smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@@H](c1nnc(-c2cccc(O)c2)[nH]1)c1ccccc1 ZINC000095533403 185006049 /nfs/dbraw/zinc/00/60/49/185006049.db2.gz WCQVGPWFRHPTPT-CYBMUJFWSA-N 1 2 266.304 2.225 40 0 CEABLO [NH3+][C@@H](c1n[nH]c(-c2cccc(O)c2)n1)c1ccccc1 ZINC000095533403 185006051 /nfs/dbraw/zinc/00/60/51/185006051.db2.gz WCQVGPWFRHPTPT-CYBMUJFWSA-N 1 2 266.304 2.225 40 0 CEABLO CC[NH+]1CCN(Cc2cc(F)ccc2S)CC1 ZINC000095738818 185023892 /nfs/dbraw/zinc/02/38/92/185023892.db2.gz GTJJNDABEXOLPH-UHFFFAOYSA-N 1 2 254.374 2.252 40 0 CEABLO CCOC[C@@H]1Cn2ccnc2C[N@H+](Cc2ccc(C)o2)C1 ZINC000096059121 185078822 /nfs/dbraw/zinc/07/88/22/185078822.db2.gz RMKUJQHYZVTFLJ-AWEZNQCLSA-N 1 2 289.379 2.453 40 0 CEABLO CCOC[C@@H]1Cn2ccnc2C[N@@H+](Cc2ccc(C)o2)C1 ZINC000096059121 185078823 /nfs/dbraw/zinc/07/88/23/185078823.db2.gz RMKUJQHYZVTFLJ-AWEZNQCLSA-N 1 2 289.379 2.453 40 0 CEABLO c1ccc(C[N@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)nc1 ZINC000096057890 185079530 /nfs/dbraw/zinc/07/95/30/185079530.db2.gz LXUJNCWOCDAKNM-GVDBMIGSSA-N 1 2 288.391 2.240 40 0 CEABLO c1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)nc1 ZINC000096057890 185079531 /nfs/dbraw/zinc/07/95/31/185079531.db2.gz LXUJNCWOCDAKNM-GVDBMIGSSA-N 1 2 288.391 2.240 40 0 CEABLO COC[C@@H]1C[N@H+](Cc2cccs2)Cc2nn(C)cc21 ZINC000096060349 185079920 /nfs/dbraw/zinc/07/99/20/185079920.db2.gz YLAGXALUKVBDKA-NSHDSACASA-N 1 2 277.393 2.227 40 0 CEABLO COC[C@@H]1C[N@@H+](Cc2cccs2)Cc2nn(C)cc21 ZINC000096060349 185079922 /nfs/dbraw/zinc/07/99/22/185079922.db2.gz YLAGXALUKVBDKA-NSHDSACASA-N 1 2 277.393 2.227 40 0 CEABLO CCOC[C@@H]1C[N@H+](Cc2ccoc2)Cc2cnn(C)c21 ZINC000096060054 185080678 /nfs/dbraw/zinc/08/06/78/185080678.db2.gz ATSUIWWMLSAUPR-AWEZNQCLSA-N 1 2 275.352 2.149 40 0 CEABLO CCOC[C@@H]1C[N@@H+](Cc2ccoc2)Cc2cnn(C)c21 ZINC000096060054 185080680 /nfs/dbraw/zinc/08/06/80/185080680.db2.gz ATSUIWWMLSAUPR-AWEZNQCLSA-N 1 2 275.352 2.149 40 0 CEABLO Cc1nc(CN2CCc3onc(C[NH+](C)C)c3C2)cs1 ZINC000096084811 185092573 /nfs/dbraw/zinc/09/25/73/185092573.db2.gz FCRGHEALBWXONI-UHFFFAOYSA-N 1 2 292.408 2.059 40 0 CEABLO C[NH+]1CCN(C(=O)CSCc2ccccc2Cl)CC1 ZINC000008091766 343360696 /nfs/dbraw/zinc/36/06/96/343360696.db2.gz KANXXHCEIGJUNF-UHFFFAOYSA-N 1 2 298.839 2.347 40 0 CEABLO C[C@@H]1CCCC[N@@H+]1c1ccc(-n2cnnc2)cc1N ZINC000070461776 363088299 /nfs/dbraw/zinc/08/82/99/363088299.db2.gz WMIUNYRGFRRSPK-LLVKDONJSA-N 1 2 257.341 2.228 40 0 CEABLO C[C@@H]1CCCC[N@H+]1c1ccc(-n2cnnc2)cc1N ZINC000070461776 363088304 /nfs/dbraw/zinc/08/83/04/363088304.db2.gz WMIUNYRGFRRSPK-LLVKDONJSA-N 1 2 257.341 2.228 40 0 CEABLO Nc1cc(Oc2ccc(Br)cc2)nc(N)[nH+]1 ZINC000001684919 361217422 /nfs/dbraw/zinc/21/74/22/361217422.db2.gz CKCDXQZZVMZBPO-UHFFFAOYSA-N 1 2 281.113 2.196 40 0 CEABLO COc1ccc2oc(C(=O)NCc3[nH]cc[nH+]3)c(C)c2c1 ZINC000019565643 361543505 /nfs/dbraw/zinc/54/35/05/361543505.db2.gz UXTNJUKYJMFQSB-UHFFFAOYSA-N 1 2 285.303 2.403 40 0 CEABLO Nc1cc(C(F)(F)F)c[nH+]c1NC[C@H]1CCCO1 ZINC000095096667 364339935 /nfs/dbraw/zinc/33/99/35/364339935.db2.gz HFPKOWRMZYMMTE-MRVPVSSYSA-N 1 2 261.247 2.274 40 0 CEABLO CCC(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CCC2)C1 ZINC000096206559 364411077 /nfs/dbraw/zinc/41/10/77/364411077.db2.gz URSIYTZVNCQZCG-CQSZACIVSA-N 1 2 291.395 2.068 40 0 CEABLO C[C@@H](C(=O)N[C@H]1CCCC[C@@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180297756 368377160 /nfs/dbraw/zinc/37/71/60/368377160.db2.gz WOFFVVZZCUXLEF-RMEBNNNOSA-N 1 2 282.428 2.179 40 0 CEABLO C[C@@H](C(=O)N[C@H]1CCCC[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180297756 368377169 /nfs/dbraw/zinc/37/71/69/368377169.db2.gz WOFFVVZZCUXLEF-RMEBNNNOSA-N 1 2 282.428 2.179 40 0 CEABLO CO[C@H]1CSC2(C[NH+](Cc3nc(C)cs3)C2)C1 ZINC000247979336 371152076 /nfs/dbraw/zinc/15/20/76/371152076.db2.gz WJQMUXGBWLSAPG-SNVBAGLBSA-N 1 2 270.423 2.158 40 0 CEABLO CNc1nccnc1[C@@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000257220062 371610072 /nfs/dbraw/zinc/61/00/72/371610072.db2.gz DJJGNIORLPEPFW-GFCCVEGCSA-N 1 2 284.367 2.001 40 0 CEABLO CCn1ncc(C[NH2+]Cc2ccn(CC(C)C)n2)c1F ZINC000256054818 190005425 /nfs/dbraw/zinc/00/54/25/190005425.db2.gz XXZOEHNRNAILFC-UHFFFAOYSA-N 1 2 279.363 2.184 40 0 CEABLO Cc1nn(C)c(F)c1C[NH2+]Cc1ccn(CC(C)C)n1 ZINC000256050858 190002935 /nfs/dbraw/zinc/00/29/35/190002935.db2.gz GTLBGEVWVGPPEY-UHFFFAOYSA-N 1 2 279.363 2.010 40 0 CEABLO CCc1[nH+]ccn1-c1ccc(C(=O)NC2CCC2)cn1 ZINC000257289559 190027957 /nfs/dbraw/zinc/02/79/57/190027957.db2.gz PZEWWMQCJZXIPC-UHFFFAOYSA-N 1 2 270.336 2.112 40 0 CEABLO CCCn1ccc(C(=O)N2CCC[C@H]2c2[nH]cc(C)[nH+]2)n1 ZINC000257297991 190029058 /nfs/dbraw/zinc/02/90/58/190029058.db2.gz RJQMRYMMZHRXBA-ZDUSSCGKSA-N 1 2 287.367 2.302 40 0 CEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3cccc(C)n3)C2)[nH+]1 ZINC000257317620 190033075 /nfs/dbraw/zinc/03/30/75/190033075.db2.gz VKNMSLKGUSYVQS-CYBMUJFWSA-N 1 2 284.363 2.062 40 0 CEABLO C[C@H]1CCCC[N@@H+]1c1ccc(-n2cnnc2)cc1N ZINC000070461777 394586993 /nfs/dbraw/zinc/58/69/93/394586993.db2.gz WMIUNYRGFRRSPK-NSHDSACASA-N 1 2 257.341 2.228 40 0 CEABLO C[C@H]1CCCC[N@H+]1c1ccc(-n2cnnc2)cc1N ZINC000070461777 394586994 /nfs/dbraw/zinc/58/69/94/394586994.db2.gz WMIUNYRGFRRSPK-NSHDSACASA-N 1 2 257.341 2.228 40 0 CEABLO Cc1cc(N2CCC(c3nccnc3N(C)C)CC2)nc[nH+]1 ZINC000072364131 394598765 /nfs/dbraw/zinc/59/87/65/394598765.db2.gz SJEKTIHGSJLJQY-UHFFFAOYSA-N 1 2 298.394 2.025 40 0 CEABLO Cc1ccc(NC(=[NH2+])Nc2nc(C)c(C)c(=O)[nH]2)cc1 ZINC000009935233 170391200 /nfs/dbraw/zinc/39/12/00/170391200.db2.gz LHGLQNSRXZEEAO-UHFFFAOYSA-N 1 2 271.324 2.154 40 0 CEABLO CNc1cc(C)nc([C@@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000072364150 176379117 /nfs/dbraw/zinc/37/91/17/176379117.db2.gz BIAPHKMMILFVGW-LBPRGKRZSA-N 1 2 284.367 2.267 40 0 CEABLO Nc1nc([C@@H]2CCC[N@@H+]2Cc2ccncc2)cs1 ZINC000072367956 176382919 /nfs/dbraw/zinc/38/29/19/176382919.db2.gz ZPAHBHFLUQVQLC-LBPRGKRZSA-N 1 2 260.366 2.457 40 0 CEABLO Nc1nc([C@@H]2CCC[N@H+]2Cc2ccncc2)cs1 ZINC000072367956 176382921 /nfs/dbraw/zinc/38/29/21/176382921.db2.gz ZPAHBHFLUQVQLC-LBPRGKRZSA-N 1 2 260.366 2.457 40 0 CEABLO COc1ncc(C[N@@H+]2CCCC[C@@H]2c2ccncn2)cn1 ZINC000072386220 176391360 /nfs/dbraw/zinc/39/13/60/176391360.db2.gz BBACPEZVMPZMNQ-CQSZACIVSA-N 1 2 285.351 2.002 40 0 CEABLO COc1ncc(C[N@H+]2CCCC[C@@H]2c2ccncn2)cn1 ZINC000072386220 176391362 /nfs/dbraw/zinc/39/13/62/176391362.db2.gz BBACPEZVMPZMNQ-CQSZACIVSA-N 1 2 285.351 2.002 40 0 CEABLO COc1ccccc1C[N@@H+]1CCn2c(nnc2C2CC2)C1 ZINC000072397773 176395356 /nfs/dbraw/zinc/39/53/56/176395356.db2.gz VYABEAZDJHFYRV-UHFFFAOYSA-N 1 2 284.363 2.180 40 0 CEABLO COc1ccccc1C[N@H+]1CCn2c(nnc2C2CC2)C1 ZINC000072397773 176395357 /nfs/dbraw/zinc/39/53/57/176395357.db2.gz VYABEAZDJHFYRV-UHFFFAOYSA-N 1 2 284.363 2.180 40 0 CEABLO Cc1nc(N2CCC[C@@H]2c2ccnc3nccn32)cc[nH+]1 ZINC000257218798 293629842 /nfs/dbraw/zinc/62/98/42/293629842.db2.gz DELDWULNJKRAFC-GFCCVEGCSA-N 1 2 280.335 2.169 40 0 CEABLO C[C@H](C(=O)N[C@H]1CCCC[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000040161214 298185533 /nfs/dbraw/zinc/18/55/33/298185533.db2.gz WOFFVVZZCUXLEF-AHDPXTMNSA-N 1 2 282.428 2.179 40 0 CEABLO C[C@H](C(=O)N[C@H]1CCCC[C@@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000040161214 298185531 /nfs/dbraw/zinc/18/55/31/298185531.db2.gz WOFFVVZZCUXLEF-AHDPXTMNSA-N 1 2 282.428 2.179 40 0 CEABLO O[C@@H]1CC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000061708113 527674570 /nfs/dbraw/zinc/67/45/70/527674570.db2.gz SDWWHDSZZOVWTN-SECBINFHSA-N 1 2 274.133 2.155 40 0 CEABLO O[C@@H]1CC[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000061708113 527674574 /nfs/dbraw/zinc/67/45/74/527674574.db2.gz SDWWHDSZZOVWTN-SECBINFHSA-N 1 2 274.133 2.155 40 0 CEABLO CCn1cc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cn1 ZINC000121192002 365533507 /nfs/dbraw/zinc/53/35/07/365533507.db2.gz PXDLOQHUFQZOAH-CYBMUJFWSA-N 1 2 259.357 2.006 40 0 CEABLO CCn1cc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cn1 ZINC000121192002 365533512 /nfs/dbraw/zinc/53/35/12/365533512.db2.gz PXDLOQHUFQZOAH-CYBMUJFWSA-N 1 2 259.357 2.006 40 0 CEABLO CCOC[C@H]1CN(Cc2nccs2)Cc2[nH+]cn(C)c21 ZINC000096044815 185071253 /nfs/dbraw/zinc/07/12/53/185071253.db2.gz GPRMVBFACXHCBJ-LLVKDONJSA-N 1 2 292.408 2.013 40 0 CEABLO CCOC[C@H]1C[N@H+](Cc2ccoc2)Cc2nn(C)cc21 ZINC000096060373 185080864 /nfs/dbraw/zinc/08/08/64/185080864.db2.gz OOQPCCPLAKGXSZ-CYBMUJFWSA-N 1 2 275.352 2.149 40 0 CEABLO CCOC[C@H]1C[N@@H+](Cc2ccoc2)Cc2nn(C)cc21 ZINC000096060373 185080868 /nfs/dbraw/zinc/08/08/68/185080868.db2.gz OOQPCCPLAKGXSZ-CYBMUJFWSA-N 1 2 275.352 2.149 40 0 CEABLO CCNc1cc(N2CCc3ccccc3C2)nc[nH+]1 ZINC000122757983 365631119 /nfs/dbraw/zinc/63/11/19/365631119.db2.gz RWYKRDDFXGVJMM-UHFFFAOYSA-N 1 2 254.337 2.471 40 0 CEABLO CCNc1cc(N2CCc3ccccc3C2)[nH+]cn1 ZINC000122757983 365631125 /nfs/dbraw/zinc/63/11/25/365631125.db2.gz RWYKRDDFXGVJMM-UHFFFAOYSA-N 1 2 254.337 2.471 40 0 CEABLO COCCc1nc(Nc2ccc(F)cc2)cc(N)[nH+]1 ZINC000049467706 362364619 /nfs/dbraw/zinc/36/46/19/362364619.db2.gz LAFHIJMQPYVELG-UHFFFAOYSA-N 1 2 262.288 2.130 40 0 CEABLO COCCc1nc(N)cc(Nc2ccc(F)cc2)[nH+]1 ZINC000049467706 362364625 /nfs/dbraw/zinc/36/46/25/362364625.db2.gz LAFHIJMQPYVELG-UHFFFAOYSA-N 1 2 262.288 2.130 40 0 CEABLO CO[C@@H]1CCOC2(C[NH+](Cc3ccc(C)cc3)C2)C1 ZINC000585105425 345005550 /nfs/dbraw/zinc/00/55/50/345005550.db2.gz WJAUOPDFQKIRDV-OAHLLOKOSA-N 1 2 261.365 2.375 40 0 CEABLO CCC[N@@H+]1CCc2oc(C(=O)N[C@@H]3CC[C@@H](F)C3)nc2C1 ZINC000585113059 345006058 /nfs/dbraw/zinc/00/60/58/345006058.db2.gz YCOLRHHVMCFYGV-GHMZBOCLSA-N 1 2 295.358 2.063 40 0 CEABLO CCC[N@H+]1CCc2oc(C(=O)N[C@@H]3CC[C@@H](F)C3)nc2C1 ZINC000585113059 345006062 /nfs/dbraw/zinc/00/60/62/345006062.db2.gz YCOLRHHVMCFYGV-GHMZBOCLSA-N 1 2 295.358 2.063 40 0 CEABLO CCNc1cc(-c2ccncc2)[nH+]c(N[C@H](C)CC)n1 ZINC000329017344 202154849 /nfs/dbraw/zinc/15/48/49/202154849.db2.gz NKWFIXIPJGMVAK-LLVKDONJSA-N 1 2 271.368 2.025 40 0 CEABLO Nc1nc[nH+]c(N)c1NC(=O)c1ccc2ccccc2c1 ZINC000001750868 361220895 /nfs/dbraw/zinc/22/08/95/361220895.db2.gz AGKNZESQMIONOB-UHFFFAOYSA-N 1 2 279.303 2.047 40 0 CEABLO Cc1c2cc(F)ccc2oc1C(=O)N1CC[NH+](C)CC1 ZINC000016752470 361497369 /nfs/dbraw/zinc/49/73/69/361497369.db2.gz WVXACUMAPJKDNS-UHFFFAOYSA-N 1 2 276.311 2.268 40 0 CEABLO CC(C)NC(=O)N1CCN(CC2CC2)c2[nH+]cccc2C1 ZINC000096198939 364409126 /nfs/dbraw/zinc/40/91/26/364409126.db2.gz BHXCKXXWAADQOD-UHFFFAOYSA-N 1 2 288.395 2.232 40 0 CEABLO CCOC[C@H]1CCn2c[nH+]cc2CN1C(=O)C1=CCCC1 ZINC000585096963 367177211 /nfs/dbraw/zinc/17/72/11/367177211.db2.gz GBONICVOMZJQJM-CQSZACIVSA-N 1 2 289.379 2.131 40 0 CEABLO COCC[C@@H]1Cn2cccc2C[N@H+](Cc2cc(C)on2)C1 ZINC000585095480 367177793 /nfs/dbraw/zinc/17/77/93/367177793.db2.gz SVQRSLRLKIPIBQ-AWEZNQCLSA-N 1 2 289.379 2.453 40 0 CEABLO COCC[C@@H]1Cn2cccc2C[N@@H+](Cc2cc(C)on2)C1 ZINC000585095480 367177801 /nfs/dbraw/zinc/17/78/01/367177801.db2.gz SVQRSLRLKIPIBQ-AWEZNQCLSA-N 1 2 289.379 2.453 40 0 CEABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cc(C)on3)C2)[nH+]1 ZINC000257202087 190010999 /nfs/dbraw/zinc/01/09/99/190010999.db2.gz AKJIJKNXVDGKBG-LLVKDONJSA-N 1 2 274.324 2.034 40 0 CEABLO COc1ncc(C[N@@H+]2CCC[C@@]2(C)c2nccc(C)n2)cn1 ZINC000257214737 190013307 /nfs/dbraw/zinc/01/33/07/190013307.db2.gz CNFLDDOYNBLMSI-INIZCTEOSA-N 1 2 299.378 2.095 40 0 CEABLO COc1ncc(C[N@H+]2CCC[C@@]2(C)c2nccc(C)n2)cn1 ZINC000257214737 190013308 /nfs/dbraw/zinc/01/33/08/190013308.db2.gz CNFLDDOYNBLMSI-INIZCTEOSA-N 1 2 299.378 2.095 40 0 CEABLO Cc1cn(C)c([C@@H]2C[N@H+](Cc3scnc3C)CCO2)n1 ZINC000257264943 190022948 /nfs/dbraw/zinc/02/29/48/190022948.db2.gz LWPYBTOALFHREC-LBPRGKRZSA-N 1 2 292.408 2.067 40 0 CEABLO Cc1cn(C)c([C@@H]2C[N@@H+](Cc3scnc3C)CCO2)n1 ZINC000257264943 190022949 /nfs/dbraw/zinc/02/29/49/190022949.db2.gz LWPYBTOALFHREC-LBPRGKRZSA-N 1 2 292.408 2.067 40 0 CEABLO Cc1ccnc([C@H]2C[N@H+](Cc3ccncc3C)CCO2)n1 ZINC000257264253 190023435 /nfs/dbraw/zinc/02/34/35/190023435.db2.gz LTPPRCRPRUZJHE-OAHLLOKOSA-N 1 2 284.363 2.062 40 0 CEABLO Cc1ccnc([C@H]2C[N@@H+](Cc3ccncc3C)CCO2)n1 ZINC000257264253 190023436 /nfs/dbraw/zinc/02/34/36/190023436.db2.gz LTPPRCRPRUZJHE-OAHLLOKOSA-N 1 2 284.363 2.062 40 0 CEABLO Cc1c[nH]c([C@H]2CCC[N@H+]2Cc2c(C)nn(C)c2C)n1 ZINC000257292522 190027649 /nfs/dbraw/zinc/02/76/49/190027649.db2.gz QLXQPGSPWBFCAJ-CQSZACIVSA-N 1 2 273.384 2.406 40 0 CEABLO Cc1c[nH]c([C@H]2CCC[N@@H+]2Cc2c(C)nn(C)c2C)n1 ZINC000257292522 190027650 /nfs/dbraw/zinc/02/76/50/190027650.db2.gz QLXQPGSPWBFCAJ-CQSZACIVSA-N 1 2 273.384 2.406 40 0 CEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3cccc(C)n3)C2)[nH+]1 ZINC000257298781 190029661 /nfs/dbraw/zinc/02/96/61/190029661.db2.gz RNGYRDVEDGRXNE-GFCCVEGCSA-N 1 2 270.336 2.051 40 0 CEABLO Cn1nccc1C[N@@H+]1CCCC[C@H]1c1ccn2nccc2n1 ZINC000257324292 190034079 /nfs/dbraw/zinc/03/40/79/190034079.db2.gz WOAHQODIUGWKSU-HNNXBMFYSA-N 1 2 296.378 2.190 40 0 CEABLO Cn1nccc1C[N@H+]1CCCC[C@H]1c1ccn2nccc2n1 ZINC000257324292 190034080 /nfs/dbraw/zinc/03/40/80/190034080.db2.gz WOAHQODIUGWKSU-HNNXBMFYSA-N 1 2 296.378 2.190 40 0 CEABLO Cc1cccc(C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC000257327232 190034537 /nfs/dbraw/zinc/03/45/37/190034537.db2.gz XAOPBQQWNSHMRK-HNNXBMFYSA-N 1 2 298.390 2.068 40 0 CEABLO Cc1ccccc1NC(=[NH2+])Nc1nc2c(c(=O)[nH]1)CCC2 ZINC000009264442 170369212 /nfs/dbraw/zinc/36/92/12/170369212.db2.gz VTDAWJIZENCRJJ-UHFFFAOYSA-N 1 2 283.335 2.026 40 0 CEABLO CC(C)(C)OC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000071255377 176095560 /nfs/dbraw/zinc/09/55/60/176095560.db2.gz YLFYBXKESJJUMP-UHFFFAOYSA-N 1 2 251.330 2.455 40 0 CEABLO C[N@@H+]1CCCC[C@H]1c1cc(C(=O)NC2CCCC2)[nH]n1 ZINC000072380449 176387076 /nfs/dbraw/zinc/38/70/76/176387076.db2.gz JVQYGHBNEMHAFI-AWEZNQCLSA-N 1 2 276.384 2.239 40 0 CEABLO C[N@H+]1CCCC[C@H]1c1cc(C(=O)NC2CCCC2)[nH]n1 ZINC000072380449 176387078 /nfs/dbraw/zinc/38/70/78/176387078.db2.gz JVQYGHBNEMHAFI-AWEZNQCLSA-N 1 2 276.384 2.239 40 0 CEABLO C[N@@H+]1CCCC[C@H]1c1cc(C(=O)NC2CCCC2)n[nH]1 ZINC000072380449 176387079 /nfs/dbraw/zinc/38/70/79/176387079.db2.gz JVQYGHBNEMHAFI-AWEZNQCLSA-N 1 2 276.384 2.239 40 0 CEABLO C[N@H+]1CCCC[C@H]1c1cc(C(=O)NC2CCCC2)n[nH]1 ZINC000072380449 176387081 /nfs/dbraw/zinc/38/70/81/176387081.db2.gz JVQYGHBNEMHAFI-AWEZNQCLSA-N 1 2 276.384 2.239 40 0 CEABLO Cc1nc([C@H]2C[C@@H]3CC[N@H+](Cc4ccoc4)C[C@H]3O2)n[nH]1 ZINC000096046197 185071513 /nfs/dbraw/zinc/07/15/13/185071513.db2.gz OZQVXAPNDIICPT-BFHYXJOUSA-N 1 2 288.351 2.058 40 0 CEABLO Cc1nc([C@H]2C[C@@H]3CC[N@@H+](Cc4ccoc4)C[C@H]3O2)n[nH]1 ZINC000096046197 185071515 /nfs/dbraw/zinc/07/15/15/185071515.db2.gz OZQVXAPNDIICPT-BFHYXJOUSA-N 1 2 288.351 2.058 40 0 CEABLO COC[C@@H]1C[N@H+](Cc2ccsc2)Cc2ncn(C)c21 ZINC000096060182 185080831 /nfs/dbraw/zinc/08/08/31/185080831.db2.gz FXJSZLKZWSAXGA-LBPRGKRZSA-N 1 2 277.393 2.227 40 0 CEABLO COC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2ncn(C)c21 ZINC000096060182 185080833 /nfs/dbraw/zinc/08/08/33/185080833.db2.gz FXJSZLKZWSAXGA-LBPRGKRZSA-N 1 2 277.393 2.227 40 0 CEABLO COc1ccc(Nc2cc(N)nc(C)[nH+]2)c(OC)c1 ZINC000049467343 362364707 /nfs/dbraw/zinc/36/47/07/362364707.db2.gz QEGXKWHVPJUYSI-UHFFFAOYSA-N 1 2 260.297 2.128 40 0 CEABLO CO[C@@H]1CCOC2(C[NH+](Cc3ccc(F)cc3)C2)C1 ZINC000585104311 345005887 /nfs/dbraw/zinc/00/58/87/345005887.db2.gz HBXRWRHNENITLD-CQSZACIVSA-N 1 2 265.328 2.206 40 0 CEABLO Cc1cc(N2CCC[C@@](O)(COc3ccccc3)C2)nc[nH+]1 ZINC000585274856 345009923 /nfs/dbraw/zinc/00/99/23/345009923.db2.gz POAZFEBNAPELPN-KRWDZBQOSA-N 1 2 299.374 2.195 40 0 CEABLO Cc1cccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3C)n2)c1 ZINC000015675618 361476432 /nfs/dbraw/zinc/47/64/32/361476432.db2.gz BRFFUECQLDBNAZ-AWEZNQCLSA-N 1 2 295.346 2.497 40 0 biogenic,in-vitro CEABLO Cn1cc[nH+]c1CNC(=O)c1cc(-c2cccs2)on1 ZINC000019291520 361526578 /nfs/dbraw/zinc/52/65/78/361526578.db2.gz XGZFFEAFUNLGFV-UHFFFAOYSA-N 1 2 288.332 2.067 40 0 CEABLO COC[C@H]1c2c(cnn2C)CC[N@H+]1Cc1ccc(F)cc1 ZINC000096197710 364408899 /nfs/dbraw/zinc/40/88/99/364408899.db2.gz FDBWIZHUDSOQOO-HNNXBMFYSA-N 1 2 289.354 2.305 40 0 CEABLO COC[C@H]1c2c(cnn2C)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000096197710 364408901 /nfs/dbraw/zinc/40/89/01/364408901.db2.gz FDBWIZHUDSOQOO-HNNXBMFYSA-N 1 2 289.354 2.305 40 0 CEABLO COCc1cncc2c1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000096189272 364406982 /nfs/dbraw/zinc/40/69/82/364406982.db2.gz SLCVDRGQAYVFLU-UHFFFAOYSA-N 1 2 287.363 2.391 40 0 CEABLO COCc1cncc2c1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000096189272 364406986 /nfs/dbraw/zinc/40/69/86/364406986.db2.gz SLCVDRGQAYVFLU-UHFFFAOYSA-N 1 2 287.363 2.391 40 0 CEABLO c1cc2n(n1)[C@@H](COc1ccccn1)C[N@@H+](C1CCC1)C2 ZINC000253595744 371529618 /nfs/dbraw/zinc/52/96/18/371529618.db2.gz IATRXHOWJUEBIE-OAHLLOKOSA-N 1 2 284.363 2.266 40 0 CEABLO c1cc2n(n1)[C@@H](COc1ccccn1)C[N@H+](C1CCC1)C2 ZINC000253595744 371529623 /nfs/dbraw/zinc/52/96/23/371529623.db2.gz IATRXHOWJUEBIE-OAHLLOKOSA-N 1 2 284.363 2.266 40 0 CEABLO c1cc2n(n1)[C@H](COc1cccnc1)C[N@H+](CC1CC1)C2 ZINC000253596327 371529690 /nfs/dbraw/zinc/52/96/90/371529690.db2.gz PZTKQMOXFHPCGO-HNNXBMFYSA-N 1 2 284.363 2.124 40 0 CEABLO c1cc2n(n1)[C@H](COc1cccnc1)C[N@@H+](CC1CC1)C2 ZINC000253596327 371529696 /nfs/dbraw/zinc/52/96/96/371529696.db2.gz PZTKQMOXFHPCGO-HNNXBMFYSA-N 1 2 284.363 2.124 40 0 CEABLO COC[C@@H]1C[N@H+](Cc2sccc2C)Cc2cncn21 ZINC000253599547 371532564 /nfs/dbraw/zinc/53/25/64/371532564.db2.gz RAYHJLPNXYEYIH-ZDUSSCGKSA-N 1 2 277.393 2.456 40 0 CEABLO COC[C@@H]1C[N@@H+](Cc2sccc2C)Cc2cncn21 ZINC000253599547 371532570 /nfs/dbraw/zinc/53/25/70/371532570.db2.gz RAYHJLPNXYEYIH-ZDUSSCGKSA-N 1 2 277.393 2.456 40 0 CEABLO COC[C@@H]1CN(Cc2sccc2C)Cc2c[nH+]cn21 ZINC000253599547 371532573 /nfs/dbraw/zinc/53/25/73/371532573.db2.gz RAYHJLPNXYEYIH-ZDUSSCGKSA-N 1 2 277.393 2.456 40 0 CEABLO c1cn2ccc([C@H]3CCCN3c3ncccn3)cc2[nH+]1 ZINC000257231382 371610555 /nfs/dbraw/zinc/61/05/55/371610555.db2.gz GGLVHRILJSCFTK-CYBMUJFWSA-N 1 2 265.320 2.466 40 0 CEABLO CCOCC[C@@H]1CCOC2(C[NH+](Cc3ccncc3)C2)C1 ZINC000253386865 189986865 /nfs/dbraw/zinc/98/68/65/189986865.db2.gz YHHWBBIEJPRKCF-OAHLLOKOSA-N 1 2 290.407 2.489 40 0 CEABLO CCCn1ccc(C[NH2+]Cc2cnn(C(C)C)c2)n1 ZINC000256051527 190003454 /nfs/dbraw/zinc/00/34/54/190003454.db2.gz JMIQMEWPLSTASX-UHFFFAOYSA-N 1 2 261.373 2.360 40 0 CEABLO CCCn1nccc1C[NH2+]Cc1ccn(C(F)F)n1 ZINC000256052473 190004504 /nfs/dbraw/zinc/00/45/04/190004504.db2.gz NLVIMGIPWMEPRB-UHFFFAOYSA-N 1 2 269.299 2.175 40 0 CEABLO CCn1ncc(C[NH2+]Cc2cc(C(C)C)nn2C)c1F ZINC000256054409 190005768 /nfs/dbraw/zinc/00/57/68/190005768.db2.gz WDQXDDYBGSCGGI-UHFFFAOYSA-N 1 2 279.363 2.189 40 0 CEABLO CC1(c2nccs2)CC[NH+](Cc2ncc[nH]2)CC1 ZINC000257230443 190016450 /nfs/dbraw/zinc/01/64/50/190016450.db2.gz GCJCDCCLANOOQL-UHFFFAOYSA-N 1 2 262.382 2.420 40 0 CEABLO Cc1cc(CC2CCN(C(=O)c3nccn3C)CC2)cc[nH+]1 ZINC000257254084 190020829 /nfs/dbraw/zinc/02/08/29/190020829.db2.gz KBNCIHAGCIUOKA-UHFFFAOYSA-N 1 2 298.390 2.218 40 0 CEABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3cnc(C4CC4)nc3)C2)[nH+]1 ZINC000257247391 190019282 /nfs/dbraw/zinc/01/92/82/190019282.db2.gz IYVLGUBANSRVNL-LBPRGKRZSA-N 1 2 297.362 2.015 40 0 CEABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2ccc(C)[nH]c2=O)[nH+]1 ZINC000257251589 190020142 /nfs/dbraw/zinc/02/01/42/190020142.db2.gz JRKHKZFHOAHXDY-GFCCVEGCSA-N 1 2 286.335 2.104 40 0 CEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)CC3(O)CCCCC3)C2)[nH+]1 ZINC000257304247 190030135 /nfs/dbraw/zinc/03/01/35/190030135.db2.gz SKSSCZAQZBUWAI-CYBMUJFWSA-N 1 2 291.395 2.119 40 0 CEABLO C[N@@H+]1CCC[C@H](c2nccnc2-c2cccc(C(N)=O)c2)C1 ZINC000257323805 190033908 /nfs/dbraw/zinc/03/39/08/190033908.db2.gz WLWYWOIQZFALAF-AWEZNQCLSA-N 1 2 296.374 2.052 40 0 CEABLO C[N@H+]1CCC[C@H](c2nccnc2-c2cccc(C(N)=O)c2)C1 ZINC000257323805 190033909 /nfs/dbraw/zinc/03/39/09/190033909.db2.gz WLWYWOIQZFALAF-AWEZNQCLSA-N 1 2 296.374 2.052 40 0 CEABLO CO[C@H]1CCOC2(C[NH+](Cc3sccc3C)C2)C1 ZINC000253599241 277342829 /nfs/dbraw/zinc/34/28/29/277342829.db2.gz MTNWQBQWOJFQSL-LBPRGKRZSA-N 1 2 267.394 2.436 40 0 CEABLO Cc1[nH+]cc(CO)c(Cc2ccc(N(C)C)cc2)c1O ZINC000013281642 326838899 /nfs/dbraw/zinc/83/88/99/326838899.db2.gz CLZAYEZOCKNXDM-UHFFFAOYSA-N 1 2 272.348 2.245 40 0 CEABLO CCCn1c[nH+]cc1C[S@@](=O)c1ccc(N)cc1 ZINC000090448577 179987030 /nfs/dbraw/zinc/98/70/30/179987030.db2.gz QPYRLSBRGMJDHW-SFHVURJKSA-N 1 2 263.366 2.183 40 0 CEABLO C[N@@H+]1CCO[C@@H](COc2ccccc2Br)C1 ZINC000092056786 180314597 /nfs/dbraw/zinc/31/45/97/180314597.db2.gz POJIMVQKFORQPG-SNVBAGLBSA-N 1 2 286.169 2.159 40 0 CEABLO C[N@H+]1CCO[C@@H](COc2ccccc2Br)C1 ZINC000092056786 180314598 /nfs/dbraw/zinc/31/45/98/180314598.db2.gz POJIMVQKFORQPG-SNVBAGLBSA-N 1 2 286.169 2.159 40 0 CEABLO CNc1cc(C)[nH+]c([C@@H]2CCCN(c3cnccn3)C2)n1 ZINC000072356730 363131455 /nfs/dbraw/zinc/13/14/55/363131455.db2.gz OJVTYSORTJGSJQ-GFCCVEGCSA-N 1 2 284.367 2.001 40 0 CEABLO Cc1cccc(O[C@H](C)C(=O)NCCCn2cc[nH+]c2)c1 ZINC000014399420 361457114 /nfs/dbraw/zinc/45/71/14/361457114.db2.gz ABZYCCHSBKEQHB-CQSZACIVSA-N 1 2 287.363 2.165 40 0 CEABLO C[C@H](C(=O)N[C@@H](C)Cc1cccs1)n1cc[nH+]c1 ZINC000019457233 361536117 /nfs/dbraw/zinc/53/61/17/361536117.db2.gz GDVOSUXTPHTZJS-WDEREUQCSA-N 1 2 263.366 2.253 40 0 CEABLO C[C@H]1C[NH+](Cc2ccnc(-c3ccncc3)n2)C[C@H](C)O1 ZINC000019497559 361538414 /nfs/dbraw/zinc/53/84/14/361538414.db2.gz GESQJDNJSKCVEJ-STQMWFEESA-N 1 2 284.363 2.148 40 0 CEABLO CC(C)(C)c1c[nH]c([C@@H]2COCCN2Cc2c[nH+]c[nH]2)n1 ZINC000225400512 370293234 /nfs/dbraw/zinc/29/32/34/370293234.db2.gz ZGYGPKFMZAHAMZ-LBPRGKRZSA-N 1 2 289.383 2.004 40 0 biogenic,in-vitro CEABLO CCn1nc(C)c(C[NH2+]Cc2ccn(CC(C)C)n2)c1F ZINC000256050564 190003252 /nfs/dbraw/zinc/00/32/52/190003252.db2.gz FNRZTVQJNYSNSV-UHFFFAOYSA-N 1 2 293.390 2.493 40 0 CEABLO CC(C)Cn1cc(C[NH2+]Cc2ccn(CC(F)F)n2)cn1 ZINC000256051105 190003949 /nfs/dbraw/zinc/00/39/49/190003949.db2.gz HSVQRALZWXAYLC-UHFFFAOYSA-N 1 2 297.353 2.291 40 0 CEABLO CCCn1nccc1C[NH2+]Cc1ccn(CC(F)F)n1 ZINC000256052753 190004534 /nfs/dbraw/zinc/00/45/34/190004534.db2.gz OMUGOJUMWQLYBV-UHFFFAOYSA-N 1 2 283.326 2.045 40 0 CEABLO Nc1cccc([C@H]2C[N@H+](CCOc3ccccc3)CCO2)n1 ZINC000257217317 190013976 /nfs/dbraw/zinc/01/39/76/190013976.db2.gz CYLRRNQPFKVDGV-MRXNPFEDSA-N 1 2 299.374 2.116 40 0 CEABLO Nc1cccc([C@H]2C[N@@H+](CCOc3ccccc3)CCO2)n1 ZINC000257217317 190013977 /nfs/dbraw/zinc/01/39/77/190013977.db2.gz CYLRRNQPFKVDGV-MRXNPFEDSA-N 1 2 299.374 2.116 40 0 CEABLO Cc1c[nH]nc1[C@@H]1CCCC[N@@H+]1Cc1cnccn1 ZINC000257224533 190015642 /nfs/dbraw/zinc/01/56/42/190015642.db2.gz FCEYIJKJKWDVIU-ZDUSSCGKSA-N 1 2 257.341 2.235 40 0 CEABLO Cc1c[nH]nc1[C@@H]1CCCC[N@H+]1Cc1cnccn1 ZINC000257224533 190015643 /nfs/dbraw/zinc/01/56/43/190015643.db2.gz FCEYIJKJKWDVIU-ZDUSSCGKSA-N 1 2 257.341 2.235 40 0 CEABLO Cc1c[nH]c([C@H]2CCCN2S(=O)(=O)c2cccs2)[nH+]1 ZINC000257235791 190017075 /nfs/dbraw/zinc/01/70/75/190017075.db2.gz GZMDPWSAXYTZNJ-SNVBAGLBSA-N 1 2 297.405 2.305 40 0 CEABLO CNc1cc([C@H]2CCCN2C(=O)C2CCOCC2)cc[nH+]1 ZINC000257239387 190018112 /nfs/dbraw/zinc/01/81/12/190018112.db2.gz HPBONEBRISTJMT-CQSZACIVSA-N 1 2 289.379 2.213 40 0 CEABLO Cc1nc(Nc2nncs2)cc([C@H]2CCCC[NH2+]2)n1 ZINC000257241303 190018612 /nfs/dbraw/zinc/01/86/12/190018612.db2.gz HXOHLSLHHMPEPD-SECBINFHSA-N 1 2 276.369 2.195 40 0 CEABLO CNc1nccnc1[C@@H]1C[N@H+](Cc2cccs2)CCO1 ZINC000257271287 190023754 /nfs/dbraw/zinc/02/37/54/190023754.db2.gz MXRNBIRPDSUALP-LBPRGKRZSA-N 1 2 290.392 2.153 40 0 CEABLO CNc1nccnc1[C@@H]1C[N@@H+](Cc2cccs2)CCO1 ZINC000257271287 190023755 /nfs/dbraw/zinc/02/37/55/190023755.db2.gz MXRNBIRPDSUALP-LBPRGKRZSA-N 1 2 290.392 2.153 40 0 CEABLO Cn1cc[nH+]c1CN1CCCC[C@H]1c1ccn2nccc2n1 ZINC000257314998 190032914 /nfs/dbraw/zinc/03/29/14/190032914.db2.gz UZMLHGFXAUUYEN-AWEZNQCLSA-N 1 2 296.378 2.190 40 0 CEABLO Cn1ccnc1C[N@@H+]1CCCC[C@H]1c1ccn2nccc2n1 ZINC000257314998 190032915 /nfs/dbraw/zinc/03/29/15/190032915.db2.gz UZMLHGFXAUUYEN-AWEZNQCLSA-N 1 2 296.378 2.190 40 0 CEABLO Cn1ccnc1C[N@H+]1CCCC[C@H]1c1ccn2nccc2n1 ZINC000257314998 190032916 /nfs/dbraw/zinc/03/29/16/190032916.db2.gz UZMLHGFXAUUYEN-AWEZNQCLSA-N 1 2 296.378 2.190 40 0 CEABLO Cc1nc(-c2nccs2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000257325736 190034416 /nfs/dbraw/zinc/03/44/16/190034416.db2.gz WUFFAFSUWNAJJN-SNVBAGLBSA-N 1 2 260.366 2.376 40 0 CEABLO CC(=O)N1CCC[C@@H]1c1ccc(N2CCCC2)[nH+]c1 ZINC000072215915 394593134 /nfs/dbraw/zinc/59/31/34/394593134.db2.gz SHXDXRDFUMVGQV-CQSZACIVSA-N 1 2 259.353 2.365 40 0 CEABLO C[C@H](NC(=O)Cn1cc[nH+]c1)c1ccc2c(c1)CCCO2 ZINC000019458910 170804045 /nfs/dbraw/zinc/80/40/45/170804045.db2.gz GFSMOLKEDINHBI-LBPRGKRZSA-N 1 2 285.347 2.086 40 0 CEABLO CNc1ncccc1C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000072386194 176391754 /nfs/dbraw/zinc/39/17/54/176391754.db2.gz YSNOQJADAJMTBT-GFCCVEGCSA-N 1 2 271.368 2.226 40 0 CEABLO CNc1ncccc1C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000072386194 176391756 /nfs/dbraw/zinc/39/17/56/176391756.db2.gz YSNOQJADAJMTBT-GFCCVEGCSA-N 1 2 271.368 2.226 40 0 CEABLO O=C1C[NH2+][C@@H](c2ccccc2)[C@@H](c2ccccc2)N1 ZINC000061952974 260234856 /nfs/dbraw/zinc/23/48/56/260234856.db2.gz OXNZYVLTFNKTNK-JKSUJKDBSA-N 1 2 252.317 2.188 40 0 CEABLO Cc1c[nH]nc1C[C@@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000257208301 281567470 /nfs/dbraw/zinc/56/74/70/281567470.db2.gz BLNMVEINAAUBGK-ZDUSSCGKSA-N 1 2 271.368 2.276 40 0 CEABLO C[NH+](C)[C@@]1(C)COc2ccc(Br)cc2C1=O ZINC000055125031 289340168 /nfs/dbraw/zinc/34/01/68/289340168.db2.gz RGHLWEHXQXDNTH-LBPRGKRZSA-N 1 2 284.153 2.345 40 0 CEABLO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1scnc1C ZINC000096041454 185070502 /nfs/dbraw/zinc/07/05/02/185070502.db2.gz MXOKQTMDUFINGD-OUCADQQQSA-N 1 2 282.409 2.220 40 0 CEABLO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1scnc1C ZINC000096041454 185070503 /nfs/dbraw/zinc/07/05/03/185070503.db2.gz MXOKQTMDUFINGD-OUCADQQQSA-N 1 2 282.409 2.220 40 0 CEABLO O=C(Cn1c2ccccc2c2c1CCC2)NC1=[NH+]CCS1 ZINC000036708641 361851361 /nfs/dbraw/zinc/85/13/61/361851361.db2.gz SRXKROJELABPAA-UHFFFAOYSA-N 1 2 299.399 2.349 40 0 CEABLO CNc1nc(Nc2c(F)cc(F)cc2F)cc(C2CC2)[nH+]1 ZINC000329007243 202150136 /nfs/dbraw/zinc/15/01/36/202150136.db2.gz LJXODBWJEMRONR-UHFFFAOYSA-N 1 2 294.280 2.400 40 0 CEABLO C=C1[NH+]=C(SC)N[C@@H](c2ccco2)C1C(=O)OCC ZINC000408731219 538779529 /nfs/dbraw/zinc/77/95/29/538779529.db2.gz LHFLZSDJZUABHC-NSHDSACASA-N 1 2 280.349 2.480 40 0 CEABLO COc1ccc2c(c1)CC[C@@H]([N@@H+]1CCCC(=O)C1)C2 ZINC000004792361 361328443 /nfs/dbraw/zinc/32/84/43/361328443.db2.gz OHMWSEMESYBIMK-CQSZACIVSA-N 1 2 259.349 2.217 40 0 CEABLO COc1ccc2c(c1)CC[C@@H]([N@H+]1CCCC(=O)C1)C2 ZINC000004792361 361328447 /nfs/dbraw/zinc/32/84/47/361328447.db2.gz OHMWSEMESYBIMK-CQSZACIVSA-N 1 2 259.349 2.217 40 0 CEABLO Nc1ccc([NH+]2CCCCC2)c(C(=O)N2CCCC2)c1 ZINC000006663666 361337933 /nfs/dbraw/zinc/33/79/33/361337933.db2.gz SYYVJDCZBFNBQI-UHFFFAOYSA-N 1 2 273.380 2.495 40 0 CEABLO CCOc1ccc(C(=O)[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000019366343 361528761 /nfs/dbraw/zinc/52/87/61/361528761.db2.gz BVFITKDNSDTIBL-AWEZNQCLSA-N 1 2 290.407 2.152 40 0 CEABLO COC(=O)[C@@H](C(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000022123383 361587133 /nfs/dbraw/zinc/58/71/33/361587133.db2.gz XNUGTCRMKKSQBQ-OAHLLOKOSA-N 1 2 276.380 2.006 40 0 CEABLO O=C(Nc1ccc(Cl)cc1)OCC[NH+]1CCOCC1 ZINC000031624144 361714373 /nfs/dbraw/zinc/71/43/73/361714373.db2.gz SECGEWAGZPZPBR-UHFFFAOYSA-N 1 2 284.743 2.221 40 0 CEABLO CO[C@@H]1Cn2nccc2C[N@H+](Cc2ccccc2F)C1 ZINC000247844311 371143853 /nfs/dbraw/zinc/14/38/53/371143853.db2.gz MDZQKWCRSLUJNS-AWEZNQCLSA-N 1 2 275.327 2.053 40 0 CEABLO CO[C@@H]1Cn2nccc2C[N@@H+](Cc2ccccc2F)C1 ZINC000247844311 371143856 /nfs/dbraw/zinc/14/38/56/371143856.db2.gz MDZQKWCRSLUJNS-AWEZNQCLSA-N 1 2 275.327 2.053 40 0 CEABLO CCOC[C@@H]1CN(Cc2ccco2)Cc2c[nH+]cn21 ZINC000253385556 371513515 /nfs/dbraw/zinc/51/35/15/371513515.db2.gz SZWFGCCLDGZHCL-ZDUSSCGKSA-N 1 2 261.325 2.070 40 0 CEABLO CCCn1ccc(C[NH2+]Cc2cc(C)nn2CCC)n1 ZINC000256050546 190003415 /nfs/dbraw/zinc/00/34/15/190003415.db2.gz FKQOPEYMPGKOSV-UHFFFAOYSA-N 1 2 275.400 2.498 40 0 CEABLO CCCn1cc(C[N@@H+]2CCC[C@H](Cc3ccn[nH]3)C2)cn1 ZINC000257208582 190012622 /nfs/dbraw/zinc/01/26/22/190012622.db2.gz BMTJMYIZPJRJCU-CQSZACIVSA-N 1 2 287.411 2.471 40 0 CEABLO CCCn1cc(C[N@H+]2CCC[C@H](Cc3ccn[nH]3)C2)cn1 ZINC000257208582 190012623 /nfs/dbraw/zinc/01/26/23/190012623.db2.gz BMTJMYIZPJRJCU-CQSZACIVSA-N 1 2 287.411 2.471 40 0 CEABLO c1cc(C[N@H+]2CCOC[C@H]2CCc2cnccn2)cs1 ZINC000257214780 190012920 /nfs/dbraw/zinc/01/29/20/190012920.db2.gz CNKPCHNAEMNMLH-OAHLLOKOSA-N 1 2 289.404 2.372 40 0 CEABLO c1cc(C[N@@H+]2CCOC[C@H]2CCc2cnccn2)cs1 ZINC000257214780 190012921 /nfs/dbraw/zinc/01/29/21/190012921.db2.gz CNKPCHNAEMNMLH-OAHLLOKOSA-N 1 2 289.404 2.372 40 0 CEABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)COc2ccccc2)[nH+]1 ZINC000257215307 190013167 /nfs/dbraw/zinc/01/31/67/190013167.db2.gz CPNYBONUOQLAKA-AWEZNQCLSA-N 1 2 285.347 2.461 40 0 CEABLO COc1ccccc1[C@@H]1CN(C(=O)C2CCC2)CC[N@@H+]1C ZINC000257230867 190015846 /nfs/dbraw/zinc/01/58/46/190015846.db2.gz GEGFQFZMRFVDSN-HNNXBMFYSA-N 1 2 288.391 2.310 40 0 CEABLO COc1ccccc1[C@@H]1CN(C(=O)C2CCC2)CC[N@H+]1C ZINC000257230867 190015847 /nfs/dbraw/zinc/01/58/47/190015847.db2.gz GEGFQFZMRFVDSN-HNNXBMFYSA-N 1 2 288.391 2.310 40 0 CEABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cccc(C)n3)C2)[nH+]1 ZINC000257252544 190020880 /nfs/dbraw/zinc/02/08/80/190020880.db2.gz JVDZCSMWVIYVLU-CYBMUJFWSA-N 1 2 284.363 2.441 40 0 CEABLO CCc1cc(C(=O)N2CCC[C@H]2c2[nH+]c(C)cn2C)no1 ZINC000257248457 190019822 /nfs/dbraw/zinc/01/98/22/190019822.db2.gz JDTGFNVFFSEULZ-ZDUSSCGKSA-N 1 2 288.351 2.256 40 0 CEABLO COc1cccc(OC)c1C[N@@H+]1CC[C@@H](c2ccn[nH]2)C1 ZINC000257283652 190026494 /nfs/dbraw/zinc/02/64/94/190026494.db2.gz OZFPERYVYYLLSH-GFCCVEGCSA-N 1 2 287.363 2.416 40 0 CEABLO COc1cccc(OC)c1C[N@H+]1CC[C@@H](c2ccn[nH]2)C1 ZINC000257283652 190026495 /nfs/dbraw/zinc/02/64/95/190026495.db2.gz OZFPERYVYYLLSH-GFCCVEGCSA-N 1 2 287.363 2.416 40 0 CEABLO CC(=O)N1CCC(c2cccc3[nH+]c(C)cn32)CC1 ZINC000257299598 190029740 /nfs/dbraw/zinc/02/97/40/190029740.db2.gz RQSNHDXFEDOBHG-UHFFFAOYSA-N 1 2 257.337 2.369 40 0 CEABLO CCNc1nc(NC(C)C)cc(-c2ccccc2)[nH+]1 ZINC000329067203 376930283 /nfs/dbraw/zinc/93/02/83/376930283.db2.gz YGDJCDYCLVYJTN-UHFFFAOYSA-N 1 2 256.353 2.240 40 0 CEABLO CC[NH+]1C=CC(=C2N=c3cc(C)c(Cl)cc3=N2)C=C1 ZINC000409416117 285179445 /nfs/dbraw/zinc/17/94/45/285179445.db2.gz KMWAWKYKIZBWRP-UHFFFAOYSA-N 1 2 271.751 2.476 40 0 CEABLO CNc1nc(NCc2ccco2)cc(-c2ccccc2)[nH+]1 ZINC000329064246 394560521 /nfs/dbraw/zinc/56/05/21/394560521.db2.gz XIEVUHNDRFQHOZ-UHFFFAOYSA-N 1 2 280.331 2.234 40 0 CEABLO CC(=O)N1CCC[C@@H]1c1ccc[nH+]c1N1CCCC1 ZINC000072215975 394592899 /nfs/dbraw/zinc/59/28/99/394592899.db2.gz YCPDERQUDAMDIG-CQSZACIVSA-N 1 2 259.353 2.365 40 0 CEABLO CC(=O)N1CCC[C@H]1c1ccc[nH+]c1N1CCCC1 ZINC000072215976 394593291 /nfs/dbraw/zinc/59/32/91/394593291.db2.gz YCPDERQUDAMDIG-AWEZNQCLSA-N 1 2 259.353 2.365 40 0 CEABLO CCc1nnc(Nc2cc([C@H]3CCC[NH2+]3)nc(C)n2)s1 ZINC000072382170 176387984 /nfs/dbraw/zinc/38/79/84/176387984.db2.gz ICJPCPSUIMGMJK-SECBINFHSA-N 1 2 290.396 2.367 40 0 CEABLO CC(C)(O)c1cc(=[NH2+])sc2nc3ccccc3n21 ZINC000000249746 275866241 /nfs/dbraw/zinc/86/62/41/275866241.db2.gz BYSLFSOXWFOBAZ-UHFFFAOYSA-N 1 2 259.334 2.256 40 0 CEABLO CC(C)[C@@H]([NH3+])c1nnc(COc2ccc(F)cc2)[nH]1 ZINC000095534741 185006611 /nfs/dbraw/zinc/00/66/11/185006611.db2.gz PFJDIKBMKJQSCO-GFCCVEGCSA-N 1 2 264.304 2.179 40 0 CEABLO Nc1nc(Cl)c2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC000034287761 361788593 /nfs/dbraw/zinc/78/85/93/361788593.db2.gz AIFHNRTXIAZQOR-UHFFFAOYSA-N 1 2 274.755 2.271 40 0 CEABLO Nc1nc(Cl)c2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC000034287761 361788597 /nfs/dbraw/zinc/78/85/97/361788597.db2.gz AIFHNRTXIAZQOR-UHFFFAOYSA-N 1 2 274.755 2.271 40 0 CEABLO CCOC(=O)c1cc(N)n(-c2cc[nH+]c3ccccc32)n1 ZINC000095094650 344236271 /nfs/dbraw/zinc/23/62/71/344236271.db2.gz DWFJZUVBLXATDK-UHFFFAOYSA-N 1 2 282.303 2.179 40 0 CEABLO CO[C@@]1(COc2ccccc2)CC[N@H+](Cc2cnc[nH]2)C1 ZINC000585275127 345009687 /nfs/dbraw/zinc/00/96/87/345009687.db2.gz XTKUIHKQHUARDO-INIZCTEOSA-N 1 2 287.363 2.080 40 0 CEABLO CO[C@@]1(COc2ccccc2)CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000585275127 345009688 /nfs/dbraw/zinc/00/96/88/345009688.db2.gz XTKUIHKQHUARDO-INIZCTEOSA-N 1 2 287.363 2.080 40 0 CEABLO Cc1cc(N2CCC(c3ccnc(N(C)C)n3)CC2)nc[nH+]1 ZINC000072364140 363130915 /nfs/dbraw/zinc/13/09/15/363130915.db2.gz ABFBJOOCZHFRHI-UHFFFAOYSA-N 1 2 298.394 2.025 40 0 CEABLO CNc1cc(-c2ccncc2)[nH+]c(NC(C)(C)C)n1 ZINC000329029668 202160321 /nfs/dbraw/zinc/16/03/21/202160321.db2.gz QAALKJBZGMAFHQ-UHFFFAOYSA-N 1 2 257.341 2.213 40 0 CEABLO CNc1nc(Nc2ccc(OC)c(F)c2)cc(C2CC2)[nH+]1 ZINC000329027091 202156598 /nfs/dbraw/zinc/15/65/98/202156598.db2.gz PQULHVNQTWUVRP-UHFFFAOYSA-N 1 2 288.326 2.131 40 0 CEABLO CC[C@@H](Oc1ccccc1Cl)C(=O)N1CC[NH+](C)CC1 ZINC000030853718 361703710 /nfs/dbraw/zinc/70/37/10/361703710.db2.gz WPUNZXSLXUUNGE-CYBMUJFWSA-N 1 2 296.798 2.271 40 0 CEABLO CCO[C@@H]1CSC2(C[NH+](Cc3cc(C)on3)C2)C1 ZINC000247881533 371145818 /nfs/dbraw/zinc/14/58/18/371145818.db2.gz CDEXGSILFVXCKV-LBPRGKRZSA-N 1 2 268.382 2.079 40 0 CEABLO COc1ccccc1C[NH2+]Cc1ccn(CC(F)F)n1 ZINC000256054998 190005420 /nfs/dbraw/zinc/00/54/20/190005420.db2.gz YSHKNJWHJNBHMI-UHFFFAOYSA-N 1 2 281.306 2.447 40 0 CEABLO Cc1nccc([C@H]2C[N@H+](CCOc3ccccc3)CCO2)n1 ZINC000257206522 190011298 /nfs/dbraw/zinc/01/12/98/190011298.db2.gz BDVVNRCTWSHAPM-QGZVFWFLSA-N 1 2 299.374 2.237 40 0 CEABLO Cc1nccc([C@H]2C[N@@H+](CCOc3ccccc3)CCO2)n1 ZINC000257206522 190011299 /nfs/dbraw/zinc/01/12/99/190011299.db2.gz BDVVNRCTWSHAPM-QGZVFWFLSA-N 1 2 299.374 2.237 40 0 CEABLO Cc1c[nH]c([C@H]2CCN(C(=O)Cc3cccs3)C2)[nH+]1 ZINC000257208052 190012035 /nfs/dbraw/zinc/01/20/35/190012035.db2.gz BKMCYWUKUODUFU-NSHDSACASA-N 1 2 275.377 2.338 40 0 CEABLO Cc1ccnc([C@@]2(C)CCCN2Cc2c[nH+]cn2C)n1 ZINC000257217880 190013685 /nfs/dbraw/zinc/01/36/85/190013685.db2.gz DAYZFTQFNBUYBO-OAHLLOKOSA-N 1 2 271.368 2.030 40 0 CEABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)Cc3cccnc3)C2)[nH+]1 ZINC000257267257 190022936 /nfs/dbraw/zinc/02/29/36/190022936.db2.gz MGORECZMEMILBD-OAHLLOKOSA-N 1 2 298.390 2.072 40 0 CEABLO CNc1cc([C@H]2CCCN2C(=O)c2cccn2C)cc[nH+]1 ZINC000257253480 190020990 /nfs/dbraw/zinc/02/09/90/190020990.db2.gz JZCCCZWJSBNLTO-CYBMUJFWSA-N 1 2 284.363 2.439 40 0 CEABLO Cc1c[nH]c([C@H]2CCN(C(=O)CC3(O)CCCCC3)C2)[nH+]1 ZINC000257304248 190030563 /nfs/dbraw/zinc/03/05/63/190030563.db2.gz SKSSCZAQZBUWAI-ZDUSSCGKSA-N 1 2 291.395 2.119 40 0 CEABLO Nc1ccc([NH2+]Cc2ccccc2)c(-n2cnnc2)c1 ZINC000216751025 394452610 /nfs/dbraw/zinc/45/26/10/394452610.db2.gz NVJWEJWOXNQNAM-UHFFFAOYSA-N 1 2 265.320 2.462 40 0 CEABLO CNc1cccc([C@@H]2CCCN(C(=O)c3cnco3)C2)[nH+]1 ZINC000072364610 176379765 /nfs/dbraw/zinc/37/97/65/176379765.db2.gz MEBUFXBXEGKWIE-LLVKDONJSA-N 1 2 286.335 2.131 40 0 CEABLO CC(=O)N1CC[NH2+][C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000072366074 176381382 /nfs/dbraw/zinc/38/13/82/176381382.db2.gz YLXCFZBGBXKTRF-LBPRGKRZSA-N 1 2 272.270 2.198 40 0 CEABLO C[N@@H+]1CCCC[C@H]1c1ccnc(Nc2ncccn2)n1 ZINC000072377379 176385824 /nfs/dbraw/zinc/38/58/24/176385824.db2.gz AMJAKDBCWOKXER-LBPRGKRZSA-N 1 2 270.340 2.167 40 0 CEABLO C[N@H+]1CCCC[C@H]1c1ccnc(Nc2ncccn2)n1 ZINC000072377379 176385825 /nfs/dbraw/zinc/38/58/25/176385825.db2.gz AMJAKDBCWOKXER-LBPRGKRZSA-N 1 2 270.340 2.167 40 0 CEABLO Cc1cc(N2CCCC[C@H]2c2cnccn2)nc[nH+]1 ZINC000072385556 301334447 /nfs/dbraw/zinc/33/44/47/301334447.db2.gz OIOHGNHENPQJRR-ZDUSSCGKSA-N 1 2 255.325 2.307 40 0 CEABLO [NH3+][C@@H](c1nnc(-c2ccc(O)cc2)[nH]1)c1ccc(F)cc1 ZINC000095533266 185007166 /nfs/dbraw/zinc/00/71/66/185007166.db2.gz BHPXBSYAHRCSEM-CYBMUJFWSA-N 1 2 284.294 2.365 40 0 CEABLO [NH3+][C@@H](c1nc(-c2ccc(O)cc2)n[nH]1)c1ccc(F)cc1 ZINC000095533266 185007168 /nfs/dbraw/zinc/00/71/68/185007168.db2.gz BHPXBSYAHRCSEM-CYBMUJFWSA-N 1 2 284.294 2.365 40 0 CEABLO COc1cccc([C@@H]([NH3+])c2nc(C(C)(C)C)n[nH]2)c1 ZINC000095533592 185007184 /nfs/dbraw/zinc/00/71/84/185007184.db2.gz YYLQPGMJCYOWCG-LLVKDONJSA-N 1 2 260.341 2.159 40 0 CEABLO COc1cccc([C@@H]([NH3+])c2nnc(C(C)(C)C)[nH]2)c1 ZINC000095533592 185007185 /nfs/dbraw/zinc/00/71/85/185007185.db2.gz YYLQPGMJCYOWCG-LLVKDONJSA-N 1 2 260.341 2.159 40 0 CEABLO Cc1ccc([C@H]([NH3+])c2nnc(-c3ccncc3)[nH]2)cc1 ZINC000095534070 185007370 /nfs/dbraw/zinc/00/73/70/185007370.db2.gz VIFXVZRNRCQNTO-ZDUSSCGKSA-N 1 2 265.320 2.223 40 0 CEABLO Cc1ccc([C@H]([NH3+])c2n[nH]c(-c3ccncc3)n2)cc1 ZINC000095534070 185007372 /nfs/dbraw/zinc/00/73/72/185007372.db2.gz VIFXVZRNRCQNTO-ZDUSSCGKSA-N 1 2 265.320 2.223 40 0 CEABLO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1cccc(C)n1 ZINC000096041441 185070630 /nfs/dbraw/zinc/07/06/30/185070630.db2.gz UOJMEBKBNWDVND-ARFHVFGLSA-N 1 2 276.380 2.158 40 0 CEABLO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1cccc(C)n1 ZINC000096041441 185070632 /nfs/dbraw/zinc/07/06/32/185070632.db2.gz UOJMEBKBNWDVND-ARFHVFGLSA-N 1 2 276.380 2.158 40 0 CEABLO c1csc(C[N@@H+]2CCN3C[C@H](OCC4CC4)C[C@@H]3C2)c1 ZINC000096054991 185076757 /nfs/dbraw/zinc/07/67/57/185076757.db2.gz NRAXYOAGABLPCC-HUUCEWRRSA-N 1 2 292.448 2.433 40 0 CEABLO c1csc(C[N@H+]2CCN3C[C@H](OCC4CC4)C[C@@H]3C2)c1 ZINC000096054991 185076758 /nfs/dbraw/zinc/07/67/58/185076758.db2.gz NRAXYOAGABLPCC-HUUCEWRRSA-N 1 2 292.448 2.433 40 0 CEABLO CCOC[C@@H]1C[N@H+](Cc2ccoc2)Cc2nn(C)cc21 ZINC000096060372 185081440 /nfs/dbraw/zinc/08/14/40/185081440.db2.gz OOQPCCPLAKGXSZ-ZDUSSCGKSA-N 1 2 275.352 2.149 40 0 CEABLO CCOC[C@@H]1C[N@@H+](Cc2ccoc2)Cc2nn(C)cc21 ZINC000096060372 185081441 /nfs/dbraw/zinc/08/14/41/185081441.db2.gz OOQPCCPLAKGXSZ-ZDUSSCGKSA-N 1 2 275.352 2.149 40 0 CEABLO C[NH+]1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1 ZINC000041306149 362028171 /nfs/dbraw/zinc/02/81/71/362028171.db2.gz AWIOTFKIRZMFRN-UHFFFAOYSA-N 1 2 278.739 2.474 40 0 CEABLO COCCc1nc(Nc2cccc(C)c2)cc(N)[nH+]1 ZINC000049467684 362364470 /nfs/dbraw/zinc/36/44/70/362364470.db2.gz BGMRERXRQSKZNM-UHFFFAOYSA-N 1 2 258.325 2.300 40 0 CEABLO COCCc1nc(N)cc(Nc2cccc(C)c2)[nH+]1 ZINC000049467684 362364475 /nfs/dbraw/zinc/36/44/75/362364475.db2.gz BGMRERXRQSKZNM-UHFFFAOYSA-N 1 2 258.325 2.300 40 0 CEABLO Cc1ccccc1OC[C@@]1(O)CCN(c2cc[nH+]c(C)n2)C1 ZINC000585275040 345009867 /nfs/dbraw/zinc/00/98/67/345009867.db2.gz UPYKYSXZIQPRCS-QGZVFWFLSA-N 1 2 299.374 2.114 40 0 CEABLO CO[C@]1(COc2ccccc2)CC[N@H+](Cc2cnc[nH]2)C1 ZINC000585275128 345009890 /nfs/dbraw/zinc/00/98/90/345009890.db2.gz XTKUIHKQHUARDO-MRXNPFEDSA-N 1 2 287.363 2.080 40 0 CEABLO CO[C@]1(COc2ccccc2)CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000585275128 345009892 /nfs/dbraw/zinc/00/98/92/345009892.db2.gz XTKUIHKQHUARDO-MRXNPFEDSA-N 1 2 287.363 2.080 40 0 CEABLO Cn1cc(C[N@@H+]2CCn3c(-c4ccsc4)cnc3C2)cn1 ZINC000306126165 201840328 /nfs/dbraw/zinc/84/03/28/201840328.db2.gz DOPRPYSEYAYVFS-UHFFFAOYSA-N 1 2 299.403 2.361 40 0 CEABLO Cn1cc(C[N@H+]2CCn3c(-c4ccsc4)cnc3C2)cn1 ZINC000306126165 201840335 /nfs/dbraw/zinc/84/03/35/201840335.db2.gz DOPRPYSEYAYVFS-UHFFFAOYSA-N 1 2 299.403 2.361 40 0 CEABLO CNc1nc(NCc2ccccc2)cc(-c2ccncc2)[nH+]1 ZINC000329049554 202166838 /nfs/dbraw/zinc/16/68/38/202166838.db2.gz UPZBVYCROVOCBU-UHFFFAOYSA-N 1 2 291.358 2.036 40 0 CEABLO COC(=O)[C@@]1([NH3+])CC12c1ccccc1-c1ccccc12 ZINC000256051746 540364375 /nfs/dbraw/zinc/36/43/75/540364375.db2.gz KKIDAERESLQLQR-KRWDZBQOSA-N 1 2 265.312 2.227 40 0 CEABLO Clc1ccc(-c2nnn(C[NH+]3CCCCC3)n2)cc1 ZINC000000093394 361127652 /nfs/dbraw/zinc/12/76/52/361127652.db2.gz YMWSNHDCQVRMBK-UHFFFAOYSA-N 1 2 277.759 2.437 40 0 CEABLO C[C@@H](Oc1cccc2ccccc21)C(=O)N1CC[NH+](C)CC1 ZINC000013709284 361438142 /nfs/dbraw/zinc/43/81/42/361438142.db2.gz UBWWJIBWBRUOKW-CQSZACIVSA-N 1 2 298.386 2.381 40 0 CEABLO c1cnc2[nH]c([C@@H]3CCCO3)c(C[NH+]3CCOCC3)c2c1 ZINC000019345177 361528273 /nfs/dbraw/zinc/52/82/73/361528273.db2.gz BFPFISPZPSDTNB-AWEZNQCLSA-N 1 2 287.363 2.247 40 0 CEABLO Cc1nn(C)cc1-c1c[nH+]cn1CCCC(C)(C)CO ZINC000019719526 361548716 /nfs/dbraw/zinc/54/87/16/361548716.db2.gz WEIFUZSHXUKWJI-UHFFFAOYSA-N 1 2 276.384 2.391 40 0 CEABLO Cc1ccccc1O[C@@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000020047461 361576027 /nfs/dbraw/zinc/57/60/27/361576027.db2.gz DYWWFOLXWJQDQJ-AWEZNQCLSA-N 1 2 287.363 2.165 40 0 CEABLO COC[C@@H]1CCn2nccc2C[N@@H+]1Cc1cccc(C)n1 ZINC000585097857 367178145 /nfs/dbraw/zinc/17/81/45/367178145.db2.gz RYBQCOQVBCLNGA-INIZCTEOSA-N 1 2 286.379 2.007 40 0 CEABLO COC[C@@H]1CCn2nccc2C[N@H+]1Cc1cccc(C)n1 ZINC000585097857 367178152 /nfs/dbraw/zinc/17/81/52/367178152.db2.gz RYBQCOQVBCLNGA-INIZCTEOSA-N 1 2 286.379 2.007 40 0 CEABLO CCn1cc(C[NH2+]Cc2ccn(C(F)F)n2)c(C)n1 ZINC000256050953 190003794 /nfs/dbraw/zinc/00/37/94/190003794.db2.gz HEAMPFFREUCFBM-UHFFFAOYSA-N 1 2 269.299 2.093 40 0 CEABLO O=C(CCn1cc[nH+]c1)N1CCC[C@H]1CCc1ccncc1 ZINC000257237753 190017449 /nfs/dbraw/zinc/01/74/49/190017449.db2.gz HHZRZNMWAZVUOS-INIZCTEOSA-N 1 2 298.390 2.292 40 0 CEABLO CCc1cc(C(=O)N2CCC[C@H]2c2[nH]cc(C)[nH+]2)on1 ZINC000257264604 190023232 /nfs/dbraw/zinc/02/32/32/190023232.db2.gz LVFONLMDFXIMNO-NSHDSACASA-N 1 2 274.324 2.246 40 0 CEABLO Cc1cn(C)c([C@H]2CC[N@H+](Cc3cccc(C(=O)[O-])c3)C2)[nH+]1 ZINC000257287390 190027159 /nfs/dbraw/zinc/02/71/59/190027159.db2.gz PPTLTTCADFJMHL-HNNXBMFYSA-N 1 2 299.374 2.416 40 0 CEABLO Cc1cn(C)c([C@H]2CC[N@@H+](Cc3cccc(C(=O)[O-])c3)C2)[nH+]1 ZINC000257287390 190027160 /nfs/dbraw/zinc/02/71/60/190027160.db2.gz PPTLTTCADFJMHL-HNNXBMFYSA-N 1 2 299.374 2.416 40 0 CEABLO CCn1nc(C)c(C[N@@H+]2CC[C@H](c3ccn[nH]3)C2)c1C ZINC000257304680 190030690 /nfs/dbraw/zinc/03/06/90/190030690.db2.gz SMRZFIRWGUQAHL-ZDUSSCGKSA-N 1 2 273.384 2.232 40 0 CEABLO CCn1nc(C)c(C[N@H+]2CC[C@H](c3ccn[nH]3)C2)c1C ZINC000257304680 190030691 /nfs/dbraw/zinc/03/06/91/190030691.db2.gz SMRZFIRWGUQAHL-ZDUSSCGKSA-N 1 2 273.384 2.232 40 0 CEABLO CC(C)n1nccc1C[N@@H+]1CC[C@H](c2ccn[nH]2)C1 ZINC000257309926 190032132 /nfs/dbraw/zinc/03/21/32/190032132.db2.gz UCXWGLNYYFUCHC-LBPRGKRZSA-N 1 2 259.357 2.177 40 0 CEABLO CC(C)n1nccc1C[N@H+]1CC[C@H](c2ccn[nH]2)C1 ZINC000257309926 190032133 /nfs/dbraw/zinc/03/21/33/190032133.db2.gz UCXWGLNYYFUCHC-LBPRGKRZSA-N 1 2 259.357 2.177 40 0 CEABLO CNc1cc([C@H]2CCCN2C(=O)CCn2cc[nH+]c2)ccn1 ZINC000257331595 190035318 /nfs/dbraw/zinc/03/53/18/190035318.db2.gz XTNLMYSFKVRYHM-CQSZACIVSA-N 1 2 299.378 2.074 40 0 CEABLO COCC[N@@H+]1CCOc2nc3c(C)cccc3cc2C1 ZINC000072397469 285053508 /nfs/dbraw/zinc/05/35/08/285053508.db2.gz GSZUTQQJPXSUMK-UHFFFAOYSA-N 1 2 272.348 2.384 40 0 CEABLO COCC[N@H+]1CCOc2nc3c(C)cccc3cc2C1 ZINC000072397469 285053510 /nfs/dbraw/zinc/05/35/10/285053510.db2.gz GSZUTQQJPXSUMK-UHFFFAOYSA-N 1 2 272.348 2.384 40 0 CEABLO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccoc1 ZINC000096057788 286216709 /nfs/dbraw/zinc/21/67/09/286216709.db2.gz UZJVKTOZRMWWTQ-BFHYXJOUSA-N 1 2 251.326 2.048 40 0 CEABLO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccoc1 ZINC000096057788 286216710 /nfs/dbraw/zinc/21/67/10/286216710.db2.gz UZJVKTOZRMWWTQ-BFHYXJOUSA-N 1 2 251.326 2.048 40 0 CEABLO O=C(Nc1cccnc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020458701 171208828 /nfs/dbraw/zinc/20/88/28/171208828.db2.gz UAEWLJGPYCMETD-UHFFFAOYSA-N 1 2 297.358 2.166 40 0 CEABLO COc1ccc(C(C)(C)C)cc1C(=O)N1CC[NH+](C)CC1 ZINC000072206487 176342467 /nfs/dbraw/zinc/34/24/67/176342467.db2.gz MUHMORNWMZCMEE-UHFFFAOYSA-N 1 2 290.407 2.380 40 0 CEABLO CCOC[C@@H]1CN(Cc2ccoc2)Cc2[nH+]cn(C)c21 ZINC000096060204 185081288 /nfs/dbraw/zinc/08/12/88/185081288.db2.gz DVENLMXJLHJNGP-ZDUSSCGKSA-N 1 2 275.352 2.149 40 0 CEABLO COC[C@H]1C[N@H+](Cc2ccc(C)o2)Cc2ncn(C)c21 ZINC000096060187 185081828 /nfs/dbraw/zinc/08/18/28/185081828.db2.gz JKNFVRXWCYENMV-GFCCVEGCSA-N 1 2 275.352 2.067 40 0 CEABLO COC[C@H]1C[N@@H+](Cc2ccc(C)o2)Cc2ncn(C)c21 ZINC000096060187 185081831 /nfs/dbraw/zinc/08/18/31/185081831.db2.gz JKNFVRXWCYENMV-GFCCVEGCSA-N 1 2 275.352 2.067 40 0 CEABLO COC[C@H]1CN(Cc2ccc(C)o2)Cc2[nH+]cn(C)c21 ZINC000096060187 185081832 /nfs/dbraw/zinc/08/18/32/185081832.db2.gz JKNFVRXWCYENMV-GFCCVEGCSA-N 1 2 275.352 2.067 40 0 CEABLO Cc1cc(N2CCC[C@@H](c3cncc(N(C)C)n3)C2)nc[nH+]1 ZINC000072364136 363131262 /nfs/dbraw/zinc/13/12/62/363131262.db2.gz CZBVNJDANQQHFB-CYBMUJFWSA-N 1 2 298.394 2.025 40 0 CEABLO CNc1cncc(C2CCN(c3cc(C)[nH+]cn3)CC2)n1 ZINC000072364077 363131709 /nfs/dbraw/zinc/13/17/09/363131709.db2.gz QQNBXIPXEDIUEX-UHFFFAOYSA-N 1 2 284.367 2.001 40 0 CEABLO CC(C)(C)OC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000075244189 363453214 /nfs/dbraw/zinc/45/32/14/363453214.db2.gz YOAXZXWTZMDCOQ-UHFFFAOYSA-N 1 2 263.341 2.139 40 0 CEABLO C[NH+](C)CNc1ncnc2onc(-c3ccccc3)c21 ZINC000001558993 361208129 /nfs/dbraw/zinc/20/81/29/361208129.db2.gz OTRPZBIZZZZQAR-UHFFFAOYSA-N 1 2 269.308 2.216 40 0 CEABLO Cc1ccc(NCN2C(=O)c3ccccc3C2=O)c(C)[nH+]1 ZINC000013213308 361423237 /nfs/dbraw/zinc/42/32/37/361423237.db2.gz AUMOHICMAPRDKU-UHFFFAOYSA-N 1 2 281.315 2.364 40 0 CEABLO Fc1ccccc1C1=NO[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]12 ZINC000019347997 361527850 /nfs/dbraw/zinc/52/78/50/361527850.db2.gz YSIBZSRIWQELLF-GOEBONIOSA-N 1 2 297.333 2.456 40 0 CEABLO Fc1ccccc1C1=NO[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]12 ZINC000019347997 361527857 /nfs/dbraw/zinc/52/78/57/361527857.db2.gz YSIBZSRIWQELLF-GOEBONIOSA-N 1 2 297.333 2.456 40 0 CEABLO CCC[C@H](C(=O)OC)[NH+]1CCN(c2ccccc2)CC1 ZINC000022538712 361588563 /nfs/dbraw/zinc/58/85/63/361588563.db2.gz KIQSDJCPVSXBOQ-OAHLLOKOSA-N 1 2 276.380 2.150 40 0 CEABLO CCC(=O)N1Cc2c[nH+]cn2C[C@@H](COCC2CCC2)C1 ZINC000096206560 364410511 /nfs/dbraw/zinc/41/05/11/364410511.db2.gz URSIYTZVNCQZCG-AWEZNQCLSA-N 1 2 291.395 2.068 40 0 CEABLO CC(=O)N1CCN(c2cc[nH+]c(C)n2)C[C@H]1c1ccccc1 ZINC000257290029 371611029 /nfs/dbraw/zinc/61/10/29/371611029.db2.gz QBFYPSPJBVIMFL-INIZCTEOSA-N 1 2 296.374 2.195 40 0 CEABLO CC(=O)N1CCN(c2cc[nH+]c(C)n2)[C@@H](c2ccccc2)C1 ZINC000257337834 371612725 /nfs/dbraw/zinc/61/27/25/371612725.db2.gz YUPHALPQDYZRQC-MRXNPFEDSA-N 1 2 296.374 2.195 40 0 CEABLO CCCn1ccc(C[NH2+]Cc2cnn(CC(C)C)c2)n1 ZINC000256050755 190003329 /nfs/dbraw/zinc/00/33/29/190003329.db2.gz GJBUVIKFMQOFJE-UHFFFAOYSA-N 1 2 275.400 2.435 40 0 CEABLO CCCn1cc(C[NH2+]Cc2ccn(CC(F)F)n2)cn1 ZINC000256051862 190003581 /nfs/dbraw/zinc/00/35/81/190003581.db2.gz KUDLPCVAGRUPGB-UHFFFAOYSA-N 1 2 283.326 2.045 40 0 CEABLO CCCn1cc(C[N@@H+]2CCO[C@H](c3ccccn3)C2)cn1 ZINC000257203116 190011382 /nfs/dbraw/zinc/01/13/82/190011382.db2.gz AOTADLMUSHFNHJ-INIZCTEOSA-N 1 2 286.379 2.262 40 0 CEABLO CCCn1cc(C[N@H+]2CCO[C@H](c3ccccn3)C2)cn1 ZINC000257203116 190011383 /nfs/dbraw/zinc/01/13/83/190011383.db2.gz AOTADLMUSHFNHJ-INIZCTEOSA-N 1 2 286.379 2.262 40 0 CEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)Cc3ccsc3)C2)[nH+]1 ZINC000257259140 190021272 /nfs/dbraw/zinc/02/12/72/190021272.db2.gz KXBDAUBTFPYOOA-GFCCVEGCSA-N 1 2 275.377 2.338 40 0 CEABLO CCC(=O)N1CC[C@H](Cc2cccc(-c3c[nH+]cn3C)n2)C1 ZINC000257302371 190030141 /nfs/dbraw/zinc/03/01/41/190030141.db2.gz SCQFQCFTAAMPDG-CYBMUJFWSA-N 1 2 298.390 2.283 40 0 CEABLO Cc1cc(=O)[nH]c([C@]2(C)CCC[N@@H+]2Cc2cccnc2)n1 ZINC000257319311 190033649 /nfs/dbraw/zinc/03/36/49/190033649.db2.gz VRUZEGRUDGTFKF-INIZCTEOSA-N 1 2 284.363 2.397 40 0 CEABLO Cc1cc(=O)[nH]c([C@]2(C)CCC[N@H+]2Cc2cccnc2)n1 ZINC000257319311 190033650 /nfs/dbraw/zinc/03/36/50/190033650.db2.gz VRUZEGRUDGTFKF-INIZCTEOSA-N 1 2 284.363 2.397 40 0 CEABLO O=S1(=O)c2ccccc2[C@H]2C[N@@H+](Cc3ccoc3)C[C@@H]21 ZINC000306129243 376541472 /nfs/dbraw/zinc/54/14/72/376541472.db2.gz HYGMOBPFLGXLAT-HIFRSBDPSA-N 1 2 289.356 2.035 40 0 CEABLO O=S1(=O)c2ccccc2[C@H]2C[N@H+](Cc3ccoc3)C[C@@H]21 ZINC000306129243 376541477 /nfs/dbraw/zinc/54/14/77/376541477.db2.gz HYGMOBPFLGXLAT-HIFRSBDPSA-N 1 2 289.356 2.035 40 0 CEABLO COc1cccc([C@@H]([NH3+])c2nnc(-c3cccc(O)c3)[nH]2)c1 ZINC000095533531 256744399 /nfs/dbraw/zinc/74/43/99/256744399.db2.gz FGVBJAIRVQXSRZ-CQSZACIVSA-N 1 2 296.330 2.234 40 0 CEABLO O=C(CCc1ccc(F)cc1)NCCCn1cc[nH+]c1 ZINC000060878245 394567205 /nfs/dbraw/zinc/56/72/05/394567205.db2.gz VSPNNHSDFHKPPI-UHFFFAOYSA-N 1 2 275.327 2.161 40 0 CEABLO CC(C)(C)c1coc([C@@H]2COCCN2Cc2[nH]cc[nH+]2)n1 ZINC000072322173 176369107 /nfs/dbraw/zinc/36/91/07/176369107.db2.gz KXUFCCDZDWKPBM-NSHDSACASA-N 1 2 290.367 2.269 40 0 biogenic,in-vitro CEABLO C[N@@H+]1CCC[C@H]1c1csc(Nc2ncccn2)n1 ZINC000072384590 176388980 /nfs/dbraw/zinc/38/89/80/176388980.db2.gz MSXVZYZALHYLRV-JTQLQIEISA-N 1 2 261.354 2.443 40 0 CEABLO C[N@H+]1CCC[C@H]1c1csc(Nc2ncccn2)n1 ZINC000072384590 176388981 /nfs/dbraw/zinc/38/89/81/176388981.db2.gz MSXVZYZALHYLRV-JTQLQIEISA-N 1 2 261.354 2.443 40 0 CEABLO CC(C)(C)OC(=O)N1C=C(Br)S[C@@H]1[NH3+] ZINC000071617435 277178903 /nfs/dbraw/zinc/17/89/03/277178903.db2.gz IYRVRJUHXNFWMF-ZCFIWIBFSA-N 1 2 281.175 2.406 40 0 CEABLO COc1ccc([C@@H]([NH3+])c2nnc(-c3cccc(O)c3)[nH]2)cc1 ZINC000095533673 185005816 /nfs/dbraw/zinc/00/58/16/185005816.db2.gz XMUREXYIHVKJBO-CQSZACIVSA-N 1 2 296.330 2.234 40 0 CEABLO c1cc(C[N@H+]2CCO[C@H]3[C@@H](OCC4CC4)CC[C@@H]32)ccn1 ZINC000096042067 185070490 /nfs/dbraw/zinc/07/04/90/185070490.db2.gz CTNLOFACHWGGJJ-YESZJQIVSA-N 1 2 288.391 2.240 40 0 CEABLO c1cc(C[N@@H+]2CCO[C@H]3[C@@H](OCC4CC4)CC[C@@H]32)ccn1 ZINC000096042067 185070491 /nfs/dbraw/zinc/07/04/91/185070491.db2.gz CTNLOFACHWGGJJ-YESZJQIVSA-N 1 2 288.391 2.240 40 0 CEABLO COC[C@@H]1C[N@H+](Cc2ccc(F)cc2)Cc2ncn(C)c21 ZINC000096060190 185081401 /nfs/dbraw/zinc/08/14/01/185081401.db2.gz SRMRQLQKVDIYIU-ZDUSSCGKSA-N 1 2 289.354 2.305 40 0 CEABLO COC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)Cc2ncn(C)c21 ZINC000096060190 185081402 /nfs/dbraw/zinc/08/14/02/185081402.db2.gz SRMRQLQKVDIYIU-ZDUSSCGKSA-N 1 2 289.354 2.305 40 0 CEABLO COC[C@@H]1CN(Cc2ccc(F)cc2)Cc2[nH+]cn(C)c21 ZINC000096060190 185081403 /nfs/dbraw/zinc/08/14/03/185081403.db2.gz SRMRQLQKVDIYIU-ZDUSSCGKSA-N 1 2 289.354 2.305 40 0 CEABLO CC[NH+]1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000046465712 362182923 /nfs/dbraw/zinc/18/29/23/362182923.db2.gz FWCGPQSLEPJKGD-UHFFFAOYSA-N 1 2 258.321 2.211 40 0 CEABLO CC(C)[N@@H+]1CCc2oc(C(=O)N3CCC[C@H](C)C3)nc2C1 ZINC000585111611 345005516 /nfs/dbraw/zinc/00/55/16/345005516.db2.gz DKPZPFKISDDWOW-LBPRGKRZSA-N 1 2 291.395 2.313 40 0 CEABLO CC(C)[N@H+]1CCc2oc(C(=O)N3CCC[C@H](C)C3)nc2C1 ZINC000585111611 345005520 /nfs/dbraw/zinc/00/55/20/345005520.db2.gz DKPZPFKISDDWOW-LBPRGKRZSA-N 1 2 291.395 2.313 40 0 CEABLO CCC[N@@H+]1CCc2oc(C(=O)N3CCC[C@@H](C)C3)nc2C1 ZINC000585111994 345006149 /nfs/dbraw/zinc/00/61/49/345006149.db2.gz JYQUQFMSVLAZEF-GFCCVEGCSA-N 1 2 291.395 2.315 40 0 CEABLO CCC[N@H+]1CCc2oc(C(=O)N3CCC[C@@H](C)C3)nc2C1 ZINC000585111994 345006151 /nfs/dbraw/zinc/00/61/51/345006151.db2.gz JYQUQFMSVLAZEF-GFCCVEGCSA-N 1 2 291.395 2.315 40 0 CEABLO C[N@H+](Cc1cccc(Cl)c1)[C@@]1(C)CCS(=O)(=O)C1 ZINC000575419926 539651200 /nfs/dbraw/zinc/65/12/00/539651200.db2.gz AUIYLAHTZQKJDA-ZDUSSCGKSA-N 1 2 287.812 2.349 40 0 CEABLO C[N@@H+](Cc1cccc(Cl)c1)[C@@]1(C)CCS(=O)(=O)C1 ZINC000575419926 539651201 /nfs/dbraw/zinc/65/12/01/539651201.db2.gz AUIYLAHTZQKJDA-ZDUSSCGKSA-N 1 2 287.812 2.349 40 0 CEABLO C[N@@H+]1CCO[C@@H](COc2ccc(Br)cc2)C1 ZINC000092056770 180314640 /nfs/dbraw/zinc/31/46/40/180314640.db2.gz