 CIAARO CC[C@@H]([NH2+][C@@H](CC)c1ccc(F)cc1)c1ccncc1 ZINC000097228411 567905691 /nfs/dbraw/zinc/90/56/91/567905691.db2.gz RVPNYVJWZXUTGK-DLBZAZTESA-N 1 0 272.367 4.413 50 0 CIAARO CCOc1ccc2[nH+]c(C)cc(Nc3cccc(O)c3)c2c1 ZINC000000071845 567907608 /nfs/dbraw/zinc/90/76/08/567907608.db2.gz MJOVVIUAIOELAQ-UHFFFAOYSA-N 1 0 294.354 4.391 50 0 CIAARO Cc1ccccc1C[N@H+]1CCC[C@@H](c2nccn2C(C)C)C1 ZINC000095374434 567909404 /nfs/dbraw/zinc/90/94/04/567909404.db2.gz NMMUDQSLWLFATG-GOSISDBHSA-N 1 0 297.446 4.152 50 0 CIAARO C[C@@H]1CCC[C@H]([NH2+]Cc2c(F)cccc2Cl)[C@H]1C ZINC000100901814 567914110 /nfs/dbraw/zinc/91/41/10/567914110.db2.gz WDEUUKKXKBLDLE-ZETOZRRWSA-N 1 0 269.791 4.393 50 0 CIAARO CC(C)[C@H](CC[N@H+](C)[C@H]1CCOC(C)(C)C1)c1ccco1 ZINC000248268341 567928923 /nfs/dbraw/zinc/92/89/23/567928923.db2.gz PDBCXBRKTNIGCU-HOTGVXAUSA-N 1 0 293.451 4.299 50 0 CIAARO CC[C@@H]([NH2+][C@H](CSC)c1ccccc1)c1ccncc1 ZINC000163785704 567930978 /nfs/dbraw/zinc/93/09/78/567930978.db2.gz PBKYDXLYCDLPBX-IAGOWNOFSA-N 1 0 286.444 4.227 50 0 CIAARO c1c(-c2ccccc2)[n+](-c2ccccc2)c2n1CCCCC2 ZINC000017179689 567934972 /nfs/dbraw/zinc/93/49/72/567934972.db2.gz CNLNZHYHUUIBOF-UHFFFAOYSA-N 1 0 289.402 4.158 50 0 CIAARO Clc1ccc2scc(C[NH+]3CCCC3)c2c1 ZINC000000330029 567935990 /nfs/dbraw/zinc/93/59/90/567935990.db2.gz AEGSPKSPKDUBNG-UHFFFAOYSA-N 1 0 251.782 4.151 50 0 CIAARO COc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1Cl ZINC000002885126 567937853 /nfs/dbraw/zinc/93/78/53/567937853.db2.gz JOPWMRDGXXNBEF-LBPRGKRZSA-N 1 0 275.779 4.199 50 0 CIAARO CCOc1cc(C[NH2+]CC(C)C)ccc1OC1CCCC1 ZINC000004657652 567938343 /nfs/dbraw/zinc/93/83/43/567938343.db2.gz HKAYKRAYANPNMM-UHFFFAOYSA-N 1 0 291.435 4.152 50 0 CIAARO COc1ccccc1C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000013720627 567942120 /nfs/dbraw/zinc/94/21/20/567942120.db2.gz JQBAWSFMNLAGFE-UHFFFAOYSA-N 1 0 296.197 4.292 50 0 CIAARO CCOc1cccc(C[NH2+]CCc2ccc(Cl)cc2)c1 ZINC000013721182 567942220 /nfs/dbraw/zinc/94/22/20/567942220.db2.gz GKUHAGBTGDCLGD-UHFFFAOYSA-N 1 0 289.806 4.071 50 0 CIAARO CCOc1cccc(C[NH2+][C@H](C)CCc2ccccc2)c1 ZINC000013725982 567942232 /nfs/dbraw/zinc/94/22/32/567942232.db2.gz IOROESIWKOIXQN-MRXNPFEDSA-N 1 0 283.415 4.196 50 0 CIAARO CCOc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)cc1 ZINC000013725559 567942262 /nfs/dbraw/zinc/94/22/62/567942262.db2.gz SFKVYITUNPKRTO-INIZCTEOSA-N 1 0 283.415 4.196 50 0 CIAARO COc1ccc(C[C@H](C)[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000019636246 567944717 /nfs/dbraw/zinc/94/47/17/567944717.db2.gz QLQDVZWARAUCOT-ZDUSSCGKSA-N 1 0 289.806 4.069 50 0 CIAARO COc1ccc2cc(C[NH2+]Cc3ccccc3)ccc2c1 ZINC000019885999 567945062 /nfs/dbraw/zinc/94/50/62/567945062.db2.gz UBLNSNDSVVEYFW-UHFFFAOYSA-N 1 0 277.367 4.138 50 0 CIAARO CCc1ccccc1Oc1ccc(C[NH2+]C)c(Cl)c1 ZINC000234141870 570227819 /nfs/dbraw/zinc/22/78/19/570227819.db2.gz QKMCTHPVKLDOTB-UHFFFAOYSA-N 1 0 275.779 4.414 50 0 CIAARO Clc1ccc([C@@H]2[NH2+]Cc3ccccc3-n3cccc32)cc1 ZINC000055211086 570241490 /nfs/dbraw/zinc/24/14/90/570241490.db2.gz CBEYOUYPCODNPD-SFHVURJKSA-N 1 0 294.785 4.323 50 0 CIAARO C[C@@H](c1ccco1)[N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055371203 570242868 /nfs/dbraw/zinc/24/28/68/570242868.db2.gz GEMLDFIWEBCMBG-LBPRGKRZSA-N 1 0 299.349 4.002 50 0 CIAARO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(C(C)C)cc2)on1 ZINC000047273586 570291770 /nfs/dbraw/zinc/29/17/70/570291770.db2.gz NMKRWOYJAJLBNS-KRWDZBQOSA-N 1 0 284.403 4.444 50 0 CIAARO CCCCn1c[n+](Cc2ccc(Cl)cc2)c2ccccc21 ZINC000252495742 570322873 /nfs/dbraw/zinc/32/28/73/570322873.db2.gz OYVMQXZVQSURCP-UHFFFAOYSA-N 1 0 299.825 4.431 50 0 CIAARO O[C@@H](CC[NH+]1CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000001036355 570323497 /nfs/dbraw/zinc/32/34/97/570323497.db2.gz UUSFBNCIOFXBPP-FQEVSTJZSA-N 1 0 295.426 4.263 50 0 CIAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C)cc2)cc1 ZINC000015837059 570344094 /nfs/dbraw/zinc/34/40/94/570344094.db2.gz QRMOFYPPALVYFD-LJQANCHMSA-N 1 0 281.399 4.341 50 0 CIAARO c1ccc2c(c1)Sc1ccccc1N2C[C@H]1CCC[NH2+]C1 ZINC000043472089 570344792 /nfs/dbraw/zinc/34/47/92/570344792.db2.gz LWYCSDJJCQEQAF-AWEZNQCLSA-N 1 0 296.439 4.289 50 0 CIAARO CC[C@H](C)[NH2+]CCCCOc1ccc2ccccc2c1 ZINC000002821867 570371450 /nfs/dbraw/zinc/37/14/50/570371450.db2.gz BRVWTBMNELWNKX-HNNXBMFYSA-N 1 0 271.404 4.387 50 0 CIAARO CC[C@H](C)[NH2+]CCCCOc1ccc(C)cc1Cl ZINC000002821943 570371473 /nfs/dbraw/zinc/37/14/73/570371473.db2.gz NHCFAZMAMPCECY-ZDUSSCGKSA-N 1 0 269.816 4.196 50 0 CIAARO [NH3+][C@@H]1Cc2ccccc2Sc2ccc(Cl)cc21 ZINC000000389067 570382904 /nfs/dbraw/zinc/38/29/04/570382904.db2.gz UEHJPRSQPKQLIT-GFCCVEGCSA-N 1 0 261.777 4.047 50 0 CIAARO O=C(c1ccccc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000002048327 570384072 /nfs/dbraw/zinc/38/40/72/570384072.db2.gz KJPKPBMWHKBKHG-IBGZPJMESA-N 1 0 293.410 4.139 50 0 CIAARO c1coc(C[NH2+]CC[C@@H](Cc2ccccc2)c2ccco2)c1 ZINC000002296019 570385648 /nfs/dbraw/zinc/38/56/48/570385648.db2.gz JKWSCGNTWMWTJI-KRWDZBQOSA-N 1 0 295.382 4.379 50 0 CIAARO Cc1ccc2c(c1)C[N@@H+](CC1CC1)C[C@H](c1ccsc1)O2 ZINC000014984152 570401184 /nfs/dbraw/zinc/40/11/84/570401184.db2.gz QTQDEFUXMZQHES-GOSISDBHSA-N 1 0 299.439 4.402 50 0 CIAARO CC(C)OCc1ccc(C[NH2+][C@@H](C)c2ccco2)cc1 ZINC000095967329 185047169 /nfs/dbraw/zinc/04/71/69/185047169.db2.gz WWGMSBVRIYRWJK-AWEZNQCLSA-N 1 0 273.376 4.055 50 0 CIAARO C[C@H](c1cccc(-c2cccc(CO)c2)c1)[NH+]1CCCC1 ZINC000096135789 185104431 /nfs/dbraw/zinc/10/44/31/185104431.db2.gz LMOXNIMOLFGBHB-OAHLLOKOSA-N 1 0 281.399 4.003 50 0 CIAARO CC(C)[C@H]([NH2+]C[C@@H]1CC=CCC1)c1nc2ccccc2[nH]1 ZINC000096997157 185149089 /nfs/dbraw/zinc/14/90/89/185149089.db2.gz GWVWUPDEKKPZEW-PBHICJAKSA-N 1 0 283.419 4.206 50 0 CIAARO CCc1cc(OCCC[NH2+]C2CCCC2)ccc1Cl ZINC000002844534 529569316 /nfs/dbraw/zinc/56/93/16/529569316.db2.gz JJBSZVQINNUGQI-UHFFFAOYSA-N 1 0 281.827 4.204 50 0 CIAARO C[n+]1c2ccccc2sc1Cc1cccc2ccccc21 ZINC000000408042 169633255 /nfs/dbraw/zinc/63/32/55/169633255.db2.gz XKXBNWFFYRNNTC-UHFFFAOYSA-N 1 0 290.411 4.470 50 0 CIAARO Cc1cc(Nc2ccccc2O)c2cccc(C)c2[nH+]1 ZINC000000546032 169665599 /nfs/dbraw/zinc/66/55/99/169665599.db2.gz BUBASBGOLYYMPE-UHFFFAOYSA-N 1 0 264.328 4.301 50 0 CIAARO CC[NH+](CC)CCCCCCOc1cccc(C)c1 ZINC000002493549 169795207 /nfs/dbraw/zinc/79/52/07/169795207.db2.gz GZWRPYMPUFFREQ-UHFFFAOYSA-N 1 0 263.425 4.276 50 0 CIAARO Clc1ccc(OCCCC[NH+]2CCCCCC2)cc1 ZINC000002822929 169834431 /nfs/dbraw/zinc/83/44/31/169834431.db2.gz ZYJFZYGPXMZKNA-UHFFFAOYSA-N 1 0 281.827 4.375 50 0 CIAARO Cc1cc(C)c(C)c(OCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000002822197 169834830 /nfs/dbraw/zinc/83/48/30/169834830.db2.gz DVZQUIYMGRAYFF-HOTGVXAUSA-N 1 0 289.463 4.359 50 0 CIAARO C[C@@H]1C[C@@H](C)C[NH+](CCCOc2ccc(Cl)cc2)C1 ZINC000002823954 169834847 /nfs/dbraw/zinc/83/48/47/169834847.db2.gz DMLMMQSUZIUEOW-ZIAGYGMSSA-N 1 0 281.827 4.087 50 0 CIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000002823953 169834863 /nfs/dbraw/zinc/83/48/63/169834863.db2.gz DMLMMQSUZIUEOW-OKILXGFUSA-N 1 0 281.827 4.087 50 0 CIAARO Cc1ccc(OCCC[NH+]2CCCC2)c(C(C)(C)C)c1 ZINC000002932436 169844849 /nfs/dbraw/zinc/84/48/49/169844849.db2.gz GFBCWVCEFUNEGI-UHFFFAOYSA-N 1 0 275.436 4.157 50 0 CIAARO Nc1c2ccccc2[nH+]c2c1CCC[C@H]2c1ccccc1 ZINC000004722804 170005206 /nfs/dbraw/zinc/00/52/06/170005206.db2.gz QTLYPDASYXEMCS-AWEZNQCLSA-N 1 0 274.367 4.285 50 0 CIAARO Nc1c2ccccc2[nH+]c2c1CCC[C@@H]2c1ccccc1 ZINC000004722805 170005390 /nfs/dbraw/zinc/00/53/90/170005390.db2.gz QTLYPDASYXEMCS-CQSZACIVSA-N 1 0 274.367 4.285 50 0 CIAARO CC/C(=C\c1sc2ccc(OC)cc2[n+]1CC)SC ZINC000004737995 170008206 /nfs/dbraw/zinc/00/82/06/170008206.db2.gz IVOLGKCSVPEAEC-ZRDIBKRKSA-N 1 0 294.465 4.331 50 0 CIAARO C[N@@H+]1CCC[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000004777724 170015566 /nfs/dbraw/zinc/01/55/66/170015566.db2.gz ACPNGKNHOCUVOK-MSOLQXFVSA-N 1 0 251.373 4.237 50 0 CIAARO CCCCOc1c(Cl)cc(C[NH2+]CC)cc1Cl ZINC000004838674 170027049 /nfs/dbraw/zinc/02/70/49/170027049.db2.gz MLLDZTDEKHPDKP-UHFFFAOYSA-N 1 0 276.207 4.282 50 0 CIAARO CC[C@H](C)c1ccccc1OCC[NH+]1CCC(C)CC1 ZINC000004845172 170029669 /nfs/dbraw/zinc/02/96/69/170029669.db2.gz YGXYZTFPMRNNSW-INIZCTEOSA-N 1 0 275.436 4.311 50 0 CIAARO c1ccc2c(c1)cccc2OCC[NH+]1CCCCCC1 ZINC000004914221 170040365 /nfs/dbraw/zinc/04/03/65/170040365.db2.gz WYVJAYDVKAHWDS-UHFFFAOYSA-N 1 0 269.388 4.095 50 0 CIAARO CC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000004942875 170042973 /nfs/dbraw/zinc/04/29/73/170042973.db2.gz YAFWOZQTNHUIBF-UHFFFAOYSA-N 1 0 270.159 4.363 50 0 CIAARO Clc1cccc(-c2ccc(C[NH2+]Cc3ccncc3)o2)c1 ZINC000004942892 170043495 /nfs/dbraw/zinc/04/34/95/170043495.db2.gz AYBHCUGJZAVCAZ-UHFFFAOYSA-N 1 0 298.773 4.285 50 0 CIAARO C[C@@H](O)c1ccc(-c2ccc(C[NH2+]C3CCCCC3)o2)cc1 ZINC000004942982 170043623 /nfs/dbraw/zinc/04/36/23/170043623.db2.gz XYUDIGTVULNWDH-CQSZACIVSA-N 1 0 299.414 4.422 50 0 CIAARO C[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000004989031 170049942 /nfs/dbraw/zinc/04/99/42/170049942.db2.gz UTVPIKGLRUSJLF-QGZVFWFLSA-N 1 0 295.426 4.498 50 0 CIAARO COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)c2ccccc2)cc1 ZINC000004989302 170050080 /nfs/dbraw/zinc/05/00/80/170050080.db2.gz NUTGYDWYUOWFIB-IRXDYDNUSA-N 1 0 297.442 4.410 50 0 CIAARO CC[NH+](CC)CCOc1ccc(Cl)c2ccccc12 ZINC000004989952 170050477 /nfs/dbraw/zinc/05/04/77/170050477.db2.gz IWAFJHPXEGMLDS-UHFFFAOYSA-N 1 0 277.795 4.214 50 0 CIAARO c1ccc(-c2ccc(OCC[NH2+]C3CCCC3)cc2)cc1 ZINC000005013380 170055403 /nfs/dbraw/zinc/05/54/03/170055403.db2.gz LGXXACZHSOQGEJ-UHFFFAOYSA-N 1 0 281.399 4.265 50 0 CIAARO CC[NH+](CC)CCOc1c(C)cc(Cl)cc1Cl ZINC000005028700 170057693 /nfs/dbraw/zinc/05/76/93/170057693.db2.gz QACHZDLFMNXTOQ-UHFFFAOYSA-N 1 0 276.207 4.022 50 0 CIAARO C[C@@H]1CC2=C(C[C@@]1(C)[C@]1(C)[NH2+]CCO1)C(C)(C)CCC2 ZINC000005515778 170107287 /nfs/dbraw/zinc/10/72/87/170107287.db2.gz FQJQKNKQNJSHCA-FSPWUOQZSA-N 1 0 277.452 4.265 50 0 CIAARO Cc1[nH]c2cc(C)ccc2c1C(=O)[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000005563025 170113863 /nfs/dbraw/zinc/11/38/63/170113863.db2.gz RDMLYOKFAHPRQE-DZGCQCFKSA-N 1 0 298.430 4.230 50 0 CIAARO CCc1ccc(OCCCCCC[NH+]2CCCC2)cc1 ZINC000005699987 170130583 /nfs/dbraw/zinc/13/05/83/170130583.db2.gz SWHYVTYDZSNUBE-UHFFFAOYSA-N 1 0 275.436 4.284 50 0 CIAARO C[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000005910017 170153679 /nfs/dbraw/zinc/15/36/79/170153679.db2.gz YRHBBGJTDFWHHU-UHFFFAOYSA-N 1 0 296.197 4.292 50 0 CIAARO Fc1ccccc1COc1cccc(C[NH2+]C2CCCC2)c1 ZINC000005998399 170166643 /nfs/dbraw/zinc/16/66/43/170166643.db2.gz DVIZQUKFJXAEOM-UHFFFAOYSA-N 1 0 299.389 4.437 50 0 CIAARO CCC[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000006264896 170186701 /nfs/dbraw/zinc/18/67/01/170186701.db2.gz CLFQSOIBYICELN-UHFFFAOYSA-N 1 0 282.598 4.025 50 0 CIAARO CCC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000006430969 170201076 /nfs/dbraw/zinc/20/10/76/170201076.db2.gz TWFWJVHRVUGIGP-UHFFFAOYSA-N 1 0 289.806 4.419 50 0 CIAARO CC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000006497324 170207266 /nfs/dbraw/zinc/20/72/66/170207266.db2.gz VSYVGXKCKXXSAD-UHFFFAOYSA-N 1 0 293.769 4.168 50 0 CIAARO Cc1cc(NC(=O)c2ccccc2)c(Cl)cc1[N+]#N ZINC000006569085 170214120 /nfs/dbraw/zinc/21/41/20/170214120.db2.gz QIVQGIPJQWJCKO-UHFFFAOYSA-O 1 0 272.715 4.385 50 0 CIAARO CC(C)C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000006883629 170252560 /nfs/dbraw/zinc/25/25/60/170252560.db2.gz DOBUKPIHLYDVQO-UHFFFAOYSA-N 1 0 263.768 4.346 50 0 CIAARO COc1cccc(C[NH2+]C(C)(C)C)c1OCc1ccccc1 ZINC000006882592 170252626 /nfs/dbraw/zinc/25/26/26/170252626.db2.gz MCTNHJCQLXSFNM-UHFFFAOYSA-N 1 0 299.414 4.162 50 0 CIAARO CC(C)(C)[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000006882586 170252905 /nfs/dbraw/zinc/25/29/05/170252905.db2.gz XOTLZYZGXPBRGF-UHFFFAOYSA-N 1 0 287.378 4.293 50 0 CIAARO CCCCC[NH2+]Cc1cc(Cl)ccc1OCC ZINC000007261261 170273889 /nfs/dbraw/zinc/27/38/89/170273889.db2.gz SPFFRZCWFDKZCC-UHFFFAOYSA-N 1 0 255.789 4.019 50 0 CIAARO CCCC[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000007261717 170274046 /nfs/dbraw/zinc/27/40/46/170274046.db2.gz NNEQHTOBNRAZLY-UHFFFAOYSA-N 1 0 263.768 4.490 50 0 CIAARO CCCC[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000007261681 170274072 /nfs/dbraw/zinc/27/40/72/170274072.db2.gz GHPXCAUHTSEKPF-UHFFFAOYSA-N 1 0 299.414 4.164 50 0 CIAARO CCOc1cccc(C[NH2+]C(C)(C)CC(C)(C)C)c1 ZINC000007521058 170287882 /nfs/dbraw/zinc/28/78/82/170287882.db2.gz JWXXLPQWSVTHOT-UHFFFAOYSA-N 1 0 263.425 4.390 50 0 CIAARO c1coc(C[NH2+]Cc2ccc(OCc3cccs3)cc2)c1 ZINC000007524059 170288647 /nfs/dbraw/zinc/28/86/47/170288647.db2.gz NAHIEJIZNPDJTR-UHFFFAOYSA-N 1 0 299.395 4.210 50 0 CIAARO CCOc1ccc(C[NH2+]C2CCCCCCC2)cc1 ZINC000007523308 170288656 /nfs/dbraw/zinc/28/86/56/170288656.db2.gz OYFIGQONXZVJCC-UHFFFAOYSA-N 1 0 261.409 4.288 50 0 CIAARO c1cc(-c2ccccc2)oc1C[NH2+]C1CCCCC1 ZINC000007524179 170288909 /nfs/dbraw/zinc/28/89/09/170288909.db2.gz NVVVNJRPSXQRDQ-UHFFFAOYSA-N 1 0 255.361 4.369 50 0 CIAARO CCOc1cc(C[NH2+]C2CCCCC2)cc(Cl)c1OC ZINC000008253650 170327042 /nfs/dbraw/zinc/32/70/42/170327042.db2.gz OAYRIPGDKLTJRE-UHFFFAOYSA-N 1 0 297.826 4.170 50 0 CIAARO Cc1cc(C)c2[nH]c(C)c(C[N@H+]3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008714105 170348610 /nfs/dbraw/zinc/34/86/10/170348610.db2.gz NDIDAJITJGQMNJ-LBPRGKRZSA-N 1 0 298.430 4.098 50 0 CIAARO CCCCc1ccc2[nH]c(C)c(C[NH+]3CCCC3)c(=O)c2c1 ZINC000008717215 170349395 /nfs/dbraw/zinc/34/93/95/170349395.db2.gz VONNIXAJCQZLCH-UHFFFAOYSA-N 1 0 298.430 4.187 50 0 CIAARO Cc1cccc(-n2ncc3c2CCC[C@@H]3[NH2+]C2CCC2)c1C ZINC000012590117 170498854 /nfs/dbraw/zinc/49/88/54/170498854.db2.gz HEINPPJOFOWEIT-KRWDZBQOSA-N 1 0 295.430 4.009 50 0 CIAARO CCOc1ccc(C[NH2+]CCC2=CCCCC2)cc1 ZINC000013717961 170581050 /nfs/dbraw/zinc/58/10/50/170581050.db2.gz QMZQGAMNAUIGDN-UHFFFAOYSA-N 1 0 259.393 4.065 50 0 CIAARO C[NH2+]Cc1c(OCc2ccccc2C)ccc2ccccc21 ZINC000019778437 170861086 /nfs/dbraw/zinc/86/10/86/170861086.db2.gz LAXZZIVWSDQFDS-UHFFFAOYSA-N 1 0 291.394 4.447 50 0 CIAARO Clc1ccc(CC[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000020018570 170970874 /nfs/dbraw/zinc/97/08/74/170970874.db2.gz REGNGRJQIWYYRJ-UHFFFAOYSA-N 1 0 280.198 4.326 50 0 CIAARO C[C@@H]([NH2+]Cc1ccncc1)c1cc(Cl)ccc1Cl ZINC000020139944 171027079 /nfs/dbraw/zinc/02/70/79/171027079.db2.gz OKJPWKRRLAKKNK-SNVBAGLBSA-N 1 0 281.186 4.239 50 0 CIAARO Cc1ccc(C(C)C)cc1OCC[C@H]1CCCC[NH2+]1 ZINC000020221536 171083027 /nfs/dbraw/zinc/08/30/27/171083027.db2.gz PUTUMLWJOQYDCA-MRXNPFEDSA-N 1 0 261.409 4.029 50 0 CIAARO FC(F)(F)c1ccc([C@@H]2[NH2+]CCc3sccc32)cc1 ZINC000020223804 171086402 /nfs/dbraw/zinc/08/64/02/171086402.db2.gz KIPRTQNWIXZVKX-ZDUSSCGKSA-N 1 0 283.318 4.002 50 0 CIAARO Cc1noc(C)c1C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000020253283 171105680 /nfs/dbraw/zinc/10/56/80/171105680.db2.gz VVQVARPNNIQMRX-LBPRGKRZSA-N 1 0 280.371 4.295 50 0 CIAARO CCc1ccc([C@H]([NH2+]Cc2c(C)noc2C)C(C)C)cc1 ZINC000020253368 171106024 /nfs/dbraw/zinc/10/60/24/171106024.db2.gz AUTKRFHGFYUHTJ-GOSISDBHSA-N 1 0 286.419 4.341 50 0 CIAARO CCCOc1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000020564271 171252898 /nfs/dbraw/zinc/25/28/98/171252898.db2.gz NOTAPFZZYKDEOH-UHFFFAOYSA-N 1 0 261.409 4.288 50 0 CIAARO CC[C@@H](C[N@H+](C)CCCc1c(C)n[nH]c1C)c1ccccc1 ZINC000020867164 171276868 /nfs/dbraw/zinc/27/68/68/171276868.db2.gz RSQUTSQSFKCDGP-KRWDZBQOSA-N 1 0 299.462 4.085 50 0 CIAARO Cc1ccc(COc2ccccc2C[NH2+]CC(C)C)cc1 ZINC000020873619 171277112 /nfs/dbraw/zinc/27/71/12/171277112.db2.gz BKEJDYHNMWZFTK-UHFFFAOYSA-N 1 0 283.415 4.320 50 0 CIAARO CC[NH2+]Cc1ccc(OCc2ccc(C)cc2)c(OCC)c1 ZINC000020874325 171277359 /nfs/dbraw/zinc/27/73/59/171277359.db2.gz MGZAFUSJFOBQQS-UHFFFAOYSA-N 1 0 299.414 4.082 50 0 CIAARO COc1ccc(C[NH2+]Cc2ccccc2Cl)cc1Cl ZINC000020927904 171280256 /nfs/dbraw/zinc/28/02/56/171280256.db2.gz XPABQOCBULRULU-UHFFFAOYSA-N 1 0 296.197 4.292 50 0 CIAARO CCCC[NH2+]Cc1cc(Cl)ccc1OCCC ZINC000020928749 171280262 /nfs/dbraw/zinc/28/02/62/171280262.db2.gz HYIMOPLGFLWYMV-UHFFFAOYSA-N 1 0 255.789 4.019 50 0 CIAARO CCCOc1ccc(Cl)cc1C[NH2+][C@H](C)CC ZINC000020928850 171280316 /nfs/dbraw/zinc/28/03/16/171280316.db2.gz OXAMQUSZTBZNTC-LLVKDONJSA-N 1 0 255.789 4.017 50 0 CIAARO COc1ccc(C[NH2+]C2CCCCCC2)cc1Cl ZINC000020928051 171280397 /nfs/dbraw/zinc/28/03/97/171280397.db2.gz VNUAFJLZUJFLIW-UHFFFAOYSA-N 1 0 267.800 4.161 50 0 CIAARO CCCOc1ccc(Cl)cc1C[NH2+][C@@H](C)CC ZINC000020928846 171280629 /nfs/dbraw/zinc/28/06/29/171280629.db2.gz OXAMQUSZTBZNTC-NSHDSACASA-N 1 0 255.789 4.017 50 0 CIAARO CCCOc1ccc(Cl)cc1C[NH2+]Cc1ccccc1 ZINC000020928679 171280668 /nfs/dbraw/zinc/28/06/68/171280668.db2.gz NBWJYCMAWUQUDI-UHFFFAOYSA-N 1 0 289.806 4.419 50 0 CIAARO CCC[NH2+]Cc1c(OCCC)ccc2ccccc21 ZINC000020930601 171280880 /nfs/dbraw/zinc/28/08/80/171280880.db2.gz LROBDVXEDVXRCL-UHFFFAOYSA-N 1 0 257.377 4.128 