smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)C1CC[NH+](Cc2nnnn2C2CCCCC2)CC1 ZINC000000413517 347946674 /nfs/dbraw/zinc/94/66/74/347946674.db2.gz XHWZALBPCGMABY-UHFFFAOYSA-N 1 2 292.387 0.876 40 0 CCABLO CCc1ncc(C[N@@H+]2CCO[C@](C)(C(=O)N(C)C)C2)cn1 ZINC000019746895 348069293 /nfs/dbraw/zinc/06/92/93/348069293.db2.gz SZOVHNRGDHZMMQ-HNNXBMFYSA-N 1 2 292.383 0.718 40 0 CCABLO CCc1ncc(C[N@H+]2CCO[C@](C)(C(=O)N(C)C)C2)cn1 ZINC000019746895 348069295 /nfs/dbraw/zinc/06/92/95/348069295.db2.gz SZOVHNRGDHZMMQ-HNNXBMFYSA-N 1 2 292.383 0.718 40 0 CCABLO COCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccco3)C[C@@H]21 ZINC000108531174 186221838 /nfs/dbraw/zinc/22/18/38/186221838.db2.gz WKHRNWXJAGMOEB-STQMWFEESA-N 1 2 294.351 0.841 40 0 CCABLO COCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccco3)C[C@@H]21 ZINC000108531174 186221840 /nfs/dbraw/zinc/22/18/40/186221840.db2.gz WKHRNWXJAGMOEB-STQMWFEESA-N 1 2 294.351 0.841 40 0 CCABLO CCNC(=O)c1ccc(NCC[NH+]2CCOCC2)c(N)c1 ZINC000212689161 351930512 /nfs/dbraw/zinc/93/05/12/351930512.db2.gz CGEXPPNPVQAKPF-UHFFFAOYSA-N 1 2 292.383 0.763 40 0 CCABLO CNC(=O)[C@H]1CN(c2cnccn2)CC[N@@H+]1C(C)C ZINC000257330442 352552837 /nfs/dbraw/zinc/55/28/37/352552837.db2.gz XOLNUNPBNMAGFA-LLVKDONJSA-N 1 2 263.345 0.122 40 0 CCABLO CNC(=O)[C@H]1CN(c2cnccn2)CC[N@H+]1C(C)C ZINC000257330442 352552840 /nfs/dbraw/zinc/55/28/40/352552840.db2.gz XOLNUNPBNMAGFA-LLVKDONJSA-N 1 2 263.345 0.122 40 0 CCABLO CNc1cc(-c2ccncc2)[nH+]c(NCCCO)n1 ZINC000328966924 202133046 /nfs/dbraw/zinc/13/30/46/202133046.db2.gz COUWQUASQZOFSV-UHFFFAOYSA-N 1 2 259.313 0.218 40 0 CCABLO COCc1nnc2n1CC[N@@H+](Cc1cn[nH]c1)[C@@H]2C ZINC000585097270 359248048 /nfs/dbraw/zinc/24/80/48/359248048.db2.gz JNKWAXHSOBNBDQ-SECBINFHSA-N 1 2 262.317 0.724 40 0 CCABLO COCc1nnc2n1CC[N@H+](Cc1cn[nH]c1)[C@@H]2C ZINC000585097270 359248053 /nfs/dbraw/zinc/24/80/53/359248053.db2.gz JNKWAXHSOBNBDQ-SECBINFHSA-N 1 2 262.317 0.724 40 0 CCABLO C[N@H+]1Cc2ccnn2[C@H](CCNS(=O)(=O)C2CC2)C1 ZINC000585112172 359250757 /nfs/dbraw/zinc/25/07/57/359250757.db2.gz KIEOMLGYWPFQBX-LLVKDONJSA-N 1 2 284.385 0.342 40 0 CCABLO C[N@@H+]1Cc2ccnn2[C@H](CCNS(=O)(=O)C2CC2)C1 ZINC000585112172 359250760 /nfs/dbraw/zinc/25/07/60/359250760.db2.gz KIEOMLGYWPFQBX-LLVKDONJSA-N 1 2 284.385 0.342 40 0 CCABLO CNC(=O)[C@H]1CN(C(=O)c2ccccn2)CC[N@@H+]1C(C)C ZINC000257220426 190014848 /nfs/dbraw/zinc/01/48/48/190014848.db2.gz DKUXVCCBDCSDTR-CYBMUJFWSA-N 1 2 290.367 0.362 40 0 CCABLO CNC(=O)[C@H]1CN(C(=O)c2ccccn2)CC[N@H+]1C(C)C ZINC000257220426 190014849 /nfs/dbraw/zinc/01/48/49/190014849.db2.gz DKUXVCCBDCSDTR-CYBMUJFWSA-N 1 2 290.367 0.362 40 0 CCABLO O[C@H]1CCCOC12CC[NH+](Cc1cnc[nH]1)CC2 ZINC000257235379 190017308 /nfs/dbraw/zinc/01/73/08/190017308.db2.gz GXOXKUMDCDGZSW-LBPRGKRZSA-N 1 2 251.330 0.916 40 0 CCABLO CC(=O)N1CC[NH2+][C@H](C(=O)NCCc2ccccc2)C1 ZINC000257258890 190021486 /nfs/dbraw/zinc/02/14/86/190021486.db2.gz KVXODZADNQDSGM-AWEZNQCLSA-N 1 2 275.352 0.166 40 0 CCABLO CNC(=O)[C@H]1CN(C(C)=O)CC[N@H+](Cc2cc(C)on2)C1 ZINC000257288833 190027281 /nfs/dbraw/zinc/02/72/81/190027281.db2.gz PVWZVEFNCIPCLY-GFCCVEGCSA-N 1 2 294.355 0.009 40 0 CCABLO CNC(=O)[C@H]1CN(C(C)=O)CC[N@@H+](Cc2cc(C)on2)C1 ZINC000257288833 190027282 /nfs/dbraw/zinc/02/72/82/190027282.db2.gz PVWZVEFNCIPCLY-GFCCVEGCSA-N 1 2 294.355 0.009 40 0 CCABLO Cn1nccc1C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257324276 190033917 /nfs/dbraw/zinc/03/39/17/190033917.db2.gz WNYNTHINMVWRAM-STQMWFEESA-N 1 2 251.330 0.536 40 0 CCABLO Cn1nccc1C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257324276 190033918 /nfs/dbraw/zinc/03/39/18/190033918.db2.gz WNYNTHINMVWRAM-STQMWFEESA-N 1 2 251.330 0.536 40 0 CCABLO COc1ccccc1[C@H]1CN(S(C)(=O)=O)CC[N@@H+]1C ZINC000036132224 388840102 /nfs/dbraw/zinc/84/01/02/388840102.db2.gz HZBQZLSRESGDNW-GFCCVEGCSA-N 1 2 284.381 0.943 40 0 CCABLO COc1ccccc1[C@H]1CN(S(C)(=O)=O)CC[N@H+]1C ZINC000036132224 388840108 /nfs/dbraw/zinc/84/01/08/388840108.db2.gz HZBQZLSRESGDNW-GFCCVEGCSA-N 1 2 284.381 0.943 40 0 CCABLO COc1ccccc1[C@@H]1CN(S(C)(=O)=O)CC[N@@H+]1C ZINC000169853011 397418946 /nfs/dbraw/zinc/41/89/46/397418946.db2.gz HZBQZLSRESGDNW-LBPRGKRZSA-N 1 2 284.381 0.943 40 0 CCABLO COc1ccccc1[C@@H]1CN(S(C)(=O)=O)CC[N@H+]1C ZINC000169853011 397418949 /nfs/dbraw/zinc/41/89/49/397418949.db2.gz HZBQZLSRESGDNW-LBPRGKRZSA-N 1 2 284.381 0.943 40 0 CCABLO Cc1[nH+]ccn1-c1cncc([C@H]2CCCN2CC(N)=O)n1 ZINC000072355653 176375181 /nfs/dbraw/zinc/37/51/81/176375181.db2.gz FXGIBKKVPITJBP-GFCCVEGCSA-N 1 2 286.339 0.593 40 0 CCABLO O[C@@H](C[NH+]1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000019785015 348070034 /nfs/dbraw/zinc/07/00/34/348070034.db2.gz KQLFMJGLIOYGBR-LBPRGKRZSA-N 1 2 265.309 0.823 40 0 CCABLO C[C@@H]1C[NH+](Cc2ccnc(N3CCOCC3)n2)C[C@@H](C)O1 ZINC000072397383 348922338 /nfs/dbraw/zinc/92/23/38/348922338.db2.gz QZGYJJNJDSSZEK-CHWSQXEVSA-N 1 2 292.383 0.922 40 0 CCABLO COCC(=O)NC[C@@H]1C[N@@H+](C(C)C)Cc2cncn21 ZINC000248025990 352430420 /nfs/dbraw/zinc/43/04/20/352430420.db2.gz WGQGHZDZMBNLBY-GFCCVEGCSA-N 1 2 266.345 0.411 40 0 CCABLO COCC(=O)NC[C@@H]1C[N@H+](C(C)C)Cc2cncn21 ZINC000248025990 352430423 /nfs/dbraw/zinc/43/04/23/352430423.db2.gz WGQGHZDZMBNLBY-GFCCVEGCSA-N 1 2 266.345 0.411 40 0 CCABLO COCC(=O)NC[C@@H]1CN(C(C)C)Cc2c[nH+]cn21 ZINC000248025990 352430426 /nfs/dbraw/zinc/43/04/26/352430426.db2.gz WGQGHZDZMBNLBY-GFCCVEGCSA-N 1 2 266.345 0.411 40 0 CCABLO Cc1ncsc1C[N@@H+]1C[C@@H]2NC(=O)CO[C@H]2C1 ZINC000257260841 352551767 /nfs/dbraw/zinc/55/17/67/352551767.db2.gz LEQWDAHCPZMTGT-IUCAKERBSA-N 1 2 253.327 0.151 40 0 CCABLO Cc1ncsc1C[N@H+]1C[C@@H]2NC(=O)CO[C@H]2C1 ZINC000257260841 352551769 /nfs/dbraw/zinc/55/17/69/352551769.db2.gz LEQWDAHCPZMTGT-IUCAKERBSA-N 1 2 253.327 0.151 40 0 CCABLO CNC(=O)[C@H]1CN(C(=O)C(C)C)CC[N@@H+]1C(C)C ZINC000257312621 352553050 /nfs/dbraw/zinc/55/30/50/352553050.db2.gz UOVDHQDCNKNNDF-LLVKDONJSA-N 1 2 255.362 0.310 40 0 CCABLO CNC(=O)[C@H]1CN(C(=O)C(C)C)CC[N@H+]1C(C)C ZINC000257312621 352553054 /nfs/dbraw/zinc/55/30/54/352553054.db2.gz UOVDHQDCNKNNDF-LLVKDONJSA-N 1 2 255.362 0.310 40 0 CCABLO C[N@H+]1Cc2ccnn2[C@@H](CNC(=O)N2CCCC2)C1 ZINC000306142451 354173546 /nfs/dbraw/zinc/17/35/46/354173546.db2.gz WZMHXHWLKOUXFT-LBPRGKRZSA-N 1 2 263.345 0.675 40 0 CCABLO C[N@@H+]1Cc2ccnn2[C@@H](CNC(=O)N2CCCC2)C1 ZINC000306142451 354173551 /nfs/dbraw/zinc/17/35/51/354173551.db2.gz WZMHXHWLKOUXFT-LBPRGKRZSA-N 1 2 263.345 0.675 40 0 CCABLO CC(C)C(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCC2CC2)C1 ZINC000585096001 359247461 /nfs/dbraw/zinc/24/74/61/359247461.db2.gz XSKDEKLDJRCZAH-CYBMUJFWSA-N 1 2 290.367 0.949 40 0 CCABLO CNC(=O)[C@H]1COC2(CN(C3CCC3)C2)C[N@@H+]1CC1CC1 ZINC000585109354 359249108 /nfs/dbraw/zinc/24/91/08/359249108.db2.gz LRCAPTNYFRKILJ-CQSZACIVSA-N 1 2 293.411 0.450 40 0 CCABLO CNC(=O)[C@H]1COC2(CN(C3CCC3)C2)C[N@H+]1CC1CC1 ZINC000585109354 359249113 /nfs/dbraw/zinc/24/91/13/359249113.db2.gz LRCAPTNYFRKILJ-CQSZACIVSA-N 1 2 293.411 0.450 40 0 CCABLO CC(C)[N@H+]1Cc2ccnn2[C@@H](CCNS(C)(=O)=O)C1 ZINC000585112151 359250730 /nfs/dbraw/zinc/25/07/30/359250730.db2.gz JGEHFEUWFVHULK-LBPRGKRZSA-N 1 2 286.401 0.588 40 0 CCABLO CC(C)[N@@H+]1Cc2ccnn2[C@@H](CCNS(C)(=O)=O)C1 ZINC000585112151 359250732 /nfs/dbraw/zinc/25/07/32/359250732.db2.gz JGEHFEUWFVHULK-LBPRGKRZSA-N 1 2 286.401 0.588 40 0 CCABLO CCCS(=O)(=O)NC[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257210762 190012117 /nfs/dbraw/zinc/01/21/17/190012117.db2.gz BWBDQEIQUFCVQT-CYBMUJFWSA-N 1 2 299.396 0.352 40 0 CCABLO Cc1c[nH]c([C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC000257226687 190015582 /nfs/dbraw/zinc/01/55/82/190015582.db2.gz FLRITLINZOOTEI-NSHDSACASA-N 1 2 259.313 0.931 40 0 CCABLO COCCC(=O)NC[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257263347 190022320 /nfs/dbraw/zinc/02/23/20/190022320.db2.gz LPLHXZWJMBGFQQ-CQSZACIVSA-N 1 2 279.340 0.176 40 0 CCABLO Cc1nc([C@H]2C[N@H+](Cc3cnn(C)c3)CCO2)cc(=O)[nH]1 ZINC000257308151 190030903 /nfs/dbraw/zinc/03/09/03/190030903.db2.gz TVPYLAFSQWZTBQ-CYBMUJFWSA-N 1 2 289.339 0.798 40 0 CCABLO Cc1nc([C@H]2C[N@@H+](Cc3cnn(C)c3)CCO2)cc(=O)[nH]1 ZINC000257308151 190030904 /nfs/dbraw/zinc/03/09/04/190030904.db2.gz TVPYLAFSQWZTBQ-CYBMUJFWSA-N 1 2 289.339 0.798 40 0 CCABLO COCC[N@@H+]1CCO[C@@H](c2nc(C)cc(=O)[nH]2)C1 ZINC000257315733 190032560 /nfs/dbraw/zinc/03/25/60/190032560.db2.gz VCNZQNTVSCZSIB-SNVBAGLBSA-N 1 2 253.302 0.510 40 0 CCABLO COCC[N@H+]1CCO[C@@H](c2nc(C)cc(=O)[nH]2)C1 ZINC000257315733 190032561 /nfs/dbraw/zinc/03/25/61/190032561.db2.gz VCNZQNTVSCZSIB-SNVBAGLBSA-N 1 2 253.302 0.510 40 0 CCABLO COC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000024256462 388807321 /nfs/dbraw/zinc/80/73/21/388807321.db2.gz LMKSOKDDRYIVJY-UHFFFAOYSA-N 1 2 298.364 0.409 40 0 CCABLO COc1cccc(OCC(=O)NCC[NH+]2CCOCC2)c1 ZINC000048384572 388891571 /nfs/dbraw/zinc/89/15/71/388891571.db2.gz UFJIOTVHXQMULU-UHFFFAOYSA-N 1 2 294.351 0.522 40 0 CCABLO CC(C)[N@@H+]1CCN(C(=O)c2cncs2)[C@@H](C(N)=O)C1 ZINC000072368432 388961401 /nfs/dbraw/zinc/96/14/01/388961401.db2.gz DLKVBNSDYHOIDF-SECBINFHSA-N 1 2 282.369 0.163 40 0 CCABLO CC(C)[N@H+]1CCN(C(=O)c2cncs2)[C@@H](C(N)=O)C1 ZINC000072368432 388961405 /nfs/dbraw/zinc/96/14/05/388961405.db2.gz DLKVBNSDYHOIDF-SECBINFHSA-N 1 2 282.369 0.163 40 0 CCABLO OC1(C[N@@H+]2CCOC[C@@H]2c2cc[nH]n2)CCOCC1 ZINC000257253122 389269680 /nfs/dbraw/zinc/26/96/80/389269680.db2.gz JXQXYHPGCYOZAE-GFCCVEGCSA-N 1 2 267.329 0.325 40 0 CCABLO OC1(C[N@H+]2CCOC[C@@H]2c2cc[nH]n2)CCOCC1 ZINC000257253122 389269683 /nfs/dbraw/zinc/26/96/83/389269683.db2.gz JXQXYHPGCYOZAE-GFCCVEGCSA-N 1 2 267.329 0.325 40 0 CCABLO NC(=O)CSC1=[NH+][C@@H]2C=Cc3nsnc3[C@H]2N1 ZINC000006613363 170219060 /nfs/dbraw/zinc/21/90/60/170219060.db2.gz VUWFSIGZWLMWLZ-FBCQKBJTSA-N 1 2 267.339 0.152 40 0 CCABLO CN(C)c1ccc([C@@H]2C[N@H+](CCO)CCO2)nc1 ZINC000072381350 176387463 /nfs/dbraw/zinc/38/74/63/176387463.db2.gz NSLJXGRFTBQDQM-ZDUSSCGKSA-N 1 2 251.330 0.513 40 0 CCABLO CN(C)c1ccc([C@@H]2C[N@@H+](CCO)CCO2)nc1 ZINC000072381350 176387464 /nfs/dbraw/zinc/38/74/64/176387464.db2.gz NSLJXGRFTBQDQM-ZDUSSCGKSA-N 1 2 251.330 0.513 40 0 CCABLO Cc1nc2ncc(C(=O)N3CC[NH+](C)CC3)c(C)n2n1 ZINC000014608469 293556930 /nfs/dbraw/zinc/55/69/30/293556930.db2.gz ZTPOCWKFZSXHHB-UHFFFAOYSA-N 1 2 274.328 0.129 40 0 CCABLO CNC(=O)[C@@H]1CN(Cc2ccncc2)CC[N@@H+]1C(C)C ZINC000248013932 334293551 /nfs/dbraw/zinc/29/35/51/334293551.db2.gz SAFFMICMSMZWLR-AWEZNQCLSA-N 1 2 276.384 0.722 40 0 CCABLO CNC(=O)[C@@H]1CN(Cc2ccncc2)CC[N@H+]1C(C)C ZINC000248013932 334293553 /nfs/dbraw/zinc/29/35/53/334293553.db2.gz SAFFMICMSMZWLR-AWEZNQCLSA-N 1 2 276.384 0.722 40 0 CCABLO CCOC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCCCC1 ZINC000217359393 567927331 /nfs/dbraw/zinc/92/73/31/567927331.db2.gz DCAKIWRRWIMBKS-QWRGUYRKSA-N 1 2 290.385 0.384 40 0 CCABLO COC[C@H]1C[N@H+](Cc2cnn(C)c2)Cc2nn(C)cc21 ZINC000096060355 185080759 /nfs/dbraw/zinc/08/07/59/185080759.db2.gz JFGDAZBPWCLDJI-GFCCVEGCSA-N 1 2 275.356 0.899 40 0 CCABLO COC[C@H]1C[N@@H+](Cc2cnn(C)c2)Cc2nn(C)cc21 ZINC000096060355 185080761 /nfs/dbraw/zinc/08/07/61/185080761.db2.gz JFGDAZBPWCLDJI-GFCCVEGCSA-N 1 2 275.356 0.899 40 0 CCABLO COC[C@@H]1C[N@H+](Cc2ccncc2)Cc2nnn(C)c21 ZINC000096060617 185081044 /nfs/dbraw/zinc/08/10/44/185081044.db2.gz ISONKBMCYSKFFH-LBPRGKRZSA-N 1 2 273.340 0.956 40 0 CCABLO COC[C@@H]1C[N@@H+](Cc2ccncc2)Cc2nnn(C)c21 ZINC000096060617 185081046 /nfs/dbraw/zinc/08/10/46/185081046.db2.gz ISONKBMCYSKFFH-LBPRGKRZSA-N 1 2 273.340 0.956 40 0 CCABLO C[C@H](Oc1cccc(N)c1)C(=O)NCC[NH+]1CCOCC1 ZINC000041483466 348255156 /nfs/dbraw/zinc/25/51/56/348255156.db2.gz VYAVVXIGJOJGPH-LBPRGKRZSA-N 1 2 293.367 0.485 40 0 CCABLO C[NH+]1CCN(c2c(N)cc(C(N)=O)cc2Cl)CC1 ZINC000070462667 348891426 /nfs/dbraw/zinc/89/14/26/348891426.db2.gz VMURUYJJIHBZRA-UHFFFAOYSA-N 1 2 268.748 0.773 40 0 CCABLO C[N@H+]1Cc2ccnn2[C@H](CNC(=O)N2CCCC2)C1 ZINC000306142450 354173482 /nfs/dbraw/zinc/17/34/82/354173482.db2.gz WZMHXHWLKOUXFT-GFCCVEGCSA-N 1 2 263.345 0.675 40 0 CCABLO C[N@@H+]1Cc2ccnn2[C@H](CNC(=O)N2CCCC2)C1 ZINC000306142450 354173485 /nfs/dbraw/zinc/17/34/85/354173485.db2.gz WZMHXHWLKOUXFT-GFCCVEGCSA-N 1 2 263.345 0.675 40 0 CCABLO CNc1cc(-c2ccccc2)[nH+]c(NCCCO)n1 ZINC000329012556 202152795 /nfs/dbraw/zinc/15/27/95/202152795.db2.gz MKGCMEDHIIRIPU-UHFFFAOYSA-N 1 2 258.325 0.823 40 0 CCABLO CNC(=O)C[C@]1(COC)CN(c2cc(C)[nH+]cn2)CCO1 ZINC000585277768 359259272 /nfs/dbraw/zinc/25/92/72/359259272.db2.gz XSTNXHGYBGIXEZ-CQSZACIVSA-N 1 2 294.355 0.143 40 0 CCABLO COc1ncccc1CN1Cc2[nH+]cn(C)c2C[C@H]1CO ZINC000585094700 359246388 /nfs/dbraw/zinc/24/63/88/359246388.db2.gz IMYMDGFOZKSGEU-LBPRGKRZSA-N 1 2 288.351 0.743 40 0 CCABLO CO[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@]12CCCO2 ZINC000585288873 359262293 /nfs/dbraw/zinc/26/22/93/359262293.db2.gz KLTBQHYUAOKEOW-YTRGCGJWSA-N 1 2 277.324 0.829 40 0 CCABLO CCCn1cc(C[N@@H+]2CCO[C@@](C)(C(N)=O)C2)cn1 ZINC000257253273 190020935 /nfs/dbraw/zinc/02/09/35/190020935.db2.gz JYFLIDQZCGOPCR-CYBMUJFWSA-N 1 2 266.345 0.369 40 0 CCABLO CCCn1cc(C[N@H+]2CCO[C@@](C)(C(N)=O)C2)cn1 ZINC000257253273 190020936 /nfs/dbraw/zinc/02/09/36/190020936.db2.gz JYFLIDQZCGOPCR-CYBMUJFWSA-N 1 2 266.345 0.369 40 0 CCABLO CO[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@]12CCCO2 ZINC000257269981 190023827 /nfs/dbraw/zinc/02/38/27/190023827.db2.gz MSGXAOPLGHNASQ-JSGCOSHPSA-N 1 2 279.340 0.680 40 0 CCABLO C[C@@]12CC[N@H+](CC(=O)N3CCOCC3)[C@@H]1CC[C@@H](O)C2 ZINC000257324023 190034197 /nfs/dbraw/zinc/03/41/97/190034197.db2.gz WMVQTGJTSMPMRW-NFAWXSAZSA-N 1 2 282.384 0.471 40 0 CCABLO C[C@@]12CC[N@@H+](CC(=O)N3CCOCC3)[C@@H]1CC[C@@H](O)C2 ZINC000257324023 190034198 /nfs/dbraw/zinc/03/41/98/190034198.db2.gz WMVQTGJTSMPMRW-NFAWXSAZSA-N 1 2 282.384 0.471 40 0 CCABLO Cc1nc2sccn2c1C[N@@H+]1C[C@@H]2NC(=O)CO[C@H]2C1 ZINC000257335890 190036260 /nfs/dbraw/zinc/03/62/60/190036260.db2.gz YMHWAFIFOXBCFU-ONGXEEELSA-N 1 2 292.364 0.403 40 0 CCABLO Cc1nc2sccn2c1C[N@H+]1C[C@@H]2NC(=O)CO[C@H]2C1 ZINC000257335890 190036261 /nfs/dbraw/zinc/03/62/61/190036261.db2.gz YMHWAFIFOXBCFU-ONGXEEELSA-N 1 2 292.364 0.403 40 0 CCABLO CCOC(=O)[C@@H]([NH3+])C1(N2CCOCC2)CCCCC1 ZINC000072210562 388959620 /nfs/dbraw/zinc/95/96/20/388959620.db2.gz VCHCILWRJRMTEP-GFCCVEGCSA-N 1 2 270.373 0.912 40 0 CCABLO CNC(=O)[C@H]1CO[C@@H]2C[N@H+](Cc3nccs3)C[C@H]12 ZINC000096215901 389053020 /nfs/dbraw/zinc/05/30/20/389053020.db2.gz TZLBZMHGRGOYNN-KXUCPTDWSA-N 1 2 267.354 0.336 40 0 CCABLO CNC(=O)[C@H]1CO[C@@H]2C[N@@H+](Cc3nccs3)C[C@H]12 ZINC000096215901 389053023 /nfs/dbraw/zinc/05/30/23/389053023.db2.gz TZLBZMHGRGOYNN-KXUCPTDWSA-N 1 2 267.354 0.336 40 0 CCABLO CN(C)C(=O)[C@H]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]1O2 ZINC000096252798 389056819 /nfs/dbraw/zinc/05/68/19/389056819.db2.gz KIULRWGLHSCOAF-HZSPNIEDSA-N 1 2 275.352 0.759 40 0 CCABLO CN(C)C(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]1O2 ZINC000096252798 389056825 /nfs/dbraw/zinc/05/68/25/389056825.db2.gz KIULRWGLHSCOAF-HZSPNIEDSA-N 1 2 275.352 0.759 40 0 CCABLO CNC(=O)CN1CC[N@H+](C)[C@@H](c2ccc(OC)cc2)C1 ZINC000257322765 389269801 /nfs/dbraw/zinc/26/98/01/389269801.db2.gz WHIDZQYXYQTHMU-CQSZACIVSA-N 1 2 277.368 0.730 40 0 CCABLO CNC(=O)CN1CC[N@@H+](C)[C@@H](c2ccc(OC)cc2)C1 ZINC000257322765 389269802 /nfs/dbraw/zinc/26/98/02/389269802.db2.gz WHIDZQYXYQTHMU-CQSZACIVSA-N 1 2 277.368 0.730 40 0 CCABLO CC[N@H+](Cc1cccc(F)c1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000575421495 390839387 /nfs/dbraw/zinc/83/93/87/390839387.db2.gz QTUWFFYXNMDKJI-QWHCGFSZSA-N 1 2 287.356 0.806 40 0 CCABLO CC[N@@H+](Cc1cccc(F)c1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000575421495 390839390 /nfs/dbraw/zinc/83/93/90/390839390.db2.gz QTUWFFYXNMDKJI-QWHCGFSZSA-N 1 2 287.356 0.806 40 0 CCABLO COc1cc2[nH+]cn([C@H]3C[C@@H](O)[C@H](CO)O3)c2cc1OC ZINC000004824011 170023665 /nfs/dbraw/zinc/02/36/65/170023665.db2.gz NMELIIRNNKJYFR-DDTOSNHZSA-N 1 2 294.307 0.694 40 0 CCABLO COC[C@H]1CN(C(C)=O)CCN(c2cc(C)[nH+]cn2)C1 ZINC000072376711 176385258 /nfs/dbraw/zinc/38/52/58/176385258.db2.gz UXCGQZYXAPAKBG-ZDUSSCGKSA-N 1 2 278.356 0.716 40 0 CCABLO CC(=O)N1CCN(c2cc(C)[nH+]cn2)C[C@H](CO)C1 ZINC000072376710 176385360 /nfs/dbraw/zinc/38/53/60/176385360.db2.gz MONDMDYPMGDPQY-GFCCVEGCSA-N 1 2 264.329 0.062 40 0 CCABLO NC(=O)N1Cc2[nH+]ccn2C[C@@H](Cn2cccn2)C1 ZINC000096067076 279566295 /nfs/dbraw/zinc/56/62/95/279566295.db2.gz BSOHWXKIYRTRTR-SNVBAGLBSA-N 1 2 260.301 0.290 40 0 CCABLO Cc1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)[nH]n1 ZINC000108534661 280335012 /nfs/dbraw/zinc/33/50/12/280335012.db2.gz AGFWVULLCHGDJR-RYUDHWBXSA-N 1 2 264.329 0.263 40 0 CCABLO Cc1cc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)[nH]n1 ZINC000108534661 280335014 /nfs/dbraw/zinc/33/50/14/280335014.db2.gz AGFWVULLCHGDJR-RYUDHWBXSA-N 1 2 264.329 0.263 40 0 CCABLO Cc1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)n[nH]1 ZINC000108534661 280335017 /nfs/dbraw/zinc/33/50/17/280335017.db2.gz AGFWVULLCHGDJR-RYUDHWBXSA-N 1 2 264.329 0.263 40 0 CCABLO Cc1cc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)n[nH]1 ZINC000108534661 280335020 /nfs/dbraw/zinc/33/50/20/280335020.db2.gz AGFWVULLCHGDJR-RYUDHWBXSA-N 1 2 264.329 0.263 40 0 CCABLO C/C=C/C(=O)NCC[NH+]1CCN(C(=O)/C=C\C)CC1 ZINC000017300807 348053874 /nfs/dbraw/zinc/05/38/74/348053874.db2.gz UEPDQEHSYFDDDK-UZNMPDEFSA-N 1 2 265.357 0.399 40 0 CCABLO Cn1cc[nH+]c1CNC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000019291517 348058922 /nfs/dbraw/zinc/05/89/22/348058922.db2.gz LVJPVNOLQZLXEE-UHFFFAOYSA-N 1 2 297.318 0.597 40 0 CCABLO CC[N@H+](Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000037487438 348189283 /nfs/dbraw/zinc/18/92/83/348189283.db2.gz IHKZRZOJHPJARO-STQMWFEESA-N 1 2 269.366 0.666 40 0 CCABLO CC[N@@H+](Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000037487438 348189287 /nfs/dbraw/zinc/18/92/87/348189287.db2.gz IHKZRZOJHPJARO-STQMWFEESA-N 1 2 269.366 0.666 40 0 CCABLO C[C@H](Oc1cccc(N)c1)C(=O)N1CC[NH+](C)CC1 ZINC000041356678 348252455 /nfs/dbraw/zinc/25/24/55/348252455.db2.gz IJRBLQSIPYHWSX-NSHDSACASA-N 1 2 263.341 0.810 40 0 CCABLO COc1cccc(OC[C@@H]2C[N@H+](CCO)CCO2)c1 ZINC000217491546 351948407 /nfs/dbraw/zinc/94/84/07/351948407.db2.gz JILSCRZXONQFCV-AWEZNQCLSA-N 1 2 267.325 0.767 40 0 CCABLO COc1cccc(OC[C@@H]2C[N@@H+](CCO)CCO2)c1 ZINC000217491546 351948408 /nfs/dbraw/zinc/94/84/08/351948408.db2.gz JILSCRZXONQFCV-AWEZNQCLSA-N 1 2 267.325 0.767 40 0 CCABLO Cn1c[nH+]c2c1C[C@H](CO)N(C(=O)c1ccoc1)C2 ZINC000585094758 359246305 /nfs/dbraw/zinc/24/63/05/359246305.db2.gz LINLMPMRPSXVRW-SNVBAGLBSA-N 1 2 261.281 0.573 40 0 CCABLO Cc1nc([C@H]2CN(Cc3c[nH+]cn3C)CCO2)cc(=O)[nH]1 ZINC000257265575 190023007 /nfs/dbraw/zinc/02/30/07/190023007.db2.gz LZGARWHVGZWOIK-CYBMUJFWSA-N 1 2 289.339 0.798 40 0 CCABLO CC(=O)NCc1c[nH+]c([C@H]2CCN(c3cnccn3)C2)[nH]1 ZINC000257304617 190030705 /nfs/dbraw/zinc/03/07/05/190030705.db2.gz SMJRYFBVPCSPDK-NSHDSACASA-N 1 2 286.339 0.830 40 0 CCABLO CC(=O)NCc1c[nH]c([C@H]2CCN(c3cnccn3)C2)[nH+]1 ZINC000257304617 190030706 /nfs/dbraw/zinc/03/07/06/190030706.db2.gz SMJRYFBVPCSPDK-NSHDSACASA-N 1 2 286.339 0.830 40 0 CCABLO CN(C)C(=O)[C@]1(C)CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000257325882 190034233 /nfs/dbraw/zinc/03/42/33/190034233.db2.gz WUVZBOVZADEPBA-LBPRGKRZSA-N 1 2 252.318 0.089 40 0 CCABLO CN(C)C(=O)[C@]1(C)CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000257325882 190034234 /nfs/dbraw/zinc/03/42/34/190034234.db2.gz WUVZBOVZADEPBA-LBPRGKRZSA-N 1 2 252.318 0.089 40 0 CCABLO Cc1cn(C)c([C@H]2CCN(C(=O)Cn3cccn3)C2)[nH+]1 ZINC000257335006 190036002 /nfs/dbraw/zinc/03/60/02/190036002.db2.gz YIGZMAHAGLWQAY-LBPRGKRZSA-N 1 2 273.340 0.941 40 0 CCABLO O=C(NCC[NH+]1CCOCC1)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000036145421 388841341 /nfs/dbraw/zinc/84/13/41/388841341.db2.gz QAQUNHWXVGVPDJ-AGIUHOORSA-N 1 2 252.358 0.871 40 0 CCABLO CNC(=O)[C@@]1(C)CN(c2cc(C)[nH+]cn2)CCO1 ZINC000072379625 388961763 /nfs/dbraw/zinc/96/17/63/388961763.db2.gz MCKLDCWURGMWGV-GFCCVEGCSA-N 1 2 250.302 0.126 40 0 CCABLO COC[C@H]1CN(S(=O)(=O)C2CC2)Cc2c[nH+]cn21 ZINC000247815289 389243490 /nfs/dbraw/zinc/24/34/90/389243490.db2.gz AUIWCZLUKMSWDM-SNVBAGLBSA-N 1 2 271.342 0.378 40 0 CCABLO CN(C)c1nccnc1[C@@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000257209643 397439754 /nfs/dbraw/zinc/43/97/54/397439754.db2.gz BRHDUKTVSOXLNM-NSHDSACASA-N 1 2 288.355 0.839 40 0 CCABLO Cc1cc(=O)[nH]c([C@@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000072361137 176376775 /nfs/dbraw/zinc/37/67/75/176376775.db2.gz HGAHXSHDRIJHJI-SECBINFHSA-N 1 2 250.302 0.155 40 0 CCABLO Cc1cc(=O)[nH]c([C@@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000072361137 176376776 /nfs/dbraw/zinc/37/67/76/176376776.db2.gz HGAHXSHDRIJHJI-SECBINFHSA-N 1 2 250.302 0.155 40 0 CCABLO COCC(=O)N[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC000072369070 176383799 /nfs/dbraw/zinc/38/37/99/176383799.db2.gz FCSLZOCGLRONOL-GFCCVEGCSA-N 1 2 278.356 0.907 40 0 CCABLO CN(C)c1cccc(C[C@@H]2COCC[N@H+](CC(=O)[O-])C2)[nH+]1 ZINC000072388158 176393094 /nfs/dbraw/zinc/39/30/94/176393094.db2.gz YJLMDWGUWFEWML-LBPRGKRZSA-N 1 2 293.367 0.723 40 0 CCABLO CN(C)c1cccc(C[C@@H]2COCC[N@@H+](CC(=O)[O-])C2)[nH+]1 ZINC000072388158 176393095 /nfs/dbraw/zinc/39/30/95/176393095.db2.gz YJLMDWGUWFEWML-LBPRGKRZSA-N 1 2 293.367 0.723 40 0 CCABLO COc1ccccc1[C@@H]1CN(CCO)CC[N@@H+]1C ZINC000248065106 334294310 /nfs/dbraw/zinc/29/43/10/334294310.db2.gz VZAUDEDPWRTWOU-ZDUSSCGKSA-N 1 2 250.342 0.976 40 0 CCABLO COc1ccccc1[C@@H]1CN(CCO)CC[N@H+]1C ZINC000248065106 334294312 /nfs/dbraw/zinc/29/43/12/334294312.db2.gz VZAUDEDPWRTWOU-ZDUSSCGKSA-N 1 2 250.342 0.976 40 0 CCABLO Cn1c[nH+]c2c1[C@H](COCC1CC1)CN(S(C)(=O)=O)C2 ZINC000096060252 185080696 /nfs/dbraw/zinc/08/06/96/185080696.db2.gz OCIBXWYPXVVKGZ-NSHDSACASA-N 1 2 299.396 0.706 40 0 CCABLO COCCN1CCN(C(=O)COC)Cc2ccc[nH+]c21 ZINC000096060940 185083002 /nfs/dbraw/zinc/08/30/02/185083002.db2.gz GQGDGBWUSPUFRY-UHFFFAOYSA-N 1 2 279.340 0.523 40 0 CCABLO Cn1cc(C[N@@H+]2CCO[C@@H]3[C@@H](CO)CC[C@@H]32)cn1 ZINC000096082412 185092387 /nfs/dbraw/zinc/09/23/87/185092387.db2.gz FYSBOQUOJXQKJR-FRRDWIJNSA-N 1 2 251.330 0.392 40 0 CCABLO Cn1cc(C[N@H+]2CCO[C@@H]3[C@@H](CO)CC[C@@H]32)cn1 ZINC000096082412 185092389 /nfs/dbraw/zinc/09/23/89/185092389.db2.gz FYSBOQUOJXQKJR-FRRDWIJNSA-N 1 2 251.330 0.392 40 0 CCABLO O=C1NCCO[C@H]2C[N@H+](Cc3nccs3)CC[C@@H]12 ZINC000096107056 185099419 /nfs/dbraw/zinc/09/94/19/185099419.db2.gz XZFTXDHZZDBMRP-ZJUUUORDSA-N 1 2 267.354 0.480 40 0 CCABLO O=C1NCCO[C@H]2C[N@@H+](Cc3nccs3)CC[C@@H]12 ZINC000096107056 185099420 /nfs/dbraw/zinc/09/94/20/185099420.db2.gz XZFTXDHZZDBMRP-ZJUUUORDSA-N 1 2 267.354 0.480 40 0 CCABLO C[N@H+](Cc1cccc(F)c1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000037487586 348189655 /nfs/dbraw/zinc/18/96/55/348189655.db2.gz HMCBKQZSQXAHGE-NEPJUHHUSA-N 1 2 273.329 0.415 40 0 CCABLO C[N@@H+](Cc1cccc(F)c1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000037487586 348189656 /nfs/dbraw/zinc/18/96/56/348189656.db2.gz HMCBKQZSQXAHGE-NEPJUHHUSA-N 1 2 273.329 0.415 40 0 CCABLO CCc1ncc(C[NH2+][C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cn1 ZINC000218761239 351962342 /nfs/dbraw/zinc/96/23/42/351962342.db2.gz SARVWZWFGFAWES-NSHDSACASA-N 1 2 275.312 0.548 40 0 CCABLO CCc1ncc(C[NH2+][C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cn1 ZINC000218761239 351962345 /nfs/dbraw/zinc/96/23/45/351962345.db2.gz SARVWZWFGFAWES-NSHDSACASA-N 1 2 275.312 0.548 40 0 CCABLO Cn1ccc(C(=O)N2CC[C@@]3(CCn4cc[nH+]c43)C2)n1 ZINC000306142734 354173632 /nfs/dbraw/zinc/17/36/32/354173632.db2.gz XHVQLPHAYGZUQG-AWEZNQCLSA-N 1 2 271.324 0.804 40 0 CCABLO CCNc1cc(-c2ccncc2)[nH+]c(N[C@H](C)CO)n1 ZINC000328984877 202139486 /nfs/dbraw/zinc/13/94/86/202139486.db2.gz HPUQMIQHSWXANF-SNVBAGLBSA-N 1 2 273.340 0.607 40 0 CCABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)[nH+]1 ZINC000257241603 190018789 /nfs/dbraw/zinc/01/87/89/190018789.db2.gz HYRDWCCLVCPREI-JTQLQIEISA-N 1 2 287.323 0.821 40 0 CCABLO Cc1c[nH]c([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)[nH+]1 ZINC000257299109 190029329 /nfs/dbraw/zinc/02/93/29/190029329.db2.gz ROTSFTYUJRQDGB-JTQLQIEISA-N 1 2 295.368 0.977 40 0 CCABLO CC(=O)NCc1c[nH+]c([C@@H]2CCN(c3cnccn3)C2)[nH]1 ZINC000257304616 190030153 /nfs/dbraw/zinc/03/01/53/190030153.db2.gz SMJRYFBVPCSPDK-LLVKDONJSA-N 1 2 286.339 0.830 40 0 CCABLO CC(=O)NCc1c[nH]c([C@@H]2CCN(c3cnccn3)C2)[nH+]1 ZINC000257304616 190030154 /nfs/dbraw/zinc/03/01/54/190030154.db2.gz SMJRYFBVPCSPDK-LLVKDONJSA-N 1 2 286.339 0.830 40 0 CCABLO Cc1cc(C(=O)NCc2cn(C)c[nH+]2)n2nccc2n1 ZINC000257313369 190032349 /nfs/dbraw/zinc/03/23/49/190032349.db2.gz USCSCDWFKVTALQ-UHFFFAOYSA-N 1 2 270.296 0.701 40 0 CCABLO CC[NH+](CC)CCNC(=O)[C@]1(C)CN(C(C)=O)CCO1 ZINC000257324174 190034170 /nfs/dbraw/zinc/03/41/70/190034170.db2.gz WNNOFRKQDCWBHU-AWEZNQCLSA-N 1 2 285.388 0.082 40 0 CCABLO NC(=O)c1nn(-c2ccccc2)c2nc[nH+]c(N)c12 ZINC000003852624 388757988 /nfs/dbraw/zinc/75/79/88/388757988.db2.gz VUGPPDLYTZQFGM-UHFFFAOYSA-N 1 2 254.253 0.497 40 0 CCABLO Cc1nc(N2CCO[C@](C)(C(=O)N(C)C)C2)cc[nH+]1 ZINC000072379712 388961952 /nfs/dbraw/zinc/96/19/52/388961952.db2.gz WPWZNHXEFIYDIU-ZDUSSCGKSA-N 1 2 264.329 0.469 40 0 CCABLO CNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3cccs3)C[C@@H]2[N@@H+]1C ZINC000096182531 389048493 /nfs/dbraw/zinc/04/84/93/389048493.db2.gz UOQSSXVYYBQVGZ-MXWKQRLJSA-N 1 2 293.392 0.639 40 0 CCABLO CNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3cccs3)C[C@@H]2[N@H+]1C ZINC000096182531 389048494 /nfs/dbraw/zinc/04/84/94/389048494.db2.gz UOQSSXVYYBQVGZ-MXWKQRLJSA-N 1 2 293.392 0.639 40 0 CCABLO CN1CC2(CC[NH+](Cc3nccs3)CC2)OCC1=O ZINC000096201341 389051184 /nfs/dbraw/zinc/05/11/84/389051184.db2.gz DAXAJEDWYDZFQL-UHFFFAOYSA-N 1 