SXRKKAXEMJEADE-GFCCVEGCSA-N 1 2 286.169 2.159 40 0 CEABLO C[N@H+]1CCO[C@@H](COc2ccc(Br)cc2)C1 ZINC000092056770 180314641 /nfs/dbraw/zinc/31/46/41/180314641.db2.gz SXRKKAXEMJEADE-GFCCVEGCSA-N 1 2 286.169 2.159 40 0 CEABLO Cc1cc(N(C)C)nc(C2CCN(c3cnccn3)CC2)[nH+]1 ZINC000072356726 363130999 /nfs/dbraw/zinc/13/09/99/363130999.db2.gz ZFZSUPNSZYVBFL-UHFFFAOYSA-N 1 2 298.394 2.025 40 0 CEABLO Cc1noc(C2(C)CCN(c3cc(C)[nH+]cn3)CC2)n1 ZINC000072385577 363132914 /nfs/dbraw/zinc/13/29/14/363132914.db2.gz MWTMNXQUPFJHFZ-UHFFFAOYSA-N 1 2 273.340 2.035 40 0 CEABLO Cc1c2cc(F)ccc2[nH]c1C(=O)NCc1[nH+]ccn1C ZINC000019565418 361543485 /nfs/dbraw/zinc/54/34/85/361543485.db2.gz YVZJIWYELLEMAJ-UHFFFAOYSA-N 1 2 286.310 2.279 40 0 CEABLO C[C@H](COC(=O)c1ccccc1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000031939037 361722438 /nfs/dbraw/zinc/72/24/38/361722438.db2.gz RSLYEGOJUKWGJL-YUELXQCFSA-N 1 2 275.348 2.095 40 0 CEABLO C[C@H](COC(=O)c1ccccc1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000031939037 361722439 /nfs/dbraw/zinc/72/24/39/361722439.db2.gz RSLYEGOJUKWGJL-YUELXQCFSA-N 1 2 275.348 2.095 40 0 CEABLO CCO[C@@H]1CSC2(C[NH+](Cc3cccnc3OC)C2)C1 ZINC000247891318 371145222 /nfs/dbraw/zinc/14/52/22/371145222.db2.gz TVRNFVGXYHWIIA-ZDUSSCGKSA-N 1 2 294.420 2.187 40 0 CEABLO CCOC[C@H]1CN(Cc2ccco2)Cc2c[nH+]cn21 ZINC000253385555 371513005 /nfs/dbraw/zinc/51/30/05/371513005.db2.gz SZWFGCCLDGZHCL-CYBMUJFWSA-N 1 2 261.325 2.070 40 0 CEABLO CCCn1nccc1C[NH2+]Cc1ccn(C(C)C)n1 ZINC000256053269 190005146 /nfs/dbraw/zinc/00/51/46/190005146.db2.gz QTVJDNONVTYEAG-UHFFFAOYSA-N 1 2 261.373 2.360 40 0 CEABLO CCCn1ccc(C[NH2+]Cc2c(C)nn(CC)c2F)n1 ZINC000256050742 190003353 /nfs/dbraw/zinc/00/33/53/190003353.db2.gz GIGKFQBJBQPDKV-UHFFFAOYSA-N 1 2 279.363 2.247 40 0 CEABLO CCn1cc(C[N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)cn1 ZINC000257265047 190023001 /nfs/dbraw/zinc/02/30/01/190023001.db2.gz LXBCCSCABXWYFS-QGZVFWFLSA-N 1 2 284.407 2.392 40 0 CEABLO CCn1cc(C[N@H+]2CCN(C)[C@@H](c3ccccc3)C2)cn1 ZINC000257265047 190023002 /nfs/dbraw/zinc/02/30/02/190023002.db2.gz LXBCCSCABXWYFS-QGZVFWFLSA-N 1 2 284.407 2.392 40 0 CEABLO Cc1c[nH]c([C@H]2CCN(C(=O)Cc3ccsc3)C2)[nH+]1 ZINC000257259141 190021400 /nfs/dbraw/zinc/02/14/00/190021400.db2.gz KXBDAUBTFPYOOA-LBPRGKRZSA-N 1 2 275.377 2.338 40 0 CEABLO Cc1[nH]ncc1C[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000257284971 190026726 /nfs/dbraw/zinc/02/67/26/190026726.db2.gz PFCJBCRZUOXKTH-ZDUSSCGKSA-N 1 2 271.368 2.196 40 0 CEABLO Cc1[nH]ncc1C[N@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000257284971 190026727 /nfs/dbraw/zinc/02/67/27/190026727.db2.gz PFCJBCRZUOXKTH-ZDUSSCGKSA-N 1 2 271.368 2.196 40 0 CEABLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000257284970 190027359 /nfs/dbraw/zinc/02/73/59/190027359.db2.gz PFCJBCRZUOXKTH-CYBMUJFWSA-N 1 2 271.368 2.196 40 0 CEABLO Cc1[nH]ncc1C[N@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000257284970 190027360 /nfs/dbraw/zinc/02/73/60/190027360.db2.gz PFCJBCRZUOXKTH-CYBMUJFWSA-N 1 2 271.368 2.196 40 0 CEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3cc(C(C)C)no3)C2)[nH+]1 ZINC000257296209 190028869 /nfs/dbraw/zinc/02/88/69/190028869.db2.gz RBSVWQUPFMXTPH-LLVKDONJSA-N 1 2 288.351 2.459 40 0 CEABLO CNc1cc([C@@H]2CCCN(S(=O)(=O)C(C)C)C2)cc[nH+]1 ZINC000257321183 190033432 /nfs/dbraw/zinc/03/34/32/190033432.db2.gz WAMMAWRRDXWTHR-CYBMUJFWSA-N 1 2 297.424 2.041 40 0 CEABLO CCOC[C@H]1CN(C(=O)C2=CCCCC2)Cc2c[nH+]cn21 ZINC000306132035 376540182 /nfs/dbraw/zinc/54/01/82/376540182.db2.gz KWAGQVDERRNTMP-OAHLLOKOSA-N 1 2 289.379 2.303 40 0 CEABLO CNc1nc(Nc2cccc(O)c2)cc(-c2ccccc2)[nH+]1 ZINC000328961552 376927724 /nfs/dbraw/zinc/92/77/24/376927724.db2.gz BDUOPSAMTLDYDM-UHFFFAOYSA-N 1 2 292.342 2.478 40 0 CEABLO OCCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000072225778 256703624 /nfs/dbraw/zinc/70/36/24/256703624.db2.gz RYERQESUHRGYHG-UHFFFAOYSA-N 1 2 254.333 2.179 40 0 CEABLO CCOC[C@H]1Cn2c[nH+]cc2CN(C(=O)c2ccccc2)C1 ZINC000096207346 256824231 /nfs/dbraw/zinc/82/42/31/256824231.db2.gz ONUGKVRQXFLFTE-CQSZACIVSA-N 1 2 299.374 2.192 40 0 CEABLO CC(C)c1[nH+]cc(I)n1C ZINC000216093093 394450618 /nfs/dbraw/zinc/45/06/18/394450618.db2.gz UXGNSOYLFPRISG-UHFFFAOYSA-N 1 2 250.083 2.148 40 0 CEABLO COC(=O)[C@]1([NH3+])C[C@H]1c1c(OC)ccc2ccccc21 ZINC000096525915 394697321 /nfs/dbraw/zinc/69/73/21/394697321.db2.gz FQEDMJTWTARDIP-LRDDRELGSA-N 1 2 271.316 2.206 40 0 CEABLO Cc1cc(C)n(C2CC[NH+](Cc3nccn3C)CC2)n1 ZINC000072345708 176373038 /nfs/dbraw/zinc/37/30/38/176373038.db2.gz RXMXDKNKRYWVHP-UHFFFAOYSA-N 1 2 273.384 2.071 40 0 CEABLO c1cn(-c2cccc([C@H]3CCCN3c3ncccn3)n2)c[nH+]1 ZINC000072378791 176385721 /nfs/dbraw/zinc/38/57/21/176385721.db2.gz BMVJEZQBZHNFHL-CQSZACIVSA-N 1 2 292.346 2.399 40 0 CEABLO COc1ccccc1C[N@@H+]1CC[C@@H](c2ccn[nH]2)C1 ZINC000072385092 176389603 /nfs/dbraw/zinc/38/96/03/176389603.db2.gz IIXIIHNJDARDBR-GFCCVEGCSA-N 1 2 257.337 2.408 40 0 CEABLO COc1ccccc1C[N@H+]1CC[C@@H](c2ccn[nH]2)C1 ZINC000072385092 176389604 /nfs/dbraw/zinc/38/96/04/176389604.db2.gz IIXIIHNJDARDBR-GFCCVEGCSA-N 1 2 257.337 2.408 40 0 CEABLO C[C@@H]([NH3+])c1nnc(COc2ccc(Cl)cc2)[nH]1 ZINC000095534639 278319056 /nfs/dbraw/zinc/31/90/56/278319056.db2.gz PUSOAAAZUUKZAF-SSDOTTSWSA-N 1 2 252.705 2.057 40 0 CEABLO [NH3+][C@@H](c1nnc(-c2ccncc2)[nH]1)c1ccc(F)cc1 ZINC000095533237 185006710 /nfs/dbraw/zinc/00/67/10/185006710.db2.gz HFINSPIUUKOLNC-GFCCVEGCSA-N 1 2 269.283 2.054 40 0 CEABLO [NH3+][C@@H](c1n[nH]c(-c2ccncc2)n1)c1ccc(F)cc1 ZINC000095533237 185006711 /nfs/dbraw/zinc/00/67/11/185006711.db2.gz HFINSPIUUKOLNC-GFCCVEGCSA-N 1 2 269.283 2.054 40 0 CEABLO CCOC[C@H]1C[N@H+](Cc2ccco2)Cc2c1cnn2C ZINC000096044595 185071264 /nfs/dbraw/zinc/07/12/64/185071264.db2.gz CULNAKXUYUSKKG-GFCCVEGCSA-N 1 2 275.352 2.149 40 0 CEABLO CCOC[C@H]1C[N@@H+](Cc2ccco2)Cc2c1cnn2C ZINC000096044595 185071266 /nfs/dbraw/zinc/07/12/66/185071266.db2.gz CULNAKXUYUSKKG-GFCCVEGCSA-N 1 2 275.352 2.149 40 0 CEABLO O=C(c1ccc[nH]1)N1CCN(CC2CC2)c2[nH+]cccc2C1 ZINC000096069199 185085302 /nfs/dbraw/zinc/08/53/02/185085302.db2.gz SWHMZTXWOPKJHH-UHFFFAOYSA-N 1 2 296.374 2.282 40 0 CEABLO c1sc(Nc2ncccn2)nc1[C@@H]1CCCC[NH2+]1 ZINC000205680961 539178369 /nfs/dbraw/zinc/17/83/69/539178369.db2.gz DTTOCYWQXJJASS-VIFPVBQESA-N 1 2 261.354 2.491 40 0 CEABLO CC(C)(C)c1nnc([C@H]2CC[N@H+](Cc3ncc[nH]3)C2)o1 ZINC000049170683 362344399 /nfs/dbraw/zinc/34/43/99/362344399.db2.gz VJTRMFOSVSCLBX-JTQLQIEISA-N 1 2 275.356 2.080 40 0 biogenic,in-vitro CEABLO CC(C)(C)c1nnc([C@H]2CC[N@@H+](Cc3ncc[nH]3)C2)o1 ZINC000049170683 362344405 /nfs/dbraw/zinc/34/44/05/362344405.db2.gz VJTRMFOSVSCLBX-JTQLQIEISA-N 1 2 275.356 2.080 40 0 biogenic,in-vitro CEABLO Cc1ccsc1C[N@@H+](Cc1nccn1C)C[C@@H](C)O ZINC000019238604 302302195 /nfs/dbraw/zinc/30/21/95/302302195.db2.gz OWRQREZSBKXBPT-GFCCVEGCSA-N 1 2 279.409 2.173 40 0 CEABLO Cc1ccsc1C[N@H+](Cc1nccn1C)C[C@@H](C)O ZINC000019238604 302302197 /nfs/dbraw/zinc/30/21/97/302302197.db2.gz OWRQREZSBKXBPT-GFCCVEGCSA-N 1 2 279.409 2.173 40 0 CEABLO Cc1cc(N(C)C)nc(C2CCN(c3ncccn3)CC2)[nH+]1 ZINC000072356727 363130844 /nfs/dbraw/zinc/13/08/44/363130844.db2.gz IJBHMSFVXAMVOD-UHFFFAOYSA-N 1 2 298.394 2.025 40 0 CEABLO Cc1c[nH]nc1C1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000072385490 363132830 /nfs/dbraw/zinc/13/28/30/363132830.db2.gz SMUALYTZLVDBKE-UHFFFAOYSA-N 1 2 257.341 2.201 40 0 CEABLO CNc1nc(Nc2ccc(F)c(F)c2F)cc(C2CC2)[nH+]1 ZINC000329040749 202163643 /nfs/dbraw/zinc/16/36/43/202163643.db2.gz SELUYKSSBPMPSV-UHFFFAOYSA-N 1 2 294.280 2.400 40 0 CEABLO CC[C@H](C)Nc1nc(NC)cc(-c2ccccc2)[nH+]1 ZINC000329033313 202161315 /nfs/dbraw/zinc/16/13/15/202161315.db2.gz QTMJMRKAXYAYBN-NSHDSACASA-N 1 2 256.353 2.240 40 0 CEABLO CCCNc1[nH+]cnc2c1cnn2[C@@H]1CCCCO1 ZINC000002045055 361225878 /nfs/dbraw/zinc/22/58/78/361225878.db2.gz SXUSQGQBCDJEML-NSHDSACASA-N 1 2 261.329 2.347 40 0 CEABLO Cc1cc2ccccc2n1CCC(=O)NCc1[nH]cc[nH+]1 ZINC000019126853 361520811 /nfs/dbraw/zinc/52/08/11/361520811.db2.gz WYJVGLFKNFRNMN-UHFFFAOYSA-N 1 2 282.347 2.379 40 0 CEABLO Nc1cc(N)[nH+]c(N2CCC(Cc3ccccc3)CC2)n1 ZINC000020153942 361581690 /nfs/dbraw/zinc/58/16/90/361581690.db2.gz LRIPMMLHVYFIIT-UHFFFAOYSA-N 1 2 283.379 2.100 40 0 CEABLO C[C@H]1c2[nH+]cc(Cn3cccn3)n2CCN1Cc1ccco1 ZINC000096201245 364410173 /nfs/dbraw/zinc/41/01/73/364410173.db2.gz LSGRRWATLMOCCS-ZDUSSCGKSA-N 1 2 297.362 2.298 40 0 CEABLO CC(C)(C)c1c[nH]c([C@@H]2COCCN2Cc2[nH]cc[nH+]2)n1 ZINC000225400575 370293315 /nfs/dbraw/zinc/29/33/15/370293315.db2.gz CQBGOARALBDHJZ-NSHDSACASA-N 1 2 289.383 2.004 40 0 biogenic,in-vitro CEABLO Cc1c[nH]nc1[C@H]1CCCC[N@@H+]1Cc1cnccn1 ZINC000257224532 371610735 /nfs/dbraw/zinc/61/07/35/371610735.db2.gz FCEYIJKJKWDVIU-CYBMUJFWSA-N 1 2 257.341 2.235 40 0 CEABLO Cc1c[nH]nc1[C@H]1CCCC[N@H+]1Cc1cnccn1 ZINC000257224532 371610738 /nfs/dbraw/zinc/61/07/38/371610738.db2.gz FCEYIJKJKWDVIU-CYBMUJFWSA-N 1 2 257.341 2.235 40 0 CEABLO CCCn1ccc(C[NH2+]Cc2cnn(CC(F)F)c2C)n1 ZINC000256054917 190005259 /nfs/dbraw/zinc/00/52/59/190005259.db2.gz YIOWJGBEJHKKKS-UHFFFAOYSA-N 1 2 297.353 2.353 40 0 CEABLO CC(C)n1nc(C2CC2)cc1C[NH2+]Cc1ccn(C)n1 ZINC000256051486 190003462 /nfs/dbraw/zinc/00/34/62/190003462.db2.gz JISPEXFPCKDCOH-UHFFFAOYSA-N 1 2 273.384 2.365 40 0 CEABLO CC(=O)N1CCC[C@@H](c2cccc3[nH+]c(C)cn32)C1 ZINC000257215557 190013088 /nfs/dbraw/zinc/01/30/88/190013088.db2.gz CQRHQZLHUKCJNB-CYBMUJFWSA-N 1 2 257.337 2.369 40 0 CEABLO Cc1cn(C)c([C@H]2CCCN(C(=O)Cc3cccnc3)C2)[nH+]1 ZINC000257267256 190023105 /nfs/dbraw/zinc/02/31/05/190023105.db2.gz MGORECZMEMILBD-HNNXBMFYSA-N 1 2 298.390 2.072 40 0 CEABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cncs2)[nH+]1 ZINC000257274716 190024401 /nfs/dbraw/zinc/02/44/01/190024401.db2.gz NMIWQVRNWCRLKQ-VIFPVBQESA-N 1 2 262.338 2.152 40 0 CEABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cscn3)C2)[nH+]1 ZINC000257320124 190033212 /nfs/dbraw/zinc/03/32/12/190033212.db2.gz VVLOMXXFGWZONY-SNVBAGLBSA-N 1 2 276.365 2.194 40 0 CEABLO CCOCC(=O)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257327189 190035126 /nfs/dbraw/zinc/03/51/26/190035126.db2.gz XAJAPBGOUMYNPQ-AWEZNQCLSA-N 1 2 285.347 2.003 40 0 CEABLO O=CN1CCCC[C@H]1c1ccc(N2CCCC2)[nH+]c1 ZINC000072215954 256711661 /nfs/dbraw/zinc/71/16/61/256711661.db2.gz RVXJYFBNEKFMGK-AWEZNQCLSA-N 1 2 259.353 2.365 40 0 CEABLO CNc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc[nH+]1 ZINC000329064300 394560470 /nfs/dbraw/zinc/56/04/70/394560470.db2.gz XIRVKURPNAXQCS-UHFFFAOYSA-N 1 2 298.390 2.308 40 0 CEABLO CNc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]cn1 ZINC000329064300 394560472 /nfs/dbraw/zinc/56/04/72/394560472.db2.gz XIRVKURPNAXQCS-UHFFFAOYSA-N 1 2 298.390 2.308 40 0 CEABLO COc1cccc([C@H]([NH3+])c2nnc(-c3cccc(O)c3)[nH]2)c1 ZINC000095533530 394673143 /nfs/dbraw/zinc/67/31/43/394673143.db2.gz FGVBJAIRVQXSRZ-AWEZNQCLSA-N 1 2 296.330 2.234 40 0 CEABLO CC(=O)CSc1nnc(C)n1-c1ccc([NH+](C)C)cc1 ZINC000004922010 170041017 /nfs/dbraw/zinc/04/10/17/170041017.db2.gz MTCKTNPIIXCDQZ-UHFFFAOYSA-N 1 2 290.392 2.323 40 0 CEABLO CCn1ccc(C[NH2+]Cc2cccc(F)c2F)n1 ZINC000020349112 171154598 /nfs/dbraw/zinc/15/45/98/171154598.db2.gz JJGHABWFORFHRS-UHFFFAOYSA-N 1 2 251.280 2.471 40 0 CEABLO CCOc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1C ZINC000022250792 171382394 /nfs/dbraw/zinc/38/23/94/171382394.db2.gz RFVBXOXUPLITDI-UHFFFAOYSA-N 1 2 287.363 2.410 40 0 CEABLO O=C(NCCCn1cc[nH+]c1)c1ccc(F)c(F)c1F ZINC000022250881 171382449 /nfs/dbraw/zinc/38/24/49/171382449.db2.gz NOIUXUDMIFTKJN-UHFFFAOYSA-N 1 2 283.253 2.121 40 0 CEABLO Cc1nnc(Nc2cc([C@@H]3CCC[N@H+]3C)nc(C)n2)s1 ZINC000072360121 176376842 /nfs/dbraw/zinc/37/68/42/176376842.db2.gz APJBNXKDIUQQEQ-NSHDSACASA-N 1 2 290.396 2.455 40 0 CEABLO Cc1nnc(Nc2cc([C@@H]3CCC[N@@H+]3C)nc(C)n2)s1 ZINC000072360121 176376844 /nfs/dbraw/zinc/37/68/44/176376844.db2.gz APJBNXKDIUQQEQ-NSHDSACASA-N 1 2 290.396 2.455 40 0 CEABLO COc1ccccc1C[N@@H+]1CC[C@H](c2ccn[nH]2)C1 ZINC000072385091 176389293 /nfs/dbraw/zinc/38/92/93/176389293.db2.gz IIXIIHNJDARDBR-LBPRGKRZSA-N 1 2 257.337 2.408 40 0 CEABLO COc1ccccc1C[N@H+]1CC[C@H](c2ccn[nH]2)C1 ZINC000072385091 176389295 /nfs/dbraw/zinc/38/92/95/176389295.db2.gz IIXIIHNJDARDBR-LBPRGKRZSA-N 1 2 257.337 2.408 40 0 CEABLO Cc1ccc(CC(=O)NCCCn2cc[nH+]c2)c(C)c1 ZINC000223892788 533750252 /nfs/dbraw/zinc/75/02/52/533750252.db2.gz AMNMGVBELBPRTQ-UHFFFAOYSA-N 1 2 271.364 2.249 40 0 CEABLO CC(C)OCc1nn(C)c2c1CC[N@H+](Cc1ccco1)C2 ZINC000096058969 185078758 /nfs/dbraw/zinc/07/87/58/185078758.db2.gz LCHDQTYXOQPEKT-UHFFFAOYSA-N 1 2 289.379 2.496 40 0 CEABLO CC(C)OCc1nn(C)c2c1CC[N@@H+](Cc1ccco1)C2 ZINC000096058969 185078759 /nfs/dbraw/zinc/07/87/59/185078759.db2.gz LCHDQTYXOQPEKT-UHFFFAOYSA-N 1 2 289.379 2.496 40 0 CEABLO CSc1ncc(C[NH2+]Cc2nc3ccccc3[nH]2)cn1 ZINC000062718342 343672759 /nfs/dbraw/zinc/67/27/59/343672759.db2.gz WYASRPZLYCOYTF-UHFFFAOYSA-N 1 2 285.376 2.365 40 0 CEABLO COc1cccc(NC(=O)NCCCn2cc[nH+]c2)c1 ZINC000048468640 362274747 /nfs/dbraw/zinc/27/47/47/362274747.db2.gz FGENIIVPZDYICZ-UHFFFAOYSA-N 1 2 274.324 2.104 40 0 CEABLO CNc1cccc(CC[C@@H]2CCCCN2C(C)=O)[nH+]1 ZINC000585177163 345009311 /nfs/dbraw/zinc/00/93/11/345009311.db2.gz RJXDKPYYPYDDIN-AWEZNQCLSA-N 1 2 261.369 2.457 40 0 CEABLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)C(F)(F)F ZINC000057316798 362577149 /nfs/dbraw/zinc/57/71/49/362577149.db2.gz YSBCQYRFAUWXTF-UHFFFAOYSA-N 1 2 288.269 2.020 40 0 CEABLO CC(C)C(=O)N1C[C@@H]2C[N@H+](Cc3cccc(F)c3)[C@H]2C1 ZINC000107816106 186192365 /nfs/dbraw/zinc/19/23/65/186192365.db2.gz YLFZEFXBYIFKLD-ZFWWWQNUSA-N 1 2 276.355 2.124 40 0 CEABLO CC(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(F)c3)[C@H]2C1 ZINC000107816106 186192366 /nfs/dbraw/zinc/19/23/66/186192366.db2.gz YLFZEFXBYIFKLD-ZFWWWQNUSA-N 1 2 276.355 2.124 40 0 CEABLO OC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000070453075 363083696 /nfs/dbraw/zinc/08/36/96/363083696.db2.gz NKFLLQFNXQVOCO-LBPRGKRZSA-N 1 2 275.270 2.071 40 0 CEABLO Cc1cc(N2CCC[C@H](c3cncc(N(C)C)n3)C2)nc[nH+]1 ZINC000072364135 363130941 /nfs/dbraw/zinc/13/09/41/363130941.db2.gz CZBVNJDANQQHFB-ZDUSSCGKSA-N 1 2 298.394 2.025 40 0 CEABLO CCNc1nc(Nc2ccccc2)cc(C2CC2)[nH+]1 ZINC000328956451 202129664 /nfs/dbraw/zinc/12/96/64/202129664.db2.gz AGFDAJPTUSLSHS-UHFFFAOYSA-N 1 2 254.337 2.373 40 0 CEABLO CCNc1cc(-c2ccncc2)[nH+]c(N[C@@H](C)CC)n1 ZINC000329017346 202155494 /nfs/dbraw/zinc/15/54/94/202155494.db2.gz NKWFIXIPJGMVAK-NSHDSACASA-N 1 2 271.368 2.025 40 0 CEABLO CC[C@H](C)c1ccccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000023633522 361602373 /nfs/dbraw/zinc/60/23/73/361602373.db2.gz FTVXGJKNVSAJBT-LSDHHAIUSA-N 1 2 293.407 2.272 40 0 CEABLO O=C(Nc1cccc(Cl)c1)OCC[NH+]1CCOCC1 ZINC000031924451 361722651 /nfs/dbraw/zinc/72/26/51/361722651.db2.gz MYUPLMKTTMWHND-UHFFFAOYSA-N 1 2 284.743 2.221 40 0 CEABLO CN(N)c1ccc2cc(I)ccc2[nH+]1 ZINC000199546793 370149117 /nfs/dbraw/zinc/14/91/17/370149117.db2.gz QWAQRCANOLTQIQ-UHFFFAOYSA-N 1 2 299.115 2.149 40 0 CEABLO Cc1c[nH]nc1C[C@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000257208300 371609699 /nfs/dbraw/zinc/60/96/99/371609699.db2.gz BLNMVEINAAUBGK-CYBMUJFWSA-N 1 2 271.368 2.276 40 0 CEABLO O=C(C[NH+]1Cc2ccccc2C1)Nc1cccc(O)c1 ZINC000409194500 375519964 /nfs/dbraw/zinc/51/99/64/375519964.db2.gz CMLGWOIBIJOPGH-UHFFFAOYSA-N 1 2 268.316 2.347 40 0 CEABLO FCCn1ccc(C[NH2+]Cc2cc(F)cc(F)c2)n1 ZINC000256049841 190003214 /nfs/dbraw/zinc/00/32/14/190003214.db2.gz BRPSSBHVCWXQMV-UHFFFAOYSA-N 1 2 269.270 2.421 40 0 CEABLO Oc1cccc(C[NH2+]Cc2ccn(CC(F)(F)F)n2)c1 ZINC000256052024 190003464 /nfs/dbraw/zinc/00/34/64/190003464.db2.gz LOTDWFVTXMAAFZ-UHFFFAOYSA-N 1 2 285.269 2.441 40 0 CEABLO CCn1ccc(C[NH2+]Cc2ccnn2CC(C)C)n1 ZINC000256051296 190003640 /nfs/dbraw/zinc/00/36/40/190003640.db2.gz IOXJDAFJHASFBA-UHFFFAOYSA-N 1 2 261.373 2.045 40 0 CEABLO c1c[nH+]c(CN2CC3(C2)CO[C@H](Cc2ccccc2)C3)[nH]1 ZINC000257202615 190010657 /nfs/dbraw/zinc/01/06/57/190010657.db2.gz AMPUAEAHYXKTCL-OAHLLOKOSA-N 1 2 283.375 2.243 40 0 CEABLO Cc1cncc(C[N@@H+]2CCO[C@H](c3ccnc(C)n3)C2)c1 ZINC000257312929 190031672 /nfs/dbraw/zinc/03/16/72/190031672.db2.gz UQGFOZQNBMVRPO-INIZCTEOSA-N 1 2 284.363 2.062 40 0 CEABLO Cc1cncc(C[N@H+]2CCO[C@H](c3ccnc(C)n3)C2)c1 ZINC000257312929 190031673 /nfs/dbraw/zinc/03/16/73/190031673.db2.gz UQGFOZQNBMVRPO-INIZCTEOSA-N 1 2 284.363 2.062 40 0 CEABLO Cc1cc(CC2CCN(C(=O)c3cnco3)CC2)cc[nH+]1 ZINC000257312796 190032138 /nfs/dbraw/zinc/03/21/38/190032138.db2.gz UPNARAYVOJKCDZ-UHFFFAOYSA-N 1 2 285.347 2.473 40 0 CEABLO C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000257323525 190033926 /nfs/dbraw/zinc/03/39/26/190033926.db2.gz WKPCSOBJVLENAP-OAHLLOKOSA-N 1 2 298.390 2.101 40 0 CEABLO CNc1cc(C)nc([C@]2(C)CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257341328 190037385 /nfs/dbraw/zinc/03/73/85/190037385.db2.gz ZJWZFSIWWPCYIE-HNNXBMFYSA-N 1 2 286.383 2.061 40 0 CEABLO c1nc2n(c1-c1ccncc1)CC[N@@H+](Cc1cccnc1)C2 ZINC000306133431 376540009 /nfs/dbraw/zinc/54/00/09/376540009.db2.gz MLFHBTUOSJXGFI-UHFFFAOYSA-N 1 2 291.358 2.356 40 0 CEABLO c1nc2n(c1-c1ccncc1)CC[N@H+](Cc1cccnc1)C2 ZINC000306133431 376540020 /nfs/dbraw/zinc/54/00/20/376540020.db2.gz MLFHBTUOSJXGFI-UHFFFAOYSA-N 1 2 291.358 2.356 40 0 CEABLO Cc1ccccc1CC(=O)N1CC[C@]2(CCn3cc[nH+]c32)C1 ZINC000306135073 376541128 /nfs/dbraw/zinc/54/11/28/376541128.db2.gz OHCXMSXXNPMNHB-GOSISDBHSA-N 1 2 295.386 2.308 40 0 CEABLO CC(C)(C)OC(=O)NCCCc1cccc(N)[nH+]1 ZINC000228938648 394477310 /nfs/dbraw/zinc/47/73/10/394477310.db2.gz URPLPKQUUSBDLF-UHFFFAOYSA-N 1 2 251.330 2.121 40 0 CEABLO COc1ccc(NCc2nnc([C@H]([NH3+])C(C)C)[nH]2)cc1 ZINC000095534735 394672963 /nfs/dbraw/zinc/67/29/63/394672963.db2.gz GPQMGHDYNNIQFZ-CYBMUJFWSA-N 1 2 275.356 2.081 40 0 CEABLO COc1ccc(NCc2nc([C@H]([NH3+])C(C)C)n[nH]2)cc1 ZINC000095534735 394672968 /nfs/dbraw/zinc/67/29/68/394672968.db2.gz GPQMGHDYNNIQFZ-CYBMUJFWSA-N 1 2 275.356 2.081 40 0 CEABLO Cc1ccc(C(=O)N2CC[C@]3(CCn4cc[nH+]c43)C2)s1 ZINC000306127136 292064791 /nfs/dbraw/zinc/06/47/91/292064791.db2.gz FPHAWIMIQVRLPG-OAHLLOKOSA-N 1 2 287.388 2.441 40 0 CEABLO Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000072373470 176384822 /nfs/dbraw/zinc/38/48/22/176384822.db2.gz YRDQPLWLJHAYMO-UHFFFAOYSA-N 1 2 273.311 2.188 40 0 CEABLO Cc1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000072373470 176384823 /nfs/dbraw/zinc/38/48/23/176384823.db2.gz YRDQPLWLJHAYMO-UHFFFAOYSA-N 1 2 273.311 2.188 40 0 CEABLO CCCCCNC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000059919576 262391055 /nfs/dbraw/zinc/39/10/55/262391055.db2.gz BFCTUUSVXNABKG-UHFFFAOYSA-N 1 2 290.407 2.439 40 0 CEABLO COC[C@H]1Cn2ccnc2C[N@H+](Cc2cccs2)C1 ZINC000096059064 277268169 /nfs/dbraw/zinc/26/81/69/277268169.db2.gz LHZUSQJCWBZUIO-GFCCVEGCSA-N 1 2 277.393 2.223 40 0 CEABLO COC[C@H]1Cn2ccnc2C[N@@H+](Cc2cccs2)C1 ZINC000096059064 277268170 /nfs/dbraw/zinc/26/81/70/277268170.db2.gz LHZUSQJCWBZUIO-GFCCVEGCSA-N 1 2 277.393 2.223 40 0 CEABLO Nc1ncc2c(n1)-c1ccccc1O[C@H]2[NH+]1CCCC1 ZINC000029208146 295371614 /nfs/dbraw/zinc/37/16/14/295371614.db2.gz LBOVMKZIZZCQRO-CQSZACIVSA-N 1 2 268.320 2.213 40 0 CEABLO CN(CCOc1ccc(C=O)cc1)c1cccc[nH+]1 ZINC000034508444 361791653 /nfs/dbraw/zinc/79/16/53/361791653.db2.gz FRMKJZNBTRONBV-UHFFFAOYSA-N 1 2 256.305 2.409 40 0 in-vitro CEABLO CC1(C)CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@]2(C)O1 ZINC000585285838 345009705 /nfs/dbraw/zinc/00/97/05/345009705.db2.gz NCPBDPYBSGRFMQ-XJKSGUPXSA-N 1 2 291.395 2.079 40 0 CEABLO Oc1c(Cl)cc(C[NH+]2CCOCC2)c2cccnc12 ZINC000019626748 361545598 /nfs/dbraw/zinc/54/55/98/361545598.db2.gz YKFTZWLZSNVQJQ-UHFFFAOYSA-N 1 2 278.739 2.426 40 0 CEABLO CC[NH+]1CCN(c2nccc(C)c2Br)CC1 ZINC000095097391 364340369 /nfs/dbraw/zinc/34/03/69/364340369.db2.gz WZAZMJDZFNUCOA-UHFFFAOYSA-N 1 2 284.201 2.294 40 0 CEABLO C[C@H]([NH3+])c1nnc(COc2ccc(Cl)cc2)[nH]1 ZINC000095534638 364392490 /nfs/dbraw/zinc/39/24/90/364392490.db2.gz PUSOAAAZUUKZAF-ZETCQYMHSA-N 1 2 252.705 2.057 40 0 CEABLO Cn1ccnc1C[N@@H+]1CCN(CC2CC2)c2ncccc2C1 ZINC000096198904 364408679 /nfs/dbraw/zinc/40/86/79/364408679.db2.gz MYXVXQXQXHVMNT-UHFFFAOYSA-N 1 2 297.406 2.047 40 0 CEABLO Cn1ccnc1C[N@H+]1CCN(CC2CC2)c2ncccc2C1 ZINC000096198904 364408681 /nfs/dbraw/zinc/40/86/81/364408681.db2.gz MYXVXQXQXHVMNT-UHFFFAOYSA-N 1 2 297.406 2.047 40 0 CEABLO O=C([O-])c1ccc2[nH]c(CCC[NH+]3CCCC3)[nH+]c2c1 ZINC000225295107 370289453 /nfs/dbraw/zinc/28/94/53/370289453.db2.gz HVHGLRBHIARSRY-UHFFFAOYSA-N 1 2 273.336 2.290 40 0 CEABLO c1cc2n(n1)C[C@@H](OCC1CC1)C[N@@H+](Cc1cccnc1)C2 ZINC000253601492 371531846 /nfs/dbraw/zinc/53/18/46/371531846.db2.gz BIQYGBDGZKPHIF-KRWDZBQOSA-N 1 2 298.390 2.089 40 0 CEABLO c1cc2n(n1)C[C@@H](OCC1CC1)C[N@H+](Cc1cccnc1)C2 ZINC000253601492 371531852 /nfs/dbraw/zinc/53/18/52/371531852.db2.gz BIQYGBDGZKPHIF-KRWDZBQOSA-N 1 2 298.390 2.089 40 0 CEABLO Cc1c[nH]c([C@@H]2CCCN2c2nc(C)cc(C)n2)[nH+]1 ZINC000257232988 291618804 /nfs/dbraw/zinc/61/88/04/291618804.db2.gz GNFKVGGMKYTBDA-LBPRGKRZSA-N 1 2 257.341 2.466 40 0 CEABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccncc3)C2)[nH+]1 ZINC000257205076 190011485 /nfs/dbraw/zinc/01/14/85/190011485.db2.gz AXNZVIOANHOSHU-ZDUSSCGKSA-N 1 2 270.336 2.133 40 0 CEABLO Cc1nc(C[NH+]2CC3(C2)CO[C@H](Cc2cccnc2)C3)co1 ZINC000257206397 190011888 /nfs/dbraw/zinc/01/18/88/190011888.db2.gz BDFGXUHVQVJCCX-MRXNPFEDSA-N 1 2 299.374 2.212 40 0 CEABLO Cc1c[nH]c([C@H]2CCCN2S(=O)(=O)C2CCCC2)[nH+]1 ZINC000257227430 190015671 /nfs/dbraw/zinc/01/56/71/190015671.db2.gz FPFZISIRMXUSRH-GFCCVEGCSA-N 1 2 283.397 2.127 40 0 CEABLO COc1ccccc1[C@H]1CN(C(=O)C2CCC2)CC[N@@H+]1C ZINC000257230868 190016225 /nfs/dbraw/zinc/01/62/25/190016225.db2.gz GEGFQFZMRFVDSN-OAHLLOKOSA-N 1 2 288.391 2.310 40 0 CEABLO COc1ccccc1[C@H]1CN(C(=O)C2CCC2)CC[N@H+]1C ZINC000257230868 190016226 /nfs/dbraw/zinc/01/62/26/190016226.db2.gz GEGFQFZMRFVDSN-OAHLLOKOSA-N 1 2 288.391 2.310 40 0 CEABLO Cc1[nH+]c2ccccn2c1CC(=O)NCC1CCC1 ZINC000257317764 190032613 /nfs/dbraw/zinc/03/26/13/190032613.db2.gz VLAWDDBJMWQQOD-UHFFFAOYSA-N 1 2 257.337 2.102 40 0 CEABLO CNc1nccnc1[C@H]1C[N@H+](Cc2ccsc2)CCO1 ZINC000257325208 190034324 /nfs/dbraw/zinc/03/43/24/190034324.db2.gz WRYOQLHSMFBCHQ-GFCCVEGCSA-N 1 2 290.392 2.153 40 0 CEABLO CNc1nccnc1[C@H]1C[N@@H+](Cc2ccsc2)CCO1 ZINC000257325208 190034325 /nfs/dbraw/zinc/03/43/25/190034325.db2.gz WRYOQLHSMFBCHQ-GFCCVEGCSA-N 1 2 290.392 2.153 40 0 CEABLO CC1(c2cc[nH]n2)CC[NH+](Cc2ccccn2)CC1 ZINC000257324070 190034482 /nfs/dbraw/zinc/03/44/82/190034482.db2.gz WMZYURRHHQPATD-UHFFFAOYSA-N 1 2 256.353 2.358 40 0 CEABLO O[C@@H](COc1ccc2ccccc2c1)Cn1cc[nH+]c1 ZINC000000176072 394448254 /nfs/dbraw/zinc/44/82/54/394448254.db2.gz QBQBSFYUSAXAQA-OAHLLOKOSA-N 1 2 268.316 2.476 40 0 aggregator CEABLO O=CN1CCC[C@@H]1c1ccc[nH+]c1N1CCCCC1 ZINC000072216090 394593667 /nfs/dbraw/zinc/59/36/67/394593667.db2.gz HBMWYUALLAZGSC-CQSZACIVSA-N 1 2 259.353 2.365 40 0 CEABLO Cn1cc[nH+]c1[C@H](NC(=O)C1CC1)c1ccc(F)c(F)c1 ZINC000072373524 176384501 /nfs/dbraw/zinc/38/45/01/176384501.db2.gz FYHQVIYCBGHPCX-CYBMUJFWSA-N 1 2 291.301 2.314 40 0 CEABLO C[N@@H+]1CCCC[C@@H]1c1cc(C(=O)NC2CCCC2)[nH]n1 ZINC000072380448 176387005 /nfs/dbraw/zinc/38/70/05/176387005.db2.gz JVQYGHBNEMHAFI-CQSZACIVSA-N 1 2 276.384 2.239 40 0 CEABLO C[N@H+]1CCCC[C@@H]1c1cc(C(=O)NC2CCCC2)[nH]n1 ZINC000072380448 176387006 /nfs/dbraw/zinc/38/70/06/176387006.db2.gz JVQYGHBNEMHAFI-CQSZACIVSA-N 1 2 276.384 2.239 40 0 CEABLO C[N@@H+]1CCCC[C@@H]1c1cc(C(=O)NC2CCCC2)n[nH]1 ZINC000072380448 176387007 /nfs/dbraw/zinc/38/70/07/176387007.db2.gz JVQYGHBNEMHAFI-CQSZACIVSA-N 1 2 276.384 2.239 40 0 CEABLO C[N@H+]1CCCC[C@@H]1c1cc(C(=O)NC2CCCC2)n[nH]1 ZINC000072380448 176387008 /nfs/dbraw/zinc/38/70/08/176387008.db2.gz JVQYGHBNEMHAFI-CQSZACIVSA-N 1 2 276.384 2.239 40 0 CEABLO Fc1ccccc1C1=NO[C@H]2C[N@H+](Cc3cccnc3)C[C@@H]12 ZINC000072398489 176397196 /nfs/dbraw/zinc/39/71/96/176397196.db2.gz YSIBZSRIWQELLF-ZBFHGGJFSA-N 1 2 297.333 2.456 40 0 CEABLO Fc1ccccc1C1=NO[C@H]2C[N@@H+](Cc3cccnc3)C[C@@H]12 ZINC000072398489 176397198 /nfs/dbraw/zinc/39/71/98/176397198.db2.gz YSIBZSRIWQELLF-ZBFHGGJFSA-N 1 2 297.333 2.456 40 0 CEABLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CCO[C@@H](C)C1 ZINC000195548670 278201320 /nfs/dbraw/zinc/20/13/20/278201320.db2.gz ZVDLOJVDZZCZDB-RDBSUJKOSA-N 1 2 288.391 2.073 40 0 CEABLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CCO[C@@H](C)C1 ZINC000195548670 278201322 /nfs/dbraw/zinc/20/13/22/278201322.db2.gz ZVDLOJVDZZCZDB-RDBSUJKOSA-N 1 2 288.391 2.073 40 0 CEABLO O=S1(=O)c2ccccc2[C@@H]2C[N@@H+](Cc3ccoc3)C[C@@H]21 ZINC000306129245 280352509 /nfs/dbraw/zinc/35/25/09/280352509.db2.gz HYGMOBPFLGXLAT-ZFWWWQNUSA-N 1 2 289.356 2.035 40 0 CEABLO O=S1(=O)c2ccccc2[C@@H]2C[N@H+](Cc3ccoc3)C[C@@H]21 ZINC000306129245 280352510 /nfs/dbraw/zinc/35/25/10/280352510.db2.gz HYGMOBPFLGXLAT-ZFWWWQNUSA-N 1 2 289.356 2.035 40 0 CEABLO O[C@H]1CC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000061708112 526310544 /nfs/dbraw/zinc/31/05/44/526310544.db2.gz SDWWHDSZZOVWTN-VIFPVBQESA-N 1 2 274.133 2.155 40 0 CEABLO O[C@H]1CC[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000061708112 526310550 /nfs/dbraw/zinc/31/05/50/526310550.db2.gz SDWWHDSZZOVWTN-VIFPVBQESA-N 1 2 274.133 2.155 40 0 CEABLO [NH3+][C@H](c1nc([C@@H]2CCCO2)n[nH]1)c1ccc(Cl)cc1 ZINC000095534020 185006790 /nfs/dbraw/zinc/00/67/90/185006790.db2.gz UCZQDFONDINEBA-QWRGUYRKSA-N 1 2 278.743 2.358 40 0 CEABLO COc1ccc([C@H]([NH3+])c2nc(C(C)(C)C)n[nH]2)cc1OC ZINC000095533877 185007542 /nfs/dbraw/zinc/00/75/42/185007542.db2.gz OYKUNAUZWAWOJI-LBPRGKRZSA-N 1 2 290.367 2.168 40 0 CEABLO COc1ccc([C@H]([NH3+])c2nnc(C(C)(C)C)[nH]2)cc1OC ZINC000095533877 185007543 /nfs/dbraw/zinc/00/75/43/185007543.db2.gz OYKUNAUZWAWOJI-LBPRGKRZSA-N 1 2 290.367 2.168 40 0 CEABLO CCOC[C@H]1C[N@H+](Cc2ccc(C)o2)Cc2nn(C)cc21 ZINC000096060381 185080524 /nfs/dbraw/zinc/08/05/24/185080524.db2.gz REGQKMRPZGVPFW-CYBMUJFWSA-N 1 2 289.379 2.457 40 0 CEABLO CCOC[C@H]1C[N@@H+](Cc2ccc(C)o2)Cc2nn(C)cc21 ZINC000096060381 185080525 /nfs/dbraw/zinc/08/05/25/185080525.db2.gz REGQKMRPZGVPFW-CYBMUJFWSA-N 1 2 289.379 2.457 40 0 CEABLO CO[C@@H]1CCOC2(C[NH+](Cc3ccsc3)C2)C1 ZINC000585105274 345006139 /nfs/dbraw/zinc/00/61/39/345006139.db2.gz RWLIPJAAHMAJOI-GFCCVEGCSA-N 1 2 253.367 2.128 40 0 CEABLO CO[C@@H]1C[N@H+](Cc2ncc[nH]2)CC[C@@H]1Cc1ccccc1 ZINC000585279614 345009879 /nfs/dbraw/zinc/00/98/79/345009879.db2.gz WFESANTXASFADW-HZPDHXFCSA-N 1 2 285.391 2.489 40 0 CEABLO CO[C@@H]1C[N@@H+](Cc2ncc[nH]2)CC[C@@H]1Cc1ccccc1 ZINC000585279614 345009880 /nfs/dbraw/zinc/00/98/80/345009880.db2.gz WFESANTXASFADW-HZPDHXFCSA-N 1 2 285.391 2.489 40 0 CEABLO FC(F)(F)c1[nH]c2ncccc2c1C[NH+]1CCOCC1 ZINC000019345135 361528555 /nfs/dbraw/zinc/52/85/55/361528555.db2.gz JEFGDGNMRKZJBK-UHFFFAOYSA-N 1 2 285.269 2.414 40 0 CEABLO C[C@H](Cc1cccs1)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC000019457239 361536112 /nfs/dbraw/zinc/53/61/12/361536112.db2.gz GDVOSUXTPHTZJS-MNOVXSKESA-N 1 2 263.366 2.253 40 0 CEABLO C[C@@H]1C[NH+](Cc2ccnc(-c3ccncc3)n2)C[C@@H](C)O1 ZINC000019497557 361539166 /nfs/dbraw/zinc/53/91/66/361539166.db2.gz GESQJDNJSKCVEJ-CHWSQXEVSA-N 1 2 284.363 2.148 40 0 CEABLO Cc1[nH]c2ccc(NC(=O)C[C@H](C)n3cncn3)cc2[nH+]1 ZINC000019576743 361543831 /nfs/dbraw/zinc/54/38/31/361543831.db2.gz WBRQRRDSFOUXJJ-VIFPVBQESA-N 1 2 284.323 2.053 40 0 CEABLO CC(C)(C)OC(=O)N1CCC(Oc2cc[nH+]cc2N)CC1 ZINC000095097681 364340077 /nfs/dbraw/zinc/34/00/77/364340077.db2.gz VHKAUCQIQAICIV-UHFFFAOYSA-N 1 2 293.367 2.442 40 0 CEABLO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccn(CCF)n1 ZINC000256054098 190005038 /nfs/dbraw/zinc/00/50/38/190005038.db2.gz UXVIZBVEQQAMKQ-UHFFFAOYSA-N 1 2 279.363 2.228 40 0 CEABLO CCCn1ccc(C[NH2+]Cc2c(C)cnn2CC)n1 ZINC000256053165 190004553 /nfs/dbraw/zinc/00/45/53/190004553.db2.gz QHWNHJSVCDBDKT-UHFFFAOYSA-N 1 2 261.373 2.108 40 0 CEABLO COc1ncc(C[N@@H+]2CCC[C@]2(C)c2nccc(C)n2)cn1 ZINC000257214738 190013264 /nfs/dbraw/zinc/01/32/64/190013264.db2.gz CNFLDDOYNBLMSI-MRXNPFEDSA-N 1 2 299.378 2.095 40 0 CEABLO COc1ncc(C[N@H+]2CCC[C@]2(C)c2nccc(C)n2)cn1 ZINC000257214738 190013265 /nfs/dbraw/zinc/01/32/65/190013265.db2.gz CNFLDDOYNBLMSI-MRXNPFEDSA-N 1 2 299.378 2.095 40 0 CEABLO c1cc(C[N@H+]2CCOC[C@@H]2CCc2cnccn2)cs1 ZINC000257214779 190013346 /nfs/dbraw/zinc/01/33/46/190013346.db2.gz CNKPCHNAEMNMLH-HNNXBMFYSA-N 1 2 289.404 2.372 40 0 CEABLO c1cc(C[N@@H+]2CCOC[C@@H]2CCc2cnccn2)cs1 ZINC000257214779 190013347 /nfs/dbraw/zinc/01/33/47/190013347.db2.gz CNKPCHNAEMNMLH-HNNXBMFYSA-N 1 2 289.404 2.372 40 0 CEABLO Cc1cc(CC2CCN(C(=O)c3ccno3)CC2)cc[nH+]1 ZINC000257231258 190016379 /nfs/dbraw/zinc/01/63/79/190016379.db2.gz GFYPXICGMGBUIO-UHFFFAOYSA-N 1 2 285.347 2.473 40 0 CEABLO CCc1cc(C(=O)N2CCC[C@@H]2c2[nH]cc(C)[nH+]2)on1 ZINC000257264603 190022899 /nfs/dbraw/zinc/02/28/99/190022899.db2.gz LVFONLMDFXIMNO-LLVKDONJSA-N 1 2 274.324 2.246 40 0 CEABLO CNc1nccnc1[C@@H]1C[N@H+](Cc2ccsc2)CCO1 ZINC000257325209 190034267 /nfs/dbraw/zinc/03/42/67/190034267.db2.gz WRYOQLHSMFBCHQ-LBPRGKRZSA-N 1 2 290.392 2.153 40 0 CEABLO CNc1nccnc1[C@@H]1C[N@@H+](Cc2ccsc2)CCO1 ZINC000257325209 190034268 /nfs/dbraw/zinc/03/42/68/190034268.db2.gz WRYOQLHSMFBCHQ-LBPRGKRZSA-N 1 2 290.392 2.153 40 0 CEABLO CC(=O)N1CC[N@H+](Cc2[nH]cnc2C)C[C@@H]1c1ccccc1 ZINC000257342619 190037270 /nfs/dbraw/zinc/03/72/70/190037270.db2.gz ZPLMMDFEPBEFNM-QGZVFWFLSA-N 1 2 298.390 2.124 40 0 CEABLO CC(=O)N1CC[N@@H+](Cc2[nH]cnc2C)C[C@@H]1c1ccccc1 ZINC000257342619 190037271 /nfs/dbraw/zinc/03/72/71/190037271.db2.gz ZPLMMDFEPBEFNM-QGZVFWFLSA-N 1 2 298.390 2.124 40 0 CEABLO O=S1(=O)c2ccccc2[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]21 ZINC000306129244 376540905 /nfs/dbraw/zinc/54/09/05/376540905.db2.gz HYGMOBPFLGXLAT-UKRRQHHQSA-N 1 2 289.356 2.035 40 0 CEABLO O=S1(=O)c2ccccc2[C@H]2C[N@H+](Cc3ccoc3)C[C@H]21 ZINC000306129244 376540910 /nfs/dbraw/zinc/54/09/10/376540910.db2.gz HYGMOBPFLGXLAT-UKRRQHHQSA-N 1 2 289.356 2.035 40 0 CEABLO COc1cccc(NCc2nnc([C@@H]([NH3+])C(C)C)[nH]2)c1 ZINC000095534742 256744387 /nfs/dbraw/zinc/74/43/87/256744387.db2.gz KVYIFOYNQVWFDS-ZDUSSCGKSA-N 1 2 275.356 2.081 40 0 CEABLO COc1cccc(NCc2nc([C@@H]([NH3+])C(C)C)n[nH]2)c1 ZINC000095534742 256744390 /nfs/dbraw/zinc/74/43/90/256744390.db2.gz KVYIFOYNQVWFDS-ZDUSSCGKSA-N 1 2 275.356 2.081 40 0 CEABLO CCOc1ccc([C@@]23[NH2+]CCN2C(=O)c2ccccc23)cc1 ZINC000039281152 394498864 /nfs/dbraw/zinc/49/88/64/394498864.db2.gz STBOUAXBDREWAE-GOSISDBHSA-N 1 2 294.354 2.345 40 0 CEABLO Cc1cc(N2CC[NH+](C)CC2)ncc1C(=O)c1ccccc1 ZINC000072223600 394594518 /nfs/dbraw/zinc/59/45/18/394594518.db2.gz MGXYTWASXVBUAH-UHFFFAOYSA-N 1 2 295.386 2.373 40 0 CEABLO Cc1cc(N2CCO[C@@H](c3cc4cccnc4[nH]3)C2)nc[nH+]1 ZINC000072364126 394598123 /nfs/dbraw/zinc/59/81/23/394598123.db2.gz IULOPJDDWSAUNJ-CQSZACIVSA-N 1 2 295.346 2.239 40 0 CEABLO COC(=O)c1ccc2[nH][n+](C=Cc3ccccc3)nc2c1 ZINC000255188527 400316713 /nfs/dbraw/zinc/31/67/13/400316713.db2.gz KJNQBQYSRWCWKO-MDZDMXLPSA-O 1 2 280.307 2.265 40 0 CEABLO COc1c(Cl)cc(C)cc1C(=O)N1CC[NH+](C)CC1 ZINC000072206597 176342379 /nfs/dbraw/zinc/34/23/79/176342379.db2.gz HOXISBALBVBLDP-UHFFFAOYSA-N 1 2 282.771 2.045 40 0 CEABLO C[C@H]1CCc2nc(NC(=O)CCn3cc[nH+]c3)sc2C1 ZINC000019497188 278389461 /nfs/dbraw/zinc/38/94/61/278389461.db2.gz DFAMVWHIQZPXLS-JTQLQIEISA-N 1 2 290.392 2.493 40 0 CEABLO CC(C)(C)c1nc(Cl)cc(NCC[NH+]2CCOCC2)n1 ZINC000082509739 178076980 /nfs/dbraw/zinc/07/69/80/178076980.db2.gz UDWZUEVCMLTLSV-UHFFFAOYSA-N 1 2 298.818 2.172 40 0 CEABLO O=C(NCC1=[NH+]CCc2ccccc21)c1ccccc1 ZINC000095934626 185033618 /nfs/dbraw/zinc/03/36/18/185033618.db2.gz DDRCVGMISHCXCP-UHFFFAOYSA-N 1 2 264.328 2.462 40 0 CEABLO COC[C@@H]1CN(Cc2ccccc2F)Cc2[nH+]cn(C)c21 ZINC000096044778 185071865 /nfs/dbraw/zinc/07/18/65/185071865.db2.gz SEVKKDFPZIEYTK-ZDUSSCGKSA-N 1 2 289.354 2.305 40 0 CEABLO COC[C@@H]1C[N@H+](Cc2ccccc2F)Cc2ncn(C)c21 ZINC000096044778 185071867 /nfs/dbraw/zinc/07/18/67/185071867.db2.gz SEVKKDFPZIEYTK-ZDUSSCGKSA-N 1 2 289.354 2.305 40 0 CEABLO COC[C@@H]1C[N@@H+](Cc2ccccc2F)Cc2ncn(C)c21 ZINC000096044778 185071868 /nfs/dbraw/zinc/07/18/68/185071868.db2.gz SEVKKDFPZIEYTK-ZDUSSCGKSA-N 1 2 289.354 2.305 40 0 CEABLO CCn1ncc2c1[C@@H](COC)C[N@H+](Cc1ccco1)C2 ZINC000096060130 185080129 /nfs/dbraw/zinc/08/01/29/185080129.db2.gz LWKXHVJIYHFHBR-CYBMUJFWSA-N 1 2 275.352 2.242 40 0 CEABLO CCn1ncc2c1[C@@H](COC)C[N@@H+](Cc1ccco1)C2 ZINC000096060130 185080130 /nfs/dbraw/zinc/08/01/30/185080130.db2.gz LWKXHVJIYHFHBR-CYBMUJFWSA-N 1 2 275.352 2.242 40 0 CEABLO CCOC[C@@H]1CN(Cc2ccco2)Cc2[nH+]cn(C)c21 ZINC000096060202 185081560 /nfs/dbraw/zinc/08/15/60/185081560.db2.gz GVMRNKOXKBOACE-LBPRGKRZSA-N 1 2 275.352 2.149 40 0 CEABLO CCOC[C@@H]1C[N@H+](Cc2ccco2)Cc2ncn(C)c21 ZINC000096060202 185081561 /nfs/dbraw/zinc/08/15/61/185081561.db2.gz GVMRNKOXKBOACE-LBPRGKRZSA-N 1 2 275.352 2.149 40 0 CEABLO CCOC[C@@H]1C[N@@H+](Cc2ccco2)Cc2ncn(C)c21 ZINC000096060202 185081562 /nfs/dbraw/zinc/08/15/62/185081562.db2.gz GVMRNKOXKBOACE-LBPRGKRZSA-N 1 2 275.352 2.149 40 0 CEABLO Cc1ccc(SCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000047465640 362209815 /nfs/dbraw/zinc/20/98/15/362209815.db2.gz LGCVDRRZGQVQEN-UHFFFAOYSA-N 1 2 289.404 2.490 40 0 CEABLO CC(C)(C)OC(=O)N1CCC(Oc2cc(N)cc[nH+]2)CC1 ZINC000150021399 344415847 /nfs/dbraw/zinc/41/58/47/344415847.db2.gz ILEDGRIPSHSTFF-UHFFFAOYSA-N 1 2 293.367 2.442 40 0 CEABLO CNc1cc([C@@H]2CCCN(c3cnccn3)C2)[nH+]c(C)n1 ZINC000072363826 363130829 /nfs/dbraw/zinc/13/08/29/363130829.db2.gz ZDQZIXFYIDEWBE-GFCCVEGCSA-N 1 2 284.367 2.001 40 0 CEABLO CC(C)[C@@H](C)NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000073522918 363225740 /nfs/dbraw/zinc/22/57/40/363225740.db2.gz VKBUHCIWKNOGSC-CQSZACIVSA-N 1 2 290.407 2.293 40 0 CEABLO CC[C@@H](C)Nc1nc(NC)cc(-c2ccccc2)[nH+]1 ZINC000329033311 202161292 /nfs/dbraw/zinc/16/12/92/202161292.db2.gz QTMJMRKAXYAYBN-LLVKDONJSA-N 1 2 256.353 2.240 40 0 CEABLO CC(C)(C)OC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000079387640 363592514 /nfs/dbraw/zinc/59/25/14/363592514.db2.gz GSPPPUFHXZAFAE-NSHDSACASA-N 1 2 263.341 2.185 40 0 CEABLO COCC(=O)N1CCC[C@H](c2[nH+]c(C)n3ccsc23)C1 ZINC000019240748 361522808 /nfs/dbraw/zinc/52/28/08/361522808.db2.gz DKTZHEOVLXABMO-NSHDSACASA-N 1 2 293.392 2.057 40 0 CEABLO CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(C)o1 ZINC000096260277 364418705 /nfs/dbraw/zinc/41/87/05/364418705.db2.gz YBGXCOXSECHBSV-OAHLLOKOSA-N 1 2 289.379 2.457 40 0 CEABLO CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(C)o1 ZINC000096260277 364418710 /nfs/dbraw/zinc/41/87/10/364418710.db2.gz YBGXCOXSECHBSV-OAHLLOKOSA-N 1 2 289.379 2.457 40 0 CEABLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000228962626 370416628 /nfs/dbraw/zinc/41/66/28/370416628.db2.gz UAFOCJAGVNLEDU-AWEZNQCLSA-N 1 2 277.364 2.229 40 0 CEABLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000228962626 370416635 /nfs/dbraw/zinc/41/66/35/370416635.db2.gz UAFOCJAGVNLEDU-AWEZNQCLSA-N 1 2 277.364 2.229 40 0 CEABLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@@H]2CC=CCC2)C1 ZINC000332761727 204946887 /nfs/dbraw/zinc/94/68/87/204946887.db2.gz OSUMLFVLOXKVEH-QWHCGFSZSA-N 1 2 274.368 2.028 40 0 CEABLO CCCn1cc(C[NH2+]Cc2ccn(C(C)C)n2)cn1 ZINC000256050856 190002984 /nfs/dbraw/zinc/00/29/84/190002984.db2.gz GSUATVXYKJPCTM-UHFFFAOYSA-N 1 2 261.373 2.360 40 0 CEABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3n[nH]c4ccccc43)C2)[nH+]1 ZINC000257218054 190014016 /nfs/dbraw/zinc/01/40/16/190014016.db2.gz DBRDKJZFNHVPFE-NSHDSACASA-N 1 2 295.346 2.224 40 0 CEABLO Fc1cccc(C[C@@H]2COCC[N@H+](Cc3ncc[nH]3)C2)c1 ZINC000257279169 190025241 /nfs/dbraw/zinc/02/52/41/190025241.db2.gz OFILTXSTJTVWNX-AWEZNQCLSA-N 1 2 289.354 2.240 40 0 CEABLO Fc1cccc(C[C@@H]2COCC[N@@H+](Cc3ncc[nH]3)C2)c1 ZINC000257279169 190025242 /nfs/dbraw/zinc/02/52/42/190025242.db2.gz OFILTXSTJTVWNX-AWEZNQCLSA-N 1 2 289.354 2.240 40 0 CEABLO Cn1cnc(C[N@@H+]2CCCC[C@@H]2c2ccn3nccc3n2)c1 ZINC000257299277 190029890 /nfs/dbraw/zinc/02/98/90/190029890.db2.gz RPKBFSRNDCFCJP-OAHLLOKOSA-N 1 2 296.378 2.190 40 0 CEABLO Cn1cnc(C[N@H+]2CCCC[C@@H]2c2ccn3nccc3n2)c1 ZINC000257299277 190029891 /nfs/dbraw/zinc/02/98/91/190029891.db2.gz RPKBFSRNDCFCJP-OAHLLOKOSA-N 1 2 296.378 2.190 40 0 CEABLO CC(=O)N1CCC[C@@H]1c1nc(C)cc(-c2c[nH+]c(C)n2C)n1 ZINC000257311186 190032212 /nfs/dbraw/zinc/03/22/12/190032212.db2.gz UIHYXYCHHDVEDT-CQSZACIVSA-N 1 2 299.378 2.177 40 0 CEABLO CNc1cc([C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)ccn1 ZINC000257323147 190034229 /nfs/dbraw/zinc/03/42/29/190034229.db2.gz WIYDBDDOFOOAHU-HNNXBMFYSA-N 1 2 285.395 2.236 40 0 CEABLO CNc1cc([C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)ccn1 ZINC000257323147 190034230 /nfs/dbraw/zinc/03/42/30/190034230.db2.gz WIYDBDDOFOOAHU-HNNXBMFYSA-N 1 2 285.395 2.236 40 0 CEABLO C[N@@H+]1CCC[C@H]2N(C(=O)c3ccccn3)CCC[C@@]21C ZINC000257324593 190034321 /nfs/dbraw/zinc/03/43/21/190034321.db2.gz WPJCGTZMBNIURN-ZBFHGGJFSA-N 1 2 273.380 2.171 40 0 CEABLO C[N@H+]1CCC[C@H]2N(C(=O)c3ccccn3)CCC[C@@]21C ZINC000257324593 190034322 /nfs/dbraw/zinc/03/43/22/190034322.db2.gz WPJCGTZMBNIURN-ZBFHGGJFSA-N 1 2 273.380 2.171 40 0 CEABLO CCOc1ccc([C@]23[NH2+]CCN2C(=O)c2ccccc23)cc1 ZINC000039281151 394499223 /nfs/dbraw/zinc/49/92/23/394499223.db2.gz STBOUAXBDREWAE-SFHVURJKSA-N 1 2 294.354 2.345 40 0 CEABLO Cc1cc(N2CCC(c3nccnc3C)CC2)nc[nH+]1 ZINC000072385544 394598366 /nfs/dbraw/zinc/59/83/66/394598366.db2.gz ZENBFTCAOFRNNR-UHFFFAOYSA-N 1 2 269.352 2.267 40 0 CEABLO Cc1cc2[nH+]c[nH]c2cc1I ZINC000097446425 394700481 /nfs/dbraw/zinc/70/04/81/394700481.db2.gz SXYDFDIWBYVHOJ-UHFFFAOYSA-N 1 2 258.062 2.476 40 0 CEABLO CCCCCOC(=O)C[C@H]([NH3+])C(=O)OCCCCC ZINC000005973240 170164441 /nfs/dbraw/zinc/16/44/41/170164441.db2.gz JLGRDBIVWOHDEA-LBPRGKRZSA-N 1 2 273.373 2.171 40 0 CEABLO C[NH+]1CCN(C(=O)c2scc3c2CCCC3)CC1 ZINC000022063240 171351542 /nfs/dbraw/zinc/35/15/42/171351542.db2.gz RCHOYZMRIARIKY-UHFFFAOYSA-N 1 2 264.394 2.015 40 0 CEABLO Nc1[nH]c(C(F)(F)F)c([C@@H](O)c2ccccc2)[nH+]1 ZINC000044137472 175145867 /nfs/dbraw/zinc/14/58/67/175145867.db2.gz LGCQCLRAGWBHIP-QMMMGPOBSA-N 1 2 257.215 2.092 40 0 CEABLO c1cc(CN2Cc3[nH+]ccn3C[C@H]2c2ccccc2)n[nH]1 ZINC000257203158 304859708 /nfs/dbraw/zinc/85/97/08/304859708.db2.gz AOXFHMDMRWXGCR-HNNXBMFYSA-N 1 2 279.347 2.363 40 0 CEABLO COc1ccc([C@@H]([NH3+])c2nc(C(C)(C)C)n[nH]2)cc1 ZINC000095533734 185007600 /nfs/dbraw/zinc/00/76/00/185007600.db2.gz DUCWNSLQBGTMGI-LLVKDONJSA-N 1 2 260.341 2.159 40 0 CEABLO COc1ccc([C@@H]([NH3+])c2nnc(C(C)(C)C)[nH]2)cc1 ZINC000095533734 185007601 /nfs/dbraw/zinc/00/76/01/185007601.db2.gz DUCWNSLQBGTMGI-LLVKDONJSA-N 1 2 260.341 2.159 40 0 CEABLO CCOC[C@@H]1CN(Cc2nccs2)Cc2[nH+]cn(C)c21 ZINC000096044814 185071900 /nfs/dbraw/zinc/07/19/00/185071900.db2.gz GPRMVBFACXHCBJ-NSHDSACASA-N 1 2 292.408 2.013 40 0 CEABLO CCOC[C@@H]1Cn2ccnc2C[N@H+](Cc2ccco2)C1 ZINC000096059113 185078946 /nfs/dbraw/zinc/07/89/46/185078946.db2.gz YKZHYZCDSUQDQM-ZDUSSCGKSA-N 1 2 275.352 2.145 40 0 CEABLO CCOC[C@@H]1Cn2ccnc2C[N@@H+](Cc2ccco2)C1 ZINC000096059113 185078948 /nfs/dbraw/zinc/07/89/48/185078948.db2.gz YKZHYZCDSUQDQM-ZDUSSCGKSA-N 1 2 275.352 2.145 40 0 CEABLO CCOC[C@@H]1Cn2cc[nH+]c2CN(Cc2ccco2)C1 ZINC000096059113 185078949 /nfs/dbraw/zinc/07/89/49/185078949.db2.gz YKZHYZCDSUQDQM-ZDUSSCGKSA-N 1 2 275.352 2.145 40 0 CEABLO CCOC[C@H]1C[N@H+](Cc2ccco2)Cc2cn(C)nc21 ZINC000096059825 185081247 /nfs/dbraw/zinc/08/12/47/185081247.db2.gz LNMOOXIZAIJHMT-CYBMUJFWSA-N 1 2 275.352 2.149 40 0 CEABLO CCOC[C@H]1C[N@@H+](Cc2ccco2)Cc2cn(C)nc21 ZINC000096059825 185081249 /nfs/dbraw/zinc/08/12/49/185081249.db2.gz LNMOOXIZAIJHMT-CYBMUJFWSA-N 1 2 275.352 2.149 40 0 CEABLO CC(C)OCc1nn(C)c2c1CC[N@H+](Cc1ccoc1)C2 ZINC000096084992 185091875 /nfs/dbraw/zinc/09/18/75/185091875.db2.gz MPVIGFJYWNSVQA-UHFFFAOYSA-N 1 2 289.379 2.496 40 0 CEABLO CC(C)OCc1nn(C)c2c1CC[N@@H+](Cc1ccoc1)C2 ZINC000096084992 185091877 /nfs/dbraw/zinc/09/18/77/185091877.db2.gz MPVIGFJYWNSVQA-UHFFFAOYSA-N 1 2 289.379 2.496 40 0 CEABLO CC1(C)CN(c2cc(NCCO)[nH+]cn2)Cc2ccccc21 ZINC000328997275 136377152 /nfs/dbraw/zinc/37/71/52/136377152.db2.gz JNLTUKYOEISEML-UHFFFAOYSA-N 1 2 298.390 2.179 40 0 CEABLO CC1(C)CN(c2cc(NCCO)nc[nH+]2)Cc2ccccc21 ZINC000328997275 136377153 /nfs/dbraw/zinc/37/71/53/136377153.db2.gz JNLTUKYOEISEML-UHFFFAOYSA-N 1 2 298.390 2.179 40 0 CEABLO C[C@@H](CO)Nc1cc(N2Cc3ccccc3C[C@H]2C)nc[nH+]1 ZINC000329017981 136377755 /nfs/dbraw/zinc/37/77/55/136377755.db2.gz NOLGDTYLDCUORG-QWHCGFSZSA-N 1 2 298.390 2.221 40 0 CEABLO C[C@@H](CO)Nc1cc(N2Cc3ccccc3C[C@H]2C)[nH+]cn1 ZINC000329017981 136377756 /nfs/dbraw/zinc/37/77/56/136377756.db2.gz NOLGDTYLDCUORG-QWHCGFSZSA-N 1 2 298.390 2.221 40 0 CEABLO CNc1cc(C)[nH+]c([C@H]2CCCN(c3ncccn3)C2)n1 ZINC000072356729 363131593 /nfs/dbraw/zinc/13/15/93/363131593.db2.gz VLDIPTSUTAAJRB-LBPRGKRZSA-N 1 2 284.367 2.001 40 0 CEABLO Cc1nc(N2CCC(c3cncc(N(C)C)n3)CC2)cc[nH+]1 ZINC000072364332 363131836 /nfs/dbraw/zinc/13/18/36/363131836.db2.gz GCVIYOXEORYCKC-UHFFFAOYSA-N 1 2 298.394 2.025 40 0 CEABLO CNc1cc(C)[nH+]c(C2CCN(c3cc(C)ncn3)CC2)n1 ZINC000072364145 363131842 /nfs/dbraw/zinc/13/18/42/363131842.db2.gz PXDDCEFYYFLEQV-UHFFFAOYSA-N 1 2 298.394 2.309 40 0 CEABLO C[N@H+](Cc1ccccc1Cl)[C@@]1(C)CCS(=O)(=O)C1 ZINC000575423114 366283964 /nfs/dbraw/zinc/28/39/64/366283964.db2.gz YFPIPQWYXLMHMP-ZDUSSCGKSA-N 1 2 287.812 2.349 40 0 CEABLO C[N@@H+](Cc1ccccc1Cl)[C@@]1(C)CCS(=O)(=O)C1 ZINC000575423114 366283969 /nfs/dbraw/zinc/28/39/69/366283969.db2.gz YFPIPQWYXLMHMP-ZDUSSCGKSA-N 1 2 287.812 2.349 40 0 CEABLO CNc1nc(Nc2ccc(O)cc2Cl)cc(C2CC2)[nH+]1 ZINC000328985815 202142149 /nfs/dbraw/zinc/14/21/49/202142149.db2.gz HVRSYNLDFUJHLX-UHFFFAOYSA-N 1 2 290.754 2.342 40 0 CEABLO CNc1nc(Nc2ccc(F)cc2F)cc(C2CC2)[nH+]1 ZINC000328968942 202135966 /nfs/dbraw/zinc/13/59/66/202135966.db2.gz DBKMMMZWURXWPW-UHFFFAOYSA-N 1 2 276.290 2.261 40 0 CEABLO CCNc1nc(NC[C@@H]2CCCO2)cc(-c2ccccc2)[nH+]1 ZINC000329032848 202162911 /nfs/dbraw/zinc/16/29/11/202162911.db2.gz QQGSNURDPBAFSC-AWEZNQCLSA-N 1 2 298.390 2.010 40 0 CEABLO Nc1[nH+]cnc2c1cnn2Cc1ccc(Cl)cc1 ZINC000001691639 361217438 /nfs/dbraw/zinc/21/74/38/361217438.db2.gz BHHBIEOLRILLOB-UHFFFAOYSA-N 1 2 259.700 2.110 40 0 CEABLO [NH3+]Cc1cc(Br)c(O)c(Br)c1 ZINC000002524599 361237931 /nfs/dbraw/zinc/23/79/31/361237931.db2.gz XLWJVYYSWQWBNB-UHFFFAOYSA-N 1 2 280.947 2.376 40 0 CEABLO CC[C@@](C)(C(=O)OC)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000030769397 361702546 /nfs/dbraw/zinc/70/25/46/361702546.db2.gz LOMWQANICGDYHY-INIZCTEOSA-N 1 2 294.370 2.289 40 0 CEABLO CC(C)Nc1nc(NC2CC2)c2c([nH+]1)CCN(CCF)C2 ZINC000096254191 364416444 /nfs/dbraw/zinc/41/64/44/364416444.db2.gz JTZUXVMEXIIRRT-UHFFFAOYSA-N 1 2 293.390 2.199 40 0 CEABLO COC(=O)[C@]1([NH3+])CC1(c1ccccc1)c1ccccc1 ZINC000215942578 370182605 /nfs/dbraw/zinc/18/26/05/370182605.db2.gz LRGZAIAPYNJCEW-QGZVFWFLSA-N 1 2 267.328 2.247 40 0 CEABLO Cc1cc(N2C[C@@H]3[C@@H](Cc4ncccn4)CC[C@@H]3C2)nc[nH+]1 ZINC000257296244 190028802 /nfs/dbraw/zinc/02/88/02/190028802.db2.gz RBWPDZFWQUMJID-RBSFLKMASA-N 1 2 295.390 2.280 40 0 CEABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccccn3)C2)[nH+]1 ZINC000257301793 190030261 /nfs/dbraw/zinc/03/02/61/190030261.db2.gz RZXVQRAMLRGTNZ-GFCCVEGCSA-N 1 2 270.336 2.133 40 0 CEABLO CC(=O)N1CCC[C@H]1c1nc(C)cc(-c2c[nH+]c(C)n2C)n1 ZINC000257311185 190031909 /nfs/dbraw/zinc/03/19/09/190031909.db2.gz UIHYXYCHHDVEDT-AWEZNQCLSA-N 1 2 299.378 2.177 40 0 CEABLO CC(=O)N1CC[N@H+](Cc2ccccn2)[C@@H](c2ccccc2)C1 ZINC000257330049 190034704 /nfs/dbraw/zinc/03/47/04/190034704.db2.gz XMODNUUFHHQXCS-GOSISDBHSA-N 1 2 295.386 2.487 40 0 CEABLO CC(=O)N1CC[N@@H+](Cc2ccccn2)[C@@H](c2ccccc2)C1 ZINC000257330049 190034705 /nfs/dbraw/zinc/03/47/05/190034705.db2.gz XMODNUUFHHQXCS-GOSISDBHSA-N 1 2 295.386 2.487 40 0 CEABLO O=C(c1cnco1)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257334240 190035558 /nfs/dbraw/zinc/03/55/58/190035558.db2.gz YFDCLMBQBYGNFX-ZDUSSCGKSA-N 1 2 294.314 2.268 40 0 CEABLO CCOCc1noc2c1C[N@H+](Cc1ccoc1)CC2 ZINC000096260003 256837420 /nfs/dbraw/zinc/83/74/20/256837420.db2.gz ISFJXWGAMBGVEZ-UHFFFAOYSA-N 1 2 262.309 2.362 40 0 CEABLO CCOCc1noc2c1C[N@@H+](Cc1ccoc1)CC2 ZINC000096260003 256837423 /nfs/dbraw/zinc/83/74/23/256837423.db2.gz ISFJXWGAMBGVEZ-UHFFFAOYSA-N 1 2 262.309 2.362 40 0 CEABLO O=CN1CCCC[C@@H]1c1ccc[nH+]c1N1CCCC1 ZINC000072216015 394593534 /nfs/dbraw/zinc/59/35/34/394593534.db2.gz UZGXDMJJLWAEQD-CQSZACIVSA-N 1 2 259.353 2.365 40 0 CEABLO Cc1cccc(C)c1OCC(=O)NCCCn1cc[nH+]c1 ZINC000006382714 170196744 /nfs/dbraw/zinc/19/67/44/170196744.db2.gz WBJRTSJGAVZFKT-UHFFFAOYSA-N 1 2 287.363 2.085 40 0 CEABLO CCOCCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038856865 174158442 /nfs/dbraw/zinc/15/84/42/174158442.db2.gz JJHSEAFMEPRNAF-UHFFFAOYSA-N 1 2 287.363 2.088 40 0 CEABLO CC1(C)CC(=C2COC(=O)C2=O)[NH2+]N1c1ccccc1 ZINC000005447694 278188915 /nfs/dbraw/zinc/18/89/15/278188915.db2.gz CQXWGOZWPQEQBX-UHFFFAOYSA-N 1 2 272.304 2.400 40 0 CEABLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCCCC2=O)CC1 ZINC000049879676 278399835 /nfs/dbraw/zinc/39/98/35/278399835.db2.gz WPTDGLONFNMPDM-GFCCVEGCSA-N 1 2 282.384 2.051 40 0 CEABLO COC[C@@H]1C[N@H+](Cc2ccc(C)o2)Cc2ncn(C)c21 ZINC000096060186 185080961 /nfs/dbraw/zinc/08/09/61/185080961.db2.gz JKNFVRXWCYENMV-LBPRGKRZSA-N 1 2 275.352 2.067 40 0 CEABLO COC[C@@H]1C[N@@H+](Cc2ccc(C)o2)Cc2ncn(C)c21 ZINC000096060186 185080962 /nfs/dbraw/zinc/08/09/62/185080962.db2.gz JKNFVRXWCYENMV-LBPRGKRZSA-N 1 2 275.352 2.067 40 0 CEABLO COC[C@@H]1CN(Cc2ccc(C)o2)Cc2[nH+]cn(C)c21 ZINC000096060186 185080964 /nfs/dbraw/zinc/08/09/64/185080964.db2.gz JKNFVRXWCYENMV-LBPRGKRZSA-N 1 2 275.352 2.067 40 0 CEABLO CCOC[C@H]1C[N@H+](Cc2ccoc2)Cc2cn(C)nc21 ZINC000096059829 185082025 /nfs/dbraw/zinc/08/20/25/185082025.db2.gz JZUWDLPDVCGRNN-CQSZACIVSA-N 1 2 275.352 2.149 40 0 CEABLO CCOC[C@H]1C[N@@H+](Cc2ccoc2)Cc2cn(C)nc21 ZINC000096059829 185082027 /nfs/dbraw/zinc/08/20/27/185082027.db2.gz JZUWDLPDVCGRNN-CQSZACIVSA-N 1 2 275.352 2.149 40 0 CEABLO CNc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc[nH+]1 ZINC000329021767 136377825 /nfs/dbraw/zinc/37/78/25/136377825.db2.gz OJBZRHGGRCBVJR-LLVKDONJSA-N 1 2 284.363 2.134 40 0 CEABLO CNc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)[nH+]cn1 ZINC000329021767 136377826 /nfs/dbraw/zinc/37/78/26/136377826.db2.gz OJBZRHGGRCBVJR-LLVKDONJSA-N 1 2 284.363 2.134 40 0 CEABLO C[NH+](C)[C@]1(C)COc2ccc(Br)cc2C1=O ZINC000055125033 282273813 /nfs/dbraw/zinc/27/38/13/282273813.db2.gz RGHLWEHXQXDNTH-GFCCVEGCSA-N 1 2 284.153 2.345 40 0 CEABLO Cn1cc[nH+]c1CNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000590737307 345171031 /nfs/dbraw/zinc/17/10/31/345171031.db2.gz SNVVROCIQPAAJE-UHFFFAOYSA-N 1 2 288.738 2.485 40 0 CEABLO c1ccc(N2CC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)[nH+]c1 ZINC000107225803 186163583 /nfs/dbraw/zinc/16/35/83/186163583.db2.gz REOYRRRNMKKHNJ-NVXWUHKLSA-N 1 2 297.358 2.293 40 0 CEABLO Cc1ccccc1Nc1cc(C2CC2)[nH+]c(NCCCO)n1 ZINC000328979191 202137153 /nfs/dbraw/zinc/13/71/53/202137153.db2.gz GEGYHVOBCUNFIS-UHFFFAOYSA-N 1 2 298.390 2.044 40 0 CEABLO CNc1cc(-c2ccncc2)[nH+]c(NC2CCCCC2)n1 ZINC000329025772 202157094 /nfs/dbraw/zinc/15/70/94/202157094.db2.gz PISXABDXEYONBG-UHFFFAOYSA-N 1 2 283.379 2.169 40 0 CEABLO CCNc1nc(NC[C@H]2CCCO2)cc(-c2ccccc2)[nH+]1 ZINC000329032849 202161199 /nfs/dbraw/zinc/16/11/99/202161199.db2.gz QQGSNURDPBAFSC-CQSZACIVSA-N 1 2 298.390 2.010 40 0 CEABLO CNc1ccccc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000006712553 361338468 /nfs/dbraw/zinc/33/84/68/361338468.db2.gz VCLSHXCNQFLNLY-UHFFFAOYSA-N 1 2 296.374 2.086 40 0 CEABLO Nc1nc(N)c(-c2ccc(Cl)c(Cl)c2)c(C=O)[nH+]1 ZINC000013284913 361423191 /nfs/dbraw/zinc/42/31/91/361423191.db2.gz QRFQFWHOMFXVPX-UHFFFAOYSA-N 1 2 283.118 2.427 40 0 CEABLO CCC[N@@H+]1CCc2nc3cc(C4CC4)[nH]n3c(=O)c2C1 ZINC000019503487 361538767 /nfs/dbraw/zinc/53/87/67/361538767.db2.gz UZEJOWWZQQZGSJ-UHFFFAOYSA-N 1 2 272.352 2.080 40 0 CEABLO CCC[N@H+]1CCc2nc3cc(C4CC4)[nH]n3c(=O)c2C1 ZINC000019503487 361538770 /nfs/dbraw/zinc/53/87/70/361538770.db2.gz UZEJOWWZQQZGSJ-UHFFFAOYSA-N 1 2 272.352 2.080 40 0 CEABLO CCn1c(C)[nH+]c2cc(NC(=O)c3nonc3C)ccc21 ZINC000019656651 361546735 /nfs/dbraw/zinc/54/67/35/361546735.db2.gz RFDZGJCPLYBNIZ-UHFFFAOYSA-N 1 2 285.307 2.308 40 0 CEABLO CN(C)C(=O)N1CC[C@@]2(C1)CCCN(c1cccc[nH+]1)C2 ZINC000096216800 364411814 /nfs/dbraw/zinc/41/18/14/364411814.db2.gz YJHLRBUSHBRSPH-INIZCTEOSA-N 1 2 288.395 2.056 40 0 CEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)Cc3cccs3)C2)[nH+]1 ZINC000257208051 190011952 /nfs/dbraw/zinc/01/19/52/190011952.db2.gz BKMCYWUKUODUFU-LLVKDONJSA-N 1 2 275.377 2.338 40 0 CEABLO O=C(CCn1cc[nH+]c1)N1CCC[C@@H](Cc2cccnc2)C1 ZINC000257218480 190014199 /nfs/dbraw/zinc/01/41/99/190014199.db2.gz DDGXBXRYBPBEJE-INIZCTEOSA-N 1 2 298.390 2.150 40 0 CEABLO CC(=O)N1CCC[C@H]1c1cccc(-c2c[nH+]cn2C)n1 ZINC000257223715 190014637 /nfs/dbraw/zinc/01/46/37/190014637.db2.gz DYPLXLWFBCZDSJ-AWEZNQCLSA-N 1 2 270.336 2.166 40 0 CEABLO Cc1c[nH]c([C@@H]2CN(Cc3[nH+]ccn3C(C)C)CCO2)n1 ZINC000257267082 190023295 /nfs/dbraw/zinc/02/32/95/190023295.db2.gz MFXIJFIJUTWMIE-ZDUSSCGKSA-N 1 2 289.383 2.069 40 0 CEABLO CC(C)[NH+]1CC(c2ccnc(Nc3nccs3)n2)C1 ZINC000257319441 190033395 /nfs/dbraw/zinc/03/33/95/190033395.db2.gz VSOQLRBOEPVRRT-UHFFFAOYSA-N 1 2 275.381 2.484 40 0 CEABLO COc1ccc(C(=O)N2CCC[C@H]2c2[nH]cc(C)[nH+]2)cn1 ZINC000257329726 190034727 /nfs/dbraw/zinc/03/47/27/190034727.db2.gz XLGBFLFMRVIBSD-LBPRGKRZSA-N 1 2 286.335 2.099 40 0 CEABLO CCn1ccc(C[NH2+]Cc2cc(F)cc(F)c2)n1 ZINC000020349111 171154702 /nfs/dbraw/zinc/15/47/02/171154702.db2.gz FWCICUZXKRVYRV-UHFFFAOYSA-N 1 2 251.280 2.471 40 0 CEABLO O=C(C1CCC1)N1CCC[C@@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378496 176385743 /nfs/dbraw/zinc/38/57/43/176385743.db2.gz SZZJFTZTVHAMJA-CQSZACIVSA-N 1 2 297.362 2.126 40 0 CEABLO Cc1nnc(Nc2cc([C@H]3CCC[NH2+]3)nc(C)n2)s1 ZINC000072382168 176388470 /nfs/dbraw/zinc/38/84/70/176388470.db2.gz FSAQXJNUQGHHPK-SECBINFHSA-N 1 2 276.369 2.113 40 0 CEABLO Cc1nc(N)cc([C@H]2CC[N@@H+]2Cc2ccc(O)cc2)n1 ZINC000072387552 176392545 /nfs/dbraw/zinc/39/25/45/176392545.db2.gz OXSFWKCWDPXDDU-CQSZACIVSA-N 1 2 270.336 2.020 40 0 CEABLO Cc1nc(N)cc([C@H]2CC[N@H+]2Cc2ccc(O)cc2)n1 ZINC000072387552 176392546 /nfs/dbraw/zinc/39/25/46/176392546.db2.gz OXSFWKCWDPXDDU-CQSZACIVSA-N 1 2 270.336 2.020 40 0 CEABLO Cc1ncc(C[N@H+]2C[C@@H]3C(c4ccccc4)=NO[C@@H]3C2)cn1 ZINC000072398492 176396911 /nfs/dbraw/zinc/39/69/11/176396911.db2.gz RPJVEQCKAHAXDC-JKSUJKDBSA-N 1 2 294.358 2.020 40 0 CEABLO Cc1ncc(C[N@@H+]2C[C@@H]3C(c4ccccc4)=NO[C@@H]3C2)cn1 ZINC000072398492 176396912 /nfs/dbraw/zinc/39/69/12/176396912.db2.gz RPJVEQCKAHAXDC-JKSUJKDBSA-N 1 2 294.358 2.020 40 0 CEABLO CC1CC[NH+](c2ccc(-n3cnnc3)cc2N)CC1 ZINC000070461778 276199888 /nfs/dbraw/zinc/19/98/88/276199888.db2.gz KHHXCTVQQIMMTE-UHFFFAOYSA-N 1 2 257.341 2.086 40 0 CEABLO CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2ccoc2)C1 ZINC000306145827 277189349 /nfs/dbraw/zinc/18/93/49/277189349.db2.gz RSYKFTWUACGNCI-NSHDSACASA-N 1 2 252.314 2.161 40 0 CEABLO Cn1c[nH+]c(CN2Cc3nccn3C[C@H]2c2ccccc2)c1 ZINC000257294543 279383807 /nfs/dbraw/zinc/38/38/07/279383807.db2.gz QUQQJPCUJIKBTN-INIZCTEOSA-N 1 2 293.374 2.374 40 0 CEABLO C[C@@H](CO)Nc1cc(N2Cc3ccccc3C[C@@H]2C)nc[nH+]1 ZINC000329017982 136377610 /nfs/dbraw/zinc/37/76/10/136377610.db2.gz NOLGDTYLDCUORG-STQMWFEESA-N 1 2 298.390 2.221 40 0 CEABLO