50 0 CIAARO CCCOc1ccc(C[NH2+]C2CCCCCC2)cc1OC ZINC000020931151 171281209 /nfs/dbraw/zinc/28/12/09/171281209.db2.gz UKXKZAFQAASHQU-UHFFFAOYSA-N 1 0 291.435 4.296 50 0 CIAARO CCCn1c2ccccc2nc1[C@H](C)[NH+]1CCCCCC1 ZINC000021175872 171299028 /nfs/dbraw/zinc/29/90/28/171299028.db2.gz FXLVGZLJGYOHPC-HNNXBMFYSA-N 1 0 285.435 4.383 50 0 CIAARO COc1ccc(OC)c(C[NH2+]CCCCCCC(C)C)c1 ZINC000021787450 171322995 /nfs/dbraw/zinc/32/29/95/171322995.db2.gz AYNORVKTRDLODO-UHFFFAOYSA-N 1 0 293.451 4.400 50 0 CIAARO Cc1ccc([C@H](C)[NH2+][C@H](C)CCc2ccco2)cc1 ZINC000021797750 171325085 /nfs/dbraw/zinc/32/50/85/171325085.db2.gz SOZJHSAGRRZPDQ-CABCVRRESA-N 1 0 257.377 4.260 50 0 CIAARO Fc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)o2)cc1 ZINC000022076491 171352657 /nfs/dbraw/zinc/35/26/57/171352657.db2.gz KQUQLBCCZCZQAZ-UHFFFAOYSA-N 1 0 295.357 4.418 50 0 CIAARO Fc1ccc(CC[NH2+]Cc2ccc(-c3ccccc3)o2)cc1 ZINC000022076467 171352671 /nfs/dbraw/zinc/35/26/71/171352671.db2.gz ZNIPHYHOWJPZJM-UHFFFAOYSA-N 1 0 295.357 4.418 50 0 CIAARO CCC[NH2+]Cc1ccc(OCc2cccc(C)c2)cc1 ZINC000032117748 171709885 /nfs/dbraw/zinc/70/98/85/171709885.db2.gz GHHSHGWNGHTAGE-UHFFFAOYSA-N 1 0 269.388 4.074 50 0 CIAARO Cc1cc(C(C)(C)C)ccc1OCC[C@H]1CCCC[NH2+]1 ZINC000036970065 172838333 /nfs/dbraw/zinc/83/83/33/172838333.db2.gz JHGMWLFTSRSMTD-MRXNPFEDSA-N 1 0 275.436 4.204 50 0 CIAARO COc1cccc(C[N@H+](C)[C@H](C)c2ccc(F)cc2)c1 ZINC000040007503 174182328 /nfs/dbraw/zinc/18/23/28/174182328.db2.gz KWJJIAXGSGQSBV-CYBMUJFWSA-N 1 0 273.351 4.027 50 0 CIAARO Fc1ccc(C[N@H+](Cc2cccs2)C2CC2)cc1 ZINC000040005480 174182642 /nfs/dbraw/zinc/18/26/42/174182642.db2.gz AEFVHLLFHCLMLD-UHFFFAOYSA-N 1 0 261.365 4.052 50 0 CIAARO Clc1ccccc1[C@@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000040153671 174194595 /nfs/dbraw/zinc/19/45/95/174194595.db2.gz YPFUYYZYOXYRPT-KRWDZBQOSA-N 1 0 286.806 4.115 50 0 CIAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1OC(C)C ZINC000040728328 174387945 /nfs/dbraw/zinc/38/79/45/174387945.db2.gz BNSDGWILXCVTHX-LLVKDONJSA-N 1 0 285.815 4.024 50 0 CIAARO CCOc1cc(C[NH2+]C(C)(C)CC)ccc1OC(C)C ZINC000040728806 174388150 /nfs/dbraw/zinc/38/81/50/174388150.db2.gz BLPYTLQGIRZKLG-UHFFFAOYSA-N 1 0 279.424 4.151 50 0 CIAARO CC(C)c1cc(Cl)ccc1OCC[C@H]1CCC[NH2+]C1 ZINC000042770913 174871099 /nfs/dbraw/zinc/87/10/99/174871099.db2.gz NKBZHCFJXLKWKB-CYBMUJFWSA-N 1 0 281.827 4.232 50 0 CIAARO CC[C@@H](C)c1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000042773230 174872350 /nfs/dbraw/zinc/87/23/50/174872350.db2.gz BGXGQXGRHZPQFV-ZBFHGGJFSA-N 1 0 261.409 4.111 50 0 CIAARO Clc1ccc(O[C@@H]2CCC[NH2+]C2)c(-c2ccccc2)c1 ZINC000042775482 174873859 /nfs/dbraw/zinc/87/38/59/174873859.db2.gz OKHLNKDFRSVUBN-OAHLLOKOSA-N 1 0 287.790 4.138 50 0 CIAARO c1ccc2[nH]c(C[NH2+]Cc3cccc4ccccc43)nc2c1 ZINC000043258191 174995481 /nfs/dbraw/zinc/99/54/81/174995481.db2.gz XQJLCUYRFIMRBZ-UHFFFAOYSA-N 1 0 287.366 4.006 50 0 CIAARO C[C@@H]([NH2+]Cc1cn(C)c2ccccc12)c1ccccc1 ZINC000045944974 175387217 /nfs/dbraw/zinc/38/72/17/175387217.db2.gz CZRUWPNDYHQLDR-CQSZACIVSA-N 1 0 264.372 4.029 50 0 CIAARO CCCn1cc(C[NH2+]CCC(C)C)c2ccccc21 ZINC000045945259 175387786 /nfs/dbraw/zinc/38/77/86/175387786.db2.gz DOKIUNKWBBMOAE-UHFFFAOYSA-N 1 0 258.409 4.187 50 0 CIAARO CC[C@H](C)[N@H+](Cc1ccsc1)Cc1cccc(C)n1 ZINC000071759415 176261195 /nfs/dbraw/zinc/26/11/95/176261195.db2.gz NDEJEARXRDGXHJ-AWEZNQCLSA-N 1 0 274.433 4.252 50 0 CIAARO C[NH+](C)CCCCOC(c1ccccc1)c1ccccc1 ZINC000071771368 176262446 /nfs/dbraw/zinc/26/24/46/176262446.db2.gz OZAGIJNAIBNIOU-UHFFFAOYSA-N 1 0 283.415 4.134 50 0 CIAARO C[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1ccccc1Cl ZINC000072242339 176349419 /nfs/dbraw/zinc/34/94/19/176349419.db2.gz UQFORQDOKJEPCS-SNVBAGLBSA-N 1 0 281.186 4.239 50 0 CIAARO CC(C)Oc1ccc(Cl)cc1C[NH2+]C(C)(C)C ZINC000040730281 260178997 /nfs/dbraw/zinc/17/89/97/260178997.db2.gz SXZPKTTVSUCHIJ-UHFFFAOYSA-N 1 0 255.789 4.015 50 0 CIAARO C[C@H](c1ccc(-c2ccc3[nH]cnc3c2)cc1)[NH+]1CCCC1 ZINC000534588344 328316668 /nfs/dbraw/zinc/31/66/68/328316668.db2.gz PKUNBJADHIRECU-CQSZACIVSA-N 1 0 291.398 4.387 50 0 CIAARO Cc1sc2c(c1C)C[NH2+][C@H](c1ccccc1)c1cccn1-2 ZINC000032919302 326898556 /nfs/dbraw/zinc/89/85/56/326898556.db2.gz NOQXITYAKAKCBC-QGZVFWFLSA-N 1 0 294.423 4.348 50 0 CIAARO COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1F ZINC000551273133 334244419 /nfs/dbraw/zinc/24/44/19/334244419.db2.gz SKVZOZOOTZKTAW-COXVUDFISA-N 1 0 299.389 4.289 50 0 CIAARO Clc1ccc(C[NH2+]CCc2ccccc2)c(Cl)c1 ZINC000019842833 567879024 /nfs/dbraw/zinc/87/90/24/567879024.db2.gz GWVPDWMPWLNSHT-UHFFFAOYSA-N 1 0 280.198 4.326 50 0 CIAARO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2ccncc2C)c1 ZINC000240971692 566826030 /nfs/dbraw/zinc/82/60/30/566826030.db2.gz UBFQKPYAZDNJSR-IBGZPJMESA-N 1 0 296.414 4.126 50 0 CIAARO Cc1noc(C)c1C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000052162358 566834197 /nfs/dbraw/zinc/83/41/97/566834197.db2.gz MXHOSIPUALYSTM-NSHDSACASA-N 1 0 278.783 4.138 50 0 CIAARO COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000035015139 566842627 /nfs/dbraw/zinc/84/26/27/566842627.db2.gz QKHGLSBTEYKATR-CABCVRRESA-N 1 0 259.393 4.011 50 0 CIAARO CCCCCC[C@@H](C)[NH2+]Cc1cc(OC)ccc1OC ZINC000034991412 566842716 /nfs/dbraw/zinc/84/27/16/566842716.db2.gz FFTNYIKWUHODMB-CQSZACIVSA-N 1 0 279.424 4.152 50 0 CIAARO C[C@@H]([NH2+]Cc1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000004143570 566861793 /nfs/dbraw/zinc/86/17/93/566861793.db2.gz GOEUMOGGECTUKN-JISDDCRVSA-N 1 0 275.461 4.443 50 0 CIAARO COC(=O)CCCCCCCCCC[NH+]1CCCCC1 ZINC000004184451 566875746 /nfs/dbraw/zinc/87/57/46/566875746.db2.gz