2 281.381 0.966 40 0 CCABLO CN1C=[NH+]c2c(ncn2[C@@H]2CC[C@H](CO)O2)[C@@H]1O ZINC000005883800 170150018 /nfs/dbraw/zinc/15/00/18/170150018.db2.gz YWTQNDFEJJIOOG-FYBVGQRMSA-N 1 2 252.274 0.149 40 0 CCABLO C[N@@H+]1CCC[C@](C)(c2n[nH]cc2S(C)(=O)=O)C1 ZINC000072388695 176393108 /nfs/dbraw/zinc/39/31/08/176393108.db2.gz LVMJHBNTHJLFEV-NSHDSACASA-N 1 2 257.359 0.797 40 0 CCABLO C[N@H+]1CCC[C@](C)(c2n[nH]cc2S(C)(=O)=O)C1 ZINC000072388695 176393110 /nfs/dbraw/zinc/39/31/10/176393110.db2.gz LVMJHBNTHJLFEV-NSHDSACASA-N 1 2 257.359 0.797 40 0 CCABLO Cn1cc(C[N@@H+]2CCOC[C@H](Oc3cnccn3)C2)cn1 ZINC000077265936 177246396 /nfs/dbraw/zinc/24/63/96/177246396.db2.gz XLLATCMZTYQSMG-CYBMUJFWSA-N 1 2 289.339 0.490 40 0 biogenic,in-vitro CCABLO Cn1cc(C[N@H+]2CCOC[C@H](Oc3cnccn3)C2)cn1 ZINC000077265936 177246397 /nfs/dbraw/zinc/24/63/97/177246397.db2.gz XLLATCMZTYQSMG-CYBMUJFWSA-N 1 2 289.339 0.490 40 0 biogenic,in-vitro CCABLO C[N@@H+]1CCNC(=O)C12CCN(c1nccs1)CC2 ZINC000096077111 290060794 /nfs/dbraw/zinc/06/07/94/290060794.db2.gz OTXIOIXQAKXLEP-UHFFFAOYSA-N 1 2 266.370 0.544 40 0 CCABLO C[N@H+]1CCNC(=O)C12CCN(c1nccs1)CC2 ZINC000096077111 290060796 /nfs/dbraw/zinc/06/07/96/290060796.db2.gz OTXIOIXQAKXLEP-UHFFFAOYSA-N 1 2 266.370 0.544 40 0 CCABLO CNC(=O)[C@@H]1CN(c2ncccn2)CC[N@@H+]1C(C)C ZINC000248003712 334293193 /nfs/dbraw/zinc/29/31/93/334293193.db2.gz OVCPCBWBXUYQNI-NSHDSACASA-N 1 2 263.345 0.122 40 0 CCABLO CNC(=O)[C@@H]1CN(c2ncccn2)CC[N@H+]1C(C)C ZINC000248003712 334293194 /nfs/dbraw/zinc/29/31/94/334293194.db2.gz OVCPCBWBXUYQNI-NSHDSACASA-N 1 2 263.345 0.122 40 0 CCABLO COc1ncccc1NC(=S)NCC[NH+]1CCOCC1 ZINC000223892525 230399371 /nfs/dbraw/zinc/39/93/71/230399371.db2.gz PLMPOJPJOOCSQI-UHFFFAOYSA-N 1 2 296.396 0.709 40 0 CCABLO CCn1ncc(N2CC[NH+](C)CC2)c(Cl)c1=O ZINC000028114965 348105032 /nfs/dbraw/zinc/10/50/32/348105032.db2.gz MNCZEPYRRZALPU-UHFFFAOYSA-N 1 2 256.737 0.668 40 0 CCABLO O=C1Cc2ccccc2C(=O)N1CC[NH+]1CCOCC1 ZINC000031793825 348127828 /nfs/dbraw/zinc/12/78/28/348127828.db2.gz WMRDUIGMQVIXIF-UHFFFAOYSA-N 1 2 274.320 0.544 40 0 CCABLO CN([C@@H]1CCCN(c2cccc[nH+]2)C1)S(C)(=O)=O ZINC000078401355 349137213 /nfs/dbraw/zinc/13/72/13/349137213.db2.gz DLZOCEGZVNRNJB-LLVKDONJSA-N 1 2 269.370 0.942 40 0 CCABLO CO[C@H]1C[N@H+](Cc2nccn2C)C[C@@]12CCCO2 ZINC000257310557 352552802 /nfs/dbraw/zinc/55/28/02/352552802.db2.gz UFPQYXPQLNOBBK-AAEUAGOBSA-N 1 2 251.330 0.800 40 0 CCABLO CO[C@H]1C[N@@H+](Cc2nccn2C)C[C@@]12CCCO2 ZINC000257310557 352552805 /nfs/dbraw/zinc/55/28/05/352552805.db2.gz UFPQYXPQLNOBBK-AAEUAGOBSA-N 1 2 251.330 0.800 40 0 CCABLO CCNc1cc(-c2cccnc2)[nH+]c(NCCO)n1 ZINC000328959502 202130742 /nfs/dbraw/zinc/13/07/42/202130742.db2.gz AURKWZAZRWUEBV-UHFFFAOYSA-N 1 2 259.313 0.218 40 0 CCABLO Cc1[nH]ncc1C[N@@H+]1C[C@H](O)[C@@H](CC(=O)N2CCCC2)C1 ZINC000585275731 359258277 /nfs/dbraw/zinc/25/82/77/359258277.db2.gz IUMNOMXZMZJVIR-JSGCOSHPSA-N 1 2 292.383 0.523 40 0 CCABLO Cc1[nH]ncc1C[N@H+]1C[C@H](O)[C@@H](CC(=O)N2CCCC2)C1 ZINC000585275731 359258283 /nfs/dbraw/zinc/25/82/83/359258283.db2.gz IUMNOMXZMZJVIR-JSGCOSHPSA-N 1 2 292.383 0.523 40 0 CCABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCNC(=O)C1 ZINC000257221613 190014722 /nfs/dbraw/zinc/01/47/22/190014722.db2.gz DPVPXOSTJVUALV-UHFFFAOYSA-N 1 2 272.308 0.144 40 0 CCABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)[nH+]1 ZINC000257241604 190018917 /nfs/dbraw/zinc/01/89/17/190018917.db2.gz HYRDWCCLVCPREI-SNVBAGLBSA-N 1 2 287.323 0.821 40 0 CCABLO COc1cccc(C[N@@H+]2C[C@@H]3NC(=O)CO[C@H]3C2)c1F ZINC000257321284 190033871 /nfs/dbraw/zinc/03/38/71/190033871.db2.gz WAYVLKQNHSJUSU-JQWIXIFHSA-N 1 2 280.299 0.534 40 0 CCABLO COc1cccc(C[N@H+]2C[C@@H]3NC(=O)CO[C@H]3C2)c1F ZINC000257321284 190033872 /nfs/dbraw/zinc/03/38/72/190033872.db2.gz WAYVLKQNHSJUSU-JQWIXIFHSA-N 1 2 280.299 0.534 40 0 CCABLO O=C(N[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1O)c1ccn[nH]1 ZINC000257323584 190034457 /nfs/dbraw/zinc/03/44/57/190034457.db2.gz WKZOKEVJZQECMJ-VXGBXAGGSA-N 1 2 292.364 0.446 40 0 CCABLO O=C(N[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1O)c1ccn[nH]1 ZINC000257323584 190034458 /nfs/dbraw/zinc/03/44/58/190034458.db2.gz WKZOKEVJZQECMJ-VXGBXAGGSA-N 1 2 292.364 0.446 40 0 CCABLO O=C1CO[C@@H]2CC[N@@H+](Cc3ncccc3F)C[C@@H]2N1 ZINC000257315674 296340044 /nfs/dbraw/zinc/34/00/44/296340044.db2.gz VCJHLXBHVSNZSQ-NWDGAFQWSA-N 1 2 265.288 0.310 40 0 CCABLO O=C1CO[C@@H]2CC[N@H+](Cc3ncccc3F)C[C@@H]2N1 ZINC000257315674 296340048 /nfs/dbraw/zinc/34/00/48/296340048.db2.gz VCJHLXBHVSNZSQ-NWDGAFQWSA-N 1 2 265.288 0.310 40 0 CCABLO CCOc1ccc([C@H]([NH3+])c2nc(CO)n[nH]2)cc1OC ZINC000095534340 256745272 /nfs/dbraw/zinc/74/52/72/256745272.db2.gz GANHGZVCSIJOAY-LBPRGKRZSA-N 1 2 278.312 0.752 40 0 CCABLO O=C1NCC[C@]12C[N@@H+](Cc1cn[nH]c1)CC(F)(F)C2 ZINC000585093434 390356765 /nfs/dbraw/zinc/35/67/65/390356765.db2.gz WIOSXWOMKZDHGR-NSHDSACASA-N 1 2 270.283 0.757 40 0 CCABLO O=C1NCC[C@]12C[N@H+](Cc1cn[nH]c1)CC(F)(F)C2 ZINC000585093434 390356768 /nfs/dbraw/zinc/35/67/68/390356768.db2.gz WIOSXWOMKZDHGR-NSHDSACASA-N 1 2 270.283 0.757 40 0 CCABLO CC(=O)N1CC[NH2+][C@H](c2cccc(C(=O)N(C)C)c2)C1 ZINC000072366066 176380836 /nfs/dbraw/zinc/38/08/36/176380836.db2.gz QROGNDPVTXJAEK-AWEZNQCLSA-N 1 2 275.352 0.881 40 0 CCABLO CN(C)C(=O)[C@]1(C)CN(Cc2c[nH+]cn2C)CCO1 ZINC000072379858 176387001 /nfs/dbraw/zinc/38/70/01/176387001.db2.gz YUVUIVDTIQQHCR-ZDUSSCGKSA-N 1 2 266.345 0.099 40 0 CCABLO CO[C@H](C)[C@@](O)(C(=O)OC1=CC[N@@H+]2CC[C@H](O)[C@@H]12)C(C)C ZINC000020470448 294320675 /nfs/dbraw/zinc/32/06/75/294320675.db2.gz SYBDAXBOJJGQCQ-REJLFOLJSA-N 1 2 299.367 0.284 40 0 CCABLO CO[C@H](C)[C@@](O)(C(=O)OC1=CC[N@H+]2CC[C@H](O)[C@@H]12)C(C)C ZINC000020470448 294320677 /nfs/dbraw/zinc/32/06/77/294320677.db2.gz SYBDAXBOJJGQCQ-REJLFOLJSA-N 1 2 299.367 0.284 40 0 CCABLO CC(C)[N@@H+]1CCO[C@H]2CN(C(=O)c3cccn3C)C[C@H]21 ZINC000096054283 185075902 /nfs/dbraw/zinc/07/59/02/185075902.db2.gz YZFTYVVEBNHHHU-KGLIPLIRSA-N 1 2 277.368 0.959 40 0 CCABLO CC(C)[N@H+]1CCO[C@H]2CN(C(=O)c3cccn3C)C[C@H]21 ZINC000096054283 185075904 /nfs/dbraw/zinc/07/59/04/185075904.db2.gz YZFTYVVEBNHHHU-KGLIPLIRSA-N 1 2 277.368 0.959 40 0 CCABLO CC(C)[N@H+](C)Cc1nnc2n1CCN(C(=O)N(C)C)CC2 ZINC000096058963 185078600 /nfs/dbraw/zinc/07/86/00/185078600.db2.gz ZSQMRRIJMJFFCZ-UHFFFAOYSA-N 1 2 294.403 0.658 40 0 CCABLO CC(C)[N@@H+](C)Cc1nnc2n1CCN(C(=O)N(C)C)CC2 ZINC000096058963 185078601 /nfs/dbraw/zinc/07/86/01/185078601.db2.gz ZSQMRRIJMJFFCZ-UHFFFAOYSA-N 1 2 294.403 0.658 40 0 CCABLO c1ncn(Cc2c[nH+]c3n2CCN(Cc2ccccn2)C3)n1 ZINC000096061829 185082481 /nfs/dbraw/zinc/08/24/81/185082481.db2.gz RBEUXRFEFRYIFY-UHFFFAOYSA-N 1 2 295.350 0.934 40 0 CCABLO CN1CCN(S(=O)(=O)C2CC2)Cc2ccc[nH+]c21 ZINC000096060922 282958529 /nfs/dbraw/zinc/95/85/29/282958529.db2.gz AOFZAFQTQSGZOS-UHFFFAOYSA-N 1 2 267.354 0.826 40 0 CCABLO C/C=C/C(=O)NCC[NH+]1CCN(C(=O)/C=C/C)CC1 ZINC000031624094 348126325 /nfs/dbraw/zinc/12/63/25/348126325.db2.gz UEPDQEHSYFDDDK-GGWOSOGESA-N 1 2 265.357 0.399 40 0 CCABLO CS(=O)(=O)NC[C@H]1C[N@H+](CC2CCC2)Cc2cncn21 ZINC000247533686 352419431 /nfs/dbraw/zinc/41/94/31/352419431.db2.gz PRVOFRHTRHWOSY-ZDUSSCGKSA-N 1 2 298.412 0.589 40 0 CCABLO CS(=O)(=O)NC[C@H]1C[N@@H+](CC2CCC2)Cc2cncn21 ZINC000247533686 352419435 /nfs/dbraw/zinc/41/94/35/352419435.db2.gz PRVOFRHTRHWOSY-ZDUSSCGKSA-N 1 2 298.412 0.589 40 0 CCABLO CS(=O)(=O)NC[C@H]1CN(CC2CCC2)Cc2c[nH+]cn21 ZINC000247533686 352419438 /nfs/dbraw/zinc/41/94/38/352419438.db2.gz PRVOFRHTRHWOSY-ZDUSSCGKSA-N 1 2 298.412 0.589 40 0 CCABLO CC(C)Nc1cc(-c2ccncc2)[nH+]c(N[C@H](C)CO)n1 ZINC000329069444 354252141 /nfs/dbraw/zinc/25/21/41/354252141.db2.gz YYBWHWZRRNGZKD-LLVKDONJSA-N 1 2 287.367 0.995 40 0 CCABLO CNc1cc(-c2ccncc2)[nH+]c(N[C@@H](C)CO)n1 ZINC000328981279 202139592 /nfs/dbraw/zinc/13/95/92/202139592.db2.gz GTYSDQKWQYMEPL-VIFPVBQESA-N 1 2 259.313 0.217 40 0 CCABLO CNc1cc(-c2ccccc2)[nH+]c(N[C@@H](C)CO)n1 ZINC000329035915 202161252 /nfs/dbraw/zinc/16/12/52/202161252.db2.gz RGLXXJRHXBXTPS-JTQLQIEISA-N 1 2 258.325 0.822 40 0 CCABLO O[C@H]1CC[N@@H+](C2COC2)C[C@]1(O)COc1ccc(F)cc1 ZINC000585283013 359259170 /nfs/dbraw/zinc/25/91/70/359259170.db2.gz OOGBLVGNQAENBX-GJZGRUSLSA-N 1 2 297.326 0.401 40 0 CCABLO O[C@H]1CC[N@H+](C2COC2)C[C@]1(O)COc1ccc(F)cc1 ZINC000585283013 359259174 /nfs/dbraw/zinc/25/91/74/359259174.db2.gz OOGBLVGNQAENBX-GJZGRUSLSA-N 1 2 297.326 0.401 40 0 CCABLO Cc1c(CN2Cc3[nH+]cn(C)c3C[C@H]2CO)cnn1C ZINC000585094608 359246574 /nfs/dbraw/zinc/24/65/74/359246574.db2.gz FKISYTIXFRAWFI-LBPRGKRZSA-N 1 2 275.356 0.381 40 0 CCABLO CNC(=O)[C@H]1CN(C(=O)C(C)C)Cc2c[nH+]cn21 ZINC000585095956 359247515 /nfs/dbraw/zinc/24/75/15/359247515.db2.gz GUAQGMNCTIXJJI-SNVBAGLBSA-N 1 2 250.302 0.168 40 0 CCABLO CS(=O)(=O)NC[C@@H]1C[N@H+](CC2CC2)Cc2ccnn21 ZINC000585112509 359250114 /nfs/dbraw/zinc/25/01/14/359250114.db2.gz QKLBQPCZFICUJE-GFCCVEGCSA-N 1 2 284.385 0.199 40 0 CCABLO CS(=O)(=O)NC[C@@H]1C[N@@H+](CC2CC2)Cc2ccnn21 ZINC000585112509 359250119 /nfs/dbraw/zinc/25/01/19/359250119.db2.gz QKLBQPCZFICUJE-GFCCVEGCSA-N 1 2 284.385 0.199 40 0 CCABLO CCc1[nH+]ccn1-c1ccc(C(=O)N2CCNC(=O)C2)cn1 ZINC000257258469 190021484 /nfs/dbraw/zinc/02/14/84/190021484.db2.gz KUBBIPYWRONSAQ-UHFFFAOYSA-N 1 2 299.334 0.402 40 0 CCABLO O=C(N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O)c1cnccn1 ZINC000257289218 190027493 /nfs/dbraw/zinc/02/74/93/190027493.db2.gz PXPHFQSREDRPTQ-RAIGVLPGSA-N 1 2 287.323 0.558 40 0 CCABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)[nH+]1 ZINC000257297505 190029969 /nfs/dbraw/zinc/02/99/69/190029969.db2.gz RHNGWJFGLYOAEU-VIFPVBQESA-N 1 2 273.296 0.431 40 0 CCABLO COCCNC(=O)C[NH+]1CCC(O)(c2ccccn2)CC1 ZINC000012114494 388778319 /nfs/dbraw/zinc/77/83/19/388778319.db2.gz OOUGIZXXXRJBQO-UHFFFAOYSA-N 1 2 293.367 0.128 40 0 CCABLO C[N@@H+]1CCN(S(C)(=O)=O)C[C@@H]1c1ccccc1 ZINC000062109068 388938066 /nfs/dbraw/zinc/93/80/66/388938066.db2.gz NNYYRBPADJUOLC-GFCCVEGCSA-N 1 2 254.355 0.935 40 0 CCABLO C[N@H+]1CCN(S(C)(=O)=O)C[C@@H]1c1ccccc1 ZINC000062109068 388938069 /nfs/dbraw/zinc/93/80/69/388938069.db2.gz NNYYRBPADJUOLC-GFCCVEGCSA-N 1 2 254.355 0.935 40 0 CCABLO CCOCC(=O)N1Cc2c[nH+]cn2C[C@H](COC)C1 ZINC000096217097 389052644 /nfs/dbraw/zinc/05/26/44/389052644.db2.gz GORFPWMZIXCRHC-LLVKDONJSA-N 1 2 267.329 0.524 40 0 CCABLO CC(C)[N@@H+]1C[C@H]2NS(=O)(=O)c3ccccc3O[C@H]2C1 ZINC000514289985 390465887 /nfs/dbraw/zinc/46/58/87/390465887.db2.gz QKGPUNRUZKJFQU-PWSUYJOCSA-N 1 2 282.365 0.819 40 0 biogenic,in-vitro CCABLO CC(C)[N@H+]1C[C@H]2NS(=O)(=O)c3ccccc3O[C@H]2C1 ZINC000514289985 390465890 /nfs/dbraw/zinc/46/58/90/390465890.db2.gz QKGPUNRUZKJFQU-PWSUYJOCSA-N 1 2 282.365 0.819 40 0 biogenic,in-vitro CCABLO O=S1(=O)CC[C@@H]([N@@H+](Cc2ccccc2)C[C@@H](O)CO)C1 ZINC000575420362 390839802 /nfs/dbraw/zinc/83/98/02/390839802.db2.gz GPRXXTHRNDEIDZ-ZIAGYGMSSA-N 1 2 299.392 0.029 40 0 CCABLO O=S1(=O)CC[C@@H]([N@H+](Cc2ccccc2)C[C@@H](O)CO)C1 ZINC000575420362 390839805 /nfs/dbraw/zinc/83/98/05/390839805.db2.gz GPRXXTHRNDEIDZ-ZIAGYGMSSA-N 1 2 299.392 0.029 40 0 CCABLO Cc1nc([C@@H]2CCCC[N@@H+]2CC(N)=O)cc(=O)[nH]1 ZINC000072361151 176377839 /nfs/dbraw/zinc/37/78/39/176377839.db2.gz BHPOCIPPZQJMRD-JTQLQIEISA-N 1 2 250.302 0.091 40 0 CCABLO Cc1nc([C@@H]2CCCC[N@H+]2CC(N)=O)cc(=O)[nH]1 ZINC000072361151 176377841 /nfs/dbraw/zinc/37/78/41/176377841.db2.gz BHPOCIPPZQJMRD-JTQLQIEISA-N 1 2 250.302 0.091 40 0 CCABLO NC(=O)CCc1cccc([C@@H]2CCC[N@@H+]2CC(N)=O)n1 ZINC000072366587 176382029 /nfs/dbraw/zinc/38/20/29/176382029.db2.gz SBNCHUCCHSAYRL-LBPRGKRZSA-N 1 2 276.340 0.122 40 0 CCABLO NC(=O)CCc1cccc([C@@H]2CCC[N@H+]2CC(N)=O)n1 ZINC000072366587 176382030 /nfs/dbraw/zinc/38/20/30/176382030.db2.gz SBNCHUCCHSAYRL-LBPRGKRZSA-N 1 2 276.340 0.122 40 0 CCABLO CN(C)C(=O)[C@@]1(C)CN(Cc2c[nH+]cn2C)CCO1 ZINC000072379857 176387024 /nfs/dbraw/zinc/38/70/24/176387024.db2.gz YUVUIVDTIQQHCR-CYBMUJFWSA-N 1 2 266.345 0.099 40 0 CCABLO C[C@H](CNC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)n1cncn1 ZINC000072398035 176396055 /nfs/dbraw/zinc/39/60/55/176396055.db2.gz PSDPGBXDKBJBDA-UTUOFQBUSA-N 1 2 281.360 0.065 40 0 CCABLO C[C@H](CNC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)n1cncn1 ZINC000072398035 176396056 /nfs/dbraw/zinc/39/60/56/176396056.db2.gz PSDPGBXDKBJBDA-UTUOFQBUSA-N 1 2 281.360 0.065 40 0 CCABLO CN1c2cccnc2C[N@H+](C2COC2)CC[C@H]1CO ZINC000225496753 290322094 /nfs/dbraw/zinc/32/20/94/290322094.db2.gz ZBMYTFTVNSMVPJ-NSHDSACASA-N 1 2 263.341 0.483 40 0 biogenic,in-vitro CCABLO CN1c2cccnc2C[N@@H+](C2COC2)CC[C@H]1CO ZINC000225496753 290322096 /nfs/dbraw/zinc/32/20/96/290322096.db2.gz ZBMYTFTVNSMVPJ-NSHDSACASA-N 1 2 263.341 0.483 40 0 biogenic,in-vitro CCABLO CCNc1cc(-c2ccccc2)[nH+]c(NCCO)n1 ZINC000328963799 615451566 /nfs/dbraw/zinc/45/15/66/615451566.db2.gz BRONPIJONFLVCR-UHFFFAOYSA-N 1 2 258.325 0.823 40 0 CCABLO [NH3+][C@@H](c1nnc(CCN2CCOCC2)[nH]1)c1ccccc1 ZINC000095533431 185007395 /nfs/dbraw/zinc/00/73/95/185007395.db2.gz OTVBOGBWOCWNEQ-CQSZACIVSA-N 1 2 287.367 0.728 40 0 CCABLO Nc1ccccc1OCC(=O)Nc1c(N)nc[nH+]c1N ZINC000001748328 347962406 /nfs/dbraw/zinc/96/24/06/347962406.db2.gz ISLZKCIJWNTOBW-UHFFFAOYSA-N 1 2 274.284 0.241 40 0 CCABLO COC[C@H]1CN(C(=O)C2CCOCC2)Cc2c[nH+]cn21 ZINC000247897930 352427325 /nfs/dbraw/zinc/42/73/25/352427325.db2.gz VEJSSEGBSAFCIE-CYBMUJFWSA-N 1 2 279.340 0.839 40 0 CCABLO COC[C@@H]1CN(C(=O)c2cnn(C)c2)Cc2c[nH+]cn21 ZINC000248152257 352433030 /nfs/dbraw/zinc/43/30/30/352433030.db2.gz ULLPPOKXWHVZRR-LBPRGKRZSA-N 1 2 275.312 0.460 40 0 CCABLO Cc1nc(N2CCC[C@@](C)(C(=O)NCCO)C2)cc[nH+]1 ZINC000257227960 352551905 /nfs/dbraw/zinc/55/19/05/352551905.db2.gz FRTLLHQDBMTLAO-CQSZACIVSA-N 1 2 278.356 0.500 40 0 CCABLO O[C@H]1C[C@@H](Nc2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000295378366 353893163 /nfs/dbraw/zinc/89/31/63/353893163.db2.gz PWKFPUXKYZLAJV-AOOOYVTPSA-N 1 2 250.302 0.248 40 0 CCABLO O[C@H]1C[C@@H](Nc2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000295378366 353893167 /nfs/dbraw/zinc/89/31/67/353893167.db2.gz PWKFPUXKYZLAJV-AOOOYVTPSA-N 1 2 250.302 0.248 40 0 CCABLO CNc1cc(-c2ccncc2)[nH+]c(N[C@H](C)CO)n1 ZINC000328981278 202139823 /nfs/dbraw/zinc/13/98/23/202139823.db2.gz GTYSDQKWQYMEPL-SECBINFHSA-N 1 2 259.313 0.217 40 0 CCABLO CC(C)Nc1cc(-c2cccnc2)[nH+]c(N[C@H](C)CO)n1 ZINC000329005340 202149543 /nfs/dbraw/zinc/14/95/43/202149543.db2.gz KXZXXFMIVQOWAO-LLVKDONJSA-N 1 2 287.367 0.995 40 0 CCABLO CCOC[C@@H]1Cc2c([nH+]cn2C)CN1CC(=O)N(C)C ZINC000585094698 359246533 /nfs/dbraw/zinc/24/65/33/359246533.db2.gz HVELHKGYHIJKJM-NSHDSACASA-N 1 2 280.372 0.272 40 0 CCABLO Cn1c[nH+]c2c1C[C@@H](CO)N(C(=O)C1=CCCC1)C2 ZINC000585094802 359246541 /nfs/dbraw/zinc/24/65/41/359246541.db2.gz NKZVBNKYTPDHJG-NSHDSACASA-N 1 2 261.325 0.776 40 0 CCABLO Cn1c[nH+]c2c1C[C@@H](CO)N(C(=O)c1cccnc1)C2 ZINC000585094792 359246748 /nfs/dbraw/zinc/24/67/48/359246748.db2.gz MYZRTGHBYCLHGC-NSHDSACASA-N 1 2 272.308 0.375 40 0 CCABLO O=C(Cn1cccn1)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257219014 190014111 /nfs/dbraw/zinc/01/41/11/190014111.db2.gz DFGKZNSWFYDNNJ-YRGRVCCFSA-N 1 2 289.339 0.351 40 0 CCABLO Cc1cc(C[N@@H+]2CC[C@H]3OCC(=O)N(C)[C@H]3C2)no1 ZINC000257280605 190025402 /nfs/dbraw/zinc/02/54/02/190025402.db2.gz OLOAWFRYERZGPV-NWDGAFQWSA-N 1 2 265.313 0.415 40 0 CCABLO Cc1cc(C[N@H+]2CC[C@H]3OCC(=O)N(C)[C@H]3C2)no1 ZINC000257280605 190025403 /nfs/dbraw/zinc/02/54/03/190025403.db2.gz OLOAWFRYERZGPV-NWDGAFQWSA-N 1 2 265.313 0.415 40 0 CCABLO COc1ccc([C@H]2CN(S(C)(=O)=O)CC[N@@H+]2C)cc1 ZINC000257276497 190024451 /nfs/dbraw/zinc/02/44/51/190024451.db2.gz NTZYJJGAWPNALD-CYBMUJFWSA-N 1 2 284.381 0.943 40 0 CCABLO COc1ccc([C@H]2CN(S(C)(=O)=O)CC[N@H+]2C)cc1 ZINC000257276497 190024452 /nfs/dbraw/zinc/02/44/52/190024452.db2.gz NTZYJJGAWPNALD-CYBMUJFWSA-N 1 2 284.381 0.943 40 0 CCABLO COCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1nccn1C ZINC000096186223 389048273 /nfs/dbraw/zinc/04/82/73/389048273.db2.gz AHBCAIHJKDEUKV-CHWSQXEVSA-N 1 2 292.383 0.632 40 0 CCABLO COCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1nccn1C ZINC000096186223 389048276 /nfs/dbraw/zinc/04/82/76/389048276.db2.gz AHBCAIHJKDEUKV-CHWSQXEVSA-N 1 2 292.383 0.632 40 0 CCABLO CCS(=O)(=O)N1Cc2[nH+]ccn2C[C@H](COC)C1 ZINC000096187782 389048514 /nfs/dbraw/zinc/04/85/14/389048514.db2.gz JOGJCXCUYKWGGR-JTQLQIEISA-N 1 2 273.358 0.311 40 0 CCABLO CN1CCN(C(=O)c2ccnnc2)Cc2ccc[nH+]c21 ZINC000096198789 389050507 /nfs/dbraw/zinc/05/05/07/389050507.db2.gz LTQOGWHCEJINIW-UHFFFAOYSA-N 1 2 269.308 0.964 40 0 CCABLO CC(=O)N1CCc2[nH+]cc(CNC(=O)CC3CC3)n2CC1 ZINC000096197054 389050514 /nfs/dbraw/zinc/05/05/14/389050514.db2.gz MEJCRTPHCHYNNY-UHFFFAOYSA-N 1 2 290.367 0.704 40 0 CCABLO C[N@@H+]1CCNC(=O)C12CCN(C(=O)c1ccccc1)CC2 ZINC000096230413 389055365 /nfs/dbraw/zinc/05/53/65/389055365.db2.gz CMUTWSGWWXNNLC-UHFFFAOYSA-N 1 2 287.363 0.723 40 0 CCABLO C[N@H+]1CCNC(=O)C12CCN(C(=O)c1ccccc1)CC2 ZINC000096230413 389055370 /nfs/dbraw/zinc/05/53/70/389055370.db2.gz CMUTWSGWWXNNLC-UHFFFAOYSA-N 1 2 287.363 0.723 40 0 CCABLO CCOCc1nnc2n1CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000096259011 389057829 /nfs/dbraw/zinc/05/78/29/389057829.db2.gz PWDHTFRLANJNKH-UHFFFAOYSA-N 1 2 276.344 0.564 40 0 CCABLO CCOCc1nnc2n1CC[N@H+](Cc1cnn(C)c1)C2 ZINC000096259011 389057831 /nfs/dbraw/zinc/05/78/31/389057831.db2.gz PWDHTFRLANJNKH-UHFFFAOYSA-N 1 2 276.344 0.564 40 0 CCABLO CN1C(=O)c2ccc(F)cc2O[C@H]2C[N@H+](C3COC3)C[C@H]21 ZINC000514288669 390466713 /nfs/dbraw/zinc/46/67/13/390466713.db2.gz QAJJNVWNTHOCLS-OCCSQVGLSA-N 1 2 292.310 0.742 40 0 biogenic,in-vitro CCABLO CN1C(=O)c2ccc(F)cc2O[C@H]2C[N@@H+](C3COC3)C[C@H]21 ZINC000514288669 390466718 /nfs/dbraw/zinc/46/67/18/390466718.db2.gz QAJJNVWNTHOCLS-OCCSQVGLSA-N 1 2 292.310 0.742 40 0 biogenic,in-vitro CCABLO C[C@H]1C[NH+](Cc2ccnc(N3CCOCC3)n2)C[C@H](C)O1 ZINC000072397382 134987944 /nfs/dbraw/zinc/98/79/44/134987944.db2.gz QZGYJJNJDSSZEK-STQMWFEESA-N 1 2 292.383 0.922 40 0 CCABLO CN1C=[NH+]c2c(ncn2[C@H]2CC[C@@H](CO)O2)[C@@H]1O ZINC000005883815 170150147 /nfs/dbraw/zinc/15/01/47/170150147.db2.gz YWTQNDFEJJIOOG-RNSXUZJQSA-N 1 2 252.274 0.149 40 0 CCABLO NC(=O)CSC1=[NH+][C@H]2C=Cc3nsnc3[C@H]2N1 ZINC000006613366 170218788 /nfs/dbraw/zinc/21/87/88/170218788.db2.gz VUWFSIGZWLMWLZ-FFWSUHOLSA-N 1 2 267.339 0.152 40 0 CCABLO CNC(=O)[C@@]1(C)C[N@H+](Cc2ccnc(C)n2)CCO1 ZINC000072379737 176386447 /nfs/dbraw/zinc/38/64/47/176386447.db2.gz KWIODSQDMKGKRW-CYBMUJFWSA-N 1 2 264.329 0.122 40 0 CCABLO CNC(=O)[C@@]1(C)C[N@@H+](Cc2ccnc(C)n2)CCO1 ZINC000072379737 176386448 /nfs/dbraw/zinc/38/64/48/176386448.db2.gz KWIODSQDMKGKRW-CYBMUJFWSA-N 1 2 264.329 0.122 40 0 CCABLO CN(C)c1cc(C2CCN(C(=O)CO)CC2)cc[nH+]1 ZINC000072380882 176387262 /nfs/dbraw/zinc/38/72/62/176387262.db2.gz CFWLUGYZIFZPSI-UHFFFAOYSA-N 1 2 263.341 0.846 40 0 CCABLO CC(=O)N1CC[NH2+][C@H](C(=O)N2CCCCCC2)C1 ZINC000257250978 278044929 /nfs/dbraw/zinc/04/49/29/278044929.db2.gz JOUVCZHKTYJQSV-LBPRGKRZSA-N 1 2 253.346 0.209 40 0 CCABLO CNc1ncccc1C[N@@H+]1CCO[C@@](C)(C(=O)N(C)C)C1 ZINC000019746900 348068978 /nfs/dbraw/zinc/06/89/78/348068978.db2.gz HRAKZGPYTPEZIY-OAHLLOKOSA-N 1 2 292.383 0.802 40 0 CCABLO CNc1ncccc1C[N@H+]1CCO[C@@](C)(C(=O)N(C)C)C1 ZINC000019746900 348068983 /nfs/dbraw/zinc/06/89/83/348068983.db2.gz HRAKZGPYTPEZIY-OAHLLOKOSA-N 1 2 292.383 0.802 40 0 CCABLO CCc1ncc(C[N@@H+]2CCO[C@@](C)(C(=O)N(C)C)C2)cn1 ZINC000019746894 348069321 /nfs/dbraw/zinc/06/93/21/348069321.db2.gz SZOVHNRGDHZMMQ-OAHLLOKOSA-N 1 2 292.383 0.718 40 0 CCABLO CCc1ncc(C[N@H+]2CCO[C@@](C)(C(=O)N(C)C)C2)cn1 ZINC000019746894 348069322 /nfs/dbraw/zinc/06/93/22/348069322.db2.gz SZOVHNRGDHZMMQ-OAHLLOKOSA-N 1 2 292.383 0.718 40 0 CCABLO Cn1cnc2cc(C(=O)NCC[NH+]3CCOCC3)ccc21 ZINC000074705422 348999470 /nfs/dbraw/zinc/99/94/70/348999470.db2.gz FOIJWJQGKKCHCD-UHFFFAOYSA-N 1 2 288.351 0.635 40 0 CCABLO CCNC(=O)c1cc(N)ccc1NCC[NH+]1CCOCC1 ZINC000225497289 352007568 /nfs/dbraw/zinc/00/75/68/352007568.db2.gz UCZVOACCCMCJGJ-UHFFFAOYSA-N 1 2 292.383 0.763 40 0 CCABLO C[N@H+](Cc1cccc(Cl)c1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000250223970 352503606 /nfs/dbraw/zinc/50/36/06/352503606.db2.gz IVFACUHUWGVKFS-NWDGAFQWSA-N 1 2 289.784 0.930 40 0 CCABLO C[N@@H+](Cc1cccc(Cl)c1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000250223970 352503608 /nfs/dbraw/zinc/50/36/08/352503608.db2.gz IVFACUHUWGVKFS-NWDGAFQWSA-N 1 2 289.784 0.930 40 0 CCABLO Cn1nccc1C(=O)N1CC[C@]2(CCn3cc[nH+]c32)C1 ZINC000306144618 354173495 /nfs/dbraw/zinc/17/34/95/354173495.db2.gz ZKHACNVHGGQBEH-CQSZACIVSA-N 1 2 271.324 0.804 40 0 CCABLO NC(=O)[C@@]1(O)CCC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000330364995 354326214 /nfs/dbraw/zinc/32/62/14/354326214.db2.gz BYZCWXKZVWXRCT-SECBINFHSA-N 1 2 283.250 0.027 40 0 CCABLO NC(=O)[C@@]1(O)CCC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000330364995 354326215 /nfs/dbraw/zinc/32/62/15/354326215.db2.gz BYZCWXKZVWXRCT-SECBINFHSA-N 1 2 283.250 0.027 40 0 CCABLO CN(C)C(=O)CC[C@@]1(O)CCC[N@H+](Cc2nccn2C)C1 ZINC000585276901 359258556 /nfs/dbraw/zinc/25/85/56/359258556.db2.gz SQMWXDQCZDSLNJ-HNNXBMFYSA-N 1 2 294.399 0.615 40 0 CCABLO CN(C)C(=O)CC[C@@]1(O)CCC[N@@H+](Cc2nccn2C)C1 ZINC000585276901 359258558 /nfs/dbraw/zinc/25/85/58/359258558.db2.gz SQMWXDQCZDSLNJ-HNNXBMFYSA-N 1 2 294.399 0.615 40 0 CCABLO COCCC(=O)N1Cc2[nH+]cn(C)c2C[C@H]1COC ZINC000585094887 359246806 /nfs/dbraw/zinc/24/68/06/359246806.db2.gz SDUQJSKASWTIBR-JTQLQIEISA-N 1 2 267.329 0.356 40 0 CCABLO Cc1ocnc1C(=O)N[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257288683 190026757 /nfs/dbraw/zinc/02/67/57/190026757.db2.gz PVDSXEJKDIABRH-CKYFFXLPSA-N 1 2 276.296 0.674 40 0 CCABLO O=C(c1ccnnc1)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257325520 190034167 /nfs/dbraw/zinc/03/41/67/190034167.db2.gz WTHSQBBXCMXEHT-STQMWFEESA-N 1 2 287.323 0.511 40 0 CCABLO COCCN1C(=O)CO[C@H]2C[N@@H+](Cc3ccncc3)C[C@H]21 ZINC000067897294 285004971 /nfs/dbraw/zinc/00/49/71/285004971.db2.gz VWGSAUKGNPVFPQ-KGLIPLIRSA-N 1 2 291.351 0.140 40 0 biogenic,in-vitro CCABLO COCCN1C(=O)CO[C@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC000067897294 285004974 /nfs/dbraw/zinc/00/49/74/285004974.db2.gz VWGSAUKGNPVFPQ-KGLIPLIRSA-N 1 2 291.351 0.140 40 0 biogenic,in-vitro CCABLO COCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000024378649 388807345 /nfs/dbraw/zinc/80/73/45/388807345.db2.gz HQZXDKYGXVJZIU-UHFFFAOYSA-N 1 2 278.352 0.781 40 0 CCABLO CC(C)[N@@H+]1CCc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC000096187400 389047899 /nfs/dbraw/zinc/04/78/99/389047899.db2.gz NOYPXDOQGSWLRI-UHFFFAOYSA-N 1 2 278.356 0.649 40 0 CCABLO CC(C)[N@H+]1CCc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC000096187400 389047906 /nfs/dbraw/zinc/04/79/06/389047906.db2.gz NOYPXDOQGSWLRI-UHFFFAOYSA-N 1 2 278.356 0.649 40 0 CCABLO CC(=O)N1CCOC[C@]2(C[N@H+](Cc3ccoc3)CCO2)C1 ZINC000096229520 389053866 /nfs/dbraw/zinc/05/38/66/389053866.db2.gz MUXXLWIOKIENJD-HNNXBMFYSA-N 1 2 294.351 0.729 40 0 CCABLO CC(=O)N1CCOC[C@]2(C[N@@H+](Cc3ccoc3)CCO2)C1 ZINC000096229520 389053873 /nfs/dbraw/zinc/05/38/73/389053873.db2.gz MUXXLWIOKIENJD-HNNXBMFYSA-N 1 2 294.351 0.729 40 0 CCABLO CC[N@H+](Cc1cccc(F)c1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000575421496 390839732 /nfs/dbraw/zinc/83/97/32/390839732.db2.gz QTUWFFYXNMDKJI-STQMWFEESA-N 1 2 287.356 0.806 40 0 CCABLO CC[N@@H+](Cc1cccc(F)c1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000575421496 390839735 /nfs/dbraw/zinc/83/97/35/390839735.db2.gz QTUWFFYXNMDKJI-STQMWFEESA-N 1 2 287.356 0.806 40 0 CCABLO Cn1c2ccccc2[nH+]c1N1CCN(S(C)(=O)=O)CC1 ZINC000044443735 175176185 /nfs/dbraw/zinc/17/61/85/175176185.db2.gz NOBHYOOLPWGANR-UHFFFAOYSA-N 1 2 294.380 0.655 40 0 CCABLO CC(C)n1nccc1C[N@@H+]1CCO[C@@](C)(C(N)=O)C1 ZINC000072379931 176386977 /nfs/dbraw/zinc/38/69/77/176386977.db2.gz HTJVJPDDWDPRQJ-CYBMUJFWSA-N 1 2 266.345 0.540 40 0 CCABLO CC(C)n1nccc1C[N@H+]1CCO[C@@](C)(C(N)=O)C1 ZINC000072379931 176386978 /nfs/dbraw/zinc/38/69/78/176386978.db2.gz HTJVJPDDWDPRQJ-CYBMUJFWSA-N 1 2 266.345 0.540 40 0 CCABLO Cc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1 ZINC000101370741 349662164 /nfs/dbraw/zinc/66/21/64/349662164.db2.gz NTBWZJPOWXTNPN-UHFFFAOYSA-O 1 2 280.373 0.979 40 0 CCABLO Cc1ccc(C[N@H+](CCO)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000072970833 348939130 /nfs/dbraw/zinc/93/91/30/348939130.db2.gz RQHSNETUBVBQSS-AWEZNQCLSA-N 1 2 283.393 0.976 40 0 CCABLO Cc1ccc(C[N@@H+](CCO)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000072970833 348939134 /nfs/dbraw/zinc/93/91/34/348939134.db2.gz RQHSNETUBVBQSS-AWEZNQCLSA-N 1 2 283.393 0.976 40 0 CCABLO Cc1cc(N2CCC[C@H](c3cc(=O)[nH]c(N)n3)C2)nc[nH+]1 ZINC000072366679 348921903 /nfs/dbraw/zinc/92/19/03/348921903.db2.gz KTTNICSJVRULQF-JTQLQIEISA-N 1 2 286.339 0.835 40 0 CCABLO CCOCC[NH+]1CCN(C(=O)c2cn[nH]c2)CC1 ZINC000110922696 186332116 /nfs/dbraw/zinc/33/21/16/186332116.db2.gz ITVRWNWVPUQEIW-UHFFFAOYSA-N 1 2 252.318 0.204 40 0 CCABLO Cc1nc(N2CCC[C@](C)(C(=O)NCCO)C2)cc[nH+]1 ZINC000257227959 352551741 /nfs/dbraw/zinc/55/17/41/352551741.db2.gz FRTLLHQDBMTLAO-AWEZNQCLSA-N 1 2 278.356 0.500 40 0 CCABLO Cn1c[nH+]c2c1C[C@@H](CO)N(Cc1ccc(CO)cc1)C2 ZINC000585094945 359245587 /nfs/dbraw/zinc/24/55/87/359245587.db2.gz VSVMBLSBTQFZIX-AWEZNQCLSA-N 1 2 287.363 0.832 40 0 CCABLO Cn1cnc2c1C[C@@H](CO)[N@H+](Cc1ccc(CO)cc1)C2 ZINC000585094945 359245593 /nfs/dbraw/zinc/24/55/93/359245593.db2.gz VSVMBLSBTQFZIX-AWEZNQCLSA-N 1 2 287.363 0.832 40 0 CCABLO Cn1cnc2c1C[C@@H](CO)[N@@H+](Cc1ccc(CO)cc1)C2 ZINC000585094945 359245598 /nfs/dbraw/zinc/24/55/98/359245598.db2.gz VSVMBLSBTQFZIX-AWEZNQCLSA-N 1 2 287.363 0.832 40 0 CCABLO CCn1cc(CN2Cc3[nH+]cn(C)c3C[C@@H]2CO)cn1 ZINC000585094545 359245762 /nfs/dbraw/zinc/24/57/62/359245762.db2.gz AQJWOSOMLOEIHD-GFCCVEGCSA-N 1 2 275.356 0.556 40 0 CCABLO Cc1[nH+]c[nH]c1CN1CCO[C@@](C)(C(=O)N(C)C)C1 ZINC000257313673 190031894 /nfs/dbraw/zinc/03/18/94/190031894.db2.gz UTOVBUSTYZQMKU-CYBMUJFWSA-N 1 2 266.345 0.397 40 0 CCABLO CN(C)C(=O)[C@H]1CN(C)CC[N@H+](CC2(O)CCCCC2)C1 ZINC000257325639 190034262 /nfs/dbraw/zinc/03/42/62/190034262.db2.gz WTUKCLGPYIPBHP-AWEZNQCLSA-N 1 2 297.443 0.633 40 0 CCABLO CN(C)C(=O)[C@H]1CN(C)CC[N@@H+](CC2(O)CCCCC2)C1 ZINC000257325639 190034263 /nfs/dbraw/zinc/03/42/63/190034263.db2.gz WTUKCLGPYIPBHP-AWEZNQCLSA-N 1 2 297.443 0.633 40 0 CCABLO CC(C)[N@@H+]1CCN(C(=O)c2ccc(F)cc2)C[C@@H]1C(N)=O ZINC000257327975 190035134 /nfs/dbraw/zinc/03/51/34/190035134.db2.gz XDQGOCBSOOWIQY-CYBMUJFWSA-N 1 2 293.342 0.846 40 0 CCABLO CC(C)[N@H+]1CCN(C(=O)c2ccc(F)cc2)C[C@@H]1C(N)=O ZINC000257327975 190035135 /nfs/dbraw/zinc/03/51/35/190035135.db2.gz XDQGOCBSOOWIQY-CYBMUJFWSA-N 1 2 293.342 0.846 40 0 CCABLO CNC(=O)[C@@H]1CN(Cc2ncc[nH]2)CC[N@@H+]1C(C)C ZINC000257333625 190035741 /nfs/dbraw/zinc/03/57/41/190035741.db2.gz YCILWJWWRPRPET-NSHDSACASA-N 1 2 265.361 0.050 40 0 CCABLO CNC(=O)[C@@H]1CN(Cc2ncc[nH]2)CC[N@H+]1C(C)C ZINC000257333625 190035742 /nfs/dbraw/zinc/03/57/42/190035742.db2.gz YCILWJWWRPRPET-NSHDSACASA-N 1 2 265.361 0.050 40 0 CCABLO CC(C)C[N@@H+]1CC(=O)N2CCC[C@H](C)N2C(=O)C1 ZINC000005707515 388764014 /nfs/dbraw/zinc/76/40/14/388764014.db2.gz VUBLPJLURZRNKQ-NSHDSACASA-N 1 2 253.346 0.713 40 0 CCABLO CC(C)C[N@H+]1CC(=O)N2CCC[C@H](C)N2C(=O)C1 ZINC000005707515 388764016 /nfs/dbraw/zinc/76/40/16/388764016.db2.gz VUBLPJLURZRNKQ-NSHDSACASA-N 1 2 253.346 0.713 40 0 CCABLO CNc1ccncc1S(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000071229676 388957788 /nfs/dbraw/zinc/95/77/88/388957788.db2.gz IKSHNBKTXBWPLU-UHFFFAOYSA-N 1 2 298.412 0.838 40 0 CCABLO Cc1nc(N2CCO[C@@](C)(C(=O)N(C)C)C2)cc[nH+]1 ZINC000072379711 388961929 /nfs/dbraw/zinc/96/19/29/388961929.db2.gz WPWZNHXEFIYDIU-CYBMUJFWSA-N 1 2 264.329 0.469 40 0 CCABLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)OC(C)(C)C ZINC000016697870 170710002 /nfs/dbraw/zinc/71/00/02/170710002.db2.gz OAFFPKBXWFPANL-VIFPVBQESA-N 1 2 258.318 0.758 40 0 CCABLO O=C(C[C@H]1[NH2+]CCNC1=O)Nc1ccc(F)c(F)c1 ZINC000020634703 171268239 /nfs/dbraw/zinc/26/82/39/171268239.db2.gz AAWFIMCBNBVHPW-SNVBAGLBSA-N 1 2 269.251 0.381 40 0 CCABLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)NC2)NCc1cccs1 ZINC000072373433 176384649 /nfs/dbraw/zinc/38/46/49/176384649.db2.gz SCMVKBZQTCWCAA-WDEREUQCSA-N 1 2 293.392 0.717 40 0 CCABLO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(=O)NC2)NCc1cccs1 ZINC000072373433 176384651 /nfs/dbraw/zinc/38/46/51/176384651.db2.gz SCMVKBZQTCWCAA-WDEREUQCSA-N 1 2 293.392 0.717 40 0 CCABLO CNC(=O)[C@]1(C)C[N@H+](Cc2ccnc(C)n2)CCO1 ZINC000072379738 176386454 /nfs/dbraw/zinc/38/64/54/176386454.db2.gz KWIODSQDMKGKRW-ZDUSSCGKSA-N 1 2 264.329 0.122 40 0 CCABLO CNC(=O)[C@]1(C)C[N@@H+](Cc2ccnc(C)n2)CCO1 ZINC000072379738 176386456 /nfs/dbraw/zinc/38/64/56/176386456.db2.gz KWIODSQDMKGKRW-ZDUSSCGKSA-N 1 2 264.329 0.122 40 0 CCABLO CN1c2ncccc2C[N@H+](C2COC2)CC[C@H]1CO ZINC000225493042 290322363 /nfs/dbraw/zinc/32/23/63/290322363.db2.gz AXYZDYNXXKZSTP-LBPRGKRZSA-N 1 2 263.341 0.483 40 0 biogenic,in-vitro CCABLO CN1c2ncccc2C[N@@H+](C2COC2)CC[C@H]1CO ZINC000225493042 290322366 /nfs/dbraw/zinc/32/23/66/290322366.db2.gz AXYZDYNXXKZSTP-LBPRGKRZSA-N 1 2 263.341 0.483 40 0 biogenic,in-vitro CCABLO CCCn1[nH]cc/c1=N\C(=O)C[N@@H+]1CCC[C@H]1CO ZINC000102730509 349683176 /nfs/dbraw/zinc/68/31/76/349683176.db2.gz UWDKEEMJDQEPMM-NUFCYMDASA-N 1 2 266.345 0.110 40 0 CCABLO CCCn1[nH]cc/c1=N\C(=O)C[N@H+]1CCC[C@H]1CO ZINC000102730509 349683180 /nfs/dbraw/zinc/68/31/80/349683180.db2.gz UWDKEEMJDQEPMM-NUFCYMDASA-N 1 2 266.345 0.110 40 0 CCABLO Nc1nc(N)c(N)c(Nc2ccc(CCO)cc2)[nH+]1 ZINC000001681560 347960105 /nfs/dbraw/zinc/96/01/05/347960105.db2.gz BUUMRZQHOALKLR-UHFFFAOYSA-N 1 2 260.301 0.502 40 0 CCABLO Nc1nc(Nc2ccc(CCO)cc2)c(N)c(N)[nH+]1 ZINC000001681560 347960107 /nfs/dbraw/zinc/96/01/07/347960107.db2.gz BUUMRZQHOALKLR-UHFFFAOYSA-N 1 2 260.301 0.502 40 0 CCABLO Cn1cc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3CO)cn1 ZINC000107803738 186191625 /nfs/dbraw/zinc/19/16/25/186191625.db2.gz FYSBOQUOJXQKJR-YNEHKIRRSA-N 1 2 251.330 0.392 40 0 CCABLO Cn1cc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3CO)cn1 ZINC000107803738 186191627 /nfs/dbraw/zinc/19/16/27/186191627.db2.gz FYSBOQUOJXQKJR-YNEHKIRRSA-N 1 2 251.330 0.392 40 0 CCABLO CC(=O)c1ccc(N(C)C[C@H](O)C[NH+]2CCOCC2)nc1 ZINC000181210220 351307356 /nfs/dbraw/zinc/30/73/56/351307356.db2.gz MRQUWSFAUNNKGN-AWEZNQCLSA-N 1 2 293.367 0.414 40 0 CCABLO C[C@@H]1[NH2+]CCn2cc(C(=O)NCc3ccccn3)nc21 ZINC000247970892 352427988 /nfs/dbraw/zinc/42/79/88/352427988.db2.gz SFFGIZJNQOQMOH-JTQLQIEISA-N 1 2 271.324 0.872 40 0 CCABLO Cn1c[nH+]c2c1C[C@H](CO)N(C(=O)c1ccccn1)C2 ZINC000585094762 359246518 /nfs/dbraw/zinc/24/65/18/359246518.db2.gz LQFJBVORBBPRNG-SNVBAGLBSA-N 1 2 272.308 0.375 40 0 CCABLO CS(=O)(=O)NC[C@@H]1C[N@H+](CC2CCC2)Cc2ccnn21 ZINC000585112718 359250789 /nfs/dbraw/zinc/25/07/89/359250789.db2.gz UJMMGJRHCVGWQP-CYBMUJFWSA-N 1 2 298.412 0.589 40 0 CCABLO CS(=O)(=O)NC[C@@H]1C[N@@H+](CC2CCC2)Cc2ccnn21 ZINC000585112718 359250791 /nfs/dbraw/zinc/25/07/91/359250791.db2.gz UJMMGJRHCVGWQP-CYBMUJFWSA-N 1 2 298.412 0.589 40 0 CCABLO COc1ccc(C[N@@H+]2CCO[C@@](C)(C(N)=O)C2)c(F)c1 ZINC000257207237 190011350 /nfs/dbraw/zinc/01/13/50/190011350.db2.gz BGYVDXIPOMSJQO-CQSZACIVSA-N 1 2 282.315 0.911 40 0 CCABLO COc1ccc(C[N@H+]2CCO[C@@](C)(C(N)=O)C2)c(F)c1 ZINC000257207237 190011351 /nfs/dbraw/zinc/01/13/51/190011351.db2.gz BGYVDXIPOMSJQO-CQSZACIVSA-N 1 2 282.315 0.911 40 0 CCABLO CNc1nccnc1[C@@H]1CN(Cc2c[nH+]cn2C)CCO1 ZINC000257288245 190027094 /nfs/dbraw/zinc/02/70/94/190027094.db2.gz PTMJYZLDFFSMKC-LBPRGKRZSA-N 1 2 288.355 0.825 40 0 CCABLO COc1ccc([C@@H]2CN(S(C)(=O)=O)CC[N@@H+]2C)cc1 ZINC000257276498 190025140 /nfs/dbraw/zinc/02/51/40/190025140.db2.gz NTZYJJGAWPNALD-ZDUSSCGKSA-N 1 2 284.381 0.943 40 0 CCABLO COc1ccc([C@@H]2CN(S(C)(=O)=O)CC[N@H+]2C)cc1 ZINC000257276498 190025141 /nfs/dbraw/zinc/02/51/41/190025141.db2.gz NTZYJJGAWPNALD-ZDUSSCGKSA-N 1 2 284.381 0.943 40 0 CCABLO Cc1cn(C)c([C@H]2CCCN(S(C)(=O)=O)C2)[nH+]1 ZINC000257311344 190032262 /nfs/dbraw/zinc/03/22/62/190032262.db2.gz UJAFBQRURKVWIM-JTQLQIEISA-N 1 2 257.359 0.868 40 0 CCABLO CNc1nccnc1[C@H]1CN(Cc2cn(C)c[nH+]2)CCO1 ZINC000257316932 190032803 /nfs/dbraw/zinc/03/28/03/190032803.db2.gz VHPRFYFZCKRUIL-GFCCVEGCSA-N 1 2 288.355 0.825 40 0 CCABLO CO[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1OC ZINC000281487672 195261770 /nfs/dbraw/zinc/26/17/70/195261770.db2.gz FJRHFXGZRWQQBK-PHIMTYICSA-N 1 2 253.302 0.215 40 0 CCABLO CO[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1OC ZINC000281487672 195261773 /nfs/dbraw/zinc/26/17/73/195261773.db2.gz FJRHFXGZRWQQBK-PHIMTYICSA-N 1 2 253.302 0.215 40 0 CCABLO COc1cccc([C@@H]([NH3+])c2nnc(Cn3cncn3)[nH]2)c1 ZINC000095533547 389042724 /nfs/dbraw/zinc/04/27/24/389042724.db2.gz VOZAOVURDMGOKT-GFCCVEGCSA-N 1 2 285.311 0.501 40 0 CCABLO Cc1nc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cs1 ZINC000108528641 389098137 /nfs/dbraw/zinc/09/81/37/389098137.db2.gz UBSXJTWBRISVAO-RYUDHWBXSA-N 1 2 281.381 0.997 40 0 CCABLO Cc1nc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cs1 ZINC000108528641 389098140 /nfs/dbraw/zinc/09/81/40/389098140.db2.gz UBSXJTWBRISVAO-RYUDHWBXSA-N 1 2 281.381 0.997 40 0 CCABLO Cc1nc([C@H]2CCCC[N@@H+]2CC(N)=O)cc(=O)[nH]1 ZINC000072361152 176377736 /nfs/dbraw/zinc/37/77/36/176377736.db2.gz BHPOCIPPZQJMRD-SNVBAGLBSA-N 1 2 250.302 0.091 40 0 CCABLO Cc1nc([C@H]2CCCC[N@H+]2CC(N)=O)cc(=O)[nH]1 ZINC000072361152 176377738 /nfs/dbraw/zinc/37/77/38/176377738.db2.gz BHPOCIPPZQJMRD-SNVBAGLBSA-N 1 2 250.302 0.091 40 0 CCABLO Cc1cc(N2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)nc[nH+]1 ZINC000257312061 278718282 /nfs/dbraw/zinc/71/82/82/278718282.db2.gz UMHLIAOKCOFHLQ-CHWSQXEVSA-N 1 2 299.334 0.160 40 0 CCABLO O=C(C[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)NCc1cccs1 ZINC000248004174 334293243 /nfs/dbraw/zinc/29/32/43/334293243.db2.gz SCMVKBZQTCWCAA-MNOVXSKESA-N 1 2 293.392 0.717 40 0 CCABLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)NCc1cccs1 ZINC000248004174 334293244 /nfs/dbraw/zinc/29/32/44/334293244.db2.gz SCMVKBZQTCWCAA-MNOVXSKESA-N 1 2 293.392 0.717 40 0 CCABLO CNC(=O)[C@@]1(C)C[N@H+](Cc2cccnc2NC)CCO1 ZINC000019746898 348069317 /nfs/dbraw/zinc/06/93/17/348069317.db2.gz LKDVGNSXTCKHFW-CQSZACIVSA-N 1 2 278.356 0.460 40 0 CCABLO CNC(=O)[C@@]1(C)C[N@@H+](Cc2cccnc2NC)CCO1 ZINC000019746898 348069318 /nfs/dbraw/zinc/06/93/18/348069318.db2.gz LKDVGNSXTCKHFW-CQSZACIVSA-N 1 2 278.356 0.460 40 0 CCABLO C[N@H+](Cc1cccc(Cl)c1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000042210278 348269758 /nfs/dbraw/zinc/26/97/58/348269758.db2.gz IVFACUHUWGVKFS-NEPJUHHUSA-N 1 2 289.784 0.930 40 0 CCABLO C[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000042210278 348269759 /nfs/dbraw/zinc/26/97/59/348269759.db2.gz IVFACUHUWGVKFS-NEPJUHHUSA-N 1 2 289.784 0.930 40 0 CCABLO CCOC[C@@H]1Cc2c([nH+]cn2C)CN1S(=O)(=O)CC ZINC000585094883 359245563 /nfs/dbraw/zinc/24/55/63/359245563.db2.gz RYHSVSDGFPUIDE-JTQLQIEISA-N 1 2 287.385 0.533 40 0 CCABLO Cn1c[nH+]c2c1C[C@@H](CO)N(C(=O)COC1CCCC1)C2 ZINC000585094834 359245727 /nfs/dbraw/zinc/24/57/27/359245727.db2.gz OSVQZYMONDGRDC-NSHDSACASA-N 1 2 293.367 0.625 40 0 CCABLO COC[C@@H]1CCn2nccc2C[N@@H+]1CC(=O)N(C)C ZINC000585097480 359247584 /nfs/dbraw/zinc/24/75/84/359247584.db2.gz MFYABEIICADLPC-LBPRGKRZSA-N 1 2 266.345 0.192 40 0 CCABLO COC[C@@H]1CCn2nccc2C[N@H+]1CC(=O)N(C)C ZINC000585097480 359247588 /nfs/dbraw/zinc/24/75/88/359247588.db2.gz MFYABEIICADLPC-LBPRGKRZSA-N 1 2 266.345 0.192 40 0 CCABLO Cc1cc(C[N@@H+]2Cc3ccnn3CC[C@@H]2CO)[nH]n1 ZINC000585097378 359248523 /nfs/dbraw/zinc/24/85/23/359248523.db2.gz KMVKVXIUBTWHAI-CYBMUJFWSA-N 1 2 261.329 0.681 40 0 CCABLO Cc1cc(C[N@H+]2Cc3ccnn3CC[C@@H]2CO)[nH]n1 ZINC000585097378 359248524 /nfs/dbraw/zinc/24/85/24/359248524.db2.gz KMVKVXIUBTWHAI-CYBMUJFWSA-N 1 2 261.329 0.681 40 0 CCABLO CS(=O)(=O)NC[C@@H]1C[N@@H+](C2CCCC2)Cc2ccnn21 ZINC000585111779 359250141 /nfs/dbraw/zinc/25/01/41/359250141.db2.gz HCQCLOLFQJDAGT-CYBMUJFWSA-N 1 2 298.412 0.732 40 0 CCABLO CS(=O)(=O)NC[C@@H]1C[N@H+](C2CCCC2)Cc2ccnn21 ZINC000585111779 359250143 /nfs/dbraw/zinc/25/01/43/359250143.db2.gz HCQCLOLFQJDAGT-CYBMUJFWSA-N 1 2 298.412 0.732 40 0 CCABLO CO[C@@H]1CCC[C@@H](N(C)C(=O)C=Cc2c[nH]c[nH+]2)[C@H]1O ZINC000585290925 359262193 /nfs/dbraw/zinc/26/21/93/359262193.db2.gz IXVGDJCRGAKKND-MBWJUEOUSA-N 1 2 279.340 0.810 40 0 CCABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccnn2C)[nH+]1 ZINC000257326981 291618742 /nfs/dbraw/zinc/61/87/42/291618742.db2.gz WZIRIMXAINFOMY-LLVKDONJSA-N 1 2 275.312 0.665 40 0 CCABLO Cc1cn(C)c([C@H]2CN(C(=O)Cn3cc[nH+]c3)CCO2)n1 ZINC000257243176 190018876 /nfs/dbraw/zinc/01/88/76/190018876.db2.gz IFTGDNPMDIHUKL-GFCCVEGCSA-N 1 2 289.339 0.525 40 0 CCABLO Cc1c[nH]c([C@H]2COCCN2S(=O)(=O)c2cn[nH]c2)[nH+]1 ZINC000257259094 190021612 /nfs/dbraw/zinc/02/16/12/190021612.db2.gz KWUKBUNJLQXNBL-SNVBAGLBSA-N 1 2 297.340 0.203 40 0 CCABLO Cc1c[nH]c([C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)n1 ZINC000257273174 190025042 /nfs/dbraw/zinc/02/50/42/190025042.db2.gz NFNYAYLOSGEYQY-LLVKDONJSA-N 1 2 275.312 0.584 40 0 CCABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cnccn2)[nH+]1 ZINC000257293461 190028297 /nfs/dbraw/zinc/02/82/97/190028297.db2.gz QPNAGLXSEPMADU-NSHDSACASA-N 1 2 273.296 0.722 40 0 CCABLO CC(C)N[C@]1(N(C)C)N=C(N(C)C)[NH+]=C(N(C)C)O1 ZINC000019319135 388792226 /nfs/dbraw/zinc/79/22/26/388792226.db2.gz OOMMAJGEAJFYPR-GFCCVEGCSA-N 1 2 270.381 0.023 40 0 CCABLO CCOCC(=O)N1CCOC[C@@H]1c1[nH]cc(C)[nH+]1 ZINC000257273786 286022584 /nfs/dbraw/zinc/02/25/84/286022584.db2.gz NIEDLAWDJDPFPU-SNVBAGLBSA-N 1 2 253.302 0.655 40 0 CCABLO COc1cc2nc(NCCO)[nH+]c(N)c2cc1OC ZINC000005570091 170115060 /nfs/dbraw/zinc/11/50/60/170115060.db2.gz XJPRVPXGRRKTQK-UHFFFAOYSA-N 1 2 264.285 0.633 40 0 CCABLO Cc1cc(N2CCC[C@H]2CCNS(C)(=O)=O)nc[nH+]1 ZINC000072369038 176383764 /nfs/dbraw/zinc/38/37/64/176383764.db2.gz DGYPZIQEXHPBDU-NSHDSACASA-N 1 2 284.385 0.693 40 0 CCABLO COCC(=O)N1CCC[C@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378461 176385514 /nfs/dbraw/zinc/38/55/14/176385514.db2.gz XHSKGDKADADTHK-LBPRGKRZSA-N 1 2 287.323 0.972 40 0 CCABLO COCCC(=O)N1CC[C@H](Cc2[nH+]ccn2C)C1 ZINC000072383352 176388907 /nfs/dbraw/zinc/38/89/07/176388907.db2.gz PLNAICDCEXXJJR-LLVKDONJSA-N 1 2 251.330 0.848 40 0 CCABLO Cn1cccc1C(=O)N[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257328882 279369185 /nfs/dbraw/zinc/36/91/85/279369185.db2.gz XHLXQXMWPQNYDQ-NQBHXWOUSA-N 1 2 274.324 0.716 40 0 CCABLO COc1cccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)n1 ZINC000085436150 179063122 /nfs/dbraw/zinc/06/31/22/179063122.db2.gz POLVHLORKLCUJD-NSHDSACASA-N 1 2 262.313 0.300 40 0 biogenic,in-vitro CCABLO COc1cccc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)n1 ZINC000085436150 179063123 /nfs/dbraw/zinc/06/31/23/179063123.db2.gz POLVHLORKLCUJD-NSHDSACASA-N 1 2 262.313 0.300 40 0 biogenic,in-vitro CCABLO O=C(Cn1nnc2ccccc21)NCCCn1cc[nH+]c1 ZINC000028224700 348105853 /nfs/dbraw/zinc/10/58/53/348105853.db2.gz PKUYGIRSVZRALU-UHFFFAOYSA-N 1 2 284.323 0.834 40 0 CCABLO CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCCCC1 ZINC000217359313 351946497 /nfs/dbraw/zinc/94/64/97/351946497.db2.gz DCAKIWRRWIMBKS-MNOVXSKESA-N 1 2 290.385 0.384 40 0 CCABLO CO[C@H]1Cn2nccc2C[N@H+](CC(=O)N2CCCC2)C1 ZINC000247839133 352425982 /nfs/dbraw/zinc/42/59/82/352425982.db2.gz KHCWXKOHHMWZRU-CYBMUJFWSA-N 1 2 278.356 0.336 40 0 CCABLO CO[C@H]1Cn2nccc2C[N@@H+](CC(=O)N2CCCC2)C1 ZINC000247839133 352425987 /nfs/dbraw/zinc/42/59/87/352425987.db2.gz KHCWXKOHHMWZRU-CYBMUJFWSA-N 1 2 278.356 0.336 40 0 CCABLO Cn1nccc1C(=O)N1CC[C@@]2(CCn3cc[nH+]c32)C1 ZINC000306144617 354173524 /nfs/dbraw/zinc/17/35/24/354173524.db2.gz ZKHACNVHGGQBEH-AWEZNQCLSA-N 1 2 271.324 0.804 40 0 CCABLO CC(=O)N[C@@H](c1nccs1)C1CC[NH+](CC(N)=O)CC1 ZINC000257204549 190011864 /nfs/dbraw/zinc/01/18/64/190011864.db2.gz AVDDVFGFKRZWQZ-GFCCVEGCSA-N 1 2 296.396 0.518 40 0 CCABLO O=C(Cn1ccnc1)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257230879 190016022 /nfs/dbraw/zinc/01/60/22/190016022.db2.gz GEIHHQWGQRDVDP-YRGRVCCFSA-N 1 2 289.339 0.351 40 0 CCABLO CN(C)C(=O)[C@@H]1CN(C)CC[N@H+](Cc2ccccn2)C1 ZINC000257255535 190020651 /nfs/dbraw/zinc/02/06/51/190020651.db2.gz KHVXDOLFLVZYSA-CYBMUJFWSA-N 1 2 276.384 0.533 40 0 CCABLO CN(C)C(=O)[C@@H]1CN(C)CC[N@@H+](Cc2ccccn2)C1 ZINC000257255535 190020652 /nfs/dbraw/zinc/02/06/52/190020652.db2.gz KHVXDOLFLVZYSA-CYBMUJFWSA-N 1 2 276.384 0.533 40 0 CCABLO O=C(Cc1cccs1)N1C[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257275186 190024842 /nfs/dbraw/zinc/02/48/42/190024842.db2.gz NOHCFSTZFZXQEG-CHWSQXEVSA-N 1 2 296.392 0.195 40 0 CCABLO CN(C[C@@]1(O)CCN(c2cccc[nH+]2)C1)C(=O)C1CC1 ZINC000257288983 190027777 /nfs/dbraw/zinc/02/77/77/190027777.db2.gz PWMTUJPETWRMNU-HNNXBMFYSA-N 1 2 275.352 0.891 40 0 CCABLO CC(=O)N[C@H]1CC[N@H+](Cc2csc(C)n2)CC[C@@H]1O ZINC000257318228 190032436 /nfs/dbraw/zinc/03/24/36/190032436.db2.gz VNAHTONRMUHOPL-STQMWFEESA-N 1 2 283.397 0.913 40 0 CCABLO CC(=O)N[C@H]1CC[N@@H+](Cc2csc(C)n2)CC[C@@H]1O ZINC000257318228 190032437 /nfs/dbraw/zinc/03/24/37/190032437.db2.gz VNAHTONRMUHOPL-STQMWFEESA-N 1 2 283.397 0.913 40 0 CCABLO Nc1nc2c(c(N)n1)C[C@@]1(CC[N@H+](Cc3ccncc3)C1)O2 ZINC000257322933 190034467 /nfs/dbraw/zinc/03/44/67/190034467.db2.gz WIBVFLWYMANCDN-OAHLLOKOSA-N 1 2 298.350 0.616 40 0 CCABLO Nc1nc2c(c(N)n1)C[C@@]1(CC[N@@H+](Cc3ccncc3)C1)O2 ZINC000257322933 190034468 /nfs/dbraw/zinc/03/44/68/190034468.db2.gz WIBVFLWYMANCDN-OAHLLOKOSA-N 1 2 298.350 0.616 40 0 CCABLO COc1ccccc1C(=S)N1CC[NH+](CCO)CC1 ZINC000013547783 388787088 /nfs/dbraw/zinc/78/70/88/388787088.db2.gz DNJKGFWUIKWVTM-UHFFFAOYSA-N 1 2 280.393 0.981 40 0 CCABLO CCOC(=O)[C@H]1C(=O)[C@@H](C(=O)OCC)[C@@H](C)[N@@H+](C)[C@@H]1C ZINC000071255576 388957790 /nfs/dbraw/zinc/95/77/90/388957790.db2.gz LAYGCYSGPGGRFL-DBIOUOCHSA-N 1 2 285.340 0.637 40 0 CCABLO CCOC(=O)[C@H]1C(=O)[C@@H](C(=O)OCC)[C@@H](C)[N@H+](C)[C@@H]1C ZINC000071255576 388957793 /nfs/dbraw/zinc/95/77/93/388957793.db2.gz LAYGCYSGPGGRFL-DBIOUOCHSA-N 1 2 285.340 0.637 40 0 CCABLO Cc1cnc(C[N@@H+]2CC[C@@H]3OCC(=O)N(C)[C@H]3C2)cn1 ZINC000257244480 389269536 /nfs/dbraw/zinc/26/95/36/389269536.db2.gz ILNPDDNNQPCJBE-STQMWFEESA-N 1 2 276.340 0.217 40 0 CCABLO Cc1cnc(C[N@H+]2CC[C@@H]3OCC(=O)N(C)[C@H]3C2)cn1 ZINC000257244480 389269541 /nfs/dbraw/zinc/26/95/41/389269541.db2.gz ILNPDDNNQPCJBE-STQMWFEESA-N 1 2 276.340 0.217 40 0 CCABLO NNc1nc2ccccc2c(=O)n1CC[NH+]1CCOCC1 ZINC000408712830 389375778 /nfs/dbraw/zinc/37/57/78/389375778.db2.gz VLXYSDKMQYAPDN-UHFFFAOYSA-N 1 2 289.339 0.014 40 0 CCABLO c1nc(C[N@H+]2CCOC[C@H](Cc3cnccn3)C2)c[nH]1 ZINC000072388203 176393396 /nfs/dbraw/zinc/39/33/96/176393396.db2.gz FWLYDIYEADAAIW-GFCCVEGCSA-N 1 2 273.340 0.891 40 0 CCABLO c1nc(C[N@@H+]2CCOC[C@H](Cc3cnccn3)C2)c[nH]1 ZINC000072388203 176393397 /nfs/dbraw/zinc/39/33/97/176393397.db2.gz FWLYDIYEADAAIW-GFCCVEGCSA-N 1 2 273.340 0.891 40 0 CCABLO c1ncc(C[N@H+]2CCOC[C@H](Cc3cnccn3)C2)[nH]1 ZINC000072388203 176393399 /nfs/dbraw/zinc/39/33/99/176393399.db2.gz FWLYDIYEADAAIW-GFCCVEGCSA-N 1 2 273.340 0.891 40 0 CCABLO c1ncc(C[N@@H+]2CCOC[C@H](Cc3cnccn3)C2)[nH]1 ZINC000072388203 176393400 /nfs/dbraw/zinc/39/34/00/176393400.db2.gz FWLYDIYEADAAIW-GFCCVEGCSA-N 1 2 273.340 0.891 40 0 CCABLO CCOC(=O)c1cnc(NCC[NH+]2CCOCC2)nc1C ZINC000014607449 528303154 /nfs/dbraw/zinc/30/31/54/528303154.db2.gz JWHJVVBSKOHBQI-UHFFFAOYSA-N 1 2 294.355 0.706 40 0 CCABLO Cn1cc(C[N@@H+]2CCC[C@]3(C(=O)[O-])C[NH+](C)C[C@@H]3C2)cn1 ZINC000096064204 185084023 /nfs/dbraw/zinc/08/40/23/185084023.db2.gz ACXBESSMOGXCRG-HIFRSBDPSA-N 1 2 292.383 0.649 40 0 CCABLO Cn1cc(C[N@H+]2CCC[C@]3(C(=O)[O-])C[NH+](C)C[C@@H]3C2)cn1 ZINC000096064204 185084025 /nfs/dbraw/zinc/08/40/25/185084025.db2.gz ACXBESSMOGXCRG-HIFRSBDPSA-N 1 2 292.383 0.649 40 0 CCABLO Cn1cc(C[NH+]2CCC[C@]3(C(=O)[O-])C[N@H+](C)C[C@@H]3C2)cn1 ZINC000096064204 185084027 /nfs/dbraw/zinc/08/40/27/185084027.db2.gz ACXBESSMOGXCRG-HIFRSBDPSA-N 1 2 292.383 0.649 40 0 CCABLO Cn1cc(C[NH+]2CCC[C@]3(C(=O)[O-])C[N@@H+](C)C[C@@H]3C2)cn1 ZINC000096064204 185084028 /nfs/dbraw/zinc/08/40/28/185084028.db2.gz ACXBESSMOGXCRG-HIFRSBDPSA-N 1 2 292.383 0.649 40 0 CCABLO CNC(=O)CC[C@@]1(O)CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000585275268 359256535 /nfs/dbraw/zinc/25/65/35/359256535.db2.gz BNKGGFUYCPKKGF-ZDUSSCGKSA-N 1 2 266.345 0.263 40 0 CCABLO CNC(=O)CC[C@@]1(O)CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000585275268 359256537 /nfs/dbraw/zinc/25/65/37/359256537.db2.gz BNKGGFUYCPKKGF-ZDUSSCGKSA-N 1 2 266.345 0.263 40 0 CCABLO CNC(=O)C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1OC ZINC000585289424 359261893 /nfs/dbraw/zinc/26/18/93/359261893.db2.gz QTHVKUDVNQNWCQ-BMPPAVAUSA-N 1 2 292.339 0.032 40 0 CCABLO CCS(=O)(=O)N(C)C[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257205784 190011458 /nfs/dbraw/zinc/01/14/58/190011458.db2.gz BANRASLDEXPYOM-ZDUSSCGKSA-N 1 2 299.396 0.304 40 0 CCABLO Cc1cc(=O)[nH]c([C@H]2CN(Cc3c[nH+]c[nH]3)CCO2)n1 ZINC000257269952 190024087 /nfs/dbraw/zinc/02/40/87/190024087.db2.gz MSCYRGYUQDYPLR-LLVKDONJSA-N 1 2 275.312 0.787 40 0 CCABLO Cc1cc(=O)[nH]c([C@H]2CN(Cc3c[nH]c[nH+]3)CCO2)n1 ZINC000257269952 190024088 /nfs/dbraw/zinc/02/40/88/190024088.db2.gz MSCYRGYUQDYPLR-LLVKDONJSA-N 1 2 275.312 0.787 40 0 CCABLO Cc1nc2ncnc(NCC[NH+]3CCOCC3)c2[nH]1 ZINC000041121344 388861773 /nfs/dbraw/zinc/86/17/73/388861773.db2.gz UTFOZWPBZMVXFS-UHFFFAOYSA-N 1 2 262.317 0.405 40 0 CCABLO NC(=O)CN1c2ccccc2C2=[NH+]CCCN2C1=O ZINC000072373685 388961657 /nfs/dbraw/zinc/96/16/57/388961657.db2.gz AFPVGFHOBCEGKS-UHFFFAOYSA-N 1 2 258.281 0.564 40 0 CCABLO C[C@@H]1N(C)C(=O)COC12CC[NH+](Cc1nccn1C)CC2 ZINC000096201501 389051693 /nfs/dbraw/zinc/05/16/93/389051693.db2.gz FMWXIEKDKXLVCX-LBPRGKRZSA-N 1 2 292.383 0.632 40 0 CCABLO [NH3+][C@H](c1nnc(CCN2CCOCC2)[nH]1)c1ccccc1 ZINC000095533430 389042639 /nfs/dbraw/zinc/04/26/39/389042639.db2.gz OTVBOGBWOCWNEQ-AWEZNQCLSA-N 1 2 287.367 0.728 40 0 CCABLO C[NH2+]c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000226280381 134422856 /nfs/dbraw/zinc/42/28/56/134422856.db2.gz QVJDJAGYNGBLJU-UHFFFAOYSA-N 1 2 269.370 0.810 40 0 CCABLO C[NH+]1CCN(C(=S)C(=O)Nc2nccs2)CC1 ZINC000020220123 171082036 /nfs/dbraw/zinc/08/20/36/171082036.db2.gz NJLYKGXGPUDNNR-UHFFFAOYSA-N 1 2 270.383 0.656 40 0 CCABLO CS(=O)(=O)N1CCC[C@H](c2cccc(NCCO)[nH+]2)C1 ZINC000072386588 176391978 /nfs/dbraw/zinc/39/19/78/176391978.db2.gz XVABKOPNXBFJAI-NSHDSACASA-N 1 2 299.396 0.625 40 0 CCABLO CNC(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3cc(C)on3)C[C@H]2O1 ZINC000096042749 185070685 /nfs/dbraw/zinc/07/06/85/185070685.db2.gz VHTOKPZJYWOMRP-CYZMBNFOSA-N 1 2 279.340 0.708 40 0 CCABLO CNC(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3cc(C)on3)C[C@H]2O1 ZINC000096042749 185070687 /nfs/dbraw/zinc/07/06/87/185070687.db2.gz VHTOKPZJYWOMRP-CYZMBNFOSA-N 1 2 279.340 0.708 40 0 CCABLO COC(=O)[C@H](O)[C@H]1c2ccccc2[N+](=O)C1C(=O)OC ZINC000001590405 347957758 /nfs/dbraw/zinc/95/77/58/347957758.db2.gz CAIXDWSEGYEVLC-GXSJLCMTSA-N 1 2 279.248 0.074 40 0 CCABLO Cc1cc2nc(C[NH+](CCO)CCO)[nH]c2cc1C ZINC000001684164 347960859 /nfs/dbraw/zinc/96/08/59/347960859.db2.gz LQQYMOGCJZRLKS-UHFFFAOYSA-N 1 2 263.341 0.966 40 0 CCABLO CN(C)c1nc(=NN)[nH+]c(NCc2ccccc2)[nH]1 ZINC000003157871 347979479 /nfs/dbraw/zinc/97/94/79/347979479.db2.gz SQFNQUKMXBASSM-UHFFFAOYSA-N 1 2 259.317 0.835 40 0 CCABLO CN(C)c1nc(NN)[nH+]c(NCc2ccccc2)n1 ZINC000003157871 347979482 /nfs/dbraw/zinc/97/94/82/347979482.db2.gz SQFNQUKMXBASSM-UHFFFAOYSA-N 1 2 259.317 0.835 40 0 CCABLO CN(C)c1nc(NCc2ccccc2)nc(NN)[nH+]1 ZINC000003157871 347979485 /nfs/dbraw/zinc/97/94/85/347979485.db2.gz SQFNQUKMXBASSM-UHFFFAOYSA-N 1 2 259.317 0.835 40 0 CCABLO CCCc1ncc(C[N@@H+]2CCO[C@@](C)(C(=O)NC)C2)cn1 ZINC000019746928 348069079 /nfs/dbraw/zinc/06/90/79/348069079.db2.gz HAVABHALCRHNKE-OAHLLOKOSA-N 1 2 292.383 0.766 40 0 CCABLO CCCc1ncc(C[N@H+]2CCO[C@@](C)(C(=O)NC)C2)cn1 ZINC000019746928 348069082 /nfs/dbraw/zinc/06/90/82/348069082.db2.gz HAVABHALCRHNKE-OAHLLOKOSA-N 1 2 292.383 0.766 40 0 CCABLO Cc1cc(C)nc(SCC(=O)N2CC[NH+](C)CC2)n1 ZINC000033693857 348147137 /nfs/dbraw/zinc/14/71/37/348147137.db2.gz KWRXOSIUGAQBAH-UHFFFAOYSA-N 1 2 280.397 0.960 40 0 CCABLO COC[C@H]1CN(C(=O)c2cnccn2)Cc2c[nH+]cn21 ZINC000247887425 352427320 /nfs/dbraw/zinc/42/73/20/352427320.db2.gz RYNVUUWNXOEREB-LLVKDONJSA-N 1 2 273.296 0.517 40 0 CCABLO C[C@@H](c1ccccn1)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000282104033 353393753 /nfs/dbraw/zinc/39/37/53/353393753.db2.gz PKHXXSVEZWCKGJ-QWHCGFSZSA-N 1 2 292.383 0.261 40 0 CCABLO C[C@@H](c1ccccn1)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000282104033 353393755 /nfs/dbraw/zinc/39/37/55/353393755.db2.gz PKHXXSVEZWCKGJ-QWHCGFSZSA-N 1 2 292.383 0.261 40 0 CCABLO C[C@@H](c1ccccn1)[N@@H+]1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000282104033 353393756 /nfs/dbraw/zinc/39/37/56/353393756.db2.gz PKHXXSVEZWCKGJ-QWHCGFSZSA-N 1 2 292.383 0.261 40 0 CCABLO C[C@@H](c1ccccn1)[N@H+]1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000282104033 353393758 /nfs/dbraw/zinc/39/37/58/353393758.db2.gz PKHXXSVEZWCKGJ-QWHCGFSZSA-N 1 2 292.383 0.261 40 0 CCABLO NS(=O)(=O)C1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000330503130 354383131 /nfs/dbraw/zinc/38/31/31/354383131.db2.gz CDEWZZWIRKVQMD-UHFFFAOYSA-N 1 2 289.788 0.988 40 0 CCABLO C[C@@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)C(=O)N(C)C ZINC000332342916 354650112 /nfs/dbraw/zinc/65/01/12/354650112.db2.gz FOLQRZWYCBHEJN-GHMZBOCLSA-N 1 2 293.371 0.396 40 0 CCABLO Cn1c[nH+]c2c1C[C@H](CO)N(C(=O)c1cccnc1)C2 ZINC000585094791 359246045 /nfs/dbraw/zinc/24/60/45/359246045.db2.gz MYZRTGHBYCLHGC-LLVKDONJSA-N 1 2 272.308 0.375 40 0 CCABLO CC(C)[N@H+]1Cc2ccnn2[C@@H](CNS(C)(=O)=O)C1 ZINC000585111930 359250740 /nfs/dbraw/zinc/25/07/40/359250740.db2.gz JIZRJXFCHYVNIS-NSHDSACASA-N 1 2 272.374 0.197 40 0 CCABLO CC(C)[N@@H+]1Cc2ccnn2[C@@H](CNS(C)(=O)=O)C1 ZINC000585111930 359250744 /nfs/dbraw/zinc/25/07/44/359250744.db2.gz JIZRJXFCHYVNIS-NSHDSACASA-N 1 2 272.374 0.197 40 0 CCABLO Cc1[nH+]c2ccccn2c1CC(=O)N[C@H]1CCCNC1=O ZINC000257206746 190011560 /nfs/dbraw/zinc/01/15/60/190011560.db2.gz BETKPQIUNSONJC-NSHDSACASA-N 1 2 286.335 0.580 40 0 CCABLO O[C@@H]1CCCOC12CC[NH+](Cc1cnc[nH]1)CC2 ZINC000257235378 190017369 /nfs/dbraw/zinc/01/73/69/190017369.db2.gz GXOXKUMDCDGZSW-GFCCVEGCSA-N 1 2 251.330 0.916 40 0 CCABLO CNC(=O)[C@H]1C[N@H+](Cc2ccc(F)cc2)CCN1C(C)=O ZINC000257277082 190025830 /nfs/dbraw/zinc/02/58/30/190025830.db2.gz NWIVMZIINQYWRC-CQSZACIVSA-N 1 2 293.342 0.604 40 0 CCABLO CNC(=O)[C@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1C(C)=O ZINC000257277082 190025831 /nfs/dbraw/zinc/02/58/31/190025831.db2.gz NWIVMZIINQYWRC-CQSZACIVSA-N 1 2 293.342 0.604 40 0 CCABLO Cc1nc(N2CCC[C@@H](CCNS(C)(=O)=O)C2)cc[nH+]1 ZINC000072369086 388961842 /nfs/dbraw/zinc/96/18/42/388961842.db2.gz BDQOVNRQTXKNFR-LBPRGKRZSA-N 1 2 298.412 0.941 40 0 CCABLO Cn1cc(C[N@@H+]2CCn3c(Cn4cccn4)cnc3C2)cn1 ZINC000096201090 389051166 /nfs/dbraw/zinc/05/11/66/389051166.db2.gz OTZJGEYLBQYACA-UHFFFAOYSA-N 1 2 297.366 0.877 40 0 CCABLO Cn1cc(C[N@H+]2CCn3c(Cn4cccn4)cnc3C2)cn1 ZINC000096201090 389051173 /nfs/dbraw/zinc/05/11/73/389051173.db2.gz OTZJGEYLBQYACA-UHFFFAOYSA-N 1 2 297.366 0.877 40 0 CCABLO CCS(=O)(=O)N1CCC2(CN(c3cccc[nH+]3)C2)C1 ZINC000096202675 389051532 /nfs/dbraw/zinc/05/15/32/389051532.db2.gz JQGCFCIZGSHMRB-UHFFFAOYSA-N 1 2 281.381 0.943 40 0 CCABLO CC(=O)N1CC[N@@H+](CC(=O)N(C)C)C[C@H]1c1ccccc1 ZINC000257326878 389269750 /nfs/dbraw/zinc/26/97/50/389269750.db2.gz WYYVDWFKSBBBSU-HNNXBMFYSA-N 1 2 289.379 0.980 40 0 CCABLO