C[C@@H](CO)Nc1cc(N2Cc3ccccc3C[C@@H]2C)[nH+]cn1 ZINC000329017982 136377611 /nfs/dbraw/zinc/37/76/11/136377611.db2.gz NOLGDTYLDCUORG-STQMWFEESA-N 1 2 298.390 2.221 40 0 CEABLO COCCc1nc(N)cc(Nc2ccc(C)cc2)[nH+]1 ZINC000049467688 362364374 /nfs/dbraw/zinc/36/43/74/362364374.db2.gz DDYGHMRBJDTDMO-UHFFFAOYSA-N 1 2 258.325 2.300 40 0 CEABLO COCCc1nc(Nc2ccc(C)cc2)cc(N)[nH+]1 ZINC000049467688 362364379 /nfs/dbraw/zinc/36/43/79/362364379.db2.gz DDYGHMRBJDTDMO-UHFFFAOYSA-N 1 2 258.325 2.300 40 0 CEABLO CCC[N@@H+]1CCc2oc(C(=O)N3CCC[C@H](C)C3)nc2C1 ZINC000585111997 345005751 /nfs/dbraw/zinc/00/57/51/345005751.db2.gz JYQUQFMSVLAZEF-LBPRGKRZSA-N 1 2 291.395 2.315 40 0 CEABLO CCC[N@H+]1CCc2oc(C(=O)N3CCC[C@H](C)C3)nc2C1 ZINC000585111997 345005755 /nfs/dbraw/zinc/00/57/55/345005755.db2.gz JYQUQFMSVLAZEF-LBPRGKRZSA-N 1 2 291.395 2.315 40 0 CEABLO CNc1cc(C2CCN(c3cc(C)ncn3)CC2)[nH+]c(C)n1 ZINC000072364154 363131035 /nfs/dbraw/zinc/13/10/35/363131035.db2.gz IGWQLXMCPYPMEC-UHFFFAOYSA-N 1 2 298.394 2.309 40 0 CEABLO COc1ncc(C[N@@H+]2CCCC[C@H]2c2ccncn2)cn1 ZINC000072386221 363133110 /nfs/dbraw/zinc/13/31/10/363133110.db2.gz BBACPEZVMPZMNQ-AWEZNQCLSA-N 1 2 285.351 2.002 40 0 CEABLO COc1ncc(C[N@H+]2CCCC[C@H]2c2ccncn2)cn1 ZINC000072386221 363133115 /nfs/dbraw/zinc/13/31/15/363133115.db2.gz BBACPEZVMPZMNQ-AWEZNQCLSA-N 1 2 285.351 2.002 40 0 CEABLO CNc1nc(NCc2cccnc2)cc(-c2ccccc2)[nH+]1 ZINC000329002820 202146930 /nfs/dbraw/zinc/14/69/30/202146930.db2.gz KJJLBKBVCDNIGJ-UHFFFAOYSA-N 1 2 291.358 2.036 40 0 CEABLO CCNc1cc(-c2ccccc2)[nH+]c(NC(C)C)n1 ZINC000329020356 202154951 /nfs/dbraw/zinc/15/49/51/202154951.db2.gz OBOHYKVYBFGYBV-UHFFFAOYSA-N 1 2 256.353 2.240 40 0 CEABLO c1cnc(N2CCC[C@]3(CCN(c4cccc[nH+]4)C3)C2)nc1 ZINC000096158253 364402828 /nfs/dbraw/zinc/40/28/28/364402828.db2.gz KAVMNPUAJFBNMH-QGZVFWFLSA-N 1 2 295.390 2.369 40 0 CEABLO COC[C@@H]1c2c(cnn2C)CC[N@H+]1Cc1ccc(F)cc1 ZINC000096197709 364409135 /nfs/dbraw/zinc/40/91/35/364409135.db2.gz FDBWIZHUDSOQOO-OAHLLOKOSA-N 1 2 289.354 2.305 40 0 CEABLO COC[C@@H]1c2c(cnn2C)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000096197709 364409139 /nfs/dbraw/zinc/40/91/39/364409139.db2.gz FDBWIZHUDSOQOO-OAHLLOKOSA-N 1 2 289.354 2.305 40 0 CEABLO CCC(CC)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000096260841 364419119 /nfs/dbraw/zinc/41/91/19/364419119.db2.gz BHDXYSGAWACEFB-UHFFFAOYSA-N 1 2 261.369 2.296 40 0 CEABLO c1csc(C[N@@H+]2CCN3C[C@H](OCC4CC4)C[C@H]3C2)c1 ZINC000253588672 371530379 /nfs/dbraw/zinc/53/03/79/371530379.db2.gz NRAXYOAGABLPCC-LSDHHAIUSA-N 1 2 292.448 2.433 40 0 CEABLO c1csc(C[N@H+]2CCN3C[C@H](OCC4CC4)C[C@H]3C2)c1 ZINC000253588672 371530382 /nfs/dbraw/zinc/53/03/82/371530382.db2.gz NRAXYOAGABLPCC-LSDHHAIUSA-N 1 2 292.448 2.433 40 0 CEABLO CN(C(=O)CC1CC1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257211332 371610044 /nfs/dbraw/zinc/61/00/44/371610044.db2.gz BYMRPKMZQXCREW-CQSZACIVSA-N 1 2 273.380 2.309 40 0 CEABLO Cc1cc([C@@H]2CCCC[N@@H+]2Cc2cc[nH]n2)nc2ccnn21 ZINC000257287790 371611043 /nfs/dbraw/zinc/61/10/43/371611043.db2.gz PRNPLJDQOKZXQA-HNNXBMFYSA-N 1 2 296.378 2.488 40 0 CEABLO Cc1cc([C@@H]2CCCC[N@H+]2Cc2cc[nH]n2)nc2ccnn21 ZINC000257287790 371611047 /nfs/dbraw/zinc/61/10/47/371611047.db2.gz PRNPLJDQOKZXQA-HNNXBMFYSA-N 1 2 296.378 2.488 40 0 CEABLO FC(F)n1ccc(C[NH2+]Cc2ccnn2C(F)F)n1 ZINC000256053788 190004743 /nfs/dbraw/zinc/00/47/43/190004743.db2.gz SWEIAYVFISGDIU-UHFFFAOYSA-N 1 2 277.225 2.160 40 0 CEABLO Cc1c(C[NH2+]Cc2ccn(CCF)n2)cnn1C(C)C ZINC000256050274 190002892 /nfs/dbraw/zinc/00/28/92/190002892.db2.gz DKTXAKUFTAZZGA-UHFFFAOYSA-N 1 2 279.363 2.228 40 0 CEABLO Oc1cccc(C[NH2+]Cc2ccn(CC(F)F)n2)c1 ZINC000256051243 190003945 /nfs/dbraw/zinc/00/39/45/190003945.db2.gz IJGNAIICOCQVTB-UHFFFAOYSA-N 1 2 267.279 2.144 40 0 CEABLO CC[C@@H](C)n1nccc1C[NH2+]Cc1ccn(CCF)n1 ZINC000256055238 190005750 /nfs/dbraw/zinc/00/57/50/190005750.db2.gz ZVVKPIQHTHGMLX-GFCCVEGCSA-N 1 2 279.363 2.310 40 0 CEABLO CCCn1cc(C[N@@H+]2CCC[C@@H](Cc3ccn[nH]3)C2)cn1 ZINC000257208581 190012551 /nfs/dbraw/zinc/01/25/51/190012551.db2.gz BMTJMYIZPJRJCU-AWEZNQCLSA-N 1 2 287.411 2.471 40 0 CEABLO CCCn1cc(C[N@H+]2CCC[C@@H](Cc3ccn[nH]3)C2)cn1 ZINC000257208581 190012552 /nfs/dbraw/zinc/01/25/52/190012552.db2.gz BMTJMYIZPJRJCU-AWEZNQCLSA-N 1 2 287.411 2.471 40 0 CEABLO Fc1ccc(OCC[N@@H+]2CC[C@H](c3ccn[nH]3)C2)cc1 ZINC000257215229 190013407 /nfs/dbraw/zinc/01/34/07/190013407.db2.gz CPFBIBJORCNXFG-LBPRGKRZSA-N 1 2 275.327 2.417 40 0 CEABLO Fc1ccc(OCC[N@H+]2CC[C@H](c3ccn[nH]3)C2)cc1 ZINC000257215229 190013408 /nfs/dbraw/zinc/01/34/08/190013408.db2.gz CPFBIBJORCNXFG-LBPRGKRZSA-N 1 2 275.327 2.417 40 0 CEABLO CNc1cc([C@@H]2CCCN2C(=O)c2cccn2C)cc[nH+]1 ZINC000257253481 190020684 /nfs/dbraw/zinc/02/06/84/190020684.db2.gz JZCCCZWJSBNLTO-ZDUSSCGKSA-N 1 2 284.363 2.439 40 0 CEABLO CNc1cc([C@@H]2CCC[N@@H+]2Cc2nccn2C)ccn1 ZINC000257241482 190018705 /nfs/dbraw/zinc/01/87/05/190018705.db2.gz HYEFHYWMKWISTE-ZDUSSCGKSA-N 1 2 271.368 2.194 40 0 CEABLO CNc1cc([C@@H]2CCC[N@H+]2Cc2nccn2C)ccn1 ZINC000257241482 190018706 /nfs/dbraw/zinc/01/87/06/190018706.db2.gz HYEFHYWMKWISTE-ZDUSSCGKSA-N 1 2 271.368 2.194 40 0 CEABLO CNc1cccc([C@@H]2C[N@H+](Cc3ccccn3)CCO2)n1 ZINC000257327509 190034651 /nfs/dbraw/zinc/03/46/51/190034651.db2.gz XBPRUXVZNIALSN-HNNXBMFYSA-N 1 2 284.363 2.092 40 0 CEABLO CNc1cccc([C@@H]2C[N@@H+](Cc3ccccn3)CCO2)n1 ZINC000257327509 190034652 /nfs/dbraw/zinc/03/46/52/190034652.db2.gz XBPRUXVZNIALSN-HNNXBMFYSA-N 1 2 284.363 2.092 40 0 CEABLO Cc1ccc([C@@]2(O)CCN(c3cc[nH+]c(C)n3)C2)cc1 ZINC000072369057 394598642 /nfs/dbraw/zinc/59/86/42/394598642.db2.gz YKQVOWYYCABZLQ-MRXNPFEDSA-N 1 2 269.348 2.191 40 0 CEABLO CO[C@H]1CCOC2(C[NH+](Cc3ccccc3F)C2)C1 ZINC000247931067 286066468 /nfs/dbraw/zinc/06/64/68/286066468.db2.gz FSHXNFGIBXUDRY-ZDUSSCGKSA-N 1 2 265.328 2.206 40 0 CEABLO CCCn1ccc(C[NH2+]Cc2cn(CC)nc2C)n1 ZINC000020349899 171155425 /nfs/dbraw/zinc/15/54/25/171155425.db2.gz DPLBQXZDVMTEOS-UHFFFAOYSA-N 1 2 261.373 2.108 40 0 CEABLO CC[NH+](CC)Cc1[nH]nc(C)c1I ZINC000072226940 176343191 /nfs/dbraw/zinc/34/31/91/176343191.db2.gz USSYZNVMTBQXNX-UHFFFAOYSA-N 1 2 293.152 2.165 40 0 CEABLO Cc1cc(Nc2nncs2)nc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072359950 176377060 /nfs/dbraw/zinc/37/70/60/176377060.db2.gz ARDVAMPOAUUJNF-JTQLQIEISA-N 1 2 290.396 2.189 40 0 CEABLO Cc1cc(Nc2nncs2)nc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072359950 176377061 /nfs/dbraw/zinc/37/70/61/176377061.db2.gz ARDVAMPOAUUJNF-JTQLQIEISA-N 1 2 290.396 2.189 40 0 CEABLO COc1cc(C)ccc1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000072414385 176398955 /nfs/dbraw/zinc/39/89/55/176398955.db2.gz OVUMRUFGBKVFJP-UHFFFAOYSA-N 1 2 278.333 2.199 40 0 CEABLO CC(C)Nc1cc(-c2ccncc2)[nH+]c(NC(C)C)n1 ZINC000329055494 529114723 /nfs/dbraw/zinc/11/47/23/529114723.db2.gz VOUDEHMKAZZLQU-UHFFFAOYSA-N 1 2 271.368 2.023 40 0 CEABLO CC(C)(C)OC(=O)N1CC[C@@H](Oc2cc(N)cc[nH+]2)C1 ZINC000328579367 627892043 /nfs/dbraw/zinc/89/20/43/627892043.db2.gz CVRJPNFLPXZLJQ-LLVKDONJSA-N 1 2 279.340 2.052 40 0 CEABLO O=S1(=O)C[C@@H]([NH+]2CCCCC2)c2ccccc21 ZINC000063598810 362770902 /nfs/dbraw/zinc/77/09/02/362770902.db2.gz WCNJVWNOKFFXIH-GFCCVEGCSA-N 1 2 251.351 2.001 40 0 CEABLO OC[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000070453074 363083845 /nfs/dbraw/zinc/08/38/45/363083845.db2.gz NKFLLQFNXQVOCO-GFCCVEGCSA-N 1 2 275.270 2.071 40 0 CEABLO CNc1cc(-c2cccnc2)[nH+]c(NC2CCCCC2)n1 ZINC000328968052 202135367 /nfs/dbraw/zinc/13/53/67/202135367.db2.gz CXCFNQWUBUQYHX-UHFFFAOYSA-N 1 2 283.379 2.169 40 0 CEABLO CNc1nc(Nc2ccc(C)c(F)c2)cc(C2CC2)[nH+]1 ZINC000329006851 202149774 /nfs/dbraw/zinc/14/97/74/202149774.db2.gz LHBNHPIFRPTURQ-UHFFFAOYSA-N 1 2 272.327 2.431 40 0 CEABLO COCC(=O)N1CCC(c2[nH+]c(C)n3ccsc23)CC1 ZINC000019240812 361522392 /nfs/dbraw/zinc/52/23/92/361522392.db2.gz QBKUKRUWAUAISF-UHFFFAOYSA-N 1 2 293.392 2.057 40 0 CEABLO c1cnc2[nH]c([C@H]3CCCO3)c(C[NH+]3CCOCC3)c2c1 ZINC000019345201 361527641 /nfs/dbraw/zinc/52/76/41/361527641.db2.gz BFPFISPZPSDTNB-CQSZACIVSA-N 1 2 287.363 2.247 40 0 CEABLO COCCc1c[nH+]c2n1CCN(C(=O)C1=CCCC1)[C@@H]2C ZINC000585097768 367177264 /nfs/dbraw/zinc/17/72/64/367177264.db2.gz OHIDYHJZEVQKFF-GFCCVEGCSA-N 1 2 289.379 2.086 40 0 CEABLO Cc1cc(C)n(C2CCN(c3cc(C)[nH+]cn3)CC2)n1 ZINC000257312895 371612697 /nfs/dbraw/zinc/61/26/97/371612697.db2.gz UQCULTYEIKHFKI-UHFFFAOYSA-N 1 2 271.368 2.440 40 0 CEABLO Cc1csc(C(=O)N2CCOC[C@H]2c2[nH]cc(C)[nH+]2)c1 ZINC000257337652 371613049 /nfs/dbraw/zinc/61/30/49/371613049.db2.gz YTTQGYQIPATQDN-NSHDSACASA-N 1 2 291.376 2.302 40 0 CEABLO CC[C@H](C)n1nccc1C[NH2+]Cc1ccn(CC)n1 ZINC000256054685 190005380 /nfs/dbraw/zinc/00/53/80/190005380.db2.gz XIUFFCCPNJHAAP-LBPRGKRZSA-N 1 2 261.373 2.360 40 0 CEABLO CCn1ccc(C[NH2+]Cc2cn(C(C)C)nc2C)n1 ZINC000256051536 190003845 /nfs/dbraw/zinc/00/38/45/190003845.db2.gz JNQVLBWGSVITJV-UHFFFAOYSA-N 1 2 261.373 2.279 40 0 CEABLO CC(C)Cn1ccc(C[NH2+]Cc2ccnn2C(F)F)n1 ZINC000256052194 190004203 /nfs/dbraw/zinc/00/42/03/190004203.db2.gz MHKJTANDKCKMGG-UHFFFAOYSA-N 1 2 283.326 2.421 40 0 CEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)C=Cc2ccccc2)[nH+]1 ZINC000257204535 190011622 /nfs/dbraw/zinc/01/16/22/190011622.db2.gz AVBKZKHHOIOEFP-MVGZEHJDSA-N 1 2 297.358 2.331 40 0 CEABLO O=C(CCn1cc[nH+]c1)N1CCC(Cc2ccncc2)CC1 ZINC000257230837 190016050 /nfs/dbraw/zinc/01/60/50/190016050.db2.gz GEDAVRQIYWNZAB-UHFFFAOYSA-N 1 2 298.390 2.150 40 0 CEABLO CN(C)c1cccc([C@H]2C[N@H+](Cc3ccccn3)CCO2)n1 ZINC000257231695 190016490 /nfs/dbraw/zinc/01/64/90/190016490.db2.gz GHWLHQDJWIEIOR-MRXNPFEDSA-N 1 2 298.390 2.116 40 0 CEABLO CN(C)c1cccc([C@H]2C[N@@H+](Cc3ccccn3)CCO2)n1 ZINC000257231695 190016491 /nfs/dbraw/zinc/01/64/91/190016491.db2.gz GHWLHQDJWIEIOR-MRXNPFEDSA-N 1 2 298.390 2.116 40 0 CEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3cnc(C4CC4)nc3)C2)[nH+]1 ZINC000257247390 190019504 /nfs/dbraw/zinc/01/95/04/190019504.db2.gz IYVLGUBANSRVNL-GFCCVEGCSA-N 1 2 297.362 2.015 40 0 CEABLO CNc1ncc(C[N@@H+]2CCCC[C@@H]2c2ccncn2)cn1 ZINC000257263642 190022719 /nfs/dbraw/zinc/02/27/19/190022719.db2.gz LQVGHTUEGFSVBK-CQSZACIVSA-N 1 2 284.367 2.036 40 0 CEABLO CNc1ncc(C[N@H+]2CCCC[C@@H]2c2ccncn2)cn1 ZINC000257263642 190022720 /nfs/dbraw/zinc/02/27/20/190022720.db2.gz LQVGHTUEGFSVBK-CQSZACIVSA-N 1 2 284.367 2.036 40 0 CEABLO CC(=O)N1CC[N@H+](Cc2ccncc2)[C@H](c2ccccc2)C1 ZINC000257313508 190031628 /nfs/dbraw/zinc/03/16/28/190031628.db2.gz USWMRFRJBAZKPB-SFHVURJKSA-N 1 2 295.386 2.487 40 0 CEABLO CC(=O)N1CC[N@@H+](Cc2ccncc2)[C@H](c2ccccc2)C1 ZINC000257313508 190031629 /nfs/dbraw/zinc/03/16/29/190031629.db2.gz USWMRFRJBAZKPB-SFHVURJKSA-N 1 2 295.386 2.487 40 0 CEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3ccsc3)C2)[nH+]1 ZINC000257291756 190027852 /nfs/dbraw/zinc/02/78/52/190027852.db2.gz QIMAOEKVDKMGTA-LLVKDONJSA-N 1 2 275.377 2.420 40 0 CEABLO O=CN1CCC[C@H]1c1ccc(N2CCCCC2)[nH+]c1 ZINC000072216029 394593376 /nfs/dbraw/zinc/59/33/76/394593376.db2.gz NYDVQUPJQSQTRE-AWEZNQCLSA-N 1 2 259.353 2.365 40 0 CEABLO CC(C)(C)c1coc([C@@H]2COCCN2Cc2c[nH+]c[nH]2)n1 ZINC000072322170 176369126 /nfs/dbraw/zinc/36/91/26/176369126.db2.gz GLXYKQOXEAVCFD-LBPRGKRZSA-N 1 2 290.367 2.269 40 0 biogenic,in-vitro CEABLO CC(C)(C)c1coc([C@@H]2COCCN2Cc2c[nH]c[nH+]2)n1 ZINC000072322170 176369127 /nfs/dbraw/zinc/36/91/27/176369127.db2.gz GLXYKQOXEAVCFD-LBPRGKRZSA-N 1 2 290.367 2.269 40 0 biogenic,in-vitro CEABLO Cc1nnc(Nc2cc([C@H]3CCC[N@H+]3C)nc(C)n2)s1 ZINC000072360122 176376797 /nfs/dbraw/zinc/37/67/97/176376797.db2.gz APJBNXKDIUQQEQ-LLVKDONJSA-N 1 2 290.396 2.455 40 0 CEABLO Cc1nnc(Nc2cc([C@H]3CCC[N@@H+]3C)nc(C)n2)s1 ZINC000072360122 176376799 /nfs/dbraw/zinc/37/67/99/176376799.db2.gz 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/nfs/dbraw/zinc/00/71/23/185007123.db2.gz VIFXVZRNRCQNTO-CYBMUJFWSA-N 1 2 265.320 2.223 40 0 CEABLO CCOC[C@H]1C[N@H+](Cc2ccc(C)o2)Cc2ncn(C)c21 ZINC000096060209 185080936 /nfs/dbraw/zinc/08/09/36/185080936.db2.gz HIDCJFDOQASLTO-CYBMUJFWSA-N 1 2 289.379 2.457 40 0 CEABLO CCOC[C@H]1C[N@@H+](Cc2ccc(C)o2)Cc2ncn(C)c21 ZINC000096060209 185080937 /nfs/dbraw/zinc/08/09/37/185080937.db2.gz HIDCJFDOQASLTO-CYBMUJFWSA-N 1 2 289.379 2.457 40 0 CEABLO CCOC[C@H]1CN(Cc2ccc(C)o2)Cc2[nH+]cn(C)c21 ZINC000096060209 185080940 /nfs/dbraw/zinc/08/09/40/185080940.db2.gz HIDCJFDOQASLTO-CYBMUJFWSA-N 1 2 289.379 2.457 40 0 CEABLO O=C1Nc2ccccc2O[C@H]2C[C@@H]1[N@H+](Cc1cccnc1)C2 ZINC000096111770 185100986 /nfs/dbraw/zinc/10/09/86/185100986.db2.gz SLQSJKILDXMJES-ZFWWWQNUSA-N 1 2 295.342 2.056 40 0 biogenic,in-vitro CEABLO O=C1Nc2ccccc2O[C@H]2C[C@@H]1[N@@H+](Cc1cccnc1)C2 ZINC000096111770 185100987 /nfs/dbraw/zinc/10/09/87/185100987.db2.gz SLQSJKILDXMJES-ZFWWWQNUSA-N 1 2 295.342 2.056 40 0 biogenic,in-vitro CEABLO CNc1cccc(CC[C@H]2CCCCN2C(C)=O)[nH+]1 ZINC000585177164 345009112 /nfs/dbraw/zinc/00/91/12/345009112.db2.gz RJXDKPYYPYDDIN-CQSZACIVSA-N 1 2 261.369 2.457 40 0 CEABLO O=C(c1cncnc1)N1CCC[C@@H]1c1cccc2[nH+]ccn21 ZINC000585178899 345009476 /nfs/dbraw/zinc/00/94/76/345009476.db2.gz IDQCHQDIBMDJGT-CQSZACIVSA-N 1 2 293.330 2.102 40 0 CEABLO CO[C@H]1C[N@H+](Cc2ncc[nH]2)CC[C@@H]1Cc1ccccc1 ZINC000585279613 345009935 /nfs/dbraw/zinc/00/99/35/345009935.db2.gz WFESANTXASFADW-CVEARBPZSA-N 1 2 285.391 2.489 40 0 CEABLO CO[C@H]1C[N@@H+](Cc2ncc[nH]2)CC[C@@H]1Cc1ccccc1 ZINC000585279613 345009936 /nfs/dbraw/zinc/00/99/36/345009936.db2.gz WFESANTXASFADW-CVEARBPZSA-N 1 2 285.391 2.489 40 0 CEABLO Cc1ccccc1OC[C@]1(O)CCN(c2cc[nH+]c(C)n2)C1 ZINC000585275039 345009987 /nfs/dbraw/zinc/00/99/87/345009987.db2.gz UPYKYSXZIQPRCS-KRWDZBQOSA-N 1 2 299.374 2.114 40 0 CEABLO C[NH+](C)C1(Cc2cc(COc3ccccc3)on2)COC1 ZINC000067898163 362930309 /nfs/dbraw/zinc/93/03/09/362930309.db2.gz TUJUBZSUTQZGHX-UHFFFAOYSA-N 1 2 288.347 2.127 40 0 biogenic,in-vitro CEABLO Clc1ccc(-c2c[nH]c([C@@H]3COCC[NH2+]3)n2)cc1 ZINC000067898526 362931504 /nfs/dbraw/zinc/93/15/04/362931504.db2.gz NQDFVPNLDJRPBO-LBPRGKRZSA-N 1 2 263.728 2.391 40 0 biogenic,in-vitro CEABLO CC(C)C(=O)N1C[C@H]2[C@H](C[N@@H+]2Cc2cccc(F)c2)C1 ZINC000107816111 186192686 /nfs/dbraw/zinc/19/26/86/186192686.db2.gz YLFZEFXBYIFKLD-HIFRSBDPSA-N 1 2 276.355 2.124 40 0 CEABLO CC(C)C(=O)N1C[C@H]2[C@H](C[N@H+]2Cc2cccc(F)c2)C1 ZINC000107816111 186192688 /nfs/dbraw/zinc/19/26/88/186192688.db2.gz YLFZEFXBYIFKLD-HIFRSBDPSA-N 1 2 276.355 2.124 40 0 CEABLO CC[N@H+](Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000070980293 363106222 /nfs/dbraw/zinc/10/62/22/363106222.db2.gz UNGXLULZZZDOJS-LBPRGKRZSA-N 1 2 287.812 2.349 40 0 CEABLO CC[N@@H+](Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000070980293 363106225 /nfs/dbraw/zinc/10/62/25/363106225.db2.gz UNGXLULZZZDOJS-LBPRGKRZSA-N 1 2 287.812 2.349 40 0 CEABLO COc1ccc(C[NH+]2CC3(C2)C[C@@H](OC)CCO3)cc1 ZINC000247898747 371145214 /nfs/dbraw/zinc/14/52/14/371145214.db2.gz PUPSVJWFJHOZAU-HNNXBMFYSA-N 1 2 277.364 2.075 40 0 CEABLO Cc1c[nH]c([C@H]2COCCN2Cc2scnc2C)[nH+]1 ZINC000257336093 291619448 /nfs/dbraw/zinc/61/94/48/291619448.db2.gz YNCPXKACWKCGGK-LLVKDONJSA-N 1 2 278.381 2.057 40 0 CEABLO Cc1nc([C@H]2COCC[N@@H+]2CCc2ccccc2)cc(=O)[nH]1 ZINC000257205270 190011526 /nfs/dbraw/zinc/01/15/26/190011526.db2.gz AYHZQSAANUCHRQ-MRXNPFEDSA-N 1 2 299.374 2.107 40 0 CEABLO Cc1nc([C@H]2COCC[N@H+]2CCc2ccccc2)cc(=O)[nH]1 ZINC000257205270 190011527 /nfs/dbraw/zinc/01/15/27/190011527.db2.gz AYHZQSAANUCHRQ-MRXNPFEDSA-N 1 2 299.374 2.107 40 0 CEABLO Cc1nc(C[NH+]2CC3(C2)CO[C@@H](Cc2cccnc2)C3)co1 ZINC000257206396 190011902 /nfs/dbraw/zinc/01/19/02/190011902.db2.gz BDFGXUHVQVJCCX-INIZCTEOSA-N 1 2 299.374 2.212 40 0 CEABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cncs3)C2)[nH+]1 ZINC000257210134 190012665 /nfs/dbraw/zinc/01/26/65/190012665.db2.gz BTHKXROEXAYUST-NSHDSACASA-N 1 2 290.392 2.205 40 0 CEABLO Cc1cnccc1C[N@@H+]1CCO[C@@H](c2ccnc(C)n2)C1 ZINC000257249234 190019765 /nfs/dbraw/zinc/01/97/65/190019765.db2.gz JHJPIQNFVYQSKF-MRXNPFEDSA-N 1 2 284.363 2.062 40 0 CEABLO Cc1cnccc1C[N@H+]1CCO[C@@H](c2ccnc(C)n2)C1 ZINC000257249234 190019766 /nfs/dbraw/zinc/01/97/66/190019766.db2.gz JHJPIQNFVYQSKF-MRXNPFEDSA-N 1 2 284.363 2.062 40 0 CEABLO Cc1cnccc1C[N@@H+]1CCO[C@H](c2ccnc(C)n2)C1 ZINC000257249233 190019856 /nfs/dbraw/zinc/01/98/56/190019856.db2.gz JHJPIQNFVYQSKF-INIZCTEOSA-N 1 2 284.363 2.062 40 0 CEABLO Cc1cnccc1C[N@H+]1CCO[C@H](c2ccnc(C)n2)C1 ZINC000257249233 190019857 /nfs/dbraw/zinc/01/98/57/190019857.db2.gz JHJPIQNFVYQSKF-INIZCTEOSA-N 1 2 284.363 2.062 40 0 CEABLO CN(C)C(=O)[C@]1(C)C[N@H+](Cc2cccc(Cl)c2)CCO1 ZINC000257281032 190026533 /nfs/dbraw/zinc/02/65/33/190026533.db2.gz ONJBNOJVHGYFEM-HNNXBMFYSA-N 1 2 296.798 2.019 40 0 CEABLO CN(C)C(=O)[C@]1(C)C[N@@H+](Cc2cccc(Cl)c2)CCO1 ZINC000257281032 190026534 /nfs/dbraw/zinc/02/65/34/190026534.db2.gz ONJBNOJVHGYFEM-HNNXBMFYSA-N 1 2 296.798 2.019 40 0 CEABLO Cn1cc(C[N@@H+]2CCn3c(-c4cccs4)cnc3C2)cn1 ZINC000306140801 376540849 /nfs/dbraw/zinc/54/08/49/376540849.db2.gz VEKDXMVIOQXSIT-UHFFFAOYSA-N 1 2 299.403 2.361 40 0 CEABLO Cn1cc(C[N@H+]2CCn3c(-c4cccs4)cnc3C2)cn1 ZINC000306140801 376540857 /nfs/dbraw/zinc/54/08/57/376540857.db2.gz VEKDXMVIOQXSIT-UHFFFAOYSA-N 1 2 299.403 2.361 40 0 CEABLO CC(C)(C)OC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000039954254 174177582 /nfs/dbraw/zinc/17/75/82/174177582.db2.gz CXYWGSMCYRHYSR-UHFFFAOYSA-N 1 2 250.298 2.080 40 0 CEABLO CC(C)[C@@H]1c2cccn2CCN1Cc1[nH+]ccn1C ZINC000072368032 176382463 /nfs/dbraw/zinc/38/24/63/176382463.db2.gz KZCBCFADKXPEHR-OAHLLOKOSA-N 1 2 258.369 2.435 40 0 CEABLO [NH3+][C@@H](c1nc([C@@H]2CCCO2)n[nH]1)c1ccc(Cl)cc1 ZINC000095534021 185005575 /nfs/dbraw/zinc/00/55/75/185005575.db2.gz UCZQDFONDINEBA-WDEREUQCSA-N 1 2 278.743 2.358 40 0 CEABLO CCOC[C@@H]1C[N@H+](Cc2ccc(C)o2)Cc2nn(C)cc21 ZINC000096060380 185080784 /nfs/dbraw/zinc/08/07/84/185080784.db2.gz REGQKMRPZGVPFW-ZDUSSCGKSA-N 1 2 289.379 2.457 40 0 CEABLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C)o2)Cc2nn(C)cc21 ZINC000096060380 185080785 /nfs/dbraw/zinc/08/07/85/185080785.db2.gz REGQKMRPZGVPFW-ZDUSSCGKSA-N 1 2 289.379 2.457 40 0 CEABLO CC(=O)Oc1cc(C)c(C[NH+]2CCOCC2)cc1C ZINC000036627491 361848995 /nfs/dbraw/zinc/84/89/95/361848995.db2.gz DOJLFRCTODDMQG-UHFFFAOYSA-N 1 2 263.337 2.061 40 0 CEABLO C[N@@H+]1CCO[C@H](COc2ccccc2Br)C1 ZINC000092056785 180314552 /nfs/dbraw/zinc/31/45/52/180314552.db2.gz POJIMVQKFORQPG-JTQLQIEISA-N 1 2 286.169 2.159 40 0 CEABLO C[N@H+]1CCO[C@H](COc2ccccc2Br)C1 ZINC000092056785 180314553 /nfs/dbraw/zinc/31/45/53/180314553.db2.gz POJIMVQKFORQPG-JTQLQIEISA-N 1 2 286.169 2.159 40 0 CEABLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)C1CCCC1 ZINC000131210372 366031451 /nfs/dbraw/zinc/03/14/51/366031451.db2.gz KKISIDOUNKZUQD-CQSZACIVSA-N 1 2 273.380 2.357 40 0 CEABLO CNc1nc(Nc2cccc(F)c2F)cc(C2CC2)[nH+]1 ZINC000329023908 202157036 /nfs/dbraw/zinc/15/70/36/202157036.db2.gz OWFXHIVLWDMECE-UHFFFAOYSA-N 1 2 276.290 2.261 40 0 CEABLO C[C@@H]1C[N@@H+](Cc2ccnc(-c3ccncc3)n2)C[C@H](C)O1 ZINC000019497558 361538690 /nfs/dbraw/zinc/53/86/90/361538690.db2.gz GESQJDNJSKCVEJ-BETUJISGSA-N 1 2 284.363 2.148 40 0 CEABLO C[C@@H]1C[N@H+](Cc2ccnc(-c3ccncc3)n2)C[C@H](C)O1 ZINC000019497558 361538692 /nfs/dbraw/zinc/53/86/92/361538692.db2.gz GESQJDNJSKCVEJ-BETUJISGSA-N 1 2 284.363 2.148 40 0 CEABLO COCC[C@H]1CCOC12C[NH+](Cc1ccccc1F)C2 ZINC000247833684 371144288 /nfs/dbraw/zinc/14/42/88/371144288.db2.gz IIPWQVTUMUEODE-AWEZNQCLSA-N 1 2 279.355 2.453 40 0 CEABLO CCO[C@H]1CSC2(C[NH+](Cc3cc(C)on3)C2)C1 ZINC000247881530 371145032 /nfs/dbraw/zinc/14/50/32/371145032.db2.gz CDEXGSILFVXCKV-GFCCVEGCSA-N 1 2 268.382 2.079 40 0 CEABLO CCOCC[C@H]1CCOC2(C[NH+](Cc3ccncc3)C2)C1 ZINC000253386864 371513591 /nfs/dbraw/zinc/51/35/91/371513591.db2.gz YHHWBBIEJPRKCF-HNNXBMFYSA-N 1 2 290.407 2.489 40 0 CEABLO O=C(c1ccc(Cl)cc1)N1CCCN2CCC[NH+]=C21 ZINC000016400827 296208644 /nfs/dbraw/zinc/20/86/44/296208644.db2.gz HNMXHLNUERQTMR-UHFFFAOYSA-N 1 2 277.755 2.248 40 0 CEABLO CCCn1cc(C[NH2+]Cc2ccn(CCF)n2)c(C)n1 ZINC000256053771 190004955 /nfs/dbraw/zinc/00/49/55/190004955.db2.gz STWNGIDMZZFWQM-UHFFFAOYSA-N 1 2 279.363 2.057 40 0 CEABLO CCn1ccc(C[NH2+]Cc2cc(C(C)C)nn2C)n1 ZINC000256049858 190003394 /nfs/dbraw/zinc/00/33/94/190003394.db2.gz BTIPKRJUHPFTDI-UHFFFAOYSA-N 1 2 261.373 2.050 40 0 CEABLO CCCn1nc(C)cc1C[NH2+]Cc1ccn(CCF)n1 ZINC000256052098 190004253 /nfs/dbraw/zinc/00/42/53/190004253.db2.gz LXKMTMLDBPKMOT-UHFFFAOYSA-N 1 2 279.363 2.057 40 0 CEABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2cnc(C3CC3)nc2)[nH+]1 ZINC000257202924 190010542 /nfs/dbraw/zinc/01/05/42/190010542.db2.gz ANXARJMLDJMZQN-CYBMUJFWSA-N 1 2 297.362 2.363 40 0 CEABLO CC(=O)N1CC[N@H+](Cc2ccccn2)C[C@@H]1c1ccccc1 ZINC000257221060 190014691 /nfs/dbraw/zinc/01/46/91/190014691.db2.gz DNIJNVGXIGZDGG-GOSISDBHSA-N 1 2 295.386 2.487 40 0 CEABLO CC(=O)N1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1ccccc1 ZINC000257221060 190014692 /nfs/dbraw/zinc/01/46/92/190014692.db2.gz DNIJNVGXIGZDGG-GOSISDBHSA-N 1 2 295.386 2.487 40 0 CEABLO CCc1nnsc1C(=O)N1CCC[C@@H]1c1[nH]cc(C)[nH+]1 ZINC000257240121 190018798 /nfs/dbraw/zinc/01/87/98/190018798.db2.gz HSDKLPFROIASFO-SNVBAGLBSA-N 1 2 291.380 2.109 40 0 CEABLO CC(=O)N1CC[N@H+](Cc2cccnc2)C[C@@H]1c1ccccc1 ZINC000257269634 190024351 /nfs/dbraw/zinc/02/43/51/190024351.db2.gz MQSXTIMYLBMRQI-GOSISDBHSA-N 1 2 295.386 2.487 40 0 CEABLO CC(=O)N1CC[N@@H+](Cc2cccnc2)C[C@@H]1c1ccccc1 ZINC000257269634 190024352 /nfs/dbraw/zinc/02/43/52/190024352.db2.gz MQSXTIMYLBMRQI-GOSISDBHSA-N 1 2 295.386 2.487 40 0 CEABLO Nc1cccc([C@H]2C[N@H+](Cc3ccsc3)CCO2)n1 ZINC000257320683 190033250 /nfs/dbraw/zinc/03/32/50/190033250.db2.gz VYAPRAIDSXSVRK-CYBMUJFWSA-N 1 2 275.377 2.299 40 0 CEABLO Nc1cccc([C@H]2C[N@@H+](Cc3ccsc3)CCO2)n1 ZINC000257320683 190033251 /nfs/dbraw/zinc/03/32/51/190033251.db2.gz VYAPRAIDSXSVRK-CYBMUJFWSA-N 1 2 275.377 2.299 40 0 CEABLO O=C(c1cccc(F)c1)N1C[C@@H]2CCCC[NH2+][C@@H]2C1 ZINC000257325968 190033954 /nfs/dbraw/zinc/03/39/54/190033954.db2.gz 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/nfs/dbraw/zinc/06/62/49/170066249.db2.gz JLGRDBIVWOHDEA-GFCCVEGCSA-N 1 2 273.373 2.171 40 0 CEABLO Nc1nc(N)[nH+]c(CC(c2ccccc2)c2ccccc2)n1 ZINC000006864029 170251328 /nfs/dbraw/zinc/25/13/28/170251328.db2.gz FYTSMTWCFFENLY-UHFFFAOYSA-N 1 2 291.358 2.411 40 0 CEABLO COc1ccc(C(C)C)cc1C(=O)N1CC[NH+](C)CC1 ZINC000072206488 176342562 /nfs/dbraw/zinc/34/25/62/176342562.db2.gz OISDBIZAHIUCNS-UHFFFAOYSA-N 1 2 276.380 2.206 40 0 CEABLO CNc1cccc([C@H]2CCCN(C(=O)c3cnco3)C2)[nH+]1 ZINC000072364611 176379533 /nfs/dbraw/zinc/37/95/33/176379533.db2.gz MEBUFXBXEGKWIE-NSHDSACASA-N 1 2 286.335 2.131 40 0 CEABLO CNc1ncccc1C[N@@H+]1CCO[C@@H](c2ccc(C)cn2)C1 ZINC000072386201 176391317 /nfs/dbraw/zinc/39/13/17/176391317.db2.gz VOZBBUOOJIMVPC-MRXNPFEDSA-N 1 2 298.390 2.400 40 0 CEABLO CNc1ncccc1C[N@H+]1CCO[C@@H](c2ccc(C)cn2)C1 ZINC000072386201 176391319 /nfs/dbraw/zinc/39/13/19/176391319.db2.gz VOZBBUOOJIMVPC-MRXNPFEDSA-N 1 2 298.390 2.400 40 0 CEABLO CC(C)(C)OC(=O)N1CC[C@H](Oc2cc(N)cc[nH+]2)C1 ZINC000328579368 627892166 /nfs/dbraw/zinc/89/21/66/627892166.db2.gz CVRJPNFLPXZLJQ-NSHDSACASA-N 1 2 279.340 2.052 40 0 CEABLO COc1cccc([C@H]([NH3+])c2nnc(-c3ccc(O)cc3)[nH]2)c1 ZINC000095533532 185005757 /nfs/dbraw/zinc/00/57/57/185005757.db2.gz NVNHIOCRCTYVQR-AWEZNQCLSA-N 1 2 296.330 2.234 40 0 CEABLO COc1cccc([C@H]([NH3+])c2nc(-c3ccc(O)cc3)n[nH]2)c1 ZINC000095533532 185005758 /nfs/dbraw/zinc/00/57/58/185005758.db2.gz NVNHIOCRCTYVQR-AWEZNQCLSA-N 1 2 296.330 2.234 40 0 CEABLO CCCC(=O)N1Cc2[nH+]cn(CC3CC3)c2[C@H](COC)C1 ZINC000096045104 185071559 /nfs/dbraw/zinc/07/15/59/185071559.db2.gz VFEMMFAPOCGHFX-ZDUSSCGKSA-N 1 2 291.395 2.165 40 0 CEABLO COC[C@@H]1CCC[C@@]12C[N@H+](Cc1nccs1)CCO2 ZINC000096051840 185073790 /nfs/dbraw/zinc/07/37/90/185073790.db2.gz DZXYIVXRJRIKSI-GXTWGEPZSA-N 1 2 282.409 2.161 40 0 CEABLO COC[C@@H]1CCC[C@@]12C[N@@H+](Cc1nccs1)CCO2 ZINC000096051840 185073792 /nfs/dbraw/zinc/07/37/92/185073792.db2.gz DZXYIVXRJRIKSI-GXTWGEPZSA-N 1 2 282.409 2.161 40 0 CEABLO c1coc(C[N@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)c1 ZINC000096065776 185083593 /nfs/dbraw/zinc/08/35/93/185083593.db2.gz UBIFZTWCQXEPKP-ARFHVFGLSA-N 1 2 277.364 2.438 40 0 CEABLO c1coc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)c1 ZINC000096065776 185083594 /nfs/dbraw/zinc/08/35/94/185083594.db2.gz UBIFZTWCQXEPKP-ARFHVFGLSA-N 1 2 277.364 2.438 40 0 CEABLO Cc1ccc(C)c(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000047465594 362209297 /nfs/dbraw/zinc/20/92/97/362209297.db2.gz NMWZDIBTDVHNON-UHFFFAOYSA-N 1 2 257.337 2.320 40 0 CEABLO COC(=O)C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000050886513 362423089 /nfs/dbraw/zinc/42/30/89/362423089.db2.gz HFDDCGGRWZFHHQ-UHFFFAOYSA-N 1 2 269.291 2.350 40 0 CEABLO Cc1cc(N2CCC[C@](O)(COc3ccccc3)C2)nc[nH+]1 ZINC000585274857 345010171 /nfs/dbraw/zinc/01/01/71/345010171.db2.gz POAZFEBNAPELPN-QGZVFWFLSA-N 1 2 299.374 2.195 40 0 CEABLO Cc1cc(N2CCC(c3ncncc3C)CC2)nc[nH+]1 ZINC000072385537 363133268 /nfs/dbraw/zinc/13/32/68/363133268.db2.gz RSDQXEHVWZBTGA-UHFFFAOYSA-N 1 2 269.352 2.267 40 0 CEABLO CCC[C@@H](C(=O)OC)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000022538723 361587934 /nfs/dbraw/zinc/58/79/34/361587934.db2.gz ZPQYZQLDLCBXJO-HNNXBMFYSA-N 1 2 294.370 2.289 40 0 CEABLO Cc1ccc(CN2CCn3c(Cn4cccn4)c[nH+]c3C2)o1 ZINC000096201093 364411580 /nfs/dbraw/zinc/41/15/80/364411580.db2.gz QZQWTFRFSZQEFJ-UHFFFAOYSA-N 1 2 297.362 2.045 40 0 CEABLO c1csc(C[N@H+]2CC[C@@H](OCC3CC3)[C@H]3OCC[C@@H]32)n1 ZINC000096220396 364414134 /nfs/dbraw/zinc/41/41/34/364414134.db2.gz BVDIFAGKUGHTQM-GUTXKFCHSA-N 1 2 294.420 2.302 40 0 CEABLO c1csc(C[N@@H+]2CC[C@@H](OCC3CC3)[C@H]3OCC[C@@H]32)n1 ZINC000096220396 364414138 /nfs/dbraw/zinc/41/41/38/364414138.db2.gz BVDIFAGKUGHTQM-GUTXKFCHSA-N 1 2 294.420 2.302 40 0 CEABLO CCOC[C@@H]1c2c([nH+]cn2C(C)C)CCN1C(=O)CC ZINC000096260294 364418488 /nfs/dbraw/zinc/41/84/88/364418488.db2.gz XEOYXQRTSORVLM-CYBMUJFWSA-N 1 2 279.384 2.336 40 0 CEABLO COC(=O)[C@@]1([NH3+])C[C@H]1c1cccc(Cl)c1Cl ZINC000216591734 370190292 /nfs/dbraw/zinc/19/02/92/370190292.db2.gz ULRGXNRLAKXGDA-WRWORJQWSA-N 1 2 260.120 2.351 40 0 CEABLO CCO[C@@H]1CCOC2(C[NH+](Cc3ccccc3OC)C2)C1 ZINC000248129104 371163226 /nfs/dbraw/zinc/16/32/26/371163226.db2.gz JNXAVTWQNCSKQN-OAHLLOKOSA-N 1 2 291.391 2.465 40 0 CEABLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000257238720 371609556 /nfs/dbraw/zinc/60/95/56/371609556.db2.gz HMGFZCDPEFXFPP-OAHLLOKOSA-N 1 2 281.359 2.480 40 0 CEABLO CN(C)C(=O)c1cnc([C@H]2CCCC[N@@H+]2C)s1 ZINC000257214278 190012737 /nfs/dbraw/zinc/01/27/37/190012737.db2.gz CLJPFNHWMWCVSE-SECBINFHSA-N 1 2 253.371 2.002 40 0 CEABLO CN(C)C(=O)c1cnc([C@H]2CCCC[N@H+]2C)s1 ZINC000257214278 190012738 /nfs/dbraw/zinc/01/27/38/190012738.db2.gz CLJPFNHWMWCVSE-SECBINFHSA-N 1 2 253.371 2.002 40 0 CEABLO CNc1cccc([C@H]2C[N@H+](Cc3cccc(C)n3)CCO2)n1 ZINC000257254303 190020850 /nfs/dbraw/zinc/02/08/50/190020850.db2.gz KCNIBBYAMZCLDK-MRXNPFEDSA-N 1 2 298.390 2.400 40 0 CEABLO CNc1cccc([C@H]2C[N@@H+](Cc3cccc(C)n3)CCO2)n1 ZINC000257254303 190020851 /nfs/dbraw/zinc/02/08/51/190020851.db2.gz KCNIBBYAMZCLDK-MRXNPFEDSA-N 1 2 298.390 2.400 40 0 CEABLO COCC(=O)N1CCCC[C@@H]1c1[nH+]c(C)n2ccsc12 ZINC000257242651 190018407 /nfs/dbraw/zinc/01/84/07/190018407.db2.gz IDMHBVLOEKMILR-LLVKDONJSA-N 1 2 293.392 2.404 40 0 CEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3scnc3C)C2)[nH+]1 ZINC000257241206 190018420 /nfs/dbraw/zinc/01/84/20/190018420.db2.gz HXCMJKJLLRAGKM-LLVKDONJSA-N 1 2 290.392 2.123 40 0 CEABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3cccc(C)n3)C2)[nH+]1 ZINC000257252545 190020437 /nfs/dbraw/zinc/02/04/37/190020437.db2.gz JVDZCSMWVIYVLU-ZDUSSCGKSA-N 1 2 284.363 2.441 40 0 CEABLO Fc1cccc(C[C@H]2COCC[N@H+](Cc3ncc[nH]3)C2)c1 ZINC000257279170 190025344 /nfs/dbraw/zinc/02/53/44/190025344.db2.gz OFILTXSTJTVWNX-CQSZACIVSA-N 1 2 289.354 2.240 40 0 CEABLO Fc1cccc(C[C@H]2COCC[N@@H+](Cc3ncc[nH]3)C2)c1 ZINC000257279170 190025345 /nfs/dbraw/zinc/02/53/45/190025345.db2.gz OFILTXSTJTVWNX-CQSZACIVSA-N 1 2 289.354 2.240 40 0 CEABLO CC(=O)N1CC[N@H+](Cc2[nH]cnc2C)C[C@H]1c1ccccc1 ZINC000257342618 190037117 /nfs/dbraw/zinc/03/71/17/190037117.db2.gz ZPLMMDFEPBEFNM-KRWDZBQOSA-N 1 2 298.390 2.124 40 0 CEABLO CC(=O)N1CC[N@@H+](Cc2[nH]cnc2C)C[C@H]1c1ccccc1 ZINC000257342618 190037118 /nfs/dbraw/zinc/03/71/18/190037118.db2.gz ZPLMMDFEPBEFNM-KRWDZBQOSA-N 1 2 298.390 2.124 40 0 CEABLO CNc1cc([C@@H]2CCCN2c2cc(C)[nH+]cn2)nc(C)n1 ZINC000257342468 190037334 /nfs/dbraw/zinc/03/73/34/190037334.db2.gz ZOTDAUGIGUBSJG-ZDUSSCGKSA-N 1 2 284.367 2.267 40 0 CEABLO COC(=O)[C@]1([NH3+])C[C@@H]1c1cccc(Cl)c1Cl ZINC000216591691 130758115 /nfs/dbraw/zinc/75/81/15/130758115.db2.gz ULRGXNRLAKXGDA-HQJQHLMTSA-N 1 2 260.120 2.351 40 0 CEABLO CC(C)(C)OC(=O)N1CCC[C@@H]1COc1cc[nH+]cc1N ZINC000242495490 394495863 /nfs/dbraw/zinc/49/58/63/394495863.db2.gz GFKOIALCWVPSTG-LLVKDONJSA-N 1 2 293.367 2.442 40 0 CEABLO O=CN1CCC[C@H]1c1ccc[nH+]c1N1CCCCC1 ZINC000072216089 394593167 /nfs/dbraw/zinc/59/31/67/394593167.db2.gz HBMWYUALLAZGSC-AWEZNQCLSA-N 1 2 259.353 2.365 40 0 CEABLO Nc1nc(Cl)c2c(n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000035270015 172091871 /nfs/dbraw/zinc/09/18/71/172091871.db2.gz SARXNIGUYDNRMJ-UHFFFAOYSA-N 1 2 274.755 2.271 40 0 CEABLO Nc1nc(Cl)c2c(n1)C[N@H+](Cc1ccccc1)CC2 ZINC000035270015 172091875 /nfs/dbraw/zinc/09/18/75/172091875.db2.gz SARXNIGUYDNRMJ-UHFFFAOYSA-N 1 2 274.755 2.271 40 0 CEABLO Cc1ccc(Cc2cc([C@H]3COCC[NH2+]3)nc(C)n2)cc1 ZINC000072366346 176381265 /nfs/dbraw/zinc/38/12/65/176381265.db2.gz MNHKSYCQAKJAES-QGZVFWFLSA-N 1 2 283.375 2.345 40 0 CEABLO C[C@@H]1CCc2nc(NC(=O)CCn3cc[nH+]c3)sc2C1 ZINC000019497187 277807346 /nfs/dbraw/zinc/80/73/46/277807346.db2.gz DFAMVWHIQZPXLS-SNVBAGLBSA-N 1 2 290.392 2.493 40 0 CEABLO CO[C@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccccc1F ZINC000096041937 185070732 /nfs/dbraw/zinc/07/07/32/185070732.db2.gz WFJDTWJARWYKSJ-SOUVJXGZSA-N 1 2 265.328 2.204 40 0 CEABLO CO[C@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccccc1F ZINC000096041937 185070734 /nfs/dbraw/zinc/07/07/34/185070734.db2.gz WFJDTWJARWYKSJ-SOUVJXGZSA-N 1 2 265.328 2.204 40 0 CEABLO CCOC[C@@H]1C[N@H+](Cc2ccc(C)o2)Cc2ncn(C)c21 ZINC000096060208 185080311 /nfs/dbraw/zinc/08/03/11/185080311.db2.gz HIDCJFDOQASLTO-ZDUSSCGKSA-N 1 2 289.379 2.457 40 0 CEABLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C)o2)Cc2ncn(C)c21 ZINC000096060208 185080313 /nfs/dbraw/zinc/08/03/13/185080313.db2.gz HIDCJFDOQASLTO-ZDUSSCGKSA-N 1 2 289.379 2.457 40 0 CEABLO CCOC[C@@H]1CN(Cc2ccc(C)o2)Cc2[nH+]cn(C)c21 ZINC000096060208 185080314 /nfs/dbraw/zinc/08/03/14/185080314.db2.gz HIDCJFDOQASLTO-ZDUSSCGKSA-N 1 2 289.379 2.457 40 0 CEABLO CO[C@H]1CCOC2(C[NH+](Cc3cccs3)C2)C1 ZINC000585104492 345005776 /nfs/dbraw/zinc/00/57/76/345005776.db2.gz JCOKKSWMTLBFAJ-NSHDSACASA-N 1 2 253.367 2.128 40 0 CEABLO CO[C@@H]1CCOC2(C[NH+](Cc3ccc(C)s3)C2)C1 ZINC000585105412 345006016 /nfs/dbraw/zinc/00/60/16/345006016.db2.gz WFYUPRALQZMKKB-GFCCVEGCSA-N 1 2 267.394 2.436 40 0 CEABLO Cc1ccc(-n2nnnc2/C=C/[NH+]2CCCCC2)cc1 ZINC000055120936 362544033 /nfs/dbraw/zinc/54/40/33/362544033.db2.gz XGFXDCFGVDGZDK-FMIVXFBMSA-N 1 2 269.352 2.427 40 0 CEABLO CNc1cc(C)[nH+]c([C@H]2CCCN(c3cnccn3)C2)n1 ZINC000072356731 363130894 /nfs/dbraw/zinc/13/08/94/363130894.db2.gz OJVTYSORTJGSJQ-LBPRGKRZSA-N 1 2 284.367 2.001 40 0 CEABLO CCNc1cc(-c2cccnc2)[nH+]c(N[C@H](C)CC)n1 ZINC000329040242 202163705 /nfs/dbraw/zinc/16/37/05/202163705.db2.gz SBWVIYIILGNLJA-LLVKDONJSA-N 1 2 271.368 2.025 40 0 CEABLO CCNc1cc(-c2cccnc2)[nH+]c(N[C@@H](C)CC)n1 ZINC000329040243 202165960 /nfs/dbraw/zinc/16/59/60/202165960.db2.gz SBWVIYIILGNLJA-NSHDSACASA-N 1 2 271.368 2.025 40 0 CEABLO O=C(CCCOc1ccccc1)NCCCn1cc[nH+]c1 ZINC000014397510 361456933 /nfs/dbraw/zinc/45/69/33/361456933.db2.gz KXYNMCCOFOXABW-UHFFFAOYSA-N 1 2 287.363 2.249 40 0 CEABLO CC[C@H](Oc1ccccc1Cl)C(=O)N1CC[NH+](C)CC1 ZINC000030853722 361703930 /nfs/dbraw/zinc/70/39/30/361703930.db2.gz WPUNZXSLXUUNGE-ZDUSSCGKSA-N 1 2 296.798 2.271 40 0 CEABLO COCCN1CC[N@H+](Cc2ccoc2)Cc2cccnc21 ZINC000096198845 364409521 /nfs/dbraw/zinc/40/95/21/364409521.db2.gz OILSEPOUESGCCR-UHFFFAOYSA-N 1 2 287.363 2.143 40 0 CEABLO COCCN1CC[N@@H+](Cc2ccoc2)Cc2cccnc21 ZINC000096198845 364409527 /nfs/dbraw/zinc/40/95/27/364409527.db2.gz OILSEPOUESGCCR-UHFFFAOYSA-N 1 2 287.363 2.143 40 0 CEABLO CC(C)OCCCNC(=S)Nc1cc[nH+]cc1 ZINC000225178541 370286966 /nfs/dbraw/zinc/28/69/66/370286966.db2.gz WIQDQWJRJIFPHY-UHFFFAOYSA-N 1 2 253.371 2.183 40 0 CEABLO CCCn1ccc(C[NH2+]Cc2cnn(CC(F)F)c2)n1 ZINC000256050533 190002986 /nfs/dbraw/zinc/00/29/86/190002986.db2.gz FJSSTPAJNVPTTM-UHFFFAOYSA-N 1 2 283.326 2.045 40 0 CEABLO CC(C)n1cc(C[NH2+]Cc2ccn(C(F)F)n2)cn1 ZINC000256051797 190003819 /nfs/dbraw/zinc/00/38/19/190003819.db2.gz KNOBORHERVAHJP-UHFFFAOYSA-N 1 2 269.299 2.345 40 0 CEABLO CCCS(=O)(=O)N1CCC[C@@H]1c1cc[nH+]c(NC)c1 ZINC000257211982 190012355 /nfs/dbraw/zinc/01/23/55/190012355.db2.gz CBKMLHROXPTLAV-GFCCVEGCSA-N 1 2 283.397 2.000 40 0 CEABLO CCCS(=O)(=O)N1CCC[C@@H](c2cc[nH+]c(NC)c2)C1 ZINC000257225045 190015692 /nfs/dbraw/zinc/01/56/92/190015692.db2.gz FEOLXDRDPUIAEX-CYBMUJFWSA-N 1 2 297.424 2.043 40 0 CEABLO CC(C)CNC(=O)c1cc([C@H]2CCC[N@H+](C)C2)ccn1 ZINC000257324687 190034455 /nfs/dbraw/zinc/03/44/55/190034455.db2.gz WPSDKOSSOVDNOO-AWEZNQCLSA-N 1 2 275.396 2.277 40 0 CEABLO CC(C)CNC(=O)c1cc([C@H]2CCC[N@@H+](C)C2)ccn1 ZINC000257324687 190034456 /nfs/dbraw/zinc/03/44/56/190034456.db2.gz WPSDKOSSOVDNOO-AWEZNQCLSA-N 1 2 275.396 2.277 40 0 CEABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cnc(C)nc3C)C2)[nH+]1 ZINC000257335736 190036376 /nfs/dbraw/zinc/03/63/76/190036376.db2.gz YLPNWHNGSFTKTL-CYBMUJFWSA-N 1 2 299.378 2.145 40 0 CEABLO O=S1(=O)c2ccccc2[C@@H]2C[N@@H+](Cc3ccco3)C[C@H]21 ZINC000306130035 376539567 /nfs/dbraw/zinc/53/95/67/376539567.db2.gz IUOWOULZVOIKGW-DZGCQCFKSA-N 1 2 289.356 2.035 40 0 CEABLO O=S1(=O)c2ccccc2[C@@H]2C[N@H+](Cc3ccco3)C[C@H]21 ZINC000306130035 376539570 /nfs/dbraw/zinc/53/95/70/376539570.db2.gz IUOWOULZVOIKGW-DZGCQCFKSA-N 1 2 289.356 2.035 40 0 CEABLO C[C@H]1Cc2ccccc2CN1c1cc(NCCCO)[nH+]cn1 ZINC000328961062 376927821 /nfs/dbraw/zinc/92/78/21/376927821.db2.gz BAUAWEPCKGGYKE-ZDUSSCGKSA-N 1 2 298.390 2.222 40 0 CEABLO C[C@H]1Cc2ccccc2CN1c1cc(NCCCO)nc[nH+]1 ZINC000328961062 376927825 /nfs/dbraw/zinc/92/78/25/376927825.db2.gz BAUAWEPCKGGYKE-ZDUSSCGKSA-N 1 2 298.390 2.222 40 0 CEABLO O=C(CCc1ccccc1F)NCCCn1cc[nH+]c1 ZINC000225762784 230399545 /nfs/dbraw/zinc/39/95/45/230399545.db2.gz HOPLGZJHTXHSRX-UHFFFAOYSA-N 1 2 275.327 2.161 40 0 CEABLO COc1ccc([C@H]([NH3+])c2nnc(-c3cccc(O)c3)[nH]2)cc1 ZINC000095533672 185005732 /nfs/dbraw/zinc/00/57/32/185005732.db2.gz XMUREXYIHVKJBO-AWEZNQCLSA-N 1 2 296.330 2.234 40 0 CEABLO CCn1cc2c(n1)[C@@H](COC)C[N@@H+](Cc1ccco1)C2 ZINC000096059869 185080052 /nfs/dbraw/zinc/08/00/52/185080052.db2.gz DEQWQQDQUGZDER-CYBMUJFWSA-N 1 2 275.352 2.242 40 0 CEABLO CCn1cc2c(n1)[C@@H](COC)C[N@H+](Cc1ccco1)C2 ZINC000096059869 185080054 /nfs/dbraw/zinc/08/00/54/185080054.db2.gz DEQWQQDQUGZDER-CYBMUJFWSA-N 1 2 275.352 2.242 40 0 CEABLO c1ccn(Cc2nnn3c2C[N@H+](Cc2ccoc2)CCC3)c1 ZINC000096084709 185092431 /nfs/dbraw/zinc/09/24/31/185092431.db2.gz SHTWQPIKQZIAQR-UHFFFAOYSA-N 1 2 297.362 2.127 40 0 CEABLO c1ccn(Cc2nnn3c2C[N@@H+](Cc2ccoc2)CCC3)c1 ZINC000096084709 185092433 /nfs/dbraw/zinc/09/24/33/185092433.db2.gz SHTWQPIKQZIAQR-UHFFFAOYSA-N 1 2 297.362 2.127 40 0 CEABLO C[NH+](C)CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O ZINC000059502362 362649437 /nfs/dbraw/zinc/64/94/37/362649437.db2.gz WFNAPLNUUCBPSO-YRNVUSSQSA-N 1 2 280.324 2.381 40 0 CEABLO Cc1cc(N2CCC[C@H](c3ccnc(N(C)C)n3)C2)nc[nH+]1 ZINC000072364141 363130864 /nfs/dbraw/zinc/13/08/64/363130864.db2.gz UHCACYTVJSXMEL-ZDUSSCGKSA-N 1 2 298.394 2.025 40 0 CEABLO CNc1nc(NCc2ccccn2)cc(-c2ccccc2)[nH+]1 ZINC000328957292 202131125 /nfs/dbraw/zinc/13/11/25/202131125.db2.gz AJXGDRQTKIJJJL-UHFFFAOYSA-N 1 2 291.358 2.036 40 0 CEABLO CNc1nc(Nc2ccc(O)cc2)cc(C2CC2)[nH+]1 ZINC000328995927 202143759 /nfs/dbraw/zinc/14/37/59/202143759.db2.gz JJKNAIXQMRAYMR-UHFFFAOYSA-N 1 2 256.309 2.267 40 0 CEABLO CCNc1nc(Nc2cccc(O)c2)cc(C2CC2)[nH+]1 ZINC000329044776 202166251 /nfs/dbraw/zinc/16/62/51/202166251.db2.gz SXSQJEJTNFBKIW-UHFFFAOYSA-N 1 2 270.336 2.079 40 0 CEABLO [NH2+]=c1ccccn1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000001699167 361218579 /nfs/dbraw/zinc/21/85/79/361218579.db2.gz HIMWLGQWDZMNDY-GFCCVEGCSA-N 1 2 278.739 2.061 40 0 CEABLO O=C(NCCCn1cc[nH+]c1)c1ncoc1-c1ccccc1 ZINC000012221878 361375915 /nfs/dbraw/zinc/37/59/15/361375915.db2.gz GESWRVBNLVFOJU-UHFFFAOYSA-N 1 2 296.330 2.358 40 0 CEABLO Clc1ncccc1-c1noc(C[NH+]2CCSCC2)n1 ZINC000019293166 361526248 /nfs/dbraw/zinc/52/62/48/361526248.db2.gz UYZHJTWVFUSSEY-UHFFFAOYSA-N 1 2 296.783 2.334 40 0 CEABLO C[C@H]1c2[nH+]cc(Cn3cccn3)n2CCN1Cc1ccoc1 ZINC000096201247 364410105 /nfs/dbraw/zinc/41/01/05/364410105.db2.gz KENIYNRPNJLAFK-ZDUSSCGKSA-N 1 2 297.362 2.298 40 0 CEABLO COC(=O)[C@@]1([NH3+])C[C@@H]1c1cccc(Cl)c1Cl ZINC000216591646 370190391 /nfs/dbraw/zinc/19/03/91/370190391.db2.gz ULRGXNRLAKXGDA-RDDDGLTNSA-N 1 2 260.120 2.351 40 0 CEABLO CNc1nccnc1C[C@@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000257199911 371611075 /nfs/dbraw/zinc/61/10/75/371611075.db2.gz ABFTWCHCMLIAMM-ZDUSSCGKSA-N 1 2 298.394 2.076 40 0 CEABLO c1nn2cccnc2c1C[N@@H+]1CCCC[C@@H]1c1ccncn1 ZINC000257222193 371611527 /nfs/dbraw/zinc/61/15/27/371611527.db2.gz DSIJGROBWCQBPN-OAHLLOKOSA-N 1 2 294.362 2.247 40 0 CEABLO c1nn2cccnc2c1C[N@H+]1CCCC[C@@H]1c1ccncn1 ZINC000257222193 371611536 /nfs/dbraw/zinc/61/15/36/371611536.db2.gz DSIJGROBWCQBPN-OAHLLOKOSA-N 1 2 294.362 2.247 40 0 CEABLO CC(C)Cn1nccc1C[NH2+]Cc1ccn(CC(F)F)n1 ZINC000256051350 190003737 /nfs/dbraw/zinc/00/37/37/190003737.db2.gz IUOKWGRPDDQNGF-UHFFFAOYSA-N 1 2 297.353 2.291 40 0 CEABLO CCn1cc(C[NH2+]Cc2ccn(CC(C)C)n2)cn1 ZINC000256052632 190004068 /nfs/dbraw/zinc/00/40/68/190004068.db2.gz OCNLXSINDLZZCX-UHFFFAOYSA-N 1 2 261.373 2.045 40 0 CEABLO Cc1nccc([C@@H]2C[N@H+](CCOc3ccccc3)CCO2)n1 ZINC000257206521 190011893 /nfs/dbraw/zinc/01/18/93/190011893.db2.gz BDVVNRCTWSHAPM-KRWDZBQOSA-N 1 2 299.374 2.237 40 0 CEABLO Cc1nccc([C@@H]2C[N@@H+](CCOc3ccccc3)CCO2)n1 ZINC000257206521 190011894 /nfs/dbraw/zinc/01/18/94/190011894.db2.gz BDVVNRCTWSHAPM-KRWDZBQOSA-N 1 2 299.374 2.237 40 0 CEABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2ccc(C)[nH]c2=O)[nH+]1 ZINC000257251590 190019956 /nfs/dbraw/zinc/01/99/56/190019956.db2.gz JRKHKZFHOAHXDY-LBPRGKRZSA-N 1 2 286.335 2.104 40 0 CEABLO CNc1cc([C@@H]2CCCN(C(=O)c3cccn3C)C2)cc[nH+]1 ZINC000257291994 190027798 /nfs/dbraw/zinc/02/77/98/190027798.db2.gz QJNDKPDZMDDVMY-CQSZACIVSA-N 1 2 298.390 2.482 40 0 CEABLO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC(F)(F)CC1 ZINC000257303081 190030597 /nfs/dbraw/zinc/03/05/97/190030597.db2.gz SFRKGVQURUORRY-UHFFFAOYSA-N 1 2 292.289 2.139 40 0 CEABLO CN(C)c1cc([C@@H]2CCC[N@@H+]2Cc2c[nH]cn2)ccn1 ZINC000257317228 190032575 /nfs/dbraw/zinc/03/25/75/190032575.db2.gz VIWZNDRLCNAWID-AWEZNQCLSA-N 1 2 271.368 2.208 40 0 CEABLO CN(C)c1cc([C@@H]2CCC[N@H+]2Cc2c[nH]cn2)ccn1 ZINC000257317228 190032576 /nfs/dbraw/zinc/03/25/76/190032576.db2.gz VIWZNDRLCNAWID-AWEZNQCLSA-N 1 2 271.368 2.208 40 0 CEABLO CN(C)c1cc([C@@H]2CCC[N@@H+]2Cc2cnc[nH]2)ccn1 ZINC000257317228 190032577 /nfs/dbraw/zinc/03/25/77/190032577.db2.gz VIWZNDRLCNAWID-AWEZNQCLSA-N 1 2 271.368 2.208 40 0 CEABLO CN(C)c1cc([C@@H]2CCC[N@H+]2Cc2cnc[nH]2)ccn1 ZINC000257317228 190032578 /nfs/dbraw/zinc/03/25/78/190032578.db2.gz VIWZNDRLCNAWID-AWEZNQCLSA-N 1 2 271.368 2.208 40 0 CEABLO CCn1cc(C[N@@H+]2CCCC[C@@H]2c2ccncn2)cn1 ZINC000257320884 190033590 /nfs/dbraw/zinc/03/35/90/190033590.db2.gz VZAJKEQJWLPGBJ-OAHLLOKOSA-N 1 2 271.368 2.420 40 0 CEABLO CCn1cc(C[N@H+]2CCCC[C@@H]2c2ccncn2)cn1 ZINC000257320884 190033591 /nfs/dbraw/zinc/03/35/91/190033591.db2.gz VZAJKEQJWLPGBJ-OAHLLOKOSA-N 1 2 271.368 2.420 40 0 CEABLO O=S1(=O)c2ccccc2[C@H]2C[N@@H+](Cc3ccco3)C[C@H]21 ZINC000306130037 376541486 /nfs/dbraw/zinc/54/14/86/376541486.db2.gz IUOWOULZVOIKGW-UKRRQHHQSA-N 1 2 289.356 2.035 40 0 CEABLO O=S1(=O)c2ccccc2[C@H]2C[N@H+](Cc3ccco3)C[C@H]21 ZINC000306130037 376541493 /nfs/dbraw/zinc/54/14/93/376541493.db2.gz IUOWOULZVOIKGW-UKRRQHHQSA-N 1 2 289.356 2.035 40 0 CEABLO COc1ccc(NCc2nnc([C@@H]([NH3+])C(C)C)[nH]2)cc1 ZINC000095534734 394673620 /nfs/dbraw/zinc/67/36/20/394673620.db2.gz GPQMGHDYNNIQFZ-ZDUSSCGKSA-N 1 2 275.356 2.081 40 0 CEABLO COc1ccc(NCc2nc([C@@H]([NH3+])C(C)C)n[nH]2)cc1 ZINC000095534734 394673621 /nfs/dbraw/zinc/67/36/21/394673621.db2.gz GPQMGHDYNNIQFZ-ZDUSSCGKSA-N 1 2 275.356 2.081 40 0 CEABLO Fc1ccc(C2=NO[C@@H]3C[N@H+](Cc4ccccn4)C[C@H]23)cc1 ZINC000019401486 170785007 /nfs/dbraw/zinc/78/50/07/170785007.db2.gz NTTUQKFXZGPUIY-JKSUJKDBSA-N 1 2 297.333 2.456 40 0 CEABLO Fc1ccc(C2=NO[C@@H]3C[N@@H+](Cc4ccccn4)C[C@H]23)cc1 ZINC000019401486 170785009 /nfs/dbraw/zinc/78/50/09/170785009.db2.gz NTTUQKFXZGPUIY-JKSUJKDBSA-N 1 2 297.333 2.456 40 0 CEABLO CC[C@H](Oc1cccc(C)c1C)C(=O)N1CC[NH+](C)CC1 ZINC000022522717 171389819 /nfs/dbraw/zinc/38/98/19/171389819.db2.gz IAZPGSCFWROIQZ-HNNXBMFYSA-N 1 2 290.407 2.235 40 0 CEABLO C[N@@H+]1CCO[C@@](C)(C(=O)Nc2nc(C(C)(C)C)cs2)C1 ZINC000072379324 176386443 /nfs/dbraw/zinc/38/64/43/176386443.db2.gz RRBUYEXBZMESJN-CQSZACIVSA-N 1 2 297.424 2.100 40 0 CEABLO C[N@H+]1CCO[C@@](C)(C(=O)Nc2nc(C(C)(C)C)cs2)C1 ZINC000072379324 176386444 /nfs/dbraw/zinc/38/64/44/176386444.db2.gz RRBUYEXBZMESJN-CQSZACIVSA-N 1 2 297.424 2.100 40 0 CEABLO O=S1(=O)C[C@H]([NH+]2CCCCC2)c2ccccc21 ZINC000063598811 304796537 /nfs/dbraw/zinc/79/65/37/304796537.db2.gz WCNJVWNOKFFXIH-LBPRGKRZSA-N 1 2 251.351 2.001 40 0 CEABLO COC[C@H]1C[N@H+](Cc2cccs2)Cc2nn(C)cc21 ZINC000096060348 185080089 /nfs/dbraw/zinc/08/00/89/185080089.db2.gz YLAGXALUKVBDKA-LLVKDONJSA-N 1 2 277.393 2.227 40 0 CEABLO COC[C@H]1C[N@@H+](Cc2cccs2)Cc2nn(C)cc21 ZINC000096060348 185080090 /nfs/dbraw/zinc/08/00/90/185080090.db2.gz YLAGXALUKVBDKA-LLVKDONJSA-N 1 2 277.393 2.227 40 0 CEABLO Cc1ccc(CSCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000050079798 362399638 /nfs/dbraw/zinc/39/96/38/362399638.db2.gz LYIFWYYITOLOOX-UHFFFAOYSA-N 1 2 278.421 2.002 40 0 CEABLO CO[C@@]1(COc2ccccc2)CC[N@H+](Cc2ncc[nH]2)C1 ZINC000585274841 345009859 /nfs/dbraw/zinc/00/98/59/345009859.db2.gz PFPGWMVMYMSJTJ-INIZCTEOSA-N 1 2 287.363 2.080 40 0 CEABLO CO[C@@]1(COc2ccccc2)CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000585274841 345009862 /nfs/dbraw/zinc/00/98/62/345009862.db2.gz PFPGWMVMYMSJTJ-INIZCTEOSA-N 1 2 287.363 2.080 40 0 CEABLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](Cc2ccccc2)[C@@H](O)C1 ZINC000585278838 345010061 /nfs/dbraw/zinc/01/00/61/345010061.db2.gz HJDNJVMBIFAZFY-WBVHZDCISA-N 1 2 285.391 2.144 40 0 CEABLO Cc1[nH]ncc1C[N@H+]1CC[C@H](Cc2ccccc2)[C@@H](O)C1 ZINC000585278838 345010063 /nfs/dbraw/zinc/01/00/63/345010063.db2.gz HJDNJVMBIFAZFY-WBVHZDCISA-N 1 2 285.391 2.144 40 0 CEABLO CCc1ccc(CC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000158185086 188362250 /nfs/dbraw/zinc/36/22/50/188362250.db2.gz MUGRNHWMKULHBI-UHFFFAOYSA-N 1 2 271.364 2.195 40 0 CEABLO Cc1cc2c(cc1Cl)ncn2C[NH+]1CCOCC1 ZINC000073634232 363236576 /nfs/dbraw/zinc/23/65/76/363236576.db2.gz ZCGYVSSQWAOJDX-UHFFFAOYSA-N 1 2 265.744 2.288 40 0 CEABLO CNc1nc(Nc2ccc(O)cc2)cc(-c2ccncc2)[nH+]1 ZINC000328980813 202139094 /nfs/dbraw/zinc/13/90/94/202139094.db2.gz GPOFEGZUZZNNTD-UHFFFAOYSA-N 1 2 293.330 2.451 40 0 CEABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)NC2CC2)CC1 ZINC000012116314 361372689 /nfs/dbraw/zinc/37/26/89/361372689.db2.gz OHYLOPQSXQFKGD-UHFFFAOYSA-N 1 2 298.390 2.068 40 0 CEABLO CCOC([NH2+]Cc1ccc(OC)c(OC)c1)OCC ZINC000031671757 361716134 /nfs/dbraw/zinc/71/61/34/361716134.db2.gz OXGFVSNPQXGEOR-UHFFFAOYSA-N 1 2 269.341 2.150 40 0 CEABLO O=C(C[NH+]1Cc2ccccc2C1)Nc1ccc(O)cc1 ZINC000409205560 375520692 /nfs/dbraw/zinc/52/06/92/375520692.db2.gz CZCYPKQVNJFQJM-UHFFFAOYSA-N 1 2 268.316 2.347 40 0 CEABLO Cc1cc(N2CC[C@H](Cc3cccnc3)C2)nc[nH+]1 ZINC000257208867 190012267 /nfs/dbraw/zinc/01/22/67/190012267.db2.gz BNWBIEVWVPJSPR-CQSZACIVSA-N 1 2 254.337 2.249 40 0 CEABLO CCCn1cc(C[N@@H+]2CC[C@H](c3ccn[nH]3)C2)cn1 ZINC000257214043 190012840 /nfs/dbraw/zinc/01/28/40/190012840.db2.gz CKGUYASJBXCIDJ-ZDUSSCGKSA-N 1 2 259.357 2.006 40 0 CEABLO CCCn1cc(C[N@H+]2CC[C@H](c3ccn[nH]3)C2)cn1 ZINC000257214043 190012841 /nfs/dbraw/zinc/01/28/41/190012841.db2.gz CKGUYASJBXCIDJ-ZDUSSCGKSA-N 1 2 259.357 2.006 40 0 CEABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3cccc(C)n3)C2)[nH+]1 ZINC000257298782 190029706 /nfs/dbraw/zinc/02/97/06/190029706.db2.gz RNGYRDVEDGRXNE-LBPRGKRZSA-N 1 2 270.336 2.051 40 0 CEABLO CCn1cc[nH+]c1CN1CCCC[C@H]1c1ccnc(N)n1 ZINC000257312149 190032070 /nfs/dbraw/zinc/03/20/70/190032070.db2.gz UMQUTEUHFCKZMF-ZDUSSCGKSA-N 1 2 286.383 2.002 40 0 CEABLO CCn1ccnc1C[N@@H+]1CCCC[C@H]1c1ccnc(N)n1 ZINC000257312149 190032071 /nfs/dbraw/zinc/03/20/71/190032071.db2.gz UMQUTEUHFCKZMF-ZDUSSCGKSA-N 1 2 286.383 2.002 40 0 CEABLO CCn1ccnc1C[N@H+]1CCCC[C@H]1c1ccnc(N)n1 ZINC000257312149 190032072 /nfs/dbraw/zinc/03/20/72/190032072.db2.gz UMQUTEUHFCKZMF-ZDUSSCGKSA-N 1 2 286.383 2.002 40 0 CEABLO CCCc1cc(C(=O)N2CC[C@H](c3[nH]cc(C)[nH+]3)C2)no1 ZINC000257341891 190037296 /nfs/dbraw/zinc/03/72/96/190037296.db2.gz ZMIGEUUYZDFESA-NSHDSACASA-N 1 2 288.351 2.288 40 0 CEABLO CCn1nc(NC(=O)[C@H]2Cc3ccccc3C[N@@H+]2C)cc1C ZINC000019524144 394467889 /nfs/dbraw/zinc/46/78/89/394467889.db2.gz UIYJKIOXNLOXBB-OAHLLOKOSA-N 1 2 298.390 2.207 40 0 CEABLO CCn1nc(NC(=O)[C@H]2Cc3ccccc3C[N@H+]2C)cc1C ZINC000019524144 394467895 /nfs/dbraw/zinc/46/78/95/394467895.db2.gz UIYJKIOXNLOXBB-OAHLLOKOSA-N 1 2 298.390 2.207 40 0 CEABLO CNc1nc(Nc2ccccc2C)cc(C2CC2)[nH+]1 ZINC000329055495 394560354 /nfs/dbraw/zinc/56/03/54/394560354.db2.gz VOUZHUXCDFBMEX-UHFFFAOYSA-N 1 2 254.337 2.292 40 0 CEABLO Cc1nc(Nc2nncs2)cc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072360119 176376589 /nfs/dbraw/zinc/37/65/89/176376589.db2.gz SEQJDUANRVKUFQ-SNVBAGLBSA-N 1 2 290.396 2.189 40 0 CEABLO Cc1nc(Nc2nncs2)cc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072360119 176376590 /nfs/dbraw/zinc/37/65/90/176376590.db2.gz SEQJDUANRVKUFQ-SNVBAGLBSA-N 1 2 290.396 2.189 40 0 CEABLO Cc1nc(Cc2ccc(F)cc2)cc([C@@H]2COCC[NH2+]2)n1 ZINC000072366303 176381368 /nfs/dbraw/zinc/38/13/68/176381368.db2.gz GFVQZYMNFJLSDW-INIZCTEOSA-N 1 2 287.338 2.176 40 0 CEABLO Cc1cc(C)nc([C@@H]2CCN(c3cc[nH+]c(C)n3)C2)n1 ZINC000072385854 176390540 /nfs/dbraw/zinc/39/05/40/176390540.db2.gz LIQLYBHZZIYHSY-CYBMUJFWSA-N 1 2 269.352 2.186 40 0 CEABLO Cc1nc(NC(C)C)c2c([nH+]1)CCN(c1ncccn1)CC2 ZINC000096083834 293406484 /nfs/dbraw/zinc/40/64/84/293406484.db2.gz XYQUVFPAKBTRMD-UHFFFAOYSA-N 1 2 298.394 2.001 40 0 CEABLO Cc1nc([C@H]2C[C@@H]3CC[N@H+](Cc4ccco4)C[C@H]3O2)n[nH]1 ZINC000096046195 185071906 /nfs/dbraw/zinc/07/19/06/185071906.db2.gz XQSMOLLNMJQKBD-IACUBPJLSA-N 1 2 288.351 2.058 40 0 CEABLO Cc1nc([C@H]2C[C@@H]3CC[N@@H+](Cc4ccco4)C[C@H]3O2)n[nH]1 ZINC000096046195 185071908 /nfs/dbraw/zinc/07/19/08/185071908.db2.gz XQSMOLLNMJQKBD-IACUBPJLSA-N 1 2 288.351 2.058 40 0 CEABLO COC[C@@H]1Cn2ccnc2C[N@H+](Cc2ccc(C)o2)C1 ZINC000096059070 185078932 /nfs/dbraw/zinc/07/89/32/185078932.db2.gz VNQMLVNSKCNVLC-ZDUSSCGKSA-N 1 2 275.352 2.063 40 0 CEABLO COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2ccc(C)o2)C1 ZINC000096059070 185078933 /nfs/dbraw/zinc/07/89/33/185078933.db2.gz VNQMLVNSKCNVLC-ZDUSSCGKSA-N 1 2 275.352 2.063 40 0 CEABLO CCOC[C@H]1C[N@H+](Cc2ccoc2)Cc2cnn(C)c21 ZINC000096060055 185081351 /nfs/dbraw/zinc/08/13/51/185081351.db2.gz ATSUIWWMLSAUPR-CQSZACIVSA-N 1 2 275.352 2.149 40 0 CEABLO CCOC[C@H]1C[N@@H+](Cc2ccoc2)Cc2cnn(C)c21 ZINC000096060055 185081353 /nfs/dbraw/zinc/08/13/53/185081353.db2.gz ATSUIWWMLSAUPR-CQSZACIVSA-N 1 2 275.352 2.149 40 0 CEABLO CCOC[C@H]1CN(Cc2ccco2)Cc2[nH+]cn(C)c21 ZINC000096060203 185082034 /nfs/dbraw/zinc/08/20/34/185082034.db2.gz GVMRNKOXKBOACE-GFCCVEGCSA-N 1 2 275.352 2.149 40 0 CEABLO CCOC[C@H]1C[N@H+](Cc2ccco2)Cc2ncn(C)c21 ZINC000096060203 185082036 /nfs/dbraw/zinc/08/20/36/185082036.db2.gz GVMRNKOXKBOACE-GFCCVEGCSA-N 1 2 275.352 2.149 40 0 CEABLO CCOC[C@H]1C[N@@H+](Cc2ccco2)Cc2ncn(C)c21 ZINC000096060203 185082038 /nfs/dbraw/zinc/08/20/38/185082038.db2.gz GVMRNKOXKBOACE-GFCCVEGCSA-N 1 2 275.352 2.149 40 0 CEABLO CCOC[C@H]1C[N@H+](Cc2ccco2)Cc2cnn(C)c21 ZINC000096060051 185082065 /nfs/dbraw/zinc/08/20/65/185082065.db2.gz GCYBPADQBHYFEF-CYBMUJFWSA-N 1 2 275.352 2.149 40 0 CEABLO CCOC[C@H]1C[N@@H+](Cc2ccco2)Cc2cnn(C)c21 ZINC000096060051 185082067 /nfs/dbraw/zinc/08/20/67/185082067.db2.gz GCYBPADQBHYFEF-CYBMUJFWSA-N 1 2 275.352 2.149 40 0 CEABLO C[C@H](SCc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC000054371862 362533963 /nfs/dbraw/zinc/53/39/63/362533963.db2.gz GZULVOXXKKVZCV-ZDUSSCGKSA-N 1 2 278.421 2.082 40 0 CEABLO C=C1[NH+]=C(SC)N[C@H](c2ccco2)C1C(=O)OCC ZINC000408731216 538779541 /nfs/dbraw/zinc/77/95/41/538779541.db2.gz LHFLZSDJZUABHC-LLVKDONJSA-N 1 2 280.349 2.480 40 0 CEABLO Cc1ccc(C(C)C)cc1[C@H](O)C[NH+]1CCOCC1 ZINC000031911702 361722378 /nfs/dbraw/zinc/72/23/78/361722378.db2.gz UOPFBANJOIFBPB-MRXNPFEDSA-N 1 2 263.381 2.484 40 0 CEABLO c1ccc(N2CC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)[nH+]c1 ZINC000096218635 364412979 /nfs/dbraw/zinc/41/29/79/364412979.db2.gz REOYRRRNMKKHNJ-DOTOQJQBSA-N 1 2 297.358 2.293 40 0 CEABLO CC(C)C(=O)N1CC[C@]12CCC[N@H+](Cc1nccs1)C2 ZINC000096239465 364416680 /nfs/dbraw/zinc/41/66/80/364416680.db2.gz KFCXOLFZNFOICR-HNNXBMFYSA-N 1 2 293.436 2.366 40 0 CEABLO CC(C)C(=O)N1CC[C@]12CCC[N@@H+](Cc1nccs1)C2 ZINC000096239465 364416685 /nfs/dbraw/zinc/41/66/85/364416685.db2.gz KFCXOLFZNFOICR-HNNXBMFYSA-N 1 2 293.436 2.366 40 0 CEABLO Cc1cc(N2CCC(NC(=O)OC(C)(C)C)CC2)nc[nH+]1 ZINC000098214207 364537863 /nfs/dbraw/zinc/53/78/63/364537863.db2.gz WJLHQWKWUVHCTO-UHFFFAOYSA-N 1 2 292.383 2.279 40 0 CEABLO CCO[C@H]1CCOC2(C[NH+](Cc3ccc(OC)cc3)C2)C1 ZINC000247919930 371147578 /nfs/dbraw/zinc/14/75/78/371147578.db2.gz XIBKQPIBTKKABT-INIZCTEOSA-N 1 2 291.391 2.465 40 0 CEABLO CN(C(=O)c1cccn1C)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257279485 371611439 /nfs/dbraw/zinc/61/14/39/371611439.db2.gz OGWVNACUCKCMOY-AWEZNQCLSA-N 1 2 298.390 2.161 40 0 CEABLO CCOCC(=O)N1CCC(Cc2cc[nH+]c(C)c2)CC1 ZINC000257330532 371613035 /nfs/dbraw/zinc/61/30/35/371613035.db2.gz XOTUHOPEMKWLJE-UHFFFAOYSA-N 1 2 276.380 2.208 40 0 CEABLO CCn1ccc(C[NH2+]Cc2ccn(CC(C)C)n2)n1 ZINC000256054595 190005350 /nfs/dbraw/zinc/00/53/50/190005350.db2.gz WXQJLVGRFLEVNT-UHFFFAOYSA-N 1 2 261.373 2.045 40 0 CEABLO CCCn1ccc(C[NH2+]Cc2ccnn2CCC)n1 ZINC000256055048 190005472 /nfs/dbraw/zinc/00/54/72/190005472.db2.gz YXIJPZRLNLXIKM-UHFFFAOYSA-N 1 2 261.373 2.189 40 0 CEABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3cc(C)on3)C2)[nH+]1 ZINC000257202088 190010770 /nfs/dbraw/zinc/01/07/70/190010770.db2.gz AKJIJKNXVDGKBG-NSHDSACASA-N 1 2 274.324 2.034 40 0 CEABLO CCCn1cc(C[N@@H+]2CC[C@@H](c3ccn[nH]3)C2)cn1 ZINC000257214042 190012873 /nfs/dbraw/zinc/01/28/73/190012873.db2.gz CKGUYASJBXCIDJ-CYBMUJFWSA-N 1 2 259.357 2.006 40 0 CEABLO CCCn1cc(C[N@H+]2CC[C@@H](c3ccn[nH]3)C2)cn1 ZINC000257214042 190012874 /nfs/dbraw/zinc/01/28/74/190012874.db2.gz CKGUYASJBXCIDJ-CYBMUJFWSA-N 1 2 259.357 2.006 40 0 CEABLO Cc1c[nH]c([C@H]2C[N@H+](Cc3scnc3C)CCO2)n1 ZINC000257221545 190014510 /nfs/dbraw/zinc/01/45/10/190014510.db2.gz DPNNZRYRRAHTGZ-LLVKDONJSA-N 1 2 278.381 2.057 40 0 CEABLO Cc1c[nH]c([C@H]2C[N@@H+](Cc3scnc3C)CCO2)n1 