QYVKNHQJACYNTP-UHFFFAOYSA-N 1 0 283.456 4.156 50 0 CIAARO O=C1c2c(ccc3ccccc32)CC[C@H]1C[NH+]1CCCCC1 ZINC000005159836 566890309 /nfs/dbraw/zinc/89/03/09/566890309.db2.gz ZAPHRZWFDCQFMH-KRWDZBQOSA-N 1 0 293.410 4.071 50 0 CIAARO CC1=[N+](C)c2ccc(-c3ccccc3)cc2C1(C)C ZINC000001504047 566899254 /nfs/dbraw/zinc/89/92/54/566899254.db2.gz RKFUNHMCGMYPDV-UHFFFAOYSA-N 1 0 250.365 4.380 50 0 CIAARO COc1ccc2c(c1)[C@@H](c1ccccc1)[C@@H](C(C)(C)C)[NH2+]C2 ZINC000002167261 566913414 /nfs/dbraw/zinc/91/34/14/566913414.db2.gz IJWDGSMTEMKAKE-MOPGFXCFSA-N 1 0 295.426 4.345 50 0 CIAARO CC[C@@H](C)[C@H](C(=O)OCC[NH+](CC)CC)C1CCCCC1 ZINC000071782916 566917431 /nfs/dbraw/zinc/91/74/31/566917431.db2.gz PARCBWBZNBESCI-WBVHZDCISA-N 1 0 297.483 4.114 50 0 CIAARO CC[C@H](C)[C@H](C(=O)OCC[NH+](CC)CC)C1CCCCC1 ZINC000071782917 566917847 /nfs/dbraw/zinc/91/78/47/566917847.db2.gz PARCBWBZNBESCI-RDJZCZTQSA-N 1 0 297.483 4.114 50 0 CIAARO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000015837476 566921157 /nfs/dbraw/zinc/92/11/57/566921157.db2.gz WHUFDJPJXBPNDI-SFHVURJKSA-N 1 0 285.362 4.171 50 0 CIAARO C[C@H]1[C@H](O)[C@@H](C)[C@@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000239212612 566965924 /nfs/dbraw/zinc/96/59/24/566965924.db2.gz TUHNPNHADQMPAJ-SBCNTATESA-N 1 0 295.426 4.048 50 0 CIAARO CCOc1cccc(-c2ccc(C[NH+]3CCCCC3)cn2)c1 ZINC000426432157 566988820 /nfs/dbraw/zinc/98/88/20/566988820.db2.gz YYOHLJLBBZGTPW-UHFFFAOYSA-N 1 0 296.414 4.133 50 0 CIAARO C[C@H](c1ccc(-c2ccc(CCO)cc2)cc1)[NH+]1CCCC1 ZINC000426573092 566988973 /nfs/dbraw/zinc/98/89/73/566988973.db2.gz LEPXRJJVPJNWMG-MRXNPFEDSA-N 1 0 295.426 4.045 50 0 CIAARO c1ccc(C[N@H+](Cc2ccccn2)C2CCCCC2)cc1 ZINC000064807021 566993345 /nfs/dbraw/zinc/99/33/45/566993345.db2.gz UDCVRJMIJLULLT-UHFFFAOYSA-N 1 0 280.415 4.417 50 0 CIAARO CC[C@@H]([NH2+]Cc1c(C)noc1C)c1cccc(Cl)c1 ZINC000036921528 567007343 /nfs/dbraw/zinc/00/73/43/567007343.db2.gz GTDPUPGIZBTMGQ-OAHLLOKOSA-N 1 0 278.783 4.186 50 0 CIAARO CC[C@H](C)[NH2+]CCCOc1ccc([C@@H](C)CC)cc1 ZINC000002823223 567037221 /nfs/dbraw/zinc/03/72/21/567037221.db2.gz LJACMFNQOUMSSE-GJZGRUSLSA-N 1 0 263.425 4.357 50 0 CIAARO C[C@@H]1CCC[N@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000002822205 567037532 /nfs/dbraw/zinc/03/75/32/567037532.db2.gz LYROKVNZQMKYTQ-MRXNPFEDSA-N 1 0 283.415 4.341 50 0 CIAARO CC(C)[C@@H](CC[NH2+]Cc1ccccc1)c1ccco1 ZINC000002091906 567042481 /nfs/dbraw/zinc/04/24/81/567042481.db2.gz OGBZWHNMZSPTQW-MRXNPFEDSA-N 1 0 257.377 4.199 50 0 CIAARO C[C@@H]1CC[N@H+](Cc2nc3ccccc3o2)[C@@H]2CCCC[C@H]12 ZINC000252477086 567055447 /nfs/dbraw/zinc/05/54/47/567055447.db2.gz HWVBEEZYQVDRBW-IIAWOOMASA-N 1 0 284.403 4.228 50 0 CIAARO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccccc1 ZINC000095447465 567133511 /nfs/dbraw/zinc/13/35/11/567133511.db2.gz ZZUGFYPGUXESIW-KDOFPFPSSA-N 1 0 251.373 4.100 50 0 CIAARO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCCC1CCCC1 ZINC000095446836 567134421 /nfs/dbraw/zinc/13/44/21/567134421.db2.gz HWVSSCKRZVMWOQ-MRXNPFEDSA-N 1 0 275.440 4.134 50 0 CIAARO CC[N@H+](CCCc1csc(C)n1)Cc1ccccc1C ZINC000095459926 567134540 /nfs/dbraw/zinc/13/45/40/567134540.db2.gz PSMNARIBIJJVDK-UHFFFAOYSA-N 1 0 288.460 4.215 50 0 CIAARO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccccc1 ZINC000095447463 567134703 /nfs/dbraw/zinc/13/47/03/567134703.db2.gz ZZUGFYPGUXESIW-RDTXWAMCSA-N 1 0 251.373 4.100 50 0 CIAARO C[N@H+](Cc1cc(-c2ccccc2)cs1)Cc1cccnc1 ZINC000095468604 567136647 /nfs/dbraw/zinc/13/66/47/567136647.db2.gz VLIPWMMIBLWWIY-UHFFFAOYSA-N 1 0 294.423 4.442 50 0 CIAARO CC[NH+](CC)CCO[C@H](c1ccccc1)c1ccccc1C ZINC000096026465 567136727 /nfs/dbraw/zinc/13/67/27/567136727.db2.gz ALIWSCBGFHUUDX-HXUWFJFHSA-N 1 0 297.442 4.443 50 0 CIAARO c1ccc(OCCC[N@@H+]2CCC[C@H](c3ccccc3)C2)cc1 ZINC000096027206 567138484 /nfs/dbraw/zinc/13/84/84/567138484.db2.gz HISWYPLCNMURNC-IBGZPJMESA-N 1 0 295.426 4.335 50 0 CIAARO CC[NH+](CC)C[C@H](Oc1ccc(C)cc1)c1ccccc1 ZINC000096026734 567139311 /nfs/dbraw/zinc/13/93/11/567139311.db2.gz FTSUJPBVSJDCLD-IBGZPJMESA-N 1 0 283.415 4.457 50 0 CIAARO [NH3+]C[C@H](CCCCCc1ccccc1)Oc1ccccc1 ZINC000096027241 567139519 /nfs/dbraw/zinc/13/95/19/567139519.db2.gz XMJQUBLGJOWVOW-IBGZPJMESA-N 1 0 283.415 4.196 50 0 CIAARO Cc1cccc(C)c1OCCCCCC[NH+]1CCCC1 ZINC000002885584 567153084 /nfs/dbraw/zinc/15/30/84/567153084.db2.gz NAKFCKLXHBNAOL-UHFFFAOYSA-N 1 0 275.436 4.338 50 0 CIAARO Cc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1C ZINC000003011392 567158382 /nfs/dbraw/zinc/15/83/82/567158382.db2.gz ZYTZKHQYGJASAI-UHFFFAOYSA-N 1 0 260.360 4.154 50 0 CIAARO CC(C)(C)[C@@H](CC[NH2+][C@@H]1CCOC(C)(C)C1)c1ccco1 ZINC000032092939 567187810 /nfs/dbraw/zinc/18/78/10/567187810.db2.gz TWMBUKLLCOVEES-CABCVRRESA-N 1 0 293.451 4.347 50 0 CIAARO C[NH+]1CCC(Oc2ccccc2Sc2ccccc2)CC1 ZINC000000011024 567816457 /nfs/dbraw/zinc/81/64/57/567816457.db2.gz CBYVLYPUADKSDZ-UHFFFAOYSA-N 1 0 299.439 4.311 50 0 CIAARO C[N@H+](C[C@@H](O)c1ccccc1)C1CCC(C(C)(C)C)CC1 ZINC000000213245 567822377 /nfs/dbraw/zinc/82/23/77/567822377.db2.gz PWFREQYOBTURQM-DAWZGUTISA-N 1 0 289.463 4.257 50 0 CIAARO C[C@H]1CCC[C@H]([NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000000221429 567822655 /nfs/dbraw/zinc/82/26/55/567822655.db2.gz OOKABKZGYLPYLO-YOEHRIQHSA-N 1 0 292.854 4.041 50 0 CIAARO c1cc(Oc2ccccc2)oc1C[NH+]1CCCCC1 ZINC000000216170 567822675 /nfs/dbraw/zinc/82/26/75/567822675.db2.gz CJFSNOIOOZJWRB-UHFFFAOYSA-N 1 0 257.333 4.058 50 0 CIAARO CC/C(=C/c1sc2ccc(OC)cc2[n+]1CC)SC ZINC000000248437 567822795 /nfs/dbraw/zinc/82/27/95/567822795.db2.gz IVOLGKCSVPEAEC-BENRWUELSA-N 1 0 294.465 4.331 50 0 CIAARO [NH3+]CC12C[C@@H]3C[C@H](C1)CC(c1ccc(Cl)cc1)(C3)C2 