CC(=O)N1CC[N@H+](CC(=O)N(C)C)C[C@H]1c1ccccc1 ZINC000257326878 389269753 /nfs/dbraw/zinc/26/97/53/389269753.db2.gz WYYVDWFKSBBBSU-HNNXBMFYSA-N 1 2 289.379 0.980 40 0 CCABLO Cc1cc(C[N@@H+]2CC[C@H]3OCC(=O)N[C@H]3C2)no1 ZINC000257328434 389269768 /nfs/dbraw/zinc/26/97/68/389269768.db2.gz XFPSVGLNUUDYLN-WDEREUQCSA-N 1 2 251.286 0.072 40 0 CCABLO Cc1cc(C[N@H+]2CC[C@H]3OCC(=O)N[C@H]3C2)no1 ZINC000257328434 389269770 /nfs/dbraw/zinc/26/97/70/389269770.db2.gz XFPSVGLNUUDYLN-WDEREUQCSA-N 1 2 251.286 0.072 40 0 CCABLO CCOC(=O)[C@@H]1C(=O)[C@@H](C(=O)OCC)[C@@H](C)[NH+](C)[C@@H]1C ZINC000071255577 285856563 /nfs/dbraw/zinc/85/65/63/285856563.db2.gz LAYGCYSGPGGRFL-ZNSHCXBVSA-N 1 2 285.340 0.637 40 0 CCABLO C[C@@H](Oc1cccc(N)c1)C(=O)N1CC[NH+](C)CC1 ZINC000041356680 174534535 /nfs/dbraw/zinc/53/45/35/174534535.db2.gz IJRBLQSIPYHWSX-LLVKDONJSA-N 1 2 263.341 0.810 40 0 CCABLO Cc1nc(N2CCC[C@H]2CCNS(C)(=O)=O)cc[nH+]1 ZINC000072369094 176383750 /nfs/dbraw/zinc/38/37/50/176383750.db2.gz MOWPDVPLQFYONY-NSHDSACASA-N 1 2 284.385 0.693 40 0 CCABLO COc1ccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)cn1 ZINC000077266454 177247011 /nfs/dbraw/zinc/24/70/11/177247011.db2.gz HUBBRTDHELVSEU-NSHDSACASA-N 1 2 262.313 0.300 40 0 biogenic,in-vitro CCABLO COc1ccc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)cn1 ZINC000077266454 177247012 /nfs/dbraw/zinc/24/70/12/177247012.db2.gz HUBBRTDHELVSEU-NSHDSACASA-N 1 2 262.313 0.300 40 0 biogenic,in-vitro CCABLO CC(=O)N1C[C@@H]2CN(C3COC3)CC[N@@H+]2C(C)(C)C1 ZINC000253401483 278071556 /nfs/dbraw/zinc/07/15/56/278071556.db2.gz NAJUDENWGAVZQN-LBPRGKRZSA-N 1 2 267.373 0.012 40 0 biogenic,in-vitro CCABLO CC(=O)N1C[C@@H]2CN(C3COC3)CC[N@H+]2C(C)(C)C1 ZINC000253401483 278071557 /nfs/dbraw/zinc/07/15/57/278071557.db2.gz NAJUDENWGAVZQN-LBPRGKRZSA-N 1 2 267.373 0.012 40 0 biogenic,in-vitro CCABLO CC(C)n1nc(N)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000685936563 567104021 /nfs/dbraw/zinc/10/40/21/567104021.db2.gz GVRKGOPJYVGCCS-UHFFFAOYSA-N 1 2 281.360 0.108 40 0 CCABLO COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])[N-]C(=O)OC(C)(C)C ZINC000228981111 581720237 /nfs/dbraw/zinc/72/02/37/581720237.db2.gz KNKDKUUWEISYNG-QMMMGPOBSA-N 1 2 288.348 0.316 40 0 CCABLO CC(=O)N1CCOC[C@@]2(C[N@H+](Cc3ccco3)CCO2)C1 ZINC000096049898 185074134 /nfs/dbraw/zinc/07/41/34/185074134.db2.gz RLCGHANLUCWPEI-OAHLLOKOSA-N 1 2 294.351 0.729 40 0 CCABLO CC(=O)N1CCOC[C@@]2(C[N@@H+](Cc3ccco3)CCO2)C1 ZINC000096049898 185074135 /nfs/dbraw/zinc/07/41/35/185074135.db2.gz RLCGHANLUCWPEI-OAHLLOKOSA-N 1 2 294.351 0.729 40 0 CCABLO OCCN1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000019364827 348060098 /nfs/dbraw/zinc/06/00/98/348060098.db2.gz HIISXUTWLOGXFH-AWEZNQCLSA-N 1 2 298.358 0.175 40 0 CCABLO COCc1cc(CC2(NCc3[nH]cc[nH+]3)COC2)no1 ZINC000067897998 348789417 /nfs/dbraw/zinc/78/94/17/348789417.db2.gz JJZOIKULDFCZDV-UHFFFAOYSA-N 1 2 278.312 0.645 40 0 biogenic,in-vitro CCABLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C3CC=CC3)C[C@@H]21 ZINC000108534201 283025561 /nfs/dbraw/zinc/02/55/61/283025561.db2.gz GYWFSGWLSZMRIJ-STQMWFEESA-N 1 2 250.342 0.884 40 0 CCABLO C[N@H+]1CCO[C@H]2CCN(C(=O)C3CC=CC3)C[C@@H]21 ZINC000108534201 283025563 /nfs/dbraw/zinc/02/55/63/283025563.db2.gz GYWFSGWLSZMRIJ-STQMWFEESA-N 1 2 250.342 0.884 40 0 CCABLO COC(=O)C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000169668257 291085794 /nfs/dbraw/zinc/08/57/94/291085794.db2.gz ZKPHYUDUHAIMCK-WDEREUQCSA-N 1 2 262.309 0.440 40 0 CCABLO COC(=O)C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000169668257 291085797 /nfs/dbraw/zinc/08/57/97/291085797.db2.gz ZKPHYUDUHAIMCK-WDEREUQCSA-N 1 2 262.309 0.440 40 0 CCABLO CCNc1cc(-c2cccnc2)[nH+]c(N[C@H](C)CO)n1 ZINC000328972216 202136288 /nfs/dbraw/zinc/13/62/88/202136288.db2.gz DVOYOYGVYNYPAY-SNVBAGLBSA-N 1 2 273.340 0.607 40 0 CCABLO COCCc1c[nH+]c2n1CCN(CC(=O)N(C)C)[C@H]2C ZINC000585096932 359247875 /nfs/dbraw/zinc/24/78/75/359247875.db2.gz CSRFNELAUDHZNZ-NSHDSACASA-N 1 2 280.372 0.537 40 0 CCABLO CNC(=O)C[C@@]1(COC)CN(c2cc(C)[nH+]cn2)CCO1 ZINC000585277762 359259618 /nfs/dbraw/zinc/25/96/18/359259618.db2.gz XSTNXHGYBGIXEZ-AWEZNQCLSA-N 1 2 294.355 0.143 40 0 CCABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)Cn2cccn2)[nH+]1 ZINC000585181451 359255200 /nfs/dbraw/zinc/25/52/00/359255200.db2.gz HFAIGOOOSXBVKZ-NSHDSACASA-N 1 2 275.312 0.515 40 0 CCABLO CO[C@@H]1COC[C@@H]([N@H+](C)Cc2cc(C)on2)[C@@H]1OC ZINC000585291179 359262264 /nfs/dbraw/zinc/26/22/64/359262264.db2.gz MTYMDIVLHFPWPB-UPJWGTAASA-N 1 2 270.329 0.844 40 0 CCABLO CO[C@@H]1COC[C@@H]([N@@H+](C)Cc2cc(C)on2)[C@@H]1OC ZINC000585291179 359262267 /nfs/dbraw/zinc/26/22/67/359262267.db2.gz MTYMDIVLHFPWPB-UPJWGTAASA-N 1 2 270.329 0.844 40 0 CCABLO Cc1c[nH]c([C@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)[nH+]1 ZINC000257298911 190028924 /nfs/dbraw/zinc/02/89/24/190028924.db2.gz RNUSJEYNEAJRTB-LBPRGKRZSA-N 1 2 278.356 0.366 40 0 CCABLO Cc1c[nH]c([C@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)[nH+]1 ZINC000257298911 190028925 /nfs/dbraw/zinc/02/89/25/190028925.db2.gz RNUSJEYNEAJRTB-LBPRGKRZSA-N 1 2 278.356 0.366 40 0 CCABLO CN(C)C(=O)[C@@]1(C)C[N@H+](Cc2cnccn2)CCO1 ZINC000257327015 190034612 /nfs/dbraw/zinc/03/46/12/190034612.db2.gz WZNIQNDBELCPPH-CYBMUJFWSA-N 1 2 264.329 0.156 40 0 CCABLO CN(C)C(=O)[C@@]1(C)C[N@@H+](Cc2cnccn2)CCO1 ZINC000257327015 190034613 /nfs/dbraw/zinc/03/46/13/190034613.db2.gz WZNIQNDBELCPPH-CYBMUJFWSA-N 1 2 264.329 0.156 40 0 CCABLO COCC(=O)N1Cc2c([nH+]cn2C(C)C)C[C@H]1C(=O)OC ZINC000012530301 284782707 /nfs/dbraw/zinc/78/27/07/284782707.db2.gz FZBJACSVDTZODH-NSHDSACASA-N 1 2 295.339 0.537 40 0 biogenic,in-vitro CCABLO CCOC(=O)C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000002150922 388755898 /nfs/dbraw/zinc/75/58/98/388755898.db2.gz LNGPXKWQLHVKQN-NWDGAFQWSA-N 1 2 276.336 0.831 40 0 CCABLO CCOC(=O)C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000002150922 388755900 /nfs/dbraw/zinc/75/59/00/388755900.db2.gz LNGPXKWQLHVKQN-NWDGAFQWSA-N 1 2 276.336 0.831 40 0 CCABLO COC(=O)c1ccc(NCC[NH+]2CCOCC2)c(N)c1 ZINC000041081879 388860624 /nfs/dbraw/zinc/86/06/24/388860624.db2.gz YIUQRELBAAGQPT-UHFFFAOYSA-N 1 2 279.340 0.800 40 0 CCABLO CCOC(=O)[C@@H]([NH3+])C1(N2CCOCC2)CCCC1 ZINC000072210556 388960094 /nfs/dbraw/zinc/96/00/94/388960094.db2.gz ZNERDDAPNSAZHX-LLVKDONJSA-N 1 2 256.346 0.522 40 0 CCABLO Cn1cc(C[N@@H+]2CCn3c(Cn4cncn4)cnc3C2)cn1 ZINC000096201132 389051506 /nfs/dbraw/zinc/05/15/06/389051506.db2.gz DEPPGEIYAPVKGQ-UHFFFAOYSA-N 1 2 298.354 0.272 40 0 CCABLO Cn1cc(C[N@H+]2CCn3c(Cn4cncn4)cnc3C2)cn1 ZINC000096201132 389051508 /nfs/dbraw/zinc/05/15/08/389051508.db2.gz DEPPGEIYAPVKGQ-UHFFFAOYSA-N 1 2 298.354 0.272 40 0 CCABLO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](C1COC1)C2 ZINC000225495108 389145921 /nfs/dbraw/zinc/14/59/21/389145921.db2.gz TVWOABMZNUNHFA-ZDUSSCGKSA-N 1 2 277.368 0.792 40 0 biogenic,in-vitro CCABLO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@H+](C1COC1)C2 ZINC000225495108 389145922 /nfs/dbraw/zinc/14/59/22/389145922.db2.gz TVWOABMZNUNHFA-ZDUSSCGKSA-N 1 2 277.368 0.792 40 0 biogenic,in-vitro CCABLO COc1cc2[nH+]cn([C@@H]3C[C@H](O)[C@H](CO)O3)c2cc1OC ZINC000001592667 169720785 /nfs/dbraw/zinc/72/07/85/169720785.db2.gz NMELIIRNNKJYFR-BPNCWPANSA-N 1 2 294.307 0.694 40 0 CCABLO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(C)CC1 ZINC000022585744 171392679 /nfs/dbraw/zinc/39/26/79/171392679.db2.gz QBGBYKIJDHVCFQ-ZDUSSCGKSA-N 1 2 253.390 0.881 40 0 CCABLO NC(=O)C[N@@H+]1CCC[C@@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072383081 176387952 /nfs/dbraw/zinc/38/79/52/176387952.db2.gz YYWMISYFFVMIOR-LLVKDONJSA-N 1 2 299.338 0.632 40 0 CCABLO NC(=O)C[N@H+]1CCC[C@@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072383081 176387953 /nfs/dbraw/zinc/38/79/53/176387953.db2.gz YYWMISYFFVMIOR-LLVKDONJSA-N 1 2 299.338 0.632 40 0 CCABLO NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1 ZINC000017000363 544418599 /nfs/dbraw/zinc/41/85/99/544418599.db2.gz YLVGCKUYWFCKIV-GFCCVEGCSA-N 1 2 288.307 0.733 40 0 CCABLO NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1 ZINC000017000363 544418602 /nfs/dbraw/zinc/41/86/02/544418602.db2.gz YLVGCKUYWFCKIV-GFCCVEGCSA-N 1 2 288.307 0.733 40 0 CCABLO Cc1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3C)nc1 ZINC000096230412 302348101 /nfs/dbraw/zinc/34/81/01/302348101.db2.gz DMQPYSBFMQSUNQ-UHFFFAOYSA-N 1 2 275.356 0.186 40 0 CCABLO Cc1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3C)nc1 ZINC000096230412 302348103 /nfs/dbraw/zinc/34/81/03/302348103.db2.gz DMQPYSBFMQSUNQ-UHFFFAOYSA-N 1 2 275.356 0.186 40 0 CCABLO [NH3+][C@@H](c1nnc(Cn2cncn2)[nH]1)c1ccccc1 ZINC000095533419 185007646 /nfs/dbraw/zinc/00/76/46/185007646.db2.gz LRJZRLYTSPYAEX-LLVKDONJSA-N 1 2 255.285 0.493 40 0 CCABLO CC(=O)N1CCOC[C@]2(C[N@H+](Cc3ccco3)CCO2)C1 ZINC000096049897 185074602 /nfs/dbraw/zinc/07/46/02/185074602.db2.gz RLCGHANLUCWPEI-HNNXBMFYSA-N 1 2 294.351 0.729 40 0 CCABLO CC(=O)N1CCOC[C@]2(C[N@@H+](Cc3ccco3)CCO2)C1 ZINC000096049897 185074604 /nfs/dbraw/zinc/07/46/04/185074604.db2.gz RLCGHANLUCWPEI-HNNXBMFYSA-N 1 2 294.351 0.729 40 0 CCABLO COCC(=O)N1CCn2c(Cn3cccn3)c[nH+]c2[C@H]1C ZINC000096062074 185082210 /nfs/dbraw/zinc/08/22/10/185082210.db2.gz FYZADISRNVKXGF-LLVKDONJSA-N 1 2 289.339 0.678 40 0 CCABLO COC(=O)[C@@H](O)[C@H]1c2ccccc2[N+](=O)C1C(=O)OC ZINC000001590403 347957642 /nfs/dbraw/zinc/95/76/42/347957642.db2.gz CAIXDWSEGYEVLC-ONGXEEELSA-N 1 2 279.248 0.074 40 0 CCABLO CN(C)C(=O)[C@]1(C)C[N@H+](Cc2cnn(C)c2)CCO1 ZINC000019746865 348069171 /nfs/dbraw/zinc/06/91/71/348069171.db2.gz IZWZIEJMAAETDM-ZDUSSCGKSA-N 1 2 266.345 0.099 40 0 CCABLO CN(C)C(=O)[C@]1(C)C[N@@H+](Cc2cnn(C)c2)CCO1 ZINC000019746865 348069176 /nfs/dbraw/zinc/06/91/76/348069176.db2.gz IZWZIEJMAAETDM-ZDUSSCGKSA-N 1 2 266.345 0.099 40 0 CCABLO CCOC(=O)[C@H]1C(=O)[C@@H](C(=O)OCC)[C@H](C)[NH2+][C@H]1C ZINC000166802187 350801512 /nfs/dbraw/zinc/80/15/12/350801512.db2.gz XVOQMOGMRVWPRN-AATLWQCWSA-N 1 2 271.313 0.294 40 0 CCABLO C[C@H]1[NH2+]CCn2cc(C(=O)NCc3ccccn3)nc21 ZINC000247970900 352428212 /nfs/dbraw/zinc/42/82/12/352428212.db2.gz SFFGIZJNQOQMOH-SNVBAGLBSA-N 1 2 271.324 0.872 40 0 CCABLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)CCC2CC2)C1 ZINC000335170656 354978477 /nfs/dbraw/zinc/97/84/77/354978477.db2.gz PCVHAORTBCCZNL-NSHDSACASA-N 1 2 264.366 0.750 40 0 CCABLO CNC(=O)CC[C@@]1(OC)CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000585275692 359258309 /nfs/dbraw/zinc/25/83/09/359258309.db2.gz IDUFHFVJIQLINL-AWEZNQCLSA-N 1 2 280.372 0.917 40 0 CCABLO CNC(=O)CC[C@@]1(OC)CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000585275692 359258312 /nfs/dbraw/zinc/25/83/12/359258312.db2.gz IDUFHFVJIQLINL-AWEZNQCLSA-N 1 2 280.372 0.917 40 0 CCABLO CCOC[C@H]1Cc2c([nH+]cn2C)CN1S(=O)(=O)CC ZINC000585094884 359246642 /nfs/dbraw/zinc/24/66/42/359246642.db2.gz RYHSVSDGFPUIDE-SNVBAGLBSA-N 1 2 287.385 0.533 40 0 CCABLO Cc1cncc(C[N@@H+]2Cc3ccnn3CC[C@H]2CO)n1 ZINC000585097632 359247659 /nfs/dbraw/zinc/24/76/59/359247659.db2.gz OJRKJIHFKFPKOU-AWEZNQCLSA-N 1 2 273.340 0.748 40 0 CCABLO Cc1cncc(C[N@H+]2Cc3ccnn3CC[C@H]2CO)n1 ZINC000585097632 359247664 /nfs/dbraw/zinc/24/76/64/359247664.db2.gz OJRKJIHFKFPKOU-AWEZNQCLSA-N 1 2 273.340 0.748 40 0 CCABLO CS(=O)(=O)NC[C@H]1C[N@H+](CC2CC2)Cc2ccnn21 ZINC000585112510 359249800 /nfs/dbraw/zinc/24/98/00/359249800.db2.gz QKLBQPCZFICUJE-LBPRGKRZSA-N 1 2 284.385 0.199 40 0 CCABLO CS(=O)(=O)NC[C@H]1C[N@@H+](CC2CC2)Cc2ccnn21 ZINC000585112510 359249804 /nfs/dbraw/zinc/24/98/04/359249804.db2.gz QKLBQPCZFICUJE-LBPRGKRZSA-N 1 2 284.385 0.199 40 0 CCABLO CC(=O)N1CC[N@H+](Cc2cccc(F)c2)C[C@@H]1C(N)=O ZINC000257208394 190012626 /nfs/dbraw/zinc/01/26/26/190012626.db2.gz BLZXOEVINVUVPJ-CYBMUJFWSA-N 1 2 279.315 0.344 40 0 CCABLO CC(=O)N1CC[N@@H+](Cc2cccc(F)c2)C[C@@H]1C(N)=O ZINC000257208394 190012627 /nfs/dbraw/zinc/01/26/27/190012627.db2.gz BLZXOEVINVUVPJ-CYBMUJFWSA-N 1 2 279.315 0.344 40 0 CCABLO CC(=O)N1CC[N@H+](Cc2ccccc2F)C[C@@H]1C(N)=O ZINC000257254216 190020507 /nfs/dbraw/zinc/02/05/07/190020507.db2.gz KCFSJOYEHVCFDF-CYBMUJFWSA-N 1 2 279.315 0.344 40 0 CCABLO CC(=O)N1CC[N@@H+](Cc2ccccc2F)C[C@@H]1C(N)=O ZINC000257254216 190020508 /nfs/dbraw/zinc/02/05/08/190020508.db2.gz KCFSJOYEHVCFDF-CYBMUJFWSA-N 1 2 279.315 0.344 40 0 CCABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)[nH+]1 ZINC000257280599 190025693 /nfs/dbraw/zinc/02/56/93/190025693.db2.gz OLNOIGHRQOQXCI-JTQLQIEISA-N 1 2 287.323 0.442 40 0 CCABLO CNC(=O)[C@H]1CN(C(=O)CCc2ccc(F)cc2)CC[NH2+]1 ZINC000257290682 190027710 /nfs/dbraw/zinc/02/77/10/190027710.db2.gz QDXOJXDAZIZBBN-CYBMUJFWSA-N 1 2 293.342 0.305 40 0 CCABLO CNC(=O)[C@@H]1CN(C(=O)C2CCCCC2)CC[NH2+]1 ZINC000257289200 190028056 /nfs/dbraw/zinc/02/80/56/190028056.db2.gz PXMUFOULTDMGBQ-NSHDSACASA-N 1 2 253.346 0.113 40 0 CCABLO CC(=O)N[C@H]1CC[N@H+](Cc2cccnc2)CC[C@@H]1O ZINC000257325152 190034406 /nfs/dbraw/zinc/03/44/06/190034406.db2.gz WRRUJVYDOFYIFR-KBPBESRZSA-N 1 2 263.341 0.543 40 0 CCABLO CC(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)CC[C@@H]1O ZINC000257325152 190034407 /nfs/dbraw/zinc/03/44/07/190034407.db2.gz WRRUJVYDOFYIFR-KBPBESRZSA-N 1 2 263.341 0.543 40 0 CCABLO O=S(=O)(CCC1CC1)N1CCn2c[nH+]cc2C1 ZINC000289431637 197344029 /nfs/dbraw/zinc/34/40/29/197344029.db2.gz CXRKQZIFWJJEHD-UHFFFAOYSA-N 1 2 255.343 0.829 40 0 CCABLO NC(=O)N1CCc2[nH+]cc(CNC(=O)CC3CC3)n2CC1 ZINC000096197056 389050326 /nfs/dbraw/zinc/05/03/26/389050326.db2.gz WHPUBHBKEWVVPS-UHFFFAOYSA-N 1 2 291.355 0.236 40 0 CCABLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccncc3F)C[C@H]21 ZINC000096246441 389056508 /nfs/dbraw/zinc/05/65/08/389056508.db2.gz RIRZWANUMQROMX-NEPJUHHUSA-N 1 2 265.288 0.376 40 0 CCABLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccncc3F)C[C@H]21 ZINC000096246441 389056510 /nfs/dbraw/zinc/05/65/10/389056510.db2.gz RIRZWANUMQROMX-NEPJUHHUSA-N 1 2 265.288 0.376 40 0 CCABLO CCS(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1OC ZINC000257280401 286667229 /nfs/dbraw/zinc/66/72/29/286667229.db2.gz OKRHRTQBNRFRAV-LBPRGKRZSA-N 1 2 284.381 0.991 40 0 CCABLO CNC(=O)c1cccc([C@H]2C[N@H+](C)CCN2C(C)=O)c1 ZINC000072366542 176382032 /nfs/dbraw/zinc/38/20/32/176382032.db2.gz IVOABUJUHBSZPR-CQSZACIVSA-N 1 2 275.352 0.881 40 0 CCABLO CNC(=O)c1cccc([C@H]2C[N@@H+](C)CCN2C(C)=O)c1 ZINC000072366542 176382033 /nfs/dbraw/zinc/38/20/33/176382033.db2.gz IVOABUJUHBSZPR-CQSZACIVSA-N 1 2 275.352 0.881 40 0 CCABLO Cn1cc(C[N@@H+]2CCO[C@H](c3cc(CCO)n[nH]3)C2)cn1 ZINC000072385817 176390396 /nfs/dbraw/zinc/39/03/96/176390396.db2.gz SYQFXHKOWOPXMT-AWEZNQCLSA-N 1 2 291.355 0.252 40 0 CCABLO Cn1cc(C[N@H+]2CCO[C@H](c3cc(CCO)n[nH]3)C2)cn1 ZINC000072385817 176390397 /nfs/dbraw/zinc/39/03/97/176390397.db2.gz SYQFXHKOWOPXMT-AWEZNQCLSA-N 1 2 291.355 0.252 40 0 CCABLO C[N@@H+]1CCOCC12CCN(S(=O)(=O)C1CC1)CC2 ZINC000096048909 290062779 /nfs/dbraw/zinc/06/27/79/290062779.db2.gz MUYPHBBXWYWUNZ-UHFFFAOYSA-N 1 2 274.386 0.275 40 0 CCABLO C[N@H+]1CCOCC12CCN(S(=O)(=O)C1CC1)CC2 ZINC000096048909 290062781 /nfs/dbraw/zinc/06/27/81/290062781.db2.gz MUYPHBBXWYWUNZ-UHFFFAOYSA-N 1 2 274.386 0.275 40 0 CCABLO CCS(=O)(=O)N1CCN(CCOC)c2[nH+]cccc2C1 ZINC000096060942 185083113 /nfs/dbraw/zinc/08/31/13/185083113.db2.gz VENZABQZHOVFSX-UHFFFAOYSA-N 1 2 299.396 0.700 40 0 CCABLO CN(C)C(=O)c1n[nH]c2c1CCN(Cc1[nH+]ccn1C)C2 ZINC000096066638 185083872 /nfs/dbraw/zinc/08/38/72/185083872.db2.gz QTRJVXVRRJFTHJ-UHFFFAOYSA-N 1 2 288.355 0.403 40 0 CCABLO Cc1c[nH+]c2n1CCN(C)C21CCN(S(C)(=O)=O)CC1 ZINC000096144967 185106604 /nfs/dbraw/zinc/10/66/04/185106604.db2.gz BALFEGAQJFROJV-UHFFFAOYSA-N 1 2 298.412 0.388 40 0 CCABLO Cn1cc(C[N@@H+]2CCO[C@@H](C(=O)NC3CCCC3)C2)cn1 ZINC000019747729 348069235 /nfs/dbraw/zinc/06/92/35/348069235.db2.gz OTKBPQXFZJGGAS-CQSZACIVSA-N 1 2 292.383 0.680 40 0 CCABLO Cn1cc(C[N@H+]2CCO[C@@H](C(=O)NC3CCCC3)C2)cn1 ZINC000019747729 348069238 /nfs/dbraw/zinc/06/92/38/348069238.db2.gz OTKBPQXFZJGGAS-CQSZACIVSA-N 1 2 292.383 0.680 40 0 CCABLO CNC(=O)c1cccc([C@H]2CN(C(C)=O)CC[N@@H+]2C)c1 ZINC000072366539 348921062 /nfs/dbraw/zinc/92/10/62/348921062.db2.gz NKTJBNZECNFALA-CQSZACIVSA-N 1 2 275.352 0.881 40 0 CCABLO CNC(=O)c1cccc([C@H]2CN(C(C)=O)CC[N@H+]2C)c1 ZINC000072366539 348921066 /nfs/dbraw/zinc/92/10/66/348921066.db2.gz NKTJBNZECNFALA-CQSZACIVSA-N 1 2 275.352 0.881 40 0 CCABLO COc1ccc(OC[C@H]2C[N@H+](CCO)CCO2)cc1 ZINC000217492445 351948302 /nfs/dbraw/zinc/94/83/02/351948302.db2.gz LKDMPBZQTZEMRI-CQSZACIVSA-N 1 2 267.325 0.767 40 0 CCABLO COc1ccc(OC[C@H]2C[N@@H+](CCO)CCO2)cc1 ZINC000217492445 351948305 /nfs/dbraw/zinc/94/83/05/351948305.db2.gz LKDMPBZQTZEMRI-CQSZACIVSA-N 1 2 267.325 0.767 40 0 CCABLO Cc1cc(C)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225906167 352017797 /nfs/dbraw/zinc/01/77/97/352017797.db2.gz XEAMFBYJXKWMEY-UHFFFAOYSA-N 1 2 295.412 0.712 40 0 CCABLO CS(=O)(=O)NCC[C@H]1C[N@H+](CC2CC2)Cc2cncn21 ZINC000247551638 352420534 /nfs/dbraw/zinc/42/05/34/352420534.db2.gz WBAIKEMEKKQEQG-LBPRGKRZSA-N 1 2 298.412 0.589 40 0 CCABLO CS(=O)(=O)NCC[C@H]1C[N@@H+](CC2CC2)Cc2cncn21 ZINC000247551638 352420538 /nfs/dbraw/zinc/42/05/38/352420538.db2.gz WBAIKEMEKKQEQG-LBPRGKRZSA-N 1 2 298.412 0.589 40 0 CCABLO CS(=O)(=O)NCC[C@H]1CN(CC2CC2)Cc2c[nH+]cn21 ZINC000247551638 352420540 /nfs/dbraw/zinc/42/05/40/352420540.db2.gz WBAIKEMEKKQEQG-LBPRGKRZSA-N 1 2 298.412 0.589 40 0 CCABLO C[N@H+]1Cc2ccnn2[C@@H](CC(=O)N2CCOCC2)C1 ZINC000248022221 352430075 /nfs/dbraw/zinc/43/00/75/352430075.db2.gz JXNCJIDMNOBUSO-LBPRGKRZSA-N 1 2 264.329 0.119 40 0 CCABLO C[N@@H+]1Cc2ccnn2[C@@H](CC(=O)N2CCOCC2)C1 ZINC000248022221 352430081 /nfs/dbraw/zinc/43/00/81/352430081.db2.gz JXNCJIDMNOBUSO-LBPRGKRZSA-N 1 2 264.329 0.119 40 0 CCABLO CN(C)S(=O)(=O)N(C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257269417 352551973 /nfs/dbraw/zinc/55/19/73/352551973.db2.gz MPWIQNFPGWSCFH-GFCCVEGCSA-N 1 2 298.412 0.789 40 0 CCABLO O=C(C=Cc1c[nH]cn1)N[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000585291306 359263755 /nfs/dbraw/zinc/26/37/55/359263755.db2.gz OWSLIOSRJYJWCI-SSCGWBPZSA-N 1 2 287.323 0.500 40 0 CCABLO CS(=O)(=O)N1CC[C@H](Cc2cccc(NCCO)[nH+]2)C1 ZINC000257256941 190021445 /nfs/dbraw/zinc/02/14/45/190021445.db2.gz KNLZEIAYYNFJCT-LLVKDONJSA-N 1 2 299.396 0.310 40 0 CCABLO Cc1c[nH]c([C@H]2CCN(S(=O)(=O)N(C)C)C2)[nH+]1 ZINC000257332167 190035761 /nfs/dbraw/zinc/03/57/61/190035761.db2.gz XWBFZCLOAALYRR-VIFPVBQESA-N 1 2 258.347 0.314 40 0 CCABLO Cc1c[nH]c([C@@H]2COCCN2CC2(O)CCOCC2)[nH+]1 ZINC000257342839 190037800 /nfs/dbraw/zinc/03/78/00/190037800.db2.gz ZQIMDYKYFKGRCT-LBPRGKRZSA-N 1 2 281.356 0.633 40 0 CCABLO Cc1cc(N2CCC[C@@H](c3cc(=O)[nH]c(N)n3)C2)nc[nH+]1 ZINC000072366680 388961495 /nfs/dbraw/zinc/96/14/95/388961495.db2.gz KTTNICSJVRULQF-SNVBAGLBSA-N 1 2 286.339 0.835 40 0 CCABLO C[C@H]1c2[nH+]cc(Cn3cncn3)n2CCN1[C@@H]1CCOC1 ZINC000096201287 389051390 /nfs/dbraw/zinc/05/13/90/389051390.db2.gz LOKCBFVXKHNIPH-NWDGAFQWSA-N 1 2 288.355 0.688 40 0 CCABLO CN1C(=O)c2ccccc2O[C@H]2C[N@H+](C3COC3)C[C@H]21 ZINC000514289719 390466092 /nfs/dbraw/zinc/46/60/92/390466092.db2.gz NTDDETCQPPCETH-OCCSQVGLSA-N 1 2 274.320 0.603 40 0 biogenic,in-vitro CCABLO CN1C(=O)c2ccccc2O[C@H]2C[N@@H+](C3COC3)C[C@H]21 ZINC000514289719 390466093 /nfs/dbraw/zinc/46/60/93/390466093.db2.gz NTDDETCQPPCETH-OCCSQVGLSA-N 1 2 274.320 0.603 40 0 biogenic,in-vitro CCABLO CCOC(=O)c1cn(C)nc1COCC[NH+]1CCOCC1 ZINC000575440951 390840558 /nfs/dbraw/zinc/84/05/58/390840558.db2.gz CZPBPAMPILCGJT-UHFFFAOYSA-N 1 2 297.355 0.446 40 0 CCABLO CC(C)n1nccc1C[N@@H+]1CCO[C@](C)(C(N)=O)C1 ZINC000072379932 176387168 /nfs/dbraw/zinc/38/71/68/176387168.db2.gz HTJVJPDDWDPRQJ-ZDUSSCGKSA-N 1 2 266.345 0.540 40 0 CCABLO CC(C)n1nccc1C[N@H+]1CCO[C@](C)(C(N)=O)C1 ZINC000072379932 176387169 /nfs/dbraw/zinc/38/71/69/176387169.db2.gz HTJVJPDDWDPRQJ-ZDUSSCGKSA-N 1 2 266.345 0.540 40 0 CCABLO Cn1c[nH+]c2c1[C@@H](COCC1CC1)CN(S(C)(=O)=O)C2 ZINC000096060253 185081222 /nfs/dbraw/zinc/08/12/22/185081222.db2.gz OCIBXWYPXVVKGZ-LLVKDONJSA-N 1 2 299.396 0.706 40 0 CCABLO Cc1nc([C@H]2COCC[NH2+]2)cc(N2CCC(O)CC2)n1 ZINC000257269377 136594716 /nfs/dbraw/zinc/59/47/16/136594716.db2.gz MPSGXARUBJQCJL-CYBMUJFWSA-N 1 2 278.356 0.407 40 0 CCABLO C[C@@H](CNC(=O)c1cnn2cccnc12)[NH+]1CCOCC1 ZINC000019719872 348068617 /nfs/dbraw/zinc/06/86/17/348068617.db2.gz ZRZLNOVPCBTEHQ-NSHDSACASA-N 1 2 289.339 0.180 40 0 CCABLO Cc1c(C[N@@H+]2CCO[C@](C)(C(=O)N(C)C)C2)cnn1C ZINC000019746843 348069124 /nfs/dbraw/zinc/06/91/24/348069124.db2.gz XWCCGBWGRULKOL-AWEZNQCLSA-N 1 2 280.372 0.408 40 0 CCABLO Cc1c(C[N@H+]2CCO[C@](C)(C(=O)N(C)C)C2)cnn1C ZINC000019746843 348069129 /nfs/dbraw/zinc/06/91/29/348069129.db2.gz XWCCGBWGRULKOL-AWEZNQCLSA-N 1 2 280.372 0.408 40 0 CCABLO Cn1cc(C[N@@H+]2CCO[C@H](C(=O)NC3CCCC3)C2)cn1 ZINC000019747730 348069309 /nfs/dbraw/zinc/06/93/09/348069309.db2.gz OTKBPQXFZJGGAS-AWEZNQCLSA-N 1 2 292.383 0.680 40 0 CCABLO Cn1cc(C[N@H+]2CCO[C@H](C(=O)NC3CCCC3)C2)cn1 ZINC000019747730 348069310 /nfs/dbraw/zinc/06/93/10/348069310.db2.gz OTKBPQXFZJGGAS-AWEZNQCLSA-N 1 2 292.383 0.680 40 0 CCABLO C[NH+]1CCN(C(=O)CSc2ccccn2)CC1 ZINC000033733030 348147176 /nfs/dbraw/zinc/14/71/76/348147176.db2.gz AHBGPSKFGYOOEA-UHFFFAOYSA-N 1 2 251.355 0.948 40 0 CCABLO C[C@H]1c2[nH+]cc(Cn3cncn3)n2CCN1[C@H]1CCOC1 ZINC000107218877 186163571 /nfs/dbraw/zinc/16/35/71/186163571.db2.gz LOKCBFVXKHNIPH-RYUDHWBXSA-N 1 2 288.355 0.688 40 0 CCABLO NC(=O)[C@]1(O)CCC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000330364996 354326232 /nfs/dbraw/zinc/32/62/32/354326232.db2.gz BYZCWXKZVWXRCT-VIFPVBQESA-N 1 2 283.250 0.027 40 0 CCABLO NC(=O)[C@]1(O)CCC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000330364996 354326234 /nfs/dbraw/zinc/32/62/34/354326234.db2.gz BYZCWXKZVWXRCT-VIFPVBQESA-N 1 2 283.250 0.027 40 0 CCABLO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H](C)[S@@]1=O ZINC000331167673 354475589 /nfs/dbraw/zinc/47/55/89/354475589.db2.gz MXIQAVGDZRMVML-QPSSLKIMSA-N 1 2 271.386 0.085 40 0 CCABLO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H](C)[S@@]1=O ZINC000331167673 354475591 /nfs/dbraw/zinc/47/55/91/354475591.db2.gz MXIQAVGDZRMVML-QPSSLKIMSA-N 1 2 271.386 0.085 40 0 CCABLO CCCn1ccnc1C[N@@H+]1C[C@H](O)[C@@H](CC(=O)N(C)C)C1 ZINC000585278116 359259362 /nfs/dbraw/zinc/25/93/62/359259362.db2.gz QRHOGRHZUMXEGG-STQMWFEESA-N 1 2 294.399 0.564 40 0 CCABLO CCCn1ccnc1C[N@H+]1C[C@H](O)[C@@H](CC(=O)N(C)C)C1 ZINC000585278116 359259364 /nfs/dbraw/zinc/25/93/64/359259364.db2.gz QRHOGRHZUMXEGG-STQMWFEESA-N 1 2 294.399 0.564 40 0 CCABLO CCOC[C@H]1Cc2c([nH+]cn2C)CN1S(C)(=O)=O ZINC000585094967 359247888 /nfs/dbraw/zinc/24/78/88/359247888.db2.gz XPCWGZFQBLOMSA-SECBINFHSA-N 1 2 273.358 0.143 40 0 CCABLO CNC(=O)[C@@H]1CN(C(=O)C2CCC2)Cc2c[nH+]cn21 ZINC000585095996 359248085 /nfs/dbraw/zinc/24/80/85/359248085.db2.gz IZPVSTYBMZOLJG-NSHDSACASA-N 1 2 262.313 0.313 40 0 CCABLO CC(C)[N@H+]1Cc2ccnn2[C@H](CNS(C)(=O)=O)C1 ZINC000585111929 359250475 /nfs/dbraw/zinc/25/04/75/359250475.db2.gz JIZRJXFCHYVNIS-LLVKDONJSA-N 1 2 272.374 0.197 40 0 CCABLO CC(C)[N@@H+]1Cc2ccnn2[C@H](CNS(C)(=O)=O)C1 ZINC000585111929 359250480 /nfs/dbraw/zinc/25/04/80/359250480.db2.gz JIZRJXFCHYVNIS-LLVKDONJSA-N 1 2 272.374 0.197 40 0 CCABLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCCC[C@@H](O)[C@@H]1O ZINC000585290582 359262094 /nfs/dbraw/zinc/26/20/94/359262094.db2.gz FOZJTGURQFGEKE-MBWJUEOUSA-N 1 2 279.340 0.546 40 0 CCABLO Cn1ccnc1C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257231187 190016234 /nfs/dbraw/zinc/01/62/34/190016234.db2.gz GFQQUPKWCHEDMS-AAEUAGOBSA-N 1 2 251.330 0.536 40 0 CCABLO Cn1ccnc1C[N@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257231187 190016235 /nfs/dbraw/zinc/01/62/35/190016235.db2.gz GFQQUPKWCHEDMS-AAEUAGOBSA-N 1 2 251.330 0.536 40 0 CCABLO COc1cccc(F)c1C[N@@H+]1CCO[C@](C)(C(N)=O)C1 ZINC000257230855 190016496 /nfs/dbraw/zinc/01/64/96/190016496.db2.gz GEEKPUNLUWYRSK-AWEZNQCLSA-N 1 2 282.315 0.911 40 0 CCABLO COc1cccc(F)c1C[N@H+]1CCO[C@](C)(C(N)=O)C1 ZINC000257230855 190016497 /nfs/dbraw/zinc/01/64/97/190016497.db2.gz GEEKPUNLUWYRSK-AWEZNQCLSA-N 1 2 282.315 0.911 40 0 CCABLO Cc1cc(=O)[nH]c([C@@]2(C)CCC[N@@H+]2CC(N)=O)n1 ZINC000257237917 190018035 /nfs/dbraw/zinc/01/80/35/190018035.db2.gz HIUAKFDCFNCVMG-GFCCVEGCSA-N 1 2 250.302 0.287 40 0 CCABLO Cc1cc(=O)[nH]c([C@@]2(C)CCC[N@H+]2CC(N)=O)n1 ZINC000257237917 190018036 /nfs/dbraw/zinc/01/80/36/190018036.db2.gz HIUAKFDCFNCVMG-GFCCVEGCSA-N 1 2 250.302 0.287 40 0 CCABLO Cc1cn(C)c([C@@H]2CN(C(=O)Cn3cc[nH+]c3)CCO2)n1 ZINC000257243177 190018687 /nfs/dbraw/zinc/01/86/87/190018687.db2.gz IFTGDNPMDIHUKL-LBPRGKRZSA-N 1 2 289.339 0.525 40 0 CCABLO CS(=O)(=O)N1CC[C@@H](Cc2cccc(NCCO)[nH+]2)C1 ZINC000257256942 190021371 /nfs/dbraw/zinc/02/13/71/190021371.db2.gz KNLZEIAYYNFJCT-NSHDSACASA-N 1 2 299.396 0.310 40 0 CCABLO Cc1nc(N2CCC[C@H](CCNS(C)(=O)=O)C2)cc[nH+]1 ZINC000072369085 388961375 /nfs/dbraw/zinc/96/13/75/388961375.db2.gz BDQOVNRQTXKNFR-GFCCVEGCSA-N 1 2 298.412 0.941 40 0 CCABLO CC(C)[NH+]1CCN(S(=O)(=O)c2c[nH]ccc2=O)CC1 ZINC000071222444 388956644 /nfs/dbraw/zinc/95/66/44/388956644.db2.gz KWZMAKSKLBRFEF-UHFFFAOYSA-N 1 2 285.369 0.090 40 0 CCABLO CNC(=O)C[N@@H+]1CCCn2cnc(Cn3cccc3)c2C1 ZINC000096259456 389058056 /nfs/dbraw/zinc/05/80/56/389058056.db2.gz LRVQUIVJBQSWDH-UHFFFAOYSA-N 1 2 287.367 0.685 40 0 CCABLO CNC(=O)C[N@H+]1CCCn2cnc(Cn3cccc3)c2C1 ZINC000096259456 389058059 /nfs/dbraw/zinc/05/80/59/389058059.db2.gz LRVQUIVJBQSWDH-UHFFFAOYSA-N 1 2 287.367 0.685 40 0 CCABLO COC(=O)c1cn(C)nc1COCC[NH+]1CCOCC1 ZINC000575440960 390840642 /nfs/dbraw/zinc/84/06/42/390840642.db2.gz PPEDEZHFEQACFE-UHFFFAOYSA-N 1 2 283.328 0.056 40 0 CCABLO O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@H]1Cc1c[nH+]c[nH]1 ZINC000004899578 170037733 /nfs/dbraw/zinc/03/77/33/170037733.db2.gz HLXXMJDWTBXTOR-STQMWFEESA-N 1 2 284.319 0.178 40 0 CCABLO