ZINC000257221545 190014511 /nfs/dbraw/zinc/01/45/11/190014511.db2.gz DPNNZRYRRAHTGZ-LLVKDONJSA-N 1 2 278.381 2.057 40 0 CEABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3cccn3C)C2)[nH+]1 ZINC000257254764 190021220 /nfs/dbraw/zinc/02/12/20/190021220.db2.gz KEOCNMRQWSGNAE-LBPRGKRZSA-N 1 2 272.352 2.076 40 0 CEABLO Cc1nccc(C[N@H+]2CCN(C)[C@H](c3ccccc3)C2)n1 ZINC000257284915 190026988 /nfs/dbraw/zinc/02/69/88/190026988.db2.gz PEVKAHAWXKZGSN-KRWDZBQOSA-N 1 2 282.391 2.274 40 0 CEABLO Cc1nccc(C[N@@H+]2CCN(C)[C@H](c3ccccc3)C2)n1 ZINC000257284915 190026989 /nfs/dbraw/zinc/02/69/89/190026989.db2.gz PEVKAHAWXKZGSN-KRWDZBQOSA-N 1 2 282.391 2.274 40 0 CEABLO Cc1ccc(C[N@@H+]2CCO[C@H](c3nccnc3N)C2)s1 ZINC000257343329 190037500 /nfs/dbraw/zinc/03/75/00/190037500.db2.gz ZSLNDAOSBUFRPJ-LBPRGKRZSA-N 1 2 290.392 2.002 40 0 CEABLO Cc1ccc(C[N@H+]2CCO[C@H](c3nccnc3N)C2)s1 ZINC000257343329 190037501 /nfs/dbraw/zinc/03/75/01/190037501.db2.gz ZSLNDAOSBUFRPJ-LBPRGKRZSA-N 1 2 290.392 2.002 40 0 CEABLO CO[C@H]1Cn2nccc2C[N@H+](Cc2cccc(F)c2)C1 ZINC000247917717 286118588 /nfs/dbraw/zinc/11/85/88/286118588.db2.gz ZRYBFNGQFFFAQS-OAHLLOKOSA-N 1 2 275.327 2.053 40 0 CEABLO CO[C@H]1Cn2nccc2C[N@@H+](Cc2cccc(F)c2)C1 ZINC000247917717 286118589 /nfs/dbraw/zinc/11/85/89/286118589.db2.gz ZRYBFNGQFFFAQS-OAHLLOKOSA-N 1 2 275.327 2.053 40 0 CEABLO CCO[C@@H]1CCOC2(C[NH+](Cc3ccc(OC)cc3)C2)C1 ZINC000247919933 279784490 /nfs/dbraw/zinc/78/44/90/279784490.db2.gz XIBKQPIBTKKABT-MRXNPFEDSA-N 1 2 291.391 2.465 40 0 CEABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2cscn2)[nH+]1 ZINC000257240259 292838949 /nfs/dbraw/zinc/83/89/49/292838949.db2.gz HSTSRMXEPFOICN-NSHDSACASA-N 1 2 276.365 2.162 40 0 CEABLO Cc1cc(N2CCCC[C@@H]2c2cnccn2)nc[nH+]1 ZINC000072385555 301333798 /nfs/dbraw/zinc/33/37/98/301333798.db2.gz OIOHGNHENPQJRR-CYBMUJFWSA-N 1 2 255.325 2.307 40 0 CEABLO [NH3+][C@H](c1nnc(-c2cccc(O)c2)[nH]1)c1ccc(F)cc1 ZINC000095533265 185005703 /nfs/dbraw/zinc/00/57/03/185005703.db2.gz ZJZLWWIJCLWQSN-ZDUSSCGKSA-N 1 2 284.294 2.365 40 0 CEABLO c1cc(C[N@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)co1 ZINC000096057881 185078838 /nfs/dbraw/zinc/07/88/38/185078838.db2.gz QZJCONUJIDWYJC-ARFHVFGLSA-N 1 2 277.364 2.438 40 0 CEABLO c1cc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)co1 ZINC000096057881 185078839 /nfs/dbraw/zinc/07/88/39/185078839.db2.gz QZJCONUJIDWYJC-ARFHVFGLSA-N 1 2 277.364 2.438 40 0 CEABLO COC[C@H]1C[N@H+](Cc2ccc(C)o2)Cc2nn(C)cc21 ZINC000096060359 185080212 /nfs/dbraw/zinc/08/02/12/185080212.db2.gz JVZLRNWBXQAHQO-GFCCVEGCSA-N 1 2 275.352 2.067 40 0 CEABLO COC[C@H]1C[N@@H+](Cc2ccc(C)o2)Cc2nn(C)cc21 ZINC000096060359 185080213 /nfs/dbraw/zinc/08/02/13/185080213.db2.gz JVZLRNWBXQAHQO-GFCCVEGCSA-N 1 2 275.352 2.067 40 0 CEABLO COCCc1nc(Nc2cccc(C(C)=O)c2)cc(N)[nH+]1 ZINC000049467762 362364090 /nfs/dbraw/zinc/36/40/90/362364090.db2.gz DZJXWJNWAYHKPZ-UHFFFAOYSA-N 1 2 286.335 2.194 40 0 CEABLO COCCc1nc(N)cc(Nc2cccc(C(C)=O)c2)[nH+]1 ZINC000049467762 362364096 /nfs/dbraw/zinc/36/40/96/362364096.db2.gz DZJXWJNWAYHKPZ-UHFFFAOYSA-N 1 2 286.335 2.194 40 0 CEABLO Cc1nc(N2CCCC[C@H]2c2cnccn2)cc[nH+]1 ZINC000072364329 363131356 /nfs/dbraw/zinc/13/13/56/363131356.db2.gz UQYKOAYLXSLBHZ-ZDUSSCGKSA-N 1 2 255.325 2.307 40 0 CEABLO CNc1cc(C)[nH+]c(C2CCN(c3ncccn3)CC2)n1 ZINC000072356723 363131741 /nfs/dbraw/zinc/13/17/41/363131741.db2.gz NIOSMOAGKGGNAX-UHFFFAOYSA-N 1 2 284.367 2.001 40 0 CEABLO N#[N+]c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000004775653 361328259 /nfs/dbraw/zinc/32/82/59/361328259.db2.gz MDKTZTVIAYMTAO-UHFFFAOYSA-N 1 2 267.315 2.428 40 0 CEABLO CCOCc1[nH+]c(N)nc(N)c1-c1ccc(Cl)cc1 ZINC000013284927 361423072 /nfs/dbraw/zinc/42/30/72/361423072.db2.gz UTACRYWPYVJJJH-UHFFFAOYSA-N 1 2 278.743 2.498 40 0 CEABLO CCOC[C@@H]1Cn2c[nH+]cc2CN(C(=O)c2ccccc2)C1 ZINC000096207345 364411234 /nfs/dbraw/zinc/41/12/34/364411234.db2.gz ONUGKVRQXFLFTE-AWEZNQCLSA-N 1 2 299.374 2.192 40 0 CEABLO c1cc(C[NH+]2CC3(C2)OCC[C@H]3COCC2CC2)ccn1 ZINC000247906719 371146445 /nfs/dbraw/zinc/14/64/45/371146445.db2.gz XKRVWWRNWWKKPC-INIZCTEOSA-N 1 2 288.391 2.099 40 0 CEABLO COc1ccccc1C[NH+]1CC2(C1)C[C@H](OC)CCO2 ZINC000248115529 371162135 /nfs/dbraw/zinc/16/21/35/371162135.db2.gz BAZVYOUCLAVHIZ-CQSZACIVSA-N 1 2 277.364 2.075 40 0 CEABLO Cc1csc(C(=O)N2CCOC[C@@H]2c2[nH]cc(C)[nH+]2)c1 ZINC000257337651 371613165 /nfs/dbraw/zinc/61/31/65/371613165.db2.gz YTTQGYQIPATQDN-LLVKDONJSA-N 1 2 291.376 2.302 40 0 CEABLO CC(C)n1cc(C[NH2+]Cc2ccn(CC(F)F)n2)cn1 ZINC000256050129 190003237 /nfs/dbraw/zinc/00/32/37/190003237.db2.gz CVCJYCMXOHUQMN-UHFFFAOYSA-N 1 2 283.326 2.215 40 0 CEABLO FC(F)(F)Cn1ccc(C[NH2+]Cc2ccco2)n1 ZINC000256051430 190003539 /nfs/dbraw/zinc/00/35/39/190003539.db2.gz JDFYAOWDKWTSDF-UHFFFAOYSA-N 1 2 259.231 2.328 40 0 CEABLO CCn1ncc(C[NH2+]Cc2ccnn2C(C)C)c1F ZINC000256051086 190003652 /nfs/dbraw/zinc/00/36/52/190003652.db2.gz HQMVSGBQGKPFGI-UHFFFAOYSA-N 1 2 265.336 2.109 40 0 CEABLO CC(=O)N1CC[N@H+](Cc2cccnc2)[C@H](c2ccccc2)C1 ZINC000257213281 190013210 /nfs/dbraw/zinc/01/32/10/190013210.db2.gz CGXCIIXGMAEWSL-SFHVURJKSA-N 1 2 295.386 2.487 40 0 CEABLO CC(=O)N1CC[N@@H+](Cc2cccnc2)[C@H](c2ccccc2)C1 ZINC000257213281 190013211 /nfs/dbraw/zinc/01/32/11/190013211.db2.gz CGXCIIXGMAEWSL-SFHVURJKSA-N 1 2 295.386 2.487 40 0 CEABLO Cc1ccncc1C[N@@H+]1CCO[C@@H](c2ccnc(C)n2)C1 ZINC000257217926 190014077 /nfs/dbraw/zinc/01/40/77/190014077.db2.gz DBDGGJQSWHLQCU-MRXNPFEDSA-N 1 2 284.363 2.062 40 0 CEABLO Cc1ccncc1C[N@H+]1CCO[C@@H](c2ccnc(C)n2)C1 ZINC000257217926 190014078 /nfs/dbraw/zinc/01/40/78/190014078.db2.gz DBDGGJQSWHLQCU-MRXNPFEDSA-N 1 2 284.363 2.062 40 0 CEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)CCc2ccccc2)[nH+]1 ZINC000257221258 190014650 /nfs/dbraw/zinc/01/46/50/190014650.db2.gz DOECKDCFNGRHGF-HNNXBMFYSA-N 1 2 299.374 2.251 40 0 CEABLO Cc1c[nH]c([C@@H]2CCCN(S(=O)(=O)C3CCCC3)C2)[nH+]1 ZINC000257275357 190024738 /nfs/dbraw/zinc/02/47/38/190024738.db2.gz NOZKGALFEVTPEX-GFCCVEGCSA-N 1 2 297.424 2.170 40 0 CEABLO C[NH+]1CCC(Cc2ccc(-c3cc[nH]n3)nc2)CC1 ZINC000257325795 190034277 /nfs/dbraw/zinc/03/42/77/190034277.db2.gz WULODTCFZBNOAL-UHFFFAOYSA-N 1 2 256.353 2.356 40 0 CEABLO CNc1cc([C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)ccn1 ZINC000257323148 190034394 /nfs/dbraw/zinc/03/43/94/190034394.db2.gz WIYDBDDOFOOAHU-OAHLLOKOSA-N 1 2 285.395 2.236 40 0 CEABLO CNc1cc([C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)ccn1 ZINC000257323148 190034395 /nfs/dbraw/zinc/03/43/95/190034395.db2.gz WIYDBDDOFOOAHU-OAHLLOKOSA-N 1 2 285.395 2.236 40 0 CEABLO O=C(CC1CC1)NC[C@@H]1CCc2[nH+]cc(-c3cccnc3)n21 ZINC000306132505 376540399 /nfs/dbraw/zinc/54/03/99/376540399.db2.gz LKZFFRZBULHYBE-AWEZNQCLSA-N 1 2 296.374 2.349 40 0 CEABLO CCN(C)C(=O)c1nc([C@H]2CCC[N@@H+]2C)n2ccccc12 ZINC000306143837 376542536 /nfs/dbraw/zinc/54/25/36/376542536.db2.gz YNTZOBXSPILJRD-CYBMUJFWSA-N 1 2 286.379 2.193 40 0 CEABLO CCN(C)C(=O)c1nc([C@H]2CCC[N@H+]2C)n2ccccc12 ZINC000306143837 376542545 /nfs/dbraw/zinc/54/25/45/376542545.db2.gz YNTZOBXSPILJRD-CYBMUJFWSA-N 1 2 286.379 2.193 40 0 CEABLO Cc1ccc(S(=O)(=O)Nc2cc[nH+]cc2)c(C)c1 ZINC000005863980 170148066 /nfs/dbraw/zinc/14/80/66/170148066.db2.gz XSQCJXWCNQTWFO-UHFFFAOYSA-N 1 2 262.334 2.499 40 0 CEABLO O=C(NCCCn1cc[nH+]c1)Nc1ccccc1F ZINC000006161266 170180233 /nfs/dbraw/zinc/18/02/33/170180233.db2.gz RWFKFVZTNQXQHS-UHFFFAOYSA-N 1 2 262.288 2.234 40 0 CEABLO COc1ncc(C[N@@H+]2CCCC[C@@H]2c2ccnc(C)n2)cn1 ZINC000072386219 176391798 /nfs/dbraw/zinc/39/17/98/176391798.db2.gz FNXAXSRNNRKZJD-OAHLLOKOSA-N 1 2 299.378 2.311 40 0 CEABLO COc1ncc(C[N@H+]2CCCC[C@@H]2c2ccnc(C)n2)cn1 ZINC000072386219 176391800 /nfs/dbraw/zinc/39/18/00/176391800.db2.gz FNXAXSRNNRKZJD-OAHLLOKOSA-N 1 2 299.378 2.311 40 0 CEABLO CNc1ccc([C@H]2C[N@H+](Cc3ccc(O)cc3)CCO2)nc1 ZINC000072388038 176393456 /nfs/dbraw/zinc/39/34/56/176393456.db2.gz OYLMANCOMZEPBR-QGZVFWFLSA-N 1 2 299.374 2.402 40 0 CEABLO CNc1ccc([C@H]2C[N@@H+](Cc3ccc(O)cc3)CCO2)nc1 ZINC000072388038 176393457 /nfs/dbraw/zinc/39/34/57/176393457.db2.gz OYLMANCOMZEPBR-QGZVFWFLSA-N 1 2 299.374 2.402 40 0 CEABLO Fc1ccc(C2=NO[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]23)cc1 ZINC000072398491 176396876 /nfs/dbraw/zinc/39/68/76/176396876.db2.gz NTTUQKFXZGPUIY-HZPDHXFCSA-N 1 2 297.333 2.456 40 0 CEABLO Fc1ccc(C2=NO[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]23)cc1 ZINC000072398491 176396877 /nfs/dbraw/zinc/39/68/77/176396877.db2.gz NTTUQKFXZGPUIY-HZPDHXFCSA-N 1 2 297.333 2.456 40 0 CEABLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCCCC2=O)CC1 ZINC000049879677 278400181 /nfs/dbraw/zinc/40/01/81/278400181.db2.gz WPTDGLONFNMPDM-LBPRGKRZSA-N 1 2 282.384 2.051 40 0 CEABLO CCN(C)C(=O)c1nc([C@@H]2CCC[N@@H+]2C)n2ccccc12 ZINC000306143838 279029294 /nfs/dbraw/zinc/02/92/94/279029294.db2.gz YNTZOBXSPILJRD-ZDUSSCGKSA-N 1 2 286.379 2.193 40 0 CEABLO CCN(C)C(=O)c1nc([C@@H]2CCC[N@H+]2C)n2ccccc12 ZINC000306143838 279029295 /nfs/dbraw/zinc/02/92/95/279029295.db2.gz YNTZOBXSPILJRD-ZDUSSCGKSA-N 1 2 286.379 2.193 40 0 CEABLO Cc1nc(Nc2nncs2)cc([C@@H]2CCC[N@H+]2C)n1 ZINC000072360117 293344668 /nfs/dbraw/zinc/34/46/68/293344668.db2.gz LLSHHSGTUHWWHG-JTQLQIEISA-N 1 2 276.369 2.147 40 0 CEABLO Cc1nc(Nc2nncs2)cc([C@@H]2CCC[N@@H+]2C)n1 ZINC000072360117 293344669 /nfs/dbraw/zinc/34/46/69/293344669.db2.gz LLSHHSGTUHWWHG-JTQLQIEISA-N 1 2 276.369 2.147 40 0 CEABLO Cc1ccc([C@@H]([NH3+])c2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000095534165 185006537 /nfs/dbraw/zinc/00/65/37/185006537.db2.gz HCUJANFHYXUBON-VXGBXAGGSA-N 1 2 258.325 2.013 40 0 CEABLO COc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(O)cc3)[nH]2)cc1 ZINC000095533675 185007074 /nfs/dbraw/zinc/00/70/74/185007074.db2.gz DHTWSVIQMPHILG-CQSZACIVSA-N 1 2 296.330 2.234 40 0 CEABLO COc1ccc([C@@H]([NH3+])c2nc(-c3ccc(O)cc3)n[nH]2)cc1 ZINC000095533675 185007076 /nfs/dbraw/zinc/00/70/76/185007076.db2.gz DHTWSVIQMPHILG-CQSZACIVSA-N 1 2 296.330 2.234 40 0 CEABLO CCC[C@@H](n1nnc2ccccc21)[NH+]1CCOCC1 ZINC000032599876 361745228 /nfs/dbraw/zinc/74/52/28/361745228.db2.gz SZPSIOSHOVKIRO-CQSZACIVSA-N 1 2 260.341 2.062 40 0 CEABLO COC(=O)C1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000048331289 362256270 /nfs/dbraw/zinc/25/62/70/362256270.db2.gz ROBFSAXXKVLRJZ-UHFFFAOYSA-N 1 2 269.291 2.350 40 0 CEABLO CNc1nc(Nc2c(F)ccc(F)c2F)cc(C2CC2)[nH+]1 ZINC000328969007 202136135 /nfs/dbraw/zinc/13/61/35/202136135.db2.gz DBUGQYHMQRRWFI-UHFFFAOYSA-N 1 2 294.280 2.400 40 0 CEABLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000079387631 363592337 /nfs/dbraw/zinc/59/23/37/363592337.db2.gz GSPPPUFHXZAFAE-LLVKDONJSA-N 1 2 263.341 2.185 40 0 CEABLO O[C@@H]1C[C@@H](c2nc(C3CC3)no2)[N@H+](Cc2ccccc2)C1 ZINC000015674773 361476951 /nfs/dbraw/zinc/47/69/51/361476951.db2.gz QSUYOUQCWDKYLV-KGLIPLIRSA-N 1 2 285.347 2.255 40 0 biogenic,in-vitro CEABLO O[C@@H]1C[C@@H](c2nc(C3CC3)no2)[N@@H+](Cc2ccccc2)C1 ZINC000015674773 361476957 /nfs/dbraw/zinc/47/69/57/361476957.db2.gz QSUYOUQCWDKYLV-KGLIPLIRSA-N 1 2 285.347 2.255 40 0 biogenic,in-vitro CEABLO O=C(Cc1cccc(Cl)c1)NCCCn1cc[nH+]c1 ZINC000027562755 361654412 /nfs/dbraw/zinc/65/44/12/361654412.db2.gz YLYVZDOZRHASEC-UHFFFAOYSA-N 1 2 277.755 2.286 40 0 CEABLO c1cncc(C[NH+]2CC3(C2)C[C@H](OCC2CC2)CCO3)c1 ZINC000247975604 371152241 /nfs/dbraw/zinc/15/22/41/371152241.db2.gz VXVLSYZMJCSUFQ-MRXNPFEDSA-N 1 2 288.391 2.242 40 0 CEABLO CCCn1ccc(C[NH2+]Cc2ccnn2C(C)C)n1 ZINC000256054009 190005013 /nfs/dbraw/zinc/00/50/13/190005013.db2.gz UPMYKZCSPJDJMQ-UHFFFAOYSA-N 1 2 261.373 2.360 40 0 CEABLO Cc1ccnc([C@]2(C)CCCN2Cc2c[nH+]cn2C)n1 ZINC000257217879 190013858 /nfs/dbraw/zinc/01/38/58/190013858.db2.gz DAYZFTQFNBUYBO-HNNXBMFYSA-N 1 2 271.368 2.030 40 0 CEABLO CC(C)n1cc[nH+]c1CN1CCO[C@@H](c2ccccn2)C1 ZINC000257224599 190015317 /nfs/dbraw/zinc/01/53/17/190015317.db2.gz FCMRLSAQKYZEPG-OAHLLOKOSA-N 1 2 286.379 2.433 40 0 CEABLO CCn1cc(C(=O)N2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000257228850 190016260 /nfs/dbraw/zinc/01/62/60/190016260.db2.gz FVOAHZUZFWOUJV-INIZCTEOSA-N 1 2 298.390 2.032 40 0 CEABLO CCn1cc(C(=O)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000257228850 190016261 /nfs/dbraw/zinc/01/62/61/190016261.db2.gz FVOAHZUZFWOUJV-INIZCTEOSA-N 1 2 298.390 2.032 40 0 CEABLO Cc1ccc(C[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC000257218287 190014081 /nfs/dbraw/zinc/01/40/81/190014081.db2.gz DCNUKXPZMKVPFW-MRXNPFEDSA-N 1 2 298.390 2.068 40 0 CEABLO O=C(CCn1cc[nH+]c1)N1CCC[C@@H]1CCc1ccncc1 ZINC000257237754 190017809 /nfs/dbraw/zinc/01/78/09/190017809.db2.gz HHZRZNMWAZVUOS-MRXNPFEDSA-N 1 2 298.390 2.292 40 0 CEABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3scnc3C)C2)[nH+]1 ZINC000257241207 190018711 /nfs/dbraw/zinc/01/87/11/190018711.db2.gz HXCMJKJLLRAGKM-NSHDSACASA-N 1 2 290.392 2.123 40 0 CEABLO Cc1nc(N2C[C@@H]3[C@@H](Cc4cnccn4)CC[C@@H]3C2)cc[nH+]1 ZINC000257283937 190026033 /nfs/dbraw/zinc/02/60/33/190026033.db2.gz PANVXSWWAYKMOR-IIAWOOMASA-N 1 2 295.390 2.280 40 0 CEABLO Cc1nc([C@H]2C[N@H+](Cc3ccsc3)CCO2)cc(=O)[nH]1 ZINC000257307389 190031153 /nfs/dbraw/zinc/03/11/53/190031153.db2.gz SYLALVAAHDICMU-CYBMUJFWSA-N 1 2 291.376 2.126 40 0 CEABLO Cc1nc([C@H]2C[N@@H+](Cc3ccsc3)CCO2)cc(=O)[nH]1 ZINC000257307389 190031154 /nfs/dbraw/zinc/03/11/54/190031154.db2.gz SYLALVAAHDICMU-CYBMUJFWSA-N 1 2 291.376 2.126 40 0 CEABLO O=C1CC[C@]2(c3ccc(Cl)cc3)[NH2+]CCCN12 ZINC000019947403 304636588 /nfs/dbraw/zinc/63/65/88/304636588.db2.gz ISVGLFPWWZUOQR-ZDUSSCGKSA-N 1 2 250.729 2.109 40 0 CEABLO CC(C)[C@H]([NH3+])c1nnc(COc2ccc(F)cc2)[nH]1 ZINC000095534740 185006642 /nfs/dbraw/zinc/00/66/42/185006642.db2.gz PFJDIKBMKJQSCO-LBPRGKRZSA-N 1 2 264.304 2.179 40 0 CEABLO CCOCc1ncn2c1C[N@H+](Cc1ccco1)CCC2 ZINC000096058984 185079023 /nfs/dbraw/zinc/07/90/23/185079023.db2.gz FYJHSHCVTPOPFH-UHFFFAOYSA-N 1 2 275.352 2.419 40 0 CEABLO CCOCc1ncn2c1C[N@@H+](Cc1ccco1)CCC2 ZINC000096058984 185079025 /nfs/dbraw/zinc/07/90/25/185079025.db2.gz FYJHSHCVTPOPFH-UHFFFAOYSA-N 1 2 275.352 2.419 40 0 CEABLO Clc1cc(N2CC[NH+](Cc3ccco3)CC2)ncn1 ZINC000038579913 361986923 /nfs/dbraw/zinc/98/69/23/361986923.db2.gz OUIXKKMWDSXEPR-UHFFFAOYSA-N 1 2 278.743 2.045 40 0 CEABLO CC[NH+]1CCN(c2c(N)cc(C)cc2Br)CC1 ZINC000045886068 362170229 /nfs/dbraw/zinc/17/02/29/362170229.db2.gz FQLHYUIXTHWELD-UHFFFAOYSA-N 1 2 298.228 2.482 40 0 CEABLO CN(C(=O)c1cccn1C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257279486 136594446 /nfs/dbraw/zinc/59/44/46/136594446.db2.gz OGWVNACUCKCMOY-CQSZACIVSA-N 1 2 298.390 2.161 40 0 CEABLO COC(=O)C[N@H+](Cc1cccc(Cl)c1)C1CC1 ZINC000091355769 180138877 /nfs/dbraw/zinc/13/88/77/180138877.db2.gz PTCYQLQSVOXUED-UHFFFAOYSA-N 1 2 253.729 2.477 40 0 CEABLO COC(=O)C[N@@H+](Cc1cccc(Cl)c1)C1CC1 ZINC000091355769 180138878 /nfs/dbraw/zinc/13/88/78/180138878.db2.gz PTCYQLQSVOXUED-UHFFFAOYSA-N 1 2 253.729 2.477 40 0 CEABLO C[N@@H+]1CCO[C@@H](COc2cccc(Br)c2)C1 ZINC000092056776 180314563 /nfs/dbraw/zinc/31/45/63/180314563.db2.gz QJIOSZRRPYTKIW-GFCCVEGCSA-N 1 2 286.169 2.159 40 0 CEABLO C[N@H+]1CCO[C@@H](COc2cccc(Br)c2)C1 ZINC000092056776 180314564 /nfs/dbraw/zinc/31/45/64/180314564.db2.gz QJIOSZRRPYTKIW-GFCCVEGCSA-N 1 2 286.169 2.159 40 0 CEABLO CCNc1cc(-c2ccncc2)[nH+]c(NC2CCCC2)n1 ZINC000328986324 202141665 /nfs/dbraw/zinc/14/16/65/202141665.db2.gz HXDXEFWYNVOQKK-UHFFFAOYSA-N 1 2 283.379 2.169 40 0 CEABLO Oc1cccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)c1 ZINC000329010743 202151804 /nfs/dbraw/zinc/15/18/04/202151804.db2.gz MBADXJRMCQCYHS-UHFFFAOYSA-N 1 2 282.347 2.221 40 0 CEABLO CNc1nc(Nc2ccc(F)c(F)c2)cc(C2CC2)[nH+]1 ZINC000329034888 202161466 /nfs/dbraw/zinc/16/14/66/202161466.db2.gz RCFAHKYMNUOMDT-UHFFFAOYSA-N 1 2 276.290 2.261 40 0 CEABLO Cc1cccc(O[C@@H](C)C(=O)NCCCn2cc[nH+]c2)c1 ZINC000014399422 361458088 /nfs/dbraw/zinc/45/80/88/361458088.db2.gz ABZYCCHSBKEQHB-AWEZNQCLSA-N 1 2 287.363 2.165 40 0 CEABLO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@H+]1Cc1cccnc1 ZINC000019287507 361526255 /nfs/dbraw/zinc/52/62/55/361526255.db2.gz QVRBKQDTAVGXQD-XJKSGUPXSA-N 1 2 266.348 2.442 40 0 CEABLO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@@H+]1Cc1cccnc1 ZINC000019287507 361526258 /nfs/dbraw/zinc/52/62/58/361526258.db2.gz QVRBKQDTAVGXQD-XJKSGUPXSA-N 1 2 266.348 2.442 40 0 CEABLO COC[C@@H]1c2c(cnn2C)CC[N@H+]1Cc1ccc(C)o1 ZINC000096197706 364409429 /nfs/dbraw/zinc/40/94/29/364409429.db2.gz DUUOJJARCFJVTG-CQSZACIVSA-N 1 2 275.352 2.067 40 0 CEABLO COC[C@@H]1c2c(cnn2C)CC[N@@H+]1Cc1ccc(C)o1 ZINC000096197706 364409435 /nfs/dbraw/zinc/40/94/35/364409435.db2.gz DUUOJJARCFJVTG-CQSZACIVSA-N 1 2 275.352 2.067 40 0 CEABLO COc1ncccc1C(=O)N1CCC[C@H]1c1[nH]cc(C)[nH+]1 ZINC000257199863 190010462 /nfs/dbraw/zinc/01/04/62/190010462.db2.gz ABBPRNMYBAUUDQ-LBPRGKRZSA-N 1 2 286.335 2.099 40 0 CEABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3sc(C)nc3C)C2)[nH+]1 ZINC000257263674 190022538 /nfs/dbraw/zinc/02/25/38/190022538.db2.gz LQZPXPYNJPCNTN-NSHDSACASA-N 1 2 290.392 2.421 40 0 CEABLO Cc1cn(C)c([C@@H]2CC[N@H+](Cc3cccc(C(=O)[O-])c3)C2)[nH+]1 ZINC000257287391 190027022 /nfs/dbraw/zinc/02/70/22/190027022.db2.gz PPTLTTCADFJMHL-OAHLLOKOSA-N 1 2 299.374 2.416 40 0 CEABLO Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3cccc(C(=O)[O-])c3)C2)[nH+]1 ZINC000257287391 190027023 /nfs/dbraw/zinc/02/70/23/190027023.db2.gz PPTLTTCADFJMHL-OAHLLOKOSA-N 1 2 299.374 2.416 40 0 CEABLO CNc1cncc([C@H]2CCC[N@@H+]2Cc2nccs2)n1 ZINC000257314242 190031589 /nfs/dbraw/zinc/03/15/89/190031589.db2.gz UWAATUFMXFAYEQ-LLVKDONJSA-N 1 2 275.381 2.312 40 0 CEABLO CNc1cncc([C@H]2CCC[N@H+]2Cc2nccs2)n1 ZINC000257314242 190031590 /nfs/dbraw/zinc/03/15/90/190031590.db2.gz UWAATUFMXFAYEQ-LLVKDONJSA-N 1 2 275.381 2.312 40 0 CEABLO CCn1cc(-c2nccnc2CC2CC[NH+](C)CC2)cn1 ZINC000257323190 190033929 /nfs/dbraw/zinc/03/39/29/190033929.db2.gz WJCCBLMQSJNONA-UHFFFAOYSA-N 1 2 285.395 2.244 40 0 CEABLO Cc1nc(-c2nccs2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000257325735 190033948 /nfs/dbraw/zinc/03/39/48/190033948.db2.gz WUFFAFSUWNAJJN-JTQLQIEISA-N 1 2 260.366 2.376 40 0 CEABLO CCCn1cc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OC)C2)cn1 ZINC000257324181 190034023 /nfs/dbraw/zinc/03/40/23/190034023.db2.gz WNOHCSDVKZPKIS-HOTGVXAUSA-N 1 2 293.411 2.063 40 0 CEABLO CCCn1cc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OC)C2)cn1 ZINC000257324181 190034024 /nfs/dbraw/zinc/03/40/24/190034024.db2.gz WNOHCSDVKZPKIS-HOTGVXAUSA-N 1 2 293.411 2.063 40 0 CEABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)CCc2cccnc2)[nH+]1 ZINC000257327414 190035001 /nfs/dbraw/zinc/03/50/01/190035001.db2.gz XBFWDRMFVVZRCR-AWEZNQCLSA-N 1 2 284.363 2.409 40 0 CEABLO O=C(C1CCOCC1)N1CCC[C@H]1c1cccc2[nH+]ccn21 ZINC000257332138 190035697 /nfs/dbraw/zinc/03/56/97/190035697.db2.gz XVXMFNXQWWRYCM-HNNXBMFYSA-N 1 2 299.374 2.424 40 0 CEABLO CCNc1nc(Nc2ccc3c(c2)OCO3)cc(C2CC2)[nH+]1 ZINC000329057780 394560378 /nfs/dbraw/zinc/56/03/78/394560378.db2.gz VYWJMUYMZJDRBR-UHFFFAOYSA-N 1 2 298.346 2.102 40 0 CEABLO Cn1cc[nH+]c1[C@@H](NC(=O)C1CC1)c1ccc(F)c(F)c1 ZINC000072373525 176384510 /nfs/dbraw/zinc/38/45/10/176384510.db2.gz FYHQVIYCBGHPCX-ZDUSSCGKSA-N 1 2 291.301 2.314 40 0 CEABLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000030678190 277188289 /nfs/dbraw/zinc/18/82/89/277188289.db2.gz YKGYLSBMOUSMDS-UHFFFAOYSA-N 1 2 277.368 2.134 40 0 CEABLO Nc1nc(N2CCSCC2)[nH+]cc1-c1ccccc1 ZINC000040175467 295368641 /nfs/dbraw/zinc/36/86/41/295368641.db2.gz JUUAERXPJWERQJ-UHFFFAOYSA-N 1 2 272.377 2.279 40 0 CEABLO O=C(C[NH+]1CCC(O)CC1)c1ccc(Br)cc1 ZINC000049537515 526729258 /nfs/dbraw/zinc/72/92/58/526729258.db2.gz YIKJVYRUAKILMY-UHFFFAOYSA-N 1 2 298.180 2.089 40 0 CEABLO c1cc(C[N@H+]2CCO[C@H]3[C@@H](OCC4CC4)CC[C@@H]32)co1 ZINC000096042063 185070861 /nfs/dbraw/zinc/07/08/61/185070861.db2.gz QZJCONUJIDWYJC-HRCADAONSA-N 1 2 277.364 2.438 40 0 CEABLO c1cc(C[N@@H+]2CCO[C@H]3[C@@H](OCC4CC4)CC[C@@H]32)co1 ZINC000096042063 185070863 /nfs/dbraw/zinc/07/08/63/185070863.db2.gz QZJCONUJIDWYJC-HRCADAONSA-N 1 2 277.364 2.438 40 0 CEABLO COC[C@@H]1C[N@H+](Cc2ccc(C)o2)Cc2nn(C)cc21 ZINC000096060358 185080252 /nfs/dbraw/zinc/08/02/52/185080252.db2.gz JVZLRNWBXQAHQO-LBPRGKRZSA-N 1 2 275.352 2.067 40 0 CEABLO COC[C@@H]1C[N@@H+](Cc2ccc(C)o2)Cc2nn(C)cc21 ZINC000096060358 185080253 /nfs/dbraw/zinc/08/02/53/185080253.db2.gz JVZLRNWBXQAHQO-LBPRGKRZSA-N 1 2 275.352 2.067 40 0 CEABLO CCOC[C@@H]1C[N@H+](Cc2ccco2)Cc2cnn(C)c21 ZINC000096060050 185080700 /nfs/dbraw/zinc/08/07/00/185080700.db2.gz GCYBPADQBHYFEF-ZDUSSCGKSA-N 1 2 275.352 2.149 40 0 CEABLO CCOC[C@@H]1C[N@@H+](Cc2ccco2)Cc2cnn(C)c21 ZINC000096060050 185080701 /nfs/dbraw/zinc/08/07/01/185080701.db2.gz GCYBPADQBHYFEF-ZDUSSCGKSA-N 1 2 275.352 2.149 40 0 CEABLO CCOC[C@@H]1C[N@H+](Cc2ccoc2)Cc2cn(C)nc21 ZINC000096059828 185081038 /nfs/dbraw/zinc/08/10/38/185081038.db2.gz JZUWDLPDVCGRNN-AWEZNQCLSA-N 1 2 275.352 2.149 40 0 CEABLO CCOC[C@@H]1C[N@@H+](Cc2ccoc2)Cc2cn(C)nc21 ZINC000096059828 185081040 /nfs/dbraw/zinc/08/10/40/185081040.db2.gz JZUWDLPDVCGRNN-AWEZNQCLSA-N 1 2 275.352 2.149 40 0 CEABLO c1ccc(N2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)[nH+]c1 ZINC000107225808 186163320 /nfs/dbraw/zinc/16/33/20/186163320.db2.gz REOYRRRNMKKHNJ-WBVHZDCISA-N 1 2 297.358 2.293 40 0 CEABLO CNc1cc([C@@H]2CCCN(c3cc(C)ncn3)C2)[nH+]c(C)n1 ZINC000072364156 363131096 /nfs/dbraw/zinc/13/10/96/363131096.db2.gz ZILGPCYIMPCLDR-CYBMUJFWSA-N 1 2 298.394 2.309 40 0 CEABLO Cc1cc(N2CCC(c3csc(N)n3)CC2)nc[nH+]1 ZINC000072369039 363131474 /nfs/dbraw/zinc/13/14/74/363131474.db2.gz YTOHMNMAHFAXHY-UHFFFAOYSA-N 1 2 275.381 2.208 40 0 CEABLO COC(=O)c1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC000260918102 540140147 /nfs/dbraw/zinc/14/01/47/540140147.db2.gz HNLBEPCSLPBWNK-UHFFFAOYSA-N 1 2 281.109 2.421 40 0 CEABLO c1ccc(N2CCN(c3ncnc4ccccc43)CC2)[nH+]c1 ZINC000016525464 361490763 /nfs/dbraw/zinc/49/07/63/361490763.db2.gz KXAKIOXJTOXOFV-UHFFFAOYSA-N 1 2 291.358 2.351 40 0 CEABLO CCC(=O)N1CCN(CC(C)C)c2[nH+]cccc2C1 ZINC000096198824 364409082 /nfs/dbraw/zinc/40/90/82/364409082.db2.gz SHXMBNFYXGKJJO-UHFFFAOYSA-N 1 2 261.369 2.296 40 0 CEABLO CCOC[C@@H]1CCn2c[nH+]cc2CN1C(=O)C1=CCCC1 ZINC000585096962 367178041 /nfs/dbraw/zinc/17/80/41/367178041.db2.gz GBONICVOMZJQJM-AWEZNQCLSA-N 1 2 289.379 2.131 40 0 CEABLO Cc1ncc(C[N@@H+]2CCCC[C@@H]2c2ccncn2)cn1 ZINC000257344140 371612814 /nfs/dbraw/zinc/61/28/14/371612814.db2.gz ZVXYHUUMVIMIJB-OAHLLOKOSA-N 1 2 269.352 2.302 40 0 CEABLO Cc1ncc(C[N@H+]2CCCC[C@@H]2c2ccncn2)cn1 ZINC000257344140 371612816 /nfs/dbraw/zinc/61/28/16/371612816.db2.gz ZVXYHUUMVIMIJB-OAHLLOKOSA-N 1 2 269.352 2.302 40 0 CEABLO CC(C)n1ccc(C[NH2+]Cc2ccnn2C(F)F)n1 ZINC000256051419 190003996 /nfs/dbraw/zinc/00/39/96/190003996.db2.gz JCMFPOAYALOSPM-UHFFFAOYSA-N 1 2 269.299 2.345 40 0 CEABLO CC(C)Cn1ccc(C[NH2+]Cc2cnn(CC(F)F)c2)n1 ZINC000256053075 190004368 /nfs/dbraw/zinc/00/43/68/190004368.db2.gz PVYRHQDJRWSINI-UHFFFAOYSA-N 1 2 297.353 2.291 40 0 CEABLO FCCn1ccc(C[NH2+]Cc2cc(F)ccc2F)n1 ZINC000256052956 190004536 /nfs/dbraw/zinc/00/45/36/190004536.db2.gz PJEVFVJTVHPADE-UHFFFAOYSA-N 1 2 269.270 2.421 40 0 CEABLO CC(C)Cn1cc(C[NH2+]Cc2ccn(C(F)F)n2)cn1 ZINC000256054702 190005539 /nfs/dbraw/zinc/00/55/39/190005539.db2.gz XKNPRNFJQKWFAZ-UHFFFAOYSA-N 1 2 283.326 2.421 40 0 CEABLO CC[C@@H](C)n1nccc1C[NH2+]Cc1ccn(CC)n1 ZINC000256054684 190005704 /nfs/dbraw/zinc/00/57/04/190005704.db2.gz XIUFFCCPNJHAAP-GFCCVEGCSA-N 1 2 261.373 2.360 40 0 CEABLO CCCS(=O)(=O)N1CCC[C@H](c2cc[nH+]c(NC)c2)C1 ZINC000257225046 190015420 /nfs/dbraw/zinc/01/54/20/190015420.db2.gz FEOLXDRDPUIAEX-ZDUSSCGKSA-N 1 2 297.424 2.043 40 0 CEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3n[nH]c4ccccc43)C2)[nH+]1 ZINC000257218053 190014148 /nfs/dbraw/zinc/01/41/48/190014148.db2.gz DBRDKJZFNHVPFE-LLVKDONJSA-N 1 2 295.346 2.224 40 0 CEABLO CC(=O)N1CCC[C@@H]1c1cccc(-c2c[nH+]cn2C)n1 ZINC000257223716 190014607 /nfs/dbraw/zinc/01/46/07/190014607.db2.gz DYPLXLWFBCZDSJ-CQSZACIVSA-N 1 2 270.336 2.166 40 0 CEABLO CC(=O)N1CCN(Cc2[nH]c[nH+]c2C)[C@@H](c2ccccc2)C1 ZINC000257222591 190014931 /nfs/dbraw/zinc/01/49/31/190014931.db2.gz DTXPKCGTCHVTCD-QGZVFWFLSA-N 1 2 298.390 2.124 40 0 CEABLO O=C(C1CCOCC1)N1CCC[C@@H]1c1cccc2[nH+]ccn21 ZINC000257332139 190035453 /nfs/dbraw/zinc/03/54/53/190035453.db2.gz XVXMFNXQWWRYCM-OAHLLOKOSA-N 1 2 299.374 2.424 40 0 CEABLO Cc1cn(C)c([C@H]2CCN(C(=O)CCc3cccnc3)C2)[nH+]1 ZINC000257342282 190036942 /nfs/dbraw/zinc/03/69/42/190036942.db2.gz ZNYYRUSQTSIMET-HNNXBMFYSA-N 1 2 298.390 2.072 40 0 CEABLO CC[NH+]1C=CC(=C2N=c3ccc(Cl)cc3=N2)C=C1 ZINC000409416124 285179194 /nfs/dbraw/zinc/17/91/94/285179194.db2.gz YGKOPZHFRKUWGQ-UHFFFAOYSA-N 1 2 257.724 2.167 40 0 CEABLO CNc1nc(Nc2cccc(F)c2)cc(C2CC2)[nH+]1 ZINC000329056715 394560333 /nfs/dbraw/zinc/56/03/33/394560333.db2.gz VTVSFNKGCGADFG-UHFFFAOYSA-N 1 2 258.300 2.122 40 0 CEABLO Cc1cc(N2CCOCC2)[nH+]cc1[C@H](O)c1ccccc1 ZINC000072223553 394594617 /nfs/dbraw/zinc/59/46/17/394594617.db2.gz FKFDXEFDTSFUQQ-QGZVFWFLSA-N 1 2 284.359 2.308 40 0 CEABLO CCOC[C@H]1Cn2ccnc2C[N@H+](Cc2ccoc2)C1 ZINC000096059116 185078789 /nfs/dbraw/zinc/07/87/89/185078789.db2.gz KYOQEFUQTVUTLO-CQSZACIVSA-N 1 2 275.352 2.145 40 0 CEABLO CCOC[C@H]1Cn2ccnc2C[N@@H+](Cc2ccoc2)C1 ZINC000096059116 185078790 /nfs/dbraw/zinc/07/87/90/185078790.db2.gz KYOQEFUQTVUTLO-CQSZACIVSA-N 1 2 275.352 2.145 40 0 CEABLO CCOC[C@H]1Cn2cc[nH+]c2CN(Cc2ccoc2)C1 ZINC000096059116 185078791 /nfs/dbraw/zinc/07/87/91/185078791.db2.gz KYOQEFUQTVUTLO-CQSZACIVSA-N 1 2 275.352 2.145 40 0 CEABLO Cc1cc(N2CCC(c3cncc(N(C)C)n3)CC2)nc[nH+]1 ZINC000072364134 363131814 /nfs/dbraw/zinc/13/18/14/363131814.db2.gz FCHLYSUFWIFMMT-UHFFFAOYSA-N 1 2 298.394 2.025 40 0 CEABLO Cc1ccccc1Nc1cc(C2CC2)[nH+]c(N[C@H](C)CO)n1 ZINC000329029218 202158890 /nfs/dbraw/zinc/15/88/90/202158890.db2.gz PYDYZZYYAJNIMQ-GFCCVEGCSA-N 1 2 298.390 2.043 40 0 CEABLO CN(C)C(=O)c1n[nH]c2c1C[N@H+](CC1CCCCC1)C2 ZINC000096187510 364407658 /nfs/dbraw/zinc/40/76/58/364407658.db2.gz SJSRTEQXFVJHKB-UHFFFAOYSA-N 1 2 276.384 2.007 40 0 CEABLO CN(C)C(=O)c1n[nH]c2c1C[N@@H+](CC1CCCCC1)C2 ZINC000096187510 364407661 /nfs/dbraw/zinc/40/76/61/364407661.db2.gz SJSRTEQXFVJHKB-UHFFFAOYSA-N 1 2 276.384 2.007 40 0 CEABLO COC[C@H]1c2c(cnn2C)CC[N@H+]1Cc1ccc(C)o1 ZINC000096197705 364409009 /nfs/dbraw/zinc/40/90/09/364409009.db2.gz DUUOJJARCFJVTG-AWEZNQCLSA-N 1 2 275.352 2.067 40 0 CEABLO COC[C@H]1c2c(cnn2C)CC[N@@H+]1Cc1ccc(C)o1 ZINC000096197705 364409010 /nfs/dbraw/zinc/40/90/10/364409010.db2.gz DUUOJJARCFJVTG-AWEZNQCLSA-N 1 2 275.352 2.067 40 0 CEABLO CN1CCN(C(=O)NCc2ccccc2)Cc2ccc[nH+]c21 ZINC000096198815 364408291 /nfs/dbraw/zinc/40/82/91/364408291.db2.gz PQSMCYQELBRCSV-UHFFFAOYSA-N 1 2 296.374 2.243 40 0 CEABLO CC(C)(C)OC(=O)NCCCc1ccc(N)[nH+]c1 ZINC000225776680 370315989 /nfs/dbraw/zinc/31/59/89/370315989.db2.gz JQPYSFVYFRUNMI-UHFFFAOYSA-N 1 2 251.330 2.121 40 0 CEABLO COCC[C@H]1CCOC2(C[NH+](Cc3ccncc3)C2)C1 ZINC000247821593 371142646 /nfs/dbraw/zinc/14/26/46/371142646.db2.gz DIFQSATYDUAAAF-AWEZNQCLSA-N 1 2 276.380 2.099 40 0 CEABLO COCC[C@@H]1CCOC12C[NH+](Cc1ccccc1F)C2 ZINC000247833687 371143926 /nfs/dbraw/zinc/14/39/26/371143926.db2.gz IIPWQVTUMUEODE-CQSZACIVSA-N 1 2 279.355 2.453 40 0 CEABLO c1cncc(C[NH+]2CC3(C2)C[C@@H](OCC2CC2)CCO3)c1 ZINC000247975600 371151324 /nfs/dbraw/zinc/15/13/24/371151324.db2.gz VXVLSYZMJCSUFQ-INIZCTEOSA-N 1 2 288.391 2.242 40 0 CEABLO CC(C)n1nccc1C[NH2+]Cc1ccn(CC(F)F)n1 ZINC000256051237 190003900 /nfs/dbraw/zinc/00/39/00/190003900.db2.gz IIKYZPLJVUFZIR-UHFFFAOYSA-N 1 2 283.326 2.215 40 0 CEABLO CNc1cc([C@@H]2CCCN(C(=O)c3cnco3)C2)cc[nH+]1 ZINC000257203754 190011652 /nfs/dbraw/zinc/01/16/52/190011652.db2.gz ARMUDJIHSSVDML-GFCCVEGCSA-N 1 2 286.335 2.131 40 0 CEABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cncs3)C2)[nH+]1 ZINC000257210133 190012717 /nfs/dbraw/zinc/01/27/17/190012717.db2.gz BTHKXROEXAYUST-LLVKDONJSA-N 1 2 290.392 2.205 40 0 CEABLO Cc1c[nH]c([C@H]2CCCN2c2nc(C)cc(C)n2)[nH+]1 ZINC000257232987 190017063 /nfs/dbraw/zinc/01/70/63/190017063.db2.gz GNFKVGGMKYTBDA-GFCCVEGCSA-N 1 2 257.341 2.466 40 0 CEABLO c1nn2cccnc2c1C[N@@H+]1CCCC[C@H]1c1ccncn1 ZINC000257222192 190014737 /nfs/dbraw/zinc/01/47/37/190014737.db2.gz DSIJGROBWCQBPN-HNNXBMFYSA-N 1 2 294.362 2.247 40 0 CEABLO c1nn2cccnc2c1C[N@H+]1CCCC[C@H]1c1ccncn1 ZINC000257222192 190014738 /nfs/dbraw/zinc/01/47/38/190014738.db2.gz DSIJGROBWCQBPN-HNNXBMFYSA-N 1 2 294.362 2.247 40 0 CEABLO CNc1cccc([C@@H]2C[N@H+](Cc3cccc(C)n3)CCO2)n1 ZINC000257254302 190020833 /nfs/dbraw/zinc/02/08/33/190020833.db2.gz KCNIBBYAMZCLDK-INIZCTEOSA-N 1 2 298.390 2.400 40 0 CEABLO CNc1cccc([C@@H]2C[N@@H+](Cc3cccc(C)n3)CCO2)n1 ZINC000257254302 190020834 /nfs/dbraw/zinc/02/08/34/190020834.db2.gz KCNIBBYAMZCLDK-INIZCTEOSA-N 1 2 298.390 2.400 40 0 CEABLO CC1(c2nccs2)CC[NH+](Cc2cnc[nH]2)CC1 ZINC000257257145 190021349 /nfs/dbraw/zinc/02/13/49/190021349.db2.gz KOFRPOIYECEVGO-UHFFFAOYSA-N 1 2 262.382 2.420 40 0 CEABLO Cc1ncsc1C[N@@H+]1CCO[C@H](c2ccnc(C)n2)C1 ZINC000257282784 190026272 /nfs/dbraw/zinc/02/62/72/190026272.db2.gz OVHAISPZSHLEIX-ZDUSSCGKSA-N 1 2 290.392 2.123 40 0 CEABLO Cc1ncsc1C[N@H+]1CCO[C@H](c2ccnc(C)n2)C1 ZINC000257282784 190026273 /nfs/dbraw/zinc/02/62/73/190026273.db2.gz OVHAISPZSHLEIX-ZDUSSCGKSA-N 1 2 290.392 2.123 40 0 CEABLO Cc1cncc(C[N@@H+]2CCO[C@@H](c3ccnc(C)n3)C2)c1 ZINC000257312930 190031824 /nfs/dbraw/zinc/03/18/24/190031824.db2.gz UQGFOZQNBMVRPO-MRXNPFEDSA-N 1 2 284.363 2.062 40 0 CEABLO Cc1cncc(C[N@H+]2CCO[C@@H](c3ccnc(C)n3)C2)c1 ZINC000257312930 190031825 /nfs/dbraw/zinc/03/18/25/190031825.db2.gz UQGFOZQNBMVRPO-MRXNPFEDSA-N 1 2 284.363 2.062 40 0 CEABLO Cc1cc(-c2nccn2C)nc([C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000257325939 190033904 /nfs/dbraw/zinc/03/39/04/190033904.db2.gz WVCBWFLIKOQDCG-CYBMUJFWSA-N 1 2 285.395 2.383 40 0 CEABLO Cc1cc(-c2nccn2C)nc([C@@H]2CC[N@H+](C(C)C)C2)n1 ZINC000257325939 190033905 /nfs/dbraw/zinc/03/39/05/190033905.db2.gz WVCBWFLIKOQDCG-CYBMUJFWSA-N 1 2 285.395 2.383 40 0 CEABLO O=S1(=O)c2ccccc2[C@@H]2C[N@@H+](Cc3ccoc3)C[C@H]21 ZINC000306129242 376541148 /nfs/dbraw/zinc/54/11/48/376541148.db2.gz HYGMOBPFLGXLAT-DZGCQCFKSA-N 1 2 289.356 2.035 40 0 CEABLO O=S1(=O)c2ccccc2[C@@H]2C[N@H+](Cc3ccoc3)C[C@H]21 ZINC000306129242 376541153 /nfs/dbraw/zinc/54/11/53/376541153.db2.gz HYGMOBPFLGXLAT-DZGCQCFKSA-N 1 2 289.356 2.035 40 0 CEABLO C[NH+]1CCN(c2ccc(C(=O)c3ccccc3)cn2)CC1 ZINC000072225524 256703564 /nfs/dbraw/zinc/70/35/64/256703564.db2.gz ZVVJJPXNEFEENO-UHFFFAOYSA-N 1 2 281.359 2.064 40 0 CEABLO COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2[NH3+])cc1 ZINC000044602718 394508266 /nfs/dbraw/zinc/50/82/66/394508266.db2.gz CNJVYMBBVJJDME-GOEBONIOSA-N 1 2 269.300 2.339 40 0 CEABLO CO[C@@H]1Cn2nccc2C[N@H+](Cc2cccc(F)c2)C1 ZINC000247917714 394536276 /nfs/dbraw/zinc/53/62/76/394536276.db2.gz ZRYBFNGQFFFAQS-HNNXBMFYSA-N 1 2 275.327 2.053 40 0 CEABLO CO[C@@H]1Cn2nccc2C[N@@H+](Cc2cccc(F)c2)C1 ZINC000247917714 394536278 /nfs/dbraw/zinc/53/62/78/394536278.db2.gz ZRYBFNGQFFFAQS-HNNXBMFYSA-N 1 2 275.327 2.053 40 0 CEABLO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2cccc(O)c2)C1 ZINC000022016140 171349633 /nfs/dbraw/zinc/34/96/33/171349633.db2.gz RSPKBJLYYKOYLJ-CYBMUJFWSA-N 1 2 278.352 2.274 40 0 CEABLO CCCC[N@@H+]1CCc2nc3cc(C4CC4)[nH]n3c(=O)c2C1 ZINC000072337102 176370920 /nfs/dbraw/zinc/37/09/20/176370920.db2.gz AYKYXDSNJKBFKO-UHFFFAOYSA-N 1 2 286.379 2.471 40 0 CEABLO CCCC[N@H+]1CCc2nc3cc(C4CC4)[nH]n3c(=O)c2C1 ZINC000072337102 176370922 /nfs/dbraw/zinc/37/09/22/176370922.db2.gz AYKYXDSNJKBFKO-UHFFFAOYSA-N 1 2 286.379 2.471 40 0 CEABLO CN(C)c1cc([C@@H]2CCCN2c2ccncn2)cc[nH+]1 ZINC000072380959 176387161 /nfs/dbraw/zinc/38/71/61/176387161.db2.gz MQWRBMXHVFJSLG-ZDUSSCGKSA-N 1 2 269.352 2.279 40 0 CEABLO Cc1cc(=O)cc([C@H]2CCCN2c2cc(C)[nH+]cn2)[nH]1 ZINC000072385564 301336478 /nfs/dbraw/zinc/33/64/78/301336478.db2.gz AGQUIVAQLCRLAL-CQSZACIVSA-N 1 2 270.336 2.123 40 0 CEABLO CCNc1cc(N2CCc3cc(OC)ccc3C2)nc[nH+]1 ZINC000328982911 535521854 /nfs/dbraw/zinc/52/18/54/535521854.db2.gz HDQMTNWFBNFFIT-UHFFFAOYSA-N 1 2 284.363 2.480 40 0 CEABLO CCNc1cc(N2CCc3cc(OC)ccc3C2)[nH+]cn1 ZINC000328982911 535521860 /nfs/dbraw/zinc/52/18/60/535521860.db2.gz HDQMTNWFBNFFIT-UHFFFAOYSA-N 1 2 284.363 2.480 40 0 CEABLO [NH3+][C@H](c1nnc(-c2ccncc2)[nH]1)c1ccc(F)cc1 ZINC000095533236 185006596 /nfs/dbraw/zinc/00/65/96/185006596.db2.gz HFINSPIUUKOLNC-LBPRGKRZSA-N 1 2 269.283 2.054 40 0 CEABLO [NH3+][C@H](c1n[nH]c(-c2ccncc2)n1)c1ccc(F)cc1 ZINC000095533236 185006597 /nfs/dbraw/zinc/00/65/97/185006597.db2.gz HFINSPIUUKOLNC-LBPRGKRZSA-N 1 2 269.283 2.054 40 0 CEABLO CCOc1ccc(-c2n[nH]c([C@@H](C)[NH3+])n2)cc1OCC ZINC000095534688 185007517 /nfs/dbraw/zinc/00/75/17/185007517.db2.gz VJMHQRDOAUQTBF-SECBINFHSA-N 1 2 276.340 2.289 40 0 CEABLO COC[C@H]1C[N@H+](Cc2ccsc2)Cc2ncn(C)c21 ZINC000096060183 185081085 /nfs/dbraw/zinc/08/10/85/185081085.db2.gz FXJSZLKZWSAXGA-GFCCVEGCSA-N 1 2 277.393 2.227 40 0 CEABLO COC[C@H]1C[N@@H+](Cc2ccsc2)Cc2ncn(C)c21 ZINC000096060183 185081088 /nfs/dbraw/zinc/08/10/88/185081088.db2.gz FXJSZLKZWSAXGA-GFCCVEGCSA-N 1 2 277.393 2.227 40 0 CEABLO CC[NH+]1CCN(c2c(C)cc(N)cc2Br)CC1 ZINC000045886029 362170055 /nfs/dbraw/zinc/17/00/55/362170055.db2.gz CXPPNTULBGGMRN-UHFFFAOYSA-N 1 2 298.228 2.482 40 0 CEABLO CNc1cc(C)[nH+]c([C@@H]2CCCN(c3ncccn3)C2)n1 ZINC000072356728 363131110 /nfs/dbraw/zinc/13/11/10/363131110.db2.gz VLDIPTSUTAAJRB-GFCCVEGCSA-N 1 2 284.367 2.001 40 0 CEABLO CNc1cc(C)[nH+]c([C@H]2CCCN(c3cc(C)ncn3)C2)n1 ZINC000072364147 363131379 /nfs/dbraw/zinc/13/13/79/363131379.db2.gz JEWMEOOWNFKUAO-ZDUSSCGKSA-N 1 2 298.394 2.309 40 0 CEABLO CCNc1cc(-c2cccnc2)[nH+]c(NC2CCCC2)n1 ZINC000329009003 202148002 /nfs/dbraw/zinc/14/80/02/202148002.db2.gz LUNIQVGTMCDINX-UHFFFAOYSA-N 1 2 283.379 2.169 40 0 CEABLO CCNc1nc(NCc2ccco2)cc(-c2ccncc2)[nH+]1 ZINC000329059069 202173472 /nfs/dbraw/zinc/17/34/72/202173472.db2.gz WFMOKJVDMSVSSE-UHFFFAOYSA-N 1 2 295.346 2.019 40 0 CEABLO CCCNc1nc(N(CC)CC)[nH+]c(N(CC)CC)n1 ZINC000003099662 361263862 /nfs/dbraw/zinc/26/38/62/361263862.db2.gz UGDDEEVHUCKKJA-UHFFFAOYSA-N 1 2 280.420 2.386 40 0 CEABLO O[C@@H]1C[C@@H](c2nc(C3CC3)no2)[N@H+](Cc2cccs2)C1 ZINC000015674804 361475981 /nfs/dbraw/zinc/47/59/81/361475981.db2.gz SIGHIVDHXISWAE-PWSUYJOCSA-N 1 2 291.376 2.316 40 0 biogenic,in-vitro CEABLO O[C@@H]1C[C@@H](c2nc(C3CC3)no2)[N@@H+](Cc2cccs2)C1 ZINC000015674804 361475984 /nfs/dbraw/zinc/47/59/84/361475984.db2.gz SIGHIVDHXISWAE-PWSUYJOCSA-N 1 2 291.376 2.316 40 0 biogenic,in-vitro CEABLO Cc1ccn(CCC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)n1 ZINC000019238113 361522544 /nfs/dbraw/zinc/52/25/44/361522544.db2.gz MGRCWVXJNHCXSX-UHFFFAOYSA-N 1 2 283.335 2.405 40 0 CEABLO CN1CCN(C(=O)c2cccs2)Cc2ccc[nH+]c21 ZINC000096198795 364408956 /nfs/dbraw/zinc/40/89/56/364408956.db2.gz MICAGHYBQZCDIO-UHFFFAOYSA-N 1 2 273.361 2.235 40 0 CEABLO COC[C@@H]1c2c(cnn2C)CC[N@H+]1Cc1ccsc1 ZINC000096197703 364408560 /nfs/dbraw/zinc/40/85/60/364408560.db2.gz BUFIPDXQCAIINI-CYBMUJFWSA-N 1 2 277.393 2.227 40 0 CEABLO COC[C@@H]1c2c(cnn2C)CC[N@@H+]1Cc1ccsc1 ZINC000096197703 364408567 /nfs/dbraw/zinc/40/85/67/364408567.db2.gz BUFIPDXQCAIINI-CYBMUJFWSA-N 1 2 277.393 2.227 40 0 CEABLO C[C@@H]1c2[nH+]cc(Cn3cccn3)n2CCN1Cc1ccoc1 ZINC000096201246 364410915 /nfs/dbraw/zinc/41/09/15/364410915.db2.gz KENIYNRPNJLAFK-CYBMUJFWSA-N 1 2 297.362 2.298 40 0 CEABLO Cc1nc([C@H]2COCC[N@@H+]2C2CCOCC2)cs1 ZINC000096220526 364415181 /nfs/dbraw/zinc/41/51/81/364415181.db2.gz DFBFGMNMCMHCBU-CYBMUJFWSA-N 1 2 268.382 2.004 40 0 CEABLO Cc1nc([C@H]2COCC[N@H+]2C2CCOCC2)cs1 ZINC000096220526 364415186 /nfs/dbraw/zinc/41/51/86/364415186.db2.gz DFBFGMNMCMHCBU-CYBMUJFWSA-N 1 2 268.382 2.004 40 0 CEABLO c1cc2n(n1)[C@H](COc1ccccn1)C[N@H+](CC1CC1)C2 ZINC000253595811 371530340 /nfs/dbraw/zinc/53/03/40/371530340.db2.gz JDVGEOVUDQDTIK-HNNXBMFYSA-N 1 2 284.363 2.124 40 0 CEABLO c1cc2n(n1)[C@H](COc1ccccn1)C[N@@H+](CC1CC1)C2 ZINC000253595811 371530349 /nfs/dbraw/zinc/53/03/49/371530349.db2.gz JDVGEOVUDQDTIK-HNNXBMFYSA-N 1 2 284.363 2.124 40 0 CEABLO Cc1nc(N2CCO[C@H](Cc3ccccc3)C2)cc[nH+]1 ZINC000257205685 371610833 /nfs/dbraw/zinc/61/08/33/371610833.db2.gz BADCXEQCYXJWIF-OAHLLOKOSA-N 1 2 269.348 2.233 40 0 CEABLO CCn1cc(C[NH2+]Cc2ccn(CC(C)C)n2)c(C)n1 ZINC000256051133 190003636 /nfs/dbraw/zinc/00/36/36/190003636.db2.gz HWBVBQQYPHWATG-UHFFFAOYSA-N 1 2 275.400 2.354 40 0 CEABLO CCn1cc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c(C)n1 ZINC000257213472 190013501 /nfs/dbraw/zinc/01/35/01/190013501.db2.gz CHSKOOHPETVVGI-ZDUSSCGKSA-N 1 2 273.384 2.314 40 0 CEABLO CCn1cc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c(C)n1 ZINC000257213472 190013502 /nfs/dbraw/zinc/01/35/02/190013502.db2.gz CHSKOOHPETVVGI-ZDUSSCGKSA-N 1 2 273.384 2.314 40 0 CEABLO C[C@]1(c2ncc(C[NH+]3CCSCC3)cn2)CCCCO1 ZINC000257219079 190014275 /nfs/dbraw/zinc/01/42/75/190014275.db2.gz DFMZNAOIYUIIKL-OAHLLOKOSA-N 1 2 293.436 2.441 40 0 CEABLO Cc1ccnc([C@@H]2C[N@H+](Cc3ccncc3C)CCO2)n1 ZINC000257264252 190022978 /nfs/dbraw/zinc/02/29/78/190022978.db2.gz LTPPRCRPRUZJHE-HNNXBMFYSA-N 1 2 284.363 2.062 40 0 CEABLO Cc1ccnc([C@@H]2C[N@@H+](Cc3ccncc3C)CCO2)n1 ZINC000257264252 190022979 /nfs/dbraw/zinc/02/29/79/190022979.db2.gz LTPPRCRPRUZJHE-HNNXBMFYSA-N 1 2 284.363 2.062 40 0 CEABLO CCCCc1[nH]c(CN2CCOC[C@H]2c2cc[nH]n2)c[nH+]1 ZINC000257270680 190023917 /nfs/dbraw/zinc/02/39/17/190023917.db2.gz MVFRWHLPOBIVGA-AWEZNQCLSA-N 1 2 289.383 2.049 40 0 CEABLO CCCCc1[nH]cc(CN2CCOC[C@H]2c2cc[nH]n2)[nH+]1 ZINC000257270680 190023918 /nfs/dbraw/zinc/02/39/18/190023918.db2.gz MVFRWHLPOBIVGA-AWEZNQCLSA-N 1 2 289.383 2.049 40 0 CEABLO C[N@@H+]1CCN(C(=O)c2cscn2)C[C@@H]1c1ccccc1 ZINC000257261548 190022111 /nfs/dbraw/zinc/02/21/11/190022111.db2.gz LHUIWHFSYLWNCX-CQSZACIVSA-N 1 2 287.388 2.272 40 0 CEABLO C[N@H+]1CCN(C(=O)c2cscn2)C[C@@H]1c1ccccc1 ZINC000257261548 190022112 /nfs/dbraw/zinc/02/21/12/190022112.db2.gz LHUIWHFSYLWNCX-CQSZACIVSA-N 1 2 287.388 2.272 40 0 CEABLO Cc1nccc([C@@H]2C[N@H+](Cc3ccsc3)CCO2)n1 ZINC000257263326 190022250 /nfs/dbraw/zinc/02/22/50/190022250.db2.gz LPHZSUWQESAQMY-AWEZNQCLSA-N 1 2 275.377 2.420 40 0 CEABLO Cc1nccc([C@@H]2C[N@@H+](Cc3ccsc3)CCO2)n1 ZINC000257263326 190022251 /nfs/dbraw/zinc/02/22/51/190022251.db2.gz LPHZSUWQESAQMY-AWEZNQCLSA-N 1 2 275.377 2.420 40 0 CEABLO Cc1nccc([C@H]2C[N@H+](Cc3ccsc3)CCO2)n1 ZINC000257263327 190022501 /nfs/dbraw/zinc/02/25/01/190022501.db2.gz LPHZSUWQESAQMY-CQSZACIVSA-N 1 2 275.377 2.420 40 0 CEABLO Cc1nccc([C@H]2C[N@@H+](Cc3ccsc3)CCO2)n1 ZINC000257263327 190022502 /nfs/dbraw/zinc/02/25/02/190022502.db2.gz LPHZSUWQESAQMY-CQSZACIVSA-N 1 2 275.377 2.420 40 0 CEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3ncccc3C)C2)[nH+]1 ZINC000257295546 190028336 /nfs/dbraw/zinc/02/83/36/190028336.db2.gz QYUJJLMXOBLWNO-GFCCVEGCSA-N 1 2 270.336 2.051 40 0 CEABLO CC[NH+]1CCC([N@@H+]2CC[C@H](c3[nH+]c(C)cn3C)C2)CC1 ZINC000257300402 190029985 /nfs/dbraw/zinc/02/99/85/190029985.db2.gz RUDJNQLNRVCTMV-AWEZNQCLSA-N 1 2 276.428 2.002 40 0 CEABLO CC[NH+]1CCC([N@H+]2CC[C@H](c3[nH+]c(C)cn3C)C2)CC1 ZINC000257300402 190029986 /nfs/dbraw/zinc/02/99/86/190029986.db2.gz RUDJNQLNRVCTMV-AWEZNQCLSA-N 1 2 276.428 2.002 40 0 CEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3ncccc3C)C2)[nH+]1 ZINC000257319091 190033597 /nfs/dbraw/zinc/03/35/97/190033597.db2.gz VQSGPSXNNKFTQD-CYBMUJFWSA-N 1 2 284.363 2.062 40 0 CEABLO CC(C)CNC(=O)c1cc([C@@H]2CCC[N@H+](C)C2)ccn1 ZINC000257324688 190034346 /nfs/dbraw/zinc/03/43/46/190034346.db2.gz WPSDKOSSOVDNOO-CQSZACIVSA-N 1 2 275.396 2.277 40 0 CEABLO CC(C)CNC(=O)c1cc([C@@H]2CCC[N@@H+](C)C2)ccn1 ZINC000257324688 190034347 /nfs/dbraw/zinc/03/43/47/190034347.db2.gz WPSDKOSSOVDNOO-CQSZACIVSA-N 1 2 275.396 2.277 40 0 CEABLO CCn1nc(NC(=O)[C@@H]2Cc3ccccc3C[N@@H+]2C)cc1C ZINC000019524143 394468243 /nfs/dbraw/zinc/46/82/43/394468243.db2.gz UIYJKIOXNLOXBB-HNNXBMFYSA-N 1 2 298.390 2.207 40 0 CEABLO CCn1nc(NC(=O)[C@@H]2Cc3ccccc3C[N@H+]2C)cc1C ZINC000019524143 394468246 /nfs/dbraw/zinc/46/82/46/394468246.db2.gz UIYJKIOXNLOXBB-HNNXBMFYSA-N 1 2 298.390 2.207 40 0 CEABLO O=CN1CCCC[C@@H]1c1ccc(N2CCCC2)[nH+]c1 ZINC000072215955 394592773 /nfs/dbraw/zinc/59/27/73/394592773.db2.gz RVXJYFBNEKFMGK-CQSZACIVSA-N 1 2 259.353 2.365 40 0 CEABLO Cc1ccc(OCC(=O)NCCCn2cc[nH+]c2)cc1C ZINC000007343538 170277730 /nfs/dbraw/zinc/27/77/30/170277730.db2.gz CGOCAVUJRMGRFY-UHFFFAOYSA-N 1 2 287.363 2.085 40 0 CEABLO CCCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022213537 171374393 /nfs/dbraw/zinc/37/43/93/171374393.db2.gz CZGXDMSLUOLDEX-UHFFFAOYSA-N 1 2 262.353 2.257 40 0 CEABLO CC(C)(C)OC(=O)NC1C[NH+](Cc2ccccc2)C1 ZINC000035269700 172091713 /nfs/dbraw/zinc/09/17/13/172091713.db2.gz WWOIZPTXNMBINN-UHFFFAOYSA-N 1 2 262.353 2.396 40 0 CEABLO O=C(C1CCC1)N1CCC[C@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378495 176385951 /nfs/dbraw/zinc/38/59/51/176385951.db2.gz SZZJFTZTVHAMJA-AWEZNQCLSA-N 1 2 297.362 2.126 40 0 CEABLO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2ccoc2)C1 ZINC000306145826 277189195 /nfs/dbraw/zinc/18/91/95/277189195.db2.gz RSYKFTWUACGNCI-LLVKDONJSA-N 1 2 252.314 2.161 40 0 CEABLO [NH3+][C@H](c1nnc(-c2ccc(O)cc2)[nH]1)c1ccc(F)cc1 ZINC000095533267 185005932 /nfs/dbraw/zinc/00/59/32/185005932.db2.gz BHPXBSYAHRCSEM-ZDUSSCGKSA-N 1 2 284.294 2.365 40 0 CEABLO [NH3+][C@H](c1nc(-c2ccc(O)cc2)n[nH]1)c1ccc(F)cc1 ZINC000095533267 185005933 /nfs/dbraw/zinc/00/59/33/185005933.db2.gz BHPXBSYAHRCSEM-ZDUSSCGKSA-N 1 2 284.294 2.365 40 0 CEABLO CCOC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000033722429 361784295 /nfs/dbraw/zinc/78/42/95/361784295.db2.gz KOMXYBRWLYHUSY-VIFPVBQESA-N 1 2 258.115 2.012 40 0 CEABLO CCn1cc2c(n1)[C@@H](COC)C[N@@H+](Cc1ccccn1)C2 ZINC000096059889 185081567 /nfs/dbraw/zinc/08/15/67/185081567.db2.gz LOZHHLRWIVRYCZ-CQSZACIVSA-N 1 2 286.379 2.044 40 0 CEABLO CCn1cc2c(n1)[C@@H](COC)C[N@H+](Cc1ccccn1)C2 ZINC000096059889 185081568 /nfs/dbraw/zinc/08/15/68/185081568.db2.gz LOZHHLRWIVRYCZ-CQSZACIVSA-N 1 2 286.379 2.044 40 0 CEABLO O=C(Nc1cccnc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000020238795 343375700 /nfs/dbraw/zinc/37/57/00/343375700.db2.gz UYNOVFAIPZHTJH-UHFFFAOYSA-N 1 2 297.358 2.166 40 0 CEABLO CO[C@H]1CCOC2(C[NH+](Cc3ccc(C)s3)C2)C1 ZINC000585105413 345006122 /nfs/dbraw/zinc/00/61/22/345006122.db2.gz WFYUPRALQZMKKB-LBPRGKRZSA-N 1 2 267.394 2.436 40 0 CEABLO CCCCOP(=O)([NH+]=C(N)N)OCCCC ZINC000001615653 361212741 /nfs/dbraw/zinc/21/27/41/361212741.db2.gz RJRCZTWPCPVDFK-UHFFFAOYSA-N 1 2 251.267 2.211 40 0 CEABLO O=C(c1cnco1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000082315362 363763671 /nfs/dbraw/zinc/76/36/71/363763671.db2.gz IYOOCLSQSJERFF-QPJJXVBHSA-N 1 2 297.358 2.146 40 0 CEABLO C[C@H](Oc1cccc2ccccc21)C(=O)N1CC[NH+](C)CC1 ZINC000013709286 361438705 /nfs/dbraw/zinc/43/87/05/361438705.db2.gz UBWWJIBWBRUOKW-AWEZNQCLSA-N 1 2 298.386 2.381 40 0 CEABLO CC[C@@](C)(C(=O)OC)[NH+]1CCN(c2ccccc2)CC1 ZINC000022123537 361587085 /nfs/dbraw/zinc/58/70/85/361587085.db2.gz OEDSTNSQJMKFFW-INIZCTEOSA-N 1 2 276.380 2.150 40 0 CEABLO Cc1cccc(C[NH+]2CC3(CCN3Cc3cccnc3)C2)n1 ZINC000096241276 364415806 /nfs/dbraw/zinc/41/58/06/364415806.db2.gz UYUFLSPUXBLUOV-UHFFFAOYSA-N 1 2 294.402 2.245 40 0 CEABLO CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(C)o1 ZINC000096260278 364418081 /nfs/dbraw/zinc/41/80/81/364418081.db2.gz YBGXCOXSECHBSV-HNNXBMFYSA-N 1 2 289.379 2.457 40 0 CEABLO CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(C)o1 ZINC000096260278 364418088 /nfs/dbraw/zinc/41/80/88/364418088.db2.gz YBGXCOXSECHBSV-HNNXBMFYSA-N 1 2 289.379 2.457 40 0 CEABLO CN(N)c1ccc2cc(Br)ccc2[nH+]1 ZINC000199546608 370149075 /nfs/dbraw/zinc/14/90/75/370149075.db2.gz YOTCUHUIUBOWSU-UHFFFAOYSA-N 1 2 252.115 2.307 40 0 CEABLO CN(C)c1[nH+]c(C(=O)C(F)(F)F)c2ccccn21 ZINC000218890394 370214887 /nfs/dbraw/zinc/21/48/87/370214887.db2.gz GSWKPKVLXKKPCM-UHFFFAOYSA-N 1 2 257.215 2.145 40 0 CEABLO CCO[C@H]1CCOC2(C[NH+](Cc3ccccc3OC)C2)C1 ZINC000248129102 371164176 /nfs/dbraw/zinc/16/41/76/371164176.db2.gz JNXAVTWQNCSKQN-HNNXBMFYSA-N 1 2 291.391 2.465 40 0 CEABLO CN(C(=O)CC1CC1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257211331 371609766 /nfs/dbraw/zinc/60/97/66/371609766.db2.gz BYMRPKMZQXCREW-AWEZNQCLSA-N 1 2 273.380 2.309 40 0 CEABLO COc1ccc(C[C@@H]2CN(c3cc[nH+]c(C)n3)CCO2)cc1 ZINC000257284791 371611019 /nfs/dbraw/zinc/61/10/19/371611019.db2.gz PEIBNFUBPNZZSG-MRXNPFEDSA-N 1 2 299.374 2.242 40 0 CEABLO Cc1c[nH]c([C@H]2CCCN2C(=O)COc2ccccc2)[nH+]1 ZINC000257215308 190012850 /nfs/dbraw/zinc/01/28/50/190012850.db2.gz CPNYBONUOQLAKA-CQSZACIVSA-N 1 2 285.347 2.461 40 0 CEABLO Cc1ccc(C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC000257218286 190013699 /nfs/dbraw/zinc/01/36/99/190013699.db2.gz DCNUKXPZMKVPFW-INIZCTEOSA-N 1 2 298.390 2.068 40 0 CEABLO Cc1cc(CC2CCN(C(=O)c3ccn(C)n3)CC2)cc[nH+]1 ZINC000257268681 190023992 /nfs/dbraw/zinc/02/39/92/190023992.db2.gz MMSOXKAAXCGMKX-UHFFFAOYSA-N 1 2 298.390 2.218 40 0 CEABLO CN(C)c1cc([C@H]2CCCN2C(=O)c2cccn2C)cc[nH+]1 ZINC000257285785 190026957 /nfs/dbraw/zinc/02/69/57/190026957.db2.gz PIWXGYDKQBKXDO-CQSZACIVSA-N 1 2 298.390 2.463 40 0 CEABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3ncccc3C)C2)[nH+]1 ZINC000257319092 190033655 /nfs/dbraw/zinc/03/36/55/190033655.db2.gz VQSGPSXNNKFTQD-ZDUSSCGKSA-N 1 2 284.363 2.062 40 0 CEABLO Cc1cc(N2CCC[C@H](c3ncncc3C)C2)nc[nH+]1 ZINC000072385494 394598539 /nfs/dbraw/zinc/59/85/39/394598539.db2.gz OZBYAKLIESAYCA-ZDUSSCGKSA-N 1 2 269.352 2.267 40 0 CEABLO C[N@@H+]1CCC[C@@H]1c1csc(Nc2ncccn2)n1 ZINC000072384589 176388609 /nfs/dbraw/zinc/38/86/09/176388609.db2.gz MSXVZYZALHYLRV-SNVBAGLBSA-N 1 2 261.354 2.443 40 0 CEABLO C[N@H+]1CCC[C@@H]1c1csc(Nc2ncccn2)n1 ZINC000072384589 176388610 /nfs/dbraw/zinc/38/86/10/176388610.db2.gz MSXVZYZALHYLRV-SNVBAGLBSA-N 1 2 261.354 2.443 40 0 CEABLO CNc1ncccc1C[N@@H+]1CCO[C@H](c2ccc(C)cn2)C1 ZINC000072386200 176391323 /nfs/dbraw/zinc/39/13/23/176391323.db2.gz VOZBBUOOJIMVPC-INIZCTEOSA-N 1 2 298.390 2.400 40 0 CEABLO CNc1ncccc1C[N@H+]1CCO[C@H](c2ccc(C)cn2)C1 ZINC000072386200 176391325 /nfs/dbraw/zinc/39/13/25/176391325.db2.gz VOZBBUOOJIMVPC-INIZCTEOSA-N 1 2 298.390 2.400 40 0 CEABLO O=C1C[NH2+][C@H](c2ccccc2)[C@@H](c2ccccc2)N1 ZINC000061952973 260235176 /nfs/dbraw/zinc/23/51/76/260235176.db2.gz OXNZYVLTFNKTNK-HZPDHXFCSA-N 1 2 252.317 2.188 40 0 CEABLO CC(C)(C)OC(=O)N1C=C(Br)S[C@H]1[NH3+] ZINC000071617437 277178854 /nfs/dbraw/zinc/17/88/54/277178854.db2.gz IYRVRJUHXNFWMF-LURJTMIESA-N 1 2 281.175 2.406 40 0 CEABLO Cc1nc(N(C)C)cc(C2CCN(c3ncccn3)CC2)[nH+]1 ZINC000072364026 281889017 /nfs/dbraw/zinc/88/90/17/281889017.db2.gz PDMWLLRCGGJARH-UHFFFAOYSA-N 1 2 298.394 2.025 40 0 CEABLO O=C(C[NH+]1Cc2ccccc2C1)NCc1ccccc1 ZINC000171884167 534558317 /nfs/dbraw/zinc/55/83/17/534558317.db2.gz PIYPBTYWIAHDDW-UHFFFAOYSA-N 1 2 266.344 2.319 40 0 CEABLO Cc1ccccc1CSCC(=O)N1CC[NH+](C)CC1 ZINC000008571111 343362925 /nfs/dbraw/zinc/36/29/25/343362925.db2.gz WIWFNERAIPPUPL-UHFFFAOYSA-N 1 2 278.421 2.002 40 0 CEABLO Cc1ccccc1C[C@H]1CC[N@H+](Cc2ncc[nH]2)C[C@@H]1O ZINC000585279593 345009832 /nfs/dbraw/zinc/00/98/32/345009832.db2.gz VVUMRIVARZBQIV-CVEARBPZSA-N 1 2 285.391 2.144 40 0 CEABLO Cc1ccccc1C[C@H]1CC[N@@H+](Cc2ncc[nH]2)C[C@@H]1O ZINC000585279593 345009835 /nfs/dbraw/zinc/00/98/35/345009835.db2.gz VVUMRIVARZBQIV-CVEARBPZSA-N 1 2 285.391 2.144 40 0 CEABLO CO[C@]1(COc2ccccc2)CC[N@H+](Cc2ncc[nH]2)C1 ZINC000585274842 345009991 /nfs/dbraw/zinc/00/99/91/345009991.db2.gz PFPGWMVMYMSJTJ-MRXNPFEDSA-N 1 2 287.363 2.080 40 0 CEABLO CO[C@]1(COc2ccccc2)CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000585274842 345009992 /nfs/dbraw/zinc/00/99/92/345009992.db2.gz PFPGWMVMYMSJTJ-MRXNPFEDSA-N 1 2 287.363 2.080 40 0 CEABLO CC[N@H+](CCO)CC(=O)c1ccc(Cl)c(Cl)c1 ZINC000001665667 361215253 /nfs/dbraw/zinc/21/52/53/361215253.db2.gz BWTZLWREGKSRMU-UHFFFAOYSA-N 1 2 276.163 2.490 40 0 CEABLO CC[N@@H+](CCO)CC(=O)c1ccc(Cl)c(Cl)c1 ZINC000001665667 361215258 /nfs/dbraw/zinc/21/52/58/361215258.db2.gz BWTZLWREGKSRMU-UHFFFAOYSA-N 1 2 276.163 2.490 40 0 CEABLO CCOCc1[nH+]c(N)nc(N)c1-c1cccc(Cl)c1 ZINC000013283456 361423774 /nfs/dbraw/zinc/42/37/74/361423774.db2.gz MFUZBQCESYQTHT-UHFFFAOYSA-N 1 2 278.743 2.498 40 0 CEABLO Cc1cc(C)c2nc3c(cc2c1)C[N@@H+](CCO)CCO3 ZINC000019568352 361543313 /nfs/dbraw/zinc/54/33/13/361543313.db2.gz NJOUWOIVHZQCHL-UHFFFAOYSA-N 1 2 272.348 2.038 40 0 CEABLO Cc1cc(C)c2nc3c(cc2c1)C[N@H+](CCO)CCO3 ZINC000019568352 361543317 /nfs/dbraw/zinc/54/33/17/361543317.db2.gz NJOUWOIVHZQCHL-UHFFFAOYSA-N 1 2 272.348 2.038 40 0 CEABLO COc1cccc(C[NH2+]Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000019565669 361543759 /nfs/dbraw/zinc/54/37/59/361543759.db2.gz IDMXNWVBLIONMU-UHFFFAOYSA-N 1 2 295.342 2.222 40 0 CEABLO CCn1c(C)[nH+]c2cc(NC(=O)c3cnn(C)c3)ccc21 ZINC000019657659 361546925 /nfs/dbraw/zinc/54/69/25/361546925.db2.gz PJRPYGBJFIZGQU-UHFFFAOYSA-N 1 2 283.335 2.350 40 0 CEABLO C[C@@H](COC(=O)c1ccccc1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000031939036 361723236 /nfs/dbraw/zinc/72/32/36/361723236.db2.gz RSLYEGOJUKWGJL-AEGPPILISA-N 1 2 275.348 2.095 40 0 CEABLO C[C@@H](COC(=O)c1ccccc1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000031939036 361723240 /nfs/dbraw/zinc/72/32/40/361723240.db2.gz RSLYEGOJUKWGJL-AEGPPILISA-N 1 2 275.348 2.095 40 0 CEABLO Nc1cc(C(F)(F)F)c[nH+]c1NC[C@@H]1CCCO1 ZINC000095096666 364339924 /nfs/dbraw/zinc/33/99/24/364339924.db2.gz HFPKOWRMZYMMTE-QMMMGPOBSA-N 1 2 261.247 2.274 40 0 CEABLO Cc1cc(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc[nH+]1 ZINC000098214186 364538153 /nfs/dbraw/zinc/53/81/53/364538153.db2.gz ZGTDOCGOWZXXGI-NSHDSACASA-N 1 2 278.356 2.206 40 0 CEABLO c1cncc(C[NH+]2CC3(C2)OCC[C@@H]3COCC2CC2)c1 ZINC000247886324 371145024 /nfs/dbraw/zinc/14/50/24/371145024.db2.gz RUWHFINXKODEKH-MRXNPFEDSA-N 1 2 288.391 2.099 40 0 CEABLO CCCn1cc(C[N@@H+]2CCC[C@@H]2c2cnccn2)cn1 ZINC000257207577 190011427 /nfs/dbraw/zinc/01/14/27/190011427.db2.gz BIJHSTCXGKKHNI-OAHLLOKOSA-N 1 2 271.368 2.420 40 0 CEABLO CCCn1cc(C[N@H+]2CCC[C@@H]2c2cnccn2)cn1 ZINC000257207577 190011428 /nfs/dbraw/zinc/01/14/28/190011428.db2.gz BIJHSTCXGKKHNI-OAHLLOKOSA-N 1 2 271.368 2.420 40 0 CEABLO Cc1cn(C)c([C@H]2CCN(C(=O)COc3ccccc3)C2)[nH+]1 ZINC000257208785 190012641 /nfs/dbraw/zinc/01/26/41/190012641.db2.gz BNOMJKMJJRKBKN-AWEZNQCLSA-N 1 2 299.374 2.123 40 0 CEABLO Cc1ccncc1C[N@@H+]1CCO[C@H](c2ccnc(C)n2)C1 ZINC000257217925 190013614 /nfs/dbraw/zinc/01/36/14/190013614.db2.gz DBDGGJQSWHLQCU-INIZCTEOSA-N 1 2 284.363 2.062 40 0 CEABLO Cc1ccncc1C[N@H+]1CCO[C@H](c2ccnc(C)n2)C1 ZINC000257217925 190013615 /nfs/dbraw/zinc/01/36/15/190013615.db2.gz DBDGGJQSWHLQCU-INIZCTEOSA-N 1 2 284.363 2.062 40 0 CEABLO COc1ccccc1CC(=O)N1CC[C@@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257231457 190016089 /nfs/dbraw/zinc/01/60/89/190016089.db2.gz GGTUKUYBHVEPMO-CQSZACIVSA-N 1 2 299.374 2.285 40 0 CEABLO CC(=O)N1CC[N@H+](Cc2ccccn2)C[C@H]1c1ccccc1 ZINC000257221061 190014495 /nfs/dbraw/zinc/01/44/95/190014495.db2.gz DNIJNVGXIGZDGG-SFHVURJKSA-N 1 2 295.386 2.487 40 0 CEABLO CC(=O)N1CC[N@@H+](Cc2ccccn2)C[C@H]1c1ccccc1 ZINC000257221061 190014496 /nfs/dbraw/zinc/01/44/96/190014496.db2.gz DNIJNVGXIGZDGG-SFHVURJKSA-N 1 2 295.386 2.487 40 0 CEABLO CCn1cc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cn1 ZINC000257245390 190019447 /nfs/dbraw/zinc/01/94/47/190019447.db2.gz IPGVIWANMNDLMT-CQSZACIVSA-N 1 2 259.357 2.353 40 0 CEABLO CCn1cc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cn1 ZINC000257245390 190019448 /nfs/dbraw/zinc/01/94/48/190019448.db2.gz IPGVIWANMNDLMT-CQSZACIVSA-N 1 2 259.357 2.353 40 0 CEABLO CCCn1cc[nH+]c1CN1CCO[C@H](c2ccccn2)C1 ZINC000257260297 190022728 /nfs/dbraw/zinc/02/27/28/190022728.db2.gz LCFLPOAHHLFMHY-HNNXBMFYSA-N 1 2 286.379 2.262 40 0 CEABLO CC[NH+]1CCC([N@@H+]2CC[C@@H](c3[nH+]c(C)cn3C)C2)CC1 ZINC000257300403 190029393 /nfs/dbraw/zinc/02/93/93/190029393.db2.gz RUDJNQLNRVCTMV-CQSZACIVSA-N 1 2 276.428 2.002 40 0 CEABLO CC[NH+]1CCC([N@H+]2CC[C@@H](c3[nH+]c(C)cn3C)C2)CC1 ZINC000257300403 190029394 /nfs/dbraw/zinc/02/93/94/190029394.db2.gz RUDJNQLNRVCTMV-CQSZACIVSA-N 1 2 276.428 2.002 40 0 CEABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2ccnn2C(C)C)[nH+]1 ZINC000257335513 190036486 /nfs/dbraw/zinc/03/64/86/190036486.db2.gz YKMJCARLJHCXCV-LBPRGKRZSA-N 1 2 287.367 2.473 40 0 CEABLO Cc1ccc2[nH]c(C[C@H]3C[NH2+]CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289358 379129518 /nfs/dbraw/zinc/12/95/18/379129518.db2.gz RCNWXOWYBMOMKU-RYUDHWBXSA-N 1 2 287.363 2.114 40 0 biogenic,in-vitro CEABLO C[NH+](C)CN1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000032209679 394488290 /nfs/dbraw/zinc/48/82/90/394488290.db2.gz MNCJXCACDYZJQF-FLIBITNWSA-N 1 2 262.334 2.242 40 0 CEABLO Cc1cc(NC2CC3(C2)CCN(c2ncccn2)C3)nc[nH+]1 ZINC000257233641 394595554 /nfs/dbraw/zinc/59/55/54/394595554.db2.gz GQBYRXZQMIKGFW-UHFFFAOYSA-N 1 2 296.378 2.046 40 0 CEABLO COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2[NH3+])cc1 ZINC000045484875 286365197 /nfs/dbraw/zinc/36/51/97/286365197.db2.gz CNJVYMBBVJJDME-ZBFHGGJFSA-N 1 2 269.300 2.339 40 0 CEABLO CCC[NH+](CCC)CC(=O)NC(=O)c1ccccc1 ZINC000004887641 170036310 /nfs/dbraw/zinc/03/63/10/170036310.db2.gz KKYLWJKRFHPVJK-UHFFFAOYSA-N 1 2 262.353 2.065 40 0 CEABLO Cc1nn(CCn2c[nH+]cc2-c2cn(C)nc2C)c(C)c1C ZINC000019719428 170843049 /nfs/dbraw/zinc/84/30/49/170843049.db2.gz IJKFSAPFBYLVIB-UHFFFAOYSA-N 1 2 298.394 2.414 40 0 CEABLO Cn1cncc1C[N@@H+]1CCCC[C@H]1c1ccn2nccc2n1 ZINC000257288008 303026961 /nfs/dbraw/zinc/02/69/61/303026961.db2.gz PSJSIBRQSVBUSE-HNNXBMFYSA-N 1 2 296.378 2.190 40 0 CEABLO Cn1cncc1C[N@H+]1CCCC[C@H]1c1ccn2nccc2n1 ZINC000257288008 303026964 /nfs/dbraw/zinc/02/69/64/303026964.db2.gz PSJSIBRQSVBUSE-HNNXBMFYSA-N 1 2 296.378 2.190 40 0 CEABLO COc1ccc([C@H]([NH3+])c2nnc(-c3ccc(O)cc3)[nH]2)cc1 ZINC000095533674 185005796 /nfs/dbraw/zinc/00/57/96/185005796.db2.gz DHTWSVIQMPHILG-AWEZNQCLSA-N 1 2 296.330 2.234 40 0 CEABLO COc1ccc([C@H]([NH3+])c2nc(-c3ccc(O)cc3)n[nH]2)cc1 ZINC000095533674 185005797 /nfs/dbraw/zinc/00/57/97/185005797.db2.gz DHTWSVIQMPHILG-AWEZNQCLSA-N 1 2 296.330 2.234 40 0 CEABLO c1cncc(C[N@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)c1 ZINC000096041586 185070361 /nfs/dbraw/zinc/07/03/61/185070361.db2.gz ZUJFEVZLZOJXPV-GVDBMIGSSA-N 1 2 288.391 2.240 40 0 CEABLO c1cncc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)c1 ZINC000096041586 185070362 /nfs/dbraw/zinc/07/03/62/185070362.db2.gz ZUJFEVZLZOJXPV-GVDBMIGSSA-N 1 2 288.391 2.240 40 0 CEABLO CCO[C@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1cccc(C)n1 ZINC000096041972 185070700 /nfs/dbraw/zinc/07/07/00/185070700.db2.gz UOJMEBKBNWDVND-HRCADAONSA-N 1 2 276.380 2.158 40 0 CEABLO CCO[C@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1cccc(C)n1 ZINC000096041972 185070702 /nfs/dbraw/zinc/07/07/02/185070702.db2.gz UOJMEBKBNWDVND-HRCADAONSA-N 1 2 276.380 2.158 40 0 CEABLO CCCC[C@@H](CC)[C@@H]1OC[C@H](C[NH+]2CCOCC2)O1 ZINC000036046432 361825117 /nfs/dbraw/zinc/82/51/17/361825117.db2.gz WTORLAHASRLLDB-QLFBSQMISA-N 1 2 271.401 2.277 40 0 CEABLO CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CC[NH+](C)CC1 ZINC000044949075 362157405 /nfs/dbraw/zinc/15/74/05/362157405.db2.gz NSOHYKQAFWNRNL-HNNXBMFYSA-N 1 2 290.407 2.235 40 0 CEABLO Cc1nc(N2CCC(c3ccnc4ccnn43)CC2)cc[nH+]1 ZINC000257319456 136594410 /nfs/dbraw/zinc/59/44/10/136594410.db2.gz VSQIPWNHEQAZMZ-UHFFFAOYSA-N 1 2 294.362 2.212 40 0 CEABLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)C1CCCC1 ZINC000131210145 366030970 /nfs/dbraw/zinc/03/09/70/366030970.db2.gz KKISIDOUNKZUQD-AWEZNQCLSA-N 1 2 273.380 2.357 40 0 CEABLO Cc1noc(C2(C)CCN(c3cc[nH+]c(C)n3)CC2)n1 ZINC000072385863 363132753 /nfs/dbraw/zinc/13/27/53/363132753.db2.gz CSSQPEWQJUTHKE-UHFFFAOYSA-N 1 2 273.340 2.035 40 0 CEABLO CNc1nc(Nc2cc(F)ccc2F)cc(C2CC2)[nH+]1 ZINC000329017326 202153076 /nfs/dbraw/zinc/15/30/76/202153076.db2.gz NKPZMIFXCZVKON-UHFFFAOYSA-N 1 2 276.290 2.261 40 0 CEABLO CCCn1nc(C)cc1C[NH2+]Cc1ccn(CC)n1 ZINC000256049462 190002377 /nfs/dbraw/zinc/00/23/77/190002377.db2.gz AAVRXPDOLDCVTB-UHFFFAOYSA-N 1 2 261.373 2.108 40 0 CEABLO COCCC(=O)N1CCC(Cc2cc[nH+]c(C)c2)CC1 ZINC000257242346 190018819 /nfs/dbraw/zinc/01/88/19/190018819.db2.gz ICBDTHMINOZBSU-UHFFFAOYSA-N 1 2 276.380 2.208 40 0 CEABLO CNc1ncc(C[N@@H+]2CCCC[C@H]2c2ccncn2)cn1 ZINC000257263641 190022418 /nfs/dbraw/zinc/02/24/18/190022418.db2.gz LQVGHTUEGFSVBK-AWEZNQCLSA-N 1 2 284.367 2.036 40 0 CEABLO CNc1ncc(C[N@H+]2CCCC[C@H]2c2ccncn2)cn1 ZINC000257263641 190022419 /nfs/dbraw/zinc/02/24/19/190022419.db2.gz LQVGHTUEGFSVBK-AWEZNQCLSA-N 1 2 284.367 2.036 40 0 CEABLO Cc1c[nH]c([C@@H]2CCN(S(=O)(=O)C3CCCCC3)C2)[nH+]1 ZINC000257277454 190025697 /nfs/dbraw/zinc/02/56/97/190025697.db2.gz NYARZCGXQIJRNN-GFCCVEGCSA-N 1 2 297.424 2.170 40 0 CEABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3cccc(C)n3)C2)[nH+]1 ZINC000257317621 190032987 /nfs/dbraw/zinc/03/29/87/190032987.db2.gz VKNMSLKGUSYVQS-ZDUSSCGKSA-N 1 2 284.363 2.062 40 0 CEABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3cncs3)C2)[nH+]1 ZINC000257324964 190034114 /nfs/dbraw/zinc/03/41/14/190034114.db2.gz WQYBMDGVFHTPIY-JTQLQIEISA-N 1 2 276.365 2.194 40 0 CEABLO Cc1nc([C@@H]2C[N@H+](Cc3cccs3)CCO2)cc(=O)[nH]1 ZINC000257326687 190034566 /nfs/dbraw/zinc/03/45/66/190034566.db2.gz WYEVPEOPWRACNP-ZDUSSCGKSA-N 1 2 291.376 2.126 40 0 CEABLO Cc1nc([C@@H]2C[N@@H+](Cc3cccs3)CCO2)cc(=O)[nH]1 ZINC000257326687 190034567 /nfs/dbraw/zinc/03/45/67/190034567.db2.gz WYEVPEOPWRACNP-ZDUSSCGKSA-N 1 2 291.376 2.126 40 0 CEABLO Cc1nc(C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cs1 ZINC000257332527 190035873 /nfs/dbraw/zinc/03/58/73/190035873.db2.gz XXRCJUBVNKTNHO-HUUCEWRRSA-N 1 2 290.388 2.076 40 0 CEABLO Cc1nc(C[N@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cs1 ZINC000257332527 190035874 /nfs/dbraw/zinc/03/58/74/190035874.db2.gz XXRCJUBVNKTNHO-HUUCEWRRSA-N 1 2 290.388 2.076 40 0 CEABLO CNc1cc([C@H]2CCCN2c2cc(C)[nH+]cn2)nc(C)n1 ZINC000257342467 190037293 /nfs/dbraw/zinc/03/72/93/190037293.db2.gz ZOTDAUGIGUBSJG-CYBMUJFWSA-N 1 2 284.367 2.267 40 0 CEABLO C[C@]1(c2ccnc3ccnn32)CCC[N@@H+]1Cc1cnccn1 ZINC000257221919 400317261 /nfs/dbraw/zinc/31/72/61/400317261.db2.gz DRDHIVWUMAPCGM-MRXNPFEDSA-N 1 2 294.362 2.031 40 0 CEABLO C[C@]1(c2ccnc3ccnn32)CCC[N@H+]1Cc1cnccn1 ZINC000257221919 400317264 /nfs/dbraw/zinc/31/72/64/400317264.db2.gz DRDHIVWUMAPCGM-MRXNPFEDSA-N 1 2 294.362 2.031 40 0 CEABLO Cc1nc(Nc2nncs2)cc([C@H]2CCC[N@H+]2C)n1 ZINC000072360118 176376867 /nfs/dbraw/zinc/37/68/67/176376867.db2.gz LLSHHSGTUHWWHG-SNVBAGLBSA-N 1 2 276.369 2.147 40 0 CEABLO Cc1nc(Nc2nncs2)cc([C@H]2CCC[N@@H+]2C)n1 ZINC000072360118 176376869 /nfs/dbraw/zinc/37/68/69/176376869.db2.gz LLSHHSGTUHWWHG-SNVBAGLBSA-N 1 2 276.369 2.147 40 0 CEABLO Cc1cc(N2CC[C@H](c3nn(C)c4ncccc34)C2)nc[nH+]1 ZINC000072364114 176378710 /nfs/dbraw/zinc/37/87/10/176378710.db2.gz LPFBFLUUNBLVFM-LBPRGKRZSA-N 1 2 294.362 2.061 40 0 CEABLO CNc1cc(N2Cc3ccccc3C[C@@H]2C)nc[nH+]1 ZINC000328987000 277302248 /nfs/dbraw/zinc/30/22/48/277302248.db2.gz HZUIQQUAXDDVQA-NSHDSACASA-N 1 2 254.337 2.470 40 0 CEABLO CNc1cc(N2Cc3ccccc3C[C@@H]2C)[nH+]cn1 ZINC000328987000 277302250 /nfs/dbraw/zinc/30/22/50/277302250.db2.gz HZUIQQUAXDDVQA-NSHDSACASA-N 1 2 254.337 2.470 40 0 CEABLO CNc1nccnc1[C@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000257220063 277306043 /nfs/dbraw/zinc/30/60/43/277306043.db2.gz DJJGNIORLPEPFW-LBPRGKRZSA-N 1 2 284.367 2.001 40 0 CEABLO Cc1ncc(C[N@@H+]2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)cn1 ZINC000019287186 279152586 /nfs/dbraw/zinc/15/25/86/279152586.db2.gz RPJVEQCKAHAXDC-HZPDHXFCSA-N 1 2 294.358 2.020 40 0 CEABLO Cc1ncc(C[N@H+]2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)cn1 ZINC000019287186 279152590 /nfs/dbraw/zinc/15/25/90/279152590.db2.gz RPJVEQCKAHAXDC-HZPDHXFCSA-N 1 2 294.358 2.020 40 0 CEABLO O=S1(=O)c2ccccc2[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000306130038 280352419 /nfs/dbraw/zinc/35/24/19/280352419.db2.gz IUOWOULZVOIKGW-ZFWWWQNUSA-N 1 2 289.356 2.035 40 0 CEABLO O=S1(=O)c2ccccc2[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000306130038 280352421 /nfs/dbraw/zinc/35/24/21/280352421.db2.gz IUOWOULZVOIKGW-ZFWWWQNUSA-N 1 2 289.356 2.035 40 0 CEABLO Cc1ccc(-n2ncc3c2nc[nH+]c3N(C)C)cc1 ZINC000017052428 280749101 /nfs/dbraw/zinc/74/91/01/280749101.db2.gz YCCWMPHTQBGWFB-UHFFFAOYSA-N 1 2 253.309 2.190 40 0 CEABLO CCN(CC)c1nc(N2CCOCC2)c2ccccc2[nH+]1 ZINC000004186317 535689131 /nfs/dbraw/zinc/68/91/31/535689131.db2.gz DMRAGQHZSUOOCU-UHFFFAOYSA-N 1 2 286.379 2.313 40 0 CEABLO Cc1cc(C)cc(OCC(=O)NCCCn2cc[nH+]c2)c1 ZINC000014401649 230371535 /nfs/dbraw/zinc/37/15/35/230371535.db2.gz LLCLUMAGMYCGNM-UHFFFAOYSA-N 1 2 287.363 2.085 40 0 CEABLO CCOC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000033722427 361784438 /nfs/dbraw/zinc/78/44/38/361784438.db2.gz KOMXYBRWLYHUSY-SECBINFHSA-N 1 2 258.115 2.012 40 0 CEABLO CCOC[C@H]1Cn2cc[nH+]c2CN(Cc2nccs2)C1 ZINC000096059120 185078702 /nfs/dbraw/zinc/07/87/02/185078702.db2.gz PQDOMEDMBSAOFC-GFCCVEGCSA-N 1 2 292.408 2.008 40 0 CEABLO CNc1cc(C2CCN(c3cnccn3)CC2)[nH+]c(C)n1 ZINC000072363825 363131409 /nfs/dbraw/zinc/13/14/09/363131409.db2.gz ZJKFXYQTMHSODP-UHFFFAOYSA-N 1 2 284.367 2.001 40 0 CEABLO Cc1ccnc(C2CCN(c3cc[nH+]c(C)n3)CC2)n1 ZINC000072364322 363131790 /nfs/dbraw/zinc/13/17/90/363131790.db2.gz OFOFUEZKJGSYIW-UHFFFAOYSA-N 1 2 269.352 2.267 40 0 CEABLO CC(C)Nc1nc(Nc2cccc(O)c2)cc(C2CC2)[nH+]1 ZINC000328976613 202137649 /nfs/dbraw/zinc/13/76/49/202137649.db2.gz FOTZCJROUADJAW-UHFFFAOYSA-N 1 2 284.363 2.467 40 0 CEABLO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000023633516 361601753 /nfs/dbraw/zinc/60/17/53/361601753.db2.gz FTVXGJKNVSAJBT-CABCVRRESA-N 1 2 293.407 2.272 40 0 CEABLO O=C1Nc2ccccc2O[C@H]2C[C@@H]1[N@H+](Cc1ccccn1)C2 ZINC000225480074 370297750 /nfs/dbraw/zinc/29/77/50/370297750.db2.gz PLPWJMJNQGPVLN-ZFWWWQNUSA-N 1 2 295.342 2.056 40 0 biogenic,in-vitro CEABLO O=C1Nc2ccccc2O[C@H]2C[C@@H]1[N@@H+](Cc1ccccn1)C2 ZINC000225480074 370297757 /nfs/dbraw/zinc/29/77/57/370297757.db2.gz PLPWJMJNQGPVLN-ZFWWWQNUSA-N 1 2 295.342 2.056 40 0 biogenic,in-vitro CEABLO c1cc2n(n1)[C@@H](COc1ccccn1)C[N@H+](CC1CC1)C2 ZINC000253595812 371530204 /nfs/dbraw/zinc/53/02/04/371530204.db2.gz JDVGEOVUDQDTIK-OAHLLOKOSA-N 1 2 284.363 2.124 40 0 CEABLO c1cc2n(n1)[C@@H](COc1ccccn1)C[N@@H+](CC1CC1)C2 ZINC000253595812 371530208 /nfs/dbraw/zinc/53/02/08/371530208.db2.gz JDVGEOVUDQDTIK-OAHLLOKOSA-N 1 2 284.363 2.124 40 0 CEABLO Cn1nc(C[NH2+]Cc2cccc(O)c2)cc1C(F)(F)F ZINC000256054059 190004958 /nfs/dbraw/zinc/00/49/58/190004958.db2.gz UTZBVEHOSYUBFC-UHFFFAOYSA-N 1 2 285.269 2.434 40 0 CEABLO Cc1cn(C)c([C@H]2CC[N@H+](Cc3ccccc3C(=O)[O-])C2)[nH+]1 ZINC000257245162 190019531 /nfs/dbraw/zinc/01/95/31/190019531.db2.gz IOHLRCDQJTXUQC-AWEZNQCLSA-N 1 2 299.374 2.416 40 0 CEABLO Cc1cn(C)c([C@H]2CC[N@@H+](Cc3ccccc3C(=O)[O-])C2)[nH+]1 ZINC000257245162 190019532 /nfs/dbraw/zinc/01/95/32/190019532.db2.gz IOHLRCDQJTXUQC-AWEZNQCLSA-N 1 2 299.374 2.416 40 0 CEABLO CCn1cc(C[N@@H+]2CCN(C)[C@H](c3ccccc3)C2)cn1 ZINC000257265046 190023301 /nfs/dbraw/zinc/02/33/01/190023301.db2.gz LXBCCSCABXWYFS-KRWDZBQOSA-N 1 2 284.407 2.392 40 0 CEABLO CCn1cc(C[N@H+]2CCN(C)[C@H](c3ccccc3)C2)cn1 ZINC000257265046 190023302 /nfs/dbraw/zinc/02/33/02/190023302.db2.gz LXBCCSCABXWYFS-KRWDZBQOSA-N 1 2 284.407 2.392 40 0 CEABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3ccsc3)C2)[nH+]1 ZINC000257291757 190027436 /nfs/dbraw/zinc/02/74/36/190027436.db2.gz QIMAOEKVDKMGTA-NSHDSACASA-N 1 2 275.377 2.420 40 0 CEABLO COc1ccccc1[C@H]1CN(C(=O)CC2CC2)CC[N@@H+]1C ZINC000257273097 190024897 /nfs/dbraw/zinc/02/48/97/190024897.db2.gz NFGILESSQVXTIR-OAHLLOKOSA-N 1 2 288.391 2.310 40 0 CEABLO COc1ccccc1[C@H]1CN(C(=O)CC2CC2)CC[N@H+]1C ZINC000257273097 190024898 /nfs/dbraw/zinc/02/48/98/190024898.db2.gz NFGILESSQVXTIR-OAHLLOKOSA-N 1 2 288.391 2.310 40 0 CEABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3ncccc3C)C2)[nH+]1 ZINC000257295547 190028849 /nfs/dbraw/zinc/02/88/49/190028849.db2.gz QYUJJLMXOBLWNO-LBPRGKRZSA-N 1 2 270.336 2.051 40 0 CEABLO CNc1cc([C@@H]2CCCN2C(=O)c2cccc(=O)[nH]2)cc[nH+]1 ZINC000257321213 190033361 /nfs/dbraw/zinc/03/33/61/190033361.db2.gz WAPNFGOHFIQRJS-ZDUSSCGKSA-N 1 2 298.346 2.201 40 0 CEABLO Cc1c[nH]c([C@@H]2CC[N@H+](Cc3ccc(C)nc3)C2)n1 ZINC000257326174 190034385 /nfs/dbraw/zinc/03/43/85/190034385.db2.gz WWCWWMDUJRFCHV-CQSZACIVSA-N 1 2 256.353 2.411 40 0 CEABLO Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3ccc(C)nc3)C2)n1 ZINC000257326174 190034386 /nfs/dbraw/zinc/03/43/86/190034386.db2.gz WWCWWMDUJRFCHV-CQSZACIVSA-N 1 2 256.353 2.411 40 0 CEABLO CNc1nc(Nc2cccc(F)c2C)cc(C2CC2)[nH+]1 ZINC000329066861 376930207 /nfs/dbraw/zinc/93/02/07/376930207.db2.gz YDNBQPIQOQEWPL-UHFFFAOYSA-N 1 2 272.327 2.431 40 0 CEABLO CCn1ncc2c1[C@@H](COC)C[N@H+](Cc1ccccn1)C2 ZINC000096060150 394675290 /nfs/dbraw/zinc/67/52/90/394675290.db2.gz GBKJNVZBWWREQH-CQSZACIVSA-N 1 2 286.379 2.044 40 0 CEABLO CCn1ncc2c1[C@@H](COC)C[N@@H+](Cc1ccccn1)C2 ZINC000096060150 394675294 /nfs/dbraw/zinc/67/52/94/394675294.db2.gz GBKJNVZBWWREQH-CQSZACIVSA-N 1 2 286.379 2.044 40 0 CEABLO C[C@@]1(c2ccnc3ccnn32)CCC[N@@H+]1Cc1cnccn1 ZINC000257221918 400317376 /nfs/dbraw/zinc/31/73/76/400317376.db2.gz DRDHIVWUMAPCGM-INIZCTEOSA-N 1 2 294.362 2.031 40 0 CEABLO C[C@@]1(c2ccnc3ccnn32)CCC[N@H+]1Cc1cnccn1 ZINC000257221918 400317381 /nfs/dbraw/zinc/31/73/81/400317381.db2.gz DRDHIVWUMAPCGM-INIZCTEOSA-N 1 2 294.362 2.031 40 0 CEABLO CCn1ccc(C[NH2+]Cc2cc(F)ccc2F)n1 ZINC000020354199 171156923 /nfs/dbraw/zinc/15/69/23/171156923.db2.gz LRQSQPYNCNIYKD-UHFFFAOYSA-N 1 2 251.280 2.471 40 0 CEABLO CCN(CC)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038832600 174157209 /nfs/dbraw/zinc/15/72/09/174157209.db2.gz FUTJQNUKEGVRTE-UHFFFAOYSA-N 1 2 257.337 2.413 40 0 CEABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccco1 ZINC000044902008 175274435 /nfs/dbraw/zinc/27/44/35/175274435.db2.gz ZASXLAOBHSAYFR-UHFFFAOYSA-N 1 2 267.288 2.395 40 0 CEABLO Cc1nnsc1C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000072390463 176393902 /nfs/dbraw/zinc/39/39/02/176393902.db2.gz LLWIRGVQNRZPJF-UHFFFAOYSA-N 1 2 273.321 2.284 40 0 CEABLO O=C1C[NH2+][C@@H](c2ccccc2)[C@H](c2ccccc2)N1 ZINC000061952971 260234824 /nfs/dbraw/zinc/23/48/24/260234824.db2.gz OXNZYVLTFNKTNK-HOTGVXAUSA-N 1 2 252.317 2.188 40 0 CEABLO C[NH+]1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000028210667 290032216 /nfs/dbraw/zinc/03/22/16/290032216.db2.gz OTDLCILCDYGBQA-UHFFFAOYSA-N 1 2 272.270 2.093 40 0 CEABLO COc1cccc([C@H]([NH3+])c2nc(C(C)(C)C)n[nH]2)c1 ZINC000095533593 185005547 /nfs/dbraw/zinc/00/55/47/185005547.db2.gz YYLQPGMJCYOWCG-NSHDSACASA-N 1 2 260.341 2.159 40 0 CEABLO COc1cccc([C@H]([NH3+])c2nnc(C(C)(C)C)[nH]2)c1 ZINC000095533593 185005548 /nfs/dbraw/zinc/00/55/48/185005548.db2.gz YYLQPGMJCYOWCG-NSHDSACASA-N 1 2 260.341 2.159 40 0 CEABLO Cc1ccc([C@@H]([NH3+])c2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000095534163 185007235 /nfs/dbraw/zinc/00/72/35/185007235.db2.gz HCUJANFHYXUBON-NWDGAFQWSA-N 1 2 258.325 2.013 40 0 CEABLO CCn1nnc2c1[C@H](COC)C[N@H+](Cc1cccs1)C2 ZINC000096060823 185082899 /nfs/dbraw/zinc/08/28/99/185082899.db2.gz TZUFAEKEENSLBV-NSHDSACASA-N 1 2 292.408 2.105 40 0 CEABLO CCn1nnc2c1[C@H](COC)C[N@@H+](Cc1cccs1)C2 ZINC000096060823 185082900 /nfs/dbraw/zinc/08/29/00/185082900.db2.gz TZUFAEKEENSLBV-NSHDSACASA-N 1 2 292.408 2.105 40 0 CEABLO CCn1c2ccccc2[nH+]c1N1CCC[C@H](CO)C1 ZINC000043220228 362139953 /nfs/dbraw/zinc/13/99/53/362139953.db2.gz WMLWTORZYORCTM-LBPRGKRZSA-N 1 2 259.353 2.265 40 0 CEABLO Cc1nc([C@H]2COCC[NH2+]2)cc(N2CCCC(C)(C)C2)n1 ZINC000072366201 363131846 /nfs/dbraw/zinc/13/18/46/363131846.db2.gz LCRPERMPWZAHBL-CQSZACIVSA-N 1 2 290.411 2.072 40 0 CEABLO Nc1c[nH+]c(Nc2ccc(Br)cc2)nc1N ZINC000001627377 361212391 /nfs/dbraw/zinc/21/23/91/361212391.db2.gz NPQOEIVUDQNVAM-UHFFFAOYSA-N 1 2 280.129 2.147 40 0 CEABLO C[C@H]1CN(NC(=O)c2ccccc2)C(c2ccccc2)=[NH+]1 ZINC000006183717 361336685 /nfs/dbraw/zinc/33/66/85/361336685.db2.gz VIBXFMUNILMBQO-ZDUSSCGKSA-N 1 2 279.343 2.482 40 0 CEABLO Cc1cc(C)n(CCCn2c[nH+]cc2-c2cnn(C)c2)n1 ZINC000019719523 361547839 /nfs/dbraw/zinc/54/78/39/361547839.db2.gz MMUZREOJWJETIL-UHFFFAOYSA-N 1 2 284.367 2.187 40 0 CEABLO CC(C)CCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000030757272 361703205 /nfs/dbraw/zinc/70/32/05/361703205.db2.gz NXJYUFVRSLSQRP-UHFFFAOYSA-N 1 2 290.407 2.295 40 0 CEABLO C[C@@H](C[N@H+]1C[C@H]2CC[C@@H](C1)O2)OC(=O)c1ccccc1 ZINC000031939032 361723053 /nfs/dbraw/zinc/72/30/53/361723053.db2.gz UFMKUPZQURDUHA-AEGPPILISA-N 1 2 275.348 2.095 40 0 CEABLO C[C@@H](C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)OC(=O)c1ccccc1 ZINC000031939032 361723059 /nfs/dbraw/zinc/72/30/59/361723059.db2.gz UFMKUPZQURDUHA-AEGPPILISA-N 1 2 275.348 2.095 40 0 CEABLO OCc1c[nH+]cn1Cc1ccc(Br)cc1 ZINC000084193059 363801962 /nfs/dbraw/zinc/80/19/62/363801962.db2.gz JLBQCMBTWCNPRZ-UHFFFAOYSA-N 1 2 267.126 2.186 40 0 CEABLO C[C@@H]1c2[nH+]cc(Cn3cccn3)n2CCN1Cc1ccco1 ZINC000096201244 364410230 /nfs/dbraw/zinc/41/02/30/364410230.db2.gz LSGRRWATLMOCCS-CYBMUJFWSA-N 1 2 297.362 2.298 40 0 CEABLO CC[NH+](CC)c1ccc(N)cc1C(=O)N1CCCC1 ZINC000225484138 370298212 /nfs/dbraw/zinc/29/82/12/370298212.db2.gz ZPNCEOINQJCRJV-UHFFFAOYSA-N 1 2 261.369 2.351 40 0 CEABLO CCCn1nc(C)cc1C[NH2+]Cc1ccn(CC(F)F)n1 ZINC000256054184 190005134 /nfs/dbraw/zinc/00/51/34/190005134.db2.gz VGKMCGLSZLPPFL-UHFFFAOYSA-N 1 2 297.353 2.353 40 0 CEABLO FC(F)Cn1ccc(C[NH2+]Cc2ccnn2C(F)F)n1 ZINC000256053681 190005156 /nfs/dbraw/zinc/00/51/56/190005156.db2.gz SJTAEVXBMCHKOD-UHFFFAOYSA-N 1 2 291.252 2.030 40 0 CEABLO c1cc(CN2Cc3[nH+]ccn3C[C@@H]2c2ccccc2)n[nH]1 ZINC000257203159 190011487 /nfs/dbraw/zinc/01/14/87/190011487.db2.gz AOXFHMDMRWXGCR-OAHLLOKOSA-N 1 2 279.347 2.363 40 0 CEABLO CCCn1cc(C[N@@H+]2CCC[C@H]2c2cnccn2)cn1 ZINC000257207576 190011694 /nfs/dbraw/zinc/01/16/94/190011694.db2.gz BIJHSTCXGKKHNI-HNNXBMFYSA-N 1 2 271.368 2.420 40 0 CEABLO CCCn1cc(C[N@H+]2CCC[C@H]2c2cnccn2)cn1 ZINC000257207576 190011695 /nfs/dbraw/zinc/01/16/95/190011695.db2.gz BIJHSTCXGKKHNI-HNNXBMFYSA-N 1 2 271.368 2.420 40 0 CEABLO CC(=O)N1CC[N@H+](Cc2cccnc2)[C@@H](c2ccccc2)C1 ZINC000257213280 190013108 /nfs/dbraw/zinc/01/31/08/190013108.db2.gz CGXCIIXGMAEWSL-GOSISDBHSA-N 1 2 295.386 2.487 40 0 CEABLO CC(=O)N1CC[N@@H+](Cc2cccnc2)[C@@H](c2ccccc2)C1 ZINC000257213280 190013109 /nfs/dbraw/zinc/01/31/09/190013109.db2.gz CGXCIIXGMAEWSL-GOSISDBHSA-N 1 2 295.386 2.487 40 0 CEABLO Cc1ncsc1C[N@@H+]1CCO[C@@H](c2ccnc(C)n2)C1 ZINC000257282783 190026073 /nfs/dbraw/zinc/02/60/73/190026073.db2.gz OVHAISPZSHLEIX-CYBMUJFWSA-N 1 2 290.392 2.123 40 0 CEABLO Cc1ncsc1C[N@H+]1CCO[C@@H](c2ccnc(C)n2)C1 ZINC000257282783 190026074 /nfs/dbraw/zinc/02/60/74/190026074.db2.gz OVHAISPZSHLEIX-CYBMUJFWSA-N 1 2 290.392 2.123 40 0 CEABLO Cc1cc(CC2CCN(C(=O)Cn3cccn3)CC2)cc[nH+]1 ZINC000257281546 190026558 /nfs/dbraw/zinc/02/65/58/190026558.db2.gz OPSIYWGOGPDPAO-UHFFFAOYSA-N 1 2 298.390 2.068 40 0 CEABLO CN(C)c1cc([C@@H]2CCCN2C(=O)c2cccn2C)cc[nH+]1 ZINC000257285784 190027086 /nfs/dbraw/zinc/02/70/86/190027086.db2.gz PIWXGYDKQBKXDO-AWEZNQCLSA-N 1 2 298.390 2.463 40 0 CEABLO Cc1cc(=O)[nH]c([C@]2(C)CCC[N@@H+]2Cc2ccncc2)n1 ZINC000257296636 190028440 /nfs/dbraw/zinc/02/84/40/190028440.db2.gz RDRIHCUSFNKHNG-INIZCTEOSA-N 1 2 284.363 2.397 40 0 CEABLO Cc1cc(=O)[nH]c([C@]2(C)CCC[N@H+]2Cc2ccncc2)n1 ZINC000257296636 190028441 /nfs/dbraw/zinc/02/84/41/190028441.db2.gz RDRIHCUSFNKHNG-INIZCTEOSA-N 1 2 284.363 2.397 40 0 CEABLO Cn1cc[nH+]c1CN1CCCC[C@@H]1c1ccn2nccc2n1 ZINC000257314999 190032555 /nfs/dbraw/zinc/03/25/55/190032555.db2.gz UZMLHGFXAUUYEN-CQSZACIVSA-N 1 2 296.378 2.190 40 0 CEABLO Cn1ccnc1C[N@@H+]1CCCC[C@@H]1c1ccn2nccc2n1 ZINC000257314999 190032556 /nfs/dbraw/zinc/03/25/56/190032556.db2.gz UZMLHGFXAUUYEN-CQSZACIVSA-N 1 2 296.378 2.190 40 0 CEABLO Cn1ccnc1C[N@H+]1CCCC[C@@H]1c1ccn2nccc2n1 ZINC000257314999 190032557 /nfs/dbraw/zinc/03/25/57/190032557.db2.gz UZMLHGFXAUUYEN-CQSZACIVSA-N 1 2 296.378 2.190 40 0 CEABLO C[N@@H+]1CCC[C@@H](c2nccnc2-c2cccc(C(N)=O)c2)C1 ZINC000257323806 190033993 /nfs/dbraw/zinc/03/39/93/190033993.db2.gz WLWYWOIQZFALAF-CQSZACIVSA-N 1 2 296.374 2.052 40 0 CEABLO C[N@H+]1CCC[C@@H](c2nccnc2-c2cccc(C(N)=O)c2)C1 ZINC000257323806 190033994 /nfs/dbraw/zinc/03/39/94/190033994.db2.gz WLWYWOIQZFALAF-CQSZACIVSA-N 1 2 296.374 2.052 40 0 CEABLO Cn1nccc1-c1ccc(C[C@@H]2CCC[NH2+]C2)cn1 ZINC000257325367 190034378 /nfs/dbraw/zinc/03/43/78/190034378.db2.gz WSQZJHMNSUIAGY-LBPRGKRZSA-N 1 2 256.353 2.024 40 0 CEABLO CCOCC(=O)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257327190 190035189 /nfs/dbraw/zinc/03/51/89/190035189.db2.gz XAJAPBGOUMYNPQ-CQSZACIVSA-N 1 2 285.347 2.003 40 0 CEABLO Cc1cc([C@H](O)c2ccccc2)c[nH+]c1N1CCOCC1 ZINC000072222511 256705696 /nfs/dbraw/zinc/70/56/96/256705696.db2.gz HVOJPWNXCDNEIM-MRXNPFEDSA-N 1 2 284.359 2.308 40 0 CEABLO c1ccc(N2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)[nH+]c1 ZINC000096218632 256826657 /nfs/dbraw/zinc/82/66/57/256826657.db2.gz REOYRRRNMKKHNJ-RDJZCZTQSA-N 1 2 297.358 2.293 40 0 CEABLO COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2[NH3+])cc1 ZINC000045484878 277929730 /nfs/dbraw/zinc/92/97/30/277929730.db2.gz CNJVYMBBVJJDME-HOCLYGCPSA-N 1 2 269.300 2.339 40 0 CEABLO C[C@@]1(c2ncc(C[NH+]3CCSCC3)cn2)CCCCO1 ZINC000257219078 289217955 /nfs/dbraw/zinc/21/79/55/289217955.db2.gz DFMZNAOIYUIIKL-HNNXBMFYSA-N 1 2 293.436 2.441 40 0 CEABLO COC[C@@H]1C[N@H+](Cc2cccs2)Cc2ncn(C)c21 ZINC000096060180 185081648 /nfs/dbraw/zinc/08/16/48/185081648.db2.gz SVQMIJSCDXBCIO-NSHDSACASA-N 1 2 277.393 2.227 40 0 CEABLO COC[C@@H]1C[N@@H+](Cc2cccs2)Cc2ncn(C)c21 ZINC000096060180 185081649 /nfs/dbraw/zinc/08/16/49/185081649.db2.gz SVQMIJSCDXBCIO-NSHDSACASA-N 1 2 277.393 2.227 40 0 CEABLO Cc1[nH+]c2c(n1C)CCN(C(=S)Nc1ccccc1)C2 ZINC000070503669 363092749 /nfs/dbraw/zinc/09/27/49/363092749.db2.gz ICULCFOSHLKPEM-UHFFFAOYSA-N 1 2 286.404 2.484 40 0 CEABLO CNc1nccnc1C1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000072364078 363131284 /nfs/dbraw/zinc/13/12/84/363131284.db2.gz FHALTTMNNGUEDC-UHFFFAOYSA-N 1 2 284.367 2.001 40 0 CEABLO CNc1cc(-c2ccccc2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000329010803 202151989 /nfs/dbraw/zinc/15/19/89/202151989.db2.gz MBUYZJXXRQHDOE-CQSZACIVSA-N 1 2 286.379 2.036 40 0 CEABLO C[C@@H](C(=O)N[C@@H]1CCCC[C@@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016332895 361485745 /nfs/dbraw/zinc/48/57/45/361485745.db2.gz WOFFVVZZCUXLEF-SBJFKYEJSA-N 1 2 282.428 2.179 40 0 CEABLO C[C@@H](C(=O)N[C@@H]1CCCC[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016332895 361485747 /nfs/dbraw/zinc/48/57/47/361485747.db2.gz WOFFVVZZCUXLEF-SBJFKYEJSA-N 1 2 282.428 2.179 40 0 CEABLO CNC(=O)c1ccc(-n2cc[nH+]c2)c(-n2cccc2)c1 ZINC000019591954 361545208 /nfs/dbraw/zinc/54/52/08/361545208.db2.gz DLQDUWZOPUQAQQ-UHFFFAOYSA-N 1 2 266.304 2.023 40 0 CEABLO COC(=O)[C@@H](C(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000022123389 361585967 /nfs/dbraw/zinc/58/59/67/361585967.db2.gz IBPADMUOSLNIBM-OAHLLOKOSA-N 1 2 294.370 2.145 40 0 CEABLO O=C(Nc1ccccc1Cl)OCC[NH+]1CCOCC1 ZINC000031924454 361722560 /nfs/dbraw/zinc/72/25/60/361722560.db2.gz ZQOPCFAELUKVHK-UHFFFAOYSA-N 1 2 284.743 2.221 40 0 CEABLO COCC[C@@H]1CCOC2(C[NH+](Cc3ccncc3)C2)C1 ZINC000247821595 371142557 /nfs/dbraw/zinc/14/25/57/371142557.db2.gz DIFQSATYDUAAAF-CQSZACIVSA-N 1 2 276.380 2.099 40 0 CEABLO c1c[nH+]c(CN2CC3(C2)CO[C@@H](Cc2ccccc2)C3)[nH]1 ZINC000257202614 190010767 /nfs/dbraw/zinc/01/07/67/190010767.db2.gz AMPUAEAHYXKTCL-HNNXBMFYSA-N 1 2 283.375 2.243 40 0 CEABLO Cc1cnc([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)s1 ZINC000257203303 190011333 /nfs/dbraw/zinc/01/13/33/190011333.db2.gz APLIIAWYKWWVBQ-LBPRGKRZSA-N 1 2 290.392 2.054 40 0 CEABLO Cc1cc(N)nc([C@]2(C)CCC[N@@H+]2Cc2cccnc2)n1 ZINC000257213333 190013099 /nfs/dbraw/zinc/01/30/99/190013099.db2.gz CHCVXTXOLGDVIG-INIZCTEOSA-N 1 2 283.379 2.273 40 0 CEABLO Cc1cc(N)nc([C@]2(C)CCC[N@H+]2Cc2cccnc2)n1 ZINC000257213333 190013100 /nfs/dbraw/zinc/01/31/00/190013100.db2.gz CHCVXTXOLGDVIG-INIZCTEOSA-N 1 2 283.379 2.273 40 0 CEABLO Cc1c[nH]c([C@H]2CCCN2C(=O)Cc2cccnc2)[nH+]1 ZINC000257311412 190032281 /nfs/dbraw/zinc/03/22/81/190032281.db2.gz UJHWMPDJJZVTOA-CYBMUJFWSA-N 1 2 270.336 2.019 40 0 CEABLO Cc1cc2nc(C3CC[NH+](Cc4c[nH]cn4)CC3)ccn2n1 ZINC000257323472 190033939 /nfs/dbraw/zinc/03/39/39/190033939.db2.gz WKHUTHMNPWSBKO-UHFFFAOYSA-N 1 2 296.378 2.140 40 0 CEABLO Cc1cc2nc(C3CC[NH+](Cc4cnc[nH]4)CC3)ccn2n1 ZINC000257323472 190033940 /nfs/dbraw/zinc/03/39/40/190033940.db2.gz WKHUTHMNPWSBKO-UHFFFAOYSA-N 1 2 296.378 2.140 40 0 CEABLO CNc1cccc([C@H]2C[N@H+](Cc3ccccn3)CCO2)n1 ZINC000257327510 190035004 /nfs/dbraw/zinc/03/50/04/190035004.db2.gz XBPRUXVZNIALSN-OAHLLOKOSA-N 1 2 284.363 2.092 40 0 CEABLO CNc1cccc([C@H]2C[N@@H+](Cc3ccccn3)CCO2)n1 ZINC000257327510 190035005 /nfs/dbraw/zinc/03/50/05/190035005.db2.gz XBPRUXVZNIALSN-OAHLLOKOSA-N 1 2 284.363 2.092 40 0 CEABLO Cc1c[nH]nc1[C@H]1CCCC[N@H+]1Cc1ccn(C)n1 ZINC000257328386 190035138 /nfs/dbraw/zinc/03/51/38/190035138.db2.gz XFJOCIMOFQOQBY-CYBMUJFWSA-N 1 2 259.357 2.179 40 0 CEABLO Cc1c[nH]nc1[C@H]1CCCC[N@@H+]1Cc1ccn(C)n1 ZINC000257328386 190035139 /nfs/dbraw/zinc/03/51/39/190035139.db2.gz XFJOCIMOFQOQBY-CYBMUJFWSA-N 1 2 259.357 2.179 40 0 CEABLO CNc1nc(Nc2ccccc2F)cc(C2CC2)[nH+]1 ZINC000329050873 376929948 /nfs/dbraw/zinc/92/99/48/376929948.db2.gz UVOUKLAKIPZCOH-UHFFFAOYSA-N 1 2 258.300 2.122 40 0 CEABLO Cc1cc(N)cc(Br)c1N1CC[NH+](C)CC1 ZINC000045885964 291929060 /nfs/dbraw/zinc/92/90/60/291929060.db2.gz PFWPFTOCGOVJLI-UHFFFAOYSA-N 1 2 284.201 2.092 40 0 CEABLO O=C1Nc2ccccc2N2N[NH+]=C(c3ccccc3)C=C12 ZINC000005602700 394457912 /nfs/dbraw/zinc/45/79/12/394457912.db2.gz TYUPKNDNOIJPOR-UHFFFAOYSA-N 1 2 276.299 2.252 40 0 CEABLO COc1cccc(NCc2nnc([C@H]([NH3+])C(C)C)[nH]2)c1 ZINC000095534743 394673091 /nfs/dbraw/zinc/67/30/91/394673091.db2.gz KVYIFOYNQVWFDS-CYBMUJFWSA-N 1 2 275.356 2.081 40 0 CEABLO COc1cccc(NCc2nc([C@H]([NH3+])C(C)C)n[nH]2)c1 ZINC000095534743 394673096 /nfs/dbraw/zinc/67/30/96/394673096.db2.gz KVYIFOYNQVWFDS-CYBMUJFWSA-N 1 2 275.356 2.081 40 0 CEABLO CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](C)CC1 ZINC000008040708 170316054 /nfs/dbraw/zinc/31/60/54/170316054.db2.gz QTWMELOWEGPAMY-CQSZACIVSA-N 1 2 296.798 2.271 40 0 CEABLO COCCn1c2cc(Cl)ccc2[nH+]c1CCCO ZINC000040404637 174253606 /nfs/dbraw/zinc/25/36/06/174253606.db2.gz DEZMPAZLGWHEID-UHFFFAOYSA-N 1 2 268.744 2.261 40 0 CEABLO Cc1ccc(C2(O)CC[NH+](Cc3nccn3C)CC2)cc1 ZINC000072344686 176373137 /nfs/dbraw/zinc/37/31/37/176373137.db2.gz GTWVOICYLHYJRZ-UHFFFAOYSA-N 1 2 285.391 2.212 40 0 CEABLO Cc1cncc([C@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000072385502 176389883 /nfs/dbraw/zinc/38/98/83/176389883.db2.gz VBWMTPCAULTIAL-CYBMUJFWSA-N 1 2 255.325 2.225 40 0 CEABLO Fc1ccc(C2=NO[C@H]3C[N@H+](Cc4ccccn4)C[C@@H]23)cc1 ZINC000247527775 334284083 /nfs/dbraw/zinc/28/40/83/334284083.db2.gz NTTUQKFXZGPUIY-CVEARBPZSA-N 1 2 297.333 2.456 40 0 CEABLO Fc1ccc(C2=NO[C@H]3C[N@@H+](Cc4ccccn4)C[C@@H]23)cc1 ZINC000247527775 334284084 /nfs/dbraw/zinc/28/40/84/334284084.db2.gz NTTUQKFXZGPUIY-CVEARBPZSA-N 1 2 297.333 2.456 40 0 CEABLO [NH3+][C@@H](c1nc([C@H]2CCCO2)n[nH]1)c1ccc(Cl)cc1 ZINC000095534023 185007408 /nfs/dbraw/zinc/00/74/08/185007408.db2.gz UCZQDFONDINEBA-GHMZBOCLSA-N 1 2 278.743 2.358 40 0 CEABLO CCOC[C@H]1Cn2ccnc2C[N@H+](Cc2ccco2)C1 ZINC000096059114 185079569 /nfs/dbraw/zinc/07/95/69/185079569.db2.gz YKZHYZCDSUQDQM-CYBMUJFWSA-N 1 2 275.352 2.145 40 0 CEABLO CCOC[C@H]1Cn2ccnc2C[N@@H+](Cc2ccco2)C1 ZINC000096059114 185079570 /nfs/dbraw/zinc/07/95/70/185079570.db2.gz YKZHYZCDSUQDQM-CYBMUJFWSA-N 1 2 275.352 2.145 40 0 CEABLO CCOC[C@H]1Cn2cc[nH+]c2CN(Cc2ccco2)C1 ZINC000096059114 185079572 /nfs/dbraw/zinc/07/95/72/185079572.db2.gz YKZHYZCDSUQDQM-CYBMUJFWSA-N 1 2 275.352 2.145 40 0 CEABLO CCn1nnc2c1[C@@H](COC)C[N@H+](Cc1cccs1)C2 ZINC000096060822 185082995 /nfs/dbraw/zinc/08/29/95/185082995.db2.gz TZUFAEKEENSLBV-LLVKDONJSA-N 1 2 292.408 2.105 40 0 CEABLO CCn1nnc2c1[C@@H](COC)C[N@@H+](Cc1cccs1)C2 ZINC000096060822 185082996 /nfs/dbraw/zinc/08/29/96/185082996.db2.gz TZUFAEKEENSLBV-LLVKDONJSA-N 1 2 292.408 2.105 40 0 CEABLO Cc1cccc2cc(C(=O)N3CC[NH+](C)CC3)oc21 ZINC000041306748 362028473 /nfs/dbraw/zinc/02/84/73/362028473.db2.gz ZYXQKHUPKAXRAJ-UHFFFAOYSA-N 1 2 258.321 2.129 40 0 CEABLO C[NH+]1CCN(C(=O)CSCc2cccc(Cl)c2)CC1 ZINC000050079796 362399478 /nfs/dbraw/zinc/39/94/78/362399478.db2.gz REGXSAWXKDRFJR-UHFFFAOYSA-N 1 2 298.839 2.347 40 0 CEABLO CO[C@H]1CCOC2(C[NH+](Cc3ccc(C)cc3)C2)C1 ZINC000585105424 345005827 /nfs/dbraw/zinc/00/58/27/345005827.db2.gz WJAUOPDFQKIRDV-HNNXBMFYSA-N 1 2 261.365 2.375 40 0 CEABLO CCCC[C@H](CC)COC(=O)CCOCC[NH+]1CC1 ZINC000004775889 361329314 /nfs/dbraw/zinc/32/93/14/361329314.db2.gz SMUOYPZXHUJMAK-AWEZNQCLSA-N 1 2 271.401 2.468 40 0 CEABLO CC[C@H](C)c1ccccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000023633518 361602223 /nfs/dbraw/zinc/60/22/23/361602223.db2.gz FTVXGJKNVSAJBT-GJZGRUSLSA-N 1 2 293.407 2.272 40 0 CEABLO CC[C@](C)(C(=O)OC)[NH+]1CCN(c2ccccc2)CC1 ZINC000022123533 361586940 /nfs/dbraw/zinc/58/69/40/361586940.db2.gz OEDSTNSQJMKFFW-MRXNPFEDSA-N 1 2 276.380 2.150 40 0 CEABLO C[NH+]1CCN(CC(=O)C23CC4C[C@H](C2)CC[C@@H](C4)C3)CC1 ZINC000022816750 361588275 /nfs/dbraw/zinc/58/82/75/361588275.db2.gz OQVAVITULSMUGF-SFYZZRBRSA-N 1 2 290.451 2.409 40 0 CEABLO CN1CC[NH+](CC(=O)C23CC4C[C@H](C2)CC[C@@H](C4)C3)CC1 ZINC000022816750 361588282 /nfs/dbraw/zinc/58/82/82/361588282.db2.gz OQVAVITULSMUGF-SFYZZRBRSA-N 1 2 290.451 2.409 40 0 CEABLO COc1ccccc1C[NH+]1CC2(C1)C[C@@H](OC)CCO2 ZINC000248115526 371162448 /nfs/dbraw/zinc/16/24/48/371162448.db2.gz BAZVYOUCLAVHIZ-AWEZNQCLSA-N 1 2 277.364 2.075 40 0 CEABLO COC[C@H]1C[N@H+](Cc2sccc2C)Cc2cncn21 ZINC000253599544 371531575 /nfs/dbraw/zinc/53/15/75/371531575.db2.gz RAYHJLPNXYEYIH-CYBMUJFWSA-N 1 2 277.393 2.456 40 0 CEABLO COC[C@H]1C[N@@H+](Cc2sccc2C)Cc2cncn21 ZINC000253599544 371531580 /nfs/dbraw/zinc/53/15/80/371531580.db2.gz RAYHJLPNXYEYIH-CYBMUJFWSA-N 1 2 277.393 2.456 40 0 CEABLO COC[C@H]1CN(Cc2sccc2C)Cc2c[nH+]cn21 ZINC000253599544 371531586 /nfs/dbraw/zinc/53/15/86/371531586.db2.gz RAYHJLPNXYEYIH-CYBMUJFWSA-N 1 2 277.393 2.456 40 0 CEABLO CO[C@@H]1CCOC2(C[NH+](Cc3sccc3C)C2)C1 ZINC000253599237 371532669 /nfs/dbraw/zinc/53/26/69/371532669.db2.gz MTNWQBQWOJFQSL-GFCCVEGCSA-N 1 2 267.394 2.436 40 0 CEABLO CCCn1ccc(C[NH2+]Cc2cn(CCC)nc2C)n1 ZINC000256050405 190002999 /nfs/dbraw/zinc/00/29/99/190002999.db2.gz DWHJGKVTZXSXKT-UHFFFAOYSA-N 1 2 275.400 2.498 40 0 CEABLO CCCn1nc(C)cc1C[NH2+]Cc1ccn(C(F)F)n1 ZINC000256052321 190004358 /nfs/dbraw/zinc/00/43/58/190004358.db2.gz MVWLNZJKADZHQO-UHFFFAOYSA-N 1 2 283.326 2.483 40 0 CEABLO Cc1c[nH]c([C@H]2CCCN(C(=O)CCc3cccnc3)C2)[nH+]1 ZINC000257221990 190014686 /nfs/dbraw/zinc/01/46/86/190014686.db2.gz DRKRDBCPKXRUMO-HNNXBMFYSA-N 1 2 298.390 2.452 40 0 CEABLO O=C(c1cnccn1)N1CCC[C@@H]1c1cccc2[nH+]ccn21 ZINC000257244684 190019333 /nfs/dbraw/zinc/01/93/33/190019333.db2.gz IMJAZBRJURREPQ-CQSZACIVSA-N 1 2 293.330 2.102 40 0 CEABLO CNc1nccnc1[C@H]1C[N@H+](Cc2cccs2)CCO1 ZINC000257271286 190023855 /nfs/dbraw/zinc/02/38/55/190023855.db2.gz MXRNBIRPDSUALP-GFCCVEGCSA-N 1 2 290.392 2.153 40 0 CEABLO CNc1nccnc1[C@H]1C[N@@H+](Cc2cccs2)CCO1 ZINC000257271286 190023856 /nfs/dbraw/zinc/02/38/56/190023856.db2.gz MXRNBIRPDSUALP-GFCCVEGCSA-N 1 2 290.392 2.153 40 0 CEABLO Cc1nn(C)c(C)c1C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000257339585 190037452 /nfs/dbraw/zinc/03/74/52/190037452.db2.gz ZCKBNUHMUJSYND-OAHLLOKOSA-N 1 2 273.384 2.487 40 0 CEABLO Cc1nn(C)c(C)c1C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000257339585 190037453 /nfs/dbraw/zinc/03/74/53/190037453.db2.gz ZCKBNUHMUJSYND-OAHLLOKOSA-N 1 2 273.384 2.487 40 0 CEABLO C[N@@H+]1CC[C@H](c2ccnc(Nc3ccccn3)n2)C1 ZINC000257322794 190034301 /nfs/dbraw/zinc/03/43/01/190034301.db2.gz WHKMNRJOHSXVHN-NSHDSACASA-N 1 2 255.325 2.034 40 0 CEABLO C[N@H+]1CC[C@H](c2ccnc(Nc3ccccn3)n2)C1 ZINC000257322794 190034302 /nfs/dbraw/zinc/03/43/02/190034302.db2.gz WHKMNRJOHSXVHN-NSHDSACASA-N 1 2 255.325 2.034 40 0 CEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)Cc3cccc(F)c3)C2)[nH+]1 ZINC000257339137 190036749 /nfs/dbraw/zinc/03/67/49/190036749.db2.gz ZAIQJFTXJYBKTP-CYBMUJFWSA-N 1 2 287.338 2.416 40 0 CEABLO O=CN1CCC[C@@H]1c1ccc(N2CCCCC2)[nH+]c1 ZINC000072216030 394593427 /nfs/dbraw/zinc/59/34/27/394593427.db2.gz NYDVQUPJQSQTRE-CQSZACIVSA-N 1 2 259.353 2.365 40 0 CEABLO Cc1cc(N2CCOCC2)[nH+]cc1[C@@H](O)c1ccccc1 ZINC000072223554 394594364 /nfs/dbraw/zinc/59/43/64/394594364.db2.gz FKFDXEFDTSFUQQ-KRWDZBQOSA-N 1 2 284.359 2.308 40 0 CEABLO Cc1ccc(C(=O)N2CC[C@@]3(CCn4cc[nH+]c43)C2)s1 ZINC000306127135 292063388 /nfs/dbraw/zinc/06/33/88/292063388.db2.gz FPHAWIMIQVRLPG-HNNXBMFYSA-N 1 2 287.388 2.441 40 0 CEABLO O=C(COc1ccccc1Cl)NCCCn1cc[nH+]c1 ZINC000006382972 170196729 /nfs/dbraw/zinc/19/67/29/170196729.db2.gz HZLCZANOPLDHKD-UHFFFAOYSA-N 1 2 293.754 2.122 40 0 CEABLO COc1ccccc1[C@H](NC(=O)C(C)C)c1[nH+]ccn1C ZINC000053341648 175548296 /nfs/dbraw/zinc/54/82/96/175548296.db2.gz MRXWJWSZILPANZ-AWEZNQCLSA-N 1 2 287.363 2.290 40 0 CEABLO Cc1ccnc([C@]2(C)CCCN2Cc2c[nH+]c[nH]2)n1 ZINC000072388379 302283017 /nfs/dbraw/zinc/28/30/17/302283017.db2.gz BOYLFNBOYSYXNV-AWEZNQCLSA-N 1 2 257.341 2.019 40 0 CEABLO c1cc(C[N@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)ccn1 ZINC000096041587 185070652 /nfs/dbraw/zinc/07/06/52/185070652.db2.gz CTNLOFACHWGGJJ-GVDBMIGSSA-N 1 2 288.391 2.240 40 0 CEABLO c1cc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)ccn1 ZINC000096041587 185070654 /nfs/dbraw/zinc/07/06/54/185070654.db2.gz CTNLOFACHWGGJJ-GVDBMIGSSA-N 1 2 288.391 2.240 40 0 CEABLO CC[NH+]1CCN(C(=S)c2ccc(O)c(Cl)c2)CC1 ZINC000006953493 343357587 /nfs/dbraw/zinc/35/75/87/343357587.db2.gz QSMFTZZBAUOOLO-UHFFFAOYSA-N 1 2 284.812 2.359 40 0 CEABLO Cc1cc(N2CCC[C@@H](c3csc(N)n3)C2)nc[nH+]1 ZINC000072369041 363130698 /nfs/dbraw/zinc/13/06/98/363130698.db2.gz QZPAYLIUTHPKSU-SNVBAGLBSA-N 1 2 275.381 2.208 40 0 CEABLO CC[C@H](C)Nc1nc(NC(C)C)cc(-c2cccnc2)[nH+]1 ZINC000329032230 202159418 /nfs/dbraw/zinc/15/94/18/202159418.db2.gz QNFFPMBXSSQWKF-LBPRGKRZSA-N 1 2 285.395 2.413 40 0 CEABLO CCNc1nc(NC(C)(C)C)nc(NC(C)C)[nH+]1 ZINC000000856856 361194971 /nfs/dbraw/zinc/19/49/71/361194971.db2.gz APYGAJCXDCLDTA-UHFFFAOYSA-N 1 2 252.366 2.334 40 0 CEABLO CCNc1nc(NC(C)C)nc(NC(C)(C)C)[nH+]1 ZINC000000856856 361194974 /nfs/dbraw/zinc/19/49/74/361194974.db2.gz APYGAJCXDCLDTA-UHFFFAOYSA-N 1 2 252.366 2.334 40 0 CEABLO CCNc1nc(NC(C)C)[nH+]c(NC(C)(C)C)n1 ZINC000000856856 361194977 /nfs/dbraw/zinc/19/49/77/361194977.db2.gz APYGAJCXDCLDTA-UHFFFAOYSA-N 1 2 252.366 2.334 40 0 CEABLO Cc1[nH+]cc(CO)c(Cc2ccccc2N(C)C)c1O ZINC000013281645 361423721 /nfs/dbraw/zinc/42/37/21/361423721.db2.gz OVCYEAUCQPHFGT-UHFFFAOYSA-N 1 2 272.348 2.245 40 0 CEABLO Cc1ccc(C)c(CC(=O)NCCCn2cc[nH+]c2)c1 ZINC000019934601 361568640 /nfs/dbraw/zinc/56/86/40/361568640.db2.gz OQQVWZLRYHRQCK-UHFFFAOYSA-N 1 2 271.364 2.249 40 0 CEABLO CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C1 ZINC000207358869 370158245 /nfs/dbraw/zinc/15/82/45/370158245.db2.gz NXSHFQFSZKOPQC-STQMWFEESA-N 1 2 289.379 2.385 40 0 CEABLO COC[C@@H]1CCOC12C[NH+](Cc1ccccc1F)C2 ZINC000247896587 371145040 /nfs/dbraw/zinc/14/50/40/371145040.db2.gz VBHBJBXNGHWMPL-ZDUSSCGKSA-N 1 2 265.328 2.063 40 0 CEABLO Cc1cc(N2CC[C@@H](Cc3cccnc3)C2)nc[nH+]1 ZINC000257208866 190012447 /nfs/dbraw/zinc/01/24/47/190012447.db2.gz BNWBIEVWVPJSPR-AWEZNQCLSA-N 1 2 254.337 2.249 40 0 CEABLO Nc1cccc([C@@H]2C[N@H+](CCOc3ccccc3)CCO2)n1 ZINC000257217316 190014065 /nfs/dbraw/zinc/01/40/65/190014065.db2.gz CYLRRNQPFKVDGV-INIZCTEOSA-N 1 2 299.374 2.116 40 0 CEABLO Nc1cccc([C@@H]2C[N@@H+](CCOc3ccccc3)CCO2)n1 ZINC000257217316 190014066 /nfs/dbraw/zinc/01/40/66/190014066.db2.gz CYLRRNQPFKVDGV-INIZCTEOSA-N 1 2 299.374 2.116 40 0 CEABLO Cn1ccnc1C[NH+]1CCC(C)(c2nccs2)CC1 ZINC000257264841 190023391 /nfs/dbraw/zinc/02/33/91/190023391.db2.gz LWFIKMKLIXGOTP-UHFFFAOYSA-N 1 2 276.409 2.430 40 0 CEABLO Cc1c[nH]c([C@H]2CCCN2C(=O)Cc2csc(C)n2)[nH+]1 ZINC000257263804 190022736 /nfs/dbraw/zinc/02/27/36/190022736.db2.gz LRNGRMSLKVDIPN-GFCCVEGCSA-N 1 2 290.392 2.389 40 0 CEABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2cncs2)[nH+]1 ZINC000257274715 190024414 /nfs/dbraw/zinc/02/44/14/190024414.db2.gz NMIWQVRNWCRLKQ-SECBINFHSA-N 1 2 262.338 2.152 40 0 CEABLO COc1ccc([C@H]2CN(C(=O)CC3CC3)CC[N@@H+]2C)cc1 ZINC000257313050 190031686 /nfs/dbraw/zinc/03/16/86/190031686.db2.gz UQUCGFAVLBIBHA-MRXNPFEDSA-N 1 2 288.391 2.310 40 0 CEABLO COc1ccc([C@H]2CN(C(=O)CC3CC3)CC[N@H+]2C)cc1 ZINC000257313050 190031687 /nfs/dbraw/zinc/03/16/87/190031687.db2.gz UQUCGFAVLBIBHA-MRXNPFEDSA-N 1 2 288.391 2.310 40 0 CEABLO [NH3+]CC1CCC(c2ccnc(Nc3ncccn3)n2)CC1 ZINC000257302705 190030443 /nfs/dbraw/zinc/03/04/43/190030443.db2.gz SDYQKTVFVGBBDN-UHFFFAOYSA-N 1 2 284.367 2.243 40 0 CEABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccccn3)C2)[nH+]1 ZINC000257301794 190030545 /nfs/dbraw/zinc/03/05/45/190030545.db2.gz RZXVQRAMLRGTNZ-LBPRGKRZSA-N 1 2 270.336 2.133 40 0 CEABLO c1cn2ccc([C@H]3CCCC[N@H+]3Cc3cc[nH]n3)nc2n1 ZINC000257313036 190031904 /nfs/dbraw/zinc/03/19/04/190031904.db2.gz UQSZYHWJCKCGDJ-CQSZACIVSA-N 1 2 282.351 2.180 40 0 CEABLO c1cn2ccc([C@H]3CCCC[N@@H+]3Cc3cc[nH]n3)nc2n1 ZINC000257313036 190031905 /nfs/dbraw/zinc/03/19/05/190031905.db2.gz UQSZYHWJCKCGDJ-CQSZACIVSA-N 1 2 282.351 2.180 40 0 CEABLO Cc1cc(-c2nccn2C)nc([C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000257325940 190034418 /nfs/dbraw/zinc/03/44/18/190034418.db2.gz WVCBWFLIKOQDCG-ZDUSSCGKSA-N 1 2 285.395 2.383 40 0 CEABLO Cc1cc(-c2nccn2C)nc([C@H]2CC[N@H+](C(C)C)C2)n1 ZINC000257325940 190034419 /nfs/dbraw/zinc/03/44/19/190034419.db2.gz WVCBWFLIKOQDCG-ZDUSSCGKSA-N 1 2 285.395 2.383 40 0 CEABLO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)N1CC1CC1 ZINC000096056544 296327382 /nfs/dbraw/zinc/32/73/82/296327382.db2.gz ITVIPMJTBCMNEJ-CHWSQXEVSA-N 1 2 291.420 2.118 40 0 CEABLO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)N1CC1CC1 ZINC000096056544 296327384 /nfs/dbraw/zinc/32/73/84/296327384.db2.gz ITVIPMJTBCMNEJ-CHWSQXEVSA-N 1 2 291.420 2.118 40 0 CEABLO O=C(NCc1cccnc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038849989 174158117 /nfs/dbraw/zinc/15/81/17/174158117.db2.gz OQWUMYXPQHDTMT-UHFFFAOYSA-N 1 2 292.342 2.256 40 0 CEABLO CN(C)c1ccc(CNC(=O)OC(C)(C)C)c[nH+]1 ZINC000072225138 176343420 /nfs/dbraw/zinc/34/34/20/176343420.db2.gz OOYISTWTVFTLSK-UHFFFAOYSA-N 1 2 251.330 2.172 40 0 CEABLO Cc1ccnc([C@@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000072385557 176390301 /nfs/dbraw/zinc/39/03/01/176390301.db2.gz KIIRDSIJHIDFRN-LBPRGKRZSA-N 1 2 255.325 2.225 40 0 CEABLO CC(C)CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1cccnc1 ZINC000097953702 528131191 /nfs/dbraw/zinc/13/11/91/528131191.db2.gz LWKCICABRXFIII-GVDBMIGSSA-N 1 2 290.407 2.486 40 0 CEABLO CC(C)CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1cccnc1 ZINC000097953702 528131197 /nfs/dbraw/zinc/13/11/97/528131197.db2.gz LWKCICABRXFIII-GVDBMIGSSA-N 1 2 290.407 2.486 40 0 CEABLO [NH3+][C@H](c1nc(COc2ccccc2)n[nH]1)c1ccccc1 ZINC000095533380 185006578 /nfs/dbraw/zinc/00/65/78/185006578.db2.gz YZFGXBBBNWFYLF-HNNXBMFYSA-N 1 2 280.331 2.432 40 0 CEABLO COC[C@H]1Cn2ccnc2C[N@H+](Cc2ccc(C)o2)C1 ZINC000096059069 185078668 /nfs/dbraw/zinc/07/86/68/185078668.db2.gz VNQMLVNSKCNVLC-CYBMUJFWSA-N 1 2 275.352 2.063 40 0 CEABLO COC[C@H]1Cn2ccnc2C[N@@H+](Cc2ccc(C)o2)C1 ZINC000096059069 185078669 /nfs/dbraw/zinc/07/86/69/185078669.db2.gz VNQMLVNSKCNVLC-CYBMUJFWSA-N 1 2 275.352 2.063 40 0 CEABLO COC[C@H]1C[N@H+](Cc2cccs2)Cc2ncn(C)c21 ZINC000096060181 185080376 /nfs/dbraw/zinc/08/03/76/185080376.db2.gz SVQMIJSCDXBCIO-LLVKDONJSA-N 1 2 277.393 2.227 40 0 CEABLO COC[C@H]1C[N@@H+](Cc2cccs2)Cc2ncn(C)c21 ZINC000096060181 185080378 /nfs/dbraw/zinc/08/03/78/185080378.db2.gz SVQMIJSCDXBCIO-LLVKDONJSA-N 1 2 277.393 2.227 40 0 CEABLO Nc1ccc([NH+]2CCCCC2)c(C(=O)NC2CC2)c1 ZINC000035244865 361819796 /nfs/dbraw/zinc/81/97/96/361819796.db2.gz FFTWJLFTBQHVRX-UHFFFAOYSA-N 1 2 259.353 2.151 40 0 CEABLO Cc1cn(C)c([C@@H]2C[N@H+](Cc3ccsc3)CCO2)n1 ZINC000585181421 345009272 /nfs/dbraw/zinc/00/92/72/345009272.db2.gz COIQBRRQYFGZDQ-ZDUSSCGKSA-N 1 2 277.393 2.364 40 0 CEABLO Cc1cn(C)c([C@@H]2C[N@@H+](Cc3ccsc3)CCO2)n1 ZINC000585181421 345009275 /nfs/dbraw/zinc/00/92/75/345009275.db2.gz COIQBRRQYFGZDQ-ZDUSSCGKSA-N 1 2 277.393 2.364 40 0 CEABLO Cc1cc(N2CCC[C@H](Cc3ncccn3)C2)nc[nH+]1 ZINC000072385528 363132939 /nfs/dbraw/zinc/13/29/39/363132939.db2.gz FBIMVTZGZIDAFP-CYBMUJFWSA-N 1 2 269.352 2.034 40 0 CEABLO COc1ccc2oc(C(=O)NCc3[nH+]ccn3C)c(C)c2c1 ZINC000019565649 361544000 /nfs/dbraw/zinc/54/40/00/361544000.db2.gz VKIWLNMXDDQSDJ-UHFFFAOYSA-N 1 2 299.330 2.413 40 0 CEABLO CCOC[C@@H]1c2c([nH+]cn2C(C)C)CCN1C(=O)C1CC1 ZINC000096260295 364418545 /nfs/dbraw/zinc/41/85/45/364418545.db2.gz MGHSGFUFITYUBE-CQSZACIVSA-N 1 2 291.395 2.336 40 0 CEABLO CCO[C@@H]1CCOC2(C[NH+](Cc3cccc(OC)c3)C2)C1 ZINC000247894687 371145016 /nfs/dbraw/zinc/14/50/16/371145016.db2.gz OBOXTZVORTWDRF-MRXNPFEDSA-N 1 2 291.391 2.465 40 0 CEABLO CC[C@H](C)n1nccc1C[NH2+]Cc1ccn(CCF)n1 ZINC000256055239 190005457 /nfs/dbraw/zinc/00/54/57/190005457.db2.gz ZVVKPIQHTHGMLX-LBPRGKRZSA-N 1 2 279.363 2.310 40 0 CEABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccncc3)C2)[nH+]1 ZINC000257205075 190011208 /nfs/dbraw/zinc/01/12/08/190011208.db2.gz AXNZVIOANHOSHU-CYBMUJFWSA-N 1 2 270.336 2.133 40 0 CEABLO Cc1cc(C)nc([C@@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000257221578 190014457 /nfs/dbraw/zinc/01/44/57/190014457.db2.gz DPRWHMNZLPXLHS-CYBMUJFWSA-N 1 2 254.337 2.482 40 0 CEABLO Cc1cc(C)nc([C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000257221579 190014569 /nfs/dbraw/zinc/01/45/69/190014569.db2.gz DPRWHMNZLPXLHS-ZDUSSCGKSA-N 1 2 254.337 2.482 40 0 CEABLO COc1cccc(C[N@@H+]2CC[C@@H](c3ccn[nH]3)C2)c1OC ZINC000257238492 190017866 /nfs/dbraw/zinc/01/78/66/190017866.db2.gz HLFHISNGBQCFRY-GFCCVEGCSA-N 1 2 287.363 2.416 40 0 CEABLO COc1cccc(C[N@H+]2CC[C@@H](c3ccn[nH]3)C2)c1OC ZINC000257238492 190017867 /nfs/dbraw/zinc/01/78/67/190017867.db2.gz HLFHISNGBQCFRY-GFCCVEGCSA-N 1 2 287.363 2.416 40 0 CEABLO CNc1cc([C@@H]2CCCN2Cc2cc(C)on2)[nH+]c(C)n1 ZINC000257272370 190024168 /nfs/dbraw/zinc/02/41/68/190024168.db2.gz NCDXFZFSNSDNOZ-AWEZNQCLSA-N 1 2 287.367 2.460 40 0 CEABLO CNc1cc([C@@H]2CCC[N@@H+]2Cc2cc(C)on2)nc(C)n1 ZINC000257272370 190024169 /nfs/dbraw/zinc/02/41/69/190024169.db2.gz NCDXFZFSNSDNOZ-AWEZNQCLSA-N 1 2 287.367 2.460 40 0 CEABLO CNc1cc([C@@H]2CCC[N@H+]2Cc2cc(C)on2)nc(C)n1 ZINC000257272370 190024170 /nfs/dbraw/zinc/02/41/70/190024170.db2.gz NCDXFZFSNSDNOZ-AWEZNQCLSA-N 1 2 287.367 2.460 40 0 CEABLO Cc1c[nH]c([C@H]2CCCN2C(=O)CCc2cccnc2)[nH+]1 ZINC000257327415 190035088 /nfs/dbraw/zinc/03/50/88/190035088.db2.gz XBFWDRMFVVZRCR-CQSZACIVSA-N 1 2 284.363 2.409 40 0 CEABLO CNc1cncc([C@@H]2CCC[N@@H+]2Cc2cncs2)n1 ZINC000257333365 190035344 /nfs/dbraw/zinc/03/53/44/190035344.db2.gz YBGNBTOYHSHLDG-LBPRGKRZSA-N 1 2 275.381 2.312 40 0 CEABLO CNc1cncc([C@@H]2CCC[N@H+]2Cc2cncs2)n1 ZINC000257333365 190035345 /nfs/dbraw/zinc/03/53/45/190035345.db2.gz YBGNBTOYHSHLDG-LBPRGKRZSA-N 1 2 275.381 2.312 40 0 CEABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cccn3C)C2)[nH+]1 ZINC000257340385 190037146 /nfs/dbraw/zinc/03/71/46/190037146.db2.gz ZFUPFMRHQZXANH-CYBMUJFWSA-N 1 2 286.379 2.087 40 0 CEABLO CNc1cc(N2CCc3cc(OC)ccc3C2)nc[nH+]1 ZINC000329060612 394560424 /nfs/dbraw/zinc/56/04/24/394560424.db2.gz WMSDZSGKVFEXLW-UHFFFAOYSA-N 1 2 270.336 2.090 40 0 CEABLO CNc1cc(N2CCc3cc(OC)ccc3C2)[nH+]cn1 ZINC000329060612 394560425 /nfs/dbraw/zinc/56/04/25/394560425.db2.gz WMSDZSGKVFEXLW-UHFFFAOYSA-N 1 2 270.336 2.090 40 0 CEABLO CCc1ccc(OC)c(S(=O)(=O)Nc2cc[nH+]cc2)c1 ZINC000004970415 170047034 /nfs/dbraw/zinc/04/70/34/170047034.db2.gz DPYOKZNNRLYYNJ-UHFFFAOYSA-N 1 2 292.360 2.453 40 0 CEABLO Cc1nc(N)cc([C@@H]2CC[N@@H+]2Cc2ccc(O)cc2)n1 ZINC000072387551 176392682 /nfs/dbraw/zinc/39/26/82/176392682.db2.gz OXSFWKCWDPXDDU-AWEZNQCLSA-N 1 2 270.336 2.020 40 0 CEABLO Cc1nc(N)cc([C@@H]2CC[N@H+]2Cc2ccc(O)cc2)n1 ZINC000072387551 176392684 /nfs/dbraw/zinc/39/26/84/176392684.db2.gz OXSFWKCWDPXDDU-AWEZNQCLSA-N 1 2 270.336 2.020 40 0 CEABLO COc1ccc(C[N@@H+]2CC[C@H]2c2cc(N)nc(C)n2)cc1 ZINC000072387601 176392775 /nfs/dbraw/zinc/39/27/75/176392775.db2.gz IXHNPQXUNYMAKY-HNNXBMFYSA-N 1 2 284.363 2.323 40 0 CEABLO COc1ccc(C[N@H+]2CC[C@H]2c2cc(N)nc(C)n2)cc1 ZINC000072387601 176392776 /nfs/dbraw/zinc/39/27/76/176392776.db2.gz IXHNPQXUNYMAKY-HNNXBMFYSA-N 1 2 284.363 2.323 40 0 CEABLO O=C1C[NH2+][C@H](c2ccccc2)[C@H](c2ccccc2)N1 ZINC000061952969 260235141 /nfs/dbraw/zinc/23/51/41/260235141.db2.gz OXNZYVLTFNKTNK-CVEARBPZSA-N 1 2 252.317 2.188 40 0 CEABLO Nc1nc(NC2CCCC2)c(Br)c[nH+]1 ZINC000087493450 295370597 /nfs/dbraw/zinc/37/05/97/295370597.db2.gz QMBGDPSPFPVKGS-UHFFFAOYSA-N 1 2 257.135 2.176 40 0 CEABLO COc1ccc(OCc2nnc([C@@H]([NH3+])C(C)C)[nH]2)cc1 ZINC000095534738 185007607 /nfs/dbraw/zinc/00/76/07/185007607.db2.gz GSBFUBFQPITBHB-ZDUSSCGKSA-N 1 2 276.340 2.048 40 0 CEABLO COCc1cnc2n1CC[N@@H+](Cc1cccnc1)[C@H]2C ZINC000096109529 185100200 /nfs/dbraw/zinc/10/02/00/185100200.db2.gz CYFMGKXJWORBOP-LBPRGKRZSA-N 1 2 272.352 2.001 40 0 CEABLO COCc1cnc2n1CC[N@H+](Cc1cccnc1)[C@H]2C ZINC000096109529 185100201 /nfs/dbraw/zinc/10/02/01/185100201.db2.gz CYFMGKXJWORBOP-LBPRGKRZSA-N 1 2 272.352 2.001 40 0 CEABLO Cc1cc2c(cc1C)C[NH+](CC(=O)NCC(C)C)C2 ZINC000008367527 343362398 /nfs/dbraw/zinc/36/23/98/343362398.db2.gz PIWMVCHEOPKUJQ-UHFFFAOYSA-N 1 2 260.381 2.391 40 0 CEABLO COCCc1nc(Nc2cc(C)ccc2OC)cc(N)[nH+]1 ZINC000049467775 362364333 /nfs/dbraw/zinc/36/43/33/362364333.db2.gz VCZUYJFYNHZFCH-UHFFFAOYSA-N 1 2 288.351 2.308 40 0 CEABLO COc1ccccc1[C@@H](NC(=O)C(C)C)c1[nH+]ccn1C ZINC000053341650 362490035 /nfs/dbraw/zinc/49/00/35/362490035.db2.gz MRXWJWSZILPANZ-CQSZACIVSA-N 1 2 287.363 2.290 40 0 CEABLO Cc1ccc(C[C@H]2CC[N@H+](Cc3ncc[nH]3)C[C@@H]2O)cc1 ZINC000585277742 345009779 /nfs/dbraw/zinc/00/97/79/345009779.db2.gz KXPVHLAVSXCLEX-CVEARBPZSA-N 1 2 285.391 2.144 40 0 CEABLO Cc1ccc(C[C@H]2CC[N@@H+](Cc3ncc[nH]3)C[C@@H]2O)cc1 ZINC000585277742 345009781 /nfs/dbraw/zinc/00/97/81/345009781.db2.gz KXPVHLAVSXCLEX-CVEARBPZSA-N 1 2 285.391 2.144 40 0 CEABLO CC[N@H+](Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000070980291 363106629 /nfs/dbraw/zinc/10/66/29/363106629.db2.gz UNGXLULZZZDOJS-GFCCVEGCSA-N 1 2 287.812 2.349 40 0 CEABLO CC[N@@H+](Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000070980291 363106634 /nfs/dbraw/zinc/10/66/34/363106634.db2.gz UNGXLULZZZDOJS-GFCCVEGCSA-N 1 2 287.812 2.349 40 0 CEABLO C[N@H+](Cc1ccccc1Cl)[C@]1(C)CCS(=O)(=O)C1 ZINC000575423113 366284082 /nfs/dbraw/zinc/28/40/82/366284082.db2.gz YFPIPQWYXLMHMP-CYBMUJFWSA-N 1 2 287.812 2.349 40 0 CEABLO C[N@@H+](Cc1ccccc1Cl)[C@]1(C)CCS(=O)(=O)C1 ZINC000575423113 366284084 /nfs/dbraw/zinc/28/40/84/366284084.db2.gz YFPIPQWYXLMHMP-CYBMUJFWSA-N 1 2 287.812 2.349 40 0 CEABLO CCC[NH+]1C=CC(=C2N=c3ccc(C)cc3=N2)C=C1 ZINC000409416118 283315939 /nfs/dbraw/zinc/31/59/39/283315939.db2.gz QMKPKWZFDHYWST-UHFFFAOYSA-N 1 2 251.333 2.212 40 0 CEABLO [NH2+]=c1ccccn1C[C@H](O)COc1ccc(Cl)cc1 ZINC000017020111 361502859 /nfs/dbraw/zinc/50/28/59/361502859.db2.gz HIMWLGQWDZMNDY-LBPRGKRZSA-N 1 2 278.739 2.061 40 0 CEABLO CC[C@H](C)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000019933025 361569369 /nfs/dbraw/zinc/56/93/69/361569369.db2.gz MFDHCSVLSQJJGL-ZDUSSCGKSA-N 1 2 276.380 2.047 40 0 CEABLO CCCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000019933397 361569399 /nfs/dbraw/zinc/56/93/99/361569399.db2.gz OANHYVGCTJNBBX-UHFFFAOYSA-N 1 2 276.380 2.049 40 0 CEABLO COC(=O)[C@H](C(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000022123386 361586846 /nfs/dbraw/zinc/58/68/46/361586846.db2.gz XNUGTCRMKKSQBQ-HNNXBMFYSA-N 1 2 276.380 2.006 40 0 CEABLO Cc1cnc(N2CCN(CC3CC3)c3[nH+]cccc3C2)nc1 ZINC000096198914 364408752 /nfs/dbraw/zinc/40/87/52/364408752.db2.gz XGFQTFUNVPLPRM-UHFFFAOYSA-N 1 2 295.390 2.417 40 0 CEABLO CC(=O)N1CCN(c2cc[nH+]c(C)n2)C[C@@H]1c1ccccc1 ZINC000257290030 371610521 /nfs/dbraw/zinc/61/05/21/371610521.db2.gz QBFYPSPJBVIMFL-MRXNPFEDSA-N 1 2 296.374 2.195 40 0 CEABLO Cc1c[nH]nc1C[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000257318624 371613458 /nfs/dbraw/zinc/61/34/58/371613458.db2.gz VOSSRCMTEOHJKX-CYBMUJFWSA-N 1 2 271.368 2.276 40 0 CEABLO CNc1cc([C@H]2CCCN(C(=O)c3cnco3)C2)cc[nH+]1 ZINC000257203755 190011555 /nfs/dbraw/zinc/01/15/55/190011555.db2.gz ARMUDJIHSSVDML-LBPRGKRZSA-N 1 2 286.335 2.131 40 0 CEABLO CN(C)c1cccc([C@@H]2C[N@H+](Cc3ccccn3)CCO2)n1 ZINC000257231694 190015915 /nfs/dbraw/zinc/01/59/15/190015915.db2.gz GHWLHQDJWIEIOR-INIZCTEOSA-N 1 2 298.390 2.116 40 0 CEABLO CN(C)c1cccc([C@@H]2C[N@@H+](Cc3ccccn3)CCO2)n1 ZINC000257231694 190015916 /nfs/dbraw/zinc/01/59/16/190015916.db2.gz GHWLHQDJWIEIOR-INIZCTEOSA-N 1 2 298.390 2.116 40 0 CEABLO COCC[N@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2Cc1cnccn1 ZINC000257326009 190034208 /nfs/dbraw/zinc/03/42/08/190034208.db2.gz WVJQAMHYCALMIV-IIAWOOMASA-N 1 2 275.396 2.014 40 0 CEABLO COCC[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2Cc1cnccn1 ZINC000257326009 190034209 /nfs/dbraw/zinc/03/42/09/190034209.db2.gz WVJQAMHYCALMIV-IIAWOOMASA-N 1 2 275.396 2.014 40 0 CEABLO Cc1noc(C)c1-c1cccc(C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000257329952 190034557 /nfs/dbraw/zinc/03/45/57/190034557.db2.gz XMDVZTOVMQKIKG-UHFFFAOYSA-N 1 2 297.318 2.007 40 0 CEABLO CN(C)c1cc([C@@H]2CCC[N@@H+]2Cc2nccn2C)ccn1 ZINC000257326697 190034963 /nfs/dbraw/zinc/03/49/63/190034963.db2.gz WYFOIYBAHLVSKX-AWEZNQCLSA-N 1 2 285.395 2.218 40 0 CEABLO CN(C)c1cc([C@@H]2CCC[N@H+]2Cc2nccn2C)ccn1 ZINC000257326697 190034964 /nfs/dbraw/zinc/03/49/64/190034964.db2.gz WYFOIYBAHLVSKX-AWEZNQCLSA-N 1 2 285.395 2.218 40 0 CEABLO CNc1cc([C@@H]2CCCN2C(=O)CCn2cc[nH+]c2)ccn1 ZINC000257331594 190035376 /nfs/dbraw/zinc/03/53/76/190035376.db2.gz XTNLMYSFKVRYHM-AWEZNQCLSA-N 1 2 299.378 2.074 40 0 CEABLO S=C(NC1CC1)N1CC[NH+](/C=C/c2ccccc2)CC1 ZINC000261526541 190040768 /nfs/dbraw/zinc/04/07/68/190040768.db2.gz ACRIXHMLIFOTAZ-CMDGGOBGSA-N 1 2 287.432 2.312 40 0 CEABLO C[C@@H]1Cc2ccccc2CN1c1cc(NCCCO)[nH+]cn1 ZINC000328961061 376927655 /nfs/dbraw/zinc/92/76/55/376927655.db2.gz BAUAWEPCKGGYKE-CYBMUJFWSA-N 1 2 298.390 2.222 40 0 CEABLO C[C@@H]1Cc2ccccc2CN1c1cc(NCCCO)nc[nH+]1 ZINC000328961061 376927656 /nfs/dbraw/zinc/92/76/56/376927656.db2.gz BAUAWEPCKGGYKE-CYBMUJFWSA-N 1 2 298.390 2.222 40 0 CEABLO CSc1nc(N2CCCC2)c(C=O)c(N2CCCC2)[nH+]1 ZINC000217689908 394455175 /nfs/dbraw/zinc/45/51/75/394455175.db2.gz JVYHNTUMLHOYIN-UHFFFAOYSA-N 1 2 292.408 2.211 40 0 CEABLO Cc1cc(N2CCOCC2)[nH+]cc1C(=O)c1ccccc1 ZINC000072223548 394594235 /nfs/dbraw/zinc/59/42/35/394594235.db2.gz