ZINC000000321206 567825373 /nfs/dbraw/zinc/82/53/73/567825373.db2.gz XFUINEUGCHITSD-ZPVISIIKSA-N 1 0 275.823 4.137 50 0 CIAARO CCN(CC)C1=[NH+]C=CC(c2ccccc2)=C[C@@H]1SC ZINC000000343271 567825928 /nfs/dbraw/zinc/82/59/28/567825928.db2.gz RCBINDWMUCCWLP-INIZCTEOSA-N 1 0 286.444 4.069 50 0 CIAARO CC(C)(C)[NH2+]Cc1ccccc1OCc1cccs1 ZINC000000359704 567826553 /nfs/dbraw/zinc/82/65/53/567826553.db2.gz DDRFQBUPPZHABX-UHFFFAOYSA-N 1 0 275.417 4.215 50 0 CIAARO CSc1cc(-c2ccccc2)c2ccccc2[n+]1C ZINC000000409905 567829740 /nfs/dbraw/zinc/82/97/40/567829740.db2.gz QFIJGQLAIRUVBM-UHFFFAOYSA-N 1 0 266.389 4.053 50 0 CIAARO COc1cccc2c(Nc3ccccc3O)cc(C)nc12 ZINC000000534256 567833260 /nfs/dbraw/zinc/83/32/60/567833260.db2.gz CAZRWEPAZQAOTQ-UHFFFAOYSA-N 1 0 280.327 4.001 50 0 CIAARO COc1cccc(C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000001227309 567836490 /nfs/dbraw/zinc/83/64/90/567836490.db2.gz DSENMJAXFOHPHZ-UHFFFAOYSA-N 1 0 295.426 4.150 50 0 CIAARO C[NH2+]CCCC1c2ccccc2C=Cc2ccccc21 ZINC000001530764 567837788 /nfs/dbraw/zinc/83/77/88/567837788.db2.gz BWPIARFWQZKAIA-UHFFFAOYSA-N 1 0 263.384 4.302 50 0 fda CIAARO CC(C)(C)[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000002932898 567850727 /nfs/dbraw/zinc/85/07/27/567850727.db2.gz ZSBAIQQQZUCNOQ-UHFFFAOYSA-N 1 0 296.625 4.414 50 0 CIAARO Cc1cc(C)c(C)c(OCCCC[NH+]2CCCCC2)c1 ZINC000002494267 567845852 /nfs/dbraw/zinc/84/58/52/567845852.db2.gz BRSXWNVGHUCUSN-UHFFFAOYSA-N 1 0 275.436 4.257 50 0 CIAARO c1coc(C[NH2+]CC[C@@H](c2ccco2)c2ccccc2)c1 ZINC000002418316 567845854 /nfs/dbraw/zinc/84/58/54/567845854.db2.gz KLKJNZADXHNHED-QGZVFWFLSA-N 1 0 281.355 4.184 50 0 CIAARO Cc1cc(C)cc(C(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000002515071 567846707 /nfs/dbraw/zinc/84/67/07/567846707.db2.gz FWOVCLBSUYJNAF-UHFFFAOYSA-N 1 0 293.410 4.130 50 0 CIAARO O=C(c1cccc(Cl)c1)c1ccccc1C[NH+]1CCCC1 ZINC000002515558 567846767 /nfs/dbraw/zinc/84/67/67/567846767.db2.gz AJWQOZRTCJQMRF-UHFFFAOYSA-N 1 0 299.801 4.167 50 0 CIAARO [NH3+]C[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000002576601 567848412 /nfs/dbraw/zinc/84/84/12/567848412.db2.gz AYTPJPQOCDNXRW-GFCCVEGCSA-N 1 0 266.171 4.084 50 0 CIAARO CC[NH+](CC)CCCCCOc1cccc(C)c1C ZINC000002842461 567849412 /nfs/dbraw/zinc/84/94/12/567849412.db2.gz MVQDMXKXLOTELM-UHFFFAOYSA-N 1 0 263.425 4.194 50 0 CIAARO CCCC[NH2+]CCCCCCOc1ccc(F)cc1 ZINC000002901112 567850618 /nfs/dbraw/zinc/85/06/18/567850618.db2.gz MLONOTILKREMCR-UHFFFAOYSA-N 1 0 267.388 4.155 50 0 CIAARO CCCC[NH2+][C@@H](C)CC[C@H](C)Oc1ccccc1C ZINC000002931759 567850746 /nfs/dbraw/zinc/85/07/46/567850746.db2.gz HZERXGCDHSVEFF-HOTGVXAUSA-N 1 0 263.425 4.321 50 0 CIAARO Cc1ccc(C(C)(C)C)c(OCCC[NH+]2CCCC2)c1 ZINC000003001305 567850814 /nfs/dbraw/zinc/85/08/14/567850814.db2.gz NGDABHMEGMIELZ-UHFFFAOYSA-N 1 0 275.436 4.157 50 0 CIAARO CC[NH+](CC)CCCOc1cc(C(C)C)ccc1C ZINC000003000736 567850908 /nfs/dbraw/zinc/85/09/08/567850908.db2.gz DLVCHWXZGSGENL-UHFFFAOYSA-N 1 0 263.425 4.229 50 0 CIAARO C[C@H]1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000003683547 567853532 /nfs/dbraw/zinc/85/35/32/567853532.db2.gz UQWXNPHMYCOVJL-HOCLYGCPSA-N 1 0 292.854 4.041 50 0 CIAARO c1cnc2c(c1)cccc2-c1cccc(C[NH2+]C2CC2)c1 ZINC000067833355 567856598 /nfs/dbraw/zinc/85/65/98/567856598.db2.gz FSDWGYJFEKSFIW-UHFFFAOYSA-N 1 0 274.367 4.154 50 0 CIAARO Cc1cc(OCC[NH+]2CCCCCC2)cc(C)c1Cl ZINC000004480166 567857909 /nfs/dbraw/zinc/85/79/09/567857909.db2.gz MNRXIMGMIJESMW-UHFFFAOYSA-N 1 0 281.827 4.212 50 0 CIAARO CCOc1c(C[NH2+]C2CCCCC2)cc(Cl)cc1OC ZINC000004670852 567858868 /nfs/dbraw/zinc/85/88/68/567858868.db2.gz DFNRKTOWGFCAMO-UHFFFAOYSA-N 1 0 297.826 4.170 50 0 CIAARO CC[NH+](CC)CCc1ccc2oc3ccccc3c2c1 ZINC000004798727 567859206 /nfs/dbraw/zinc/85/92/06/567859206.db2.gz IOHKPCRJJMCNDX-UHFFFAOYSA-N 1 0 267.372 4.470 50 0 CIAARO CCC[C@@H]([NH2+]Cc1ccccc1OC)c1ccccc1 ZINC000010435886 567861268 /nfs/dbraw/zinc/86/12/68/567861268.db2.gz MLFUIKDTIVUJPK-QGZVFWFLSA-N 1 0 269.388 4.326 50 0 CIAARO CCOc1ccc(C[NH2+]Cc2cccs2)cc1Cl ZINC000010474536 567861669 /nfs/dbraw/zinc/86/16/69/567861669.db2.gz NOJRFKRNPFABIH-UHFFFAOYSA-N 1 0 281.808 4.090 50 0 CIAARO c1ccc(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000004350803 567864014 /nfs/dbraw/zinc/86/40/14/567864014.db2.gz AKSNXKCOEXJPRL-SFHVURJKSA-N 1 0 276.383 4.335 50 0 CIAARO CC[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@@]1(C)O ZINC000013424380 567866305 /nfs/dbraw/zinc/86/63/05/567866305.db2.gz HLZZWYXFUPJRKG-YSTOQKLRSA-N 1 0 295.426 4.240 50 0 CIAARO Cc1ccc([C@@H]2C[C@H](O)[C@@H](C)[C@@H](c3ccc(C)cc3)[NH2+]2)cc1 ZINC000013633527 567866608 /nfs/dbraw/zinc/86/66/08/567866608.db2.gz XUTBFEKNQJBEOI-TTYHFUOFSA-N 1 0 295.426 4.076 50 0 CIAARO Clc1ccc(CC[NH2+]Cc2ccccc2Cl)cc1 ZINC000013721277 567867428 /nfs/dbraw/zinc/86/74/28/567867428.db2.gz OXGVCEZVIBHOEP-UHFFFAOYSA-N 1 0 280.198 4.326 50 0 CIAARO CCOc1c(C[NH2+]CCC2=CCCCC2)cccc1OC ZINC000013723724 567867457 /nfs/dbraw/zinc/86/74/57/567867457.db2.gz HKPMCMZHSIEPRY-UHFFFAOYSA-N 1 0 289.419 4.074 50 0 CIAARO Cc1ccc(C(C)C)cc1OCCCCn1ccnc1 ZINC000016192738 567872176 /nfs/dbraw/zinc/87/21/76/567872176.db2.gz CEQJZMBGCXXKIF-UHFFFAOYSA-N 1 0 272.392 4.174 50 0 CIAARO Clc1ccc(C[NH2+]C2CCCCC2)cc1Cl ZINC000016384735 567872652 /nfs/dbraw/zinc/87/26/52/567872652.db2.gz PEZCMQDKHGXWKH-UHFFFAOYSA-N 1 0 258.192 4.416 50 0 CIAARO Clc1cccc(C[NH2+]C2CCCCC2)c1Cl ZINC000016383879 567872748 /nfs/dbraw/zinc/87/27/48/567872748.db2.gz WBJWTZNCWUUGLL-UHFFFAOYSA-N 1 0 258.192 4.416 50 0 CIAARO COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2Cl)cc1 ZINC000023282311 567884365 /nfs/dbraw/zinc/88/43/65/567884365.db2.gz