O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@H]1Cc1c[nH]c[nH+]1 ZINC000004899578 170037734 /nfs/dbraw/zinc/03/77/34/170037734.db2.gz HLXXMJDWTBXTOR-STQMWFEESA-N 1 2 284.319 0.178 40 0 CCABLO NC(=O)CCc1cccc([C@H]2CCC[N@@H+]2CC(N)=O)n1 ZINC000072366588 176382054 /nfs/dbraw/zinc/38/20/54/176382054.db2.gz SBNCHUCCHSAYRL-GFCCVEGCSA-N 1 2 276.340 0.122 40 0 CCABLO NC(=O)CCc1cccc([C@H]2CCC[N@H+]2CC(N)=O)n1 ZINC000072366588 176382055 /nfs/dbraw/zinc/38/20/55/176382055.db2.gz SBNCHUCCHSAYRL-GFCCVEGCSA-N 1 2 276.340 0.122 40 0 CCABLO CC(=O)N1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1c1ccccc1 ZINC000257326879 278039711 /nfs/dbraw/zinc/03/97/11/278039711.db2.gz WYYVDWFKSBBBSU-OAHLLOKOSA-N 1 2 289.379 0.980 40 0 CCABLO CC(=O)N1CC[N@H+](CC(=O)N(C)C)C[C@@H]1c1ccccc1 ZINC000257326879 278039712 /nfs/dbraw/zinc/03/97/12/278039712.db2.gz WYYVDWFKSBBBSU-OAHLLOKOSA-N 1 2 289.379 0.980 40 0 CCABLO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](C1COC1)C2 ZINC000096111903 290320397 /nfs/dbraw/zinc/32/03/97/290320397.db2.gz YKLUPJIECJTFAO-AAEUAGOBSA-N 1 2 274.320 0.884 40 0 biogenic,in-vitro CCABLO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](C1COC1)C2 ZINC000096111903 290320399 /nfs/dbraw/zinc/32/03/99/290320399.db2.gz YKLUPJIECJTFAO-AAEUAGOBSA-N 1 2 274.320 0.884 40 0 biogenic,in-vitro CCABLO Cc1c[nH]nc1[C@H]1COCC[N@@H+]1CC1(O)CCOCC1 ZINC000257258429 302330122 /nfs/dbraw/zinc/33/01/22/302330122.db2.gz KTURXALZNJKUEJ-GFCCVEGCSA-N 1 2 281.356 0.633 40 0 CCABLO Cc1c[nH]nc1[C@H]1COCC[N@H+]1CC1(O)CCOCC1 ZINC000257258429 302330124 /nfs/dbraw/zinc/33/01/24/302330124.db2.gz KTURXALZNJKUEJ-GFCCVEGCSA-N 1 2 281.356 0.633 40 0 CCABLO CN(Cc1ccccn1)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000096044164 185069965 /nfs/dbraw/zinc/06/99/65/185069965.db2.gz UMZGUCIOECNRAD-UHFFFAOYSA-N 1 2 271.324 0.723 40 0 CCABLO COCCN1C[C@H]2C[N@H+](Cc3ccccn3)CCN2C1=O ZINC000085436248 179062964 /nfs/dbraw/zinc/06/29/64/179062964.db2.gz VSTVEJKAJYGLSV-CQSZACIVSA-N 1 2 290.367 0.650 40 0 biogenic,in-vitro CCABLO COCCN1C[C@H]2C[N@@H+](Cc3ccccn3)CCN2C1=O ZINC000085436248 179062966 /nfs/dbraw/zinc/06/29/66/179062966.db2.gz VSTVEJKAJYGLSV-CQSZACIVSA-N 1 2 290.367 0.650 40 0 biogenic,in-vitro CCABLO COc1ccc(C(=O)Nc2c(N)nc[nH+]c2N)cc1 ZINC000001749415 347962952 /nfs/dbraw/zinc/96/29/52/347962952.db2.gz QZHKQMLVWQWPCG-UHFFFAOYSA-N 1 2 259.269 0.902 40 0 CCABLO Cc1nc(C)c(CC(=O)NCCCn2cc[nH+]c2)c(=O)[nH]1 ZINC000019937516 348073949 /nfs/dbraw/zinc/07/39/49/348073949.db2.gz YXSFOFGTMOSHSX-UHFFFAOYSA-N 1 2 289.339 0.332 40 0 CCABLO O=C(C[NH+]1CCN(c2ncccn2)CC1)N1CCCC1 ZINC000054530903 348558617 /nfs/dbraw/zinc/55/86/17/348558617.db2.gz RMJDSHGIULLUHK-UHFFFAOYSA-N 1 2 275.356 0.221 40 0 CCABLO O=C([O-])Cn1cc(C[NH2+]CC[NH2+]CCO)c2ccccc21 ZINC000062718622 348668979 /nfs/dbraw/zinc/66/89/79/348668979.db2.gz DMLXYUMHXKGFSH-UHFFFAOYSA-N 1 2 291.351 0.397 40 0 CCABLO CCOC(=O)[C@H]1C(=O)[C@@H](C(=O)OCC)[C@H](C)[NH2+][C@@H]1C ZINC000255004288 352539747 /nfs/dbraw/zinc/53/97/47/352539747.db2.gz XVOQMOGMRVWPRN-YNFQOJQRSA-N 1 2 271.313 0.294 40 0 CCABLO Cc1cc(N2CC[N@@H+](C(C)C)[C@H](C(N)=O)C2)ncn1 ZINC000072365980 348921312 /nfs/dbraw/zinc/92/13/12/348921312.db2.gz VLEJXMYNDQPIKI-NSHDSACASA-N 1 2 263.345 0.169 40 0 CCABLO Cc1cc(N2CC[N@H+](C(C)C)[C@H](C(N)=O)C2)ncn1 ZINC000072365980 348921313 /nfs/dbraw/zinc/92/13/13/348921313.db2.gz VLEJXMYNDQPIKI-NSHDSACASA-N 1 2 263.345 0.169 40 0 CCABLO CS(=O)(=O)NCC[C@@H]1C[N@@H+](C2CCC2)Cc2ccnn21 ZINC000247521133 352419644 /nfs/dbraw/zinc/41/96/44/352419644.db2.gz LOGNSBWAHBSNIN-CYBMUJFWSA-N 1 2 298.412 0.732 40 0 CCABLO CS(=O)(=O)NCC[C@@H]1C[N@H+](C2CCC2)Cc2ccnn21 ZINC000247521133 352419646 /nfs/dbraw/zinc/41/96/46/352419646.db2.gz LOGNSBWAHBSNIN-CYBMUJFWSA-N 1 2 298.412 0.732 40 0 CCABLO COCC(=O)NC[C@@H]1C[N@@H+](C(C)C)Cc2ccnn21 ZINC000248017237 352429041 /nfs/dbraw/zinc/42/90/41/352429041.db2.gz SXNLDMWLFMMTCG-GFCCVEGCSA-N 1 2 266.345 0.411 40 0 CCABLO COCC(=O)NC[C@@H]1C[N@H+](C(C)C)Cc2ccnn21 ZINC000248017237 352429045 /nfs/dbraw/zinc/42/90/45/352429045.db2.gz SXNLDMWLFMMTCG-GFCCVEGCSA-N 1 2 266.345 0.411 40 0 CCABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cnco2)[nH+]1 ZINC000257216300 352552249 /nfs/dbraw/zinc/55/22/49/352552249.db2.gz CTXBIYWVESRMCS-VIFPVBQESA-N 1 2 262.269 0.920 40 0 CCABLO COC[C@H]1CCn2nccc2C[N@@H+]1CC(=O)N(C)C ZINC000585097479 359247545 /nfs/dbraw/zinc/24/75/45/359247545.db2.gz MFYABEIICADLPC-GFCCVEGCSA-N 1 2 266.345 0.192 40 0 CCABLO COC[C@H]1CCn2nccc2C[N@H+]1CC(=O)N(C)C ZINC000585097479 359247547 /nfs/dbraw/zinc/24/75/47/359247547.db2.gz MFYABEIICADLPC-GFCCVEGCSA-N 1 2 266.345 0.192 40 0 CCABLO CCS(=O)(=O)N1CCOC[C@@H]1c1[nH]cc(C)[nH+]1 ZINC000585181454 359255372 /nfs/dbraw/zinc/25/53/72/359255372.db2.gz JPMBVLZWTIJYHV-SECBINFHSA-N 1 2 259.331 0.441 40 0 CCABLO O=C(CCCn1cc[nH+]c1)N1CCOC[C@H]1c1cc[nH]n1 ZINC000257209092 190012336 /nfs/dbraw/zinc/01/23/36/190012336.db2.gz BOXABRZUPZRQSM-ZDUSSCGKSA-N 1 2 289.339 0.987 40 0 CCABLO Cc1cn(C)c([C@@H]2CCN(C(=O)CN3CCOCC3)C2)[nH+]1 ZINC000257259272 190021266 /nfs/dbraw/zinc/02/12/66/190021266.db2.gz KXPIEWOZVYSIGE-CYBMUJFWSA-N 1 2 292.383 0.377 40 0 CCABLO CNC(=O)[C@@H]1CN(C(=O)CCc2ccc(F)cc2)CC[NH2+]1 ZINC000257290683 190027647 /nfs/dbraw/zinc/02/76/47/190027647.db2.gz QDXOJXDAZIZBBN-ZDUSSCGKSA-N 1 2 293.342 0.305 40 0 CCABLO CC(=O)N[C@H]1CC[N@H+](Cc2nccs2)CC[C@@H]1O ZINC000257303795 190030413 /nfs/dbraw/zinc/03/04/13/190030413.db2.gz SITHHPBUYWQWBH-QWRGUYRKSA-N 1 2 269.370 0.605 40 0 CCABLO CC(=O)N[C@H]1CC[N@@H+](Cc2nccs2)CC[C@@H]1O ZINC000257303795 190030414 /nfs/dbraw/zinc/03/04/14/190030414.db2.gz SITHHPBUYWQWBH-QWRGUYRKSA-N 1 2 269.370 0.605 40 0 CCABLO COc1ncc(C[N@H+]2C[C@H](OC)[C@]3(CCCO3)C2)cn1 ZINC000257325043 190034152 /nfs/dbraw/zinc/03/41/52/190034152.db2.gz WREYOZMIGGCNOF-JSGCOSHPSA-N 1 2 279.340 0.865 40 0 CCABLO COc1ncc(C[N@@H+]2C[C@H](OC)[C@]3(CCCO3)C2)cn1 ZINC000257325043 190034153 /nfs/dbraw/zinc/03/41/53/190034153.db2.gz WREYOZMIGGCNOF-JSGCOSHPSA-N 1 2 279.340 0.865 40 0 CCABLO CCCCc1[nH]c(CN2C[C@@H]3NC(=O)CO[C@H]3C2)c[nH+]1 ZINC000257328727 190034834 /nfs/dbraw/zinc/03/48/34/190034834.db2.gz XGWDAJWYXJKDHT-RYUDHWBXSA-N 1 2 278.356 0.452 40 0 CCABLO CCCCc1[nH]cc(CN2C[C@@H]3NC(=O)CO[C@H]3C2)[nH+]1 ZINC000257328727 190034835 /nfs/dbraw/zinc/03/48/35/190034835.db2.gz XGWDAJWYXJKDHT-RYUDHWBXSA-N 1 2 278.356 0.452 40 0 CCABLO O=C1CO[C@H]2CC[N@H+](Cc3cncs3)C[C@@H]2N1 ZINC000257273515 296340835 /nfs/dbraw/zinc/34/08/35/296340835.db2.gz NGXAKXKBHBTIHN-UWVGGRQHSA-N 1 2 253.327 0.232 40 0 CCABLO O=C1CO[C@H]2CC[N@@H+](Cc3cncs3)C[C@@H]2N1 ZINC000257273515 296340839 /nfs/dbraw/zinc/34/08/39/296340839.db2.gz NGXAKXKBHBTIHN-UWVGGRQHSA-N 1 2 253.327 0.232 40 0 CCABLO CS(=O)(=O)N1Cc2[nH+]ccn2C[C@@H](COCC2CC2)C1 ZINC000096187931 389048229 /nfs/dbraw/zinc/04/82/29/389048229.db2.gz ZJVQJTNDLVEHGY-GFCCVEGCSA-N 1 2 299.396 0.701 40 0 CCABLO CN(C)C(=O)CO[C@H]1COCC[N@H+](Cc2ccccn2)C1 ZINC000096296513 389058536 /nfs/dbraw/zinc/05/85/36/389058536.db2.gz QLPZMHFPECIKNQ-CQSZACIVSA-N 1 2 293.367 0.387 40 0 biogenic,in-vitro CCABLO CN(C)C(=O)CO[C@H]1COCC[N@@H+](Cc2ccccn2)C1 ZINC000096296513 389058537 /nfs/dbraw/zinc/05/85/37/389058537.db2.gz QLPZMHFPECIKNQ-CQSZACIVSA-N 1 2 293.367 0.387 40 0 biogenic,in-vitro CCABLO Cc1nnc(SCC(=O)N2CC[NH+](C)CC2)s1 ZINC000035183236 172036743 /nfs/dbraw/zinc/03/67/43/172036743.db2.gz KWVLGMOEBCPAIQ-UHFFFAOYSA-N 1 2 272.399 0.713 40 0 CCABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cnco2)[nH+]1 ZINC000257216299 301025513 /nfs/dbraw/zinc/02/55/13/301025513.db2.gz CTXBIYWVESRMCS-SECBINFHSA-N 1 2 262.269 0.920 40 0 CCABLO COC[C@@H]1C[N@H+](Cc2cnn(C)c2)Cc2nn(C)cc21 ZINC000096060354 185080728 /nfs/dbraw/zinc/08/07/28/185080728.db2.gz JFGDAZBPWCLDJI-LBPRGKRZSA-N 1 2 275.356 0.899 40 0 CCABLO COC[C@@H]1C[N@@H+](Cc2cnn(C)c2)Cc2nn(C)cc21 ZINC000096060354 185080730 /nfs/dbraw/zinc/08/07/30/185080730.db2.gz JFGDAZBPWCLDJI-LBPRGKRZSA-N 1 2 275.356 0.899 40 0 CCABLO C[N@@H+]1CCc2nc(N)c(C(=O)NC3CCOCC3)cc2C1 ZINC000019700647 348067360 /nfs/dbraw/zinc/06/73/60/348067360.db2.gz VXYJMSQZYHTVKM-UHFFFAOYSA-N 1 2 290.367 0.561 40 0 CCABLO C[N@H+]1CCc2nc(N)c(C(=O)NC3CCOCC3)cc2C1 ZINC000019700647 348067361 /nfs/dbraw/zinc/06/73/61/348067361.db2.gz VXYJMSQZYHTVKM-UHFFFAOYSA-N 1 2 290.367 0.561 40 0 CCABLO S=c1[nH]cnc2c1ncn2CC[NH+]1CCOCC1 ZINC000015220090 348039415 /nfs/dbraw/zinc/03/94/15/348039415.db2.gz BZVSMQOYOXOQNV-UHFFFAOYSA-N 1 2 265.342 0.821 40 0 CCABLO Cc1nc2ccc(N)cc2c(=O)n1CC[NH+]1CCOCC1 ZINC000019286560 348058807 /nfs/dbraw/zinc/05/88/07/348058807.db2.gz ISUPVYFOCGPNJW-UHFFFAOYSA-N 1 2 288.351 0.619 40 0 CCABLO Cc1[nH+]ccn1-c1cncc([C@@H]2CCCN2CC(N)=O)n1 ZINC000072355652 348921375 /nfs/dbraw/zinc/92/13/75/348921375.db2.gz FXGIBKKVPITJBP-LBPRGKRZSA-N 1 2 286.339 0.593 40 0 CCABLO CCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1[NH+]1CCCCC1 ZINC000217348037 351947137 /nfs/dbraw/zinc/94/71/37/351947137.db2.gz WAMNHAKKTLYHNX-GHMZBOCLSA-N 1 2 274.386 0.164 40 0 CCABLO COCCNC(=S)N1CC[NH+](Cc2ccccn2)CC1 ZINC000225225941 352001434 /nfs/dbraw/zinc/00/14/34/352001434.db2.gz OBQPNHIUWCDMDG-UHFFFAOYSA-N 1 2 294.424 0.720 40 0 CCABLO C[N@H+](Cc1cccc(Cl)c1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000250223974 352503584 /nfs/dbraw/zinc/50/35/84/352503584.db2.gz IVFACUHUWGVKFS-VXGBXAGGSA-N 1 2 289.784 0.930 40 0 CCABLO C[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000250223974 352503586 /nfs/dbraw/zinc/50/35/86/352503586.db2.gz IVFACUHUWGVKFS-VXGBXAGGSA-N 1 2 289.784 0.930 40 0 CCABLO C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)C(=O)N(C)C ZINC000332342921 354650138 /nfs/dbraw/zinc/65/01/38/354650138.db2.gz FOLQRZWYCBHEJN-QWRGUYRKSA-N 1 2 293.371 0.396 40 0 CCABLO CNc1cc(-c2cccnc2)[nH+]c(NCCCO)n1 ZINC000328965845 202133555 /nfs/dbraw/zinc/13/35/55/202133555.db2.gz CFMOTSFDPSRTDM-UHFFFAOYSA-N 1 2 259.313 0.218 40 0 CCABLO Cc1cncc(CN2Cc3[nH+]cn(C)c3C[C@@H]2CO)n1 ZINC000585094871 359246417 /nfs/dbraw/zinc/24/64/17/359246417.db2.gz RFYNTJBBDJOERD-GFCCVEGCSA-N 1 2 273.340 0.438 40 0 CCABLO CNC(=O)[C@H]1CN(C(=O)c2occc2C)Cc2c[nH+]cn21 ZINC000585095907 359247563 /nfs/dbraw/zinc/24/75/63/359247563.db2.gz ANGKEXKBBLHIJH-LLVKDONJSA-N 1 2 288.307 0.728 40 0 CCABLO COCc1nnc2n1CC[N@@H+](Cc1cc(C)[nH]n1)[C@H](C)C2 ZINC000585096843 359248397 /nfs/dbraw/zinc/24/83/97/359248397.db2.gz BQCDGNWJEGMIIG-LLVKDONJSA-N 1 2 290.371 0.903 40 0 CCABLO COCc1nnc2n1CC[N@H+](Cc1cc(C)[nH]n1)[C@H](C)C2 ZINC000585096843 359248399 /nfs/dbraw/zinc/24/83/99/359248399.db2.gz BQCDGNWJEGMIIG-LLVKDONJSA-N 1 2 290.371 0.903 40 0 CCABLO COC[C@]1(CC(=O)N(C)C)CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000585277342 359259543 /nfs/dbraw/zinc/25/95/43/359259543.db2.gz UXZKOUFKHIXDHZ-AWEZNQCLSA-N 1 2 296.371 0.105 40 0 CCABLO CNC(=O)[C@@H]1CN(C(C)=O)CC[N@H+](Cc2cc(C)on2)C1 ZINC000257288834 190026847 /nfs/dbraw/zinc/02/68/47/190026847.db2.gz PVWZVEFNCIPCLY-LBPRGKRZSA-N 1 2 294.355 0.009 40 0 CCABLO CNC(=O)[C@@H]1CN(C(C)=O)CC[N@@H+](Cc2cc(C)on2)C1 ZINC000257288834 190026848 /nfs/dbraw/zinc/02/68/48/190026848.db2.gz PVWZVEFNCIPCLY-LBPRGKRZSA-N 1 2 294.355 0.009 40 0 CCABLO Cn1ccnc1C[N@@H+]1CCOC[C@H](Cc2cncnc2)C1 ZINC000257274302 190024386 /nfs/dbraw/zinc/02/43/86/190024386.db2.gz NKKSCLZIJVIHCO-CQSZACIVSA-N 1 2 287.367 0.901 40 0 CCABLO Cn1ccnc1C[N@H+]1CCOC[C@H](Cc2cncnc2)C1 ZINC000257274302 190024387 /nfs/dbraw/zinc/02/43/87/190024387.db2.gz NKKSCLZIJVIHCO-CQSZACIVSA-N 1 2 287.367 0.901 40 0 CCABLO CN(C)C(=O)[C@@]1(C)CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000257325881 190034383 /nfs/dbraw/zinc/03/43/83/190034383.db2.gz WUVZBOVZADEPBA-GFCCVEGCSA-N 1 2 252.318 0.089 40 0 CCABLO CN(C)C(=O)[C@@]1(C)CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000257325881 190034384 /nfs/dbraw/zinc/03/43/84/190034384.db2.gz WUVZBOVZADEPBA-GFCCVEGCSA-N 1 2 252.318 0.089 40 0 CCABLO CC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H](C(N)=O)C1 ZINC000257324157 190034390 /nfs/dbraw/zinc/03/43/90/190034390.db2.gz WNKNYAHLZMBFFX-CQSZACIVSA-N 1 2 290.367 0.156 40 0 CCABLO CC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H](C(N)=O)C1 ZINC000257324157 190034391 /nfs/dbraw/zinc/03/43/91/190034391.db2.gz WNKNYAHLZMBFFX-CQSZACIVSA-N 1 2 290.367 0.156 40 0 CCABLO CCOC(=O)[C@H]1C(=O)[C@@H](C(=O)OCC)[C@@H](C)[NH2+][C@H]1C ZINC000071255556 388957897 /nfs/dbraw/zinc/95/78/97/388957897.db2.gz XVOQMOGMRVWPRN-FIRGSJFUSA-N 1 2 271.313 0.294 40 0 CCABLO O=C(NC1CC1)N1CCn2c(Cn3cccn3)c[nH+]c2C1 ZINC000096201126 389051527 /nfs/dbraw/zinc/05/15/27/389051527.db2.gz ATYMILYKHHSLSO-UHFFFAOYSA-N 1 2 286.339 0.816 40 0 CCABLO Cc1cc(C[N@@H+]2CC[C@H]3C(=O)NCCO[C@H]3C2)no1 ZINC000096206221 389052948 /nfs/dbraw/zinc/05/29/48/389052948.db2.gz VYFMSUATOQNCHA-NEPJUHHUSA-N 1 2 265.313 0.320 40 0 CCABLO Cc1cc(C[N@H+]2CC[C@H]3C(=O)NCCO[C@H]3C2)no1 ZINC000096206221 389052951 /nfs/dbraw/zinc/05/29/51/389052951.db2.gz VYFMSUATOQNCHA-NEPJUHHUSA-N 1 2 265.313 0.320 40 0 CCABLO CN(C)c1ccc([C@H]2C[N@H+](CCO)CCO2)nc1 ZINC000072381351 176387804 /nfs/dbraw/zinc/38/78/04/176387804.db2.gz NSLJXGRFTBQDQM-CYBMUJFWSA-N 1 2 251.330 0.513 40 0 CCABLO CN(C)c1ccc([C@H]2C[N@@H+](CCO)CCO2)nc1 ZINC000072381351 176387806 /nfs/dbraw/zinc/38/78/06/176387806.db2.gz NSLJXGRFTBQDQM-CYBMUJFWSA-N 1 2 251.330 0.513 40 0 CCABLO OCCc1cc([C@H]2C[N@H+](CC3CC3)CCO2)n[nH]1 ZINC000072383322 176388683 /nfs/dbraw/zinc/38/86/83/176388683.db2.gz LOGYWGSLTMTVHQ-CYBMUJFWSA-N 1 2 251.330 0.728 40 0 CCABLO OCCc1cc([C@H]2C[N@@H+](CC3CC3)CCO2)n[nH]1 ZINC000072383322 176388684 /nfs/dbraw/zinc/38/86/84/176388684.db2.gz LOGYWGSLTMTVHQ-CYBMUJFWSA-N 1 2 251.330 0.728 40 0 CCABLO COCCC(=O)N1CC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000072383351 176388894 /nfs/dbraw/zinc/38/88/94/176388894.db2.gz PLNAICDCEXXJJR-NSHDSACASA-N 1 2 251.330 0.848 40 0 CCABLO COC[C@@H]1C[N@H+](Cc2cnn(C)c2)Cc2nnn(C)c21 ZINC000096060600 185080751 /nfs/dbraw/zinc/08/07/51/185080751.db2.gz FYUNQRLYCDYPMD-NSHDSACASA-N 1 2 276.344 0.294 40 0 CCABLO COC[C@@H]1C[N@@H+](Cc2cnn(C)c2)Cc2nnn(C)c21 ZINC000096060600 185080753 /nfs/dbraw/zinc/08/07/53/185080753.db2.gz FYUNQRLYCDYPMD-NSHDSACASA-N 1 2 276.344 0.294 40 0 CCABLO CCc1[nH+]c(N)nc(N)c1-c1ccc2nnn(O)c2c1 ZINC000001591463 347958145 /nfs/dbraw/zinc/95/81/45/347958145.db2.gz BLZRHAHPFSQXKH-UHFFFAOYSA-N 1 2 271.284 0.852 40 0 CCABLO O=C(NCCC[NH+]1CCOCC1)c1n[nH]cc1Cl ZINC000017007123 348051779 /nfs/dbraw/zinc/05/17/79/348051779.db2.gz ZQLNBCJHQFVBIW-UHFFFAOYSA-N 1 2 272.736 0.515 40 0 CCABLO OCc1cc(CC2([NH2+]Cc3ccco3)COC2)no1 ZINC000067898063 348789281 /nfs/dbraw/zinc/78/92/81/348789281.db2.gz LYCQEDUURQVGQY-UHFFFAOYSA-N 1 2 264.281 0.861 40 0 biogenic,in-vitro CCABLO O=C(Cn1cc[nH+]c1)N1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257270002 352551848 /nfs/dbraw/zinc/55/18/48/352551848.db2.gz MSJIYLGHJLDMMV-AAEUAGOBSA-N 1 2 265.313 0.026 40 0 CCABLO CCS(=O)(=O)N1CCn2c(CCOC)c[nH+]c2[C@H]1C ZINC000585098720 359247616 /nfs/dbraw/zinc/24/76/16/359247616.db2.gz XXOVXMLHNUMSSY-SNVBAGLBSA-N 1 2 287.385 0.798 40 0 CCABLO O=C(CCCn1cc[nH+]c1)N1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257262976 190021989 /nfs/dbraw/zinc/02/19/89/190021989.db2.gz LNVRRCCJALPASE-ZFWWWQNUSA-N 1 2 293.367 0.806 40 0 CCABLO Cc1[nH+]c[nH]c1CN1CCO[C@](C)(C(=O)N(C)C)C1 ZINC000257313674 190031635 /nfs/dbraw/zinc/03/16/35/190031635.db2.gz UTOVBUSTYZQMKU-ZDUSSCGKSA-N 1 2 266.345 0.397 40 0 CCABLO COCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@H]1O ZINC000257303841 190030407 /nfs/dbraw/zinc/03/04/07/190030407.db2.gz SIYSECCKJVCXFW-CHWSQXEVSA-N 1 2 298.770 0.648 40 0 CCABLO COCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@H]1O ZINC000257303841 190030408 /nfs/dbraw/zinc/03/04/08/190030408.db2.gz SIYSECCKJVCXFW-CHWSQXEVSA-N 1 2 298.770 0.648 40 0 CCABLO CCOc1cc([C@@H]([NH3+])c2nc(CO)n[nH]2)ccc1OC ZINC000095534485 256745039 /nfs/dbraw/zinc/74/50/39/256745039.db2.gz NJMLTFGATITFFT-GFCCVEGCSA-N 1 2 278.312 0.752 40 0 CCABLO CC(C)[NH+]1CCN(S(=O)(=O)c2cnccc2NN)CC1 ZINC000071220322 388956328 /nfs/dbraw/zinc/95/63/28/388956328.db2.gz OKRIHJCCGLJFRC-UHFFFAOYSA-N 1 2 299.400 0.082 40 0 CCABLO CC(=O)N1CCc2[nH+]cc(CNC(=O)C3CCC3)n2CC1 ZINC000096197067 389049932 /nfs/dbraw/zinc/04/99/32/389049932.db2.gz TZSXTBDUEGMZMX-UHFFFAOYSA-N 1 2 290.367 0.704 40 0 CCABLO CC(C)[N@@H+]1C[C@H]2NS(=O)(=O)c3cccnc3O[C@H]2C1 ZINC000514289223 390466729 /nfs/dbraw/zinc/46/67/29/390466729.db2.gz GGWYKZJUQFVNKH-ZJUUUORDSA-N 1 2 283.353 0.214 40 0 biogenic,in-vitro CCABLO CC(C)[N@H+]1C[C@H]2NS(=O)(=O)c3cccnc3O[C@H]2C1 ZINC000514289223 390466734 /nfs/dbraw/zinc/46/67/34/390466734.db2.gz GGWYKZJUQFVNKH-ZJUUUORDSA-N 1 2 283.353 0.214 40 0 biogenic,in-vitro CCABLO CC[N@H+](Cc1ccc(C)cc1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000575420079 390839696 /nfs/dbraw/zinc/83/96/96/390839696.db2.gz FJUBMSVJPYFOIP-UONOGXRCSA-N 1 2 283.393 0.975 40 0 CCABLO CC[N@@H+](Cc1ccc(C)cc1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000575420079 390839699 /nfs/dbraw/zinc/83/96/99/390839699.db2.gz FJUBMSVJPYFOIP-UONOGXRCSA-N 1 2 283.393 0.975 40 0 CCABLO Cc1cnn(Cc2[nH]n3cnc4nncc-4c3[nH+]2)c1 ZINC000006447354 170201889 /nfs/dbraw/zinc/20/18/89/170201889.db2.gz YEYIWFGLVMQLMA-UHFFFAOYSA-N 1 2 254.257 0.554 40 0 CCABLO Cc1cc(=O)[nH]c(NC(=[NH2+])NCc2ccccn2)n1 ZINC000020423481 171190334 /nfs/dbraw/zinc/19/03/34/171190334.db2.gz STFPUTRQDLYAQW-UHFFFAOYSA-N 1 2 258.285 0.610 40 0 CCABLO COC(=O)[C@@H]1C[NH+]=C(CNC(=O)OCc2ccccc2)N1 ZINC000021986605 171345784 /nfs/dbraw/zinc/34/57/84/171345784.db2.gz RZTHEMOWHQHWKD-NSHDSACASA-N 1 2 291.307 0.456 40 0 CCABLO CNC(=O)c1cccc([C@@H]2CN(C(C)=O)CC[N@@H+]2C)c1 ZINC000072366538 176381554 /nfs/dbraw/zinc/38/15/54/176381554.db2.gz NKTJBNZECNFALA-AWEZNQCLSA-N 1 2 275.352 0.881 40 0 CCABLO CNC(=O)c1cccc([C@@H]2CN(C(C)=O)CC[N@H+]2C)c1 ZINC000072366538 176381555 /nfs/dbraw/zinc/38/15/55/176381555.db2.gz NKTJBNZECNFALA-AWEZNQCLSA-N 1 2 275.352 0.881 40 0 CCABLO COC[C@@H]1CN(C(=O)c2cnccn2)Cc2[nH+]cn(C)c21 ZINC000096068605 277579353 /nfs/dbraw/zinc/57/93/53/277579353.db2.gz HCFZSIHSHXDAJE-JTQLQIEISA-N 1 2 287.323 0.596 40 0 CCABLO Cc1cc(C)nc(N2CC[N@H+](C)[C@@H](C(=O)N(C)C)C2)n1 ZINC000248030390 334293791 /nfs/dbraw/zinc/29/37/91/334293791.db2.gz SWJKZRVXFNZKBJ-GFCCVEGCSA-N 1 2 277.372 0.302 40 0 CCABLO Cc1cc(C)nc(N2CC[N@@H+](C)[C@@H](C(=O)N(C)C)C2)n1 ZINC000248030390 334293792 /nfs/dbraw/zinc/29/37/92/334293792.db2.gz SWJKZRVXFNZKBJ-GFCCVEGCSA-N 1 2 277.372 0.302 40 0 CCABLO CCO/C(C=C(C(=O)OC)C(=O)OC)=C\[NH+](C)C ZINC000033707366 348147561 /nfs/dbraw/zinc/14/75/61/348147561.db2.gz KYJAOTPWBHVQJP-HJWRWDBZSA-N 1 2 257.286 0.698 40 0 CCABLO Cn1cnc2cc(C(=O)N3CC[NH+](C)CC3)ccc21 ZINC000074705426 348999574 /nfs/dbraw/zinc/99/95/74/348999574.db2.gz UFUVZSUXIQFILD-UHFFFAOYSA-N 1 2 258.325 0.961 40 0 CCABLO CN([C@H]1CCCN(c2cccc[nH+]2)C1)S(C)(=O)=O ZINC000078401359 349137066 /nfs/dbraw/zinc/13/70/66/349137066.db2.gz DLZOCEGZVNRNJB-NSHDSACASA-N 1 2 269.370 0.942 40 0 CCABLO Cn1ccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)n1 ZINC000270787514 352985659 /nfs/dbraw/zinc/98/56/59/352985659.db2.gz LFWVXMHSJXQAJF-AWEZNQCLSA-N 1 2 292.383 0.633 40 0 CCABLO Cn1ccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)n1 ZINC000270787514 352985663 /nfs/dbraw/zinc/98/56/63/352985663.db2.gz LFWVXMHSJXQAJF-AWEZNQCLSA-N 1 2 292.383 0.633 40 0 CCABLO CO[C@]1(CCC(N)=O)CCC[N@H+](Cc2cn[nH]c2C)C1 ZINC000585276022 359258388 /nfs/dbraw/zinc/25/83/88/359258388.db2.gz LCXDSJZTXIYGGE-AWEZNQCLSA-N 1 2 280.372 0.965 40 0 CCABLO CO[C@]1(CCC(N)=O)CCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000585276022 359258392 /nfs/dbraw/zinc/25/83/92/359258392.db2.gz LCXDSJZTXIYGGE-AWEZNQCLSA-N 1 2 280.372 0.965 40 0 CCABLO COCc1nnc2n1CC[N@@H+](Cc1cc(C)[nH]n1)[C@@H](C)C2 ZINC000585096848 359247975 /nfs/dbraw/zinc/24/79/75/359247975.db2.gz BQCDGNWJEGMIIG-NSHDSACASA-N 1 2 290.371 0.903 40 0 CCABLO COCc1nnc2n1CC[N@H+](Cc1cc(C)[nH]n1)[C@@H](C)C2 ZINC000585096848 359247983 /nfs/dbraw/zinc/24/79/83/359247983.db2.gz BQCDGNWJEGMIIG-NSHDSACASA-N 1 2 290.371 0.903 40 0 CCABLO CCOC[C@H]1CCn2nccc2C[N@@H+]1CC(=O)N(C)C ZINC000585097384 359248314 /nfs/dbraw/zinc/24/83/14/359248314.db2.gz KOBZLZQTSSCJCN-CYBMUJFWSA-N 1 2 280.372 0.582 40 0 CCABLO CCOC[C@H]1CCn2nccc2C[N@H+]1CC(=O)N(C)C ZINC000585097384 359248320 /nfs/dbraw/zinc/24/83/20/359248320.db2.gz KOBZLZQTSSCJCN-CYBMUJFWSA-N 1 2 280.372 0.582 40 0 CCABLO CCS(=O)(=O)N1CCOC[C@H]1c1[nH]cc(C)[nH+]1 ZINC000585181455 359255314 /nfs/dbraw/zinc/25/53/14/359255314.db2.gz JPMBVLZWTIJYHV-VIFPVBQESA-N 1 2 259.331 0.441 40 0 CCABLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@]2(CCCO2)[C@H](O)C1 ZINC000585291257 359263610 /nfs/dbraw/zinc/26/36/10/359263610.db2.gz NYDHDIIXNIJCCK-SDEBIZQBSA-N 1 2 277.324 0.565 40 0 CCABLO CC(C)(CNC(=O)Nc1ccon1)[NH+]1CCOCC1 ZINC000180495209 189258601 /nfs/dbraw/zinc/25/86/01/189258601.db2.gz SXJWUUCCHGPRKP-UHFFFAOYSA-N 1 2 268.317 0.907 40 0 CCABLO CNc1nc(N2CC[NH+](C)CC2)nc2c1C(=O)CCC2 ZINC000010157623 283699998 /nfs/dbraw/zinc/69/99/98/283699998.db2.gz QJZCOZNVUUDRMT-UHFFFAOYSA-N 1 2 275.356 0.789 40 0 CCABLO CC(C)n1nccc1C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000257253666 190020896 /nfs/dbraw/zinc/02/08/96/190020896.db2.gz JZUHWDUMBWPLBX-STQMWFEESA-N 1 2 278.356 0.553 40 0 CCABLO CC(C)n1nccc1C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000257253666 190020897 /nfs/dbraw/zinc/02/08/97/190020897.db2.gz JZUHWDUMBWPLBX-STQMWFEESA-N 1 2 278.356 0.553 40 0 CCABLO Cc1nc([C@H]2COCCN2Cc2[nH+]ccn2C)cc(=O)[nH]1 ZINC000257262655 190022017 /nfs/dbraw/zinc/02/20/17/190022017.db2.gz LMGRUOOCKACQMY-GFCCVEGCSA-N 1 2 289.339 0.798 40 0 CCABLO O=C1CO[C@@H]2CC[N@H+](Cc3cncs3)C[C@@H]2N1 ZINC000257273516 190024468 /nfs/dbraw/zinc/02/44/68/190024468.db2.gz NGXAKXKBHBTIHN-VHSXEESVSA-N 1 2 253.327 0.232 40 0 CCABLO O=C1CO[C@@H]2CC[N@@H+](Cc3cncs3)C[C@@H]2N1 ZINC000257273516 190024469 /nfs/dbraw/zinc/02/44/69/190024469.db2.gz NGXAKXKBHBTIHN-VHSXEESVSA-N 1 2 253.327 0.232 40 0 CCABLO Cc1c[nH]c([C@@H]2CCN(S(=O)(=O)N3CCCC3)C2)[nH+]1 ZINC000257306019 190031285 /nfs/dbraw/zinc/03/12/85/190031285.db2.gz SSNGXFKVYZBCSB-LLVKDONJSA-N 1 2 284.385 0.848 40 0 CCABLO CNC(=O)[C@H]1C[N@H+](Cc2cccc(F)c2)CCN1C(C)=O ZINC000257320037 190033139 /nfs/dbraw/zinc/03/31/39/190033139.db2.gz VVBKERVVAWHTHX-CQSZACIVSA-N 1 2 293.342 0.604 40 0 CCABLO CNC(=O)[C@H]1C[N@@H+](Cc2cccc(F)c2)CCN1C(C)=O ZINC000257320037 190033140 /nfs/dbraw/zinc/03/31/40/190033140.db2.gz VVBKERVVAWHTHX-CQSZACIVSA-N 1 2 293.342 0.604 40 0 CCABLO COCC(=O)N1Cc2c[nH+]cn2C[C@@H](COC)C1 ZINC000096208656 256823807 /nfs/dbraw/zinc/82/38/07/256823807.db2.gz FWYIEBCYJRQTDX-JTQLQIEISA-N 1 2 253.302 0.134 40 0 CCABLO CS(=O)(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC000096207226 256824185 /nfs/dbraw/zinc/82/41/85/256824185.db2.gz WQYXEEMGDXNASS-LBPRGKRZSA-N 1 2 299.396 0.701 40 0 CCABLO O=C(C[NH+]1CCC(O)(c2cccnc2)CC1)NCC1CC1 ZINC000012113236 388779001 /nfs/dbraw/zinc/77/90/01/388779001.db2.gz DBRBAFQATFRTDF-UHFFFAOYSA-N 1 2 289.379 0.891 40 0 CCABLO CC(=O)N1CCO[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC000096220282 389054276 /nfs/dbraw/zinc/05/42/76/389054276.db2.gz QFBSPYSBBNTJBM-VXGBXAGGSA-N 1 2 281.381 0.822 40 0 CCABLO CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC000096220282 389054278 /nfs/dbraw/zinc/05/42/78/389054278.db2.gz QFBSPYSBBNTJBM-VXGBXAGGSA-N 1 2 281.381 0.822 40 0 CCABLO NNc1nc2ccccc2c(=O)n1CCc1c[nH+]c[nH]1 ZINC000408712847 389376235 /nfs/dbraw/zinc/37/62/35/389376235.db2.gz WRDAYQCXKNFVLH-UHFFFAOYSA-N 1 2 270.296 0.648 40 0 CCABLO NNc1nc2ccccc2c(=O)n1CCc1c[nH]c[nH+]1 ZINC000408712847 389376240 /nfs/dbraw/zinc/37/62/40/389376240.db2.gz WRDAYQCXKNFVLH-UHFFFAOYSA-N 1 2 270.296 0.648 40 0 CCABLO COC(=O)c1cc(N)ccc1NCC[NH+]1CCOCC1 ZINC000041081885 174474872 /nfs/dbraw/zinc/47/48/72/174474872.db2.gz HHJYOKHQEKWYBY-UHFFFAOYSA-N 1 2 279.340 0.800 40 0 CCABLO COC(=O)c1cccc([C@@H]2CN(C(C)=O)CC[NH2+]2)c1 ZINC000072366056 176380872 /nfs/dbraw/zinc/38/08/72/176380872.db2.gz UFFSFKCRXYFDMO-ZDUSSCGKSA-N 1 2 262.309 0.966 40 0 CCABLO CO[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@]12CCCO2 ZINC000257271062 294568739 /nfs/dbraw/zinc/56/87/39/294568739.db2.gz MWPRBQSFKNODIF-AAEUAGOBSA-N 1 2 265.313 0.290 40 0 CCABLO c1cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)n[nH]1 ZINC000096081785 349618170 /nfs/dbraw/zinc/61/81/70/349618170.db2.gz PURDEDIWFSZXQW-OLZOCXBDSA-N 1 2 286.339 0.289 40 0 CCABLO c1cc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)n[nH]1 ZINC000096081785 349618174 /nfs/dbraw/zinc/61/81/74/349618174.db2.gz PURDEDIWFSZXQW-OLZOCXBDSA-N 1 2 286.339 0.289 40 0 CCABLO Cc1cccc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)[nH+]1 ZINC000120175439 349972470 /nfs/dbraw/zinc/97/24/70/349972470.db2.gz KLPZAQXFRXNNHN-ZDUSSCGKSA-N 1 2 295.408 0.699 40 0 CCABLO Nc1ccccc1OCC[NH+]1CCN(CCO)CC1 ZINC000019798154 348070951 /nfs/dbraw/zinc/07/09/51/348070951.db2.gz LQQFQLWGGHYWDN-UHFFFAOYSA-N 1 2 265.357 0.258 40 0 CCABLO Cn1c2ccccc2n(CC(=O)NCc2[nH]cc[nH+]2)c1=O ZINC000019289897 348058849 /nfs/dbraw/zinc/05/88/49/348058849.db2.gz CVZGDXUPRPSPFE-UHFFFAOYSA-N 1 2 285.307 0.380 40 0 CCABLO COc1ccccc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000057467029 348610496 /nfs/dbraw/zinc/61/04/96/348610496.db2.gz PPWHKFBJISKUFY-UHFFFAOYSA-N 1 2 277.368 0.905 40 0 CCABLO COCC[N@@H+]1CCO[C@H]2CCN(Cc3ccnn3C)C[C@@H]21 ZINC000108527052 186220814 /nfs/dbraw/zinc/22/08/14/186220814.db2.gz QEUYCFIVYQUCKE-GJZGRUSLSA-N 1 2 294.399 0.342 40 0 CCABLO COCC[N@H+]1CCO[C@H]2CCN(Cc3ccnn3C)C[C@@H]21 ZINC000108527052 186220816 /nfs/dbraw/zinc/22/08/16/186220816.db2.gz QEUYCFIVYQUCKE-GJZGRUSLSA-N 1 2 294.399 0.342 40 0 CCABLO CNC(=O)c1ccc(NCC[NH+]2CCOCC2)c(N)c1 ZINC000212215463 351929669 /nfs/dbraw/zinc/92/96/69/351929669.db2.gz GZPBHIXICXOMOC-UHFFFAOYSA-N 1 2 278.356 0.373 40 0 CCABLO OCC[N@@H+]1CCO[C@@H](COc2cccc(F)c2)C1 ZINC000217486754 