UDBZJWMPMDAHES-UHFFFAOYSA-N 1 2 282.343 2.458 40 0 CEABLO Brc1cnc2c(c1)C(C1CC1)=[NH+]CN2 ZINC000096028537 394676170 /nfs/dbraw/zinc/67/61/70/394676170.db2.gz RYZDWUGCRZUHGE-UHFFFAOYSA-N 1 2 252.115 2.426 40 0 CEABLO O=S(=O)(CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000001699166 169744787 /nfs/dbraw/zinc/74/47/87/169744787.db2.gz UMXRRDKHQHPMSX-UHFFFAOYSA-N 1 2 271.357 2.085 40 0 CEABLO c1cn(-c2cccc([C@H]3CCCN3c3cnccn3)n2)c[nH+]1 ZINC000072355557 176374764 /nfs/dbraw/zinc/37/47/64/176374764.db2.gz KKVHOLZKLCUPDQ-CQSZACIVSA-N 1 2 292.346 2.399 40 0 CEABLO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+]1CCO[C@@H](C)C1 ZINC000195548669 279214567 /nfs/dbraw/zinc/21/45/67/279214567.db2.gz ZVDLOJVDZZCZDB-MELADBBJSA-N 1 2 288.391 2.073 40 0 CEABLO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+]1CCO[C@@H](C)C1 ZINC000195548669 279214568 /nfs/dbraw/zinc/21/45/68/279214568.db2.gz ZVDLOJVDZZCZDB-MELADBBJSA-N 1 2 288.391 2.073 40 0 CEABLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CCO[C@@H](C)C1 ZINC000195548672 298116172 /nfs/dbraw/zinc/11/61/72/298116172.db2.gz ZVDLOJVDZZCZDB-HZSPNIEDSA-N 1 2 288.391 2.073 40 0 CEABLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CCO[C@@H](C)C1 ZINC000195548672 298116174 /nfs/dbraw/zinc/11/61/74/298116174.db2.gz ZVDLOJVDZZCZDB-HZSPNIEDSA-N 1 2 288.391 2.073 40 0 CEABLO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1c(C)noc1C ZINC000096041437 185070721 /nfs/dbraw/zinc/07/07/21/185070721.db2.gz YNIRZMNZOKDPEJ-RRFJBIMHSA-N 1 2 280.368 2.060 40 0 CEABLO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1c(C)noc1C ZINC000096041437 185070723 /nfs/dbraw/zinc/07/07/23/185070723.db2.gz YNIRZMNZOKDPEJ-RRFJBIMHSA-N 1 2 280.368 2.060 40 0 CEABLO COC[C@H]1C[N@H+](Cc2ccc(F)cc2)Cc2ncn(C)c21 ZINC000096060191 185081677 /nfs/dbraw/zinc/08/16/77/185081677.db2.gz SRMRQLQKVDIYIU-CYBMUJFWSA-N 1 2 289.354 2.305 40 0 CEABLO COC[C@H]1C[N@@H+](Cc2ccc(F)cc2)Cc2ncn(C)c21 ZINC000096060191 185081678 /nfs/dbraw/zinc/08/16/78/185081678.db2.gz SRMRQLQKVDIYIU-CYBMUJFWSA-N 1 2 289.354 2.305 40 0 CEABLO COC[C@H]1CN(Cc2ccc(F)cc2)Cc2[nH+]cn(C)c21 ZINC000096060191 185081680 /nfs/dbraw/zinc/08/16/80/185081680.db2.gz SRMRQLQKVDIYIU-CYBMUJFWSA-N 1 2 289.354 2.305 40 0 CEABLO CCOC[C@H]1CN(Cc2ccoc2)Cc2[nH+]cn(C)c21 ZINC000096060205 185080165 /nfs/dbraw/zinc/08/01/65/185080165.db2.gz DVENLMXJLHJNGP-CYBMUJFWSA-N 1 2 275.352 2.149 40 0 CEABLO CCn1nnc2c1[C@@H](COC)C[N@H+](Cc1ccsc1)C2 ZINC000096060826 185083053 /nfs/dbraw/zinc/08/30/53/185083053.db2.gz ZGNODXCKHAAMFQ-GFCCVEGCSA-N 1 2 292.408 2.105 40 0 CEABLO CCn1nnc2c1[C@@H](COC)C[N@@H+](Cc1ccsc1)C2 ZINC000096060826 185083054 /nfs/dbraw/zinc/08/30/54/185083054.db2.gz ZGNODXCKHAAMFQ-GFCCVEGCSA-N 1 2 292.408 2.105 40 0 CEABLO COC(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)c(F)c1 ZINC000095639575 344237428 /nfs/dbraw/zinc/23/74/28/344237428.db2.gz AXNDYQBDKSWHQK-QMMMGPOBSA-N 1 2 251.179 2.017 40 0 CEABLO C[NH2+][C@H]1NC(=O)c2ccccc2N1Cc1ccc(F)cc1 ZINC000057680549 362590699 /nfs/dbraw/zinc/59/06/99/362590699.db2.gz IBDIVVAMYPQHIJ-INIZCTEOSA-N 1 2 285.322 2.079 40 0 in-vitro CEABLO Cc1c[nH]nc1C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000072364315 363131077 /nfs/dbraw/zinc/13/10/77/363131077.db2.gz MQYOWWZKVIIQDV-UHFFFAOYSA-N 1 2 257.341 2.201 40 0 CEABLO CNc1cc(-c2cccnc2)[nH+]c(NC(C)(C)C)n1 ZINC000329004821 202148083 /nfs/dbraw/zinc/14/80/83/202148083.db2.gz KUIOVBANBGEKRR-UHFFFAOYSA-N 1 2 257.341 2.213 40 0 CEABLO COc1ccc2c(c1)CC[C@H]([N@@H+]1CCCC(=O)C1)C2 ZINC000001672618 361216234 /nfs/dbraw/zinc/21/62/34/361216234.db2.gz OHMWSEMESYBIMK-AWEZNQCLSA-N 1 2 259.349 2.217 40 0 CEABLO COc1ccc2c(c1)CC[C@H]([N@H+]1CCCC(=O)C1)C2 ZINC000001672618 361216239 /nfs/dbraw/zinc/21/62/39/361216239.db2.gz OHMWSEMESYBIMK-AWEZNQCLSA-N 1 2 259.349 2.217 40 0 CEABLO CO[C@@H]1CCOC2(C[NH+](Cc3ccccc3F)C2)C1 ZINC000247931064 371146953 /nfs/dbraw/zinc/14/69/53/371146953.db2.gz FSHXNFGIBXUDRY-CYBMUJFWSA-N 1 2 265.328 2.206 40 0 CEABLO COC[C@H]1CN(Cc2ccsc2)Cc2c[nH+]cn21 ZINC000247916012 371146453 /nfs/dbraw/zinc/14/64/53/371146453.db2.gz ZMMHOOQWMGCKBH-CYBMUJFWSA-N 1 2 263.366 2.148 40 0 CEABLO Cc1ncc(C[N@@H+]2CCCC[C@H]2c2ccncn2)cn1 ZINC000257344139 371612766 /nfs/dbraw/zinc/61/27/66/371612766.db2.gz ZVXYHUUMVIMIJB-HNNXBMFYSA-N 1 2 269.352 2.302 40 0 CEABLO Cc1ncc(C[N@H+]2CCCC[C@H]2c2ccncn2)cn1 ZINC000257344139 371612772 /nfs/dbraw/zinc/61/27/72/371612772.db2.gz ZVXYHUUMVIMIJB-HNNXBMFYSA-N 1 2 269.352 2.302 40 0 CEABLO FCCn1ccc(C[NH2+]Cc2cnn(C3CCCC3)c2)n1 ZINC000256049873 190002914 /nfs/dbraw/zinc/00/29/14/190002914.db2.gz BUUSLVKFONJVQD-UHFFFAOYSA-N 1 2 291.374 2.454 40 0 CEABLO CNc1ncccc1C[N@@H+]1CCC[C@H](Cc2ccn[nH]2)C1 ZINC000257216164 190013864 /nfs/dbraw/zinc/01/38/64/190013864.db2.gz CTKRMWAWFLTGDQ-CYBMUJFWSA-N 1 2 285.395 2.301 40 0 CEABLO CNc1ncccc1C[N@H+]1CCC[C@H](Cc2ccn[nH]2)C1 ZINC000257216164 190013865 /nfs/dbraw/zinc/01/38/65/190013865.db2.gz CTKRMWAWFLTGDQ-CYBMUJFWSA-N 1 2 285.395 2.301 40 0 CEABLO Cc1cc(CC2CCN(C(=O)c3cnccn3)CC2)cc[nH+]1 ZINC000257272353 190024233 /nfs/dbraw/zinc/02/42/33/190024233.db2.gz NCCCQFVDEVFZDN-UHFFFAOYSA-N 1 2 296.374 2.275 40 0 CEABLO Cc1cn(C)c([C@@H]2C[N@H+](Cc3ncccc3C)CCO2)n1 ZINC000257312677 190032290 /nfs/dbraw/zinc/03/22/90/190032290.db2.gz UPBSENXWGOFIPO-HNNXBMFYSA-N 1 2 286.379 2.005 40 0 CEABLO Cc1cn(C)c([C@@H]2C[N@@H+](Cc3ncccc3C)CCO2)n1 ZINC000257312677 190032291 /nfs/dbraw/zinc/03/22/91/190032291.db2.gz UPBSENXWGOFIPO-HNNXBMFYSA-N 1 2 286.379 2.005 40 0 CEABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cc(C)on3)C2)[nH+]1 ZINC000257329486 190034654 /nfs/dbraw/zinc/03/46/54/190034654.db2.gz XKEFKCRFUXRQSL-GFCCVEGCSA-N 1 2 288.351 2.045 40 0 CEABLO Cc1cc(CNC(=O)OC(C)(C)C)c[nH+]c1N(C)C ZINC000072222061 394594515 /nfs/dbraw/zinc/59/45/15/394594515.db2.gz RGFPLSQUNYFRHN-UHFFFAOYSA-N 1 2 265.357 2.481 40 0 CEABLO O=C(NCCc1c[nH+]c[nH]1)c1ccc(Br)cc1 ZINC000006622508 170219889 /nfs/dbraw/zinc/21/98/89/170219889.db2.gz WIKZUEBLVVAEGI-UHFFFAOYSA-N 1 2 294.152 2.145 40 0 CEABLO O=C(NCCc1c[nH]c[nH+]1)c1ccc(Br)cc1 ZINC000006622508 170219891 /nfs/dbraw/zinc/21/98/91/170219891.db2.gz WIKZUEBLVVAEGI-UHFFFAOYSA-N 1 2 294.152 2.145 40 0 CEABLO CCOC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCC1=O ZINC000071623873 176235377 /nfs/dbraw/zinc/23/53/77/176235377.db2.gz QYILJAGPONBKJX-AWEZNQCLSA-N 1 2 275.348 2.031 40 0 CEABLO CCOC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCC1=O ZINC000071623873 176235379 /nfs/dbraw/zinc/23/53/79/176235379.db2.gz QYILJAGPONBKJX-AWEZNQCLSA-N 1 2 275.348 2.031 40 0 CEABLO Cc1ccc(C2(O)CC[NH+](Cc3ncc[nH]3)CC2)cc1 ZINC000072344684 176373243 /nfs/dbraw/zinc/37/32/43/176373243.db2.gz OKDQLMGIQPPFGK-UHFFFAOYSA-N 1 2 271.364 2.202 40 0 CEABLO C[N@@H+]1CCO[C@](C)(C(=O)Nc2nc(C(C)(C)C)cs2)C1 ZINC000072379325 176386754 /nfs/dbraw/zinc/38/67/54/176386754.db2.gz RRBUYEXBZMESJN-AWEZNQCLSA-N 1 2 297.424 2.100 40 0 CEABLO C[N@H+]1CCO[C@](C)(C(=O)Nc2nc(C(C)(C)C)cs2)C1 ZINC000072379325 176386755 /nfs/dbraw/zinc/38/67/55/176386755.db2.gz RRBUYEXBZMESJN-AWEZNQCLSA-N 1 2 297.424 2.100 40 0 CEABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cc(C)on3)C2)[nH+]1 ZINC000257329487 292839042 /nfs/dbraw/zinc/83/90/42/292839042.db2.gz XKEFKCRFUXRQSL-LBPRGKRZSA-N 1 2 288.351 2.045 40 0 CEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cccc(C)c2)[nH+]1 ZINC000257294840 301024864 /nfs/dbraw/zinc/02/48/64/301024864.db2.gz QVYGWCIBMXFNPE-AWEZNQCLSA-N 1 2 285.347 2.240 40 0 CEABLO COc1ccc([C@H]([NH3+])c2nc(C(C)(C)C)n[nH]2)cc1 ZINC000095533735 185006838 /nfs/dbraw/zinc/00/68/38/185006838.db2.gz DUCWNSLQBGTMGI-NSHDSACASA-N 1 2 260.341 2.159 40 0 CEABLO COc1ccc([C@H]([NH3+])c2nnc(C(C)(C)C)[nH]2)cc1 ZINC000095533735 185006839 /nfs/dbraw/zinc/00/68/39/185006839.db2.gz DUCWNSLQBGTMGI-NSHDSACASA-N 1 2 260.341 2.159 40 0 CEABLO CCOC[C@@H]1Cn2ccnc2C[N@H+](Cc2ccoc2)C1 ZINC000096059115 185079387 /nfs/dbraw/zinc/07/93/87/185079387.db2.gz KYOQEFUQTVUTLO-AWEZNQCLSA-N 1 2 275.352 2.145 40 0 CEABLO CCOC[C@@H]1Cn2ccnc2C[N@@H+](Cc2ccoc2)C1 ZINC000096059115 185079388 /nfs/dbraw/zinc/07/93/88/185079388.db2.gz KYOQEFUQTVUTLO-AWEZNQCLSA-N 1 2 275.352 2.145 40 0 CEABLO CCOC[C@@H]1Cn2cc[nH+]c2CN(Cc2ccoc2)C1 ZINC000096059115 185079389 /nfs/dbraw/zinc/07/93/89/185079389.db2.gz KYOQEFUQTVUTLO-AWEZNQCLSA-N 1 2 275.352 2.145 40 0 CEABLO Cc1nn(-c2ccc(Cl)cc2C)c2nc(N)[nH+]c(N)c12 ZINC000013211913 282240970 /nfs/dbraw/zinc/24/09/70/282240970.db2.gz BSVJOFRCFKVGSP-UHFFFAOYSA-N 1 2 288.742 2.250 40 0 CEABLO CC[N@H+](Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000070980137 343798490 /nfs/dbraw/zinc/79/84/90/343798490.db2.gz GHAIYAOOOUSXDD-CYBMUJFWSA-N 1 2 287.812 2.349 40 0 CEABLO CC[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000070980137 343798492 /nfs/dbraw/zinc/79/84/92/343798492.db2.gz GHAIYAOOOUSXDD-CYBMUJFWSA-N 1 2 287.812 2.349 40 0 CEABLO C[C@@H](SCc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC000054371864 362533545 /nfs/dbraw/zinc/53/35/45/362533545.db2.gz GZULVOXXKKVZCV-CYBMUJFWSA-N 1 2 278.421 2.082 40 0 CEABLO Cc1ccc(Nc2nc(NN)[nH+]c(NC(C)(C)C)n2)cc1 ZINC000000363250 361165624 /nfs/dbraw/zinc/16/56/24/361165624.db2.gz KBTKUPXFCWMCOS-UHFFFAOYSA-N 1 2 287.371 2.420 40 0 CEABLO CCn1c(C)[nH+]c2cc(NC(=O)Cn3cccn3)ccc21 ZINC000019656462 361546724 /nfs/dbraw/zinc/54/67/24/361546724.db2.gz MRQWLUWUXXVPDY-UHFFFAOYSA-N 1 2 283.335 2.200 40 0 CEABLO CN1CCN(C(=O)c2ccsc2)Cc2ccc[nH+]c21 ZINC000096198788 364408620 /nfs/dbraw/zinc/40/86/20/364408620.db2.gz YLBMTHVESIRENM-UHFFFAOYSA-N 1 2 273.361 2.235 40 0 CEABLO Cc1cc(N2CCO[C@@H](Cc3cccc(F)c3)C2)nc[nH+]1 ZINC000257323370 371613770 /nfs/dbraw/zinc/61/37/70/371613770.db2.gz WJWYZALNGTYEHB-HNNXBMFYSA-N 1 2 287.338 2.372 40 0 CEABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cscn3)C2)[nH+]1 ZINC000257312663 371613850 /nfs/dbraw/zinc/61/38/50/371613850.db2.gz UPAHBIAXWZBBMF-LLVKDONJSA-N 1 2 290.392 2.205 40 0 CEABLO CCn1ncc(C)c1C[NH2+]Cc1ccn(C(F)F)n1 ZINC000256052659 190004631 /nfs/dbraw/zinc/00/46/31/190004631.db2.gz OEKZIJBGWICVHJ-UHFFFAOYSA-N 1 2 269.299 2.093 40 0 CEABLO CCn1cc(C[NH2+]Cc2ccn(C(C)C)n2)c(C)n1 ZINC000256054853 190005481 /nfs/dbraw/zinc/00/54/81/190005481.db2.gz YBINNHOTWQDRNJ-UHFFFAOYSA-N 1 2 261.373 2.279 40 0 CEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)COc3ccccc3)C2)[nH+]1 ZINC000257208786 190012137 /nfs/dbraw/zinc/01/21/37/190012137.db2.gz BNOMJKMJJRKBKN-CQSZACIVSA-N 1 2 299.374 2.123 40 0 CEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)Cc3ccccc3F)C2)[nH+]1 ZINC000257258952 190021809 /nfs/dbraw/zinc/02/18/09/190021809.db2.gz KWFAVZVIUJFEPV-CYBMUJFWSA-N 1 2 287.338 2.416 40 0 CEABLO Cn1nccc1-c1cccc(CC2CC[NH+](C)CC2)n1 ZINC000257323058 190034165 /nfs/dbraw/zinc/03/41/65/190034165.db2.gz WIOVFDAFGHVIHH-UHFFFAOYSA-N 1 2 270.380 2.366 40 0 CEABLO COc1cccc(NCCc2nc([C@@H]([NH3+])C(C)C)n[nH]2)c1 ZINC000095534744 256745324 /nfs/dbraw/zinc/74/53/24/256745324.db2.gz KAIWZTIPMIZNCY-AWEZNQCLSA-N 1 2 289.383 2.124 40 0 CEABLO CO[C@H]1Cn2nccc2C[N@H+](Cc2ccccc2F)C1 ZINC000247844316 286118563 /nfs/dbraw/zinc/11/85/63/286118563.db2.gz MDZQKWCRSLUJNS-CQSZACIVSA-N 1 2 275.327 2.053 40 0 CEABLO CO[C@H]1Cn2nccc2C[N@@H+](Cc2ccccc2F)C1 ZINC000247844316 286118564 /nfs/dbraw/zinc/11/85/64/286118564.db2.gz MDZQKWCRSLUJNS-CQSZACIVSA-N 1 2 275.327 2.053 40 0 CEABLO CNc1cc(C)nc([C@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000072364151 176378878 /nfs/dbraw/zinc/37/88/78/176378878.db2.gz BIAPHKMMILFVGW-GFCCVEGCSA-N 1 2 284.367 2.267 40 0 CEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2sccc2C)[nH+]1 ZINC000257240617 301025139 /nfs/dbraw/zinc/02/51/39/301025139.db2.gz HUIILFLAKUNGDQ-LLVKDONJSA-N 1 2 291.376 2.302 40 0 CEABLO O=C(CSCc1ccccc1)NCCCn1cc[nH+]c1 ZINC000006597337 534668511 /nfs/dbraw/zinc/66/85/11/534668511.db2.gz ZGUBYEFGYROPJV-UHFFFAOYSA-N 1 2 289.404 2.323 40 0 CEABLO CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cc(N)cc[nH+]2)C1 ZINC000328579417 627892287 /nfs/dbraw/zinc/89/22/87/627892287.db2.gz HBLRRXXOISCDCY-GFCCVEGCSA-N 1 2 293.367 2.442 40 0 CEABLO COc1ccc(OCc2nnc([C@H]([NH3+])C(C)C)[nH]2)cc1 ZINC000095534739 185005753 /nfs/dbraw/zinc/00/57/53/185005753.db2.gz GSBFUBFQPITBHB-CYBMUJFWSA-N 1 2 276.340 2.048 40 0 CEABLO [NH3+][C@H](Cc1ccccc1)c1nc(-c2cccc(O)c2)n[nH]1 ZINC000095534847 185008145 /nfs/dbraw/zinc/00/81/45/185008145.db2.gz IOHTVRNCKHTFNG-CQSZACIVSA-N 1 2 280.331 2.420 40 0 CEABLO CCCC[C@@H](CC)[C@H]1OC[C@H](C[NH+]2CCOCC2)O1 ZINC000033361983 361777674 /nfs/dbraw/zinc/77/76/74/361777674.db2.gz WTORLAHASRLLDB-ILXRZTDVSA-N 1 2 271.401 2.277 40 0 CEABLO COCc1cncc2c1CC[N@H+](Cc1ccoc1)C2 ZINC000096059254 185079331 /nfs/dbraw/zinc/07/93/31/185079331.db2.gz ZCQNZYQCRGGYJM-UHFFFAOYSA-N 1 2 258.321 2.379 40 0 CEABLO COCc1cncc2c1CC[N@@H+](Cc1ccoc1)C2 ZINC000096059254 185079332 /nfs/dbraw/zinc/07/93/32/185079332.db2.gz ZCQNZYQCRGGYJM-UHFFFAOYSA-N 1 2 258.321 2.379 40 0 CEABLO CC1(C)Cc2ccccc2CN1c1cc(NCCO)[nH+]cn1 ZINC000329072465 136377645 /nfs/dbraw/zinc/37/76/45/136377645.db2.gz ZYGXKQRFXNEUNT-UHFFFAOYSA-N 1 2 298.390 2.222 40 0 CEABLO CC1(C)Cc2ccccc2CN1c1cc(NCCO)nc[nH+]1 ZINC000329072465 136377646 /nfs/dbraw/zinc/37/76/46/136377646.db2.gz ZYGXKQRFXNEUNT-UHFFFAOYSA-N 1 2 298.390 2.222 40 0 CEABLO Cc1cccc(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000129974483 136388146 /nfs/dbraw/zinc/38/81/46/136388146.db2.gz DZMLVLHKOYPEAT-AWEZNQCLSA-N 1 2 296.374 2.184 40 0 CEABLO Cc1nc(N2CC[C@H](Cc3ccccc3)[C@@H](O)C2)cc[nH+]1 ZINC000585277113 345010205 /nfs/dbraw/zinc/01/02/05/345010205.db2.gz FVLHUDPVHLEAOX-CVEARBPZSA-N 1 2 283.375 2.215 40 0 CEABLO CNc1cc(C)[nH+]c(Nc2ccc3c(c2)OCO3)n1 ZINC000074934165 363424161 /nfs/dbraw/zinc/42/41/61/363424161.db2.gz SSPHSMUNOMQFEC-UHFFFAOYSA-N 1 2 258.281 2.299 40 0 CEABLO CNc1nc(NCc2cccs2)cc(-c2ccncc2)[nH+]1 ZINC000328979636 202138168 /nfs/dbraw/zinc/13/81/68/202138168.db2.gz GIQBGLNCLDCRDZ-UHFFFAOYSA-N 1 2 297.387 2.098 40 0 CEABLO C=CC(=O)N1CCN(CC(C)C)c2[nH+]cccc2C1 ZINC000096198825 364409031 /nfs/dbraw/zinc/40/90/31/364409031.db2.gz JPIHOIPMCJVIKM-UHFFFAOYSA-N 1 2 259.353 2.072 40 0 CEABLO COC[C@H]1c2c(cnn2C)CC[N@H+]1Cc1ccsc1 ZINC000096197704 364409199 /nfs/dbraw/zinc/40/91/99/364409199.db2.gz BUFIPDXQCAIINI-ZDUSSCGKSA-N 1 2 277.393 2.227 40 0 CEABLO COC[C@H]1c2c(cnn2C)CC[N@@H+]1Cc1ccsc1 ZINC000096197704 364409205 /nfs/dbraw/zinc/40/92/05/364409205.db2.gz BUFIPDXQCAIINI-ZDUSSCGKSA-N 1 2 277.393 2.227 40 0 CEABLO CN1CCN(C(=O)CCc2ccccc2)Cc2ccc[nH+]c21 ZINC000096198802 364409493 /nfs/dbraw/zinc/40/94/93/364409493.db2.gz XMRQKBYAVCZTHW-UHFFFAOYSA-N 1 2 295.386 2.493 40 0 CEABLO S=C(NCc1ccc2c(c1)OCO2)Nc1cc[nH+]cc1 ZINC000224044822 370276014 /nfs/dbraw/zinc/27/60/14/370276014.db2.gz DEFSOWAPDHQAAI-UHFFFAOYSA-N 1 2 287.344 2.297 40 0 CEABLO COc1ccc(C[NH+]2CC3(C2)C[C@H](OC)CCO3)cc1 ZINC000247898748 371145006 /nfs/dbraw/zinc/14/50/06/371145006.db2.gz PUPSVJWFJHOZAU-OAHLLOKOSA-N 1 2 277.364 2.075 40 0 CEABLO Cc1nn(C)c(C)c1C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000257339584 371612657 /nfs/dbraw/zinc/61/26/57/371612657.db2.gz ZCKBNUHMUJSYND-HNNXBMFYSA-N 1 2 273.384 2.487 40 0 CEABLO Cc1nn(C)c(C)c1C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000257339584 371612660 /nfs/dbraw/zinc/61/26/60/371612660.db2.gz ZCKBNUHMUJSYND-HNNXBMFYSA-N 1 2 273.384 2.487 40 0 CEABLO CNc1nccnc1C[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000257339541 371613012 /nfs/dbraw/zinc/61/30/12/371613012.db2.gz ZCEJDJPUTIISBY-CYBMUJFWSA-N 1 2 298.394 2.076 40 0 CEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)C=Cc2ccccc2)[nH+]1 ZINC000257204534 190011425 /nfs/dbraw/zinc/01/14/25/190011425.db2.gz AVBKZKHHOIOEFP-KIUWMYQTSA-N 1 2 297.358 2.331 40 0 CEABLO Cc1c[nH]c([C@@H]2CCCN2S(=O)(=O)c2cccs2)[nH+]1 ZINC000257235790 190017398 /nfs/dbraw/zinc/01/73/98/190017398.db2.gz GZMDPWSAXYTZNJ-JTQLQIEISA-N 1 2 297.405 2.305 40 0 CEABLO c1sc(Nc2ncccn2)nc1C1CC[NH2+]CC1 ZINC000257240151 190018878 /nfs/dbraw/zinc/01/88/78/190018878.db2.gz HSFZXIVPGMRXDJ-UHFFFAOYSA-N 1 2 261.354 2.144 40 0 CEABLO CNc1cc([C@H]2CCC[N@@H+]2Cc2nccn2C)ccn1 ZINC000257241481 190018910 /nfs/dbraw/zinc/01/89/10/190018910.db2.gz HYEFHYWMKWISTE-CYBMUJFWSA-N 1 2 271.368 2.194 40 0 CEABLO CNc1cc([C@H]2CCC[N@H+]2Cc2nccn2C)ccn1 ZINC000257241481 190018911 /nfs/dbraw/zinc/01/89/11/190018911.db2.gz HYEFHYWMKWISTE-CYBMUJFWSA-N 1 2 271.368 2.194 40 0 CEABLO CCn1cc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cn1 ZINC000257245389 190019335 /nfs/dbraw/zinc/01/93/35/190019335.db2.gz IPGVIWANMNDLMT-AWEZNQCLSA-N 1 2 259.357 2.353 40 0 CEABLO CCn1cc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cn1 ZINC000257245389 190019336 /nfs/dbraw/zinc/01/93/36/190019336.db2.gz IPGVIWANMNDLMT-AWEZNQCLSA-N 1 2 259.357 2.353 40 0 CEABLO CNc1cc([C@H]2CCCN2Cc2cc(C)on2)[nH+]c(C)n1 ZINC000257272371 190023728 /nfs/dbraw/zinc/02/37/28/190023728.db2.gz NCDXFZFSNSDNOZ-CQSZACIVSA-N 1 2 287.367 2.460 40 0 CEABLO CNc1cc([C@H]2CCC[N@@H+]2Cc2cc(C)on2)nc(C)n1 ZINC000257272371 190023729 /nfs/dbraw/zinc/02/37/29/190023729.db2.gz NCDXFZFSNSDNOZ-CQSZACIVSA-N 1 2 287.367 2.460 40 0 CEABLO CNc1cc([C@H]2CCC[N@H+]2Cc2cc(C)on2)nc(C)n1 ZINC000257272371 190023730 /nfs/dbraw/zinc/02/37/30/190023730.db2.gz NCDXFZFSNSDNOZ-CQSZACIVSA-N 1 2 287.367 2.460 40 0 CEABLO Cc1c[nH]c([C@@H]2CCC[N@H+]2Cc2c(C)nn(C)c2C)n1 ZINC000257292521 190027563 /nfs/dbraw/zinc/02/75/63/190027563.db2.gz QLXQPGSPWBFCAJ-AWEZNQCLSA-N 1 2 273.384 2.406 40 0 CEABLO Cc1c[nH]c([C@@H]2CCC[N@@H+]2Cc2c(C)nn(C)c2C)n1 ZINC000257292521 190027564 /nfs/dbraw/zinc/02/75/64/190027564.db2.gz QLXQPGSPWBFCAJ-AWEZNQCLSA-N 1 2 273.384 2.406 40 0 CEABLO CNc1cc([C@H]2CCCN(S(=O)(=O)C(C)C)C2)cc[nH+]1 ZINC000257321184 190033348 /nfs/dbraw/zinc/03/33/48/190033348.db2.gz WAMMAWRRDXWTHR-ZDUSSCGKSA-N 1 2 297.424 2.041 40 0 CEABLO C[C@]12CCCN(C(=O)c3ccccn3)[C@H]1CCCC[NH2+]2 ZINC000257325291 190033976 /nfs/dbraw/zinc/03/39/76/190033976.db2.gz WSHRRLDLNPTRQG-HOCLYGCPSA-N 1 2 273.380 2.218 40 0 CEABLO C[NH+](C)Cc1ccc(C(=O)N2CC[C@H](c3cc[nH]n3)C2)cc1 ZINC000257323524 190034240 /nfs/dbraw/zinc/03/42/40/190034240.db2.gz WKPCSOBJVLENAP-HNNXBMFYSA-N 1 2 298.390 2.101 40 0 CEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3cnc(C(C)C)nc3)C2)[nH+]1 ZINC000257341588 190037094 /nfs/dbraw/zinc/03/70/94/190037094.db2.gz ZKZBGNIVIGKUNI-GFCCVEGCSA-N 1 2 299.378 2.261 40 0 CEABLO Cc1cc(N2CCO[C@H](c3cc4cccnc4[nH]3)C2)nc[nH+]1 ZINC000072364125 134986467 /nfs/dbraw/zinc/98/64/67/134986467.db2.gz IULOPJDDWSAUNJ-AWEZNQCLSA-N 1 2 295.346 2.239 40 0 CEABLO CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CC[NH+](C)CC1 ZINC000022522713 171389911 /nfs/dbraw/zinc/38/99/11/171389911.db2.gz IAZPGSCFWROIQZ-OAHLLOKOSA-N 1 2 290.407 2.235 40 0 CEABLO COc1ccc(C[N@@H+]2CC[C@@H]2c2cc(N)nc(C)n2)cc1 ZINC000072387602 176392879 /nfs/dbraw/zinc/39/28/79/176392879.db2.gz IXHNPQXUNYMAKY-OAHLLOKOSA-N 1 2 284.363 2.323 40 0 CEABLO COc1ccc(C[N@H+]2CC[C@@H]2c2cc(N)nc(C)n2)cc1 ZINC000072387602 176392881 /nfs/dbraw/zinc/39/28/81/176392881.db2.gz IXHNPQXUNYMAKY-OAHLLOKOSA-N 1 2 284.363 2.323 40 0 CEABLO Cc1nc(N2CCC[C@H]2c2ccnc3nccn32)cc[nH+]1 ZINC000257218799 293631267 /nfs/dbraw/zinc/63/12/67/293631267.db2.gz DELDWULNJKRAFC-LBPRGKRZSA-N 1 2 280.335 2.169 40 0 CEABLO COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2[NH3+])cc1 ZINC000045484873 362160996 /nfs/dbraw/zinc/16/09/96/362160996.db2.gz CNJVYMBBVJJDME-GDBMZVCRSA-N 1 2 269.300 2.339 40 0 CEABLO Cc1nc(N2CCC[C@](O)(COc3ccccc3)C2)cc[nH+]1 ZINC000585275088 345010108 /nfs/dbraw/zinc/01/01/08/345010108.db2.gz WBCLKMVQJJYTTC-QGZVFWFLSA-N 1 2 299.374 2.195 40 0 CEABLO C[NH2+][C@@H]1NC(=O)c2ccccc2N1Cc1ccc(F)cc1 ZINC000057680548 362590906 /nfs/dbraw/zinc/59/09/06/362590906.db2.gz IBDIVVAMYPQHIJ-MRXNPFEDSA-N 1 2 285.322 2.079 40 0 in-vitro CEABLO CNc1cc(C)[nH+]c([C@@H]2CCCN(c3cc(C)ncn3)C2)n1 ZINC000072364146 363131524 /nfs/dbraw/zinc/13/15/24/363131524.db2.gz JEWMEOOWNFKUAO-CYBMUJFWSA-N 1 2 298.394 2.309 40 0 CEABLO CC(C)[C@H](C)NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000073522920 363226198 /nfs/dbraw/zinc/22/61/98/363226198.db2.gz VKBUHCIWKNOGSC-AWEZNQCLSA-N 1 2 290.407 2.293 40 0 CEABLO CNc1nc(NCc2ccccc2)cc(-c2cccnc2)[nH+]1 ZINC000328999205 202145641 /nfs/dbraw/zinc/14/56/41/202145641.db2.gz JUUMVVPINYPQJA-UHFFFAOYSA-N 1 2 291.358 2.036 40 0 CEABLO CC[C@@H](C)Nc1nc(NC(C)C)cc(-c2cccnc2)[nH+]1 ZINC000329032229 202159423 /nfs/dbraw/zinc/15/94/23/202159423.db2.gz QNFFPMBXSSQWKF-GFCCVEGCSA-N 1 2 285.395 2.413 40 0 CEABLO COC(=O)[C@]1([NH3+])CC12c1ccccc1-c1ccccc12 ZINC000256051747 540364343 /nfs/dbraw/zinc/36/43/43/540364343.db2.gz KKIDAERESLQLQR-QGZVFWFLSA-N 1 2 265.312 2.227 40 0 CEABLO COc1ccc2c(C)c(C(=O)N3CC[NH+](C)CC3)oc2c1 ZINC000002771182 361249476 /nfs/dbraw/zinc/24/94/76/361249476.db2.gz UANYYRRTUXKDLM-UHFFFAOYSA-N 1 2 288.347 2.137 40 0 CEABLO COc1cccc(C=O)c1OCCCn1cc[nH+]c1 ZINC000019094414 361520038 /nfs/dbraw/zinc/52/00/38/361520038.db2.gz FAHHLLDBPOFWAG-UHFFFAOYSA-N 1 2 260.293 2.173 40 0 CEABLO Cc1cc(C[N@@H+]2C[C@H](OCC3CC3)[C@H]3OCCC[C@H]32)no1 ZINC000096187070 364407530 /nfs/dbraw/zinc/40/75/30/364407530.db2.gz QLHMYIDQRSKUIO-PMPSAXMXSA-N 1 2 292.379 2.141 40 0 CEABLO Cc1cc(C[N@H+]2C[C@H](OCC3CC3)[C@H]3OCCC[C@H]32)no1 ZINC000096187070 364407533 /nfs/dbraw/zinc/40/75/33/364407533.db2.gz QLHMYIDQRSKUIO-PMPSAXMXSA-N 1 2 292.379 2.141 40 0 CEABLO Cc1nc([C@H]2COCC[N@@H+]2CC2CCOCC2)cs1 ZINC000096220674 364414030 /nfs/dbraw/zinc/41/40/30/364414030.db2.gz HSJTXGPGGXTCSX-CQSZACIVSA-N 1 2 282.409 2.251 40 0 CEABLO Cc1nc([C@H]2COCC[N@H+]2CC2CCOCC2)cs1 ZINC000096220674 364414037 /nfs/dbraw/zinc/41/40/37/364414037.db2.gz HSJTXGPGGXTCSX-CQSZACIVSA-N 1 2 282.409 2.251 40 0 CEABLO Oc1cccc(C[NH2+]Cc2ccn(C(F)F)n2)c1 ZINC000256050515 190003095 /nfs/dbraw/zinc/00/30/95/190003095.db2.gz FIFPLESCWKXTFH-UHFFFAOYSA-N 1 2 253.252 2.274 40 0 CEABLO CCn1ncc(C)c1C[NH2+]Cc1ccn(C(C)C)n1 ZINC000256051739 190003726 /nfs/dbraw/zinc/00/37/26/190003726.db2.gz KJTSEBDBKLKYPG-UHFFFAOYSA-N 1 2 261.373 2.279 40 0 CEABLO CCCn1cc(C[NH2+]Cc2ccn(CC(C)C)n2)cn1 ZINC000256053113 190004366 /nfs/dbraw/zinc/00/43/66/190004366.db2.gz QBULGVSPVYJCAR-UHFFFAOYSA-N 1 2 275.400 2.435 40 0 CEABLO Cc1cnc([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)s1 ZINC000257203302 190011373 /nfs/dbraw/zinc/01/13/73/190011373.db2.gz APLIIAWYKWWVBQ-GFCCVEGCSA-N 1 2 290.392 2.054 40 0 CEABLO Cc1cn(C)c([C@@H]2CC[N@H+](Cc3ccccc3C(=O)[O-])C2)[nH+]1 ZINC000257245163 190019087 /nfs/dbraw/zinc/01/90/87/190019087.db2.gz IOHLRCDQJTXUQC-CQSZACIVSA-N 1 2 299.374 2.416 40 0 CEABLO Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3ccccc3C(=O)[O-])C2)[nH+]1 ZINC000257245163 190019088 /nfs/dbraw/zinc/01/90/88/190019088.db2.gz IOHLRCDQJTXUQC-CQSZACIVSA-N 1 2 299.374 2.416 40 0 CEABLO CC(=O)N1CC[N@H+](Cc2cccnc2)C[C@H]1c1ccccc1 ZINC000257269635 190023651 /nfs/dbraw/zinc/02/36/51/190023651.db2.gz MQSXTIMYLBMRQI-SFHVURJKSA-N 1 2 295.386 2.487 40 0 CEABLO CC(=O)N1CC[N@@H+](Cc2cccnc2)C[C@H]1c1ccccc1 ZINC000257269635 190023652 /nfs/dbraw/zinc/02/36/52/190023652.db2.gz MQSXTIMYLBMRQI-SFHVURJKSA-N 1 2 295.386 2.487 40 0 CEABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cccn2C)[nH+]1 ZINC000257307235 190031194 /nfs/dbraw/zinc/03/11/94/190031194.db2.gz SXUDEWQNGGYHCJ-NSHDSACASA-N 1 2 258.325 2.034 40 0 CEABLO CC(C)n1nccc1C[N@@H+]1CC[C@@H](c2ccn[nH]2)C1 ZINC000257309925 190032228 /nfs/dbraw/zinc/03/22/28/190032228.db2.gz UCXWGLNYYFUCHC-GFCCVEGCSA-N 1 2 259.357 2.177 40 0 CEABLO CC(C)n1nccc1C[N@H+]1CC[C@@H](c2ccn[nH]2)C1 ZINC000257309925 190032229 /nfs/dbraw/zinc/03/22/29/190032229.db2.gz UCXWGLNYYFUCHC-GFCCVEGCSA-N 1 2 259.357 2.177 40 0 CEABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3cscn3)C2)[nH+]1 ZINC000257320123 190033265 /nfs/dbraw/zinc/03/32/65/190033265.db2.gz VVLOMXXFGWZONY-JTQLQIEISA-N 1 2 276.365 2.194 40 0 CEABLO O=C(CC1CC1)NC[C@H]1CCc2[nH+]cc(-c3cccnc3)n21 ZINC000306132506 376540613 /nfs/dbraw/zinc/54/06/13/376540613.db2.gz LKZFFRZBULHYBE-CQSZACIVSA-N 1 2 296.374 2.349 40 0 CEABLO CNc1nc(Nc2ccc(C(=O)OC)cc2)cc(C2CC2)[nH+]1 ZINC000329055383 394560420 /nfs/dbraw/zinc/56/04/20/394560420.db2.gz VNPIWJLSAMFHPK-UHFFFAOYSA-N 1 2 298.346 2.348 40 0 CEABLO Cc1nc(N2CC[NH+](C)CC2)ccc1C(=O)c1ccccc1 ZINC000072224645 394594239 /nfs/dbraw/zinc/59/42/39/394594239.db2.gz IQHQMTVYRKUCAX-UHFFFAOYSA-N 1 2 295.386 2.373 40 0 CEABLO COC[C@@H]1Cn2ccnc2C[N@H+](Cc2cccs2)C1 ZINC000096059063 394675829 /nfs/dbraw/zinc/67/58/29/394675829.db2.gz LHZUSQJCWBZUIO-LBPRGKRZSA-N 1 2 277.393 2.223 40 0 CEABLO COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2cccs2)C1 ZINC000096059063 394675833 /nfs/dbraw/zinc/67/58/33/394675833.db2.gz LHZUSQJCWBZUIO-LBPRGKRZSA-N 1 2 277.393 2.223 40 0 CEABLO CC(C)n1cnc2c1nc(Cl)nc2-n1cc[nH+]c1 ZINC000038580016 174148111 /nfs/dbraw/zinc/14/81/11/174148111.db2.gz XVJBLKPDJJLNMH-UHFFFAOYSA-N 1 2 262.704 2.246 40 0 CEABLO COc1ccccc1-c1cc([C@H]2COCC[NH2+]2)nc(C)n1 ZINC000072366302 176381186 /nfs/dbraw/zinc/38/11/86/176381186.db2.gz QMLYOXFUFAESKY-OAHLLOKOSA-N 1 2 285.347 2.122 40 0 CEABLO CNc1cc(N2Cc3ccccc3C[C@H]2C)nc[nH+]1 ZINC000328986999 277043419 /nfs/dbraw/zinc/04/34/19/277043419.db2.gz HZUIQQUAXDDVQA-LLVKDONJSA-N 1 2 254.337 2.470 40 0 CEABLO CNc1cc(N2Cc3ccccc3C[C@H]2C)[nH+]cn1 ZINC000328986999 277043420 /nfs/dbraw/zinc/04/34/20/277043420.db2.gz HZUIQQUAXDDVQA-LLVKDONJSA-N 1 2 254.337 2.470 40 0 CEABLO [NH3+][C@@H](c1nc(COc2ccccc2)n[nH]1)c1ccccc1 ZINC000095533381 185006658 /nfs/dbraw/zinc/00/66/58/185006658.db2.gz YZFGXBBBNWFYLF-OAHLLOKOSA-N 1 2 280.331 2.432 40 0 CEABLO CCCn1cc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cn1 ZINC000121227062 365537197 /nfs/dbraw/zinc/53/71/97/365537197.db2.gz IATGUWSQRPVGLW-AWEZNQCLSA-N 1 2 273.384 2.396 40 0 CEABLO CCCn1cc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cn1 ZINC000121227062 365537207 /nfs/dbraw/zinc/53/72/07/365537207.db2.gz IATGUWSQRPVGLW-AWEZNQCLSA-N 1 2 273.384 2.396 40 0 CEABLO COC[C@H]1C[N@H+](Cc2cccc(F)c2)Cc2ncn(C)c21 ZINC000096044777 185071784 /nfs/dbraw/zinc/07/17/84/185071784.db2.gz KGXUNPAOAKBEQZ-CYBMUJFWSA-N 1 2 289.354 2.305 40 0 CEABLO COC[C@H]1C[N@@H+](Cc2cccc(F)c2)Cc2ncn(C)c21 ZINC000096044777 185071785 /nfs/dbraw/zinc/07/17/85/185071785.db2.gz KGXUNPAOAKBEQZ-CYBMUJFWSA-N 1 2 289.354 2.305 40 0 CEABLO COC[C@H]1CN(Cc2cccc(F)c2)Cc2[nH+]cn(C)c21 ZINC000096044777 185071786 /nfs/dbraw/zinc/07/17/86/185071786.db2.gz KGXUNPAOAKBEQZ-CYBMUJFWSA-N 1 2 289.354 2.305 40 0 CEABLO COCc1cncc2c1CC[N@H+](Cc1ccccn1)C2 ZINC000096059260 185079052 /nfs/dbraw/zinc/07/90/52/185079052.db2.gz OIFGJJWSPMCVQG-UHFFFAOYSA-N 1 2 269.348 2.181 40 0 CEABLO COCc1cncc2c1CC[N@@H+](Cc1ccccn1)C2 ZINC000096059260 185079054 /nfs/dbraw/zinc/07/90/54/185079054.db2.gz OIFGJJWSPMCVQG-UHFFFAOYSA-N 1 2 269.348 2.181 40 0 CEABLO CCn1ncc2c1[C@H](COC)C[N@H+](Cc1ccoc1)C2 ZINC000096060135 185080038 /nfs/dbraw/zinc/08/00/38/185080038.db2.gz CITBZZFDOHBCCV-AWEZNQCLSA-N 1 2 275.352 2.242 40 0 CEABLO CCn1ncc2c1[C@H](COC)C[N@@H+](Cc1ccoc1)C2 ZINC000096060135 185080039 /nfs/dbraw/zinc/08/00/39/185080039.db2.gz CITBZZFDOHBCCV-AWEZNQCLSA-N 1 2 275.352 2.242 40 0 CEABLO CC(C)C(=O)N1C[C@@H]2C[N@H+](Cc3cccc(F)c3)[C@@H]2C1 ZINC000096090584 185095372 /nfs/dbraw/zinc/09/53/72/185095372.db2.gz YLFZEFXBYIFKLD-DZGCQCFKSA-N 1 2 276.355 2.124 40 0 CEABLO CC(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(F)c3)[C@@H]2C1 ZINC000096090584 185095374 /nfs/dbraw/zinc/09/53/74/185095374.db2.gz YLFZEFXBYIFKLD-DZGCQCFKSA-N 1 2 276.355 2.124 40 0 CEABLO Cc1cc(C)n(CC(=O)Nc2ccccc2-n2cc[nH+]c2)n1 ZINC000047109029 362199461 /nfs/dbraw/zinc/19/94/61/362199461.db2.gz XCGXXEKSROYWJU-UHFFFAOYSA-N 1 2 295.346 2.324 40 0 CEABLO CC(C)(C)OC(=O)C1CCN(c2c(N)c[nH+]cc2F)CC1 ZINC000145157717 344408759 /nfs/dbraw/zinc/40/87/59/344408759.db2.gz MOVLIJJQHSYTQS-UHFFFAOYSA-N 1 2 295.358 2.361 40 0 CEABLO Cc1nc(N2CC[C@H](Cc3ccccc3)[C@H](O)C2)cc[nH+]1 ZINC000585277121 345009808 /nfs/dbraw/zinc/00/98/08/345009808.db2.gz FVLHUDPVHLEAOX-HZPDHXFCSA-N 1 2 283.375 2.215 40 0 CEABLO Cc1cc(N2CCC(C)(c3ccnc(C)n3)CC2)nc[nH+]1 ZINC000072364093 363131774 /nfs/dbraw/zinc/13/17/74/363131774.db2.gz JTVSWTSSBNTDII-UHFFFAOYSA-N 1 2 283.379 2.442 40 0 CEABLO Fc1ccccc1C1=NO[C@H]2C[N@H+](Cc3cccnc3)C[C@H]12 ZINC000019347999 361528115 /nfs/dbraw/zinc/52/81/15/361528115.db2.gz YSIBZSRIWQELLF-HOCLYGCPSA-N 1 2 297.333 2.456 40 0 CEABLO Fc1ccccc1C1=NO[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]12 ZINC000019347999 361528121 /nfs/dbraw/zinc/52/81/21/361528121.db2.gz YSIBZSRIWQELLF-HOCLYGCPSA-N 1 2 297.333 2.456 40 0 CEABLO CC(C)CC[N@@H+]1Cc2[nH]nc(C(=O)N3CCCC3)c2C1 ZINC000096187521 364407437 /nfs/dbraw/zinc/40/74/37/364407437.db2.gz KXYQMNVIBRQXRI-UHFFFAOYSA-N 1 2 276.384 2.007 40 0 CEABLO CC(C)CC[N@H+]1Cc2[nH]nc(C(=O)N3CCCC3)c2C1 ZINC000096187521 364407439 /nfs/dbraw/zinc/40/74/39/364407439.db2.gz KXYQMNVIBRQXRI-UHFFFAOYSA-N 1 2 276.384 2.007 40 0 CEABLO CN1CCN(C(=O)Cc2ccsc2)Cc2ccc[nH+]c21 ZINC000096198799 364408310 /nfs/dbraw/zinc/40/83/10/364408310.db2.gz INKISESODJTPML-UHFFFAOYSA-N 1 2 287.388 2.164 40 0 CEABLO COCC[C@H]1Cn2cccc2C[N@H+](Cc2cc(C)on2)C1 ZINC000585095481 367177092 /nfs/dbraw/zinc/17/70/92/367177092.db2.gz SVQRSLRLKIPIBQ-CQSZACIVSA-N 1 2 289.379 2.453 40 0 CEABLO COCC[C@H]1Cn2cccc2C[N@@H+](Cc2cc(C)on2)C1 ZINC000585095481 367177096 /nfs/dbraw/zinc/17/70/96/367177096.db2.gz SVQRSLRLKIPIBQ-CQSZACIVSA-N 1 2 289.379 2.453 40 0 CEABLO c1cncc(C[NH+]2CC3(C2)OCC[C@H]3COCC2CC2)c1 ZINC000247886318 189942208 /nfs/dbraw/zinc/94/22/08/189942208.db2.gz RUWHFINXKODEKH-INIZCTEOSA-N 1 2 288.391 2.099 40 0 CEABLO CCCn1nccc1C[NH2+]Cc1ccn(CC(C)C)n1 ZINC000256050025 190002922 /nfs/dbraw/zinc/00/29/22/190002922.db2.gz CIWMGKZFRAPPSI-UHFFFAOYSA-N 1 2 275.400 2.435 40 0 CEABLO CCn1nc(C)c(C[NH2+]Cc2ccnn2C(F)F)c1F ZINC000256051748 190003443 /nfs/dbraw/zinc/00/34/43/190003443.db2.gz KKLLGYOFYYPUOJ-UHFFFAOYSA-N 1 2 287.289 2.232 40 0 CEABLO CCn1ccc(C[NH2+]Cc2cnn(C(C)C)c2C)n1 ZINC000256052818 190004549 /nfs/dbraw/zinc/00/45/49/190004549.db2.gz OUQCFKBDTKUROQ-UHFFFAOYSA-N 1 2 261.373 2.279 40 0 CEABLO CC(C)n1nccc1C[NH2+]Cc1ccn(C(F)F)n1 ZINC000256054588 190005652 /nfs/dbraw/zinc/00/56/52/190005652.db2.gz WXHDUJVSLILVLW-UHFFFAOYSA-N 1 2 269.299 2.345 40 0 CEABLO COc1ncccc1C(=O)N1CCC[C@@H]1c1[nH]cc(C)[nH+]1 ZINC000257199862 190010756 /nfs/dbraw/zinc/01/07/56/190010756.db2.gz ABBPRNMYBAUUDQ-GFCCVEGCSA-N 1 2 286.335 2.099 40 0 CEABLO CN(C)C(=O)c1cnc([C@@H]2CCCC[N@@H+]2C)s1 ZINC000257214279 190013475 /nfs/dbraw/zinc/01/34/75/190013475.db2.gz CLJPFNHWMWCVSE-VIFPVBQESA-N 1 2 253.371 2.002 40 0 CEABLO CN(C)C(=O)c1cnc([C@@H]2CCCC[N@H+]2C)s1 ZINC000257214279 190013476 /nfs/dbraw/zinc/01/34/76/190013476.db2.gz CLJPFNHWMWCVSE-VIFPVBQESA-N 1 2 253.371 2.002 40 0 CEABLO CC(C)n1cc[nH+]c1CN1CCO[C@H](c2ccccn2)C1 ZINC000257224598 190015573 /nfs/dbraw/zinc/01/55/73/190015573.db2.gz FCMRLSAQKYZEPG-HNNXBMFYSA-N 1 2 286.379 2.433 40 0 CEABLO COCC(=O)N1CCCC[C@H]1c1[nH+]c(C)n2ccsc12 ZINC000257242652 190018728 /nfs/dbraw/zinc/01/87/28/190018728.db2.gz IDMHBVLOEKMILR-NSHDSACASA-N 1 2 293.392 2.404 40 0 CEABLO CCc1nnsc1C(=O)N1CCC[C@H]1c1[nH]cc(C)[nH+]1 ZINC000257240120 190018759 /nfs/dbraw/zinc/01/87/59/190018759.db2.gz HSDKLPFROIASFO-JTQLQIEISA-N 1 2 291.380 2.109 40 0 CEABLO Cc1c[nH]c([C@H]2CCN(C(=O)Cc3ccccc3F)C2)[nH+]1 ZINC000257258953 190021634 /nfs/dbraw/zinc/02/16/34/190021634.db2.gz KWFAVZVIUJFEPV-ZDUSSCGKSA-N 1 2 287.338 2.416 40 0 CEABLO CCn1cc(C[N@@H+]2CCCC[C@H]2c2ccncn2)cn1 ZINC000257320883 190033637 /nfs/dbraw/zinc/03/36/37/190033637.db2.gz VZAJKEQJWLPGBJ-HNNXBMFYSA-N 1 2 271.368 2.420 40 0 CEABLO CCn1cc(C[N@H+]2CCCC[C@H]2c2ccncn2)cn1 ZINC000257320883 190033638 /nfs/dbraw/zinc/03/36/38/190033638.db2.gz VZAJKEQJWLPGBJ-HNNXBMFYSA-N 1 2 271.368 2.420 40 0 CEABLO C[NH+](C)Cc1cncc([C@H]2CCCN2Cc2cccnc2)n1 ZINC000257324882 190033973 /nfs/dbraw/zinc/03/39/73/190033973.db2.gz WQOZBODZJSWKHG-QGZVFWFLSA-N 1 2 297.406 2.270 40 0 CEABLO CNc1cncc([C@H]2CCC[N@@H+]2Cc2cncs2)n1 ZINC000257333364 190035431 /nfs/dbraw/zinc/03/54/31/190035431.db2.gz YBGNBTOYHSHLDG-GFCCVEGCSA-N 1 2 275.381 2.312 40 0 CEABLO CNc1cncc([C@H]2CCC[N@H+]2Cc2cncs2)n1 ZINC000257333364 190035432 /nfs/dbraw/zinc/03/54/32/190035432.db2.gz YBGNBTOYHSHLDG-GFCCVEGCSA-N 1 2 275.381 2.312 40 0 CEABLO Cc1ccccc1NC(=[NH2+])Nc1nc2c(c(=O)[nH]1)CCCC2 ZINC000009264445 170369472 /nfs/dbraw/zinc/36/94/72/170369472.db2.gz SPOUXILGYMTLJE-UHFFFAOYSA-N 1 2 297.362 2.416 40 0 CEABLO C[C@H](Cc1cccs1)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC000019457235 170803828 /nfs/dbraw/zinc/80/38/28/170803828.db2.gz GDVOSUXTPHTZJS-GHMZBOCLSA-N 1 2 263.366 2.253 40 0 CEABLO CCN(CC)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000038755784 174154741 /nfs/dbraw/zinc/15/47/41/174154741.db2.gz ZDFUMJXPFKXDNX-UHFFFAOYSA-N 1 2 276.380 2.001 40 0 CEABLO Nc1[nH]c(C(F)(F)F)c([C@H](O)c2ccccc2)[nH+]1 ZINC000044137475 175146194 /nfs/dbraw/zinc/14/61/94/175146194.db2.gz LGCQCLRAGWBHIP-MRVPVSSYSA-N 1 2 257.215 2.092 40 0 CEABLO Cc1nc(Nc2nncs2)cc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072360120 176377157 /nfs/dbraw/zinc/37/71/57/176377157.db2.gz SEQJDUANRVKUFQ-JTQLQIEISA-N 1 2 290.396 2.189 40 0 CEABLO Cc1nc(Nc2nncs2)cc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072360120 176377158 /nfs/dbraw/zinc/37/71/58/176377158.db2.gz SEQJDUANRVKUFQ-JTQLQIEISA-N 1 2 290.396 2.189 40 0 CEABLO CC(C)[NH+](CC(=O)NC(=O)c1ccccc1)C(C)C ZINC000001713440 277561424 /nfs/dbraw/zinc/56/14/24/277561424.db2.gz OMCKSNUONUTFNB-UHFFFAOYSA-N 1 2 262.353 2.062 40 0 CEABLO CCc1ccc(C(=O)N2CCOC[C@H]2c2[nH]cc(C)[nH+]2)cc1 ZINC000257236395 288532351 /nfs/dbraw/zinc/53/23/51/288532351.db2.gz HBYYIAYSTFFNBO-HNNXBMFYSA-N 1 2 299.374 2.494 40 0 CEABLO O=C(C[N@H+]1CCC[C@@H](O)C1)c1ccc(Br)cc1 ZINC000049136708 526750123 /nfs/dbraw/zinc/75/01/23/526750123.db2.gz GBKVOGBVXQGVPD-GFCCVEGCSA-N 1 2 298.180 2.089 40 0 CEABLO O=C(C[N@@H+]1CCC[C@@H](O)C1)c1ccc(Br)cc1 ZINC000049136708 526750127 /nfs/dbraw/zinc/75/01/27/526750127.db2.gz GBKVOGBVXQGVPD-GFCCVEGCSA-N 1 2 298.180 2.089 40 0 CEABLO CCOC[C@@H]1C[N@H+](Cc2ccco2)Cc2cn(C)nc21 ZINC000096059824 185080452 /nfs/dbraw/zinc/08/04/52/185080452.db2.gz LNMOOXIZAIJHMT-ZDUSSCGKSA-N 1 2 275.352 2.149 40 0 CEABLO CCOC[C@@H]1C[N@@H+](Cc2ccco2)Cc2cn(C)nc21 ZINC000096059824 185080454 /nfs/dbraw/zinc/08/04/54/185080454.db2.gz LNMOOXIZAIJHMT-ZDUSSCGKSA-N 1 2 275.352 2.149 40 0 CEABLO CC1CC[NH+](CC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000000137157 361134121 /nfs/dbraw/zinc/13/41/21/361134121.db2.gz UVHYYLXFNRBLOT-UHFFFAOYSA-N 1 2 275.348 2.372 40 0 CEABLO CCOC(=O)CC[C@@H]1C[N@H+](Cc2ccccc2)CCC1=O ZINC000087489345 363857593 /nfs/dbraw/zinc/85/75/93/363857593.db2.gz WYOSZIUQEVKRJH-OAHLLOKOSA-N 1 2 289.375 2.421 40 0 CEABLO CCOC(=O)CC[C@@H]1C[N@@H+](Cc2ccccc2)CCC1=O ZINC000087489345 363857601 /nfs/dbraw/zinc/85/76/01/363857601.db2.gz WYOSZIUQEVKRJH-OAHLLOKOSA-N 1 2 289.375 2.421 40 0 CEABLO C[N@H+](CC(=O)OC(C)(C)C)Cc1cccc(N)c1 ZINC000088462865 363898591 /nfs/dbraw/zinc/89/85/91/363898591.db2.gz IPYQVOVEOOYQKA-UHFFFAOYSA-N 1 2 250.342 2.042 40 0 CEABLO C[N@@H+](CC(=O)OC(C)(C)C)Cc1cccc(N)c1 ZINC000088462865 363898596 /nfs/dbraw/zinc/89/85/96/363898596.db2.gz IPYQVOVEOOYQKA-UHFFFAOYSA-N 1 2 250.342 2.042 40 0 CEABLO COC[C@@H]1Cn2ccnc2C[N@H+](Cc2ccsc2)C1 ZINC000096187740 364406736 /nfs/dbraw/zinc/40/67/36/364406736.db2.gz IDZWTLYBHXPJGB-ZDUSSCGKSA-N 1 2 277.393 2.223 40 0 CEABLO COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2ccsc2)C1 ZINC000096187740 364406739 /nfs/dbraw/zinc/40/67/39/364406739.db2.gz IDZWTLYBHXPJGB-ZDUSSCGKSA-N 1 2 277.393 2.223 40 0 CEABLO c1cc2n(n1)[C@H](COc1ccccn1)C[N@@H+](C1CCC1)C2 ZINC000253595743 371530026 /nfs/dbraw/zinc/53/00/26/371530026.db2.gz IATRXHOWJUEBIE-HNNXBMFYSA-N 1 2 284.363 2.266 40 0 CEABLO c1cc2n(n1)[C@H](COc1ccccn1)C[N@H+](C1CCC1)C2 ZINC000253595743 371530028 /nfs/dbraw/zinc/53/00/28/371530028.db2.gz IATRXHOWJUEBIE-HNNXBMFYSA-N 1 2 284.363 2.266 40 0 CEABLO CCc1ccc(C(=O)N2CCOC[C@@H]2c2[nH]cc(C)[nH+]2)cc1 ZINC000257236396 371609812 /nfs/dbraw/zinc/60/98/12/371609812.db2.gz HBYYIAYSTFFNBO-OAHLLOKOSA-N 1 2 299.374 2.494 40 0 CEABLO Cc1cc(N2CCO[C@H](Cc3cccc(F)c3)C2)nc[nH+]1 ZINC000257323371 371613882 /nfs/dbraw/zinc/61/38/82/371613882.db2.gz WJWYZALNGTYEHB-OAHLLOKOSA-N 1 2 287.338 2.372 40 0 CEABLO O=C(c1cc[nH]n1)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257202500 190010643 /nfs/dbraw/zinc/01/06/43/190010643.db2.gz AMDLFZZCGSCZGF-AWEZNQCLSA-N 1 2 293.330 2.004 40 0 CEABLO CC(=O)N1CCC[C@H](c2cccc3[nH+]c(C)cn32)C1 ZINC000257215558 190012866 /nfs/dbraw/zinc/01/28/66/190012866.db2.gz CQRHQZLHUKCJNB-ZDUSSCGKSA-N 1 2 257.337 2.369 40 0 CEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3cccs3)C2)[nH+]1 ZINC000257248157 190019911 /nfs/dbraw/zinc/01/99/11/190019911.db2.gz JCJMVPKEKPSDCZ-SNVBAGLBSA-N 1 2 261.350 2.409 40 0 CEABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3cccs3)C2)[nH+]1 ZINC000257248156 190020333 /nfs/dbraw/zinc/02/03/33/190020333.db2.gz JCJMVPKEKPSDCZ-JTQLQIEISA-N 1 2 261.350 2.409 40 0 CEABLO CNc1cc([C@H]2CCCN2C(=O)c2cccc(=O)[nH]2)cc[nH+]1 ZINC000257321212 190033375 /nfs/dbraw/zinc/03/33/75/190033375.db2.gz WAPNFGOHFIQRJS-CYBMUJFWSA-N 1 2 298.346 2.201 40 0 CEABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2cscn2)[nH+]1 ZINC000257329231 190034587 /nfs/dbraw/zinc/03/45/87/190034587.db2.gz XJAGZMADCVLOOW-SNVBAGLBSA-N 1 2 262.338 2.152 40 0 CEABLO CCOC[C@@H]1CN(C(=O)C2=CCCCC2)Cc2c[nH+]cn21 ZINC000306132034 376541644 /nfs/dbraw/zinc/54/16/44/376541644.db2.gz KWAGQVDERRNTMP-HNNXBMFYSA-N 1 2 289.379 2.303 40 0 CEABLO Cc1cc([C@@H](O)c2ccccc2)c[nH+]c1N1CCOCC1 ZINC000072222512 394594273 /nfs/dbraw/zinc/59/42/73/394594273.db2.gz HVOJPWNXCDNEIM-INIZCTEOSA-N 1 2 284.359 2.308 40 0 CEABLO Cc1[nH+]c(N2CCOCC2)ccc1C(=O)c1ccccc1 ZINC000072224594 394594357 /nfs/dbraw/zinc/59/43/57/394594357.db2.gz WDSJILGLCHTRNG-UHFFFAOYSA-N 1 2 282.343 2.458 40 0 CEABLO Cc1cc[nH+]c(N(C(=O)OC(C)(C)C)N2CCOCC2)c1 ZINC000199720383 395470344 /nfs/dbraw/zinc/47/03/44/395470344.db2.gz XWJWRNKYLWAKFG-UHFFFAOYSA-N 1 2 293.367 2.379 40 0 CEABLO CCCC[C@@H](CC)COC(=O)CCOCC[NH+]1CC1 ZINC000005553662 170112357 /nfs/dbraw/zinc/11/23/57/170112357.db2.gz SMUOYPZXHUJMAK-CQSZACIVSA-N 1 2 271.401 2.468 40 0 CEABLO Cc1cccc(C2(O)CC[NH+](Cc3ncc[nH]3)CC2)c1 ZINC000072344683 176373289 /nfs/dbraw/zinc/37/32/89/176373289.db2.gz INPMQGFAOVVLIM-UHFFFAOYSA-N 1 2 271.364 2.202 40 0 CEABLO c1csc(Nc2nccc([C@H]3CCCC[NH2+]3)n2)n1 ZINC000072376742 176385270 /nfs/dbraw/zinc/38/52/70/176385270.db2.gz UDGJIIRALLKKNV-SECBINFHSA-N 1 2 261.354 2.491 40 0 CEABLO COc1ncc(C[N@@H+]2CCCC[C@H]2c2ccnc(C)n2)cn1 ZINC000072386218 176391393 /nfs/dbraw/zinc/39/13/93/176391393.db2.gz FNXAXSRNNRKZJD-HNNXBMFYSA-N 1 2 299.378 2.311 40 0 CEABLO COc1ncc(C[N@H+]2CCCC[C@H]2c2ccnc(C)n2)cn1 ZINC000072386218 176391394 /nfs/dbraw/zinc/39/13/94/176391394.db2.gz FNXAXSRNNRKZJD-HNNXBMFYSA-N 1 2 299.378 2.311 40 0 CEABLO COC[C@H]1Cn2ccnc2C[N@H+](Cc2ccc(F)cc2)C1 ZINC000096059074 277268134 /nfs/dbraw/zinc/26/81/34/277268134.db2.gz DPQINHMCFUREST-CQSZACIVSA-N 1 2 289.354 2.301 40 0 CEABLO COC[C@H]1Cn2ccnc2C[N@@H+](Cc2ccc(F)cc2)C1 ZINC000096059074 277268135 /nfs/dbraw/zinc/26/81/35/277268135.db2.gz DPQINHMCFUREST-CQSZACIVSA-N 1 2 289.354 2.301 40 0 CEABLO CNc1ncccc1C[N@@H+]1CCC[C@@H]1c1n[nH]cc1C ZINC000072364461 277305905 /nfs/dbraw/zinc/30/59/05/277305905.db2.gz MIHMXLHDFFVHLT-CYBMUJFWSA-N 1 2 271.368 2.492 40 0 CEABLO CNc1ncccc1C[N@H+]1CCC[C@@H]1c1n[nH]cc1C ZINC000072364461 277305906 /nfs/dbraw/zinc/30/59/06/277305906.db2.gz MIHMXLHDFFVHLT-CYBMUJFWSA-N 1 2 271.368 2.492 40 0 CEABLO CNc1ncccc1C[N@@H+]1CCC[C@@H]1c1[nH]ncc1C ZINC000072364461 277305907 /nfs/dbraw/zinc/30/59/07/277305907.db2.gz MIHMXLHDFFVHLT-CYBMUJFWSA-N 1 2 271.368 2.492 40 0 CEABLO CNc1ncccc1C[N@H+]1CCC[C@@H]1c1[nH]ncc1C ZINC000072364461 277305908 /nfs/dbraw/zinc/30/59/08/277305908.db2.gz MIHMXLHDFFVHLT-CYBMUJFWSA-N 1 2 271.368 2.492 40 0 CEABLO O=C(C[N@H+]1CCC[C@H](O)C1)c1ccc(Br)cc1 ZINC000049136705 526756487 /nfs/dbraw/zinc/75/64/87/526756487.db2.gz GBKVOGBVXQGVPD-LBPRGKRZSA-N 1 2 298.180 2.089 40 0 CEABLO O=C(C[N@@H+]1CCC[C@H](O)C1)c1ccc(Br)cc1 ZINC000049136705 526756491 /nfs/dbraw/zinc/75/64/91/526756491.db2.gz GBKVOGBVXQGVPD-LBPRGKRZSA-N 1 2 298.180 2.089 40 0 CEABLO CC(C)(C)OC(=O)N1CCC[C@H](Oc2cc(N)cc[nH+]2)C1 ZINC000328579418 566897155 /nfs/dbraw/zinc/89/71/55/566897155.db2.gz HBLRRXXOISCDCY-LBPRGKRZSA-N 1 2 293.367 2.442 40 0 CEABLO CCn1cc2c(n1)[C@H](COC)C[N@@H+](Cc1ccccn1)C2 ZINC000096059888 185080247 /nfs/dbraw/zinc/08/02/47/185080247.db2.gz LOZHHLRWIVRYCZ-AWEZNQCLSA-N 1 2 286.379 2.044 40 0 CEABLO CCn1cc2c(n1)[C@H](COC)C[N@H+](Cc1ccccn1)C2 ZINC000096059888 185080248 /nfs/dbraw/zinc/08/02/48/185080248.db2.gz LOZHHLRWIVRYCZ-AWEZNQCLSA-N 1 2 286.379 2.044 40 0 CEABLO CCOc1ccccc1Nc1cc(N)[nH+]c(CCOC)n1 ZINC000049467771 362364034 /nfs/dbraw/zinc/36/40/34/362364034.db2.gz QXTMLIBRAMCCRL-UHFFFAOYSA-N 1 2 288.351 2.390 40 0 CEABLO Cc1cc(N2CCC[C@@H](Cc3cnccn3)C2)nc[nH+]1 ZINC000072385581 363133191 /nfs/dbraw/zinc/13/31/91/363133191.db2.gz HVRVZVOEODGCQG-ZDUSSCGKSA-N 1 2 269.352 2.034 40 0 CEABLO O=C(C[NH+]1Cc2ccccc2C1)NC1CCCCC1 ZINC000155452800 366818452 /nfs/dbraw/zinc/81/84/52/366818452.db2.gz OEZDAPPHSHEKJM-UHFFFAOYSA-N 1 2 258.365 2.451 40 0 CEABLO Cc1nc(C)n(CCC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)n1 ZINC000019576751 361543629 /nfs/dbraw/zinc/54/36/29/361543629.db2.gz QLOGFJVFVADMOT-UHFFFAOYSA-N 1 2 298.350 2.108 40 0 CEABLO CC[C@@H](C)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000019933024 361568328 /nfs/dbraw/zinc/56/83/28/361568328.db2.gz MFDHCSVLSQJJGL-CYBMUJFWSA-N 1 2 276.380 2.047 40 0 CEABLO CCn1nnc2c1CC[N@H+](C)[C@@H]2COCc1ccccc1 ZINC000096198498 364408885 /nfs/dbraw/zinc/40/88/85/364408885.db2.gz MGLBKNYPOCNUTE-OAHLLOKOSA-N 1 2 286.379 2.044 40 0 CEABLO CCn1nnc2c1CC[N@@H+](C)[C@@H]2COCc1ccccc1 ZINC000096198498 364408888 /nfs/dbraw/zinc/40/88/88/364408888.db2.gz MGLBKNYPOCNUTE-OAHLLOKOSA-N 1 2 286.379 2.044 40 0 CEABLO CC(C)C(=O)N1CC[C@@]12CCC[N@H+](Cc1nccs1)C2 ZINC000096239464 364416698 /nfs/dbraw/zinc/41/66/98/364416698.db2.gz KFCXOLFZNFOICR-OAHLLOKOSA-N 1 2 293.436 2.366 40 0 CEABLO CC(C)C(=O)N1CC[C@@]12CCC[N@@H+](Cc1nccs1)C2 ZINC000096239464 364416704 /nfs/dbraw/zinc/41/67/04/364416704.db2.gz KFCXOLFZNFOICR-OAHLLOKOSA-N 1 2 293.436 2.366 40 0 CEABLO CC(C)(C)OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000228962640 370416575 /nfs/dbraw/zinc/41/65/75/370416575.db2.gz UAFOCJAGVNLEDU-CQSZACIVSA-N 1 2 277.364 2.229 40 0 CEABLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000228962640 370416579 /nfs/dbraw/zinc/41/65/79/370416579.db2.gz UAFOCJAGVNLEDU-CQSZACIVSA-N 1 2 277.364 2.229 40 0 CEABLO c1cn2ccc([C@@H]3CCCC[N@H+]3Cc3cc[nH]n3)nc2n1 ZINC000257313035 371613479 /nfs/dbraw/zinc/61/34/79/371613479.db2.gz UQSZYHWJCKCGDJ-AWEZNQCLSA-N 1 2 282.351 2.180 40 0 CEABLO c1cn2ccc([C@@H]3CCCC[N@@H+]3Cc3cc[nH]n3)nc2n1 ZINC000257313035 371613483 /nfs/dbraw/zinc/61/34/83/371613483.db2.gz UQSZYHWJCKCGDJ-AWEZNQCLSA-N 1 2 282.351 2.180 40 0 CEABLO CNc1nccnc1C[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000257339542 371613619 /nfs/dbraw/zinc/61/36/19/371613619.db2.gz ZCEJDJPUTIISBY-ZDUSSCGKSA-N 1 2 298.394 2.076 40 0 CEABLO CCn1ncc(C)c1C[NH2+]Cc1ccn(CC(C)C)n1 ZINC000256051103 190003642 /nfs/dbraw/zinc/00/36/42/190003642.db2.gz HSDRBAHUVXNZGP-UHFFFAOYSA-N 1 2 275.400 2.354 40 0 CEABLO O=C(c1cc[nH]n1)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257202501 190010856 /nfs/dbraw/zinc/01/08/56/190010856.db2.gz AMDLFZZCGSCZGF-CQSZACIVSA-N 1 2 293.330 2.004 40 0 CEABLO CNc1ncccc1C[N@@H+]1CCC[C@@H](Cc2ccn[nH]2)C1 ZINC000257216165 190013729 /nfs/dbraw/zinc/01/37/29/190013729.db2.gz CTKRMWAWFLTGDQ-ZDUSSCGKSA-N 1 2 285.395 2.301 40 0 CEABLO CNc1ncccc1C[N@H+]1CCC[C@@H](Cc2ccn[nH]2)C1 ZINC000257216165 190013730 /nfs/dbraw/zinc/01/37/30/190013730.db2.gz CTKRMWAWFLTGDQ-ZDUSSCGKSA-N 1 2 285.395 2.301 40 0 CEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)Cc3csc(C)n3)C2)[nH+]1 ZINC000257259160 190021651 /nfs/dbraw/zinc/02/16/51/190021651.db2.gz KXCZPPHXZWOIMR-LLVKDONJSA-N 1 2 290.392 2.042 40 0 CEABLO CCCn1cc[nH+]c1CN1CCO[C@@H](c2ccccn2)C1 ZINC000257260298 190022219 /nfs/dbraw/zinc/02/22/19/190022219.db2.gz LCFLPOAHHLFMHY-OAHLLOKOSA-N 1 2 286.379 2.262 40 0 CEABLO Cc1cc(=O)[nH]c([C@@]2(C)CCC[N@@H+]2Cc2ccncc2)n1 ZINC000257296637 190028793 /nfs/dbraw/zinc/02/87/93/190028793.db2.gz RDRIHCUSFNKHNG-MRXNPFEDSA-N 1 2 284.363 2.397 40 0 CEABLO Cc1cc(=O)[nH]c([C@@]2(C)CCC[N@H+]2Cc2ccncc2)n1 ZINC000257296637 190028794 /nfs/dbraw/zinc/02/87/94/190028794.db2.gz RDRIHCUSFNKHNG-MRXNPFEDSA-N 1 2 284.363 2.397 40 0 CEABLO CN(C)c1cncc([C@@H]2CCC[N@@H+]2Cc2nccs2)n1 ZINC000257308592 190031178 /nfs/dbraw/zinc/03/11/78/190031178.db2.gz TXHPRACESGAUPX-LBPRGKRZSA-N 1 2 289.408 2.336 40 0 CEABLO CN(C)c1cncc([C@@H]2CCC[N@H+]2Cc2nccs2)n1 ZINC000257308592 190031179 /nfs/dbraw/zinc/03/11/79/190031179.db2.gz TXHPRACESGAUPX-LBPRGKRZSA-N 1 2 289.408 2.336 40 0 CEABLO Cn1nccc1-c1ccc(C[C@H]2CCC[NH2+]C2)cn1 ZINC000257325366 190034056 /nfs/dbraw/zinc/03/40/56/190034056.db2.gz WSQZJHMNSUIAGY-GFCCVEGCSA-N 1 2 256.353 2.024 40 0 CEABLO c1[nH]c([C@@H]2COCC[N@H+]2CC2CC2)nc1-c1ccncc1 ZINC000072322064 176369235 /nfs/dbraw/zinc/36/92/35/176369235.db2.gz YLJONGPTRLAQAD-HNNXBMFYSA-N 1 2 284.363 2.255 40 0 biogenic,in-vitro CEABLO c1[nH]c([C@@H]2COCC[N@@H+]2CC2CC2)nc1-c1ccncc1 ZINC000072322064 176369237 /nfs/dbraw/zinc/36/92/37/176369237.db2.gz YLJONGPTRLAQAD-HNNXBMFYSA-N 1 2 284.363 2.255 40 0 biogenic,in-vitro CEABLO COC[C@H]1C[N@H+](Cc2ccsc2)Cc2nn(C)cc21 ZINC000096060352 277267623 /nfs/dbraw/zinc/26/76/23/277267623.db2.gz OXJJKVRSNNNGNP-GFCCVEGCSA-N 1 2 277.393 2.227 40 0 CEABLO COC[C@H]1C[N@@H+](Cc2ccsc2)Cc2nn(C)cc21 ZINC000096060352 277267624 /nfs/dbraw/zinc/26/76/24/277267624.db2.gz OXJJKVRSNNNGNP-GFCCVEGCSA-N 1 2 277.393 2.227 40 0 CEABLO [NH3+][C@H](c1nc([C@H]2CCCO2)n[nH]1)c1ccc(Cl)cc1 ZINC000095534022 185007378 /nfs/dbraw/zinc/00/73/78/185007378.db2.gz UCZQDFONDINEBA-MNOVXSKESA-N 1 2 278.743 2.358 40 0 CEABLO COC[C@@H]1C[N@H+](Cc2cccc(F)c2)Cc2ncn(C)c21 ZINC000096044776 185071182 /nfs/dbraw/zinc/07/11/82/185071182.db2.gz KGXUNPAOAKBEQZ-ZDUSSCGKSA-N 1 2 289.354 2.305 40 0 CEABLO COC[C@@H]1C[N@@H+](Cc2cccc(F)c2)Cc2ncn(C)c21 ZINC000096044776 185071183 /nfs/dbraw/zinc/07/11/83/185071183.db2.gz KGXUNPAOAKBEQZ-ZDUSSCGKSA-N 1 2 289.354 2.305 40 0 CEABLO COC[C@@H]1CN(Cc2cccc(F)c2)Cc2[nH+]cn(C)c21 ZINC000096044776 185071185 /nfs/dbraw/zinc/07/11/85/185071185.db2.gz KGXUNPAOAKBEQZ-ZDUSSCGKSA-N 1 2 289.354 2.305 40 0 CEABLO CCOC[C@@H]1C[N@H+](Cc2ccco2)Cc2c1cnn2C ZINC000096044594 185071217 /nfs/dbraw/zinc/07/12/17/185071217.db2.gz CULNAKXUYUSKKG-LBPRGKRZSA-N 1 2 275.352 2.149 40 0 CEABLO CCOC[C@@H]1C[N@@H+](Cc2ccco2)Cc2c1cnn2C ZINC000096044594 185071219 /nfs/dbraw/zinc/07/12/19/185071219.db2.gz CULNAKXUYUSKKG-LBPRGKRZSA-N 1 2 275.352 2.149 40 0 CEABLO COCc1cncc2c1CC[N@H+](Cc1cccnc1OC)C2 ZINC000096067344 185085174 /nfs/dbraw/zinc/08/51/74/185085174.db2.gz LQADSJFQABROEH-UHFFFAOYSA-N 1 2 299.374 2.190 40 0 CEABLO COCc1cncc2c1CC[N@@H+](Cc1cccnc1OC)C2 ZINC000096067344 185085176 /nfs/dbraw/zinc/08/51/76/185085176.db2.gz LQADSJFQABROEH-UHFFFAOYSA-N 1 2 299.374 2.190 40 0 CEABLO CCn1c2ccccc2[nH+]c1N1CCC[C@@H](CO)C1 ZINC000043220229 362140102 /nfs/dbraw/zinc/14/01/02/362140102.db2.gz WMLWTORZYORCTM-GFCCVEGCSA-N 1 2 259.353 2.265 40 0 CEABLO Cc1cc(C)cc(CSCC(=O)N2CC[NH+](C)CC2)c1 ZINC000008335576 343362208 /nfs/dbraw/zinc/36/22/08/343362208.db2.gz FEAOFLNLYDHCBO-UHFFFAOYSA-N 1 2 292.448 2.311 40 0 CEABLO C[C@H](CO)Nc1cc(N2Cc3ccccc3C[C@@H]2C)nc[nH+]1 ZINC000329017979 136377562 /nfs/dbraw/zinc/37/75/62/136377562.db2.gz NOLGDTYLDCUORG-OLZOCXBDSA-N 1 2 298.390 2.221 40 0 CEABLO C[C@H](CO)Nc1cc(N2Cc3ccccc3C[C@@H]2C)[nH+]cn1 ZINC000329017979 136377563 /nfs/dbraw/zinc/37/75/63/136377563.db2.gz NOLGDTYLDCUORG-OLZOCXBDSA-N 1 2 298.390 2.221 40 0 CEABLO CCOC(=O)c1ccc(Nc2cc(N)nc(C)[nH+]2)cc1 ZINC000049467310 362364288 /nfs/dbraw/zinc/36/42/88/362364288.db2.gz SFPJDVHJZJQEQU-UHFFFAOYSA-N 1 2 272.308 2.288 40 0 CEABLO Cc1cc(N2CCC[C@H](Cc3cnccn3)C2)nc[nH+]1 ZINC000072385580 363132570 /nfs/dbraw/zinc/13/25/70/363132570.db2.gz HVRVZVOEODGCQG-CYBMUJFWSA-N 1 2 269.352 2.034 40 0 CEABLO CC[C@H](C)Nc1nc(NC(C)C)cc(-c2ccncc2)[nH+]1 ZINC000328975908 202136878 /nfs/dbraw/zinc/13/68/78/202136878.db2.gz FMAPQDWFZUCYPL-LBPRGKRZSA-N 1 2 285.395 2.413 40 0 CEABLO CC(C)(C)OC(=O)N1C[C@H]2CN(c3cccc[nH+]3)C[C@H]2C1 ZINC000145762000 366572738 /nfs/dbraw/zinc/57/27/38/366572738.db2.gz NXSHFQFSZKOPQC-BETUJISGSA-N 1 2 289.379 2.385 40 0 CEABLO CCOc1ccc(C(=O)[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000022871905 361590110 /nfs/dbraw/zinc/59/01/10/361590110.db2.gz BVFITKDNSDTIBL-CQSZACIVSA-N 1 2 290.407 2.152 40 0 CEABLO COC(=O)[C@]1([NH3+])C[C@H]1c1cccc(Cl)c1Cl ZINC000216591775 370190421 /nfs/dbraw/zinc/19/04/21/370190421.db2.gz ULRGXNRLAKXGDA-CPCISQLKSA-N 1 2 260.120 2.351 40 0 CEABLO O=C(Cc1ccc(Cl)cc1F)NCCCn1cc[nH+]c1 ZINC000223333964 370266206 /nfs/dbraw/zinc/26/62/06/370266206.db2.gz BFEONXWVERTWMM-UHFFFAOYSA-N 1 2 295.745 2.425 40 0 CEABLO CCCS(=O)(=O)N1CCC[C@H]1c1cc[nH+]c(NC)c1 ZINC000257211983 190012421 /nfs/dbraw/zinc/01/24/21/190012421.db2.gz CBKMLHROXPTLAV-LBPRGKRZSA-N 1 2 283.397 2.000 40 0 CEABLO Fc1ccc(OCC[N@@H+]2CC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000257215228 190013000 /nfs/dbraw/zinc/01/30/00/190013000.db2.gz CPFBIBJORCNXFG-GFCCVEGCSA-N 1 2 275.327 2.417 40 0 CEABLO Fc1ccc(OCC[N@H+]2CC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000257215228 190013001 /nfs/dbraw/zinc/01/30/01/190013001.db2.gz CPFBIBJORCNXFG-GFCCVEGCSA-N 1 2 275.327 2.417 40 0 CEABLO Cc1nc(Nc2nncs2)cc([C@@H]2CCCC[NH2+]2)n1 ZINC000257241304 190018388 /nfs/dbraw/zinc/01/83/88/190018388.db2.gz HXOHLSLHHMPEPD-VIFPVBQESA-N 1 2 276.369 2.195 40 0 CEABLO Cc1cc(N2CC[C@H](Cc3ccccn3)C2)nc[nH+]1 ZINC000257280554 190025580 /nfs/dbraw/zinc/02/55/80/190025580.db2.gz OLIYDZMDVQDPCD-CYBMUJFWSA-N 1 2 254.337 2.249 40 0 CEABLO O=c1cc(C2CC[NH+](CC3CC3)CC2)nc2cc[nH]n21 ZINC000257283028 190025948 /nfs/dbraw/zinc/02/59/48/190025948.db2.gz OWLKALBNUWAWMJ-UHFFFAOYSA-N 1 2 272.352 2.024 40 0 CEABLO COc1ccc([C@@H]2CN(C(=O)CC3CC3)CC[N@@H+]2C)cc1 ZINC000257313049 190031678 /nfs/dbraw/zinc/03/16/78/190031678.db2.gz UQUCGFAVLBIBHA-INIZCTEOSA-N 1 2 288.391 2.310 40 0 CEABLO COc1ccc([C@@H]2CN(C(=O)CC3CC3)CC[N@H+]2C)cc1 ZINC000257313049 190031679 /nfs/dbraw/zinc/03/16/79/190031679.db2.gz UQUCGFAVLBIBHA-INIZCTEOSA-N 1 2 288.391 2.310 40 0 CEABLO CN(C)c1cc([C@H]2CCC[N@@H+]2Cc2nccn2C)ccn1 ZINC000257326698 190034910 /nfs/dbraw/zinc/03/49/10/190034910.db2.gz WYFOIYBAHLVSKX-CQSZACIVSA-N 1 2 285.395 2.218 40 0 CEABLO CN(C)c1cc([C@H]2CCC[N@H+]2Cc2nccn2C)ccn1 ZINC000257326698 190034911 /nfs/dbraw/zinc/03/49/11/190034911.db2.gz WYFOIYBAHLVSKX-CQSZACIVSA-N 1 2 285.395 2.218 40 0 CEABLO Cc1c[nH]c([C@@H]2COCCN2Cc2scnc2C)[nH+]1 ZINC000257336094 190036141 /nfs/dbraw/zinc/03/61/41/190036141.db2.gz YNCPXKACWKCGGK-NSHDSACASA-N 1 2 278.381 2.057 40 0 CEABLO Cc1cc(N)c(N2CC[NH+](C)CC2)c(Br)c1 ZINC000045886080 291929055 /nfs/dbraw/zinc/92/90/55/291929055.db2.gz MPROVBLAKNEVMT-UHFFFAOYSA-N 1 2 284.201 2.092 40 0 CEABLO CCn1ncc2c1[C@H](COC)C[N@H+](Cc1ccccn1)C2 ZINC000096060151 394675974 /nfs/dbraw/zinc/67/59/74/394675974.db2.gz GBKJNVZBWWREQH-AWEZNQCLSA-N 1 2 286.379 2.044 40 0 CEABLO CCn1ncc2c1[C@H](COC)C[N@@H+](Cc1ccccn1)C2 ZINC000096060151 394675979 /nfs/dbraw/zinc/67/59/79/394675979.db2.gz GBKJNVZBWWREQH-AWEZNQCLSA-N 1 2 286.379 2.044 40 0 CEABLO