DPFHDKDKSHDYNR-CYBMUJFWSA-N 1 0 289.806 4.069 50 0 CIAARO CC(C)c1ccccc1OCCCC[NH2+]C(C)(C)C ZINC000002464349 567884384 /nfs/dbraw/zinc/88/43/84/567884384.db2.gz FQDKOGVHRITEOF-UHFFFAOYSA-N 1 0 263.425 4.357 50 0 CIAARO CCCC[NH2+]Cc1cccc(OCc2ccccc2C)c1 ZINC000032129472 567886049 /nfs/dbraw/zinc/88/60/49/567886049.db2.gz XGXWODIFFHRMGN-UHFFFAOYSA-N 1 0 283.415 4.464 50 0 CIAARO Cc1cc(C)c(C[NH2+][C@H](C)CCC(C)C)c(C)c1CO ZINC000032593224 567886417 /nfs/dbraw/zinc/88/64/17/567886417.db2.gz FMDIPOYBXYGENJ-OAHLLOKOSA-N 1 0 277.452 4.018 50 0 CIAARO Fc1ccccc1[C@@H]1CC[N@@H+]1CCCOc1ccccc1 ZINC000072308982 567886974 /nfs/dbraw/zinc/88/69/74/567886974.db2.gz MBBFLDQFRFECHN-SFHVURJKSA-N 1 0 285.362 4.042 50 0 CIAARO CC(C)Oc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000002838877 567887336 /nfs/dbraw/zinc/88/73/36/567887336.db2.gz KSKZEJWWIQDNQV-UHFFFAOYSA-N 1 0 291.435 4.119 50 0 CIAARO CCOc1ccccc1C[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000022023229 567888207 /nfs/dbraw/zinc/88/82/07/567888207.db2.gz VWAIFCRILJHZSY-GOSISDBHSA-N 1 0 296.414 4.208 50 0 CIAARO c1ccc(CCC[N@@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000004982725 567888233 /nfs/dbraw/zinc/88/82/33/567888233.db2.gz WYTQLPYQFHPYKP-IBGZPJMESA-N 1 0 280.415 4.241 50 0 CIAARO CC[NH2+]Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1 ZINC000034656866 567888852 /nfs/dbraw/zinc/88/88/52/567888852.db2.gz XHTDAMHQXFUGGE-UHFFFAOYSA-N 1 0 283.415 4.300 50 0 CIAARO CC(C)Oc1ccccc1C[NH2+]CCC1=CCCCC1 ZINC000034992594 567889004 /nfs/dbraw/zinc/88/90/04/567889004.db2.gz PBULGKCGDBSLSC-UHFFFAOYSA-N 1 0 273.420 4.454 50 0 CIAARO C[C@@H]([NH2+]C1CCCCC1)c1ccc(Br)s1 ZINC000038001592 567890339 /nfs/dbraw/zinc/89/03/39/567890339.db2.gz KRKONIHWPKPMDY-SECBINFHSA-N 1 0 288.254 4.494 50 0 CIAARO CC(C)c1ccc(OCC[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000042770786 567891539 /nfs/dbraw/zinc/89/15/39/567891539.db2.gz OFCBIBXBIXTCLI-CQSZACIVSA-N 1 0 281.827 4.374 50 0 CIAARO CC(C)(C)c1ccc(O[C@H]2CCC[NH2+]C2)c(C(C)(C)C)c1 ZINC000042774689 567891672 /nfs/dbraw/zinc/89/16/72/567891672.db2.gz OZXGUZGDVXUDIN-HNNXBMFYSA-N 1 0 289.463 4.412 50 0 CIAARO c1ccc(Cc2ccc(OCCC3CC[NH2+]CC3)cc2)cc1 ZINC000042773275 567891684 /nfs/dbraw/zinc/89/16/84/567891684.db2.gz YVJRQTNJAJEBFP-UHFFFAOYSA-N 1 0 295.426 4.046 50 0 CIAARO CC(C)(C)c1ccc(COCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000042772023 567891692 /nfs/dbraw/zinc/89/16/92/567891692.db2.gz JGIVDEKJOKVHKK-KRWDZBQOSA-N 1 0 275.436 4.033 50 0 CIAARO CC(C)(C)c1cc(Cl)ccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042771033 567891776 /nfs/dbraw/zinc/89/17/76/567891776.db2.gz YDNZESLITDQYEF-ZDUSSCGKSA-N 1 0 295.854 4.406 50 0 CIAARO CCC(C)(C)c1ccc(OC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775296 567891882 /nfs/dbraw/zinc/89/18/82/567891882.db2.gz PRJYAWUSEKQKPZ-CYBMUJFWSA-N 1 0 295.854 4.406 50 0 CIAARO CC(C)(C)c1cc(Cl)ccc1OC[C@@H]1CCC[NH2+]C1 ZINC000042775328 567892054 /nfs/dbraw/zinc/89/20/54/567892054.db2.gz TXVNLTPROWASBB-GFCCVEGCSA-N 1 0 281.827 4.016 50 0 CIAARO Nc1c2c([nH+]c3cccc(Cl)c13)N(c1ccccc1)CC2 ZINC000004623583 567894621 /nfs/dbraw/zinc/89/46/21/567894621.db2.gz DCCKMZCHOVMDSU-UHFFFAOYSA-N 1 0 295.773 4.165 50 0 CIAARO CCC[NH2+]Cc1cn(Cc2ccccc2C)c2ccccc12 ZINC000057353167 567894788 /nfs/dbraw/zinc/89/47/88/567894788.db2.gz QCPBQYHTHKNUEU-UHFFFAOYSA-N 1 0 292.426 4.498 50 0 CIAARO CC(C)c1ccc(C[NH2+]CCc2nc3ccccc3[nH]2)cc1 ZINC000057353444 567894915 /nfs/dbraw/zinc/89/49/15/567894915.db2.gz TYCDHDNEXVVMMB-UHFFFAOYSA-N 1 0 293.414 4.019 50 0 CIAARO Cn1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)c2ccccc21 ZINC000057353177 567895161 /nfs/dbraw/zinc/89/51/61/567895161.db2.gz CMJSVPMBABXICB-UHFFFAOYSA-N 1 0 294.442 4.093 50 0 CIAARO CC[C@@H]1CCC[N@@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000059384413 567896292 /nfs/dbraw/zinc/89/62/92/567896292.db2.gz WTUFKUGXDYGWLD-NWDGAFQWSA-N 1 0 253.336 4.148 50 0 CIAARO C[C@@H](c1cccc(-c2ccc(F)cc2O)c1)[NH+]1CCCC1 ZINC000065384782 567898622 /nfs/dbraw/zinc/89/86/22/567898622.db2.gz OOYUYSXFWFKERP-ZDUSSCGKSA-N 1 0 285.362 4.355 50 0 CIAARO CC(=O)c1ccc(F)cc1-c1cccc([C@@H](C)[NH+](C)C)c1 ZINC000065407757 567898964 /nfs/dbraw/zinc/89/89/64/567898964.db2.gz YUKHJOVLGNSCNC-GFCCVEGCSA-N 1 0 285.362 4.318 50 0 CIAARO C[C@@H](c1cccs1)[N@H+](C)Cc1ccc2ccccc2n1 ZINC000065404639 567899391 /nfs/dbraw/zinc/89/93/91/567899391.db2.gz VEZGDDMGPINFGW-ZDUSSCGKSA-N 1 0 282.412 4.489 50 0 CIAARO CN1CCC([NH2+][C@@H](c2cccs2)C2CCCCC2)CC1 ZINC000065489167 567899429 /nfs/dbraw/zinc/89/94/29/567899429.db2.gz ZTLZZXXCJRDECQ-QGZVFWFLSA-N 1 0 292.492 4.053 50 0 CIAARO CC[C@@H](C)[N@H+](Cc1ccnc(C(C)C)n1)C1CCCC1 ZINC000065507691 567899584 /nfs/dbraw/zinc/89/95/84/567899584.db2.gz INZGOMLPLBFFIU-CQSZACIVSA-N 1 0 275.440 4.143 50 0 CIAARO Cc1ccc(-c2c[nH+]c(NCc3ccc(F)cc3)n2C)cc1 ZINC000004678469 567901428 /nfs/dbraw/zinc/90/14/28/567901428.db2.gz FJHVHXPBNMHJBJ-UHFFFAOYSA-N 1 0 295.361 4.147 50 0 CIAARO Cc1cccc(SC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000072435824 567902695 /nfs/dbraw/zinc/90/26/95/567902695.db2.gz LFDKQMDUKDOCBA-UHFFFAOYSA-N 1 0 298.455 4.147 50 0 CIAARO Fc1cccc([C@H]2CCCC[N@@H+]2Cc2ccco2)c1 ZINC000072457879 567902942 /nfs/dbraw/zinc/90/29/42/567902942.db2.gz ZACYBJMJENXKQO-MRXNPFEDSA-N 1 0 259.324 4.146 50 0 CIAARO ClC1=CC[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]3[C@@H]2C1 ZINC000000045186 567906011 /nfs/dbraw/zinc/90/60/11/567906011.db2.gz BWKWEYCCHXBCAS-PZDGAKPMSA-N 1 0 298.817 4.230 50 0 CIAARO CC[C@@H](C)c1ccccc1OCC[N@@H+]1CCC[C@@H](C)C1 ZINC000016247296 567908483 /nfs/dbraw/zinc/90/84/83/567908483.db2.gz ODYGTZFICIVCRH-HZPDHXFCSA-N 