351948269 /nfs/dbraw/zinc/94/82/69/351948269.db2.gz KKBKYHRFOQEGSA-CYBMUJFWSA-N 1 2 255.289 0.898 40 0 CCABLO OCC[N@H+]1CCO[C@@H](COc2cccc(F)c2)C1 ZINC000217486754 351948272 /nfs/dbraw/zinc/94/82/72/351948272.db2.gz KKBKYHRFOQEGSA-CYBMUJFWSA-N 1 2 255.289 0.898 40 0 CCABLO S=C(NCC[NH+]1CCOCC1)Nc1ncccn1 ZINC000225177744 352001390 /nfs/dbraw/zinc/00/13/90/352001390.db2.gz QJTHIGPMBTUQJB-UHFFFAOYSA-N 1 2 267.358 0.095 40 0 CCABLO CCOC(=O)C[N@@H+]1[C@@H]2C[C@H](C(=O)OCC)C[C@H]1C[C@H](O)C2 ZINC000245224408 352316185 /nfs/dbraw/zinc/31/61/85/352316185.db2.gz WCDRGGYHUBTALP-MPZDIEGVSA-N 1 2 299.367 0.717 40 0 CCABLO CCOC(=O)C[N@H+]1[C@@H]2C[C@H](C(=O)OCC)C[C@H]1C[C@H](O)C2 ZINC000245224408 352316189 /nfs/dbraw/zinc/31/61/89/352316189.db2.gz WCDRGGYHUBTALP-MPZDIEGVSA-N 1 2 299.367 0.717 40 0 CCABLO COC[C@@H]1CN(C(=O)c2cnccn2)Cc2c[nH+]cn21 ZINC000247887427 352427190 /nfs/dbraw/zinc/42/71/90/352427190.db2.gz RYNVUUWNXOEREB-NSHDSACASA-N 1 2 273.296 0.517 40 0 CCABLO C[N@H+](Cc1cccc(F)c1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000250220869 352503578 /nfs/dbraw/zinc/50/35/78/352503578.db2.gz HMCBKQZSQXAHGE-VXGBXAGGSA-N 1 2 273.329 0.415 40 0 CCABLO C[N@@H+](Cc1cccc(F)c1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000250220869 352503580 /nfs/dbraw/zinc/50/35/80/352503580.db2.gz HMCBKQZSQXAHGE-VXGBXAGGSA-N 1 2 273.329 0.415 40 0 CCABLO Cn1cc(C[NH+]2CCN(c3nccn4ccnc34)CC2)cn1 ZINC000306135626 354172620 /nfs/dbraw/zinc/17/26/20/354172620.db2.gz OWFCMGKJYSGWNC-UHFFFAOYSA-N 1 2 297.366 0.785 40 0 CCABLO CO[C@H]1CN(c2cc[nH+]c(C)n2)C[C@@H]1CC(=O)N(C)C ZINC000585277891 359259436 /nfs/dbraw/zinc/25/94/36/359259436.db2.gz YTWKXVIVTRGXPY-RYUDHWBXSA-N 1 2 278.356 0.715 40 0 CCABLO CO[C@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1CC(=O)N(C)C ZINC000585277889 359259786 /nfs/dbraw/zinc/25/97/86/359259786.db2.gz YTWKXVIVTRGXPY-NEPJUHHUSA-N 1 2 278.356 0.715 40 0 CCABLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@@]2(CCCO2)C(=O)C1 ZINC000585292229 359263962 /nfs/dbraw/zinc/26/39/62/359263962.db2.gz ZCLAVWNQERCADP-HSWBROFVSA-N 1 2 275.308 0.774 40 0 CCABLO Cn1ccnc1C[N@@H+]1CCOC[C@@H](Cc2cnccn2)C1 ZINC000257307246 190030951 /nfs/dbraw/zinc/03/09/51/190030951.db2.gz SXVNHLIBSWQJCS-ZDUSSCGKSA-N 1 2 287.367 0.901 40 0 CCABLO Cn1ccnc1C[N@H+]1CCOC[C@@H](Cc2cnccn2)C1 ZINC000257307246 190030952 /nfs/dbraw/zinc/03/09/52/190030952.db2.gz SXVNHLIBSWQJCS-ZDUSSCGKSA-N 1 2 287.367 0.901 40 0 CCABLO Nc1nc2c(c(N)n1)C[C@]1(CC[N@H+](Cc3ccncc3)C1)O2 ZINC000257322932 190034082 /nfs/dbraw/zinc/03/40/82/190034082.db2.gz WIBVFLWYMANCDN-HNNXBMFYSA-N 1 2 298.350 0.616 40 0 CCABLO Nc1nc2c(c(N)n1)C[C@]1(CC[N@@H+](Cc3ccncc3)C1)O2 ZINC000257322932 190034083 /nfs/dbraw/zinc/03/40/83/190034083.db2.gz WIBVFLWYMANCDN-HNNXBMFYSA-N 1 2 298.350 0.616 40 0 CCABLO C[NH+]1CCN(S(=O)(=O)Cc2cccc(N)c2)CC1 ZINC000037052896 388845482 /nfs/dbraw/zinc/84/54/82/388845482.db2.gz IFDAQUPEXDSJEB-UHFFFAOYSA-N 1 2 269.370 0.346 40 0 CCABLO CNC(=O)[C@]1(C)CN(c2cc(C)[nH+]cn2)CCO1 ZINC000072379626 388961423 /nfs/dbraw/zinc/96/14/23/388961423.db2.gz MCKLDCWURGMWGV-LBPRGKRZSA-N 1 2 250.302 0.126 40 0 CCABLO Cc1ccc(N2CC[N@@H+](C(C)C)[C@H](C(N)=O)C2)nn1 ZINC000072369147 388961914 /nfs/dbraw/zinc/96/19/14/388961914.db2.gz RXEWIJCEEGQQNH-NSHDSACASA-N 1 2 263.345 0.169 40 0 CCABLO Cc1ccc(N2CC[N@H+](C(C)C)[C@H](C(N)=O)C2)nn1 ZINC000072369147 388961919 /nfs/dbraw/zinc/96/19/19/388961919.db2.gz RXEWIJCEEGQQNH-NSHDSACASA-N 1 2 263.345 0.169 40 0 CCABLO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCSCC1 ZINC000096516089 389062792 /nfs/dbraw/zinc/06/27/92/389062792.db2.gz YLWRCYLGXJKPNO-UHFFFAOYSA-N 1 2 252.343 0.244 40 0 CCABLO OC1(C[N@@H+]2CCOC[C@H]2c2cc[nH]n2)CCOCC1 ZINC000257253123 389269578 /nfs/dbraw/zinc/26/95/78/389269578.db2.gz JXQXYHPGCYOZAE-LBPRGKRZSA-N 1 2 267.329 0.325 40 0 CCABLO OC1(C[N@H+]2CCOC[C@H]2c2cc[nH]n2)CCOCC1 ZINC000257253123 389269583 /nfs/dbraw/zinc/26/95/83/389269583.db2.gz JXQXYHPGCYOZAE-LBPRGKRZSA-N 1 2 267.329 0.325 40 0 CCABLO CC(C)[N@@H+]1CCN(C(=O)c2ccc(F)cc2)C[C@H]1C(N)=O ZINC000257327976 389269873 /nfs/dbraw/zinc/26/98/73/389269873.db2.gz XDQGOCBSOOWIQY-ZDUSSCGKSA-N 1 2 293.342 0.846 40 0 CCABLO CC(C)[N@H+]1CCN(C(=O)c2ccc(F)cc2)C[C@H]1C(N)=O ZINC000257327976 389269874 /nfs/dbraw/zinc/26/98/74/389269874.db2.gz XDQGOCBSOOWIQY-ZDUSSCGKSA-N 1 2 293.342 0.846 40 0 CCABLO CCOC(=O)N[C@H]1CS(=O)(=O)C[C@H]1[NH+]1CCCCC1 ZINC000217359551 285833406 /nfs/dbraw/zinc/83/34/06/285833406.db2.gz DCAKIWRRWIMBKS-WDEREUQCSA-N 1 2 290.385 0.384 40 0 CCABLO CC[NH+]1CCN(S(=O)(=O)c2cnn(C(C)C)c2)CC1 ZINC000072239277 176347261 /nfs/dbraw/zinc/34/72/61/176347261.db2.gz ASMRWVCEWQMHMG-UHFFFAOYSA-N 1 2 286.401 0.790 40 0 CCABLO Cc1nc(N2CCC[C@@H]2CCNS(C)(=O)=O)cc[nH+]1 ZINC000072369093 176383542 /nfs/dbraw/zinc/38/35/42/176383542.db2.gz MOWPDVPLQFYONY-LLVKDONJSA-N 1 2 284.385 0.693 40 0 CCABLO CN(C)c1cccc(C[C@H]2COCC[N@H+](CC(=O)[O-])C2)[nH+]1 ZINC000072388157 176393198 /nfs/dbraw/zinc/39/31/98/176393198.db2.gz YJLMDWGUWFEWML-GFCCVEGCSA-N 1 2 293.367 0.723 40 0 CCABLO CN(C)c1cccc(C[C@H]2COCC[N@@H+](CC(=O)[O-])C2)[nH+]1 ZINC000072388157 176393200 /nfs/dbraw/zinc/39/32/00/176393200.db2.gz YJLMDWGUWFEWML-GFCCVEGCSA-N 1 2 293.367 0.723 40 0 CCABLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)cn3)C[C@@H]21 ZINC000108528632 276393486 /nfs/dbraw/zinc/39/34/86/276393486.db2.gz UHMJACVTSQGQEE-STQMWFEESA-N 1 2 278.356 0.355 40 0 CCABLO CC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)cn3)C[C@@H]21 ZINC000108528632 276393488 /nfs/dbraw/zinc/39/34/88/276393488.db2.gz UHMJACVTSQGQEE-STQMWFEESA-N 1 2 278.356 0.355 40 0 CCABLO CC(C)C(=O)N[C@@H]1C[C@H]2Oc3ccc[nH+]c3N[C@H]2[C@@H]1O ZINC000257208221 277334487 /nfs/dbraw/zinc/33/44/87/277334487.db2.gz BLEZPGSTTACYMQ-HJQYOEGKSA-N 1 2 277.324 0.529 40 0 CCABLO COCC(=O)N1CCn2c(Cn3cncn3)c[nH+]c2[C@H]1C ZINC000096062118 185083085 /nfs/dbraw/zinc/08/30/85/185083085.db2.gz RFOQPLBEGSLISW-SNVBAGLBSA-N 1 2 290.327 0.073 40 0 CCABLO COC[C@@H]1C[N@H+](Cc2cnn(C)c2)Cc2ncn(C)c21 ZINC000096068368 185085308 /nfs/dbraw/zinc/08/53/08/185085308.db2.gz OXUZBWRGSWIHHB-LBPRGKRZSA-N 1 2 275.356 0.899 40 0 CCABLO COC[C@@H]1C[N@@H+](Cc2cnn(C)c2)Cc2ncn(C)c21 ZINC000096068368 185085310 /nfs/dbraw/zinc/08/53/10/185085310.db2.gz OXUZBWRGSWIHHB-LBPRGKRZSA-N 1 2 275.356 0.899 40 0 CCABLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@]2(C)C(=O)N(C)C)no1 ZINC000019746765 348069247 /nfs/dbraw/zinc/06/92/47/348069247.db2.gz VZFPMQMKFSNVDM-AWEZNQCLSA-N 1 2 294.355 0.864 40 0 CCABLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@]2(C)C(=O)N(C)C)no1 ZINC000019746765 348069250 /nfs/dbraw/zinc/06/92/50/348069250.db2.gz VZFPMQMKFSNVDM-AWEZNQCLSA-N 1 2 294.355 0.864 40 0 CCABLO Cc1ncc(C(=O)NCC[NH+]2CCOCC2)c(C)n1 ZINC000019937135 348073935 /nfs/dbraw/zinc/07/39/35/348073935.db2.gz LAXGAVFIDXWBAU-UHFFFAOYSA-N 1 2 264.329 0.155 40 0 CCABLO O=C1CNC(=O)N1Cc1ccccc1Cn1cc[nH+]c1 ZINC000348019818 137369027 /nfs/dbraw/zinc/36/90/27/137369027.db2.gz LQDCYLLMGNFPPS-UHFFFAOYSA-N 1 2 270.292 0.983 40 0 CCABLO CCOC(=O)C[N@@H+]1[C@H]2C[C@H](O)C[C@@H]1C[C@@H](C(=O)OCC)C2 ZINC000245224409 352317014 /nfs/dbraw/zinc/31/70/14/352317014.db2.gz WCDRGGYHUBTALP-WNGYAQOMSA-N 1 2 299.367 0.717 40 0 CCABLO CCOC(=O)C[N@H+]1[C@H]2C[C@H](O)C[C@@H]1C[C@@H](C(=O)OCC)C2 ZINC000245224409 352317017 /nfs/dbraw/zinc/31/70/17/352317017.db2.gz WCDRGGYHUBTALP-WNGYAQOMSA-N 1 2 299.367 0.717 40 0 CCABLO CCNc1cc(-c2ccncc2)[nH+]c(N[C@@H](C)CO)n1 ZINC000328984876 202140241 /nfs/dbraw/zinc/14/02/41/202140241.db2.gz HPUQMIQHSWXANF-JTQLQIEISA-N 1 2 273.340 0.607 40 0 CCABLO Cn1c[nH+]c2c1C[C@@H](CO)N(C(=O)[C@@H]1CCCS1)C2 ZINC000585094694 359246182 /nfs/dbraw/zinc/24/61/82/359246182.db2.gz HUVCRLBIEIZKMM-CABZTGNLSA-N 1 2 281.381 0.561 40 0 CCABLO CNC(=O)[C@@H]1CN(C(=O)C(C)C)Cc2c[nH+]cn21 ZINC000585095954 359248070 /nfs/dbraw/zinc/24/80/70/359248070.db2.gz GUAQGMNCTIXJJI-JTQLQIEISA-N 1 2 250.302 0.168 40 0 CCABLO COc1ccc([C@@H]2CN(CC(N)=O)CC[N@@H+]2C)cc1 ZINC000257200615 190011067 /nfs/dbraw/zinc/01/10/67/190011067.db2.gz AEBOKBAXSNOVEF-ZDUSSCGKSA-N 1 2 263.341 0.469 40 0 CCABLO COc1ccc([C@@H]2CN(CC(N)=O)CC[N@H+]2C)cc1 ZINC000257200615 190011068 /nfs/dbraw/zinc/01/10/68/190011068.db2.gz AEBOKBAXSNOVEF-ZDUSSCGKSA-N 1 2 263.341 0.469 40 0 CCABLO Cc1cnn(CC(=O)N2CCOC[C@@H]2c2[nH]cc(C)[nH+]2)c1 ZINC000257314034 190031940 /nfs/dbraw/zinc/03/19/40/190031940.db2.gz UVCADBVKJRTOPC-GFCCVEGCSA-N 1 2 289.339 0.823 40 0 CCABLO Cc1c[nH]c([C@H]2COCCN2CC2(O)CCOCC2)[nH+]1 ZINC000257342838 190037530 /nfs/dbraw/zinc/03/75/30/190037530.db2.gz ZQIMDYKYFKGRCT-GFCCVEGCSA-N 1 2 281.356 0.633 40 0 CCABLO CCO/C(C=C(C(=O)OC)C(=O)OC)=C/[NH+](C)C ZINC000019867654 256798974 /nfs/dbraw/zinc/79/89/74/256798974.db2.gz KYJAOTPWBHVQJP-CMDGGOBGSA-N 1 2 257.286 0.698 40 0 CCABLO COC(=O)[C@H]1C[N@H+](CCO)CCN1C(=O)OC(C)(C)C ZINC000079419838 388996741 /nfs/dbraw/zinc/99/67/41/388996741.db2.gz GNMNJWHYZOMVRS-SNVBAGLBSA-N 1 2 288.344 0.073 40 0 CCABLO COC(=O)[C@H]1C[N@@H+](CCO)CCN1C(=O)OC(C)(C)C ZINC000079419838 388996745 /nfs/dbraw/zinc/99/67/45/388996745.db2.gz GNMNJWHYZOMVRS-SNVBAGLBSA-N 1 2 288.344 0.073 40 0 CCABLO CS(=O)(=O)N1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000057557377 175598898 /nfs/dbraw/zinc/59/88/98/175598898.db2.gz LZIYUGFBSGFVIP-UHFFFAOYSA-N 1 2 269.370 0.346 40 0 CCABLO COc1ccccc1[C@H]1CN(CC(N)=O)CC[N@@H+]1C ZINC000072366601 176381587 /nfs/dbraw/zinc/38/15/87/176381587.db2.gz UXMXHOPYDQYYAB-GFCCVEGCSA-N 1 2 263.341 0.469 40 0 CCABLO COc1ccccc1[C@H]1CN(CC(N)=O)CC[N@H+]1C ZINC000072366601 176381588 /nfs/dbraw/zinc/38/15/88/176381588.db2.gz UXMXHOPYDQYYAB-GFCCVEGCSA-N 1 2 263.341 0.469 40 0 CCABLO CN(C)C(=O)CCc1cncc([C@H]2C[N@H+](C)CCO2)n1 ZINC000072379106 176386083 /nfs/dbraw/zinc/38/60/83/176386083.db2.gz RDZGQXKITYUQLK-CYBMUJFWSA-N 1 2 278.356 0.501 40 0 CCABLO CN(C)C(=O)CCc1cncc([C@H]2C[N@@H+](C)CCO2)n1 ZINC000072379106 176386084 /nfs/dbraw/zinc/38/60/84/176386084.db2.gz RDZGQXKITYUQLK-CYBMUJFWSA-N 1 2 278.356 0.501 40 0 CCABLO Cc1cn[nH]c1[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000072385899 176391161 /nfs/dbraw/zinc/39/11/61/176391161.db2.gz QKDZWNNQMMAZMR-CYBMUJFWSA-N 1 2 292.383 0.756 40 0 CCABLO Cc1c[nH]nc1[C@@H]1COCC[N@@H+]1CC1(O)CCOCC1 ZINC000257258430 302329306 /nfs/dbraw/zinc/32/93/06/302329306.db2.gz KTURXALZNJKUEJ-LBPRGKRZSA-N 1 2 281.356 0.633 40 0 CCABLO Cc1c[nH]nc1[C@@H]1COCC[N@H+]1CC1(O)CCOCC1 ZINC000257258430 302329309 /nfs/dbraw/zinc/32/93/09/302329309.db2.gz KTURXALZNJKUEJ-LBPRGKRZSA-N 1 2 281.356 0.633 40 0 CCABLO O=C(c1ccoc1)N1CCn2c(Cn3cncn3)c[nH+]c2C1 ZINC000096087573 185094029 /nfs/dbraw/zinc/09/40/29/185094029.db2.gz KTBFOWKYOUHZOO-UHFFFAOYSA-N 1 2 298.306 0.772 40 0 CCABLO Cc1cc2[nH+]cn([C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2cc1C ZINC000003869399 347986133 /nfs/dbraw/zinc/98/61/33/347986133.db2.gz HLRUKOJSWOKCPP-DGAVXFQQSA-N 1 2 278.308 0.265 40 0 CCABLO O=C(NCC[NH+]1CCOCC1)[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000019720758 348068033 /nfs/dbraw/zinc/06/80/33/348068033.db2.gz QAQUNHWXVGVPDJ-XQQFMLRXSA-N 1 2 252.358 0.871 40 0 CCABLO Cc1nc2n(n1)CCN(C(=O)C[NH+]1Cc3ccccc3C1)C2 ZINC000019286769 348058858 /nfs/dbraw/zinc/05/88/58/348058858.db2.gz NNOUYPDIIJSKMM-UHFFFAOYSA-N 1 2 297.362 0.945 40 0 CCABLO Cc1cc([NH3+])ccc1N1CCN(S(C)(=O)=O)CC1 ZINC000062084227 348662727 /nfs/dbraw/zinc/66/27/27/348662727.db2.gz KIAASAVDAMFWRW-UHFFFAOYSA-N 1 2 269.370 0.659 40 0 CCABLO CCOC(=O)[C@H]1C(=O)[C@@H](C(=O)OCC)[C@H](C)[N@@H+](C)[C@@H]1C ZINC000255004040 352539931 /nfs/dbraw/zinc/53/99/31/352539931.db2.gz LAYGCYSGPGGRFL-DTIDVZRVSA-N 1 2 285.340 0.637 40 0 CCABLO CCOC(=O)[C@H]1C(=O)[C@@H](C(=O)OCC)[C@H](C)[N@H+](C)[C@@H]1C ZINC000255004040 352539935 /nfs/dbraw/zinc/53/99/35/352539935.db2.gz LAYGCYSGPGGRFL-DTIDVZRVSA-N 1 2 285.340 0.637 40 0 CCABLO CCC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCCCC1 ZINC000217347973 351947063 /nfs/dbraw/zinc/94/70/63/351947063.db2.gz WAMNHAKKTLYHNX-MNOVXSKESA-N 1 2 274.386 0.164 40 0 CCABLO CNC(=O)c1cc(N)ccc1NCC[NH+]1CCOCC1 ZINC000225497242 352007389 /nfs/dbraw/zinc/00/73/89/352007389.db2.gz JRIIWROYMADGNR-UHFFFAOYSA-N 1 2 278.356 0.373 40 0 CCABLO CS(=O)(=O)NC[C@@H]1C[N@H+](CC2CCC2)Cc2cncn21 ZINC000247533681 352419337 /nfs/dbraw/zinc/41/93/37/352419337.db2.gz PRVOFRHTRHWOSY-CYBMUJFWSA-N 1 2 298.412 0.589 40 0 CCABLO CS(=O)(=O)NC[C@@H]1C[N@@H+](CC2CCC2)Cc2cncn21 ZINC000247533681 352419341 /nfs/dbraw/zinc/41/93/41/352419341.db2.gz PRVOFRHTRHWOSY-CYBMUJFWSA-N 1 2 298.412 0.589 40 0 CCABLO CS(=O)(=O)NC[C@@H]1CN(CC2CCC2)Cc2c[nH+]cn21 ZINC000247533681 352419344 /nfs/dbraw/zinc/41/93/44/352419344.db2.gz PRVOFRHTRHWOSY-CYBMUJFWSA-N 1 2 298.412 0.589 40 0 CCABLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccncc3F)C[C@@H]21 ZINC000108526483 283028526 /nfs/dbraw/zinc/02/85/26/283028526.db2.gz FTCHCWGWZKKLTP-STQMWFEESA-N 1 2 279.315 0.766 40 0 CCABLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccncc3F)C[C@@H]21 ZINC000108526483 283028527 /nfs/dbraw/zinc/02/85/27/283028527.db2.gz FTCHCWGWZKKLTP-STQMWFEESA-N 1 2 279.315 0.766 40 0 CCABLO CNC(=O)C[C@@]1(COC)C[N@H+](Cc2ccncc2)CCO1 ZINC000585277803 359259312 /nfs/dbraw/zinc/25/93/12/359259312.db2.gz YBZQTLXUHJMZHL-HNNXBMFYSA-N 1 2 293.367 0.435 40 0 CCABLO CNC(=O)C[C@@]1(COC)C[N@@H+](Cc2ccncc2)CCO1 ZINC000585277803 359259315 /nfs/dbraw/zinc/25/93/15/359259315.db2.gz YBZQTLXUHJMZHL-HNNXBMFYSA-N 1 2 293.367 0.435 40 0 CCABLO C[N@H+]1Cc2ccnn2[C@@H](CCNS(=O)(=O)C2CC2)C1 ZINC000585112173 359249836 /nfs/dbraw/zinc/24/98/36/359249836.db2.gz KIEOMLGYWPFQBX-NSHDSACASA-N 1 2 284.385 0.342 40 0 CCABLO C[N@@H+]1Cc2ccnn2[C@@H](CCNS(=O)(=O)C2CC2)C1 ZINC000585112173 359249844 /nfs/dbraw/zinc/24/98/44/359249844.db2.gz KIEOMLGYWPFQBX-NSHDSACASA-N 1 2 284.385 0.342 40 0 CCABLO CNC(=O)CC[C@]1(OC)CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000585275240 359256472 /nfs/dbraw/zinc/25/64/72/359256472.db2.gz AXHIOWKSSWFPAT-CQSZACIVSA-N 1 2 280.372 0.917 40 0 CCABLO CNC(=O)CC[C@]1(OC)CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000585275240 359256476 /nfs/dbraw/zinc/25/64/76/359256476.db2.gz AXHIOWKSSWFPAT-CQSZACIVSA-N 1 2 280.372 0.917 40 0 CCABLO CNC(=O)CC[C@]1(O)CCC[N@H+](Cc2nccn2C)C1 ZINC000585277436 359259965 /nfs/dbraw/zinc/25/99/65/359259965.db2.gz WNPPSNICMYEAPT-CQSZACIVSA-N 1 2 280.372 0.273 40 0 CCABLO CNC(=O)CC[C@]1(O)CCC[N@@H+](Cc2nccn2C)C1 ZINC000585277436 359259969 /nfs/dbraw/zinc/25/99/69/359259969.db2.gz WNPPSNICMYEAPT-CQSZACIVSA-N 1 2 280.372 0.273 40 0 CCABLO CO[C@@H]1CC[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)[C@H]1O ZINC000585291258 359263676 /nfs/dbraw/zinc/26/36/76/359263676.db2.gz NZRLSUCJNSATPN-LBLPNFBJSA-N 1 2 251.286 0.077 40 0 CCABLO Cc1nc([C@@H]2COCCN2Cc2c[nH+]c[nH]2)cc(=O)[nH]1 ZINC000257230870 190015919 /nfs/dbraw/zinc/01/59/19/190015919.db2.gz GEGIBIWGKZOLHT-LBPRGKRZSA-N 1 2 275.312 0.787 40 0 CCABLO Cc1nc([C@@H]2COCCN2Cc2c[nH]c[nH+]2)cc(=O)[nH]1 ZINC000257230870 190015920 /nfs/dbraw/zinc/01/59/20/190015920.db2.gz GEGIBIWGKZOLHT-LBPRGKRZSA-N 1 2 275.312 0.787 40 0 CCABLO O=C(C[N@@H+]1CCC[C@H](Cc2ccn[nH]2)C1)N1CCOCC1 ZINC000257237597 190017486 /nfs/dbraw/zinc/01/74/86/190017486.db2.gz HHEPOCDNLVIJJL-CYBMUJFWSA-N 1 2 292.383 0.523 40 0 CCABLO O=C(C[N@H+]1CCC[C@H](Cc2ccn[nH]2)C1)N1CCOCC1 ZINC000257237597 190017487 /nfs/dbraw/zinc/01/74/87/190017487.db2.gz HHEPOCDNLVIJJL-CYBMUJFWSA-N 1 2 292.383 0.523 40 0 CCABLO O=C(N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O)c1ccncn1 ZINC000257284185 190026447 /nfs/dbraw/zinc/02/64/47/190026447.db2.gz PBOUFGBPPYNYTF-RAIGVLPGSA-N 1 2 287.323 0.558 40 0 CCABLO CC(=O)N[C@H]1CC[N@H+](Cc2cscn2)CC[C@@H]1O ZINC000257342052 190036874 /nfs/dbraw/zinc/03/68/74/190036874.db2.gz ZMWHXIFSGXGOGP-RYUDHWBXSA-N 1 2 269.370 0.605 40 0 CCABLO CC(=O)N[C@H]1CC[N@@H+](Cc2cscn2)CC[C@@H]1O ZINC000257342052 190036875 /nfs/dbraw/zinc/03/68/75/190036875.db2.gz ZMWHXIFSGXGOGP-RYUDHWBXSA-N 1 2 269.370 0.605 40 0 CCABLO C[NH+]1CCN(S(=O)(=O)c2c[nH]ccc2=S)CC1 ZINC000072210667 388960836 /nfs/dbraw/zinc/96/08/36/388960836.db2.gz WAPCVLKCNQRBNF-UHFFFAOYSA-N 1 2 273.383 0.306 40 0 CCABLO CC(C)[N@@H+]1CCN(C(=O)c2cncs2)[C@H](C(N)=O)C1 ZINC000072368431 388961284 /nfs/dbraw/zinc/96/12/84/388961284.db2.gz DLKVBNSDYHOIDF-VIFPVBQESA-N 1 2 282.369 0.163 40 0 CCABLO CC(C)[N@H+]1CCN(C(=O)c2cncs2)[C@H](C(N)=O)C1 ZINC000072368431 388961291 /nfs/dbraw/zinc/96/12/91/388961291.db2.gz DLKVBNSDYHOIDF-VIFPVBQESA-N 1 2 282.369 0.163 40 0 CCABLO Cc1ncsc1C[N@@H+]1CCO[C@](C)(C(N)=O)C1 ZINC000205681705 389130339 /nfs/dbraw/zinc/13/03/39/389130339.db2.gz BSXXYDDXZNLBCI-NSHDSACASA-N 1 2 255.343 0.528 40 0 CCABLO Cc1ncsc1C[N@H+]1CCO[C@](C)(C(N)=O)C1 ZINC000205681705 389130340 /nfs/dbraw/zinc/13/03/40/389130340.db2.gz BSXXYDDXZNLBCI-NSHDSACASA-N 1 2 255.343 0.528 40 0 CCABLO C[C@@H](CNC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)n1cncn1 ZINC000253375412 389267316 /nfs/dbraw/zinc/26/73/16/389267316.db2.gz PSDPGBXDKBJBDA-SDDRHHMPSA-N 1 2 281.360 0.065 40 0 CCABLO C[C@@H](CNC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)n1cncn1 ZINC000253375412 389267317 /nfs/dbraw/zinc/26/73/17/389267317.db2.gz PSDPGBXDKBJBDA-SDDRHHMPSA-N 1 2 281.360 0.065 40 0 CCABLO CC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000020347346 171154444 /nfs/dbraw/zinc/15/44/44/171154444.db2.gz SSSRBUFYSWCOQT-AWEZNQCLSA-N 1 2 279.336 0.961 40 0 aggregator CCABLO Clc1ncnc2c1ncn2CC[NH+]1CCOCC1 ZINC000038580000 174148051 /nfs/dbraw/zinc/14/80/51/174148051.db2.gz HFALQBLJCOFGED-UHFFFAOYSA-N 1 2 267.720 0.812 40 0 CCABLO Cc1cn[nH]c1C1CCN(C(=O)C[NH+](C)C)CC1 ZINC000072357381 176376361 /nfs/dbraw/zinc/37/63/61/176376361.db2.gz WTOQZYXNCOKXIK-UHFFFAOYSA-N 1 2 250.346 0.986 40 0 CCABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cnc[nH]c2=O)[nH+]1 ZINC000257260373 301025252 /nfs/dbraw/zinc/02/52/52/301025252.db2.gz LCOIGGZFZZWNPB-SNVBAGLBSA-N 1 2 289.295 0.427 40 0 CCABLO Cc1cn[nH]c1[C@@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC000257254562 302329665 /nfs/dbraw/zinc/32/96/65/302329665.db2.gz KDQMUHPMXKIVPZ-LBPRGKRZSA-N 1 2 278.356 0.714 40 0 CCABLO OCCN1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000022036892 527554235 /nfs/dbraw/zinc/55/42/35/527554235.db2.gz HIISXUTWLOGXFH-CQSZACIVSA-N 1 2 298.358 0.175 40 0 CCABLO Cc1ccc([C@H]([NH3+])c2nnc(Cn3cncn3)[nH]2)cc1 ZINC000095534114 185006702 /nfs/dbraw/zinc/00/67/02/185006702.db2.gz LKMAZECZIYHXCW-LBPRGKRZSA-N 1 2 269.312 0.801 40 0 CCABLO c1ncn(Cc2cnc3n2CC[N@@H+](Cc2ccncc2)C3)n1 ZINC000096061919 185082985 /nfs/dbraw/zinc/08/29/85/185082985.db2.gz OKSKTIURJPPSMW-UHFFFAOYSA-N 1 2 295.350 0.934 40 0 CCABLO c1ncn(Cc2cnc3n2CC[N@H+](Cc2ccncc2)C3)n1 ZINC000096061919 185082986 /nfs/dbraw/zinc/08/29/86/185082986.db2.gz OKSKTIURJPPSMW-UHFFFAOYSA-N 1 2 295.350 0.934 40 0 CCABLO CNc1ncccc1C[N@@H+]1CCO[C@](C)(C(N)=O)C1 ZINC000019746897 348069328 /nfs/dbraw/zinc/06/93/28/348069328.db2.gz WYTVITOEELSPDK-ZDUSSCGKSA-N 1 2 264.329 0.200 40 0 CCABLO CNc1ncccc1C[N@H+]1CCO[C@](C)(C(N)=O)C1 ZINC000019746897 348069329 /nfs/dbraw/zinc/06/93/29/348069329.db2.gz WYTVITOEELSPDK-ZDUSSCGKSA-N 1 2 264.329 0.200 40 0 CCABLO CCN(CC)C(=O)C[NH+]1CCN(c2ncccn2)CC1 ZINC000057711489 348614644 /nfs/dbraw/zinc/61/46/44/348614644.db2.gz WSXHFOXHJLRMHI-UHFFFAOYSA-N 1 2 277.372 0.467 40 0 CCABLO C[NH+]1CCN(C(=O)c2cnc3ccccc3c2O)CC1 ZINC000070286502 348882854 /nfs/dbraw/zinc/88/28/54/348882854.db2.gz MJYFKZWKNVRTBN-UHFFFAOYSA-N 1 2 271.320 0.916 40 0 CCABLO CS(=O)(=O)NCC[C@@H]1C[N@H+](CC2CC2)Cc2cncn21 ZINC000247551636 352420207 /nfs/dbraw/zinc/42/02/07/352420207.db2.gz WBAIKEMEKKQEQG-GFCCVEGCSA-N 1 2 298.412 0.589 40 0 CCABLO CS(=O)(=O)NCC[C@@H]1C[N@@H+](CC2CC2)Cc2cncn21 ZINC000247551636 352420209 /nfs/dbraw/zinc/42/02/09/352420209.db2.gz WBAIKEMEKKQEQG-GFCCVEGCSA-N 1 2 298.412 0.589 40 0 CCABLO CS(=O)(=O)NCC[C@@H]1CN(CC2CC2)Cc2c[nH+]cn21 ZINC000247551636 352420213 /nfs/dbraw/zinc/42/02/13/352420213.db2.gz WBAIKEMEKKQEQG-GFCCVEGCSA-N 1 2 298.412 0.589 40 0 CCABLO CCn1cc(CN2Cc3[nH+]cn(C)c3C[C@H]2CO)cn1 ZINC000585094546 359246295 /nfs/dbraw/zinc/24/62/95/359246295.db2.gz AQJWOSOMLOEIHD-LBPRGKRZSA-N 1 2 275.356 0.556 40 0 CCABLO Cc1cncc(C(=O)N2Cc3[nH+]cn(C)c3C[C@@H]2CO)c1 ZINC000585094591 359246371 /nfs/dbraw/zinc/24/63/71/359246371.db2.gz DDPNYIXKABIMEJ-GFCCVEGCSA-N 1 2 286.335 0.683 40 0 CCABLO O=C(CCC1CCCC1)N1C[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257218488 190013722 /nfs/dbraw/zinc/01/37/22/190013722.db2.gz DDIAYRQOOYNZBS-HUUCEWRRSA-N 1 2 296.411 0.861 40 0 CCABLO CNc1nccnc1[C@@H]1CN(Cc2[nH+]ccn2C)CCO1 ZINC000257259460 190021661 /nfs/dbraw/zinc/02/16/61/190021661.db2.gz KYMNXGHXGPDLDK-NSHDSACASA-N 1 2 288.355 0.825 40 0 CCABLO CNc1nccnc1[C@@H]1CN(Cc2cn(C)c[nH+]2)CCO1 ZINC000257316933 190032760 /nfs/dbraw/zinc/03/27/60/190032760.db2.gz VHPRFYFZCKRUIL-LBPRGKRZSA-N 1 2 288.355 0.825 40 0 CCABLO COC[C@@H]1Cn2cc[nH+]c2CN(S(=O)(=O)C2CC2)C1 ZINC000096059107 285312901 /nfs/dbraw/zinc/31/29/01/285312901.db2.gz RJHJCESXHGNLFQ-SNVBAGLBSA-N 1 2 285.369 0.454 40 0 CCABLO COC[C@@H]1Cn2cc[nH+]c2CN(C(=O)C2CCOCC2)C1 ZINC000096059111 285312926 /nfs/dbraw/zinc/31/29/26/285312926.db2.gz VTAVCGXTDAQLIW-GFCCVEGCSA-N 1 2 293.367 0.915 40 0 CCABLO CCCS(=O)(=O)N1Cc2c[nH+]cn2C[C@H](COC)C1 ZINC000096207452 389052624 /nfs/dbraw/zinc/05/26/24/389052624.db2.gz DJDCKKYLEASHCG-NSHDSACASA-N 1 2 287.385 0.701 40 0 CCABLO CO[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@]12CCCO2 ZINC000257295661 286048119 /nfs/dbraw/zinc/04/81/19/286048119.db2.gz QZIHKOXGPDVISP-JSGCOSHPSA-N 1 2 279.340 0.680 40 0 CCABLO COc1ccc(Cc2nc(N)nc(N)[nH+]2)cc1OC ZINC000005676201 170127135 /nfs/dbraw/zinc/12/71/35/170127135.db2.gz KWGCUCVJBAUYCM-UHFFFAOYSA-N 1 2 261.285 0.644 40 0 CCABLO O=C(OCc1ccccc1)N1CC[NH+](CCO)CC1 ZINC000035118294 171988496 /nfs/dbraw/zinc/98/84/96/171988496.db2.gz WITCLTOOIPMTGJ-UHFFFAOYSA-N 1 2 264.325 0.933 40 0 CCABLO Nc1ccc(C(=O)OCC[NH+]2CCOCC2)cc1 ZINC000035183266 172037015 /nfs/dbraw/zinc/03/70/15/172037015.db2.gz CQHHUPIRHGIDDU-UHFFFAOYSA-N 1 2 250.298 0.758 40 0 CCABLO COC[C@H]1Cn2cc[nH+]c2CN(S(=O)(=O)C2CC2)C1 ZINC000096059108 293240907 /nfs/dbraw/zinc/24/09/07/293240907.db2.gz RJHJCESXHGNLFQ-JTQLQIEISA-N 1 2 285.369 0.454 40 0 CCABLO CS(=O)(=O)N1Cc2[nH+]ccn2C[C@H](Cn2cccn2)C1 ZINC000096067074 349616674 /nfs/dbraw/zinc/61/66/74/349616674.db2.gz OOGFIQBVMRHPCK-LLVKDONJSA-N 1 2 295.368 0.171 40 0 CCABLO C/C=C/C(=O)OCC[NH+]1CCN(C(=O)/C=C\C)CC1 ZINC000017300813 348053995 /nfs/dbraw/zinc/05/39/95/348053995.db2.gz IQWHNNBAGUABQB-CIIODKQPSA-N 1 2 266.341 0.826 40 0 CCABLO Cc1nn(-c2ccccc2)nc1C(=O)N1CC[NH+](C)CC1 ZINC000050079766 348466164 /nfs/dbraw/zinc/46/61/64/348466164.db2.gz YVDKBAATFWBCMC-UHFFFAOYSA-N 1 2 285.351 0.963 40 0 CCABLO Cc1cc(C[N@@H+]2Cc3ccnn3CC[C@H]2CO)[nH]n1 ZINC000585097379 359247363 /nfs/dbraw/zinc/24/73/63/359247363.db2.gz KMVKVXIUBTWHAI-ZDUSSCGKSA-N 1 2 261.329 0.681 40 0 CCABLO Cc1cc(C[N@H+]2Cc3ccnn3CC[C@H]2CO)[nH]n1 ZINC000585097379 359247367 /nfs/dbraw/zinc/24/73/67/359247367.db2.gz KMVKVXIUBTWHAI-ZDUSSCGKSA-N 1 2 261.329 0.681 40 0 CCABLO CS(=O)(=O)NCC[C@H]1C[N@H+](CC2CC2)Cc2ccnn21 ZINC000585112230 359250408 /nfs/dbraw/zinc/25/04/08/359250408.db2.gz LPAMCQAAPATVRV-ZDUSSCGKSA-N 1 2 298.412 0.589 40 0 CCABLO CS(=O)(=O)NCC[C@H]1C[N@@H+](CC2CC2)Cc2ccnn21 ZINC000585112230 359250414 /nfs/dbraw/zinc/25/04/14/359250414.db2.gz LPAMCQAAPATVRV-ZDUSSCGKSA-N 1 2 298.412 0.589 40 0 CCABLO Cc1nc([C@H]2COCCN2Cc2c[nH+]c[nH]2)cc(=O)[nH]1 ZINC000257230869 190016006 /nfs/dbraw/zinc/01/60/06/190016006.db2.gz GEGIBIWGKZOLHT-GFCCVEGCSA-N 1 2 275.312 0.787 40 0 CCABLO Cc1nc([C@H]2COCCN2Cc2c[nH]c[nH+]2)cc(=O)[nH]1 ZINC000257230869 190016007 /nfs/dbraw/zinc/01/60/07/190016007.db2.gz GEGIBIWGKZOLHT-GFCCVEGCSA-N 1 2 275.312 0.787 40 0 CCABLO Cc1nc([C@H]2CN(Cc3[nH+]ccn3C)CCO2)cc(=O)[nH]1 ZINC000257219314 190014191 /nfs/dbraw/zinc/01/41/91/190014191.db2.gz DGJQROMQBAAXHQ-GFCCVEGCSA-N 1 2 289.339 0.798 40 0 CCABLO Cn1ccnc1C[N@@H+]1CCOC[C@@H](Cc2cncnc2)C1 ZINC000257274301 190024409 /nfs/dbraw/zinc/02/44/09/190024409.db2.gz NKKSCLZIJVIHCO-AWEZNQCLSA-N 1 2 287.367 0.901 40 0 CCABLO Cn1ccnc1C[N@H+]1CCOC[C@@H](Cc2cncnc2)C1 ZINC000257274301 190024410 /nfs/dbraw/zinc/02/44/10/190024410.db2.gz NKKSCLZIJVIHCO-AWEZNQCLSA-N 1 2 287.367 0.901 40 0 CCABLO Cc1c[nH]c([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)[nH+]1 ZINC000257299110 190029688 /nfs/dbraw/zinc/02/96/88/190029688.db2.gz ROTSFTYUJRQDGB-SNVBAGLBSA-N 1 2 295.368 0.977 40 0 CCABLO O=C(Cn1cc[nH+]c1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257336717 190036387 /nfs/dbraw/zinc/03/63/87/190036387.db2.gz YPSFPUPJQIJLGZ-ZIAGYGMSSA-N 1 2 287.319 0.534 40 0 CCABLO NC(=O)c1cc(N)ccc1NCC[NH+]1CCOCC1 ZINC000041081887 388860442 /nfs/dbraw/zinc/86/04/42/388860442.db2.gz RZUSKFZQEMMUEA-UHFFFAOYSA-N 1 2 264.329 0.112 40 0 CCABLO CNC(=O)[C@@]1(C)CN(c2cc[nH+]c(C)n2)CCO1 ZINC000072379709 388961792 /nfs/dbraw/zinc/96/17/92/388961792.db2.gz IRHWUQQLJOIGGX-GFCCVEGCSA-N 1 2 250.302 0.126 40 0 CCABLO CN(C)C(=O)c1[nH]nc2c1CN(Cc1[nH+]ccn1C)CC2 ZINC000096187376 389048475 /nfs/dbraw/zinc/04/84/75/389048475.db2.gz XKJGQZDIOISSTP-UHFFFAOYSA-N 1 2 288.355 0.403 40 0 CCABLO CC[N@H+](Cc1cccc(F)c1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000575421485 390839617 /nfs/dbraw/zinc/83/96/17/390839617.db2.gz QTUWFFYXNMDKJI-CHWSQXEVSA-N 1 2 287.356 0.806 40 0 CCABLO CC[N@@H+](Cc1cccc(F)c1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000575421485 390839619 /nfs/dbraw/zinc/83/96/19/390839619.db2.gz QTUWFFYXNMDKJI-CHWSQXEVSA-N 1 2 287.356 0.806 40 0 CCABLO O=Cc1ccccc1OCCN1CC[NH+](CCO)CC1 ZINC000020131605 171020086 /nfs/dbraw/zinc/02/00/86/171020086.db2.gz MYIGLPMTIIFATB-UHFFFAOYSA-N 1 2 278.352 0.488 40 0 CCABLO O=Cc1ccccc1OCC[NH+]1CCN(CCO)CC1 ZINC000020131605 171020087 /nfs/dbraw/zinc/02/00/87/171020087.db2.gz MYIGLPMTIIFATB-UHFFFAOYSA-N 1 2 278.352 0.488 40 0 CCABLO CC(=O)Nc1nnc(CC[NH+]2CCOCC2)s1 ZINC000022145458 