c1cn(-c2cccc([C@@H]3CCCN3c3cnccn3)n2)c[nH+]1 ZINC000072355556 176375126 /nfs/dbraw/zinc/37/51/26/176375126.db2.gz KKVHOLZKLCUPDQ-AWEZNQCLSA-N 1 2 292.346 2.399 40 0 CEABLO COc1ccccc1-c1cc([C@@H]2COCC[NH2+]2)nc(C)n1 ZINC000072366301 176381141 /nfs/dbraw/zinc/38/11/41/176381141.db2.gz QMLYOXFUFAESKY-HNNXBMFYSA-N 1 2 285.347 2.122 40 0 CEABLO C[N@@H+]1CCCC[C@@H]1c1ccnc(Nc2ncccn2)n1 ZINC000072377378 176385458 /nfs/dbraw/zinc/38/54/58/176385458.db2.gz AMJAKDBCWOKXER-GFCCVEGCSA-N 1 2 270.340 2.167 40 0 CEABLO C[N@H+]1CCCC[C@@H]1c1ccnc(Nc2ncccn2)n1 ZINC000072377378 176385460 /nfs/dbraw/zinc/38/54/60/176385460.db2.gz AMJAKDBCWOKXER-GFCCVEGCSA-N 1 2 270.340 2.167 40 0 CEABLO CCOc1ccc(-c2n[nH]c([C@H](C)[NH3+])n2)cc1OCC ZINC000095534689 185006916 /nfs/dbraw/zinc/00/69/16/185006916.db2.gz VJMHQRDOAUQTBF-VIFPVBQESA-N 1 2 276.340 2.289 40 0 CEABLO CC(C)[N@@H+]1CCO[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC000096054276 185076029 /nfs/dbraw/zinc/07/60/29/185076029.db2.gz AXPOYMYXGBOMCC-KGLIPLIRSA-N 1 2 266.410 2.042 40 0 CEABLO CC(C)[N@H+]1CCO[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC000096054276 185076030 /nfs/dbraw/zinc/07/60/30/185076030.db2.gz AXPOYMYXGBOMCC-KGLIPLIRSA-N 1 2 266.410 2.042 40 0 CEABLO CCn1ncc2c1[C@@H](COC)C[N@H+](Cc1ccoc1)C2 ZINC000096060134 185080160 /nfs/dbraw/zinc/08/01/60/185080160.db2.gz CITBZZFDOHBCCV-CQSZACIVSA-N 1 2 275.352 2.242 40 0 CEABLO CCn1ncc2c1[C@@H](COC)C[N@@H+](Cc1ccoc1)C2 ZINC000096060134 185080161 /nfs/dbraw/zinc/08/01/61/185080161.db2.gz CITBZZFDOHBCCV-CQSZACIVSA-N 1 2 275.352 2.242 40 0 CEABLO Cc1ccc(C(=O)NCCCn2cc[nH+]c2)c(C)c1 ZINC000047465672 362209654 /nfs/dbraw/zinc/20/96/54/362209654.db2.gz VBZOGQUOAMRZRZ-UHFFFAOYSA-N 1 2 257.337 2.320 40 0 CEABLO CNc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc[nH+]1 ZINC000329021768 136377786 /nfs/dbraw/zinc/37/77/86/136377786.db2.gz OJBZRHGGRCBVJR-NSHDSACASA-N 1 2 284.363 2.134 40 0 CEABLO CNc1cc(N2CCc3cc([C@H](C)O)ccc3C2)[nH+]cn1 ZINC000329021768 136377787 /nfs/dbraw/zinc/37/77/87/136377787.db2.gz OJBZRHGGRCBVJR-NSHDSACASA-N 1 2 284.363 2.134 40 0 CEABLO C[N@@H+]1CCN(C(=O)c2cccnc2)C[C@@H]1c1ccccc1 ZINC000062109016 362705795 /nfs/dbraw/zinc/70/57/95/362705795.db2.gz NQZRUJIWPDQXQH-MRXNPFEDSA-N 1 2 281.359 2.211 40 0 CEABLO C[N@H+]1CCN(C(=O)c2cccnc2)C[C@@H]1c1ccccc1 ZINC000062109016 362705802 /nfs/dbraw/zinc/70/58/02/362705802.db2.gz NQZRUJIWPDQXQH-MRXNPFEDSA-N 1 2 281.359 2.211 40 0 CEABLO CC[C@@H](C)Nc1nc(NC(C)C)cc(-c2ccncc2)[nH+]1 ZINC000328975907 202138315 /nfs/dbraw/zinc/13/83/15/202138315.db2.gz FMAPQDWFZUCYPL-GFCCVEGCSA-N 1 2 285.395 2.413 40 0 CEABLO Cc1[nH]c2ccc(CNC(=O)Cn3cc[nH+]c3)cc2c1C ZINC000019576850 361543590 /nfs/dbraw/zinc/54/35/90/361543590.db2.gz RMPQHOPAKVEPNQ-UHFFFAOYSA-N 1 2 282.347 2.298 40 0 CEABLO Cc1ccc(C(C)C)cc1[C@@H](O)C[NH+]1CCOCC1 ZINC000031911700 361723042 /nfs/dbraw/zinc/72/30/42/361723042.db2.gz UOPFBANJOIFBPB-INIZCTEOSA-N 1 2 263.381 2.484 40 0 CEABLO O=Cc1ccc(N2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000031973674 361724133 /nfs/dbraw/zinc/72/41/33/361724133.db2.gz XZOQNRVLHSSXGG-UHFFFAOYSA-N 1 2 270.332 2.414 40 0 CEABLO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccc(F)c(F)c1 ZINC000097953690 364520827 /nfs/dbraw/zinc/52/08/27/364520827.db2.gz POQSNJIZVSBNQD-RRFJBIMHSA-N 1 2 283.318 2.343 40 0 CEABLO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccc(F)c(F)c1 ZINC000097953690 364520833 /nfs/dbraw/zinc/52/08/33/364520833.db2.gz POQSNJIZVSBNQD-RRFJBIMHSA-N 1 2 283.318 2.343 40 0 CEABLO Cc1cc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc[nH+]1 ZINC000098214200 364537804 /nfs/dbraw/zinc/53/78/04/364537804.db2.gz ZGTDOCGOWZXXGI-LLVKDONJSA-N 1 2 278.356 2.206 40 0 CEABLO c1cc2nc([C@H]3CCCC[N@H+]3Cc3cc[nH]n3)ccn2n1 ZINC000257243625 371609968 /nfs/dbraw/zinc/60/99/68/371609968.db2.gz IHVDPKQSNDSJND-CQSZACIVSA-N 1 2 282.351 2.180 40 0 CEABLO c1cc2nc([C@H]3CCCC[N@@H+]3Cc3cc[nH]n3)ccn2n1 ZINC000257243625 371609974 /nfs/dbraw/zinc/60/99/74/371609974.db2.gz IHVDPKQSNDSJND-CQSZACIVSA-N 1 2 282.351 2.180 40 0 CEABLO CC(=O)N1CC[N@H+](Cc2ccncc2)[C@@H](c2ccccc2)C1 ZINC000257313507 371612359 /nfs/dbraw/zinc/61/23/59/371612359.db2.gz USWMRFRJBAZKPB-GOSISDBHSA-N 1 2 295.386 2.487 40 0 CEABLO CC(=O)N1CC[N@@H+](Cc2ccncc2)[C@@H](c2ccccc2)C1 ZINC000257313507 371612366 /nfs/dbraw/zinc/61/23/66/371612366.db2.gz USWMRFRJBAZKPB-GOSISDBHSA-N 1 2 295.386 2.487 40 0 CEABLO Cc1c[nH]c([C@@H]2CCCN2S(=O)(=O)c2ccccc2)[nH+]1 ZINC000257288849 190026906 /nfs/dbraw/zinc/02/69/06/190026906.db2.gz PVYULXKGEYJVBI-ZDUSSCGKSA-N 1 2 291.376 2.244 40 0 CEABLO Cc1nc[nH]c1C[N@@H+]1CCC[C@H]1c1cncc(C)n1 ZINC000257311351 190031653 /nfs/dbraw/zinc/03/16/53/190031653.db2.gz UJAPVLDPFMITPC-AWEZNQCLSA-N 1 2 257.341 2.154 40 0 CEABLO Cc1nc[nH]c1C[N@H+]1CCC[C@H]1c1cncc(C)n1 ZINC000257311351 190031654 /nfs/dbraw/zinc/03/16/54/190031654.db2.gz UJAPVLDPFMITPC-AWEZNQCLSA-N 1 2 257.341 2.154 40 0 CEABLO Cn1cc(C[NH2+]Cc2csc(C3CCC3)n2)cn1 ZINC000095093907 256745196 /nfs/dbraw/zinc/74/51/96/256745196.db2.gz NIAHDSZSPYKPGR-UHFFFAOYSA-N 1 2 262.382 2.434 40 0 CEABLO Cc1ccc([C@@]2(O)CCN(c3cc(C)[nH+]cn3)C2)cc1 ZINC000072368991 394598233 /nfs/dbraw/zinc/59/82/33/394598233.db2.gz PHCMTBBRABZKSC-MRXNPFEDSA-N 1 2 269.348 2.191 40 0 CEABLO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccco1 ZINC000096057786 286216722 /nfs/dbraw/zinc/21/67/22/286216722.db2.gz UVVIMAIPTLDJCV-BFHYXJOUSA-N 1 2 251.326 2.048 40 0 CEABLO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccco1 ZINC000096057786 286216723 /nfs/dbraw/zinc/21/67/23/286216723.db2.gz UVVIMAIPTLDJCV-BFHYXJOUSA-N 1 2 251.326 2.048 40 0 CEABLO CNc1cncc([C@H]2CCCN2c2cccc[nH+]2)n1 ZINC000072356644 176375618 /nfs/dbraw/zinc/37/56/18/176375618.db2.gz FIBADTVRVBDUBI-GFCCVEGCSA-N 1 2 255.325 2.255 40 0 CEABLO CC(C)[C@H]1c2cccn2CCN1Cc1[nH+]ccn1C ZINC000072368033 176382948 /nfs/dbraw/zinc/38/29/48/176382948.db2.gz KZCBCFADKXPEHR-HNNXBMFYSA-N 1 2 258.369 2.435 40 0 CEABLO CNc1ccc([C@@H]2C[N@H+](Cc3ccc(O)cc3)CCO2)nc1 ZINC000072388037 176393065 /nfs/dbraw/zinc/39/30/65/176393065.db2.gz OYLMANCOMZEPBR-KRWDZBQOSA-N 1 2 299.374 2.402 40 0 CEABLO CNc1ccc([C@@H]2C[N@@H+](Cc3ccc(O)cc3)CCO2)nc1 ZINC000072388037 176393067 /nfs/dbraw/zinc/39/30/67/176393067.db2.gz OYLMANCOMZEPBR-KRWDZBQOSA-N 1 2 299.374 2.402 40 0 CEABLO Nc1cc(I)c2ccc[nH+]c2c1O ZINC000013207762 295349563 /nfs/dbraw/zinc/34/95/63/295349563.db2.gz JJCLLNDLDHJDRA-UHFFFAOYSA-N 1 2 286.072 2.127 40 0 CEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ccc(C)s2)[nH+]1 ZINC000257254874 301024343 /nfs/dbraw/zinc/02/43/43/301024343.db2.gz KFAWMARBYAIXIN-NSHDSACASA-N 1 2 291.376 2.302 40 0 CEABLO CC(C)(C)OC(=O)[C@H]([NH3+])Cc1cc(Cl)ncc1F ZINC000008698147 333207430 /nfs/dbraw/zinc/20/74/30/333207430.db2.gz WISACZJOARPZOC-SECBINFHSA-N 1 2 274.723 2.086 40 0 CEABLO COC(=O)C1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000095738949 185024199 /nfs/dbraw/zinc/02/41/99/185024199.db2.gz WCRCAWQAXIRLBK-UHFFFAOYSA-N 1 2 269.291 2.350 40 0 CEABLO CCn1nnc2c1[C@H](COC)C[N@H+](Cc1ccsc1)C2 ZINC000096060827 185082738 /nfs/dbraw/zinc/08/27/38/185082738.db2.gz ZGNODXCKHAAMFQ-LBPRGKRZSA-N 1 2 292.408 2.105 40 0 CEABLO CCn1nnc2c1[C@H](COC)C[N@@H+](Cc1ccsc1)C2 ZINC000096060827 185082740 /nfs/dbraw/zinc/08/27/40/185082740.db2.gz ZGNODXCKHAAMFQ-LBPRGKRZSA-N 1 2 292.408 2.105 40 0 CEABLO c1sc(Nc2ncccn2)nc1[C@H]1CCCC[NH2+]1 ZINC000205680983 539178358 /nfs/dbraw/zinc/17/83/58/539178358.db2.gz DTTOCYWQXJJASS-SECBINFHSA-N 1 2 261.354 2.491 40 0 CEABLO CC(C)[N@H+]1Cc2ccnn2[C@H](COc2ccccn2)C1 ZINC000585112314 345005624 /nfs/dbraw/zinc/00/56/24/345005624.db2.gz OKNVXEMASOTDSY-AWEZNQCLSA-N 1 2 272.352 2.122 40 0 CEABLO CC(C)[N@@H+]1Cc2ccnn2[C@H](COc2ccccn2)C1 ZINC000585112314 345005626 /nfs/dbraw/zinc/00/56/26/345005626.db2.gz OKNVXEMASOTDSY-AWEZNQCLSA-N 1 2 272.352 2.122 40 0 CEABLO CC[C@@H](C)c1ccccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000023633520 361602277 /nfs/dbraw/zinc/60/22/77/361602277.db2.gz FTVXGJKNVSAJBT-HUUCEWRRSA-N 1 2 293.407 2.272 40 0 CEABLO CCn1nc(C)c(C[NH2+]Cc2ccn(C(C)C)n2)c1F ZINC000256054562 190005230 /nfs/dbraw/zinc/00/52/30/190005230.db2.gz WUZMJBYDFGMTBM-UHFFFAOYSA-N 1 2 279.363 2.418 40 0 CEABLO COc1ccccc1C[NH2+]Cc1ccn(CCF)n1 ZINC000256051034 190003858 /nfs/dbraw/zinc/00/38/58/190003858.db2.gz HLRVURYGVVUGBP-UHFFFAOYSA-N 1 2 263.316 2.151 40 0 CEABLO Cc1c[nH]c([C@@H]2CCCN2S(=O)(=O)C2CCCC2)[nH+]1 ZINC000257227431 190015099 /nfs/dbraw/zinc/01/50/99/190015099.db2.gz FPFZISIRMXUSRH-LBPRGKRZSA-N 1 2 283.397 2.127 40 0 CEABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cccn3C)C2)[nH+]1 ZINC000257254763 190020452 /nfs/dbraw/zinc/02/04/52/190020452.db2.gz KEOCNMRQWSGNAE-GFCCVEGCSA-N 1 2 272.352 2.076 40 0 CEABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)Cc2csc(C)n2)[nH+]1 ZINC000257263805 190022614 /nfs/dbraw/zinc/02/26/14/190022614.db2.gz LRNGRMSLKVDIPN-LBPRGKRZSA-N 1 2 290.392 2.389 40 0 CEABLO Cc1cc([C@H]2CCCC[N@@H+]2Cc2cc[nH]n2)nc2ccnn21 ZINC000257287791 190027249 /nfs/dbraw/zinc/02/72/49/190027249.db2.gz PRNPLJDQOKZXQA-OAHLLOKOSA-N 1 2 296.378 2.488 40 0 CEABLO Cc1cc([C@H]2CCCC[N@H+]2Cc2cc[nH]n2)nc2ccnn21 ZINC000257287791 190027250 /nfs/dbraw/zinc/02/72/50/190027250.db2.gz PRNPLJDQOKZXQA-OAHLLOKOSA-N 1 2 296.378 2.488 40 0 CEABLO CNc1cncc([C@@H]2CCC[N@@H+]2Cc2nccs2)n1 ZINC000257314243 190031597 /nfs/dbraw/zinc/03/15/97/190031597.db2.gz UWAATUFMXFAYEQ-NSHDSACASA-N 1 2 275.381 2.312 40 0 CEABLO CNc1cncc([C@@H]2CCC[N@H+]2Cc2nccs2)n1 ZINC000257314243 190031598 /nfs/dbraw/zinc/03/15/98/190031598.db2.gz UWAATUFMXFAYEQ-NSHDSACASA-N 1 2 275.381 2.312 40 0 CEABLO CCn1cc[nH+]c1CN1CCCC[C@@H]1c1ccnc(N)n1 ZINC000257312148 190031639 /nfs/dbraw/zinc/03/16/39/190031639.db2.gz UMQUTEUHFCKZMF-CYBMUJFWSA-N 1 2 286.383 2.002 40 0 CEABLO CCn1ccnc1C[N@@H+]1CCCC[C@@H]1c1ccnc(N)n1 ZINC000257312148 190031640 /nfs/dbraw/zinc/03/16/40/190031640.db2.gz UMQUTEUHFCKZMF-CYBMUJFWSA-N 1 2 286.383 2.002 40 0 CEABLO CCn1ccnc1C[N@H+]1CCCC[C@@H]1c1ccnc(N)n1 ZINC000257312148 190031641 /nfs/dbraw/zinc/03/16/41/190031641.db2.gz UMQUTEUHFCKZMF-CYBMUJFWSA-N 1 2 286.383 2.002 40 0 CEABLO CNc1cc([C@@H]2CCCN2C(=O)c2cnc(C)cn2)cc[nH+]1 ZINC000257294464 190028308 /nfs/dbraw/zinc/02/83/08/190028308.db2.gz QUHSKNPJVBZQOU-AWEZNQCLSA-N 1 2 297.362 2.199 40 0 CEABLO CCCn1ccc(C(=O)N2CCC[C@@H]2c2[nH]cc(C)[nH+]2)n1 ZINC000257297990 190029095 /nfs/dbraw/zinc/02/90/95/190029095.db2.gz RJQMRYMMZHRXBA-CYBMUJFWSA-N 1 2 287.367 2.302 40 0 CEABLO CCn1nc(C)c(C[N@@H+]2CC[C@@H](c3ccn[nH]3)C2)c1C ZINC000257304679 190030526 /nfs/dbraw/zinc/03/05/26/190030526.db2.gz SMRZFIRWGUQAHL-CYBMUJFWSA-N 1 2 273.384 2.232 40 0 CEABLO CCn1nc(C)c(C[N@H+]2CC[C@@H](c3ccn[nH]3)C2)c1C ZINC000257304679 190030527 /nfs/dbraw/zinc/03/05/27/190030527.db2.gz SMRZFIRWGUQAHL-CYBMUJFWSA-N 1 2 273.384 2.232 40 0 CEABLO COc1cccc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OC)C2)c1 ZINC000257322974 190034031 /nfs/dbraw/zinc/03/40/31/190034031.db2.gz WIHAXGRXAYYKHG-IRXDYDNUSA-N 1 2 291.391 2.465 40 0 CEABLO COc1cccc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OC)C2)c1 ZINC000257322974 190034032 /nfs/dbraw/zinc/03/40/32/190034032.db2.gz WIHAXGRXAYYKHG-IRXDYDNUSA-N 1 2 291.391 2.465 40 0 CEABLO Cc1nc(N2C[C@@H]3[C@@H](Cc4ncccn4)CC[C@@H]3C2)cc[nH+]1 ZINC000257323615 190034320 /nfs/dbraw/zinc/03/43/20/190034320.db2.gz WLCDEOSSJTZARI-RBSFLKMASA-N 1 2 295.390 2.280 40 0 CEABLO Cc1cccc(C[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC000257327233 190034737 /nfs/dbraw/zinc/03/47/37/190034737.db2.gz XAOPBQQWNSHMRK-OAHLLOKOSA-N 1 2 298.390 2.068 40 0 CEABLO CNc1cc(C)nc([C@@]2(C)CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257341329 190036979 /nfs/dbraw/zinc/03/69/79/190036979.db2.gz ZJWZFSIWWPCYIE-OAHLLOKOSA-N 1 2 286.383 2.061 40 0 CEABLO COc1cccc(-c2cc([C@@H]3COCC[NH2+]3)nc(C)n2)c1 ZINC000072366327 176381159 /nfs/dbraw/zinc/38/11/59/176381159.db2.gz YDXSOZMUXIZCNQ-INIZCTEOSA-N 1 2 285.347 2.122 40 0 CEABLO Cc1cc(C)nc([C@H]2CCN(c3cc[nH+]c(C)n3)C2)n1 ZINC000072385855 176390573 /nfs/dbraw/zinc/39/05/73/176390573.db2.gz LIQLYBHZZIYHSY-ZDUSSCGKSA-N 1 2 269.352 2.186 40 0 CEABLO Nc1ncc2c(n1)-c1ccccc1O[C@@H]2[NH+]1CCCC1 ZINC000029208142 295371750 /nfs/dbraw/zinc/37/17/50/295371750.db2.gz LBOVMKZIZZCQRO-AWEZNQCLSA-N 1 2 268.320 2.213 40 0 CEABLO [NH3+][C@@H](c1nnc(-c2ccc(O)cc2)[nH]1)c1ccccc1 ZINC000095533405 185006064 /nfs/dbraw/zinc/00/60/64/185006064.db2.gz VSVYWFQLPJGKDH-CYBMUJFWSA-N 1 2 266.304 2.225 40 0 CEABLO [NH3+][C@@H](c1nc(-c2ccc(O)cc2)n[nH]1)c1ccccc1 ZINC000095533405 185006066 /nfs/dbraw/zinc/00/60/66/185006066.db2.gz VSVYWFQLPJGKDH-CYBMUJFWSA-N 1 2 266.304 2.225 40 0 CEABLO [NH3+][C@@H](Cc1ccccc1)c1nc(-c2cccc(O)c2)n[nH]1 ZINC000095534846 185008218 /nfs/dbraw/zinc/00/82/18/185008218.db2.gz IOHTVRNCKHTFNG-AWEZNQCLSA-N 1 2 280.331 2.420 40 0 CEABLO Cc1ncc(C[N@@H+]2C[C@@H]3ON=C(c4ccccc4)[C@@H]3C2)cn1 ZINC000019287185 343373834 /nfs/dbraw/zinc/37/38/34/343373834.db2.gz RPJVEQCKAHAXDC-CVEARBPZSA-N 1 2 294.358 2.020 40 0 CEABLO Cc1ncc(C[N@H+]2C[C@@H]3ON=C(c4ccccc4)[C@@H]3C2)cn1 ZINC000019287185 343373835 /nfs/dbraw/zinc/37/38/35/343373835.db2.gz RPJVEQCKAHAXDC-CVEARBPZSA-N 1 2 294.358 2.020 40 0 CEABLO C[N@H+](CC(=O)NC(=O)c1ccccc1)Cc1ccccc1 ZINC000001713438 282351734 /nfs/dbraw/zinc/35/17/34/282351734.db2.gz MNMDQWGYTFAFHK-UHFFFAOYSA-N 1 2 282.343 2.075 40 0 CEABLO C[N@@H+](CC(=O)NC(=O)c1ccccc1)Cc1ccccc1 ZINC000001713438 282351736 /nfs/dbraw/zinc/35/17/36/282351736.db2.gz MNMDQWGYTFAFHK-UHFFFAOYSA-N 1 2 282.343 2.075 40 0 CEABLO CNc1cc([C@H]2CCCN(c3cc(C)ncn3)C2)[nH+]c(C)n1 ZINC000072364155 363130904 /nfs/dbraw/zinc/13/09/04/363130904.db2.gz ZILGPCYIMPCLDR-ZDUSSCGKSA-N 1 2 298.394 2.309 40 0 CEABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NCCO)n2)cc1 ZINC000329047815 202166505 /nfs/dbraw/zinc/16/65/05/202166505.db2.gz UHQWDQYHGZRCJS-UHFFFAOYSA-N 1 2 284.363 2.232 40 0 CEABLO CCCNc1[nH+]cnc2c1cnn2[C@H]1CCCCO1 ZINC000001678770 361216491 /nfs/dbraw/zinc/21/64/91/361216491.db2.gz SXUSQGQBCDJEML-LLVKDONJSA-N 1 2 261.329 2.347 40 0 CEABLO COc1ccccc1C[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC000019570864 361543340 /nfs/dbraw/zinc/54/33/40/361543340.db2.gz KHFWULIJNYTFST-UHFFFAOYSA-N 1 2 295.342 2.222 40 0 CEABLO c1cnn(Cc2c[nH+]c3n2CCN(Cc2cccs2)C3)c1 ZINC000096201088 364410702 /nfs/dbraw/zinc/41/07/02/364410702.db2.gz OPPZSOBSMVNZER-UHFFFAOYSA-N 1 2 299.403 2.205 40 0 CEABLO Cc1nc([C@@H]2COCC[N@@H+]2CC2CCOCC2)cs1 ZINC000096220672 364414743 /nfs/dbraw/zinc/41/47/43/364414743.db2.gz HSJTXGPGGXTCSX-AWEZNQCLSA-N 1 2 282.409 2.251 40 0 CEABLO Cc1nc([C@@H]2COCC[N@H+]2CC2CCOCC2)cs1 ZINC000096220672 364414747 /nfs/dbraw/zinc/41/47/47/364414747.db2.gz HSJTXGPGGXTCSX-AWEZNQCLSA-N 1 2 282.409 2.251 40 0 CEABLO COC[C@H]1CCn2nccc2C[N@@H+]1Cc1cccc(C)n1 ZINC000585097858 367178181 /nfs/dbraw/zinc/17/81/81/367178181.db2.gz RYBQCOQVBCLNGA-MRXNPFEDSA-N 1 2 286.379 2.007 40 0 CEABLO COC[C@H]1CCn2nccc2C[N@H+]1Cc1cccc(C)n1 ZINC000585097858 367178187 /nfs/dbraw/zinc/17/81/87/367178187.db2.gz RYBQCOQVBCLNGA-MRXNPFEDSA-N 1 2 286.379 2.007 40 0 CEABLO Cc1oncc1C(=O)N(Cc1c[nH+]c2ccccn12)C1CC1 ZINC000206873399 370157511 /nfs/dbraw/zinc/15/75/11/370157511.db2.gz ZUUHTIXOOUKWBS-UHFFFAOYSA-N 1 2 296.330 2.436 40 0 CEABLO Cc1c[nH]c([C@@H]2COCCN2Cc2ccsc2)[nH+]1 ZINC000257299354 371611599 /nfs/dbraw/zinc/61/15/99/371611599.db2.gz RPRHVEIFUQUMAH-LBPRGKRZSA-N 1 2 263.366 2.353 40 0 CEABLO CC(C)n1ccc(C[NH2+]Cc2cnn(CC(F)F)c2)n1 ZINC000256051120 190003713 /nfs/dbraw/zinc/00/37/13/190003713.db2.gz HURLCMIFFGOCFX-UHFFFAOYSA-N 1 2 283.326 2.215 40 0 CEABLO CNc1cc([C@@H]2CCCN2C(=O)C2CCOCC2)cc[nH+]1 ZINC000257239386 190017788 /nfs/dbraw/zinc/01/77/88/190017788.db2.gz HPBONEBRISTJMT-AWEZNQCLSA-N 1 2 289.379 2.213 40 0 CEABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3cc(C(C)C)no3)C2)[nH+]1 ZINC000257296210 190028779 /nfs/dbraw/zinc/02/87/79/190028779.db2.gz RBSVWQUPFMXTPH-NSHDSACASA-N 1 2 288.351 2.459 40 0 CEABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2cccn2C)[nH+]1 ZINC000257307234 190031250 /nfs/dbraw/zinc/03/12/50/190031250.db2.gz SXUDEWQNGGYHCJ-LLVKDONJSA-N 1 2 258.325 2.034 40 0 CEABLO Cc1ccccc1C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257324653 190034211 /nfs/dbraw/zinc/03/42/11/190034211.db2.gz WPPPQPCFTDCRFX-HOTGVXAUSA-N 1 2 261.365 2.111 40 0 CEABLO Cc1ccccc1C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257324653 190034212 /nfs/dbraw/zinc/03/42/12/190034212.db2.gz WPPPQPCFTDCRFX-HOTGVXAUSA-N 1 2 261.365 2.111 40 0 CEABLO Cc1ccccc1CC(=O)N1CC[C@@]2(CCn3cc[nH+]c32)C1 ZINC000306135074 376541194 /nfs/dbraw/zinc/54/11/94/376541194.db2.gz OHCXMSXXNPMNHB-SFHVURJKSA-N 1 2 295.386 2.308 40 0 CEABLO Cc1cc([C@@H]2CCCN2C=O)c[nH+]c1N1CCCC1 ZINC000072218787 394593381 /nfs/dbraw/zinc/59/33/81/394593381.db2.gz OADDNDSYKOUCMS-AWEZNQCLSA-N 1 2 259.353 2.284 40 0 CEABLO Cc1cccc2c(C)nc(NC3=[NH+]CN(C(C)C)CN3)nc12 ZINC000020634345 171268202 /nfs/dbraw/zinc/26/82/02/171268202.db2.gz KVEIGNISCVTYRE-UHFFFAOYSA-N 1 2 298.394 2.243 40 0 CEABLO CCN1CNC(Nc2nc(C)c3cc(C)cc(C)c3n2)=[NH+]C1 ZINC000020634424 171268265 /nfs/dbraw/zinc/26/82/65/171268265.db2.gz IABSEYOVZZZRGX-UHFFFAOYSA-N 1 2 298.394 2.163 40 0 CEABLO Cc1ccc([C@]2(O)CCN(c3cc[nH+]c(C)n3)C2)cc1 ZINC000072369056 176383788 /nfs/dbraw/zinc/38/37/88/176383788.db2.gz YKQVOWYYCABZLQ-INIZCTEOSA-N 1 2 269.348 2.191 40 0 CEABLO Fc1ccccc1C1=NO[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]12 ZINC000072398490 176397078 /nfs/dbraw/zinc/39/70/78/176397078.db2.gz YSIBZSRIWQELLF-GDBMZVCRSA-N 1 2 297.333 2.456 40 0 CEABLO Fc1ccccc1C1=NO[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]12 ZINC000072398490 176397080 /nfs/dbraw/zinc/39/70/80/176397080.db2.gz YSIBZSRIWQELLF-GDBMZVCRSA-N 1 2 297.333 2.456 40 0 CEABLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2cncc(C)n2)no1 ZINC000257344316 301273294 /nfs/dbraw/zinc/27/32/94/301273294.db2.gz ZWPUDNBOYJRISZ-CQSZACIVSA-N 1 2 258.325 2.419 40 0 CEABLO Cc1cc(C[N@H+]2CCC[C@@H]2c2cncc(C)n2)no1 ZINC000257344316 301273297 /nfs/dbraw/zinc/27/32/97/301273297.db2.gz ZWPUDNBOYJRISZ-CQSZACIVSA-N 1 2 258.325 2.419 40 0 CEABLO Cc1cc(=O)cc([C@@H]2CCCN2c2cc(C)[nH+]cn2)[nH]1 ZINC000072385563 301338442 /nfs/dbraw/zinc/33/84/42/301338442.db2.gz AGQUIVAQLCRLAL-AWEZNQCLSA-N 1 2 270.336 2.123 40 0 CEABLO CCn1cc2c(n1)[C@H](COC)C[N@@H+](Cc1ccco1)C2 ZINC000096059868 185080776 /nfs/dbraw/zinc/08/07/76/185080776.db2.gz DEQWQQDQUGZDER-ZDUSSCGKSA-N 1 2 275.352 2.242 40 0 CEABLO CCn1cc2c(n1)[C@H](COC)C[N@H+](Cc1ccco1)C2 ZINC000096059868 185080777 /nfs/dbraw/zinc/08/07/77/185080777.db2.gz DEQWQQDQUGZDER-ZDUSSCGKSA-N 1 2 275.352 2.242 40 0 CEABLO C[C@H](CO)Nc1cc(N2Cc3ccccc3C[C@H]2C)nc[nH+]1 ZINC000329017978 136377779 /nfs/dbraw/zinc/37/77/79/136377779.db2.gz NOLGDTYLDCUORG-CHWSQXEVSA-N 1 2 298.390 2.221 40 0 CEABLO C[C@H](CO)Nc1cc(N2Cc3ccccc3C[C@H]2C)[nH+]cn1 ZINC000329017978 136377780 /nfs/dbraw/zinc/37/77/80/136377780.db2.gz NOLGDTYLDCUORG-CHWSQXEVSA-N 1 2 298.390 2.221 40 0 CEABLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](Cc2ccccc2)[C@H](O)C1 ZINC000585278836 345010021 /nfs/dbraw/zinc/01/00/21/345010021.db2.gz HJDNJVMBIFAZFY-NVXWUHKLSA-N 1 2 285.391 2.144 40 0 CEABLO Cc1[nH]ncc1C[N@H+]1CC[C@H](Cc2ccccc2)[C@H](O)C1 ZINC000585278836 345010024 /nfs/dbraw/zinc/01/00/24/345010024.db2.gz HJDNJVMBIFAZFY-NVXWUHKLSA-N 1 2 285.391 2.144 40 0 CEABLO C[N@H+](Cc1cccc(Cl)c1)[C@]1(C)CCS(=O)(=O)C1 ZINC000575419925 539650901 /nfs/dbraw/zinc/65/09/01/539650901.db2.gz AUIYLAHTZQKJDA-CYBMUJFWSA-N 1 2 287.812 2.349 40 0 CEABLO C[N@@H+](Cc1cccc(Cl)c1)[C@]1(C)CCS(=O)(=O)C1 ZINC000575419925 539650905 /nfs/dbraw/zinc/65/09/05/539650905.db2.gz AUIYLAHTZQKJDA-CYBMUJFWSA-N 1 2 287.812 2.349 40 0 CEABLO Cc1nc(N2CCCC[C@@H]2c2cnccn2)cc[nH+]1 ZINC000072364328 363131424 /nfs/dbraw/zinc/13/14/24/363131424.db2.gz UQYKOAYLXSLBHZ-CYBMUJFWSA-N 1 2 255.325 2.307 40 0 CEABLO CCC[C@@H](C(=O)OC)[NH+]1CCN(c2ccccc2)CC1 ZINC000022538716 361588092 /nfs/dbraw/zinc/58/80/92/361588092.db2.gz KIQSDJCPVSXBOQ-HNNXBMFYSA-N 1 2 276.380 2.150 40 0 CEABLO CCOC[C@H]1c2c([nH+]cn2C(C)C)CCN1C(=O)CC ZINC000096260293 364418458 /nfs/dbraw/zinc/41/84/58/364418458.db2.gz XEOYXQRTSORVLM-ZDUSSCGKSA-N 1 2 279.384 2.336 40 0 CEABLO CCCn1c(CCC[NH3+])[nH+]c2cc(C(=O)[O-])ccc21 ZINC000225297807 370290047 /nfs/dbraw/zinc/29/00/47/370290047.db2.gz PFGQCQIWEABOPL-UHFFFAOYSA-N 1 2 261.325 2.036 40 0 CEABLO CC(=O)N1CCN(c2cc[nH+]c(C)n2)[C@H](c2ccccc2)C1 ZINC000257337833 371612548 /nfs/dbraw/zinc/61/25/48/371612548.db2.gz YUPHALPQDYZRQC-INIZCTEOSA-N 1 2 296.374 2.195 40 0 CEABLO Cc1nn(C2CCCC2)cc1C[NH2+]Cc1ccn(C)n1 ZINC000256052003 190003473 /nfs/dbraw/zinc/00/34/73/190003473.db2.gz LLRBROYFZFPPBJ-UHFFFAOYSA-N 1 2 273.384 2.330 40 0 CEABLO CCCn1cc(C[NH2+]Cc2ccn(CC(F)F)n2)c(C)n1 ZINC000256051402 190003530 /nfs/dbraw/zinc/00/35/30/190003530.db2.gz JAONJBBCQKVAII-UHFFFAOYSA-N 1 2 297.353 2.353 40 0 CEABLO Cn1ccc(C[NH2+]Cc2cnn(C3CCCC3)c2)n1 ZINC000256052225 190004318 /nfs/dbraw/zinc/00/43/18/190004318.db2.gz MLHYHXNAMUJFNN-UHFFFAOYSA-N 1 2 259.357 2.022 40 0 CEABLO O=C(CCn1cc[nH+]c1)N1CCC[C@H](Cc2cccnc2)C1 ZINC000257218481 190014018 /nfs/dbraw/zinc/01/40/18/190014018.db2.gz DDGXBXRYBPBEJE-MRXNPFEDSA-N 1 2 298.390 2.150 40 0 CEABLO Cc1cc(N2C[C@@H]3[C@H](Oc4cccnc4)CC[C@@H]3C2)nc[nH+]1 ZINC000257251851 190019826 /nfs/dbraw/zinc/01/98/26/190019826.db2.gz JSNCWJPFSKOLDB-VNQPRFMTSA-N 1 2 296.374 2.474 40 0 CEABLO Cc1c[nH]c([C@H]2CCN(C(=O)Cc3csc(C)n3)C2)[nH+]1 ZINC000257259161 190021895 /nfs/dbraw/zinc/02/18/95/190021895.db2.gz KXCZPPHXZWOIMR-NSHDSACASA-N 1 2 290.392 2.042 40 0 CEABLO Cc1cc(N2CC[C@@H](Cc3ccccn3)C2)nc[nH+]1 ZINC000257280555 190025485 /nfs/dbraw/zinc/02/54/85/190025485.db2.gz OLIYDZMDVQDPCD-ZDUSSCGKSA-N 1 2 254.337 2.249 40 0 CEABLO CN(C)C(=O)[C@@]1(C)C[N@H+](Cc2cccc(Cl)c2)CCO1 ZINC000257281033 190026012 /nfs/dbraw/zinc/02/60/12/190026012.db2.gz ONJBNOJVHGYFEM-OAHLLOKOSA-N 1 2 296.798 2.019 40 0 CEABLO CN(C)C(=O)[C@@]1(C)C[N@@H+](Cc2cccc(Cl)c2)CCO1 ZINC000257281033 190026013 /nfs/dbraw/zinc/02/60/13/190026013.db2.gz ONJBNOJVHGYFEM-OAHLLOKOSA-N 1 2 296.798 2.019 40 0 CEABLO CNc1cc([C@@H]2CCCN2C(=O)c2cnc(C)nc2)cc[nH+]1 ZINC000257272966 190024901 /nfs/dbraw/zinc/02/49/01/190024901.db2.gz NEQZEKBLWXFDBF-AWEZNQCLSA-N 1 2 297.362 2.199 40 0 CEABLO CNc1cc([C@H]2CCCN(C(=O)c3cccn3C)C2)cc[nH+]1 ZINC000257291993 190027991 /nfs/dbraw/zinc/02/79/91/190027991.db2.gz QJNDKPDZMDDVMY-AWEZNQCLSA-N 1 2 298.390 2.482 40 0 CEABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)Cc2cccnc2)[nH+]1 ZINC000257311413 190031880 /nfs/dbraw/zinc/03/18/80/190031880.db2.gz UJHWMPDJJZVTOA-ZDUSSCGKSA-N 1 2 270.336 2.019 40 0 CEABLO C[N@@H+]1CC[C@@H](CC(=O)[O-])[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000514289221 379130705 /nfs/dbraw/zinc/13/07/05/379130705.db2.gz JUYSCEJYSDIQAD-RYUDHWBXSA-N 1 2 287.363 2.148 40 0 biogenic,in-vitro CEABLO C[N@H+]1CC[C@@H](CC(=O)[O-])[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000514289221 379130708 /nfs/dbraw/zinc/13/07/08/379130708.db2.gz JUYSCEJYSDIQAD-RYUDHWBXSA-N 1 2 287.363 2.148 40 0 biogenic,in-vitro CEABLO Cc1[nH+]c(N2CCc3ccccc3C2)ccc1CO ZINC000072224924 394594408 /nfs/dbraw/zinc/59/44/08/394594408.db2.gz XVBVAUKIWAMGCP-UHFFFAOYSA-N 1 2 254.333 2.445 40 0 CEABLO COC(=O)[C@]1([NH3+])C[C@@H]1c1c(OC)ccc2ccccc21 ZINC000096525919 394697546 /nfs/dbraw/zinc/69/75/46/394697546.db2.gz FQEDMJTWTARDIP-WBMJQRKESA-N 1 2 271.316 2.206 40 0 CEABLO CO[C@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccc(F)c(F)c1 ZINC000096041938 286069285 /nfs/dbraw/zinc/06/92/85/286069285.db2.gz POQSNJIZVSBNQD-SOUVJXGZSA-N 1 2 283.318 2.343 40 0 CEABLO CO[C@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccc(F)c(F)c1 ZINC000096041938 286069286 /nfs/dbraw/zinc/06/92/86/286069286.db2.gz POQSNJIZVSBNQD-SOUVJXGZSA-N 1 2 283.318 2.343 40 0 CEABLO Cc1ccc(Cc2cc([C@@H]3COCC[NH2+]3)nc(C)n2)cc1 ZINC000072366345 176380840 /nfs/dbraw/zinc/38/08/40/176380840.db2.gz MNHKSYCQAKJAES-KRWDZBQOSA-N 1 2 283.375 2.345 40 0 CEABLO CCc1nnc(Nc2cc([C@@H]3CCC[NH2+]3)nc(C)n2)s1 ZINC000072382169 176388009 /nfs/dbraw/zinc/38/80/09/176388009.db2.gz ICJPCPSUIMGMJK-VIFPVBQESA-N 1 2 290.396 2.367 40 0 CEABLO c1cc([C@H]2CC[N@@H+](CCOc3ccccc3)C2)[nH]n1 ZINC000072385396 176389967 /nfs/dbraw/zinc/38/99/67/176389967.db2.gz YCTYCXMVGCFEHI-ZDUSSCGKSA-N 1 2 257.337 2.278 40 0 CEABLO c1cc([C@H]2CC[N@H+](CCOc3ccccc3)C2)[nH]n1 ZINC000072385396 176389969 /nfs/dbraw/zinc/38/99/69/176389969.db2.gz YCTYCXMVGCFEHI-ZDUSSCGKSA-N 1 2 257.337 2.278 40 0 CEABLO CNc1ncccc1C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000072386193 176391747 /nfs/dbraw/zinc/39/17/47/176391747.db2.gz YSNOQJADAJMTBT-LBPRGKRZSA-N 1 2 271.368 2.226 40 0 CEABLO CNc1ncccc1C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000072386193 176391748 /nfs/dbraw/zinc/39/17/48/176391748.db2.gz YSNOQJADAJMTBT-LBPRGKRZSA-N 1 2 271.368 2.226 40 0 CEABLO Cc1cc(N)nc([C@@]2(C)CCCN2c2cccc[nH+]2)n1 ZINC000072388368 176393273 /nfs/dbraw/zinc/39/32/73/176393273.db2.gz KSLGCLAIXYORGV-OAHLLOKOSA-N 1 2 269.352 2.278 40 0 CEABLO CCCn1cc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cn1 ZINC000121227221 365538153 /nfs/dbraw/zinc/53/81/53/365538153.db2.gz IATGUWSQRPVGLW-CQSZACIVSA-N 1 2 273.384 2.396 40 0 CEABLO CCCn1cc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cn1 ZINC000121227221 365538155 /nfs/dbraw/zinc/53/81/55/365538155.db2.gz IATGUWSQRPVGLW-CQSZACIVSA-N 1 2 273.384 2.396 40 0 CEABLO CCn1ncc2c1[C@H](COC)C[N@H+](Cc1ccco1)C2 ZINC000096060131 185081051 /nfs/dbraw/zinc/08/10/51/185081051.db2.gz LWKXHVJIYHFHBR-ZDUSSCGKSA-N 1 2 275.352 2.242 40 0 CEABLO CCn1ncc2c1[C@H](COC)C[N@@H+](Cc1ccco1)C2 ZINC000096060131 185081052 /nfs/dbraw/zinc/08/10/52/185081052.db2.gz LWKXHVJIYHFHBR-ZDUSSCGKSA-N 1 2 275.352 2.242 40 0 CEABLO COC[C@H]1C[N@H+](Cc2ccc(F)cc2)Cc2nn(C)cc21 ZINC000096060362 185081069 /nfs/dbraw/zinc/08/10/69/185081069.db2.gz CMKABRMLSGSIGL-CYBMUJFWSA-N 1 2 289.354 2.305 40 0 CEABLO COC[C@H]1C[N@@H+](Cc2ccc(F)cc2)Cc2nn(C)cc21 ZINC000096060362 185081071 /nfs/dbraw/zinc/08/10/71/185081071.db2.gz CMKABRMLSGSIGL-CYBMUJFWSA-N 1 2 289.354 2.305 40 0 CEABLO Cc1ccc(C[C@H]2CC[N@H+](Cc3ncc[nH]3)C[C@H]2O)cc1 ZINC000585277744 345010089 /nfs/dbraw/zinc/01/00/89/345010089.db2.gz KXPVHLAVSXCLEX-HZPDHXFCSA-N 1 2 285.391 2.144 40 0 CEABLO Cc1ccc(C[C@H]2CC[N@@H+](Cc3ncc[nH]3)C[C@H]2O)cc1 ZINC000585277744 345010092 /nfs/dbraw/zinc/01/00/92/345010092.db2.gz KXPVHLAVSXCLEX-HZPDHXFCSA-N 1 2 285.391 2.144 40 0 CEABLO Cc1cc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)ccn1 ZINC000098175436 185697635 /nfs/dbraw/zinc/69/76/35/185697635.db2.gz CWJGQLXNMITNPL-UHFFFAOYSA-N 1 2 291.395 2.443 40 0 CEABLO CCNc1nc(Nc2cccc(OC)c2)cc(C2CC2)[nH+]1 ZINC000329042563 202164586 /nfs/dbraw/zinc/16/45/86/202164586.db2.gz SNVXDSRHBGVTPA-UHFFFAOYSA-N 1 2 284.363 2.382 40 0 CEABLO C[C@@H](Cc1cccs1)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC000019457237 361535222 /nfs/dbraw/zinc/53/52/22/361535222.db2.gz GDVOSUXTPHTZJS-QWRGUYRKSA-N 1 2 263.366 2.253 40 0 CEABLO C[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccc2c(c1)CCCO2 ZINC000019458908 361536189 /nfs/dbraw/zinc/53/61/89/361536189.db2.gz GFSMOLKEDINHBI-GFCCVEGCSA-N 1 2 285.347 2.086 40 0 CEABLO Cc1ccccc1O[C@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000020047458 361576323 /nfs/dbraw/zinc/57/63/23/361576323.db2.gz DYWWFOLXWJQDQJ-CQSZACIVSA-N 1 2 287.363 2.165 40 0 CEABLO CCOC(=O)C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000031938380 361722785 /nfs/dbraw/zinc/72/27/85/361722785.db2.gz CZJSSUOFLNZAOB-CQSZACIVSA-N 1 2 263.337 2.013 40 0 CEABLO COC[C@H]1Cn2ccnc2C[N@H+](Cc2ccsc2)C1 ZINC000096187741 364407684 /nfs/dbraw/zinc/40/76/84/364407684.db2.gz IDZWTLYBHXPJGB-CYBMUJFWSA-N 1 2 277.393 2.223 40 0 CEABLO COC[C@H]1Cn2ccnc2C[N@@H+](Cc2ccsc2)C1 ZINC000096187741 364407687 /nfs/dbraw/zinc/40/76/87/364407687.db2.gz IDZWTLYBHXPJGB-CYBMUJFWSA-N 1 2 277.393 2.223 40 0 CEABLO CCOC[C@H]1c2c([nH+]cn2C(C)C)CCN1C(=O)C1CC1 ZINC000096260296 364418631 /nfs/dbraw/zinc/41/86/31/364418631.db2.gz MGHSGFUFITYUBE-AWEZNQCLSA-N 1 2 291.395 2.336 40 0 CEABLO c1coc(CN2CCc3onc(Cn4cc[nH+]c4)c3C2)c1 ZINC000096259769 364418660 /nfs/dbraw/zinc/41/86/60/364418660.db2.gz IMAWFEAJRYDWKG-UHFFFAOYSA-N 1 2 284.319 2.071 40 0 CEABLO c1cc(C[NH+]2CC3(C2)OCC[C@@H]3COCC2CC2)ccn1 ZINC000247906721 371147414 /nfs/dbraw/zinc/14/74/14/371147414.db2.gz XKRVWWRNWWKKPC-MRXNPFEDSA-N 1 2 288.391 2.099 40 0 CEABLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000257238719 371609888 /nfs/dbraw/zinc/60/98/88/371609888.db2.gz HMGFZCDPEFXFPP-HNNXBMFYSA-N 1 2 281.359 2.480 40 0 CEABLO CNc1nccnc1C[C@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000257199910 371610120 /nfs/dbraw/zinc/61/01/20/371610120.db2.gz ABFTWCHCMLIAMM-CYBMUJFWSA-N 1 2 298.394 2.076 40 0 CEABLO CCn1nc(C)c(C[NH2+]Cc2ccn(C(F)F)n2)c1F ZINC000256054122 190004938 /nfs/dbraw/zinc/00/49/38/190004938.db2.gz UZSDEFZYMRQUTO-UHFFFAOYSA-N 1 2 287.289 2.232 40 0 CEABLO CCCn1cc(C[NH2+]Cc2ccn(CC)n2)c(C)n1 ZINC000256055062 190005537 /nfs/dbraw/zinc/00/55/37/190005537.db2.gz YYXGQURZNFUUFV-UHFFFAOYSA-N 1 2 261.373 2.108 40 0 CEABLO FCCn1ccc(C[NH2+]Cc2cccc(F)c2F)n1 ZINC000256054974 190005556 /nfs/dbraw/zinc/00/55/56/190005556.db2.gz YOWUNDGEJSJPMG-UHFFFAOYSA-N 1 2 269.270 2.421 40 0 CEABLO Cc1c[nH]c([C@@H]2C[N@H+](Cc3scnc3C)CCO2)n1 ZINC000257221546 190014323 /nfs/dbraw/zinc/01/43/23/190014323.db2.gz DPNNZRYRRAHTGZ-NSHDSACASA-N 1 2 278.381 2.057 40 0 CEABLO Cc1c[nH]c([C@@H]2C[N@@H+](Cc3scnc3C)CCO2)n1 ZINC000257221546 190014324 /nfs/dbraw/zinc/01/43/24/190014324.db2.gz DPNNZRYRRAHTGZ-NSHDSACASA-N 1 2 278.381 2.057 40 0 CEABLO CC(=O)N1CCN(Cc2[nH]c[nH+]c2C)[C@H](c2ccccc2)C1 ZINC000257222590 190015056 /nfs/dbraw/zinc/01/50/56/190015056.db2.gz DTXPKCGTCHVTCD-KRWDZBQOSA-N 1 2 298.390 2.124 40 0 CEABLO Cc1cc(CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)ccn1 ZINC000257267026 190023217 /nfs/dbraw/zinc/02/32/17/190023217.db2.gz MFRDMVWPVXQSAB-UHFFFAOYSA-N 1 2 298.390 2.068 40 0 CEABLO Cc1cn(C)c([C@H]2C[N@H+](Cc3scnc3C)CCO2)n1 ZINC000257264942 190023498 /nfs/dbraw/zinc/02/34/98/190023498.db2.gz LWPYBTOALFHREC-GFCCVEGCSA-N 1 2 292.408 2.067 40 0 CEABLO Cc1cn(C)c([C@H]2C[N@@H+](Cc3scnc3C)CCO2)n1 ZINC000257264942 190023499 /nfs/dbraw/zinc/02/34/99/190023499.db2.gz LWPYBTOALFHREC-GFCCVEGCSA-N 1 2 292.408 2.067 40 0 CEABLO COc1cccc(OC)c1C[N@@H+]1CC[C@H](c2ccn[nH]2)C1 ZINC000257283653 190026368 /nfs/dbraw/zinc/02/63/68/190026368.db2.gz OZFPERYVYYLLSH-LBPRGKRZSA-N 1 2 287.363 2.416 40 0 CEABLO COc1cccc(OC)c1C[N@H+]1CC[C@H](c2ccn[nH]2)C1 ZINC000257283653 190026369 /nfs/dbraw/zinc/02/63/69/190026369.db2.gz OZFPERYVYYLLSH-LBPRGKRZSA-N 1 2 287.363 2.416 40 0 CEABLO Cc1c[nH]c([C@H]2CCCN2S(=O)(=O)c2ccccc2)[nH+]1 ZINC000257288848 190027128 /nfs/dbraw/zinc/02/71/28/190027128.db2.gz PVYULXKGEYJVBI-CYBMUJFWSA-N 1 2 291.376 2.244 40 0 CEABLO CCC(=O)N1CC[C@@H](Cc2cccc(-c3c[nH+]cn3C)n2)C1 ZINC000257302372 190030520 /nfs/dbraw/zinc/03/05/20/190030520.db2.gz SCQFQCFTAAMPDG-ZDUSSCGKSA-N 1 2 298.390 2.283 40 0 CEABLO Cc1cn(C)c([C@H]2C[N@H+](Cc3ncccc3C)CCO2)n1 ZINC000257312678 190032285 /nfs/dbraw/zinc/03/22/85/190032285.db2.gz UPBSENXWGOFIPO-OAHLLOKOSA-N 1 2 286.379 2.005 40 0 CEABLO Cc1cn(C)c([C@H]2C[N@@H+](Cc3ncccc3C)CCO2)n1 ZINC000257312678 190032286 /nfs/dbraw/zinc/03/22/86/190032286.db2.gz UPBSENXWGOFIPO-OAHLLOKOSA-N 1 2 286.379 2.005 40 0 CEABLO O=S1(=O)c2ccccc2[C@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000306130036 376539584 /nfs/dbraw/zinc/53/95/84/376539584.db2.gz IUOWOULZVOIKGW-HIFRSBDPSA-N 1 2 289.356 2.035 40 0 CEABLO O=S1(=O)c2ccccc2[C@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000306130036 376539589 /nfs/dbraw/zinc/53/95/89/376539589.db2.gz IUOWOULZVOIKGW-HIFRSBDPSA-N 1 2 289.356 2.035 40 0 CEABLO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccsc1 ZINC000096252496 256834084 /nfs/dbraw/zinc/83/40/84/256834084.db2.gz DYQZCWYOHRPWGM-FUNVUKJBSA-N 1 2 253.367 2.126 40 0 CEABLO COC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccsc1 ZINC000096252496 256834086 /nfs/dbraw/zinc/83/40/86/256834086.db2.gz DYQZCWYOHRPWGM-FUNVUKJBSA-N 1 2 253.367 2.126 40 0 CEABLO O=C(NCCCn1cc[nH+]c1)c1cc(-c2ccccc2)on1 ZINC000006110608 170176698 /nfs/dbraw/zinc/17/66/98/170176698.db2.gz FLWZIODGHJAZJD-UHFFFAOYSA-N 1 2 296.330 2.358 40 0 CEABLO Cc1nc(Cc2ccc(F)cc2)cc([C@H]2COCC[NH2+]2)n1 ZINC000072366304 176380851 /nfs/dbraw/zinc/38/08/51/176380851.db2.gz GFVQZYMNFJLSDW-MRXNPFEDSA-N 1 2 287.338 2.176 40 0 CEABLO Nc1nc([C@H]2CCC[N@@H+]2Cc2ccncc2)cs1 ZINC000072367955 176382984 /nfs/dbraw/zinc/38/29/84/176382984.db2.gz ZPAHBHFLUQVQLC-GFCCVEGCSA-N 1 2 260.366 2.457 40 0 CEABLO Nc1nc([C@H]2CCC[N@H+]2Cc2ccncc2)cs1 ZINC000072367955 176382985 /nfs/dbraw/zinc/38/29/85/176382985.db2.gz ZPAHBHFLUQVQLC-GFCCVEGCSA-N 1 2 260.366 2.457 40 0 CEABLO CN(C)c1cc([C@H]2CCCN2c2ccncn2)cc[nH+]1 ZINC000072380960 176387055 /nfs/dbraw/zinc/38/70/55/176387055.db2.gz MQWRBMXHVFJSLG-CYBMUJFWSA-N 1 2 269.352 2.279 40 0 CEABLO c1cc([C@@H]2CC[N@@H+](CCOc3ccccc3)C2)[nH]n1 ZINC000072385397 176389713 /nfs/dbraw/zinc/38/97/13/176389713.db2.gz YCTYCXMVGCFEHI-CYBMUJFWSA-N 1 2 257.337 2.278 40 0 CEABLO c1cc([C@@H]2CC[N@H+](CCOc3ccccc3)C2)[nH]n1 ZINC000072385397 176389714 /nfs/dbraw/zinc/38/97/14/176389714.db2.gz YCTYCXMVGCFEHI-CYBMUJFWSA-N 1 2 257.337 2.278 40 0 CEABLO Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000072373674 279103913 /nfs/dbraw/zinc/10/39/13/279103913.db2.gz SXWOKHMUFLOAJM-UHFFFAOYSA-N 1 2 291.301 2.327 40 0 CEABLO Cc1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000072373674 279103914 /nfs/dbraw/zinc/10/39/14/279103914.db2.gz SXWOKHMUFLOAJM-UHFFFAOYSA-N 1 2 291.301 2.327 40 0 CEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)CC2CCCC2)[nH+]1 ZINC000257212185 301024122 /nfs/dbraw/zinc/02/41/22/301024122.db2.gz CCHGVRWZYROOMT-ZDUSSCGKSA-N 1 2 277.368 2.198 40 0 CEABLO [NH3+][C@H](c1nnc(-c2cccc(O)c2)[nH]1)c1ccccc1 ZINC000095533402 185006833 /nfs/dbraw/zinc/00/68/33/185006833.db2.gz WCQVGPWFRHPTPT-ZDUSSCGKSA-N 1 2 266.304 2.225 40 0 CEABLO [NH3+][C@H](c1n[nH]c(-c2cccc(O)c2)n1)c1ccccc1 ZINC000095533402 185006835 /nfs/dbraw/zinc/00/68/35/185006835.db2.gz WCQVGPWFRHPTPT-ZDUSSCGKSA-N 1 2 266.304 2.225 40 0 CEABLO CS(=O)(=O)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000034928578 361797929 /nfs/dbraw/zinc/79/79/29/361797929.db2.gz OJCROMWLYLEWNW-UHFFFAOYSA-N 1 2 254.355 2.048 40 0 CEABLO Clc1ccc(OC2C[NH+](Cc3ccccc3)C2)nn1 ZINC000409432264 344888786 /nfs/dbraw/zinc/88/87/86/344888786.db2.gz MZFFJHHMTRMHQF-UHFFFAOYSA-N 1 2 275.739 2.393 40 0 CEABLO CO[C@H]1CCOC2(C[NH+](Cc3ccc(F)cc3)C2)C1 ZINC000585104308 345006109 /nfs/dbraw/zinc/00/61/09/345006109.db2.gz HBXRWRHNENITLD-AWEZNQCLSA-N 1 2 265.328 2.206 40 0 CEABLO O=C(c1cncnc1)N1CCC[C@H]1c1cccc2[nH+]ccn21 ZINC000585178898 345009363 /nfs/dbraw/zinc/00/93/63/345009363.db2.gz IDQCHQDIBMDJGT-AWEZNQCLSA-N 1 2 293.330 2.102 40 0 CEABLO CCOC(=O)c1c[nH+]c2c(C)ccc(F)c2c1NCCO ZINC000064874855 362798315 /nfs/dbraw/zinc/79/83/15/362798315.db2.gz COKQDFHCLGIEHF-UHFFFAOYSA-N 1 2 292.310 2.263 40 0 CEABLO CNc1cc(-c2ccccc2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000329010801 202150524 /nfs/dbraw/zinc/15/05/24/202150524.db2.gz MBUYZJXXRQHDOE-AWEZNQCLSA-N 1 2 286.379 2.036 40 0 CEABLO CCc1ncc(C[N@H+](C)Cc2[nH]nc3c2CCCC3)cn1 ZINC000019523286 361541954 /nfs/dbraw/zinc/54/19/54/361541954.db2.gz BSYRFKGUEDLKEF-UHFFFAOYSA-N 1 2 285.395 2.273 40 0 CEABLO CCc1ncc(C[N@@H+](C)Cc2[nH]nc3c2CCCC3)cn1 ZINC000019523286 361541959 /nfs/dbraw/zinc/54/19/59/361541959.db2.gz BSYRFKGUEDLKEF-UHFFFAOYSA-N 1 2 285.395 2.273 40 0 CEABLO CCC[C@H](C(=O)OC)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000022538720 361588207 /nfs/dbraw/zinc/58/82/07/361588207.db2.gz ZPQYZQLDLCBXJO-OAHLLOKOSA-N 1 2 294.370 2.289 40 0 CEABLO Cc1ccc(S[C@@H](C)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000031852025 361721149 /nfs/dbraw/zinc/72/11/49/361721149.db2.gz UFDNCAZYLHSDJR-ZDUSSCGKSA-N 1 2 278.421 2.250 40 0 CEABLO COCCN1CC[N@H+](Cc2ccco2)Cc2cccnc21 ZINC000096198843 364408936 /nfs/dbraw/zinc/40/89/36/364408936.db2.gz NQWUAWDYPPUXFU-UHFFFAOYSA-N 1 2 287.363 2.143 40 0 CEABLO COCCN1CC[N@@H+](Cc2ccco2)Cc2cccnc21 ZINC000096198843 364408939 /nfs/dbraw/zinc/40/89/39/364408939.db2.gz NQWUAWDYPPUXFU-UHFFFAOYSA-N 1 2 287.363 2.143 40 0 CEABLO CCn1ccc(C[NH2+]Cc2cnn(CC(C)C)c2)n1 ZINC000256052865 190004200 /nfs/dbraw/zinc/00/42/00/190004200.db2.gz OZEPSRNRHDMFQQ-UHFFFAOYSA-N 1 2 261.373 2.045 40 0 CEABLO Cc1nc(N2C[C@@H]3[C@H](Oc4cccnc4)CC[C@@H]3C2)cc[nH+]1 ZINC000257232807 190017328 /nfs/dbraw/zinc/01/73/28/190017328.db2.gz GMMQHXPIPOBPAP-VNQPRFMTSA-N 1 2 296.374 2.474 40 0 CEABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)[nH+]1 ZINC000257261081 190022657 /nfs/dbraw/zinc/02/26/57/190022657.db2.gz LFQSEZUQQDUWIF-LBPRGKRZSA-N 1 2 299.330 2.424 40 0 CEABLO Cc1c[nH]c([C@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)[nH+]1 ZINC000257322327 190034287 /nfs/dbraw/zinc/03/42/87/190034287.db2.gz WFMXHMBIUPOYCV-ZDUSSCGKSA-N 1 2 287.338 2.416 40 0 CEABLO Cc1nc([C@H]2C[N@H+](Cc3cccs3)CCO2)cc(=O)[nH]1 ZINC000257326686 190034778 /nfs/dbraw/zinc/03/47/78/190034778.db2.gz WYEVPEOPWRACNP-CYBMUJFWSA-N 1 2 291.376 2.126 40 0 CEABLO Cc1nc([C@H]2C[N@@H+](Cc3cccs3)CCO2)cc(=O)[nH]1 ZINC000257326686 190034779 /nfs/dbraw/zinc/03/47/79/190034779.db2.gz WYEVPEOPWRACNP-CYBMUJFWSA-N 1 2 291.376 2.126 40 0 CEABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3cnc(C)nc3C)C2)[nH+]1 ZINC000257335737 190036171 /nfs/dbraw/zinc/03/61/71/190036171.db2.gz YLPNWHNGSFTKTL-ZDUSSCGKSA-N 1 2 299.378 2.145 40 0 CEABLO NC(=[NH2+])c1c(F)c(F)c(Br)c(F)c1F ZINC000002547111 295006677 /nfs/dbraw/zinc/00/66/77/295006677.db2.gz CGVORNTXDPKUQL-UHFFFAOYSA-N 1 2 271.011 2.290 40 0 CEABLO COC(=O)[C@@]1([NH3+])C[C@@H]1c1c(OC)ccc2ccccc21 ZINC000096525912 256730886 /nfs/dbraw/zinc/73/08/86/256730886.db2.gz FQEDMJTWTARDIP-MLGOLLRUSA-N 1 2 271.316 2.206 40 0 CEABLO O=C1NC(c2ccccc2)=NC(C[NH+]2CCCCC2)C1=O ZINC000004876967 170035032 /nfs/dbraw/zinc/03/50/32/170035032.db2.gz YSQMVAVBEMDJCD-UHFFFAOYSA-N 1 2 285.347 2.128 40 0 CEABLO O=c1[nH]c(-c2ccccc2)nc(C[NH+]2CCCCC2)c1O ZINC000004876967 170035036 /nfs/dbraw/zinc/03/50/36/170035036.db2.gz YSQMVAVBEMDJCD-UHFFFAOYSA-N 1 2 285.347 2.128 40 0 CEABLO COC[C@@H]1Cn2ccnc2C[N@H+](Cc2ccc(F)cc2)C1 ZINC000096059073 277255585 /nfs/dbraw/zinc/25/55/85/277255585.db2.gz DPQINHMCFUREST-AWEZNQCLSA-N 1 2 289.354 2.301 40 0 CEABLO COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2ccc(F)cc2)C1 ZINC000096059073 277255586 /nfs/dbraw/zinc/25/55/86/277255586.db2.gz DPQINHMCFUREST-AWEZNQCLSA-N 1 2 289.354 2.301 40 0 CEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2sccc2C)[nH+]1 ZINC000257240618 301024678 /nfs/dbraw/zinc/02/46/78/301024678.db2.gz HUIILFLAKUNGDQ-NSHDSACASA-N 1 2 291.376 2.302 40 0 CEABLO c1cncc(C[N@H+]2CCO[C@H]3[C@@H](OCC4CC4)CC[C@@H]32)c1 ZINC000096042066 185070999 /nfs/dbraw/zinc/07/09/99/185070999.db2.gz ZUJFEVZLZOJXPV-YESZJQIVSA-N 1 2 288.391 2.240 40 0 CEABLO c1cncc(C[N@@H+]2CCO[C@H]3[C@@H](OCC4CC4)CC[C@@H]32)c1 ZINC000096042066 185071001 /nfs/dbraw/zinc/07/10/01/185071001.db2.gz ZUJFEVZLZOJXPV-YESZJQIVSA-N 1 2 288.391 2.240 40 0 CEABLO Cc1nc(N2CCC[C@@](O)(COc3ccccc3)C2)cc[nH+]1 ZINC000585275087 345009894 /nfs/dbraw/zinc/00/98/94/345009894.db2.gz WBCLKMVQJJYTTC-KRWDZBQOSA-N 1 2 299.374 2.195 40 0 CEABLO c1c(NC2=NCCO2)cc2c3c1CCC[NH+]3CCC2 ZINC000001614912 361212778 /nfs/dbraw/zinc/21/27/78/361212778.db2.gz HCXNWVUPLARPPG-UHFFFAOYSA-N 1 2 257.337 2.184 40 0 CEABLO CC(C)(C)OC(=O)[C@H]([NH3+])Cc1nc(Cl)ccc1F ZINC000015684410 361477697 /nfs/dbraw/zinc/47/76/97/361477697.db2.gz WIDCHXKYKNWPCK-MRVPVSSYSA-N 1 2 274.723 2.086 40 0 CEABLO Cc1[nH]c2ccc(NC(=O)C[C@@H](C)n3cncn3)cc2[nH+]1 ZINC000019576745 361543156 /nfs/dbraw/zinc/54/31/56/361543156.db2.gz WBRQRRDSFOUXJJ-SECBINFHSA-N 1 2 284.323 2.053 40 0 CEABLO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+]1CCO[C@@H](C)C1 ZINC000025755710 361631735 /nfs/dbraw/zinc/63/17/35/361631735.db2.gz ZVDLOJVDZZCZDB-IHRRRGAJSA-N 1 2 288.391 2.073 40 0 CEABLO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+]1CCO[C@@H](C)C1 ZINC000025755710 361631737 /nfs/dbraw/zinc/63/17/37/361631737.db2.gz ZVDLOJVDZZCZDB-IHRRRGAJSA-N 1 2 288.391 2.073 40 0 CEABLO CCOC(=O)C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000031938382 361723122 /nfs/dbraw/zinc/72/31/22/361723122.db2.gz CZJSSUOFLNZAOB-AWEZNQCLSA-N 1 2 263.337 2.013 40 0 CEABLO CC(C)NC(=O)c1cc(N)ccc1[NH+]1CCCCC1 ZINC000225485536 370298319 /nfs/dbraw/zinc/29/83/19/370298319.db2.gz XWERPENIOPEWNO-UHFFFAOYSA-N 1 2 261.369 2.397 40 0 CEABLO Cc1cc(C[N@@H+]2CCC[C@H]2c2cncc(C)n2)no1 ZINC000257344315 371613673 /nfs/dbraw/zinc/61/36/73/371613673.db2.gz ZWPUDNBOYJRISZ-AWEZNQCLSA-N 1 2 258.325 2.419 40 0 CEABLO Cc1cc(C[N@H+]2CCC[C@H]2c2cncc(C)n2)no1 ZINC000257344315 371613676 /nfs/dbraw/zinc/61/36/76/371613676.db2.gz ZWPUDNBOYJRISZ-AWEZNQCLSA-N 1 2 258.325 2.419 40 0 CEABLO Cn1nc(C[NH2+]Cc2ccco2)cc1C(F)(F)F ZINC000256055231 190005706 /nfs/dbraw/zinc/00/57/06/190005706.db2.gz ZVFBDUQZPLSGOJ-UHFFFAOYSA-N 1 2 259.231 2.322 40 0 CEABLO Cc1ccc(C[N@@H+]2CCO[C@@H](c3cnccn3)C2)s1 ZINC000257229349 190016094 /nfs/dbraw/zinc/01/60/94/190016094.db2.gz FXTGXFCCAKGURB-CQSZACIVSA-N 1 2 275.377 2.420 40 0 CEABLO Cc1ccc(C[N@H+]2CCO[C@@H](c3cnccn3)C2)s1 ZINC000257229349 190016095 /nfs/dbraw/zinc/01/60/95/190016095.db2.gz FXTGXFCCAKGURB-CQSZACIVSA-N 1 2 275.377 2.420 40 0 CEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)Cc2ccccc2C)[nH+]1 ZINC000257254342 190020482 /nfs/dbraw/zinc/02/04/82/190020482.db2.gz KCRHSIDYKHGKDA-HNNXBMFYSA-N 1 2 299.374 2.169 40 0 CEABLO CCCCc1[nH]c(CN2CCOC[C@@H]2c2cc[nH]n2)c[nH+]1 ZINC000257270681 190024216 /nfs/dbraw/zinc/02/42/16/190024216.db2.gz MVFRWHLPOBIVGA-CQSZACIVSA-N 1 2 289.383 2.049 40 0 CEABLO CCCCc1[nH]cc(CN2CCOC[C@@H]2c2cc[nH]n2)[nH+]1 ZINC000257270681 190024217 /nfs/dbraw/zinc/02/42/17/190024217.db2.gz MVFRWHLPOBIVGA-CQSZACIVSA-N 1 2 289.383 2.049 40 0 CEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3sc(C)nc3C)C2)[nH+]1 ZINC000257263673 190022306 /nfs/dbraw/zinc/02/23/06/190022306.db2.gz LQZPXPYNJPCNTN-LLVKDONJSA-N 1 2 290.392 2.421 40 0 CEABLO CCC(=O)N1CCC[C@@H](c2cccc3[nH+]ccn32)C1 ZINC000257282635 190026025 /nfs/dbraw/zinc/02/60/25/190026025.db2.gz OUPBHAQYKGWSKB-GFCCVEGCSA-N 1 2 257.337 2.450 40 0 CEABLO CCC(=O)N1CCC[C@H](c2cccc3[nH+]ccn32)C1 ZINC000257282636 190026305 /nfs/dbraw/zinc/02/63/05/190026305.db2.gz OUPBHAQYKGWSKB-LBPRGKRZSA-N 1 2 257.337 2.450 40 0 CEABLO Cc1c[nH]c([C@H]2CCC[N@@H+]2Cc2ccnc(C)n2)n1 ZINC000257294356 190028136 /nfs/dbraw/zinc/02/81/36/190028136.db2.gz QTSSATXXFQMTMN-CYBMUJFWSA-N 1 2 257.341 2.154 40 0 CEABLO Cc1c[nH]c([C@H]2CCC[N@H+]2Cc2ccnc(C)n2)n1 ZINC000257294356 190028137 /nfs/dbraw/zinc/02/81/37/190028137.db2.gz QTSSATXXFQMTMN-CYBMUJFWSA-N 1 2 257.341 2.154 40 0 CEABLO Cc1c[nH]c([C@H]2CCCN2Cc2ccnc(C)n2)[nH+]1 ZINC000257294356 190028138 /nfs/dbraw/zinc/02/81/38/190028138.db2.gz QTSSATXXFQMTMN-CYBMUJFWSA-N 1 2 257.341 2.154 40 0 CEABLO CNc1cc([C@H]2CCCN2C(=O)c2cnc(C)cn2)cc[nH+]1 ZINC000257294465 190028236 /nfs/dbraw/zinc/02/82/36/190028236.db2.gz QUHSKNPJVBZQOU-CQSZACIVSA-N 1 2 297.362 2.199 40 0 CEABLO Cc1nc([C@@H]2C[N@H+](Cc3ccsc3)CCO2)cc(=O)[nH]1 ZINC000257307390 190031298 /nfs/dbraw/zinc/03/12/98/190031298.db2.gz SYLALVAAHDICMU-ZDUSSCGKSA-N 1 2 291.376 2.126 40 0 CEABLO Cc1nc([C@@H]2C[N@@H+](Cc3ccsc3)CCO2)cc(=O)[nH]1 ZINC000257307390 190031299 /nfs/dbraw/zinc/03/12/99/190031299.db2.gz SYLALVAAHDICMU-ZDUSSCGKSA-N 1 2 291.376 2.126 40 0 CEABLO Cc1nc[nH]c1C[N@@H+]1CCC[C@@H]1c1cncc(C)n1 ZINC000257311352 190032246 /nfs/dbraw/zinc/03/22/46/190032246.db2.gz UJAPVLDPFMITPC-CQSZACIVSA-N 1 2 257.341 2.154 40 0 CEABLO Cc1nc[nH]c1C[N@H+]1CCC[C@@H]1c1cncc(C)n1 ZINC000257311352 190032247 /nfs/dbraw/zinc/03/22/47/190032247.db2.gz UJAPVLDPFMITPC-CQSZACIVSA-N 1 2 257.341 2.154 40 0 CEABLO [NH3+][C@H](c1nc(CNc2ccccc2)n[nH]1)c1ccccc1 ZINC000095533414 394672915 /nfs/dbraw/zinc/67/29/15/394672915.db2.gz BLMBHCNYOSZUDB-HNNXBMFYSA-N 1 2 279.347 2.465 40 0 CEABLO [NH3+][C@H](c1nnc(CNc2ccccc2)[nH]1)c1ccccc1 ZINC000095533414 394672917 /nfs/dbraw/zinc/67/29/17/394672917.db2.gz BLMBHCNYOSZUDB-HNNXBMFYSA-N 1 2 279.347 2.465 40 0 CEABLO [NH3+][C@H](c1n[nH]c(CNc2ccccc2)n1)c1ccccc1 ZINC000095533414 394672922 /nfs/dbraw/zinc/67/29/22/394672922.db2.gz BLMBHCNYOSZUDB-HNNXBMFYSA-N 1 2 279.347 2.465 40 0 CEABLO [NH3+][C@@H](c1nc(CNc2ccccc2)n[nH]1)c1ccccc1 ZINC000095533415 394673109 /nfs/dbraw/zinc/67/31/09/394673109.db2.gz BLMBHCNYOSZUDB-OAHLLOKOSA-N 1 2 279.347 2.465 40 0 CEABLO [NH3+][C@@H](c1nnc(CNc2ccccc2)[nH]1)c1ccccc1 ZINC000095533415 394673116 /nfs/dbraw/zinc/67/31/16/394673116.db2.gz BLMBHCNYOSZUDB-OAHLLOKOSA-N 1 2 279.347 2.465 40 0 CEABLO [NH3+][C@@H](c1n[nH]c(CNc2ccccc2)n1)c1ccccc1 ZINC000095533415 394673122 /nfs/dbraw/zinc/67/31/22/394673122.db2.gz BLMBHCNYOSZUDB-OAHLLOKOSA-N 1 2 279.347 2.465 40 0 CEABLO Cc1cc(Nc2nncs2)nc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072359949 176377212 /nfs/dbraw/zinc/37/72/12/176377212.db2.gz ARDVAMPOAUUJNF-SNVBAGLBSA-N 1 2 290.396 2.189 40 0 CEABLO Cc1cc(Nc2nncs2)nc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072359949 176377213 /nfs/dbraw/zinc/37/72/13/176377213.db2.gz ARDVAMPOAUUJNF-SNVBAGLBSA-N 1 2 290.396 2.189 40 0 CEABLO COc1cccc([C@@H]([NH3+])c2nnc(-c3ccc(O)cc3)[nH]2)c1 ZINC000095533533 185006008 /nfs/dbraw/zinc/00/60/08/185006008.db2.gz NVNHIOCRCTYVQR-CQSZACIVSA-N 1 2 296.330 2.234 40 0 CEABLO COc1cccc([C@@H]([NH3+])c2nc(-c3ccc(O)cc3)n[nH]2)c1 ZINC000095533533 185006010 /nfs/dbraw/zinc/00/60/10/185006010.db2.gz NVNHIOCRCTYVQR-CQSZACIVSA-N 1 2 296.330 2.234 40 0 CEABLO CCn1cc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cn1 ZINC000121191843 365534070 /nfs/dbraw/zinc/53/40/70/365534070.db2.gz PXDLOQHUFQZOAH-ZDUSSCGKSA-N 1 2 259.357 2.006 40 0 CEABLO CCn1cc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cn1 ZINC000121191843 365534073 /nfs/dbraw/zinc/53/40/73/365534073.db2.gz PXDLOQHUFQZOAH-ZDUSSCGKSA-N 1 2 259.357 2.006 40 0 CEABLO CCCC(=O)N1Cc2[nH+]cn(CC3CC3)c2[C@@H](COC)C1 ZINC000096045105 185072058 /nfs/dbraw/zinc/07/20/58/185072058.db2.gz VFEMMFAPOCGHFX-CYBMUJFWSA-N 1 2 291.395 2.165 40 0 CEABLO CC(C)[N@@H+]1CCc2oc(C(=O)N3CCC[C@@H](C)C3)nc2C1 ZINC000585111608 345005814 /nfs/dbraw/zinc/00/58/14/345005814.db2.gz DKPZPFKISDDWOW-GFCCVEGCSA-N 1 2 291.395 2.313 40 0 CEABLO CC(C)[N@H+]1CCc2oc(C(=O)N3CCC[C@@H](C)C3)nc2C1 ZINC000585111608 345005817 /nfs/dbraw/zinc/00/58/17/345005817.db2.gz DKPZPFKISDDWOW-GFCCVEGCSA-N 1 2 291.395 2.313 40 0 CEABLO CO[C@H]1CCOC2(C[NH+](Cc3ccsc3)C2)C1 ZINC000585105275 345006070 /nfs/dbraw/zinc/00/60/70/345006070.db2.gz RWLIPJAAHMAJOI-LBPRGKRZSA-N 1 2 253.367 2.128 40 0 CEABLO CN(C)C(=O)N1CC[C@]2(C1)CCCN(c1cccc[nH+]1)C2 ZINC000096216804 136519744 /nfs/dbraw/zinc/51/97/44/136519744.db2.gz YJHLRBUSHBRSPH-MRXNPFEDSA-N 1 2 288.395 2.056 40 0 CEABLO Nc1nc(N)c(-c2ccc(Cl)cc2Cl)n[nH+]1 ZINC000065739622 362845603 /nfs/dbraw/zinc/84/56/03/362845603.db2.gz HHXRWOXSGOMXJV-UHFFFAOYSA-N 1 2 256.096 2.010 40 0 in-vitro CEABLO CNc1cc([C@H]2CCCN(c3cnccn3)C2)[nH+]c(C)n1 ZINC000072363827 363131556 /nfs/dbraw/zinc/13/15/56/363131556.db2.gz ZDQZIXFYIDEWBE-LBPRGKRZSA-N 1 2 284.367 2.001 40 0 CEABLO CNc1nc(NCc2cccs2)cc(-c2cccnc2)[nH+]1 ZINC000328981796 202139519 /nfs/dbraw/zinc/13/95/19/202139519.db2.gz GWORNSJRZCYPQU-UHFFFAOYSA-N 1 2 297.387 2.098 40 0 CEABLO Cc1ccccc1Nc1cc(C2CC2)[nH+]c(N[C@@H](C)CO)n1 ZINC000329029220 202160115 /nfs/dbraw/zinc/16/01/15/202160115.db2.gz PYDYZZYYAJNIMQ-LBPRGKRZSA-N 1 2 298.390 2.043 40 0 CEABLO CCOC(=[NH2+])Cc1cc(OC)c(OC)c(OC)c1 ZINC000016980072 361501521 /nfs/dbraw/zinc/50/15/21/361501521.db2.gz ZTQTTWLKXDKCSM-UHFFFAOYSA-N 1 2 253.298 2.269 40 0 CEABLO Cc1ccsc1C[N@@H+](Cc1nccn1C)C[C@H](C)O ZINC000019238605 361522497 /nfs/dbraw/zinc/52/24/97/361522497.db2.gz OWRQREZSBKXBPT-LBPRGKRZSA-N 1 2 279.409 2.173 40 0 CEABLO Cc1ccsc1C[N@H+](Cc1nccn1C)C[C@H](C)O ZINC000019238605 361522498 /nfs/dbraw/zinc/52/24/98/361522498.db2.gz OWRQREZSBKXBPT-LBPRGKRZSA-N 1 2 279.409 2.173 40 0 CEABLO CC(=O)c1sc(NC(=O)C[NH+]2CCCCCC2)nc1C ZINC000016740511 361497029 /nfs/dbraw/zinc/49/70/29/361497029.db2.gz SVMIWZFXSLQPLT-UHFFFAOYSA-N 1 2 295.408 2.469 40 0 CEABLO COC(=O)c1ccc(-n2cc[nH+]c2)c(-n2cccc2)c1 ZINC000019592522 361545368 /nfs/dbraw/zinc/54/53/68/361545368.db2.gz VMIDVIOBTKMHKG-UHFFFAOYSA-N 1 2 267.288 2.450 40 0 CEABLO C[NH+](C)Cc1noc2c1CN(Cc1ccsc1)CC2 ZINC000096259721 364418260 /nfs/dbraw/zinc/41/82/60/364418260.db2.gz PXIPVHUOYDZIFW-UHFFFAOYSA-N 1 2 277.393 2.356 40 0 CEABLO COC(=O)[C@@]1([NH3+])CC1(c1ccccc1)c1ccccc1 ZINC000215942617 370182643 /nfs/dbraw/zinc/18/26/43/370182643.db2.gz LRGZAIAPYNJCEW-KRWDZBQOSA-N 1 2 267.328 2.247 40 0 CEABLO CCO[C@H]1CCOC2(C[NH+](Cc3cccc(OC)c3)C2)C1 ZINC000247894682 371145195 /nfs/dbraw/zinc/14/51/95/371145195.db2.gz OBOXTZVORTWDRF-INIZCTEOSA-N 1 2 291.391 2.465 40 0 CEABLO COC[C@@H]1CN(Cc2ccsc2)Cc2c[nH+]cn21 ZINC000247916016 371146387 /nfs/dbraw/zinc/14/63/87/371146387.db2.gz ZMMHOOQWMGCKBH-ZDUSSCGKSA-N 1 2 263.366 2.148 40 0 CEABLO CCCn1cc(C[NH2+]Cc2ccn(C(F)F)n2)cn1 ZINC000256049588 190002331 /nfs/dbraw/zinc/00/23/31/190002331.db2.gz AOLXZKUIUIHFHJ-UHFFFAOYSA-N 1 2 269.299 2.175 40 0 CEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)CC2CCCC2)[nH+]1 ZINC000257212184 190012848 /nfs/dbraw/zinc/01/28/48/190012848.db2.gz CCHGVRWZYROOMT-CYBMUJFWSA-N 1 2 277.368 2.198 40 0 CEABLO c1cc2nc([C@@H]3CCCC[N@H+]3Cc3cc[nH]n3)ccn2n1 ZINC000257243624 190018914 /nfs/dbraw/zinc/01/89/14/190018914.db2.gz IHVDPKQSNDSJND-AWEZNQCLSA-N 1 2 282.351 2.180 40 0 CEABLO c1cc2nc([C@@H]3CCCC[N@@H+]3Cc3cc[nH]n3)ccn2n1 ZINC000257243624 190018915 /nfs/dbraw/zinc/01/89/15/190018915.db2.gz IHVDPKQSNDSJND-AWEZNQCLSA-N 1 2 282.351 2.180 40 0 CEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)Cc2ccccc2C)[nH+]1 ZINC000257254343 190020464 /nfs/dbraw/zinc/02/04/64/190020464.db2.gz KCRHSIDYKHGKDA-OAHLLOKOSA-N 1 2 299.374 2.169 40 0 CEABLO Cc1c[nH]c([C@H]2CN(Cc3[nH+]ccn3C(C)C)CCO2)n1 ZINC000257267081 190023073 /nfs/dbraw/zinc/02/30/73/190023073.db2.gz MFXIJFIJUTWMIE-CYBMUJFWSA-N 1 2 289.383 2.069 40 0 CEABLO Cc1cc(=O)[nH]c([C@@]2(C)CCC[N@@H+]2Cc2cccnc2)n1 ZINC000257319312 190033291 /nfs/dbraw/zinc/03/32/91/190033291.db2.gz VRUZEGRUDGTFKF-MRXNPFEDSA-N 1 2 284.363 2.397 40 0 CEABLO Cc1cc(=O)[nH]c([C@@]2(C)CCC[N@H+]2Cc2cccnc2)n1 ZINC000257319312 190033292 /nfs/dbraw/zinc/03/32/92/190033292.db2.gz VRUZEGRUDGTFKF-MRXNPFEDSA-N 1 2 284.363 2.397 40 0 CEABLO Cc1cc(C2CC[NH+](Cc3c[nH]cn3)CC2)nc2ccnn21 ZINC000257324931 190034014 /nfs/dbraw/zinc/03/40/14/190034014.db2.gz WQUGNYZWDKXSPR-UHFFFAOYSA-N 1 2 296.378 2.140 40 0 CEABLO Cc1cc(C2CC[NH+](Cc3cnc[nH]3)CC2)nc2ccnn21 ZINC000257324931 190034015 /nfs/dbraw/zinc/03/40/15/190034015.db2.gz WQUGNYZWDKXSPR-UHFFFAOYSA-N 1 2 296.378 2.140 40 0 CEABLO Cn1nccc1C[N@@H+]1CCCC[C@@H]1c1ccn2nccc2n1 ZINC000257324293 190034018 /nfs/dbraw/zinc/03/40/18/190034018.db2.gz WOAHQODIUGWKSU-OAHLLOKOSA-N 1 2 296.378 2.190 40 0 CEABLO Cn1nccc1C[N@H+]1CCCC[C@@H]1c1ccn2nccc2n1 ZINC000257324293 190034019 /nfs/dbraw/zinc/03/40/19/190034019.db2.gz WOAHQODIUGWKSU-OAHLLOKOSA-N 1 2 296.378 2.190 40 0 CEABLO Cc1cc(C)nc(Nc2cncc(C3CC[NH2+]CC3)n2)n1 ZINC000257326269 190034235 /nfs/dbraw/zinc/03/42/35/190034235.db2.gz WWOAPZQOIJBNJO-UHFFFAOYSA-N 1 2 284.367 2.094 40 0 CEABLO Cc1cccnc1Nc1cncc(CC2CC[NH2+]CC2)n1 ZINC000257324359 190034462 /nfs/dbraw/zinc/03/44/62/190034462.db2.gz WOIRGDZSGOIERV-UHFFFAOYSA-N 1 2 