1 0 275.436 4.311 50 0 CIAARO Cc1cc2c(ncnc2-c2ccc([C@H](C)[NH+](C)C)cc2)s1 ZINC000097572183 567910886 /nfs/dbraw/zinc/91/08/86/567910886.db2.gz LOHXZEPEDJPTCU-LBPRGKRZSA-N 1 0 297.427 4.289 50 0 CIAARO Cc1ccc(SCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000014084399 567915325 /nfs/dbraw/zinc/91/53/25/567915325.db2.gz RUEBVRULKPKODW-UHFFFAOYSA-N 1 0 283.440 4.145 50 0 CIAARO C[N@@H+]1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000023340202 567922879 /nfs/dbraw/zinc/92/28/79/567922879.db2.gz SVMNNWFUNGOBET-MRXNPFEDSA-N 1 0 295.382 4.003 50 0 CIAARO CC(C)CC[NH2+]Cc1ccccc1SC(F)(F)F ZINC000725270567 567924863 /nfs/dbraw/zinc/92/48/63/567924863.db2.gz MJKKVOMMNCFYQQ-UHFFFAOYSA-N 1 0 277.355 4.434 50 0 CIAARO COc1ccccc1C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000248117944 567928543 /nfs/dbraw/zinc/92/85/43/567928543.db2.gz CGSFXJQDMVYZQK-HLLBOEOZSA-N 1 0 273.420 4.144 50 0 CIAARO C[C@H](C[NH2+]C[C@@H](C)c1ccccc1)c1ccccc1 ZINC000003846047 567938186 /nfs/dbraw/zinc/93/81/86/567938186.db2.gz QBFZOSQADWWNSK-HZPDHXFCSA-N 1 0 253.389 4.183 50 0 CIAARO CC[C@@H]1CC[C@@]2(C)c3[nH]c4ccccc4c3CCC[N@H+]2C1 ZINC000000488922 567939584 /nfs/dbraw/zinc/93/95/84/567939584.db2.gz VWIGIUHQLACFJB-KUHUBIRLSA-N 1 0 282.431 4.451 50 0 CIAARO C[C@H](C[NH2+]C12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000010436551 567939671 /nfs/dbraw/zinc/93/96/71/567939671.db2.gz CDZRBABYNLHABV-DGTBMVLOSA-N 1 0 269.432 4.349 50 0 CIAARO C[C@@H](C[NH2+]C12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000010436550 567939712 /nfs/dbraw/zinc/93/97/12/567939712.db2.gz CDZRBABYNLHABV-ISOUWHGUSA-N 1 0 269.432 4.349 50 0 CIAARO COc1ccc(CC[C@H](C)[NH2+]C2CCCCCC2)cc1 ZINC000012383426 567940102 /nfs/dbraw/zinc/94/01/02/567940102.db2.gz ZBTRSWWGKXTPGY-HNNXBMFYSA-N 1 0 275.436 4.329 50 0 CIAARO COc1ccc(Cl)cc1C[NH2+]CCC1=CCCCC1 ZINC000013723841 567942043 /nfs/dbraw/zinc/94/20/43/567942043.db2.gz CTKJXTVEUBZZLE-UHFFFAOYSA-N 1 0 279.811 4.329 50 0 CIAARO CCOc1cccc(C[NH2+][C@@H](C)CCc2ccccc2)c1 ZINC000013725978 567942242 /nfs/dbraw/zinc/94/22/42/567942242.db2.gz IOROESIWKOIXQN-INIZCTEOSA-N 1 0 283.415 4.196 50 0 CIAARO c1ccc2c(c1)cccc2CSC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000014196654 567942538 /nfs/dbraw/zinc/94/25/38/567942538.db2.gz KSTUIFLQOLGARF-IRXDYDNUSA-N 1 0 296.439 4.343 50 0 CIAARO Fc1ccc(CC[NH2+]Cc2ccc(Cl)cc2Cl)cc1 ZINC000016401431 567944323 /nfs/dbraw/zinc/94/43/23/567944323.db2.gz JDFNQSMQDKOLHG-UHFFFAOYSA-N 1 0 298.188 4.465 50 0 CIAARO c1ccc(-c2ncc3c(n2)CCC[C@@H]3[NH2+]C2CCCC2)cc1 ZINC000012076303 567945613 /nfs/dbraw/zinc/94/56/13/567945613.db2.gz UCQKGDZBHHZQQD-KRWDZBQOSA-N 1 0 293.414 4.053 50 0 CIAARO Cc1cc(C)cc(C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000049773234 567946811 /nfs/dbraw/zinc/94/68/11/567946811.db2.gz PMXUAJPJGGCCQY-UHFFFAOYSA-N 1 0 278.399 4.117 50 0 CIAARO c1ccc(C(OCC[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000001482139 567955890 /nfs/dbraw/zinc/95/58/90/567955890.db2.gz ZVWXNGJQZCPYLK-UHFFFAOYSA-N 1 0 295.426 4.279 50 0 in-man CIAARO Cc1ccsc1C[N@@H+](Cc1ccoc1)CC(C)C ZINC000055090745 570240229 /nfs/dbraw/zinc/24/02/29/570240229.db2.gz PZPJEHVNZOINFL-UHFFFAOYSA-N 1 0 263.406 4.308 50 0 CIAARO CCn1c2ccccc2c2cc(C[NH2+]C(C)C)ccc21 ZINC000010315437 570281723 /nfs/dbraw/zinc/28/17/23/570281723.db2.gz MRKPNGDEVYIHTE-UHFFFAOYSA-N 1 0 266.388 4.312 50 0 CIAARO CSc1ccc(CN2CCC[C@H]2c2nccs2)cc1 ZINC000215239048 570302303 /nfs/dbraw/zinc/30/23/03/570302303.db2.gz NCHLEMCNKQKPOC-AWEZNQCLSA-N 1 0 290.457 4.202 50 0 CIAARO Cc1cc([C@@H]2CCCN2Cc2oc3ccccc3c2C)no1 ZINC000215434476 570302983 /nfs/dbraw/zinc/30/29/83/570302983.db2.gz NDVYQCYQEPDUJQ-INIZCTEOSA-N 1 0 296.370 4.375 50 0 CIAARO CC(C)c1c[nH]nc1[C@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000215831310 570304242 /nfs/dbraw/zinc/30/42/42/570304242.db2.gz AXTVOJQPJPOJAS-CVEARBPZSA-N 1 0 287.451 4.069 50 0 CIAARO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000015836876 570343821 /nfs/dbraw/zinc/34/38/21/570343821.db2.gz AECYUMKKCAJWRY-SFHVURJKSA-N 1 0 251.373 4.332 50 0 CIAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000015837039 570343895 /nfs/dbraw/zinc/34/38/95/570343895.db2.gz FGPXZLMJFXTVPP-SFHVURJKSA-N 1 0 285.362 4.171 50 0 CIAARO C[NH2+]C[C@@H](CCCc1ccccc1)c1ccccc1 ZINC000088097203 570346508 /nfs/dbraw/zinc/34/65/08/570346508.db2.gz YTXWSXYOEHDQPG-GOSISDBHSA-N 1 0 253.389 4.013 50 0 CIAARO C[N@@H+]1CCC[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000255961698 570356377 /nfs/dbraw/zinc/35/63/77/570356377.db2.gz ACPNGKNHOCUVOK-QZTJIDSGSA-N 1 0 251.373 4.237 50 0 CIAARO CC[C@@H](C)[NH2+]CCCCOc1ccc2ccccc2c1 ZINC000002821866 570371404 /nfs/dbraw/zinc/37/14/04/570371404.db2.gz BRVWTBMNELWNKX-OAHLLOKOSA-N 1 0 271.404 4.387 50 0 CIAARO CC[C@@H](C)[NH2+]CCCCOc1ccc(C)cc1Cl ZINC000002821942 570371424 /nfs/dbraw/zinc/37/14/24/570371424.db2.gz NHCFAZMAMPCECY-CYBMUJFWSA-N 1 0 269.816 4.196 50 0 CIAARO [NH3+]Cc1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000003709671 570378904 /nfs/dbraw/zinc/37/89/04/570378904.db2.gz RVXUABFIYWWNLK-UHFFFAOYSA-N 1 0 272.417 4.317 50 0 CIAARO C[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000670419683 570397962 /nfs/dbraw/zinc/39/79/62/570397962.db2.gz DGCRPVNKBNUNMC-DLBZAZTESA-N 1 0 267.416 4.086 50 0 CIAARO CC[C@@H]([NH2+]Cc1ccnn1-c1ccccc1)c1cccs1 ZINC000952970227 615536157 /nfs/dbraw/zinc/53/61/57/615536157.db2.gz CKBNWTNZMSLIDT-MRXNPFEDSA-N 1 0 297.427 4.175 50 0 CIAARO CC[C@H]([NH2+]Cc1ccnn1-c1ccccc1)c1cccs1 ZINC000952970208 615819490 /nfs/dbraw/zinc/81/94/90/615819490.db2.gz CKBNWTNZMSLIDT-INIZCTEOSA-N 1 0 297.427 4.175 50 0 CIAARO