283.379 2.466 40 0 CEABLO Cc1c[nH]c([C@H]2CCN(C(=O)Cc3cccc(F)c3)C2)[nH+]1 ZINC000257339138 190037409 /nfs/dbraw/zinc/03/74/09/190037409.db2.gz ZAIQJFTXJYBKTP-ZDUSSCGKSA-N 1 2 287.338 2.416 40 0 CEABLO CC(C)(C)OC(=O)N1CCC[C@H]1COc1cc[nH+]cc1N ZINC000242495491 394495809 /nfs/dbraw/zinc/49/58/09/394495809.db2.gz GFKOIALCWVPSTG-NSHDSACASA-N 1 2 293.367 2.442 40 0 CEABLO Cc1cc([C@H]2CCCN2C=O)c[nH+]c1N1CCCC1 ZINC000072218788 394593175 /nfs/dbraw/zinc/59/31/75/394593175.db2.gz OADDNDSYKOUCMS-CQSZACIVSA-N 1 2 259.353 2.284 40 0 CEABLO Cc1ccc2c([nH+]1)N(C)CCN(Cc1nccs1)C2 ZINC000105116674 292377405 /nfs/dbraw/zinc/37/74/05/292377405.db2.gz NPWIGYBGDJFBGS-UHFFFAOYSA-N 1 2 274.393 2.299 40 0 CEABLO Fc1ccc(Nc2nc3nonc3nc2-n2cc[nH+]c2)cc1 ZINC000005530960 170109230 /nfs/dbraw/zinc/10/92/30/170109230.db2.gz NRTHQTFUVZCUSB-UHFFFAOYSA-N 1 2 297.253 2.081 40 0 CEABLO O=C(NCc1ccncc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038850050 174158229 /nfs/dbraw/zinc/15/82/29/174158229.db2.gz XQDDIYPBALSYLJ-UHFFFAOYSA-N 1 2 292.342 2.256 40 0 CEABLO CCc1cc(Cl)c(OC)c(C(=O)N2CC[NH+](C)CC2)c1 ZINC000072206595 176342405 /nfs/dbraw/zinc/34/24/05/176342405.db2.gz RVNWZFGYTNMJEF-UHFFFAOYSA-N 1 2 296.798 2.299 40 0 CEABLO Cc1cncc([C@@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000072385503 176389735 /nfs/dbraw/zinc/38/97/35/176389735.db2.gz VBWMTPCAULTIAL-ZDUSSCGKSA-N 1 2 255.325 2.225 40 0 CEABLO Cc1ccnc([C@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000072385558 176390371 /nfs/dbraw/zinc/39/03/71/176390371.db2.gz KIIRDSIJHIDFRN-GFCCVEGCSA-N 1 2 255.325 2.225 40 0 CEABLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000044605635 277188133 /nfs/dbraw/zinc/18/81/33/277188133.db2.gz VBSVOQDOXQGNFV-UHFFFAOYSA-N 1 2 277.368 2.134 40 0 CEABLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000040161213 298187385 /nfs/dbraw/zinc/18/73/85/298187385.db2.gz WOFFVVZZCUXLEF-QMIVOQANSA-N 1 2 282.428 2.179 40 0 CEABLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000040161213 298187387 /nfs/dbraw/zinc/18/73/87/298187387.db2.gz WOFFVVZZCUXLEF-QMIVOQANSA-N 1 2 282.428 2.179 40 0 CEABLO CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CC[NH+](C)CC1 ZINC000044949079 362156570 /nfs/dbraw/zinc/15/65/70/362156570.db2.gz NSOHYKQAFWNRNL-OAHLLOKOSA-N 1 2 290.407 2.235 40 0 CEABLO Fc1ccc(C2=NO[C@H]3C[N@H+](Cc4ccccn4)C[C@H]23)cc1 ZINC000019401490 343374626 /nfs/dbraw/zinc/37/46/26/343374626.db2.gz NTTUQKFXZGPUIY-HOTGVXAUSA-N 1 2 297.333 2.456 40 0 CEABLO Fc1ccc(C2=NO[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]23)cc1 ZINC000019401490 343374630 /nfs/dbraw/zinc/37/46/30/343374630.db2.gz NTTUQKFXZGPUIY-HOTGVXAUSA-N 1 2 297.333 2.456 40 0 CEABLO CCCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000049369602 362356795 /nfs/dbraw/zinc/35/67/95/362356795.db2.gz FFINDYMWDQWQIE-UHFFFAOYSA-N 1 2 258.325 2.082 40 0 CEABLO Cc1nc([C@@H]2COCC[NH2+]2)cc(N2CCCC(C)(C)C2)n1 ZINC000072366200 363131543 /nfs/dbraw/zinc/13/15/43/363131543.db2.gz LCRPERMPWZAHBL-AWEZNQCLSA-N 1 2 290.411 2.072 40 0 CEABLO S=C(S[NH2+]C1CCCCC1)N1CCOCC1 ZINC000000027635 361117843 /nfs/dbraw/zinc/11/78/43/361117843.db2.gz SWCRBARVWYHWSW-UHFFFAOYSA-N 1 2 260.428 2.174 40 0 CEABLO O=C1CCC2(CCN(c3cccc[nH+]3)CC2)N1CC1CC1 ZINC000096228107 364414457 /nfs/dbraw/zinc/41/44/57/364414457.db2.gz YAOVUBXMWWFAQW-UHFFFAOYSA-N 1 2 285.391 2.453 40 0 CEABLO FC(F)Cn1cc(C[NH2+]Cc2ccn(C(F)F)n2)cn1 ZINC000256053616 190004792 /nfs/dbraw/zinc/00/47/92/190004792.db2.gz SCZHUQXIUCZSFE-UHFFFAOYSA-N 1 2 291.252 2.030 40 0 CEABLO CCCn1ccc(C[NH2+]Cc2cnn(CCC)c2)n1 ZINC000256050032 190002944 /nfs/dbraw/zinc/00/29/44/190002944.db2.gz CKDPHXGHVHBEGZ-UHFFFAOYSA-N 1 2 261.373 2.189 40 0 CEABLO CC(C)Cn1nccc1C[NH2+]Cc1ccn(C(F)F)n1 ZINC000256052085 190004452 /nfs/dbraw/zinc/00/44/52/190004452.db2.gz LWKXRZDHUASWEA-UHFFFAOYSA-N 1 2 283.326 2.421 40 0 CEABLO CCCn1ccc(C[NH2+]Cc2ccnn2CC(C)C)n1 ZINC000256053720 190004641 /nfs/dbraw/zinc/00/46/41/190004641.db2.gz SOPBBZPCVQJENJ-UHFFFAOYSA-N 1 2 275.400 2.435 40 0 CEABLO O=C(c1cnccn1)N1CCC[C@H]1c1cccc2[nH+]ccn21 ZINC000257244683 190019223 /nfs/dbraw/zinc/01/92/23/190019223.db2.gz IMJAZBRJURREPQ-AWEZNQCLSA-N 1 2 293.330 2.102 40 0 CEABLO CNc1ncccc1C[N@@H+]1CCC[C@H]1c1nc(C)c[nH]1 ZINC000257245966 190019509 /nfs/dbraw/zinc/01/95/09/190019509.db2.gz IRWVLSLVKUHYLI-ZDUSSCGKSA-N 1 2 271.368 2.492 40 0 CEABLO CNc1ncccc1C[N@H+]1CCC[C@H]1c1nc(C)c[nH]1 ZINC000257245966 190019510 /nfs/dbraw/zinc/01/95/10/190019510.db2.gz IRWVLSLVKUHYLI-ZDUSSCGKSA-N 1 2 271.368 2.492 40 0 CEABLO Cc1cc(CC2CCN(C(=O)c3ccnn3C)CC2)cc[nH+]1 ZINC000257249687 190020364 /nfs/dbraw/zinc/02/03/64/190020364.db2.gz JJIZYHUXJXTCJP-UHFFFAOYSA-N 1 2 298.390 2.218 40 0 CEABLO C[N@@H+]1CCN(C(=O)c2cscn2)C[C@H]1c1ccccc1 ZINC000257261547 190022177 /nfs/dbraw/zinc/02/21/77/190022177.db2.gz LHUIWHFSYLWNCX-AWEZNQCLSA-N 1 2 287.388 2.272 40 0 CEABLO C[N@H+]1CCN(C(=O)c2cscn2)C[C@H]1c1ccccc1 ZINC000257261547 190022178 /nfs/dbraw/zinc/02/21/78/190022178.db2.gz LHUIWHFSYLWNCX-AWEZNQCLSA-N 1 2 287.388 2.272 40 0 CEABLO Cn1cncc1C[N@@H+]1CCCC[C@@H]1c1ccn2nccc2n1 ZINC000257288009 190026674 /nfs/dbraw/zinc/02/66/74/190026674.db2.gz PSJSIBRQSVBUSE-OAHLLOKOSA-N 1 2 296.378 2.190 40 0 CEABLO Cn1cncc1C[N@H+]1CCCC[C@@H]1c1ccn2nccc2n1 ZINC000257288009 190026675 /nfs/dbraw/zinc/02/66/75/190026675.db2.gz PSJSIBRQSVBUSE-OAHLLOKOSA-N 1 2 296.378 2.190 40 0 CEABLO Cc1nccc(C[N@H+]2CCN(C)[C@@H](c3ccccc3)C2)n1 ZINC000257284916 190027013 /nfs/dbraw/zinc/02/70/13/190027013.db2.gz PEVKAHAWXKZGSN-QGZVFWFLSA-N 1 2 282.391 2.274 40 0 CEABLO Cc1nccc(C[N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)n1 ZINC000257284916 190027014 /nfs/dbraw/zinc/02/70/14/190027014.db2.gz PEVKAHAWXKZGSN-QGZVFWFLSA-N 1 2 282.391 2.274 40 0 CEABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cncs3)C2)[nH+]1 ZINC000257324965 190033928 /nfs/dbraw/zinc/03/39/28/190033928.db2.gz WQYBMDGVFHTPIY-SNVBAGLBSA-N 1 2 276.365 2.194 40 0 CEABLO CC(C)n1cc(-c2nccnc2C2CC[NH2+]CC2)cn1 ZINC000257325729 190034248 /nfs/dbraw/zinc/03/42/48/190034248.db2.gz WUEFCBYKKUTWIA-UHFFFAOYSA-N 1 2 271.368 2.388 40 0 CEABLO Cc1c[nH]c([C@H]2CC[N@H+](Cc3ccc(C)nc3)C2)n1 ZINC000257326173 190034329 /nfs/dbraw/zinc/03/43/29/190034329.db2.gz WWCWWMDUJRFCHV-AWEZNQCLSA-N 1 2 256.353 2.411 40 0 CEABLO Cc1c[nH]c([C@H]2CC[N@@H+](Cc3ccc(C)nc3)C2)n1 ZINC000257326173 190034330 /nfs/dbraw/zinc/03/43/30/190034330.db2.gz WWCWWMDUJRFCHV-AWEZNQCLSA-N 1 2 256.353 2.411 40 0 CEABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cscn2)[nH+]1 ZINC000257329230 190034887 /nfs/dbraw/zinc/03/48/87/190034887.db2.gz XJAGZMADCVLOOW-JTQLQIEISA-N 1 2 262.338 2.152 40 0 CEABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2ccnn2C(C)C)[nH+]1 ZINC000257335512 190036211 /nfs/dbraw/zinc/03/62/11/190036211.db2.gz YKMJCARLJHCXCV-GFCCVEGCSA-N 1 2 287.367 2.473 40 0 CEABLO CC(=O)N1CCC(c2cccc(-c3c[nH+]cn3C)n2)CC1 ZINC000257336095 190036556 /nfs/dbraw/zinc/03/65/56/190036556.db2.gz YNDHYYQOSBNUSZ-UHFFFAOYSA-N 1 2 284.363 2.208 40 0 CEABLO CCCc1cc(C(=O)N2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)no1 ZINC000257341890 190036959 /nfs/dbraw/zinc/03/69/59/190036959.db2.gz ZMIGEUUYZDFESA-LLVKDONJSA-N 1 2 288.351 2.288 40 0 CEABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3cnc(C(C)C)nc3)C2)[nH+]1 ZINC000257341589 190036971 /nfs/dbraw/zinc/03/69/71/190036971.db2.gz ZKZBGNIVIGKUNI-LBPRGKRZSA-N 1 2 299.378 2.261 40 0 CEABLO CCN(CC)c1[nH+]c(SC)nc(N2CCCC2)c1C=O ZINC000217691044 394455431 /nfs/dbraw/zinc/45/54/31/394455431.db2.gz QTGKTGAXTGUCFA-UHFFFAOYSA-N 1 2 294.424 2.457 40 0 CEABLO CCN(CC)c1nc(SC)[nH+]c(N2CCCC2)c1C=O ZINC000217691044 394455434 /nfs/dbraw/zinc/45/54/34/394455434.db2.gz QTGKTGAXTGUCFA-UHFFFAOYSA-N 1 2 294.424 2.457 40 0 CEABLO Cc1[nH+]c(N)ccc1C(=O)CCCNC(=O)OC(C)(C)C ZINC000072218544 394593644 /nfs/dbraw/zinc/59/36/44/394593644.db2.gz SOBKFXMBPBZQAC-UHFFFAOYSA-N 1 2 293.367 2.460 40 0 CEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)[nH+]1 ZINC000257322326 394595558 /nfs/dbraw/zinc/59/55/58/394595558.db2.gz WFMXHMBIUPOYCV-CYBMUJFWSA-N 1 2 287.338 2.416 40 0 CEABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cccn3C)C2)[nH+]1 ZINC000257340386 279000256 /nfs/dbraw/zinc/00/02/56/279000256.db2.gz ZFUPFMRHQZXANH-ZDUSSCGKSA-N 1 2 286.379 2.087 40 0 CEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccc(C)s2)[nH+]1 ZINC000257254873 301025361 /nfs/dbraw/zinc/02/53/61/301025361.db2.gz KFAWMARBYAIXIN-LLVKDONJSA-N 1 2 291.376 2.302 40 0 CEABLO COc1ccccc1/C=C/C(=O)NCCCn1cc[nH+]c1 ZINC000010002636 533945501 /nfs/dbraw/zinc/94/55/01/533945501.db2.gz CNYNHNFVWIEJLA-BQYQJAHWSA-N 1 2 285.347 2.111 40 0 CEABLO CCOC(=O)N1CCC([NH2+]c2ccc(OC)cc2N)CC1 ZINC000196644997 520931947 /nfs/dbraw/zinc/93/19/47/520931947.db2.gz JJFMWCZCJHZLRO-UHFFFAOYSA-N 1 2 293.367 2.310 40 0 CEABLO Cc1ccc([C@H]([NH3+])c2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000095534164 185007060 /nfs/dbraw/zinc/00/70/60/185007060.db2.gz HCUJANFHYXUBON-NEPJUHHUSA-N 1 2 258.325 2.013 40 0 CEABLO CCC[C@H](n1nnc2ccccc21)[NH+]1CCOCC1 ZINC000032599874 361745391 /nfs/dbraw/zinc/74/53/91/361745391.db2.gz SZPSIOSHOVKIRO-AWEZNQCLSA-N 1 2 260.341 2.062 40 0 CEABLO CCOCc1ncn2c1C[N@H+](Cc1ccoc1)CCC2 ZINC000096058986 185079019 /nfs/dbraw/zinc/07/90/19/185079019.db2.gz XPUPGPLGTOCAPJ-UHFFFAOYSA-N 1 2 275.352 2.419 40 0 CEABLO CCOCc1ncn2c1C[N@@H+](Cc1ccoc1)CCC2 ZINC000096058986 185079020 /nfs/dbraw/zinc/07/90/20/185079020.db2.gz XPUPGPLGTOCAPJ-UHFFFAOYSA-N 1 2 275.352 2.419 40 0 CEABLO COC(=O)c1ccccc1Nc1cc(N)[nH+]c(SC)n1 ZINC000049467416 362364528 /nfs/dbraw/zinc/36/45/28/362364528.db2.gz WDTGOAIHCOVRAW-UHFFFAOYSA-N 1 2 290.348 2.311 40 0 CEABLO COc1cc2c(cc1Cl)[nH+]cc1c2NCCNC1=O ZINC000064874625 362797643 /nfs/dbraw/zinc/79/76/43/362797643.db2.gz FCKGMLBTAMJDPP-UHFFFAOYSA-N 1 2 277.711 2.052 40 0 CEABLO c1cnn(Cc2ncn3c2C[N@H+](Cc2ccco2)CCC3)c1 ZINC000096259466 364418508 /nfs/dbraw/zinc/41/85/08/364418508.db2.gz HDNYYAJFKPXTPK-UHFFFAOYSA-N 1 2 297.362 2.127 40 0 CEABLO c1cnn(Cc2ncn3c2C[N@@H+](Cc2ccco2)CCC3)c1 ZINC000096259466 364418510 /nfs/dbraw/zinc/41/85/10/364418510.db2.gz HDNYYAJFKPXTPK-UHFFFAOYSA-N 1 2 297.362 2.127 40 0 CEABLO COc1ccc(C[C@H]2CN(c3cc[nH+]c(C)n3)CCO2)cc1 ZINC000257284790 371611210 /nfs/dbraw/zinc/61/12/10/371611210.db2.gz PEIBNFUBPNZZSG-INIZCTEOSA-N 1 2 299.374 2.242 40 0 CEABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cnc(C3CC3)nc2)[nH+]1 ZINC000257202925 190010626 /nfs/dbraw/zinc/01/06/26/190010626.db2.gz ANXARJMLDJMZQN-ZDUSSCGKSA-N 1 2 297.362 2.363 40 0 CEABLO Cc1cc(N)nc([C@@]2(C)CCC[N@@H+]2Cc2cccnc2)n1 ZINC000257213334 190012946 /nfs/dbraw/zinc/01/29/46/190012946.db2.gz CHCVXTXOLGDVIG-MRXNPFEDSA-N 1 2 283.379 2.273 40 0 CEABLO Cc1cc(N)nc([C@@]2(C)CCC[N@H+]2Cc2cccnc2)n1 ZINC000257213334 190012947 /nfs/dbraw/zinc/01/29/47/190012947.db2.gz CHCVXTXOLGDVIG-MRXNPFEDSA-N 1 2 283.379 2.273 40 0 CEABLO CNc1ncccc1C[N@@H+]1CCC[C@@H]1c1nc(C)c[nH]1 ZINC000257245965 190019423 /nfs/dbraw/zinc/01/94/23/190019423.db2.gz IRWVLSLVKUHYLI-CYBMUJFWSA-N 1 2 271.368 2.492 40 0 CEABLO CNc1ncccc1C[N@H+]1CCC[C@@H]1c1nc(C)c[nH]1 ZINC000257245965 190019424 /nfs/dbraw/zinc/01/94/24/190019424.db2.gz IRWVLSLVKUHYLI-CYBMUJFWSA-N 1 2 271.368 2.492 40 0 CEABLO CNc1cc([C@H]2CCCN2C(=O)c2cnc(C)nc2)cc[nH+]1 ZINC000257272967 190025137 /nfs/dbraw/zinc/02/51/37/190025137.db2.gz NEQZEKBLWXFDBF-CQSZACIVSA-N 1 2 297.362 2.199 40 0 CEABLO CN(C)c1cc([C@H]2CCCN2C(=O)c2cnco2)cc[nH+]1 ZINC000257299248 190029522 /nfs/dbraw/zinc/02/95/22/190029522.db2.gz RPHCMGABYKXDKJ-GFCCVEGCSA-N 1 2 286.335 2.113 40 0 CEABLO Cc1c[nH]nc1[C@@H]1CCCC[N@H+]1Cc1ccn(C)n1 ZINC000257328387 190035026 /nfs/dbraw/zinc/03/50/26/190035026.db2.gz XFJOCIMOFQOQBY-ZDUSSCGKSA-N 1 2 259.357 2.179 40 0 CEABLO Cc1c[nH]nc1[C@@H]1CCCC[N@@H+]1Cc1ccn(C)n1 ZINC000257328387 190035027 /nfs/dbraw/zinc/03/50/27/190035027.db2.gz XFJOCIMOFQOQBY-ZDUSSCGKSA-N 1 2 259.357 2.179 40 0 CEABLO Cc1cc(C(=O)c2ccccc2)cnc1N1CC[NH+](C)CC1 ZINC000072222558 256705785 /nfs/dbraw/zinc/70/57/85/256705785.db2.gz DEDGWXRBQNLOPI-UHFFFAOYSA-N 1 2 295.386 2.373 40 0 CEABLO Cc1cc(CO)c[nH+]c1N1CCc2ccccc2C1 ZINC000072222838 394594544 /nfs/dbraw/zinc/59/45/44/394594544.db2.gz JNKODENGLPOYLO-UHFFFAOYSA-N 1 2 254.333 2.445 40 0 CEABLO CNc1cncc([C@@H]2CCCN2c2cccc[nH+]2)n1 ZINC000072356643 176375811 /nfs/dbraw/zinc/37/58/11/176375811.db2.gz FIBADTVRVBDUBI-LBPRGKRZSA-N 1 2 255.325 2.255 40 0 CEABLO c1csc(Nc2nccc([C@@H]3CCCC[NH2+]3)n2)n1 ZINC000072376741 176385366 /nfs/dbraw/zinc/38/53/66/176385366.db2.gz UDGJIIRALLKKNV-VIFPVBQESA-N 1 2 261.354 2.491 40 0 CEABLO c1cn(-c2cccc([C@@H]3CCCN3c3ncccn3)n2)c[nH+]1 ZINC000072378790 176385997 /nfs/dbraw/zinc/38/59/97/176385997.db2.gz BMVJEZQBZHNFHL-AWEZNQCLSA-N 1 2 292.346 2.399 40 0 CEABLO Cc1nnc(Nc2cc([C@@H]3CCC[NH2+]3)nc(C)n2)s1 ZINC000072382167 176388252 /nfs/dbraw/zinc/38/82/52/176388252.db2.gz FSAQXJNUQGHHPK-VIFPVBQESA-N 1 2 276.369 2.113 40 0 CEABLO Cc1ccnc([C@@]2(C)CCCN2Cc2c[nH+]c[nH]2)n1 ZINC000072388380 176393347 /nfs/dbraw/zinc/39/33/47/176393347.db2.gz BOYLFNBOYSYXNV-CQSZACIVSA-N 1 2 257.341 2.019 40 0 CEABLO Cc1ccc([C@H]([NH3+])c2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000095534162 185006588 /nfs/dbraw/zinc/00/65/88/185006588.db2.gz HCUJANFHYXUBON-RYUDHWBXSA-N 1 2 258.325 2.013 40 0 CEABLO CCn1cc2c(n1)[C@@H](COC)C[N@@H+](Cc1ccoc1)C2 ZINC000096059873 185081411 /nfs/dbraw/zinc/08/14/11/185081411.db2.gz QVNKMTZKZQWYPX-CQSZACIVSA-N 1 2 275.352 2.242 40 0 CEABLO CCn1cc2c(n1)[C@@H](COC)C[N@H+](Cc1ccoc1)C2 ZINC000096059873 185081412 /nfs/dbraw/zinc/08/14/12/185081412.db2.gz QVNKMTZKZQWYPX-CQSZACIVSA-N 1 2 275.352 2.242 40 0 CEABLO Cc1cc(N2CCC[C@H](c3csc(N)n3)C2)nc[nH+]1 ZINC000072369040 363130776 /nfs/dbraw/zinc/13/07/76/363130776.db2.gz QZPAYLIUTHPKSU-JTQLQIEISA-N 1 2 275.381 2.208 40 0 CEABLO Cc1cc(N2CCC[C@@H](Cc3ncccn3)C2)nc[nH+]1 ZINC000072385529 363132946 /nfs/dbraw/zinc/13/29/46/363132946.db2.gz FBIMVTZGZIDAFP-ZDUSSCGKSA-N 1 2 269.352 2.034 40 0 CEABLO Cc1cc(N2CCC[C@@H](c3ncncc3C)C2)nc[nH+]1 ZINC000072385495 363132955 /nfs/dbraw/zinc/13/29/55/363132955.db2.gz OZBYAKLIESAYCA-CYBMUJFWSA-N 1 2 269.352 2.267 40 0 CEABLO CCNc1nc(NCc2ccco2)cc(-c2cccnc2)[nH+]1 ZINC000328974166 202135712 /nfs/dbraw/zinc/13/57/12/202135712.db2.gz FDQURBRFNSRYRA-UHFFFAOYSA-N 1 2 295.346 2.019 40 0 CEABLO OCCNc1nc(Nc2ccc(F)cc2)cc(C2CC2)[nH+]1 ZINC000328981794 202139104 /nfs/dbraw/zinc/13/91/04/202139104.db2.gz GWONRDIOEOTTNQ-UHFFFAOYSA-N 1 2 288.326 2.063 40 0 CEABLO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@H+]1Cc1cccnc1 ZINC000019287508 361526403 /nfs/dbraw/zinc/52/64/03/361526403.db2.gz QVRBKQDTAVGXQD-CJNGLKHVSA-N 1 2 266.348 2.442 40 0 CEABLO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@@H+]1Cc1cccnc1 ZINC000019287508 361526406 /nfs/dbraw/zinc/52/64/06/361526406.db2.gz QVRBKQDTAVGXQD-CJNGLKHVSA-N 1 2 266.348 2.442 40 0 CEABLO Cc1cc(NCC[NH+]2CCOCC2)nc(-c2ccccc2)n1 ZINC000026440510 361639855 /nfs/dbraw/zinc/63/98/55/361639855.db2.gz NZZSCQQRXFCMEP-UHFFFAOYSA-N 1 2 298.390 2.196 40 0 CEABLO CN1CCN(C(=O)Cc2ccc(F)cc2)Cc2ccc[nH+]c21 ZINC000096198803 364409074 /nfs/dbraw/zinc/40/90/74/364409074.db2.gz BYKIIPQXTPZCHV-UHFFFAOYSA-N 1 2 299.349 2.242 40 0 CEABLO Cc1nc([C@@H]2COCC[N@@H+]2C2CCOCC2)cs1 ZINC000096220524 364414932 /nfs/dbraw/zinc/41/49/32/364414932.db2.gz DFBFGMNMCMHCBU-ZDUSSCGKSA-N 1 2 268.382 2.004 40 0 CEABLO Cc1nc([C@@H]2COCC[N@H+]2C2CCOCC2)cs1 ZINC000096220524 364414938 /nfs/dbraw/zinc/41/49/38/364414938.db2.gz DFBFGMNMCMHCBU-ZDUSSCGKSA-N 1 2 268.382 2.004 40 0 CEABLO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1cccc(F)c1 ZINC000096252498 364415818 /nfs/dbraw/zinc/41/58/18/364415818.db2.gz LLVLMKOEXSBNJL-YIONKMFJSA-N 1 2 265.328 2.204 40 0 CEABLO COC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1cccc(F)c1 ZINC000096252498 364415823 /nfs/dbraw/zinc/41/58/23/364415823.db2.gz LLVLMKOEXSBNJL-YIONKMFJSA-N 1 2 265.328 2.204 40 0 CEABLO CCO[C@H]1CSC2(C[NH+](Cc3cccnc3OC)C2)C1 ZINC000247891315 371145018 /nfs/dbraw/zinc/14/50/18/371145018.db2.gz TVRNFVGXYHWIIA-CYBMUJFWSA-N 1 2 294.420 2.187 40 0 CEABLO c1cn2ccc([C@@H]3CCCN3c3ncccn3)cc2[nH+]1 ZINC000257231383 371609610 /nfs/dbraw/zinc/60/96/10/371609610.db2.gz GGLVHRILJSCFTK-ZDUSSCGKSA-N 1 2 265.320 2.466 40 0 CEABLO Cc1cc2nccc(C3CC[NH+](Cc4ncc[nH]4)CC3)n2n1 ZINC000257214003 190012913 /nfs/dbraw/zinc/01/29/13/190012913.db2.gz CKBKCLXIPCSNLR-UHFFFAOYSA-N 1 2 296.378 2.140 40 0 CEABLO Cc1c[nH]nc1[C@H]1CCCC[N@H+]1Cc1cnn(C)c1 ZINC000257241683 190018331 /nfs/dbraw/zinc/01/83/31/190018331.db2.gz HZCXQNHJVWPOKE-CYBMUJFWSA-N 1 2 259.357 2.179 40 0 CEABLO Cc1c[nH]nc1[C@H]1CCCC[N@@H+]1Cc1cnn(C)c1 ZINC000257241683 190018332 /nfs/dbraw/zinc/01/83/32/190018332.db2.gz HZCXQNHJVWPOKE-CYBMUJFWSA-N 1 2 259.357 2.179 40 0 CEABLO Cc1cn[nH]c1[C@H]1CCCC[N@H+]1Cc1cnn(C)c1 ZINC000257241683 190018333 /nfs/dbraw/zinc/01/83/33/190018333.db2.gz HZCXQNHJVWPOKE-CYBMUJFWSA-N 1 2 259.357 2.179 40 0 CEABLO Cc1cn[nH]c1[C@H]1CCCC[N@@H+]1Cc1cnn(C)c1 ZINC000257241683 190018334 /nfs/dbraw/zinc/01/83/34/190018334.db2.gz HZCXQNHJVWPOKE-CYBMUJFWSA-N 1 2 259.357 2.179 40 0 CEABLO COc1ccccc1[C@@H]1CN(C(=O)CC2CC2)CC[N@@H+]1C ZINC000257273096 190024714 /nfs/dbraw/zinc/02/47/14/190024714.db2.gz NFGILESSQVXTIR-HNNXBMFYSA-N 1 2 288.391 2.310 40 0 CEABLO COc1ccccc1[C@@H]1CN(C(=O)CC2CC2)CC[N@H+]1C ZINC000257273096 190024715 /nfs/dbraw/zinc/02/47/15/190024715.db2.gz NFGILESSQVXTIR-HNNXBMFYSA-N 1 2 288.391 2.310 40 0 CEABLO Cn1cnc(C[N@@H+]2CCCC[C@H]2c2ccn3nccc3n2)c1 ZINC000257299276 190029414 /nfs/dbraw/zinc/02/94/14/190029414.db2.gz RPKBFSRNDCFCJP-HNNXBMFYSA-N 1 2 296.378 2.190 40 0 CEABLO Cn1cnc(C[N@H+]2CCCC[C@H]2c2ccn3nccc3n2)c1 ZINC000257299276 190029415 /nfs/dbraw/zinc/02/94/15/190029415.db2.gz RPKBFSRNDCFCJP-HNNXBMFYSA-N 1 2 296.378 2.190 40 0 CEABLO CN(C)c1cc([C@H]2CCC[N@@H+]2Cc2c[nH]cn2)ccn1 ZINC000257317229 190032836 /nfs/dbraw/zinc/03/28/36/190032836.db2.gz VIWZNDRLCNAWID-CQSZACIVSA-N 1 2 271.368 2.208 40 0 CEABLO CN(C)c1cc([C@H]2CCC[N@H+]2Cc2c[nH]cn2)ccn1 ZINC000257317229 190032837 /nfs/dbraw/zinc/03/28/37/190032837.db2.gz VIWZNDRLCNAWID-CQSZACIVSA-N 1 2 271.368 2.208 40 0 CEABLO CN(C)c1cc([C@H]2CCC[N@@H+]2Cc2cnc[nH]2)ccn1 ZINC000257317229 190032838 /nfs/dbraw/zinc/03/28/38/190032838.db2.gz VIWZNDRLCNAWID-CQSZACIVSA-N 1 2 271.368 2.208 40 0 CEABLO CN(C)c1cc([C@H]2CCC[N@H+]2Cc2cnc[nH]2)ccn1 ZINC000257317229 190032839 /nfs/dbraw/zinc/03/28/39/190032839.db2.gz VIWZNDRLCNAWID-CQSZACIVSA-N 1 2 271.368 2.208 40 0 CEABLO Cc1[nH]ncc1C[NH+]1CCC(c2ccn3nccc3n2)CC1 ZINC000257319904 190033768 /nfs/dbraw/zinc/03/37/68/190033768.db2.gz VUNXAVOFXDYGHL-UHFFFAOYSA-N 1 2 296.378 2.140 40 0 CEABLO Nc1cccc([C@@H]2C[N@H+](Cc3ccsc3)CCO2)n1 ZINC000257320684 190033850 /nfs/dbraw/zinc/03/38/50/190033850.db2.gz VYAPRAIDSXSVRK-ZDUSSCGKSA-N 1 2 275.377 2.299 40 0 CEABLO Nc1cccc([C@@H]2C[N@@H+](Cc3ccsc3)CCO2)n1 ZINC000257320684 190033851 /nfs/dbraw/zinc/03/38/51/190033851.db2.gz VYAPRAIDSXSVRK-ZDUSSCGKSA-N 1 2 275.377 2.299 40 0 CEABLO C[NH+](C)Cc1cncc([C@@H]2CCCN2Cc2cccnc2)n1 ZINC000257324881 190033947 /nfs/dbraw/zinc/03/39/47/190033947.db2.gz WQOZBODZJSWKHG-KRWDZBQOSA-N 1 2 297.406 2.270 40 0 CEABLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@H]2CC=CCC2)C1 ZINC000332761747 377695727 /nfs/dbraw/zinc/69/57/27/377695727.db2.gz OSUMLFVLOXKVEH-STQMWFEESA-N 1 2 274.368 2.028 40 0 CEABLO Cc1cc(N)[nH+]cc1C(=O)CCCNC(=O)OC(C)(C)C ZINC000072218484 394593327 /nfs/dbraw/zinc/59/33/27/394593327.db2.gz QBMSHDMJQUNYRL-UHFFFAOYSA-N 1 2 293.367 2.460 40 0 CEABLO Cc1cc(C(=O)CCCNC(=O)OC(C)(C)C)c[nH+]c1N ZINC000072218424 394593529 /nfs/dbraw/zinc/59/35/29/394593529.db2.gz IRMWPFLSNUBBAC-UHFFFAOYSA-N 1 2 293.367 2.460 40 0 CEABLO Cc1[nH+]c(N2CCOCC2)ccc1[C@@H](O)c1ccccc1 ZINC000072224600 394594690 /nfs/dbraw/zinc/59/46/90/394594690.db2.gz KQXNPQZXFHBOES-KRWDZBQOSA-N 1 2 284.359 2.308 40 0 CEABLO CCCCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020494380 171226851 /nfs/dbraw/zinc/22/68/51/171226851.db2.gz JBQCTDXWNNJAGG-UHFFFAOYSA-N 1 2 290.407 2.439 40 0 CEABLO CCOC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCC1=O ZINC000071623871 176235606 /nfs/dbraw/zinc/23/56/06/176235606.db2.gz QYILJAGPONBKJX-CQSZACIVSA-N 1 2 275.348 2.031 40 0 CEABLO CCOC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1=O ZINC000071623871 176235608 /nfs/dbraw/zinc/23/56/08/176235608.db2.gz QYILJAGPONBKJX-CQSZACIVSA-N 1 2 275.348 2.031 40 0 CEABLO Cc1ccc([C@]2(O)CCN(c3cc(C)[nH+]cn3)C2)cc1 ZINC000072368990 176383695 /nfs/dbraw/zinc/38/36/95/176383695.db2.gz PHCMTBBRABZKSC-INIZCTEOSA-N 1 2 269.348 2.191 40 0 CEABLO Cc1c[nH]nc1C[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000257318625 279007368 /nfs/dbraw/zinc/00/73/68/279007368.db2.gz VOSSRCMTEOHJKX-ZDUSSCGKSA-N 1 2 271.368 2.276 40 0 CEABLO Cn1c[nH+]c(CN2Cc3nccn3C[C@@H]2c2ccccc2)c1 ZINC000257294544 279383508 /nfs/dbraw/zinc/38/35/08/279383508.db2.gz QUQQJPCUJIKBTN-MRXNPFEDSA-N 1 2 293.374 2.374 40 0 CEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cccc(C)c2)[nH+]1 ZINC000257294841 301025091 /nfs/dbraw/zinc/02/50/91/301025091.db2.gz QVYGWCIBMXFNPE-CQSZACIVSA-N 1 2 285.347 2.240 40 0 CEABLO CCOC[C@H]1Cn2ccnc2C[N@H+](Cc2ccc(C)o2)C1 ZINC000096059122 185078891 /nfs/dbraw/zinc/07/88/91/185078891.db2.gz RMKUJQHYZVTFLJ-CQSZACIVSA-N 1 2 289.379 2.453 40 0 CEABLO CCOC[C@H]1Cn2ccnc2C[N@@H+](Cc2ccc(C)o2)C1 ZINC000096059122 185078893 /nfs/dbraw/zinc/07/88/93/185078893.db2.gz RMKUJQHYZVTFLJ-CQSZACIVSA-N 1 2 289.379 2.453 40 0 CEABLO COCCc1nc(Nc2ccccc2F)cc(N)[nH+]1 ZINC000049467701 362364498 /nfs/dbraw/zinc/36/44/98/362364498.db2.gz DZDPAXGVOYVALG-UHFFFAOYSA-N 1 2 262.288 2.130 40 0 CEABLO CO[C@@H]1CCOC2(C[NH+](Cc3cccs3)C2)C1 ZINC000585104486 345005934 /nfs/dbraw/zinc/00/59/34/345005934.db2.gz JCOKKSWMTLBFAJ-LLVKDONJSA-N 1 2 253.367 2.128 40 0 CEABLO COc1cccc(/C=C2/SC(=O)N(C[NH+](C)C)C2=O)c1 ZINC000059502361 362649518 /nfs/dbraw/zinc/64/95/18/362649518.db2.gz YNECGAISKSPROD-XYOKQWHBSA-N 1 2 292.360 2.251 40 0 CEABLO c1csc(C[N@@H+]2CCN3C[C@@H](OCC4CC4)C[C@@H]3C2)c1 ZINC000107746629 186189096 /nfs/dbraw/zinc/18/90/96/186189096.db2.gz NRAXYOAGABLPCC-CABCVRRESA-N 1 2 292.448 2.433 40 0 CEABLO c1csc(C[N@H+]2CCN3C[C@@H](OCC4CC4)C[C@@H]3C2)c1 ZINC000107746629 186189098 /nfs/dbraw/zinc/18/90/98/186189098.db2.gz NRAXYOAGABLPCC-CABCVRRESA-N 1 2 292.448 2.433 40 0 CEABLO CNc1cncc([C@H]2CCCN(c3cc(C)[nH+]cn3)C2)n1 ZINC000072364108 363131298 /nfs/dbraw/zinc/13/12/98/363131298.db2.gz KOFPXVSLEWQMSD-LBPRGKRZSA-N 1 2 284.367 2.001 40 0 CEABLO CC[C@](C)(C(=O)OC)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000030769392 361702712 /nfs/dbraw/zinc/70/27/12/361702712.db2.gz LOMWQANICGDYHY-MRXNPFEDSA-N 1 2 294.370 2.289 40 0 CEABLO C[C@H](C[N@H+]1C[C@H]2CC[C@@H](C1)O2)OC(=O)c1ccccc1 ZINC000031939034 361722304 /nfs/dbraw/zinc/72/23/04/361722304.db2.gz UFMKUPZQURDUHA-YUELXQCFSA-N 1 2 275.348 2.095 40 0 CEABLO C[C@H](C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)OC(=O)c1ccccc1 ZINC000031939034 361722307 /nfs/dbraw/zinc/72/23/07/361722307.db2.gz UFMKUPZQURDUHA-YUELXQCFSA-N 1 2 275.348 2.095 40 0 CEABLO CCn1nnc2c1CC[N@H+](C)[C@H]2COCc1ccccc1 ZINC000096198497 364408443 /nfs/dbraw/zinc/40/84/43/364408443.db2.gz MGLBKNYPOCNUTE-HNNXBMFYSA-N 1 2 286.379 2.044 40 0 CEABLO CCn1nnc2c1CC[N@@H+](C)[C@H]2COCc1ccccc1 ZINC000096198497 364408450 /nfs/dbraw/zinc/40/84/50/364408450.db2.gz MGLBKNYPOCNUTE-HNNXBMFYSA-N 1 2 286.379 2.044 40 0 CEABLO c1cnc(N2CCC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)nc1 ZINC000096158254 364403391 /nfs/dbraw/zinc/40/33/91/364403391.db2.gz KAVMNPUAJFBNMH-KRWDZBQOSA-N 1 2 295.390 2.369 40 0 CEABLO COC(=O)[C@H](C(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000022123392 284243936 /nfs/dbraw/zinc/24/39/36/284243936.db2.gz IBPADMUOSLNIBM-HNNXBMFYSA-N 1 2 294.370 2.145 40 0 CEABLO Cc1nc([C@@H]2COCC[N@@H+]2CCc2ccccc2)cc(=O)[nH]1 ZINC000257205269 190011858 /nfs/dbraw/zinc/01/18/58/190011858.db2.gz AYHZQSAANUCHRQ-INIZCTEOSA-N 1 2 299.374 2.107 40 0 CEABLO Cc1nc([C@@H]2COCC[N@H+]2CCc2ccccc2)cc(=O)[nH]1 ZINC000257205269 190011859 /nfs/dbraw/zinc/01/18/59/190011859.db2.gz AYHZQSAANUCHRQ-INIZCTEOSA-N 1 2 299.374 2.107 40 0 CEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)CCc2ccccc2)[nH+]1 ZINC000257221259 190014868 /nfs/dbraw/zinc/01/48/68/190014868.db2.gz DOECKDCFNGRHGF-OAHLLOKOSA-N 1 2 299.374 2.251 40 0 CEABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)Cc2c(C)noc2C)[nH+]1 ZINC000257236419 190017626 /nfs/dbraw/zinc/01/76/26/190017626.db2.gz HCBOFFYZSBNUEA-ZDUSSCGKSA-N 1 2 288.351 2.229 40 0 CEABLO Cc1cn(C)c([C@H]2C[N@H+](Cc3ccc(C)nc3)CCO2)n1 ZINC000257242813 190018766 /nfs/dbraw/zinc/01/87/66/190018766.db2.gz IEGGXVWRNXTKBK-OAHLLOKOSA-N 1 2 286.379 2.005 40 0 CEABLO Cc1cn(C)c([C@H]2C[N@@H+](Cc3ccc(C)nc3)CCO2)n1 ZINC000257242813 190018767 /nfs/dbraw/zinc/01/87/67/190018767.db2.gz IEGGXVWRNXTKBK-OAHLLOKOSA-N 1 2 286.379 2.005 40 0 CEABLO CC(=O)N1CCC[C@H]1c1cccc(-c2c[nH+]c(C)n2C)n1 ZINC000257249984 190019966 /nfs/dbraw/zinc/01/99/66/190019966.db2.gz JKNPCWRGUKMPCO-HNNXBMFYSA-N 1 2 284.363 2.474 40 0 CEABLO CCO[C@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1c(C)noc1C ZINC000096041969 394675559 /nfs/dbraw/zinc/67/55/59/394675559.db2.gz YNIRZMNZOKDPEJ-SOUVJXGZSA-N 1 2 280.368 2.060 40 0 CEABLO CCO[C@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1c(C)noc1C ZINC000096041969 394675561 /nfs/dbraw/zinc/67/55/61/394675561.db2.gz YNIRZMNZOKDPEJ-SOUVJXGZSA-N 1 2 280.368 2.060 40 0 CEABLO COC(=O)[C@@]1([NH3+])C[C@H]1c1c(OC)ccc2ccccc21 ZINC000096525909 394697173 /nfs/dbraw/zinc/69/71/73/394697173.db2.gz FQEDMJTWTARDIP-BLLLJJGKSA-N 1 2 271.316 2.206 40 0 CEABLO CCOC(=O)c1c[nH+]c2ccc(C(=O)OC)cc2c1NC ZINC000040175696 174201104 /nfs/dbraw/zinc/20/11/04/174201104.db2.gz KMRJTLNYUXGMJQ-UHFFFAOYSA-N 1 2 288.303 2.240 40 0 CEABLO [NH3+][C@@H](c1nnc(-c2cccc(O)c2)[nH]1)c1ccc(F)cc1 ZINC000095533264 185006077 /nfs/dbraw/zinc/00/60/77/185006077.db2.gz ZJZLWWIJCLWQSN-CYBMUJFWSA-N 1 2 284.294 2.365 40 0 CEABLO CCOC[C@@H]1Cn2cc[nH+]c2CN(Cc2nccs2)C1 ZINC000096059119 185078768 /nfs/dbraw/zinc/07/87/68/185078768.db2.gz PQDOMEDMBSAOFC-LBPRGKRZSA-N 1 2 292.408 2.008 40 0 CEABLO COCc1cncc2c1CC[N@H+](Cc1ccco1)C2 ZINC000096059253 185078942 /nfs/dbraw/zinc/07/89/42/185078942.db2.gz BZZOMTDUSCYMMQ-UHFFFAOYSA-N 1 2 258.321 2.379 40 0 CEABLO COCc1cncc2c1CC[N@@H+](Cc1ccco1)C2 ZINC000096059253 185078943 /nfs/dbraw/zinc/07/89/43/185078943.db2.gz BZZOMTDUSCYMMQ-UHFFFAOYSA-N 1 2 258.321 2.379 40 0 CEABLO CCCNC(=O)c1cc(N)ccc1[NH+]1CCCCC1 ZINC000035707437 361821926 /nfs/dbraw/zinc/82/19/26/361821926.db2.gz UKHFRGLXVYVLNK-UHFFFAOYSA-N 1 2 261.369 2.399 40 0 CEABLO CC(C)C(=O)N1C[C@H]2C[N@H+](Cc3cccc(F)c3)[C@@H]2C1 ZINC000096090585 185094876 /nfs/dbraw/zinc/09/48/76/185094876.db2.gz YLFZEFXBYIFKLD-UKRRQHHQSA-N 1 2 276.355 2.124 40 0 CEABLO CC(C)C(=O)N1C[C@H]2C[N@@H+](Cc3cccc(F)c3)[C@@H]2C1 ZINC000096090585 185094877 /nfs/dbraw/zinc/09/48/77/185094877.db2.gz YLFZEFXBYIFKLD-UKRRQHHQSA-N 1 2 276.355 2.124 40 0 CEABLO Cc1cccc(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000129974273 136388017 /nfs/dbraw/zinc/38/80/17/136388017.db2.gz DZMLVLHKOYPEAT-CQSZACIVSA-N 1 2 296.374 2.184 40 0 CEABLO CC[N@H+](Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000070980139 343798456 /nfs/dbraw/zinc/79/84/56/343798456.db2.gz GHAIYAOOOUSXDD-ZDUSSCGKSA-N 1 2 287.812 2.349 40 0 CEABLO CC[N@@H+](Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000070980139 343798459 /nfs/dbraw/zinc/79/84/59/343798459.db2.gz GHAIYAOOOUSXDD-ZDUSSCGKSA-N 1 2 287.812 2.349 40 0 CEABLO CCOc1ccc(Nc2cc(N)[nH+]c(CCOC)n2)cc1 ZINC000049467744 362364080 /nfs/dbraw/zinc/36/40/80/362364080.db2.gz GCPRXQRJVMBPET-UHFFFAOYSA-N 1 2 288.351 2.390 40 0 CEABLO Cc1cn(C)c([C@H]2C[N@H+](Cc3ccsc3)CCO2)n1 ZINC000585181420 345009279 /nfs/dbraw/zinc/00/92/79/345009279.db2.gz COIQBRRQYFGZDQ-CYBMUJFWSA-N 1 2 277.393 2.364 40 0 CEABLO Cc1cn(C)c([C@H]2C[N@@H+](Cc3ccsc3)CCO2)n1 ZINC000585181420 345009283 /nfs/dbraw/zinc/00/92/83/345009283.db2.gz COIQBRRQYFGZDQ-CYBMUJFWSA-N 1 2 277.393 2.364 40 0 CEABLO C[N@@H+]1CCN(C(=O)c2cccnc2)C[C@H]1c1ccccc1 ZINC000062109017 362706161 /nfs/dbraw/zinc/70/61/61/362706161.db2.gz NQZRUJIWPDQXQH-INIZCTEOSA-N 1 2 281.359 2.211 40 0 CEABLO C[N@H+]1CCN(C(=O)c2cccnc2)C[C@H]1c1ccccc1 ZINC000062109017 362706168 /nfs/dbraw/zinc/70/61/68/362706168.db2.gz NQZRUJIWPDQXQH-INIZCTEOSA-N 1 2 281.359 2.211 40 0 CEABLO C[N@@H+]1CCO[C@H](COc2ccc(Br)cc2)C1 ZINC000092056767 180314610 /nfs/dbraw/zinc/31/46/10/180314610.db2.gz SXRKKAXEMJEADE-LBPRGKRZSA-N 1 2 286.169 2.159 40 0 CEABLO C[N@H+]1CCO[C@H](COc2ccc(Br)cc2)C1 ZINC000092056767 180314611 /nfs/dbraw/zinc/31/46/11/180314611.db2.gz SXRKKAXEMJEADE-LBPRGKRZSA-N 1 2 286.169 2.159 40 0 CEABLO Cc1cc(N2CCC[C@@H](c3ccnc(N(C)C)n3)C2)nc[nH+]1 ZINC000072364142 363131248 /nfs/dbraw/zinc/13/12/48/363131248.db2.gz UHCACYTVJSXMEL-CYBMUJFWSA-N 1 2 298.394 2.025 40 0 CEABLO CNc1cncc([C@@H]2CCCN(c3cc(C)[nH+]cn3)C2)n1 ZINC000072364109 363131730 /nfs/dbraw/zinc/13/17/30/363131730.db2.gz KOFPXVSLEWQMSD-GFCCVEGCSA-N 1 2 284.367 2.001 40 0 CEABLO Cc1cc(N2CCC(Cc3cnccn3)CC2)nc[nH+]1 ZINC000072385525 363132877 /nfs/dbraw/zinc/13/28/77/363132877.db2.gz LANXNYBTUMAWJV-UHFFFAOYSA-N 1 2 269.352 2.034 40 0 CEABLO CNc1cc(-c2ccccc2)[nH+]c(NC2CCCC2)n1 ZINC000329050741 202168796 /nfs/dbraw/zinc/16/87/96/202168796.db2.gz UUPDDVVZKZGRCT-UHFFFAOYSA-N 1 2 268.364 2.384 40 0 CEABLO C[N@H+](CCNN1CCCC1)Cc1ccccc1Cl ZINC000019167029 361521324 /nfs/dbraw/zinc/52/13/24/361521324.db2.gz AODCVHKZJUAXOQ-UHFFFAOYSA-N 1 2 267.804 2.372 40 0 CEABLO C[N@@H+](CCNN1CCCC1)Cc1ccccc1Cl ZINC000019167029 361521331 /nfs/dbraw/zinc/52/13/31/361521331.db2.gz AODCVHKZJUAXOQ-UHFFFAOYSA-N 1 2 267.804 2.372 40 0 CEABLO CN(CC[NH2+]N1CCCC1)Cc1ccccc1Cl ZINC000019167029 361521337 /nfs/dbraw/zinc/52/13/37/361521337.db2.gz AODCVHKZJUAXOQ-UHFFFAOYSA-N 1 2 267.804 2.372 40 0 CEABLO COCC(=O)N1CCC[C@@H](c2[nH+]c(C)n3ccsc23)C1 ZINC000019240747 361522417 /nfs/dbraw/zinc/52/24/17/361522417.db2.gz DKTZHEOVLXABMO-LLVKDONJSA-N 1 2 293.392 2.057 40 0 CEABLO Cc1cc(C)n(CCCn2c[nH+]cc2-c2cn(C)nc2C)n1 ZINC000019719437 361549062 /nfs/dbraw/zinc/54/90/62/361549062.db2.gz YNWRYNCHZOLUJY-UHFFFAOYSA-N 1 2 298.394 2.496 40 0 CEABLO CCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000023379358 361599554 /nfs/dbraw/zinc/59/95/54/361599554.db2.gz PXDGUZYTZGUSLZ-RMKNXTFCSA-N 1 2 258.365 2.254 40 0 CEABLO COCCc1c[nH+]c2n1CCN(C(=O)C1=CCCC1)[C@H]2C ZINC000585097769 367177254 /nfs/dbraw/zinc/17/72/54/367177254.db2.gz OHIDYHJZEVQKFF-LBPRGKRZSA-N 1 2 289.379 2.086 40 0 CEABLO CCOC(=O)C1CC[NH+](c2ccc(N)cc2OC)CC1 ZINC000216931634 370191893 /nfs/dbraw/zinc/19/18/93/370191893.db2.gz CBIGCTJMTCKMCL-UHFFFAOYSA-N 1 2 278.352 2.057 40 0 CEABLO COC[C@H]1CCOC12C[NH+](Cc1ccccc1F)C2 ZINC000247896580 371145540 /nfs/dbraw/zinc/14/55/40/371145540.db2.gz VBHBJBXNGHWMPL-CYBMUJFWSA-N 1 2 265.328 2.063 40 0 CEABLO Cc1nc(N2CCO[C@@H](Cc3ccccc3)C2)cc[nH+]1 ZINC000257205684 371610239 /nfs/dbraw/zinc/61/02/39/371610239.db2.gz BADCXEQCYXJWIF-HNNXBMFYSA-N 1 2 269.348 2.233 40 0 CEABLO Cc1cncc([C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)n1 ZINC000257321605 371612603 /nfs/dbraw/zinc/61/26/03/371612603.db2.gz WCIPSHBDLDEWEO-CYBMUJFWSA-N 1 2 269.352 2.267 40 0 CEABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cscn3)C2)[nH+]1 ZINC000257312664 371612629 /nfs/dbraw/zinc/61/26/29/371612629.db2.gz UPAHBIAXWZBBMF-NSHDSACASA-N 1 2 290.392 2.205 40 0 CEABLO CCn1ncc(C[NH2+]Cc2ccn(C(C)C)n2)c1F ZINC000256050311 190002862 /nfs/dbraw/zinc/00/28/62/190002862.db2.gz DPFGOTAGMYHPSO-UHFFFAOYSA-N 1 2 265.336 2.109 40 0 CEABLO CCCn1cc(C[NH2+]Cc2ccn(C(F)F)n2)c(C)n1 ZINC000256050614 190002896 /nfs/dbraw/zinc/00/28/96/190002896.db2.gz FTJRVQGVBATZBO-UHFFFAOYSA-N 1 2 283.326 2.483 40 0 CEABLO Cc1cc(CC2CCN(C(=O)c3cnn(C)c3)CC2)cc[nH+]1 ZINC000257203208 190011822 /nfs/dbraw/zinc/01/18/22/190011822.db2.gz APBGCPZERMPFAR-UHFFFAOYSA-N 1 2 298.390 2.218 40 0 CEABLO CCn1cc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c(C)n1 ZINC000257213471 190013546 /nfs/dbraw/zinc/01/35/46/190013546.db2.gz CHSKOOHPETVVGI-CYBMUJFWSA-N 1 2 273.384 2.314 40 0 CEABLO CCn1cc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c(C)n1 ZINC000257213471 190013547 /nfs/dbraw/zinc/01/35/47/190013547.db2.gz CHSKOOHPETVVGI-CYBMUJFWSA-N 1 2 273.384 2.314 40 0 CEABLO COc1ccccc1CC(=O)N1CC[C@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257231456 190016586 /nfs/dbraw/zinc/01/65/86/190016586.db2.gz GGTUKUYBHVEPMO-AWEZNQCLSA-N 1 2 299.374 2.285 40 0 CEABLO COc1cccc(C[N@@H+]2CC[C@H](c3ccn[nH]3)C2)c1OC ZINC000257238493 190017562 /nfs/dbraw/zinc/01/75/62/190017562.db2.gz HLFHISNGBQCFRY-LBPRGKRZSA-N 1 2 287.363 2.416 40 0 CEABLO COc1cccc(C[N@H+]2CC[C@H](c3ccn[nH]3)C2)c1OC ZINC000257238493 190017563 /nfs/dbraw/zinc/01/75/63/190017563.db2.gz HLFHISNGBQCFRY-LBPRGKRZSA-N 1 2 287.363 2.416 40 0 CEABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)[nH+]1 ZINC000257261080 190022726 /nfs/dbraw/zinc/02/27/26/190022726.db2.gz LFQSEZUQQDUWIF-GFCCVEGCSA-N 1 2 299.330 2.424 40 0 CEABLO c1csc(Nc2cncc(C3CC[NH2+]CC3)n2)n1 ZINC000257323743 190034312 /nfs/dbraw/zinc/03/43/12/190034312.db2.gz WLQMGJOIDDQKRK-UHFFFAOYSA-N 1 2 261.354 2.144 40 0 CEABLO COc1ccc(C(=O)N2CCC[C@@H]2c2[nH]cc(C)[nH+]2)cn1 ZINC000257329725 190035049 /nfs/dbraw/zinc/03/50/49/190035049.db2.gz XLGBFLFMRVIBSD-GFCCVEGCSA-N 1 2 286.335 2.099 40 0 CEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)CCc3cccnc3)C2)[nH+]1 ZINC000257342283 190037350 /nfs/dbraw/zinc/03/73/50/190037350.db2.gz ZNYYRUSQTSIMET-OAHLLOKOSA-N 1 2 298.390 2.072 40 0 CEABLO c1nc2n(c1-c1cccnc1)CC[N@@H+](Cc1cccnc1)C2 ZINC000306135601 376540512 /nfs/dbraw/zinc/54/05/12/376540512.db2.gz OVNIYRVFAKENMG-UHFFFAOYSA-N 1 2 291.358 2.356 40 0 CEABLO c1nc2n(c1-c1cccnc1)CC[N@H+](Cc1cccnc1)C2 ZINC000306135601 376540561 /nfs/dbraw/zinc/54/05/61/376540561.db2.gz OVNIYRVFAKENMG-UHFFFAOYSA-N 1 2 291.358 2.356 40 0 CEABLO CC(=O)N1CCC[C@H]1c1ccc(N2CCCC2)[nH+]c1 ZINC000072215916 394592913 /nfs/dbraw/zinc/59/29/13/394592913.db2.gz SHXDXRDFUMVGQV-AWEZNQCLSA-N 1 2 259.353 2.365 40 0 CEABLO Cc1[nH+]c(N2CCOCC2)ccc1[C@H](O)c1ccccc1 ZINC000072224599 394594532 /nfs/dbraw/zinc/59/45/32/394594532.db2.gz KQXNPQZXFHBOES-QGZVFWFLSA-N 1 2 284.359 2.308 40 0 CEABLO Cc1cncc([C@H]2CCCN(c3cc[nH+]c(C)n3)C2)n1 ZINC000257321606 394595523 /nfs/dbraw/zinc/59/55/23/394595523.db2.gz WCIPSHBDLDEWEO-ZDUSSCGKSA-N 1 2 269.352 2.267 40 0 CEABLO CC[C@H](Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](C)CC1 ZINC000008040706 170316016 /nfs/dbraw/zinc/31/60/16/170316016.db2.gz QTWMELOWEGPAMY-AWEZNQCLSA-N 1 2 296.798 2.271 40 0 CEABLO C[N@@H+]1CCc2nn(-c3nc4ccccc4s3)c(N)c2C1 ZINC000020387389 171176837 /nfs/dbraw/zinc/17/68/37/171176837.db2.gz IZPFQAQQEYTTCZ-UHFFFAOYSA-N 1 2 285.376 2.052 40 0 CEABLO C[N@H+]1CCc2nn(-c3nc4ccccc4s3)c(N)c2C1 ZINC000020387389 171176838 /nfs/dbraw/zinc/17/68/38/171176838.db2.gz IZPFQAQQEYTTCZ-UHFFFAOYSA-N 1 2 285.376 2.052 40 0 CEABLO Cc1cc(N2CC[C@@H](c3nn(C)c4ncccc34)C2)nc[nH+]1 ZINC000072364115 176378647 /nfs/dbraw/zinc/37/86/47/176378647.db2.gz LPFBFLUUNBLVFM-GFCCVEGCSA-N 1 2 294.362 2.061 40 0 CEABLO COC[C@H]1CN(Cc2ccccc2F)Cc2[nH+]cn(C)c21 ZINC000096044779 185071659 /nfs/dbraw/zinc/07/16/59/185071659.db2.gz SEVKKDFPZIEYTK-CYBMUJFWSA-N 1 2 289.354 2.305 40 0 CEABLO COC[C@H]1C[N@H+](Cc2ccccc2F)Cc2ncn(C)c21 ZINC000096044779 185071660 /nfs/dbraw/zinc/07/16/60/185071660.db2.gz SEVKKDFPZIEYTK-CYBMUJFWSA-N 1 2 289.354 2.305 40 0 CEABLO COC[C@H]1C[N@@H+](Cc2ccccc2F)Cc2ncn(C)c21 ZINC000096044779 185071661 /nfs/dbraw/zinc/07/16/61/185071661.db2.gz SEVKKDFPZIEYTK-CYBMUJFWSA-N 1 2 289.354 2.305 40 0 CEABLO CCn1cc2c(n1)[C@H](COC)C[N@@H+](Cc1ccoc1)C2 ZINC000096059872 185081272 /nfs/dbraw/zinc/08/12/72/185081272.db2.gz QVNKMTZKZQWYPX-AWEZNQCLSA-N 1 2 275.352 2.242 40 0 CEABLO CCn1cc2c(n1)[C@H](COC)C[N@H+](Cc1ccoc1)C2 ZINC000096059872 185081274 /nfs/dbraw/zinc/08/12/74/185081274.db2.gz QVNKMTZKZQWYPX-AWEZNQCLSA-N 1 2 275.352 2.242 40 0 CEABLO COC[C@@H]1C[N@H+](Cc2ccsc2)Cc2nn(C)cc21 ZINC000096060353 185081662 /nfs/dbraw/zinc/08/16/62/185081662.db2.gz OXJJKVRSNNNGNP-LBPRGKRZSA-N 1 2 277.393 2.227 40 0 CEABLO COC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2nn(C)cc21 ZINC000096060353 185081663 /nfs/dbraw/zinc/08/16/63/185081663.db2.gz OXJJKVRSNNNGNP-LBPRGKRZSA-N 1 2 277.393 2.227 40 0 CEABLO c1c[nH]c(C[NH2+]Cc2cccnc2OC2CCCC2)n1 ZINC000067669706 362917084 /nfs/dbraw/zinc/91/70/84/362917084.db2.gz GTFYKGMYQUGAOF-UHFFFAOYSA-N 1 2 272.352 2.416 40 0 CEABLO c1c[nH+]c(CNCc2cccnc2OC2CCCC2)[nH]1 ZINC000067669706 362917086 /nfs/dbraw/zinc/91/70/86/362917086.db2.gz GTFYKGMYQUGAOF-UHFFFAOYSA-N 1 2 272.352 2.416 40 0 CEABLO CNc1nc(Nc2c(F)cccc2F)cc(C2CC2)[nH+]1 ZINC000329005302 202148319 /nfs/dbraw/zinc/14/83/19/202148319.db2.gz KXTQMKJVMDNHPC-UHFFFAOYSA-N 1 2 276.290 2.261 40 0 CEABLO CC(C)Nc1cc(-c2cccnc2)[nH+]c(NC(C)C)n1 ZINC000329020408 202154262 /nfs/dbraw/zinc/15/42/62/202154262.db2.gz OCECHWVZDVVPKW-UHFFFAOYSA-N 1 2 271.368 2.023 40 0 CEABLO CNc1nc(Nc2ccccc2)cc(-c2ccncc2)[nH+]1 ZINC000329047782 202166416 /nfs/dbraw/zinc/16/64/16/202166416.db2.gz UHLYULQOTYCLQF-UHFFFAOYSA-N 1 2 277.331 2.168 40 0 CEABLO O=C1CC[C@@]2(c3ccc(Cl)cc3)[NH2+]CCCN12 ZINC000019947399 361570392 /nfs/dbraw/zinc/57/03/92/361570392.db2.gz ISVGLFPWWZUOQR-CYBMUJFWSA-N 1 2 250.729 2.109 40 0 CEABLO O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CCCCC1 ZINC000030872515 361704230 /nfs/dbraw/zinc/70/42/30/361704230.db2.gz OOHFRBIOPWHZJD-UHFFFAOYSA-N 1 2 288.391 2.145 40 0 CEABLO Cc1ccc(S[C@H](C)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000031852023 361720810 /nfs/dbraw/zinc/72/08/10/361720810.db2.gz UFDNCAZYLHSDJR-CYBMUJFWSA-N 1 2 278.421 2.250 40 0 CEABLO c1cnc(N2CCN(CC3CC3)c3[nH+]cccc3C2)nc1 ZINC000096198913 364408658 /nfs/dbraw/zinc/40/86/58/364408658.db2.gz IYYTWCSELKQXSE-UHFFFAOYSA-N 1 2 281.363 2.108 40 0 CEABLO CC(C)(C)OC(=O)N1C[C@H]2CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000207358829 370158111 /nfs/dbraw/zinc/15/81/11/370158111.db2.gz NXSHFQFSZKOPQC-CHWSQXEVSA-N 1 2 289.379 2.385 40 0 CEABLO c1csc(C[N@@H+]2CCN3C[C@@H](OCC4CC4)C[C@H]3C2)c1 ZINC000253588671 371529976 /nfs/dbraw/zinc/52/99/76/371529976.db2.gz NRAXYOAGABLPCC-GJZGRUSLSA-N 1 2 292.448 2.433 40 0 CEABLO c1csc(C[N@H+]2CCN3C[C@@H](OCC4CC4)C[C@H]3C2)c1 ZINC000253588671 371529982 /nfs/dbraw/zinc/52/99/82/371529982.db2.gz NRAXYOAGABLPCC-GJZGRUSLSA-N 1 2 292.448 2.433 40 0 CEABLO CCn1nccc1C[NH2+]Cc1ccn(CC(C)C)n1 ZINC000256050772 190002910 /nfs/dbraw/zinc/00/29/10/190002910.db2.gz GLLNUTVGQDDIEN-UHFFFAOYSA-N 1 2 261.373 2.045 40 0 CEABLO CCCn1cc(C[N@@H+]2CCO[C@@H](c3ccccn3)C2)cn1 ZINC000257203117 190011466 /nfs/dbraw/zinc/01/14/66/190011466.db2.gz AOTADLMUSHFNHJ-MRXNPFEDSA-N 1 2 286.379 2.262 40 0 CEABLO CCCn1cc(C[N@H+]2CCO[C@@H](c3ccccn3)C2)cn1 ZINC000257203117 190011467 /nfs/dbraw/zinc/01/14/67/190011467.db2.gz AOTADLMUSHFNHJ-MRXNPFEDSA-N 1 2 286.379 2.262 40 0 CEABLO Cc1ccc(C[N@@H+]2CCO[C@H](c3cnccn3)C2)s1 ZINC000257229348 190016042 /nfs/dbraw/zinc/01/60/42/190016042.db2.gz FXTGXFCCAKGURB-AWEZNQCLSA-N 1 2 275.377 2.420 40 0 CEABLO Cc1ccc(C[N@H+]2CCO[C@H](c3cnccn3)C2)s1 ZINC000257229348 190016043 /nfs/dbraw/zinc/01/60/43/190016043.db2.gz FXTGXFCCAKGURB-AWEZNQCLSA-N 1 2 275.377 2.420 40 0 CEABLO CCn1cc(C(=O)N2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000257228851 190016172 /nfs/dbraw/zinc/01/61/72/190016172.db2.gz FVOAHZUZFWOUJV-MRXNPFEDSA-N 1 2 298.390 2.032 40 0 CEABLO CCn1cc(C(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000257228851 190016173 /nfs/dbraw/zinc/01/61/73/190016173.db2.gz FVOAHZUZFWOUJV-MRXNPFEDSA-N 1 2 298.390 2.032 40 0 CEABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)CCc3cccnc3)C2)[nH+]1 ZINC000257221991 190015023 /nfs/dbraw/zinc/01/50/23/190015023.db2.gz DRKRDBCPKXRUMO-OAHLLOKOSA-N 1 2 298.390 2.452 40 0 CEABLO CCc1cc(C(=O)N2CCC[C@@H]2c2[nH+]c(C)cn2C)no1 ZINC000257248456 190020379 /nfs/dbraw/zinc/02/03/79/190020379.db2.gz JDTGFNVFFSEULZ-CYBMUJFWSA-N 1 2 288.351 2.256 40 0 CEABLO Cc1c[nH]c([C@H]2CCCN(S(=O)(=O)C3CCCC3)C2)[nH+]1 ZINC000257275358 190025037 /nfs/dbraw/zinc/02/50/37/190025037.db2.gz NOZKGALFEVTPEX-LBPRGKRZSA-N 1 2 297.424 2.170 40 0 CEABLO Cc1c[nH]c([C@@H]2CCC[N@@H+]2Cc2ccnc(C)n2)n1 ZINC000257294357 190028302 /nfs/dbraw/zinc/02/83/02/190028302.db2.gz QTSSATXXFQMTMN-ZDUSSCGKSA-N 1 2 257.341 2.154 40 0 CEABLO Cc1c[nH]c([C@@H]2CCC[N@H+]2Cc2ccnc(C)n2)n1 ZINC000257294357 190028303 /nfs/dbraw/zinc/02/83/03/190028303.db2.gz QTSSATXXFQMTMN-ZDUSSCGKSA-N 1 2 257.341 2.154 40 0 CEABLO Cc1c[nH]c([C@@H]2CCCN2Cc2ccnc(C)n2)[nH+]1 ZINC000257294357 190028304 /nfs/dbraw/zinc/02/83/04/190028304.db2.gz QTSSATXXFQMTMN-ZDUSSCGKSA-N 1 2 257.341 2.154 40 0 CEABLO CC(C)([NH3+])C(=O)N1C[C@@H]2[C@@H](Cc3ccccc3)CC[C@@H]2C1 ZINC000257322757 190034091 /nfs/dbraw/zinc/03/40/91/190034091.db2.gz WHHKDVAHIJDNKA-BZUAXINKSA-N 1 2 286.419 2.451 40 0 CEABLO CCCC(=O)N1CCn2cc(CNc3cccc[nH+]3)nc2C1 ZINC000096197522 256817940 /nfs/dbraw/zinc/81/79/40/256817940.db2.gz CYNDSSKATLFHPM-UHFFFAOYSA-N 1 2 299.378 2.033 40 0 CEABLO O=CN1CCCC[C@H]1c1ccc[nH+]c1N1CCCC1 ZINC000072216014 394592814 /nfs/dbraw/zinc/59/28/14/394592814.db2.gz UZGXDMJJLWAEQD-AWEZNQCLSA-N 1 2 259.353 2.365 40 0 CEABLO COc1cccc(NCCc2nc([C@H]([NH3+])C(C)C)n[nH]2)c1 ZINC000095534745 394673613 /nfs/dbraw/zinc/67/36/13/394673613.db2.gz KAIWZTIPMIZNCY-CQSZACIVSA-N 1 2 289.383 2.124 40 0 CEABLO C[C@@H]1CN(NC(=O)c2ccccc2)C(c2ccccc2)=[NH+]1 ZINC000006175704 170180858 /nfs/dbraw/zinc/18/08/58/170180858.db2.gz VIBXFMUNILMBQO-CYBMUJFWSA-N 1 2 279.343 2.482 40 0 CEABLO CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2cccc(O)c2)C1 ZINC000022016144 171349537 /nfs/dbraw/zinc/34/95/37/171349537.db2.gz RSPKBJLYYKOYLJ-ZDUSSCGKSA-N 1 2 278.352 2.274 40 0 CEABLO CNc1ncccc1C[N@@H+]1CCC[C@H]1c1n[nH]cc1C ZINC000072364460 176379804 /nfs/dbraw/zinc/37/98/04/176379804.db2.gz MIHMXLHDFFVHLT-ZDUSSCGKSA-N 1 2 271.368 2.492 40 0 CEABLO CNc1ncccc1C[N@H+]1CCC[C@H]1c1n[nH]cc1C ZINC000072364460 176379805 /nfs/dbraw/zinc/37/98/05/176379805.db2.gz MIHMXLHDFFVHLT-ZDUSSCGKSA-N 1 2 271.368 2.492 40 0 CEABLO CNc1ncccc1C[N@@H+]1CCC[C@H]1c1[nH]ncc1C ZINC000072364460 176379806 /nfs/dbraw/zinc/37/98/06/176379806.db2.gz MIHMXLHDFFVHLT-ZDUSSCGKSA-N 1 2 271.368 2.492 40 0 CEABLO CNc1ncccc1C[N@H+]1CCC[C@H]1c1[nH]ncc1C ZINC000072364460 176379807 /nfs/dbraw/zinc/37/98/07/176379807.db2.gz MIHMXLHDFFVHLT-ZDUSSCGKSA-N 1 2 271.368 2.492 40 0 CEABLO COc1cccc(-c2cc([C@H]3COCC[NH2+]3)nc(C)n2)c1 ZINC000072366328 176381379 /nfs/dbraw/zinc/38/13/79/176381379.db2.gz YDXSOZMUXIZCNQ-MRXNPFEDSA-N 1 2 285.347 2.122 40 0 CEABLO Cc1ccc(C)c2nc3c(cc12)C[N@H+](CCO)CCO3 ZINC000072389363 176394161 /nfs/dbraw/zinc/39/41/61/176394161.db2.gz CGPRXKPLZJECFJ-UHFFFAOYSA-N 1 2 272.348 2.038 40 0 CEABLO Cc1ccc(C)c2nc3c(cc12)C[N@@H+](CCO)CCO3 ZINC000072389363 176394163 /nfs/dbraw/zinc/39/41/63/176394163.db2.gz CGPRXKPLZJECFJ-UHFFFAOYSA-N 1 2 272.348 2.038 40 0 CEABLO COCc1nc(CCn2c(C)[nH+]c3ccccc32)no1 ZINC000076556471 177037909 /nfs/dbraw/zinc/03/79/09/177037909.db2.gz ZMGQTSOYBXXPBY-UHFFFAOYSA-N 1 2 272.308 2.117 40 0 CEABLO CCN(CC)C(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000038832596 260132254 /nfs/dbraw/zinc/13/22/54/260132254.db2.gz CZAGGCBGMORHGM-UHFFFAOYSA-N 1 2 276.380 2.001 40 0 CEABLO CCOC(=O)c1c[nH+]c2ccc(CC)cc2c1NCCO ZINC000062719739 521576607 /nfs/dbraw/zinc/57/66/07/521576607.db2.gz PLTJWAPYHAXYHX-UHFFFAOYSA-N 1 2 288.347 2.378 40 0 CEABLO [NH3+][C@H](c1nnc(-c2ccc(O)cc2)[nH]1)c1ccccc1 ZINC000095533404 185006243 /nfs/dbraw/zinc/00/62/43/185006243.db2.gz VSVYWFQLPJGKDH-ZDUSSCGKSA-N 1 2 266.304 2.225 40 0 CEABLO [NH3+][C@H](c1nc(-c2ccc(O)cc2)n[nH]1)c1ccccc1 ZINC000095533404 185006245 /nfs/dbraw/zinc/00/62/45/185006245.db2.gz VSVYWFQLPJGKDH-ZDUSSCGKSA-N 1 2 266.304 2.225 40 0 CEABLO COC[C@@H]1C[N@H+](Cc2ccc(F)cc2)Cc2nn(C)cc21 ZINC000096060363 185081974 /nfs/dbraw/zinc/08/19/74/185081974.db2.gz CMKABRMLSGSIGL-ZDUSSCGKSA-N 1 2 289.354 2.305 40 0 CEABLO COC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)Cc2nn(C)cc21 ZINC000096060363 185081975 /nfs/dbraw/zinc/08/19/75/185081975.db2.gz CMKABRMLSGSIGL-ZDUSSCGKSA-N 1 2 289.354 2.305 40 0 CEABLO COCc1cnc2n1CC[N@@H+](Cc1cccnc1)[C@@H]2C ZINC000096109528 185100171 /nfs/dbraw/zinc/10/01/71/185100171.db2.gz CYFMGKXJWORBOP-GFCCVEGCSA-N 1 2 272.352 2.001 40 0 CEABLO COCc1cnc2n1CC[N@H+](Cc1cccnc1)[C@@H]2C ZINC000096109528 185100173 /nfs/dbraw/zinc/10/01/73/185100173.db2.gz CYFMGKXJWORBOP-GFCCVEGCSA-N 1 2 272.352 2.001 40 0 CEABLO CS[C@@H]1Nc2sc3c(c2C(=[NH2+])N1)CC(C)(C)OC3 ZINC000036618869 361848240 /nfs/dbraw/zinc/84/82/40/361848240.db2.gz RNKKJFZSAMKBEY-NSHDSACASA-N 1 2 283.422 2.377 40 0 CEABLO CS[C@H]1Nc2sc3c(c2C(=[NH2+])N1)CC(C)(C)OC3 ZINC000036618870 361847733 /nfs/dbraw/zinc/84/77/33/361847733.db2.gz RNKKJFZSAMKBEY-LLVKDONJSA-N 1 2 283.422 2.377 40 0 CEABLO Clc1nccc(N2CC[NH+](Cc3ccco3)CC2)n1 ZINC000038579625 361986841 /nfs/dbraw/zinc/98/68/41/361986841.db2.gz YDWFVDOJIKOUHS-UHFFFAOYSA-N 1 2 278.743 2.045 40 0 CEABLO OCC1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000050104705 362400860 /nfs/dbraw/zinc/40/08/60/362400860.db2.gz GNXHBKYTYYPOTL-UHFFFAOYSA-N 1 2 274.158 2.246 40 0 CEABLO CC(C)[N@H+]1Cc2ccnn2[C@@H](COc2ccccn2)C1 ZINC000585112315 345005836 /nfs/dbraw/zinc/00/58/36/345005836.db2.gz OKNVXEMASOTDSY-CQSZACIVSA-N 1 2 272.352 2.122 40 0 CEABLO CC(C)[N@@H+]1Cc2ccnn2[C@@H](COc2ccccn2)C1 ZINC000585112315 345005838 /nfs/dbraw/zinc/00/58/38/345005838.db2.gz OKNVXEMASOTDSY-CQSZACIVSA-N 1 2 272.352 2.122 40 0 CEABLO CC1(C)CC2(CO1)CCN(C(=O)C=Cc1c[nH]c[nH+]1)CC2 ZINC000585291140 345010451 /nfs/dbraw/zinc/01/04/51/345010451.db2.gz KVVIXLDKTGXFBX-ONEGZZNKSA-N 1 2 289.379 2.231 40 0 CEABLO C[N@@H+]1CCO[C@H](COc2cccc(Br)c2)C1 ZINC000092056775 180313773 /nfs/dbraw/zinc/31/37/73/180313773.db2.gz QJIOSZRRPYTKIW-LBPRGKRZSA-N 1 2 286.169 2.159 40 0 CEABLO C[N@H+]1CCO[C@H](COc2cccc(Br)c2)C1 ZINC000092056775 180313776 /nfs/dbraw/zinc/31/37/76/180313776.db2.gz QJIOSZRRPYTKIW-LBPRGKRZSA-N 1 2 286.169 2.159 40 0 CEABLO CCOC(=O)CC[C@H]1C[N@H+](Cc2ccccc2)CCC1=O ZINC000087489347 363856969 /nfs/dbraw/zinc/85/69/69/363856969.db2.gz WYOSZIUQEVKRJH-HNNXBMFYSA-N 1 2 289.375 2.421 40 0 CEABLO CCOC(=O)CC[C@H]1C[N@@H+](Cc2ccccc2)CCC1=O ZINC000087489347 363856974 /nfs/dbraw/zinc/85/69/74/363856974.db2.gz WYOSZIUQEVKRJH-HNNXBMFYSA-N 1 2 289.375 2.421 40 0 CEABLO CO[C@@H]1CSC2(C[NH+](Cc3nc(C)cs3)C2)C1 ZINC000247979332 371152597 /nfs/dbraw/zinc/15/25/97/371152597.db2.gz WJQMUXGBWLSAPG-JTQLQIEISA-N 1 2 270.423 2.158 40 0 CEABLO c1cc2n(n1)[C@@H](COc1cccnc1)C[N@H+](CC1CC1)C2 ZINC000253596328 371530764 /nfs/dbraw/zinc/53/07/64/371530764.db2.gz PZTKQMOXFHPCGO-OAHLLOKOSA-N 1 2 284.363 2.124 40 0 CEABLO c1cc2n(n1)[C@@H](COc1cccnc1)C[N@@H+](CC1CC1)C2 ZINC000253596328 371530772 /nfs/dbraw/zinc/53/07/72/371530772.db2.gz PZTKQMOXFHPCGO-OAHLLOKOSA-N 1 2 284.363 2.124 40 0 CEABLO c1cc2n(n1)C[C@H](OCC1CC1)C[N@@H+](Cc1cccnc1)C2 ZINC000253601493 371532323 /nfs/dbraw/zinc/53/23/23/371532323.db2.gz BIQYGBDGZKPHIF-QGZVFWFLSA-N 1 2 298.390 2.089 40 0 CEABLO c1cc2n(n1)C[C@H](OCC1CC1)C[N@H+](Cc1cccnc1)C2 ZINC000253601493 371532335 /nfs/dbraw/zinc/53/23/35/371532335.db2.gz BIQYGBDGZKPHIF-QGZVFWFLSA-N 1 2 298.390 2.089 40 0 CEABLO Cc1c[nH]c([C@H]2COCCN2Cc2ccsc2)[nH+]1 ZINC000257299353 291619593 /nfs/dbraw/zinc/61/95/93/291619593.db2.gz RPRHVEIFUQUMAH-GFCCVEGCSA-N 1 2 263.366 2.353 40 0 CEABLO CCCn1ccc(C[NH2+]Cc2ccnn2C(F)F)n1 ZINC000256054726 190005520 /nfs/dbraw/zinc/00/55/20/190005520.db2.gz XMSRFYYOLRQAOS-UHFFFAOYSA-N 1 2 269.299 2.175 40 0 CEABLO Cc1c[nH]c([C@H]2CCCN2C(=O)Cc2c(C)noc2C)[nH+]1 ZINC000257236418 190017632 /nfs/dbraw/zinc/01/76/32/190017632.db2.gz HCBOFFYZSBNUEA-CYBMUJFWSA-N 1 2 288.351 2.229 40 0 CEABLO Cc1cn(C)c([C@@H]2C[N@H+](Cc3ccc(C)nc3)CCO2)n1 ZINC000257242812 190018213 /nfs/dbraw/zinc/01/82/13/190018213.db2.gz IEGGXVWRNXTKBK-HNNXBMFYSA-N 1 2 286.379 2.005 40 0 CEABLO Cc1cn(C)c([C@@H]2C[N@@H+](Cc3ccc(C)nc3)CCO2)n1 ZINC000257242812 190018214 /nfs/dbraw/zinc/01/82/14/190018214.db2.gz IEGGXVWRNXTKBK-HNNXBMFYSA-N 1 2 286.379 2.005 40 0 CEABLO Cc1c[nH]nc1[C@@H]1CCCC[N@H+]1Cc1cnn(C)c1 ZINC000257241684 190018747 /nfs/dbraw/zinc/01/87/47/190018747.db2.gz HZCXQNHJVWPOKE-ZDUSSCGKSA-N 1 2 259.357 2.179 40 0 CEABLO Cc1c[nH]nc1[C@@H]1CCCC[N@@H+]1Cc1cnn(C)c1 ZINC000257241684 190018748 /nfs/dbraw/zinc/01/87/48/190018748.db2.gz HZCXQNHJVWPOKE-ZDUSSCGKSA-N 1 2 259.357 2.179 40 0 CEABLO Cc1cn[nH]c1[C@@H]1CCCC[N@H+]1Cc1cnn(C)c1 ZINC000257241684 190018749 /nfs/dbraw/zinc/01/87/49/190018749.db2.gz HZCXQNHJVWPOKE-ZDUSSCGKSA-N 1 2 259.357 2.179 40 0 CEABLO Cc1cn[nH]c1[C@@H]1CCCC[N@@H+]1Cc1cnn(C)c1 ZINC000257241684 190018750 /nfs/dbraw/zinc/01/87/50/190018750.db2.gz HZCXQNHJVWPOKE-ZDUSSCGKSA-N 1 2 259.357 2.179 40 0 CEABLO CC(=O)N1CCC[C@@H]1c1cccc(-c2c[nH+]c(C)n2C)n1 ZINC000257249985 190020051 /nfs/dbraw/zinc/02/00/51/190020051.db2.gz JKNPCWRGUKMPCO-OAHLLOKOSA-N 1 2 284.363 2.474 40 0 CEABLO Cc1c[nH]c([C@H]2CCN(S(=O)(=O)C3CCCCC3)C2)[nH+]1 ZINC000257277455 190025160 /nfs/dbraw/zinc/02/51/60/190025160.db2.gz NYARZCGXQIJRNN-LBPRGKRZSA-N 1 2 297.424 2.170 40 0 CEABLO CN(C)c1cc([C@@H]2CCCN2C(=O)c2cnco2)cc[nH+]1 ZINC000257299249 190029172 /nfs/dbraw/zinc/02/91/72/190029172.db2.gz RPHCMGABYKXDKJ-LBPRGKRZSA-N 1 2 286.335 2.113 40 0 CEABLO CN(C)c1cncc([C@H]2CCC[N@@H+]2Cc2nccs2)n1 ZINC000257308591 190030954 /nfs/dbraw/zinc/03/09/54/190030954.db2.gz TXHPRACESGAUPX-GFCCVEGCSA-N 1 2 289.408 2.336 40 0 CEABLO CN(C)c1cncc([C@H]2CCC[N@H+]2Cc2nccs2)n1 ZINC000257308591 190030955 /nfs/dbraw/zinc/03/09/55/190030955.db2.gz TXHPRACESGAUPX-GFCCVEGCSA-N 1 2 289.408 2.336 40 0 CEABLO O=C(c1cnco1)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257334239 190035816 /nfs/dbraw/zinc/03/58/16/190035816.db2.gz YFDCLMBQBYGNFX-CYBMUJFWSA-N 1 2 294.314 2.268 40 0 CEABLO CCn1cc(CNc2cc(N3CCCCC3)nc[nH+]2)cn1 ZINC000286384051 375935538 /nfs/dbraw/zinc/93/55/38/375935538.db2.gz NGXDLCIZWKLCCG-UHFFFAOYSA-N 1 2 286.383 2.295 40 0 CEABLO CCn1cc(CNc2cc(N3CCCCC3)[nH+]cn2)cn1 ZINC000286384051 375935543 /nfs/dbraw/zinc/93/55/43/375935543.db2.gz NGXDLCIZWKLCCG-UHFFFAOYSA-N 1 2 286.383 2.295 40 0 CEABLO CNc1cc(CC2CCN(c3cc(C)[nH+]cn3)CC2)ncn1 ZINC000072364139 134986789 /nfs/dbraw/zinc/98/67/89/134986789.db2.gz JOWUSNXLNRAIEN-UHFFFAOYSA-N 1 2 298.394 2.076 40 0 CEABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccco1 ZINC000020039653 394470801 /nfs/dbraw/zinc/47/08/01/394470801.db2.gz IGPBWUSPLUNTRC-UHFFFAOYSA-N 1 2 267.288 2.395 40 0 CEABLO Cc1cc(N2CCC(c3ccnc(C)n3)CC2)nc[nH+]1 ZINC000072385534 394598593 /nfs/dbraw/zinc/59/85/93/394598593.db2.gz KQWDABHNTOPMMC-UHFFFAOYSA-N 1 2 269.352 2.267 40 0 CEABLO Cc1cccn2cc(CNC(=O)COc3ccccc3)[nH+]c12 ZINC000002960839 169846210 /nfs/dbraw/zinc/84/62/10/169846210.db2.gz MCNVQXCFPBJZAL-UHFFFAOYSA-N 1 2 295.342 2.338 40 0 CEABLO Cc1cc(N)nc([C@]2(C)CCCN2c2cccc[nH+]2)n1 ZINC000072388367 176393293 /nfs/dbraw/zinc/39/32/93/176393293.db2.gz KSLGCLAIXYORGV-HNNXBMFYSA-N 1 2 269.352 2.278 40 0 CEABLO Cc1ncc(C[N@@H+]2C[C@@H]3ON=C(c4ccccc4)[C@H]3C2)cn1 ZINC000247969535 334292624 /nfs/dbraw/zinc/29/26/24/334292624.db2.gz RPJVEQCKAHAXDC-HOTGVXAUSA-N 1 2 294.358 2.020 40 0 CEABLO Cc1ncc(C[N@H+]2C[C@@H]3ON=C(c4ccccc4)[C@H]3C2)cn1 ZINC000247969535 334292625 /nfs/dbraw/zinc/29/26/25/334292625.db2.gz RPJVEQCKAHAXDC-HOTGVXAUSA-N 1 2 294.358 2.020 40 0 CEABLO O=C(C[NH+]1Cc2ccccc2C1)NCCc1ccccc1 ZINC000106304956 534557978 /nfs/dbraw/zinc/55/79/78/534557978.db2.gz QPPRFYKTCHZSHJ-UHFFFAOYSA-N 1 2 280.371 2.361 40 0 CEABLO