171356483 /nfs/dbraw/zinc/35/64/83/171356483.db2.gz HNJIQDVJDWDTKY-UHFFFAOYSA-N 1 2 256.331 0.371 40 0 CCABLO CC(=O)N1CCN(c2cc(C)[nH+]cn2)C[C@@H](CO)C1 ZINC000072376709 176385087 /nfs/dbraw/zinc/38/50/87/176385087.db2.gz MONDMDYPMGDPQY-LBPRGKRZSA-N 1 2 264.329 0.062 40 0 CCABLO CC(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NC2CC(F)(F)C2)C1 ZINC000306138368 201842740 /nfs/dbraw/zinc/84/27/40/201842740.db2.gz RVXYTYCBDHVJDJ-NSHDSACASA-N 1 2 298.293 0.700 40 0 CCABLO O=c1[nH]c(C[N@H+]2CCC[C@@H](O)C2)nc2ccccc21 ZINC000019375860 348060795 /nfs/dbraw/zinc/06/07/95/348060795.db2.gz JMVAPRGFYZAKJC-SNVBAGLBSA-N 1 2 259.309 0.880 40 0 CCABLO O=c1[nH]c(C[N@@H+]2CCC[C@@H](O)C2)nc2ccccc21 ZINC000019375860 348060799 /nfs/dbraw/zinc/06/07/99/348060799.db2.gz JMVAPRGFYZAKJC-SNVBAGLBSA-N 1 2 259.309 0.880 40 0 CCABLO COc1cccc(OC[C@H]2C[N@H+](CCO)CCO2)c1 ZINC000217491631 351948378 /nfs/dbraw/zinc/94/83/78/351948378.db2.gz JILSCRZXONQFCV-CQSZACIVSA-N 1 2 267.325 0.767 40 0 CCABLO COc1cccc(OC[C@H]2C[N@@H+](CCO)CCO2)c1 ZINC000217491631 351948379 /nfs/dbraw/zinc/94/83/79/351948379.db2.gz JILSCRZXONQFCV-CQSZACIVSA-N 1 2 267.325 0.767 40 0 CCABLO CN(C)c1ncc(C[NH2+][C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cn1 ZINC000218760375 351961587 /nfs/dbraw/zinc/96/15/87/351961587.db2.gz MSQZFEJMBIPTOI-NSHDSACASA-N 1 2 290.327 0.051 40 0 CCABLO CN(C)c1ncc(C[NH2+][C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cn1 ZINC000218760375 351961590 /nfs/dbraw/zinc/96/15/90/351961590.db2.gz MSQZFEJMBIPTOI-NSHDSACASA-N 1 2 290.327 0.051 40 0 CCABLO CCc1ncc(C[NH2+][C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cn1 ZINC000218761278 351962163 /nfs/dbraw/zinc/96/21/63/351962163.db2.gz SARVWZWFGFAWES-LLVKDONJSA-N 1 2 275.312 0.548 40 0 CCABLO CCc1ncc(C[NH2+][C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cn1 ZINC000218761278 351962165 /nfs/dbraw/zinc/96/21/65/351962165.db2.gz SARVWZWFGFAWES-LLVKDONJSA-N 1 2 275.312 0.548 40 0 CCABLO CNC(=O)C[C@]1(COC)C[N@H+](Cc2ccncc2)CCO1 ZINC000585277809 359259637 /nfs/dbraw/zinc/25/96/37/359259637.db2.gz YBZQTLXUHJMZHL-OAHLLOKOSA-N 1 2 293.367 0.435 40 0 CCABLO CNC(=O)C[C@]1(COC)C[N@@H+](Cc2ccncc2)CCO1 ZINC000585277809 359259642 /nfs/dbraw/zinc/25/96/42/359259642.db2.gz YBZQTLXUHJMZHL-OAHLLOKOSA-N 1 2 293.367 0.435 40 0 CCABLO O=C(c1cccnn1)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257212463 190013220 /nfs/dbraw/zinc/01/32/20/190013220.db2.gz CDMWIAKIPDEQGY-STQMWFEESA-N 1 2 287.323 0.511 40 0 CCABLO Cc1c[nH]c([C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC000257226686 190015301 /nfs/dbraw/zinc/01/53/01/190015301.db2.gz FLRITLINZOOTEI-LLVKDONJSA-N 1 2 259.313 0.931 40 0 CCABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CCN(Cc2c[nH+]c[nH]2)C1 ZINC000257316350 190033127 /nfs/dbraw/zinc/03/31/27/190033127.db2.gz VFENRTOQLIPQNS-SECBINFHSA-N 1 2 295.368 0.526 40 0 CCABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CCN(Cc2c[nH]c[nH+]2)C1 ZINC000257316350 190033128 /nfs/dbraw/zinc/03/31/28/190033128.db2.gz VFENRTOQLIPQNS-SECBINFHSA-N 1 2 295.368 0.526 40 0 CCABLO CN(C)C(=O)[C@@H]1CN(C)CC[N@H+](CC2(O)CCCCC2)C1 ZINC000257325640 190034039 /nfs/dbraw/zinc/03/40/39/190034039.db2.gz WTUKCLGPYIPBHP-CQSZACIVSA-N 1 2 297.443 0.633 40 0 CCABLO CN(C)C(=O)[C@@H]1CN(C)CC[N@@H+](CC2(O)CCCCC2)C1 ZINC000257325640 190034040 /nfs/dbraw/zinc/03/40/40/190034040.db2.gz WTUKCLGPYIPBHP-CQSZACIVSA-N 1 2 297.443 0.633 40 0 CCABLO O=C1CO[C@H]2CN(Cc3[nH]cc[nH+]3)C[C@H]2N1CC1CC1 ZINC000067897122 296341202 /nfs/dbraw/zinc/34/12/02/296341202.db2.gz NVDMAIUQDLFKAF-NEPJUHHUSA-N 1 2 276.340 0.231 40 0 biogenic,in-vitro CCABLO O=C(Cc1cccc(F)c1)NCC[NH+]1CCOCC1 ZINC000019934976 388794675 /nfs/dbraw/zinc/79/46/75/388794675.db2.gz BAVYQOCQIULZNH-UHFFFAOYSA-N 1 2 266.316 0.817 40 0 CCABLO CCc1cc(C(=O)NC(C)(C)C[NH+]2CCN(C)CC2)on1 ZINC000023247825 388802259 /nfs/dbraw/zinc/80/22/59/388802259.db2.gz GQPHZFKYLVUIIE-UHFFFAOYSA-N 1 2 294.399 0.993 40 0 CCABLO Cc1cc(N2CCO[C@@H](c3cc(CO)[nH]n3)C2)nc[nH+]1 ZINC000072385515 388961142 /nfs/dbraw/zinc/96/11/42/388961142.db2.gz BVHKFJLTOACWMX-GFCCVEGCSA-N 1 2 275.312 0.578 40 0 CCABLO COC[C@H]1Cn2c[nH+]cc2CN(C(=O)c2ncccn2)C1 ZINC000096206637 389052922 /nfs/dbraw/zinc/05/29/22/389052922.db2.gz BFKMWQVMZVHPFP-LLVKDONJSA-N 1 2 287.323 0.592 40 0 CCABLO O=S1(=O)CC[C@H]([N@@H+](Cc2ccccc2)C[C@H](O)CO)C1 ZINC000575420168 390839652 /nfs/dbraw/zinc/83/96/52/390839652.db2.gz GPRXXTHRNDEIDZ-KBPBESRZSA-N 1 2 299.392 0.029 40 0 CCABLO O=S1(=O)CC[C@H]([N@H+](Cc2ccccc2)C[C@H](O)CO)C1 ZINC000575420168 390839656 /nfs/dbraw/zinc/83/96/56/390839656.db2.gz GPRXXTHRNDEIDZ-KBPBESRZSA-N 1 2 299.392 0.029 40 0 CCABLO Cc1cccc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)n1 ZINC000072368710 176383778 /nfs/dbraw/zinc/38/37/78/176383778.db2.gz RROQRAMDDROVSH-UHFFFAOYSA-N 1 2 283.397 0.857 40 0 CCABLO Cc1cccc(C[N@H+]2CCCN(S(C)(=O)=O)CC2)n1 ZINC000072368710 176383779 /nfs/dbraw/zinc/38/37/79/176383779.db2.gz RROQRAMDDROVSH-UHFFFAOYSA-N 1 2 283.397 0.857 40 0 CCABLO NC(=O)C[N@@H+]1CCC[C@H]1c1cncc(Nc2ncccn2)n1 ZINC000072383070 176388200 /nfs/dbraw/zinc/38/82/00/176388200.db2.gz LIIYJDKTHANGFY-NSHDSACASA-N 1 2 299.338 0.632 40 0 CCABLO NC(=O)C[N@H+]1CCC[C@H]1c1cncc(Nc2ncccn2)n1 ZINC000072383070 176388202 /nfs/dbraw/zinc/38/82/02/176388202.db2.gz LIIYJDKTHANGFY-NSHDSACASA-N 1 2 299.338 0.632 40 0 CCABLO C[C@H](CNC(=O)C[NH+]1C[C@@H](C)O[C@H](C)C1)n1cncn1 ZINC000072398037 176396034 /nfs/dbraw/zinc/39/60/34/176396034.db2.gz PSDPGBXDKBJBDA-IJLUTSLNSA-N 1 2 281.360 0.065 40 0 CCABLO COC[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2ccnnc2)C1 ZINC000096086770 277581230 /nfs/dbraw/zinc/58/12/30/277581230.db2.gz RVLXYVGVZHHPER-LLVKDONJSA-N 1 2 287.323 0.592 40 0 CCABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cncnc2)[nH+]1 ZINC000257328435 301025499 /nfs/dbraw/zinc/02/54/99/301025499.db2.gz XFQAQLDMKFFAJN-LLVKDONJSA-N 1 2 273.296 0.722 40 0 CCABLO Cc1ccc(N2CC[N@H+](C(C)C)[C@@H](C(N)=O)C2)nn1 ZINC000247935242 334291788 /nfs/dbraw/zinc/29/17/88/334291788.db2.gz RXEWIJCEEGQQNH-LLVKDONJSA-N 1 2 263.345 0.169 40 0 CCABLO Cc1ccc(N2CC[N@@H+](C(C)C)[C@@H](C(N)=O)C2)nn1 ZINC000247935242 334291787 /nfs/dbraw/zinc/29/17/87/334291787.db2.gz RXEWIJCEEGQQNH-LLVKDONJSA-N 1 2 263.345 0.169 40 0 CCABLO C[NH+](C)C1(Cc2cc(CN3CCOCC3)on2)COC1 ZINC000067898387 638219902 /nfs/dbraw/zinc/21/99/02/638219902.db2.gz GMCAHKNSSLPEIY-UHFFFAOYSA-N 1 2 281.356 0.380 40 0 biogenic,in-vitro CCABLO COCCNC(=O)N1CC[NH+](C[C@H](O)c2ccco2)CC1 ZINC000085466873 179072459 /nfs/dbraw/zinc/07/24/59/179072459.db2.gz LWIKMFMBKRNACQ-LBPRGKRZSA-N 1 2 297.355 0.287 40 0 CCABLO Cc1nn(CC(=O)NCc2[nH+]ccn2C)c(C)c1C ZINC000019556664 348064443 /nfs/dbraw/zinc/06/44/43/348064443.db2.gz LNPIRLGUEVNDPZ-UHFFFAOYSA-N 1 2 261.329 0.858 40 0 CCABLO CNC(=O)[C@@H]1C[N@H+](Cc2cccnc2N(C)C)CCO1 ZINC000019747334 348069357 /nfs/dbraw/zinc/06/93/57/348069357.db2.gz QUKXBINQMJHTAQ-LBPRGKRZSA-N 1 2 278.356 0.094 40 0 CCABLO CNC(=O)[C@@H]1C[N@@H+](Cc2cccnc2N(C)C)CCO1 ZINC000019747334 348069358 /nfs/dbraw/zinc/06/93/58/348069358.db2.gz QUKXBINQMJHTAQ-LBPRGKRZSA-N 1 2 278.356 0.094 40 0 CCABLO Cn1cc[nH+]c1CNC(=O)Cn1c2ccccc2n(C)c1=O ZINC000019291512 348058842 /nfs/dbraw/zinc/05/88/42/348058842.db2.gz ZEVMWYDEBAUDHS-UHFFFAOYSA-N 1 2 299.334 0.390 40 0 CCABLO OCC[N@@H+]1CCO[C@H](COc2ccc(F)cc2)C1 ZINC000217487652 351948334 /nfs/dbraw/zinc/94/83/34/351948334.db2.gz RPUJYPZGYNAZRG-ZDUSSCGKSA-N 1 2 255.289 0.898 40 0 CCABLO OCC[N@H+]1CCO[C@H](COc2ccc(F)cc2)C1 ZINC000217487652 351948335 /nfs/dbraw/zinc/94/83/35/351948335.db2.gz RPUJYPZGYNAZRG-ZDUSSCGKSA-N 1 2 255.289 0.898 40 0 CCABLO C[NH+]1CCN(C(=O)Cn2ccc(=O)c3ccccc32)CC1 ZINC000225720215 352012102 /nfs/dbraw/zinc/01/21/02/352012102.db2.gz JQTBIGHYTATMRX-UHFFFAOYSA-N 1 2 285.347 0.776 40 0 CCABLO Cn1ccc(C(=O)N2CC[C@]3(CCn4cc[nH+]c43)C2)n1 ZINC000306142735 354173470 /nfs/dbraw/zinc/17/34/70/354173470.db2.gz XHVQLPHAYGZUQG-CQSZACIVSA-N 1 2 271.324 0.804 40 0 CCABLO CCCC(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NC)C1 ZINC000585096092 359247507 /nfs/dbraw/zinc/24/75/07/359247507.db2.gz QIUMULSMKBSBBS-JTQLQIEISA-N 1 2 250.302 0.313 40 0 CCABLO CS(=O)(=O)NC[C@H]1C[N@@H+](C2CCC2)Cc2ccnn21 ZINC000585111502 359250180 /nfs/dbraw/zinc/25/01/80/359250180.db2.gz BXOKLVSWCNKEIM-LBPRGKRZSA-N 1 2 284.385 0.342 40 0 CCABLO CS(=O)(=O)NC[C@H]1C[N@H+](C2CCC2)Cc2ccnn21 ZINC000585111502 359250188 /nfs/dbraw/zinc/25/01/88/359250188.db2.gz BXOKLVSWCNKEIM-LBPRGKRZSA-N 1 2 284.385 0.342 40 0 CCABLO Cc1nc(N2C[C@H](O)[C@@H](CC(=O)N(C)C)C2)cc[nH+]1 ZINC000585276464 359258003 /nfs/dbraw/zinc/25/80/03/359258003.db2.gz OZCHZXCSDAUMMR-QWRGUYRKSA-N 1 2 264.329 0.060 40 0 CCABLO O=C(CCCn1cc[nH+]c1)N1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257232550 190017223 /nfs/dbraw/zinc/01/72/23/190017223.db2.gz GLIWHEPVGXGMIC-ZFWWWQNUSA-N 1 2 293.367 0.806 40 0 CCABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)CN3CCOCC3)C2)[nH+]1 ZINC000257275755 190024457 /nfs/dbraw/zinc/02/44/57/190024457.db2.gz NQTMQWQDLDRZHR-CYBMUJFWSA-N 1 2 292.383 0.756 40 0 CCABLO CC(C)N1Cc2c(n(C)nc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000096187566 389048368 /nfs/dbraw/zinc/04/83/68/389048368.db2.gz AQQUTXWIIDTUFE-UHFFFAOYSA-N 1 2 291.399 0.532 40 0 CCABLO CN(C)C(=O)CN1CCC2(C[NH+](Cc3cccnc3)C2)C1 ZINC000096202646 389051629 /nfs/dbraw/zinc/05/16/29/389051629.db2.gz WCSVICGMHLRCIG-UHFFFAOYSA-N 1 2 288.395 0.678 40 0 CCABLO Cn1ccnc1C[NH+]1CCC2(CC1)CN(C)C(=O)CO2 ZINC000096201340 389051728 /nfs/dbraw/zinc/05/17/28/389051728.db2.gz MFQLNTDDWYXMRO-UHFFFAOYSA-N 1 2 278.356 0.243 40 0 CCABLO CN1C(=O)CO[C@H]2CC[N@@H+](Cc3ncccc3F)C[C@@H]21 ZINC000257297123 389269359 /nfs/dbraw/zinc/26/93/59/389269359.db2.gz RFYRCLQFWKYUAS-STQMWFEESA-N 1 2 279.315 0.652 40 0 CCABLO CN1C(=O)CO[C@H]2CC[N@H+](Cc3ncccc3F)C[C@@H]21 ZINC000257297123 389269361 /nfs/dbraw/zinc/26/93/61/389269361.db2.gz RFYRCLQFWKYUAS-STQMWFEESA-N 1 2 279.315 0.652 40 0 CCABLO CC[N@H+](Cc1ccc(C)cc1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000575420077 390839498 /nfs/dbraw/zinc/83/94/98/390839498.db2.gz FJUBMSVJPYFOIP-KBPBESRZSA-N 1 2 283.393 0.975 40 0 CCABLO CC[N@@H+](Cc1ccc(C)cc1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000575420077 390839499 /nfs/dbraw/zinc/83/94/99/390839499.db2.gz FJUBMSVJPYFOIP-KBPBESRZSA-N 1 2 283.393 0.975 40 0 CCABLO CCOC(=O)[C@H]1C(=O)[C@@H](C(=O)OCC)[C@@H](C)[NH2+][C@@H]1C ZINC000071255560 285930653 /nfs/dbraw/zinc/93/06/53/285930653.db2.gz XVOQMOGMRVWPRN-KYXWUPHJSA-N 1 2 271.313 0.294 40 0 CCABLO COCCNc1cc([C@H]2C[N@H+](C)CCO2)nc(C)n1 ZINC000072386655 176392144 /nfs/dbraw/zinc/39/21/44/176392144.db2.gz QVKDZJKCUHDRTG-GFCCVEGCSA-N 1 2 266.345 0.846 40 0 CCABLO COCCNc1cc([C@H]2C[N@@H+](C)CCO2)nc(C)n1 ZINC000072386655 176392146 /nfs/dbraw/zinc/39/21/46/176392146.db2.gz QVKDZJKCUHDRTG-GFCCVEGCSA-N 1 2 266.345 0.846 40 0 CCABLO CS(=O)(=O)N1CCC[C@@H](c2cccc(NCCO)[nH+]2)C1 ZINC000072386589 176392149 /nfs/dbraw/zinc/39/21/49/176392149.db2.gz XVABKOPNXBFJAI-LLVKDONJSA-N 1 2 299.396 0.625 40 0 CCABLO Cc1nc([C@@H]2C[N@H+](C)CCO2)cc(N(C)CCO)n1 ZINC000072386832 176392289 /nfs/dbraw/zinc/39/22/89/176392289.db2.gz QLIAPSMMWLTDJL-LBPRGKRZSA-N 1 2 266.345 0.217 40 0 CCABLO Cc1nc([C@@H]2C[N@@H+](C)CCO2)cc(N(C)CCO)n1 ZINC000072386832 176392291 /nfs/dbraw/zinc/39/22/91/176392291.db2.gz QLIAPSMMWLTDJL-LBPRGKRZSA-N 1 2 266.345 0.217 40 0 CCABLO C[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@@H](C)S1=O ZINC000331167676 288199316 /nfs/dbraw/zinc/19/93/16/288199316.db2.gz MXIQAVGDZRMVML-UTUOFQBUSA-N 1 2 271.386 0.085 40 0 CCABLO O=C1CCCN1CCNC(=S)Nc1cc[nH+]cc1 ZINC000225812900 230399935 /nfs/dbraw/zinc/39/99/35/230399935.db2.gz MVXPZKVVDABNFT-UHFFFAOYSA-N 1 2 264.354 0.990 40 0 CCABLO COC[C@@H]1C[N@H+](Cc2cccnc2)Cc2nnn(C)c21 ZINC000096060615 185081857 /nfs/dbraw/zinc/08/18/57/185081857.db2.gz ROZSQTZBQWFBTQ-LBPRGKRZSA-N 1 2 273.340 0.956 40 0 CCABLO COC[C@@H]1C[N@@H+](Cc2cccnc2)Cc2nnn(C)c21 ZINC000096060615 185081859 /nfs/dbraw/zinc/08/18/59/185081859.db2.gz ROZSQTZBQWFBTQ-LBPRGKRZSA-N 1 2 273.340 0.956 40 0 CCABLO CCS(=O)(=O)N1CCn2c(Cn3cccn3)c[nH+]c2C1 ZINC000096061823 185082563 /nfs/dbraw/zinc/08/25/63/185082563.db2.gz QQEVNXSXHBIHQS-UHFFFAOYSA-N 1 2 295.368 0.293 40 0 CCABLO Cc1nc(C)c(CC(=O)NCc2[nH+]ccn2C)c(=O)[nH]1 ZINC000019579153 348065687 /nfs/dbraw/zinc/06/56/87/348065687.db2.gz ZTOOCQPMSLQZBP-UHFFFAOYSA-N 1 2 275.312 0.391 40 0 CCABLO CNC(=O)[C@H]1C[N@H+](Cc2cccnc2N(C)C)CCO1 ZINC000019747335 348068879 /nfs/dbraw/zinc/06/88/79/348068879.db2.gz QUKXBINQMJHTAQ-GFCCVEGCSA-N 1 2 278.356 0.094 40 0 CCABLO CNC(=O)[C@H]1C[N@@H+](Cc2cccnc2N(C)C)CCO1 ZINC000019747335 348068882 /nfs/dbraw/zinc/06/88/82/348068882.db2.gz QUKXBINQMJHTAQ-GFCCVEGCSA-N 1 2 278.356 0.094 40 0 CCABLO CC(=O)N1CC(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)C1 ZINC000019747504 348069302 /nfs/dbraw/zinc/06/93/02/348069302.db2.gz WQWQJVBFXNHHCN-LBPRGKRZSA-N 1 2 276.340 0.466 40 0 CCABLO Cc1ccnc(SCC(=O)N2CC[NH+](C)CC2)n1 ZINC000033679963 348147537 /nfs/dbraw/zinc/14/75/37/348147537.db2.gz CJTBWBJKTUUWQM-UHFFFAOYSA-N 1 2 266.370 0.651 40 0 CCABLO CNC(=O)[C@H]1CN(c2ncccn2)CC[N@@H+]1C(C)C ZINC000072365977 348920880 /nfs/dbraw/zinc/92/08/80/348920880.db2.gz OVCPCBWBXUYQNI-LLVKDONJSA-N 1 2 263.345 0.122 40 0 CCABLO CNC(=O)[C@H]1CN(c2ncccn2)CC[N@H+]1C(C)C ZINC000072365977 348920891 /nfs/dbraw/zinc/92/08/91/348920891.db2.gz OVCPCBWBXUYQNI-LLVKDONJSA-N 1 2 263.345 0.122 40 0 CCABLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)[C@@H]3CCOC3)C[C@@H]21 ZINC000108525489 186221397 /nfs/dbraw/zinc/22/13/97/186221397.db2.gz KNQPBHUZJLINCG-AGIUHOORSA-N 1 2 268.357 0.345 40 0 CCABLO CC[N@H+]1CCO[C@H]2CCN(C(=O)[C@@H]3CCOC3)C[C@@H]21 ZINC000108525489 186221399 /nfs/dbraw/zinc/22/13/99/186221399.db2.gz KNQPBHUZJLINCG-AGIUHOORSA-N 1 2 268.357 0.345 40 0 CCABLO OCC[N@@H+]1CCO[C@@H](COc2ccc(F)cc2)C1 ZINC000217487558 351948314 /nfs/dbraw/zinc/94/83/14/351948314.db2.gz RPUJYPZGYNAZRG-CYBMUJFWSA-N 1 2 255.289 0.898 40 0 CCABLO OCC[N@H+]1CCO[C@@H](COc2ccc(F)cc2)C1 ZINC000217487558 351948316 /nfs/dbraw/zinc/94/83/16/351948316.db2.gz RPUJYPZGYNAZRG-CYBMUJFWSA-N 1 2 255.289 0.898 40 0 CCABLO Cc1ccc(C[N@@H+](C)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000251493871 352510439 /nfs/dbraw/zinc/51/04/39/352510439.db2.gz UAWYGOGMEQHEAV-QWHCGFSZSA-N 1 2 269.366 0.585 40 0 CCABLO Cc1ccc(C[N@H+](C)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000251493871 352510446 /nfs/dbraw/zinc/51/04/46/352510446.db2.gz UAWYGOGMEQHEAV-QWHCGFSZSA-N 1 2 269.366 0.585 40 0 CCABLO Cn1c[nH+]c2c1C[C@@H](CO)N(C(=O)c1ccoc1)C2 ZINC000585094757 359245814 /nfs/dbraw/zinc/24/58/14/359245814.db2.gz LINLMPMRPSXVRW-JTQLQIEISA-N 1 2 261.281 0.573 40 0 CCABLO CC(C)C(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCC2CC2)C1 ZINC000585096002 359247558 /nfs/dbraw/zinc/24/75/58/359247558.db2.gz XSKDEKLDJRCZAH-ZDUSSCGKSA-N 1 2 290.367 0.949 40 0 CCABLO CC(=O)NCC(=O)N1CCC[C@@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257298272 190029079 /nfs/dbraw/zinc/02/90/79/190029079.db2.gz RKZZHHPMXKEANL-LLVKDONJSA-N 1 2 264.329 0.560 40 0 CCABLO CC(=O)N1CC[NH2+]C[C@H]1C(=O)NC1CCCCC1 ZINC000257325361 190034333 /nfs/dbraw/zinc/03/43/33/190034333.db2.gz WSPZZIKBWOZYFG-LBPRGKRZSA-N 1 2 253.346 0.256 40 0 CCABLO CNC(=O)[C@H]1CN(C(=O)c2cccnc2)CC[N@@H+]1C(C)C ZINC000257336046 190036424 /nfs/dbraw/zinc/03/64/24/190036424.db2.gz YMXRCTNXJGMIIQ-CYBMUJFWSA-N 1 2 290.367 0.362 40 0 CCABLO CNC(=O)[C@H]1CN(C(=O)c2cccnc2)CC[N@H+]1C(C)C ZINC000257336046 190036425 /nfs/dbraw/zinc/03/64/25/190036425.db2.gz YMXRCTNXJGMIIQ-CYBMUJFWSA-N 1 2 290.367 0.362 40 0 CCABLO CS(=O)(=O)C1(c2noc(C[NH3+])n2)CCCCC1 ZINC000096524319 256732147 /nfs/dbraw/zinc/73/21/47/256732147.db2.gz JWMFMAXKASMYQW-UHFFFAOYSA-N 1 2 259.331 0.732 40 0 CCABLO COC[C@H]1Cn2cc[nH+]c2CN(C(=O)N2CCOCC2)C1 ZINC000096187789 389048507 /nfs/dbraw/zinc/04/85/07/389048507.db2.gz KBAMOQLQSSGVNX-LBPRGKRZSA-N 1 2 294.355 0.414 40 0 CCABLO COc1ccc([C@@H]([NH3+])c2nnc(Cn3cncn3)[nH]2)cc1 ZINC000095533689 389042019 /nfs/dbraw/zinc/04/20/19/389042019.db2.gz QGCXKEDBPWPQEK-GFCCVEGCSA-N 1 2 285.311 0.501 40 0 CCABLO Cc1ncsc1C[N@@H+]1CCO[C@@](C)(C(N)=O)C1 ZINC000205681685 389130235 /nfs/dbraw/zinc/13/02/35/389130235.db2.gz BSXXYDDXZNLBCI-LLVKDONJSA-N 1 2 255.343 0.528 40 0 CCABLO Cc1ncsc1C[N@H+]1CCO[C@@](C)(C(N)=O)C1 ZINC000205681685 389130238 /nfs/dbraw/zinc/13/02/38/389130238.db2.gz BSXXYDDXZNLBCI-LLVKDONJSA-N 1 2 255.343 0.528 40 0 CCABLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CCN(c2ncccn2)C1 ZINC000072352823 176374440 /nfs/dbraw/zinc/37/44/40/176374440.db2.gz SMMLZUSQWHQZKA-LLVKDONJSA-N 1 2 286.339 0.353 40 0 CCABLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3nccn3C)C[C@@H]21 ZINC000306129871 276393429 /nfs/dbraw/zinc/39/34/29/276393429.db2.gz IPFWTJGFUMLWPW-RYUDHWBXSA-N 1 2 278.356 0.355 40 0 CCABLO CC[N@H+]1CCO[C@H]2CCN(C(=O)c3nccn3C)C[C@@H]21 ZINC000306129871 276393432 /nfs/dbraw/zinc/39/34/32/276393432.db2.gz IPFWTJGFUMLWPW-RYUDHWBXSA-N 1 2 278.356 0.355 40 0 CCABLO Cc1c(CCO)sc(=O)n1Cc1c[nH+]c(C)nc1N ZINC000000002152 347936451 /nfs/dbraw/zinc/93/64/51/347936451.db2.gz VXCONGLPCAPYEU-UHFFFAOYSA-N 1 2 280.353 0.482 40 0 in-vitro CCABLO COC(=O)CSc1nc(N2CCOCC2)cc(C)[nH+]1 ZINC000002710321 347971714 /nfs/dbraw/zinc/97/17/14/347971714.db2.gz WEQDZQLGVCETHA-UHFFFAOYSA-N 1 2 283.353 0.887 40 0 CCABLO Cc1ccc(S(=O)(=O)NN2CC[NH+](C)CC2)cc1 ZINC000005545657 348001734 /nfs/dbraw/zinc/00/17/34/348001734.db2.gz PQGQDKKMWVIXAX-UHFFFAOYSA-N 1 2 269.370 0.436 40 0 CCABLO O=c1[nH]c(C[N@H+]2CCC[C@H](O)C2)nc2ccccc21 ZINC000019375861 348060655 /nfs/dbraw/zinc/06/06/55/348060655.db2.gz JMVAPRGFYZAKJC-JTQLQIEISA-N 1 2 259.309 0.880 40 0 CCABLO O=c1[nH]c(C[N@@H+]2CCC[C@H](O)C2)nc2ccccc21 ZINC000019375861 348060657 /nfs/dbraw/zinc/06/06/57/348060657.db2.gz JMVAPRGFYZAKJC-JTQLQIEISA-N 1 2 259.309 0.880 40 0 CCABLO C[N@H+]1Cc2ccnn2[C@H](CC(=O)N2CCOCC2)C1 ZINC000248022220 352430456 /nfs/dbraw/zinc/43/04/56/352430456.db2.gz JXNCJIDMNOBUSO-GFCCVEGCSA-N 1 2 264.329 0.119 40 0 CCABLO C[N@@H+]1Cc2ccnn2[C@H](CC(=O)N2CCOCC2)C1 ZINC000248022220 352430462 /nfs/dbraw/zinc/43/04/62/352430462.db2.gz JXNCJIDMNOBUSO-GFCCVEGCSA-N 1 2 264.329 0.119 40 0 CCABLO COCC[C@@H]1COCC[N@@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC000329575161 354258383 /nfs/dbraw/zinc/25/83/83/354258383.db2.gz AZTQDTWGIIOEOC-CHWSQXEVSA-N 1 2 291.413 0.549 40 0 CCABLO COCC[C@@H]1COCC[N@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC000329575161 354258384 /nfs/dbraw/zinc/25/83/84/354258384.db2.gz AZTQDTWGIIOEOC-CHWSQXEVSA-N 1 2 291.413 0.549 40 0 CCABLO NC(=O)N1Cc2[nH+]ccn2C[C@H](Cn2cccn2)C1 ZINC000096067077 283301499 /nfs/dbraw/zinc/30/14/99/283301499.db2.gz BSOHWXKIYRTRTR-JTQLQIEISA-N 1 2 260.301 0.290 40 0 CCABLO Cc1cccc(C(=O)N2Cc3[nH+]cn(C)c3C[C@@H]2CO)n1 ZINC000585094949 359247420 /nfs/dbraw/zinc/24/74/20/359247420.db2.gz WFBQSCOTBYFZPR-LLVKDONJSA-N 1 2 286.335 0.683 40 0 CCABLO Cc1cc(N2CC(c3cc(=O)[nH]c(N)n3)C2)nc[nH+]1 ZINC000257212964 190013204 /nfs/dbraw/zinc/01/32/04/190013204.db2.gz CFPRMXHRUKUYFH-UHFFFAOYSA-N 1 2 258.285 0.467 40 0 CCABLO COCCC(=O)N(C)C[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257263291 190022672 /nfs/dbraw/zinc/02/26/72/190022672.db2.gz LPDWXOJQBQVHCT-OAHLLOKOSA-N 1 2 293.367 0.518 40 0 CCABLO CNC(=O)CN1CCC[C@@H]1c1nc(C)ncc1C[NH+](C)C ZINC000257325989 190033979 /nfs/dbraw/zinc/03/39/79/190033979.db2.gz WVHMMJZHOUKNSY-CYBMUJFWSA-N 1 2 291.399 0.730 40 0 CCABLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3S(C)(=O)=O)cn1 ZINC000096252454 256834536 /nfs/dbraw/zinc/83/45/36/256834536.db2.gz URPKBRCLIAVSRL-TXEJJXNPSA-N 1 2 284.385 0.028 40 0 CCABLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3S(C)(=O)=O)cn1 ZINC000096252454 256834538 /nfs/dbraw/zinc/83/45/38/256834538.db2.gz URPKBRCLIAVSRL-TXEJJXNPSA-N 1 2 284.385 0.028 40 0 CCABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cnn(C)c2)[nH+]1 ZINC000257311282 301025084 /nfs/dbraw/zinc/02/50/84/301025084.db2.gz UITVAJMTQJJHAU-LLVKDONJSA-N 1 2 275.312 0.665 40 0 CCABLO S=C(NCC[NH+]1CCOCC1)Nc1cnccn1 ZINC000223892838 534458797 /nfs/dbraw/zinc/45/87/97/534458797.db2.gz BSLBZXQJSBFXTA-UHFFFAOYSA-N 1 2 267.358 0.095 40 0 CCABLO [NH3+][C@H](c1nnc(Cn2cncn2)[nH]1)c1ccc(F)cc1 ZINC000095533280 185007085 /nfs/dbraw/zinc/00/70/85/185007085.db2.gz ATLDVXUOTDLEEG-NSHDSACASA-N 1 2 273.275 0.632 40 0 CCABLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@@H](O)[C@@H]1O ZINC000585291959 359263367 /nfs/dbraw/zinc/26/33/67/359263367.db2.gz UDRXAYWBHUVZED-BYNAWZOMSA-N 1 2 265.313 0.204 40 0 CCABLO CO[C@@H]1COC[C@@H]([N@H+](C)Cc2cc(C)on2)[C@@H]1O ZINC000585292281 359263512 /nfs/dbraw/zinc/26/35/12/359263512.db2.gz ZUYVWWOGZMPEQU-UTUOFQBUSA-N 1 2 256.302 0.190 40 0 CCABLO CO[C@@H]1COC[C@@H]([N@@H+](C)Cc2cc(C)on2)[C@@H]1O ZINC000585292281 359263513 /nfs/dbraw/zinc/26/35/13/359263513.db2.gz ZUYVWWOGZMPEQU-UTUOFQBUSA-N 1 2 256.302 0.190 40 0 CCABLO COc1ccc(C[N@@H+]2CCO[C@](C)(C(N)=O)C2)c(F)c1 ZINC000257207236 190011281 /nfs/dbraw/zinc/01/12/81/190011281.db2.gz BGYVDXIPOMSJQO-AWEZNQCLSA-N 1 2 282.315 0.911 40 0 CCABLO COc1ccc(C[N@H+]2CCO[C@](C)(C(N)=O)C2)c(F)c1 ZINC000257207236 190011282 /nfs/dbraw/zinc/01/12/82/190011282.db2.gz BGYVDXIPOMSJQO-AWEZNQCLSA-N 1 2 282.315 0.911 40 0 CCABLO Cc1nc([C@@H]2CN(Cc3[nH+]ccn3C)CCO2)cc(=O)[nH]1 ZINC000257219315 190014087 /nfs/dbraw/zinc/01/40/87/190014087.db2.gz DGJQROMQBAAXHQ-LBPRGKRZSA-N 1 2 289.339 0.798 40 0 CCABLO Cc1c[nH]c([C@@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)[nH+]1 ZINC000257248421 190020366 /nfs/dbraw/zinc/02/03/66/190020366.db2.gz JDQPGLVEFFWFNI-SNVBAGLBSA-N 1 2 295.368 0.630 40 0 CCABLO CC(=O)N1CC[N@H+](Cc2ccccc2F)C[C@H]1C(N)=O ZINC000257254217 190021167 /nfs/dbraw/zinc/02/11/67/190021167.db2.gz KCFSJOYEHVCFDF-ZDUSSCGKSA-N 1 2 279.315 0.344 40 0 CCABLO CC(=O)N1CC[N@@H+](Cc2ccccc2F)C[C@H]1C(N)=O ZINC000257254217 190021168 /nfs/dbraw/zinc/02/11/68/190021168.db2.gz KCFSJOYEHVCFDF-ZDUSSCGKSA-N 1 2 279.315 0.344 40 0 CCABLO COc1cccc(F)c1C[N@@H+]1C[C@@H]2NC(=O)CO[C@H]2C1 ZINC000257308284 190031021 /nfs/dbraw/zinc/03/10/21/190031021.db2.gz TWDWYVUXLGEDHX-AAEUAGOBSA-N 1 2 280.299 0.534 40 0 CCABLO COc1cccc(F)c1C[N@H+]1C[C@@H]2NC(=O)CO[C@H]2C1 ZINC000257308284 190031022 /nfs/dbraw/zinc/03/10/22/190031022.db2.gz TWDWYVUXLGEDHX-AAEUAGOBSA-N 1 2 280.299 0.534 40 0 CCABLO C[NH+]1CCN(c2c(Cl)cncc2S(N)(=O)=O)CC1 ZINC000072210711 388960670 /nfs/dbraw/zinc/96/06/70/388960670.db2.gz GESZSQKIVMVKBF-UHFFFAOYSA-N 1 2 290.776 0.134 40 0 CCABLO CC[NH+]1CCN(S(=O)(=O)c2cnccc2NC)CC1 ZINC000071226756 388956739 /nfs/dbraw/zinc/95/67/39/388956739.db2.gz DVKNEUQNAPAPIE-UHFFFAOYSA-N 1 2 284.385 0.450 40 0 CCABLO COC[C@@H]1Cn2c[nH+]cc2CN(c2cc(OC)ncn2)C1 ZINC000096216748 389052722 /nfs/dbraw/zinc/05/27/22/389052722.db2.gz MARNXJHQOWOJOR-NSHDSACASA-N 1 2 289.339 0.965 40 0 CCABLO CC(C)[N@@H+]1CCO[C@H]2CN(C(=O)N3CCCC3)C[C@H]21 ZINC000096054292 389044016 /nfs/dbraw/zinc/04/40/16/389044016.db2.gz WXQBIMAYKNZUPX-OLZOCXBDSA-N 1 2 267.373 0.996 40 0 CCABLO CC(C)[N@H+]1CCO[C@H]2CN(C(=O)N3CCCC3)C[C@H]21 ZINC000096054292 389044019 /nfs/dbraw/zinc/04/40/19/389044019.db2.gz WXQBIMAYKNZUPX-OLZOCXBDSA-N 1 2 267.373 0.996 40 0 CCABLO OCC[N@@H+]1CCO[C@@H](COc2ccccc2F)C1 ZINC000217485987 389134426 /nfs/dbraw/zinc/13/44/26/389134426.db2.gz LASYXQQTTSHEEK-LLVKDONJSA-N 1 2 255.289 0.898 40 0 CCABLO OCC[N@H+]1CCO[C@@H](COc2ccccc2F)C1 ZINC000217485987 389134429 /nfs/dbraw/zinc/13/44/29/389134429.db2.gz LASYXQQTTSHEEK-LLVKDONJSA-N 1 2 255.289 0.898 40 0 CCABLO CC(C)n1cc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000072239276 176346970 /nfs/dbraw/zinc/34/69/70/176346970.db2.gz ATHRNJNBLVBKCJ-UHFFFAOYSA-N 1 2 272.374 0.400 40 0 CCABLO COC[C@H]1C[N@H+](Cc2cccnc2)Cc2nnn(C)c21 ZINC000096060614 277267579 /nfs/dbraw/zinc/26/75/79/277267579.db2.gz ROZSQTZBQWFBTQ-GFCCVEGCSA-N 1 2 273.340 0.956 40 0 CCABLO COC[C@H]1C[N@@H+](Cc2cccnc2)Cc2nnn(C)c21 ZINC000096060614 277267582 /nfs/dbraw/zinc/26/75/82/277267582.db2.gz ROZSQTZBQWFBTQ-GFCCVEGCSA-N 1 2 273.340 0.956 40 0 CCABLO COC[C@H]1Cn2cc[nH+]c2CN(C(=O)C2CCOCC2)C1 ZINC000096059112 293240564 /nfs/dbraw/zinc/24/05/64/293240564.db2.gz VTAVCGXTDAQLIW-LBPRGKRZSA-N 1 2 293.367 0.915 40 0 CCABLO COC[C@@H]1Cn2cc[nH+]c2CN(C(=O)N(C)C)C1 ZINC000096059110 185078688 /nfs/dbraw/zinc/07/86/88/185078688.db2.gz NQEVABIQCYPNJY-SNVBAGLBSA-N 1 2 252.318 0.643 40 0 CCABLO c1ncn(Cc2c[nH+]c3n2CCN(c2ncccn2)C3)n1 ZINC000096201139 349617744 /nfs/dbraw/zinc/61/77/44/349617744.db2.gz YSDDLUZHJXIRBI-UHFFFAOYSA-N 1 2 282.311 0.333 40 0 CCABLO Cn1ncc2c1nc(NCCO)[nH+]c2N1CCCCC1 ZINC000007450041 348007325 /nfs/dbraw/zinc/00/73/25/348007325.db2.gz MJRMPLRTVKLXDF-UHFFFAOYSA-N 1 2 276.344 0.758 40 0 CCABLO Cc1ccn(C[C@H](C)C(=O)NCc2[nH+]ccn2C)n1 ZINC000019238019 348058901 /nfs/dbraw/zinc/05/89/01/348058901.db2.gz CXVFOQYPIARIBF-JTQLQIEISA-N 1 2 261.329 0.878 40 0 CCABLO O=C(COc1ccc2c(c1)OCCO2)NCc1[nH]cc[nH+]1 ZINC000019346252 348059598 /nfs/dbraw/zinc/05/95/98/348059598.db2.gz IEOBYONGTMNIKO-UHFFFAOYSA-N 1 2 289.291 0.876 40 0 CCABLO O=S1(=O)CC[C@@H]([N@H+](CCO)Cc2cccc(F)c2)C1 ZINC000072971378 348939325 /nfs/dbraw/zinc/93/93/25/348939325.db2.gz MHQFVDTVKWIRKZ-CYBMUJFWSA-N 1 2 287.356 0.807 40 0 CCABLO O=S1(=O)CC[C@@H]([N@@H+](CCO)Cc2cccc(F)c2)C1 ZINC000072971378 348939327 /nfs/dbraw/zinc/93/93/27/348939327.db2.gz MHQFVDTVKWIRKZ-CYBMUJFWSA-N 1 2 287.356 0.807 40 0 CCABLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)[C@H]3CCOC3)C[C@@H]21 ZINC000108525486 186220923 /nfs/dbraw/zinc/22/09/23/186220923.db2.gz KNQPBHUZJLINCG-AVGNSLFASA-N 1 2 268.357 0.345 40 0 CCABLO CC[N@H+]1CCO[C@H]2CCN(C(=O)[C@H]3CCOC3)C[C@@H]21 ZINC000108525486 186220924 /nfs/dbraw/zinc/22/09/24/186220924.db2.gz KNQPBHUZJLINCG-AVGNSLFASA-N 1 2 268.357 0.345 40 0 CCABLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)Cc2ccon2)C1 ZINC000333037278 354748068 /nfs/dbraw/zinc/74/80/68/354748068.db2.gz NSHXLWKNGKQLED-AWEZNQCLSA-N 1 2 293.367 0.786 40 0 CCABLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)Cc2ccon2)C1 ZINC000333037278 354748069 /nfs/dbraw/zinc/74/80/69/354748069.db2.gz NSHXLWKNGKQLED-AWEZNQCLSA-N 1 2 293.367 0.786 40 0 CCABLO Cn1cc(CN2Cc3[nH+]cn(C)c3C[C@@H]2CO)cn1 ZINC000585094747 359246836 /nfs/dbraw/zinc/24/68/36/359246836.db2.gz KHLDUXYSEFMETD-LLVKDONJSA-N 1 2 261.329 0.073 40 0 CCABLO COCCc1c[nH+]c2n1CCN(CC(=O)N(C)C)[C@@H]2C ZINC000585096931 359247791 /nfs/dbraw/zinc/24/77/91/359247791.db2.gz CSRFNELAUDHZNZ-LLVKDONJSA-N 1 2 280.372 0.537 40 0 CCABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2nccn2C)[nH+]1 ZINC000257214461 190013542 /nfs/dbraw/zinc/01/35/42/190013542.db2.gz CMCMXGONZDNDJE-SNVBAGLBSA-N 1 2 275.312 0.665 40 0 CCABLO CN(C)C(=O)[C@]1(C)C[N@H+](Cc2cncnc2)CCO1 ZINC000257223504 190014612 /nfs/dbraw/zinc/01/46/12/190014612.db2.gz DXQCOWWZKURBAK-ZDUSSCGKSA-N 1 2 264.329 0.156 40 0 CCABLO CN(C)C(=O)[C@]1(C)C[N@@H+](Cc2cncnc2)CCO1 ZINC000257223504 190014613 /nfs/dbraw/zinc/01/46/13/190014613.db2.gz DXQCOWWZKURBAK-ZDUSSCGKSA-N 1 2 264.329 0.156 40 0 CCABLO Cc1cc(=O)[nH]c([C@@H]2CN(Cc3c[nH+]c[nH]3)CCO2)n1 ZINC000257269953 190024130 /nfs/dbraw/zinc/02/41/30/190024130.db2.gz MSCYRGYUQDYPLR-NSHDSACASA-N 1 2 275.312 0.787 40 0 CCABLO Cc1cc(=O)[nH]c([C@@H]2CN(Cc3c[nH]c[nH+]3)CCO2)n1 ZINC000257269953 190024131 /nfs/dbraw/zinc/02/41/31/190024131.db2.gz MSCYRGYUQDYPLR-NSHDSACASA-N 1 2 275.312 0.787 40 0 CCABLO CCOCC[N@@H+]1CCO[C@@H](c2nc(C)cc(=O)[nH]2)C1 ZINC000257305885 190030809 /nfs/dbraw/zinc/03/08/09/190030809.db2.gz SRYKCXNUMUWNJS-LLVKDONJSA-N 1 2 267.329 0.900 40 0 CCABLO CCOCC[N@H+]1CCO[C@@H](c2nc(C)cc(=O)[nH]2)C1 ZINC000257305885 190030810 /nfs/dbraw/zinc/03/08/10/190030810.db2.gz SRYKCXNUMUWNJS-LLVKDONJSA-N 1 2 267.329 0.900 40 0 CCABLO CNC(=O)CN1CCC[C@H]1c1nc(C)ncc1C[NH+](C)C ZINC000257325990 190034188 /nfs/dbraw/zinc/03/41/88/190034188.db2.gz WVHMMJZHOUKNSY-ZDUSSCGKSA-N 1 2 291.399 0.730 40 0 CCABLO Cc1csc(C[N@@H+]2CC[C@H]3C(=O)NCCO[C@H]3C2)n1 ZINC000096206388 389052677 /nfs/dbraw/zinc/05/26/77/389052677.db2.gz KLEGKLQGTRAIKA-MNOVXSKESA-N 1 2 281.381 0.788 40 0 CCABLO Cc1csc(C[N@H+]2CC[C@H]3C(=O)NCCO[C@H]3C2)n1 ZINC000096206388 389052679 /nfs/dbraw/zinc/05/26/79/389052679.db2.gz KLEGKLQGTRAIKA-MNOVXSKESA-N 1 2 281.381 0.788 40 0 CCABLO Cc1cc(N2CC[N@@H+](C(C)C)[C@@H](C(N)=O)C2)ncn1 ZINC000253480195 389268062 /nfs/dbraw/zinc/26/80/62/389268062.db2.gz VLEJXMYNDQPIKI-LLVKDONJSA-N 1 2 263.345 0.169 40 0 CCABLO Cc1cc(N2CC[N@H+](C(C)C)[C@@H](C(N)=O)C2)ncn1 ZINC000253480195 389268063 /nfs/dbraw/zinc/26/80/63/389268063.db2.gz VLEJXMYNDQPIKI-LLVKDONJSA-N 1 2 263.345 0.169 40 0 CCABLO CCOC(=O)[C@@H]1C(=O)[C@@H](C(=O)OCC)[C@H](C)[NH2+][C@@H]1C ZINC000071255558 176095623 /nfs/dbraw/zinc/09/56/23/176095623.db2.gz XVOQMOGMRVWPRN-JXUBOQSCSA-N 1 2 271.313 0.294 40 0 CCABLO COC[C@@H]1CN(C(C)=O)CCN(c2cc(C)[nH+]cn2)C1 ZINC000072376712 176384948 /nfs/dbraw/zinc/38/49/48/176384948.db2.gz UXCGQZYXAPAKBG-CYBMUJFWSA-N 1 2 278.356 0.716 40 0 CCABLO COCC(=O)N1CCC[C@@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378460 176385818 /nfs/dbraw/zinc/38/58/18/176385818.db2.gz XHSKGDKADADTHK-GFCCVEGCSA-N 1 2 287.323 0.972 40 0 CCABLO c1nc(C[N@H+]2CCOC[C@@H](Cc3cnccn3)C2)c[nH]1 ZINC000072388204 176393422 /nfs/dbraw/zinc/39/34/22/176393422.db2.gz FWLYDIYEADAAIW-LBPRGKRZSA-N 1 2 273.340 0.891 40 0 CCABLO c1nc(C[N@@H+]2CCOC[C@@H](Cc3cnccn3)C2)c[nH]1 ZINC000072388204 176393424 /nfs/dbraw/zinc/39/34/24/176393424.db2.gz FWLYDIYEADAAIW-LBPRGKRZSA-N 1 2 273.340 0.891 40 0 CCABLO c1ncc(C[N@H+]2CCOC[C@@H](Cc3cnccn3)C2)[nH]1 ZINC000072388204 176393425 /nfs/dbraw/zinc/39/34/25/176393425.db2.gz FWLYDIYEADAAIW-LBPRGKRZSA-N 1 2 273.340 0.891 40 0 CCABLO c1ncc(C[N@@H+]2CCOC[C@@H](Cc3cnccn3)C2)[nH]1 ZINC000072388204 176393426 /nfs/dbraw/zinc/39/34/26/176393426.db2.gz FWLYDIYEADAAIW-LBPRGKRZSA-N 1 2 273.340 0.891 40 0 CCABLO CNC(=O)[C@H]1CN(c2nc(C)cc(C)n2)CC[N@@H+]1C(C)C ZINC000247985957 334292973 /nfs/dbraw/zinc/29/29/73/334292973.db2.gz IRQTVJUZWALJKD-CYBMUJFWSA-N 1 2 291.399 0.738 40 0 CCABLO CNC(=O)[C@H]1CN(c2nc(C)cc(C)n2)CC[N@H+]1C(C)C ZINC000247985957 334292974 /nfs/dbraw/zinc/29/29/74/334292974.db2.gz IRQTVJUZWALJKD-CYBMUJFWSA-N 1 2 291.399 0.738 40 0 CCABLO Clc1ncc2cnn(CC[NH+]3CCOCC3)c2n1 ZINC000095097381 349589913 /nfs/dbraw/zinc/58/99/13/349589913.db2.gz IJQHWYYYBKLMBS-UHFFFAOYSA-N 1 2 267.720 0.812 40 0 CCABLO CCCCN[C@@]1(N(C)C)N=C(N(C)C)[NH+]=C(N(C)C)O1 ZINC000019327993 348059772 /nfs/dbraw/zinc/05/97/72/348059772.db2.gz HZQWEUCVKYKBEV-ZDUSSCGKSA-N 1 2 284.408 0.414 40 0 CCABLO CNc1ncc(C[NH2+][C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cn1 ZINC000218760493 351961900 /nfs/dbraw/zinc/96/19/00/351961900.db2.gz GGQDPNBTXXLOKR-JTQLQIEISA-N 1 2 276.300 0.027 40 0 CCABLO CNc1ncc(C[NH2+][C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cn1 ZINC000218760493 351961903 /nfs/dbraw/zinc/96/19/03/351961903.db2.gz GGQDPNBTXXLOKR-JTQLQIEISA-N 1 2 276.300 0.027 40 0 CCABLO C[C@@H](c1ccccn1)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000282104034 353393445 /nfs/dbraw/zinc/39/34/45/353393445.db2.gz PKHXXSVEZWCKGJ-STQMWFEESA-N 1 2 292.383 0.261 40 0 CCABLO C[C@@H](c1ccccn1)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000282104034 353393449 /nfs/dbraw/zinc/39/34/49/353393449.db2.gz PKHXXSVEZWCKGJ-STQMWFEESA-N 1 2 292.383 0.261 40 0 CCABLO C[C@@H](c1ccccn1)[N@@H+]1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000282104034 353393451 /nfs/dbraw/zinc/39/34/51/353393451.db2.gz PKHXXSVEZWCKGJ-STQMWFEESA-N 1 2 292.383 0.261 40 0 CCABLO C[C@@H](c1ccccn1)[N@H+]1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000282104034 353393455 /nfs/dbraw/zinc/39/34/55/353393455.db2.gz PKHXXSVEZWCKGJ-STQMWFEESA-N 1 2 292.383 0.261 40 0 CCABLO Cn1cc(CN2Cc3[nH+]cn(C)c3C[C@H]2CO)cn1 ZINC000585094748 359245637 /nfs/dbraw/zinc/24/56/37/359245637.db2.gz KHLDUXYSEFMETD-NSHDSACASA-N 1 2 261.329 0.073 40 0 CCABLO CNC(=O)[C@H]1COC2(CN(CC3CC3)C2)C[N@@H+]1CC1CC1 ZINC000585109442 359249333 /nfs/dbraw/zinc/24/93/33/359249333.db2.gz PBDOJQHPVMCAJM-CQSZACIVSA-N 1 2 293.411 0.308 40 0 CCABLO CNC(=O)[C@H]1COC2(CN(CC3CC3)C2)C[N@H+]1CC1CC1 ZINC000585109442 359249336 /nfs/dbraw/zinc/24/93/36/359249336.db2.gz PBDOJQHPVMCAJM-CQSZACIVSA-N 1 2 293.411 0.308 40 0 CCABLO CN(C)c1nccnc1[C@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000257209642 190012254 /nfs/dbraw/zinc/01/22/54/190012254.db2.gz BRHDUKTVSOXLNM-LLVKDONJSA-N 1 2 288.355 0.839 40 0 CCABLO C[C@]1(C(N)=O)C[N@H+](Cc2ccc3c(c2)OCCO3)CCO1 ZINC000257307963 190031359 /nfs/dbraw/zinc/03/13/59/190031359.db2.gz TUWUQRKDOCUUQY-OAHLLOKOSA-N 1 2 292.335 0.534 40 0 CCABLO C[C@]1(C(N)=O)C[N@@H+](Cc2ccc3c(c2)OCCO3)CCO1 ZINC000257307963 190031360 /nfs/dbraw/zinc/03/13/60/190031360.db2.gz TUWUQRKDOCUUQY-OAHLLOKOSA-N 1 2 292.335 0.534 40 0 CCABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CCN(Cc2[nH]cc[nH+]2)C1 ZINC000257311025 190032038 /nfs/dbraw/zinc/03/20/38/190032038.db2.gz UHPYWXUWAJFUNW-SECBINFHSA-N 1 2 295.368 0.526 40 0 CCABLO CC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H](C(N)=O)C1 ZINC000257324156 190034251 /nfs/dbraw/zinc/03/42/51/190034251.db2.gz WNKNYAHLZMBFFX-AWEZNQCLSA-N 1 2 290.367 0.156 40 0 CCABLO CC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H](C(N)=O)C1 ZINC000257324156 190034252 /nfs/dbraw/zinc/03/42/52/190034252.db2.gz WNKNYAHLZMBFFX-AWEZNQCLSA-N 1 2 290.367 0.156 40 0 CCABLO Cc1ccc(C(=O)N2C[C@@H](O)[C@H]([NH+](C)C)C2)cc1F ZINC000257324076 190034283 /nfs/dbraw/zinc/03/42/83/190034283.db2.gz WNASXZDYSMZKPG-CHWSQXEVSA-N 1 2 266.316 0.881 40 0 CCABLO OCC[NH+]1CSC(=S)NCCNC(=S)SC1 ZINC000018062910 388791469 /nfs/dbraw/zinc/79/14/69/388791469.db2.gz RZYJVRGTIRVXEZ-UHFFFAOYSA-N 1 2 297.496 0.425 40 0 CCABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccc(=O)[nH]n2)[nH+]1 ZINC000257246359 301025525 /nfs/dbraw/zinc/02/55/25/301025525.db2.gz ITTMUYKVVGMSMC-SNVBAGLBSA-N 1 2 289.295 0.015 40 0 CCABLO CC[N@H+](Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000037487437 348189647 /nfs/dbraw/zinc/18/96/47/348189647.db2.gz IHKZRZOJHPJARO-OLZOCXBDSA-N 1 2 269.366 0.666 40 0 CCABLO CC[N@@H+](Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000037487437 348189649 /nfs/dbraw/zinc/18/96/49/348189649.db2.gz IHKZRZOJHPJARO-OLZOCXBDSA-N 1 2 269.366 0.666 40 0 CCABLO O=C1[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]1CS(=O)(=O)C2 ZINC000074942109 349015291 /nfs/dbraw/zinc/01/52/91/349015291.db2.gz OSROZVNMOPPSPF-BETUJISGSA-N 1 2 279.361 0.732 40 0 CCABLO O=C1[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]1CS(=O)(=O)C2 ZINC000074942109 349015292 /nfs/dbraw/zinc/01/52/92/349015292.db2.gz OSROZVNMOPPSPF-BETUJISGSA-N 1 2 279.361 0.732 40 0 CCABLO OCC[N@@H+]1CCO[C@H](COc2cccc(F)c2)C1 ZINC000217486845 351948396 /nfs/dbraw/zinc/94/83/96/351948396.db2.gz KKBKYHRFOQEGSA-ZDUSSCGKSA-N 1 2 255.289 0.898 40 0 CCABLO OCC[N@H+]1CCO[C@H](COc2cccc(F)c2)C1 ZINC000217486845 351948397 /nfs/dbraw/zinc/94/83/97/351948397.db2.gz KKBKYHRFOQEGSA-ZDUSSCGKSA-N 1 2 255.289 0.898 40 0 CCABLO CN(C)S(=O)(=O)N(C)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257269418 352551714 /nfs/dbraw/zinc/55/17/14/352551714.db2.gz MPWIQNFPGWSCFH-LBPRGKRZSA-N 1 2 298.412 0.789 40 0 CCABLO CNC(=O)N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC000096144969 283342640 /nfs/dbraw/zinc/34/26/40/283342640.db2.gz GUWNEXMNBVOENK-UHFFFAOYSA-N 1 2 277.372 0.767 40 0 CCABLO CO[C@@]1(CCC(N)=O)CCC[N@H+](Cc2cn[nH]c2C)C1 ZINC000585276023 359258160 /nfs/dbraw/zinc/25/81/60/359258160.db2.gz LCXDSJZTXIYGGE-CQSZACIVSA-N 1 2 280.372 0.965 40 0 CCABLO CO[C@@]1(CCC(N)=O)CCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000585276023 359258165 /nfs/dbraw/zinc/25/81/65/359258165.db2.gz LCXDSJZTXIYGGE-CQSZACIVSA-N 1 2 280.372 0.965 40 0 CCABLO Cn1c[nH+]c2c1C[C@H](CO)N(C(=O)C1=CCCC1)C2 ZINC000585094801 359246063 /nfs/dbraw/zinc/24/60/63/359246063.db2.gz NKZVBNKYTPDHJG-LLVKDONJSA-N 1 2 261.325 0.776 40 0 CCABLO Cn1c[nH+]c2c1C[C@H](CO)N(C(=O)COC1CCCC1)C2 ZINC000585094833 359246514 /nfs/dbraw/zinc/24/65/14/359246514.db2.gz OSVQZYMONDGRDC-LLVKDONJSA-N 1 2 293.367 0.625 40 0 CCABLO CNC(=O)CC[C@]1(O)CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000585275267 359256912 /nfs/dbraw/zinc/25/69/12/359256912.db2.gz BNKGGFUYCPKKGF-CYBMUJFWSA-N 1 2 266.345 0.263 40 0 CCABLO CNC(=O)CC[C@]1(O)CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000585275267 359256917 /nfs/dbraw/zinc/25/69/17/359256917.db2.gz BNKGGFUYCPKKGF-CYBMUJFWSA-N 1 2 266.345 0.263 40 0 CCABLO Cn1ccnc1C[N@@H+]1CCOC[C@H](Cc2cnccn2)C1 ZINC000257307245 190031025 /nfs/dbraw/zinc/03/10/25/190031025.db2.gz SXVNHLIBSWQJCS-CYBMUJFWSA-N 1 2 287.367 0.901 40 0 CCABLO Cn1ccnc1C[N@H+]1CCOC[C@H](Cc2cnccn2)C1 ZINC000257307245 190031026 /nfs/dbraw/zinc/03/10/26/190031026.db2.gz SXVNHLIBSWQJCS-CYBMUJFWSA-N 1 2 287.367 0.901 40 0 CCABLO CC(C)C[N@@H+]1CC(=O)N2CCC[C@@H](C)N2C(=O)C1 ZINC000001579211 388754553 /nfs/dbraw/zinc/75/45/53/388754553.db2.gz VUBLPJLURZRNKQ-LLVKDONJSA-N 1 2 253.346 0.713 40 0 CCABLO CC(C)C[N@H+]1CC(=O)N2CCC[C@@H](C)N2C(=O)C1 ZINC000001579211 388754559 /nfs/dbraw/zinc/75/45/59/388754559.db2.gz VUBLPJLURZRNKQ-LLVKDONJSA-N 1 2 253.346 0.713 40 0 CCABLO C[C@@H]1c2[nH+]cc(Cn3cncn3)n2CCN1[C@@H]1CCOC1 ZINC000096201286 389051738 /nfs/dbraw/zinc/05/17/38/389051738.db2.gz LOKCBFVXKHNIPH-VXGBXAGGSA-N 1 2 288.355 0.688 40 0 CCABLO OCCOCc1nnn2c1C[N@H+](Cc1ccoc1)CCC2 ZINC000096256062 389058225 /nfs/dbraw/zinc/05/82/25/389058225.db2.gz HGPWVFTZIUDUTQ-UHFFFAOYSA-N 1 2 292.339 0.786 40 0 CCABLO OCCOCc1nnn2c1C[N@@H+](Cc1ccoc1)CCC2 ZINC000096256062 389058227 /nfs/dbraw/zinc/05/82/27/389058227.db2.gz HGPWVFTZIUDUTQ-UHFFFAOYSA-N 1 2 292.339 0.786 40 0 CCABLO CCNc1cc(-c2cccnc2)[nH+]c(NCCCO)n1 ZINC000329062944 389149806 /nfs/dbraw/zinc/14/98/06/389149806.db2.gz XBAGANMAGZTZGQ-UHFFFAOYSA-N 1 2 273.340 0.609 40 0 CCABLO CCS(=O)(=O)N1C[C@@H](O)[C@H]([NH+]2CCC(F)(F)CC2)C1 ZINC000257216823 286668654 /nfs/dbraw/zinc/66/86/54/286668654.db2.gz CWFVAVMUTHTAER-NXEZZACHSA-N 1 2 298.355 0.112 40 0 CCABLO NC(=O)C[N@@H+]1CCC[C@@H]1c1cncc(Nc2ncccn2)n1 ZINC000072383071 176388235 /nfs/dbraw/zinc/38/82/35/176388235.db2.gz LIIYJDKTHANGFY-LLVKDONJSA-N 1 2 299.338 0.632 40 0 CCABLO NC(=O)C[N@H+]1CCC[C@@H]1c1cncc(Nc2ncccn2)n1 ZINC000072383071 176388237 /nfs/dbraw/zinc/38/82/37/176388237.db2.gz LIIYJDKTHANGFY-LLVKDONJSA-N 1 2 299.338 0.632 40 0 CCABLO COCCC(=O)N1CCC[C@@H]1Cc1[nH+]ccn1C ZINC000072383354 176388580 /nfs/dbraw/zinc/38/85/80/176388580.db2.gz JVQGMXDHMNNLSR-LLVKDONJSA-N 1 2 251.330 0.990 40 0 CCABLO COC(=O)CNC(=O)C[NH+]1Cc2cc(C)c(C)cc2C1 ZINC000409196401 261147364 /nfs/dbraw/zinc/14/73/64/261147364.db2.gz UOPWOLQLTHIRQI-UHFFFAOYSA-N 1 2 276.336 0.908 40 0 CCABLO CNc1ncccc1C[N@@H+]1C[C@@H]2OCC(=O)N(C)[C@H]2C1 ZINC000257329023 277046411 /nfs/dbraw/zinc/04/64/11/277046411.db2.gz XIBPLWLNNTVETL-RYUDHWBXSA-N 1 2 276.340 0.165 40 0 CCABLO CNc1ncccc1C[N@H+]1C[C@@H]2OCC(=O)N(C)[C@H]2C1 ZINC000257329023 277046412 /nfs/dbraw/zinc/04/64/12/277046412.db2.gz XIBPLWLNNTVETL-RYUDHWBXSA-N 1 2 276.340 0.165 40 0 CCABLO C[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O ZINC000095093750 290285400 /nfs/dbraw/zinc/28/54/00/290285400.db2.gz RQBQCYOFKPNCMM-AOOOYVTPSA-N 1 2 254.330 0.984 40 0 CCABLO C[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O ZINC000095093750 290285403 /nfs/dbraw/zinc/28/54/03/290285403.db2.gz RQBQCYOFKPNCMM-AOOOYVTPSA-N 1 2 254.330 0.984 40 0 CCABLO O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CC[NH+]1CCOCC1 ZINC000035880505 304706821 /nfs/dbraw/zinc/70/68/21/304706821.db2.gz CDHBARZVCPOXLR-MPZDIEGVSA-N 1 2 276.336 0.126 40 0 CCABLO O=C(C[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)NCc1ccco1 ZINC000247957356 334292509 /nfs/dbraw/zinc/29/25/09/334292509.db2.gz OBMBTZUUBWAZEK-MNOVXSKESA-N 1 2 277.324 0.249 40 0 CCABLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)NCc1ccco1 ZINC000247957356 334292510 /nfs/dbraw/zinc/29/25/10/334292510.db2.gz OBMBTZUUBWAZEK-MNOVXSKESA-N 1 2 277.324 0.249 40 0 CCABLO CC(C)[N@@H+]1CCN(Cc2ccncc2)C[C@H]1C(N)=O ZINC000248024502 334293445 /nfs/dbraw/zinc/29/34/45/334293445.db2.gz VWQHRTKWTVGHPN-ZDUSSCGKSA-N 1 2 262.357 0.462 40 0 CCABLO CC(C)[N@H+]1CCN(Cc2ccncc2)C[C@H]1C(N)=O ZINC000248024502 334293446 /nfs/dbraw/zinc/29/34/46/334293446.db2.gz VWQHRTKWTVGHPN-ZDUSSCGKSA-N 1 2 262.357 0.462 40 0 CCABLO CCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1[NH+]1CCCCC1 ZINC000217348102 567167323 /nfs/dbraw/zinc/16/73/23/567167323.db2.gz WAMNHAKKTLYHNX-WDEREUQCSA-N 1 2 274.386 0.164 40 0 CCABLO COC[C@H]1C[N@H+](Cc2cnn(C)c2)Cc2nnn(C)c21 ZINC000096060601 185081536 /nfs/dbraw/zinc/08/15/36/185081536.db2.gz FYUNQRLYCDYPMD-LLVKDONJSA-N 1 2 276.344 0.294 40 0 CCABLO COC[C@H]1C[N@@H+](Cc2cnn(C)c2)Cc2nnn(C)c21 ZINC000096060601 185081537 /nfs/dbraw/zinc/08/15/37/185081537.db2.gz FYUNQRLYCDYPMD-LLVKDONJSA-N 1 2 276.344 0.294 40 0 CCABLO COCCNC(=O)[C@H]1C[C@H]2[C@H](CCN2c2cccc[nH+]2)O1 ZINC000096063805 185084425 /nfs/dbraw/zinc/08/44/25/185084425.db2.gz BIMPGBMPJUQLJZ-RWMBFGLXSA-N 1 2 291.351 0.580 40 0 CCABLO O=C(C1[C@@H]2CCCC[C@H]12)N(CCO)CC[NH+]1CCOCC1 ZINC000095441405 349611725 /nfs/dbraw/zinc/61/17/25/349611725.db2.gz PQFXTEKRBJGRHS-YIONKMFJSA-N 1 2 296.411 0.576 40 0 CCABLO CC(=O)N1CC(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)C1 ZINC000019747505 348069411 /nfs/dbraw/zinc/06/94/11/348069411.db2.gz WQWQJVBFXNHHCN-GFCCVEGCSA-N 1 2 276.340 0.466 40 0 CCABLO [NH3+]c1ccc(N2CC[NH+](CCO)CC2)c(C(=O)[O-])c1 ZINC000058013950 348620554 /nfs/dbraw/zinc/62/05/54/348620554.db2.gz JJAJYKKJZGOIOX-UHFFFAOYSA-N 1 2 265.313 0.081 40 0 CCABLO Cc1cc(N2CCC[C@@H](CCNS(C)(=O)=O)C2)nc[nH+]1 ZINC000072369028 348921863 /nfs/dbraw/zinc/92/18/63/348921863.db2.gz MBFORCOWRUWQNI-LBPRGKRZSA-N 1 2 298.412 0.941 40 0 CCABLO C[C@H](c1ccccn1)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000282104031 353393377 /nfs/dbraw/zinc/39/33/77/353393377.db2.gz PKHXXSVEZWCKGJ-CHWSQXEVSA-N 1 2 292.383 0.261 40 0 CCABLO C[C@H](c1ccccn1)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000282104031 353393383 /nfs/dbraw/zinc/39/33/83/353393383.db2.gz PKHXXSVEZWCKGJ-CHWSQXEVSA-N 1 2 292.383 0.261 40 0 CCABLO C[C@H](c1ccccn1)[N@@H+]1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000282104031 353393385 /nfs/dbraw/zinc/39/33/85/353393385.db2.gz PKHXXSVEZWCKGJ-CHWSQXEVSA-N 1 2 292.383 0.261 40 0 CCABLO C[C@H](c1ccccn1)[N@H+]1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000282104031 353393390 /nfs/dbraw/zinc/39/33/90/353393390.db2.gz PKHXXSVEZWCKGJ-CHWSQXEVSA-N 1 2 292.383 0.261 40 0 CCABLO CNc1cc(-c2cccnc2)[nH+]c(N[C@@H](C)CO)n1 ZINC000329020840 202154498 /nfs/dbraw/zinc/15/44/98/202154498.db2.gz ODPHSTKMEBMQKX-VIFPVBQESA-N 1 2 259.313 0.217 40 0 CCABLO CNC(=O)CC[C@]1(OC)CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000585275694 359258364 /nfs/dbraw/zinc/25/83/64/359258364.db2.gz IDUFHFVJIQLINL-CQSZACIVSA-N 1 2 280.372 0.917 40 0 CCABLO CNC(=O)CC[C@]1(OC)CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000585275694 359258368 /nfs/dbraw/zinc/25/83/68/359258368.db2.gz IDUFHFVJIQLINL-CQSZACIVSA-N 1 2 280.372 0.917 40 0 CCABLO CCOC[C@@H]1Cc2c([nH+]cn2C)CN1S(C)(=O)=O ZINC000585094968 359247394 /nfs/dbraw/zinc/24/73/94/359247394.db2.gz XPCWGZFQBLOMSA-VIFPVBQESA-N 1 2 273.358 0.143 40 0 CCABLO COC[C@@]1(CC(=O)N(C)C)CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000585277344 359259537 /nfs/dbraw/zinc/25/95/37/359259537.db2.gz UXZKOUFKHIXDHZ-CQSZACIVSA-N 1 2 296.371 0.105 40 0 CCABLO CO[C@H]1C[N@H+](Cc2ncc[nH]2)C[C@@H]1CC(=O)N1CCCC1 ZINC000585275437 359256412 /nfs/dbraw/zinc/25/64/12/359256412.db2.gz DYDKFHOTSSWIGJ-STQMWFEESA-N 1 2 292.383 0.869 40 0 CCABLO CO[C@H]1C[N@@H+](Cc2ncc[nH]2)C[C@@H]1CC(=O)N1CCCC1 ZINC000585275437 359256416 /nfs/dbraw/zinc/25/64/16/359256416.db2.gz DYDKFHOTSSWIGJ-STQMWFEESA-N 1 2 292.383 0.869 40 0 CCABLO CO[C@@H]1COC[C@@H](N(C)C(=O)CCn2cc[nH+]c2)[C@@H]1OC ZINC000585287998 359262274 /nfs/dbraw/zinc/26/22/74/359262274.db2.gz LCWFZRYYTPRCEQ-BZPMIXESSA-N 1 2 297.355 0.160 40 0 CCABLO CC(=O)N1CC[N@H+](Cc2cccc(F)c2)C[C@H]1C(N)=O ZINC000257208395 190012379 /nfs/dbraw/zinc/01/23/79/190012379.db2.gz BLZXOEVINVUVPJ-ZDUSSCGKSA-N 1 2 279.315 0.344 40 0 CCABLO CC(=O)N1CC[N@@H+](Cc2cccc(F)c2)C[C@H]1C(N)=O ZINC000257208395 190012380 /nfs/dbraw/zinc/01/23/80/190012380.db2.gz BLZXOEVINVUVPJ-ZDUSSCGKSA-N 1 2 279.315 0.344 40 0 CCABLO c1c[nH+]c(CN2CCOC[C@H](Cc3cnccn3)C2)[nH]1 ZINC000257214173 190013144 /nfs/dbraw/zinc/01/31/44/190013144.db2.gz CKXADKSBSBHQOG-GFCCVEGCSA-N 1 2 273.340 0.891 40 0 CCABLO c1c[nH]c(C[N@H+]2CCOC[C@H](Cc3cnccn3)C2)n1 ZINC000257214173 190013145 /nfs/dbraw/zinc/01/31/45/190013145.db2.gz CKXADKSBSBHQOG-GFCCVEGCSA-N 1 2 273.340 0.891 40 0 CCABLO c1c[nH]c(C[N@@H+]2CCOC[C@H](Cc3cnccn3)C2)n1 ZINC000257214173 190013146 /nfs/dbraw/zinc/01/31/46/190013146.db2.gz CKXADKSBSBHQOG-GFCCVEGCSA-N 1 2 273.340 0.891 40 0 CCABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)CN2CCCC2=O)[nH+]1 ZINC000257220661 190014805 /nfs/dbraw/zinc/01/48/05/190014805.db2.gz DLPUHNHZTJFJLZ-NSHDSACASA-N 1 2 292.339 0.240 40 0 CCABLO CCCn1cc(C[N@@H+]2CCO[C@](C)(C(N)=O)C2)cn1 ZINC000257253274 190020854 /nfs/dbraw/zinc/02/08/54/190020854.db2.gz JYFLIDQZCGOPCR-ZDUSSCGKSA-N 1 2 266.345 0.369 40 0 CCABLO CCCn1cc(C[N@H+]2CCO[C@](C)(C(N)=O)C2)cn1 ZINC000257253274 190020855 /nfs/dbraw/zinc/02/08/55/190020855.db2.gz JYFLIDQZCGOPCR-ZDUSSCGKSA-N 1 2 266.345 0.369 40 0 CCABLO Cc1cn(C)c([C@@H]2CCN(C(=O)CN3CCCC3=O)C2)[nH+]1 ZINC000257252739 190020885 /nfs/dbraw/zinc/02/08/85/190020885.db2.gz JVZDSQVUNRDWPO-GFCCVEGCSA-N 1 2 290.367 0.667 40 0 CCABLO CNc1cc(CC[C@H]2C[N@H+](CC(=O)[O-])CCO2)cc[nH+]1 ZINC000257278391 190025221 /nfs/dbraw/zinc/02/52/21/190025221.db2.gz OCBGRGBZRUIZDR-LBPRGKRZSA-N 1 2 279.340 0.841 40 0 CCABLO CNc1cc(CC[C@H]2C[N@@H+](CC(=O)[O-])CCO2)cc[nH+]1 ZINC000257278391 190025222 /nfs/dbraw/zinc/02/52/22/190025222.db2.gz OCBGRGBZRUIZDR-LBPRGKRZSA-N 1 2 279.340 0.841 40 0 CCABLO COC[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2cnccn2)C1 ZINC000096059093 285312624 /nfs/dbraw/zinc/31/26/24/285312624.db2.gz BECNCWUMRVMHSY-LLVKDONJSA-N 1 2 287.323 0.592 40 0 CCABLO Cc1cc(C)nc(N2CC[N@H+](C)[C@H](C(=O)N(C)C)C2)n1 ZINC000072369205 388961568 /nfs/dbraw/zinc/96/15/68/388961568.db2.gz SWJKZRVXFNZKBJ-LBPRGKRZSA-N 1 2 277.372 0.302 40 0 CCABLO Cc1cc(C)nc(N2CC[N@@H+](C)[C@H](C(=O)N(C)C)C2)n1 ZINC000072369205 388961571 /nfs/dbraw/zinc/96/15/71/388961571.db2.gz SWJKZRVXFNZKBJ-LBPRGKRZSA-N 1 2 277.372 0.302 40 0 CCABLO CS(=O)(=O)N1CC[C@@H]2[C@@H]1CCN2c1cccc[nH+]1 ZINC000096184491 389048449 /nfs/dbraw/zinc/04/84/49/389048449.db2.gz SRYMEXQQEZSLLI-MNOVXSKESA-N 1 2 267.354 0.694 40 0 CCABLO COc1cccc([C@H]([NH3+])c2nnc(Cn3cncn3)[nH]2)c1 ZINC000095533546 389043004 /nfs/dbraw/zinc/04/30/04/389043004.db2.gz VOZAOVURDMGOKT-LBPRGKRZSA-N 1 2 285.311 0.501 40 0 CCABLO COC[C@@H]1CN(S(=O)(=O)C2CC2)Cc2c[nH+]cn21 ZINC000247815284 389243339 /nfs/dbraw/zinc/24/33/39/389243339.db2.gz AUIWCZLUKMSWDM-JTQLQIEISA-N 1 2 271.342 0.378 40 0 CCABLO Cc1cc(NC(=O)CC[N@@H+]2C[C@H](F)C[C@H]2C(N)=O)no1 ZINC000284606135 196095572 /nfs/dbraw/zinc/09/55/72/196095572.db2.gz AEFRKZVVUAMVBS-BDAKNGLRSA-N 1 2 284.291 0.209 40 0 CCABLO Cc1cc(NC(=O)CC[N@H+]2C[C@H](F)C[C@H]2C(N)=O)no1 ZINC000284606135 196095573 /nfs/dbraw/zinc/09/55/73/196095573.db2.gz AEFRKZVVUAMVBS-BDAKNGLRSA-N 1 2 284.291 0.209 40 0 CCABLO COC(=O)[C@H]1C[C@H](NC(=O)OCc2ccccc2)C[NH2+]1 ZINC000039952278 174176818 /nfs/dbraw/zinc/17/68/18/174176818.db2.gz MDYGFJHMKWJTTE-NWDGAFQWSA-N 1 2 278.308 0.816 40 0 CCABLO Cc1nccc(C[N@@H+]2CCO[C@@](C)(C(=O)N(C)C)C2)n1 ZINC000072379739 176386495 /nfs/dbraw/zinc/38/64/95/176386495.db2.gz YWQDGDLEFJTDIM-CQSZACIVSA-N 1 2 278.356 0.464 40 0 CCABLO Cc1nccc(C[N@H+]2CCO[C@@](C)(C(=O)N(C)C)C2)n1 ZINC000072379739 176386496 /nfs/dbraw/zinc/38/64/96/176386496.db2.gz YWQDGDLEFJTDIM-CQSZACIVSA-N 1 2 278.356 0.464 40 0 CCABLO Cc1nccc(C[N@@H+]2CCO[C@](C)(C(=O)N(C)C)C2)n1 ZINC000072379740 176386682 /nfs/dbraw/zinc/38/66/82/176386682.db2.gz YWQDGDLEFJTDIM-AWEZNQCLSA-N 1 2 278.356 0.464 40 0 CCABLO Cc1nccc(C[N@H+]2CCO[C@](C)(C(=O)N(C)C)C2)n1 ZINC000072379740 176386683 /nfs/dbraw/zinc/38/66/83/176386683.db2.gz YWQDGDLEFJTDIM-AWEZNQCLSA-N 1 2 278.356 0.464 40 0 CCABLO Cc1cn[nH]c1[C@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC000257254561 302330059 /nfs/dbraw/zinc/33/00/59/302330059.db2.gz KDQMUHPMXKIVPZ-GFCCVEGCSA-N 1 2 278.356 0.714 40 0 CCABLO CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2[N@@H+]1C ZINC000096054212 349616574 /nfs/dbraw/zinc/61/65/74/349616574.db2.gz GQDZIMVSLMEDAB-GARJFASQSA-N 1 2 277.324 0.170 40 0 CCABLO CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2[N@H+]1C ZINC000096054212 349616575 /nfs/dbraw/zinc/61/65/75/349616575.db2.gz GQDZIMVSLMEDAB-GARJFASQSA-N 1 2 277.324 0.170 40 0 CCABLO CNC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2N1C ZINC000096182479 349618389 /nfs/dbraw/zinc/61/83/89/349618389.db2.gz RJDUYCSMNJLNFV-MXWKQRLJSA-N 1 2 280.397 0.394 40 0 CCABLO CNC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2N1C ZINC000096182479 349618391 /nfs/dbraw/zinc/61/83/91/349618391.db2.gz RJDUYCSMNJLNFV-MXWKQRLJSA-N 1 2 280.397 0.394 40 0 CCABLO Cc1cc(NC(=O)C[N@H+]2CCC[C@]2(C)C(=O)N(C)C)no1 ZINC000019746764 348069335 /nfs/dbraw/zinc/06/93/35/348069335.db2.gz VZFPMQMKFSNVDM-CQSZACIVSA-N 1 2 294.355 0.864 40 0 CCABLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@]2(C)C(=O)N(C)C)no1 ZINC000019746764 348069336 /nfs/dbraw/zinc/06/93/36/348069336.db2.gz VZFPMQMKFSNVDM-CQSZACIVSA-N 1 2 294.355 0.864 40 0 CCABLO S=C(NCC[NH+]1CCOCC1)NCc1ccco1 ZINC000020097919 348077128 /nfs/dbraw/zinc/07/71/28/348077128.db2.gz NVCVPUSZGMLKMQ-UHFFFAOYSA-N 1 2 269.370 0.576 40 0 CCABLO CCC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057061615 348601640 /nfs/dbraw/zinc/60/16/40/348601640.db2.gz RUXVCJMWGYBVJR-UHFFFAOYSA-N 1 2 263.345 0.125 40 0 CCABLO CCC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCCCC1 ZINC000064805792 348704490 /nfs/dbraw/zinc/70/44/90/348704490.db2.gz WAMNHAKKTLYHNX-QWRGUYRKSA-N 1 2 274.386 0.164 40 0 CCABLO COc1cc(NC(=S)NCC[NH+]2CCOCC2)ncn1 ZINC000225183631 352000908 /nfs/dbraw/zinc/00/09/08/352000908.db2.gz ISGKYJOPFMJPAB-UHFFFAOYSA-N 1 2 297.384 0.104 40 0 CCABLO C[N@@H+]1CCN(S(C)(=O)=O)C[C@H]1c1ccccc1 ZINC000243479867 352307933 /nfs/dbraw/zinc/30/79/33/352307933.db2.gz NNYYRBPADJUOLC-LBPRGKRZSA-N 1 2 254.355 0.935 40 0 CCABLO C[N@H+]1CCN(S(C)(=O)=O)C[C@H]1c1ccccc1 ZINC000243479867 352307936 /nfs/dbraw/zinc/30/79/36/352307936.db2.gz NNYYRBPADJUOLC-LBPRGKRZSA-N 1 2 254.355 0.935 40 0 CCABLO CO[C@@H]1Cn2nccc2C[N@H+](CC(=O)N2CCCC2)C1 ZINC000247839136 352426000 /nfs/dbraw/zinc/42/60/00/352426000.db2.gz KHCWXKOHHMWZRU-ZDUSSCGKSA-N 1 2 278.356 0.336 40 0 CCABLO CO[C@@H]1Cn2nccc2C[N@@H+](CC(=O)N2CCCC2)C1 ZINC000247839136 352426004 /nfs/dbraw/zinc/42/60/04/352426004.db2.gz KHCWXKOHHMWZRU-ZDUSSCGKSA-N 1 2 278.356 0.336 40 0 CCABLO Cc1nc([C@@H]2COCC[NH2+]2)cc(N2CCC(O)CC2)n1 ZINC000257269378 352551555 /nfs/dbraw/zinc/55/15/55/352551555.db2.gz MPSGXARUBJQCJL-ZDUSSCGKSA-N 1 2 278.356 0.407 40 0 CCABLO Cn1ncc2c1ncnc2-n1ncc2c1nc[nH+]c2N ZINC000003852676 282848236 /nfs/dbraw/zinc/84/82/36/282848236.db2.gz AODWRCBKSKPVFN-UHFFFAOYSA-N 1 2 267.256 0.074 40 0 CCABLO Cc1noc(C)c1CN1Cc2[nH+]cn(C)c2C[C@H]1CO ZINC000585094880 359245715 /nfs/dbraw/zinc/24/57/15/359245715.db2.gz RUPHDQAPVVZYKG-NSHDSACASA-N 1 2 276.340 0.944 40 0 CCABLO Cn1c[nH+]c2c1C[C@@H](CO)N(C(=O)[C@H]1CCCS1)C2 ZINC000585094695 359245740 /nfs/dbraw/zinc/24/57/40/359245740.db2.gz HUVCRLBIEIZKMM-JOYOIKCWSA-N 1 2 281.381 0.561 40 0 CCABLO CS(=O)(=O)NCC[C@@H]1C[N@H+](CC2CC2)Cc2ccnn21 ZINC000585112225 359250159 /nfs/dbraw/zinc/25/01/59/359250159.db2.gz LPAMCQAAPATVRV-CYBMUJFWSA-N 1 2 298.412 0.589 40 0 CCABLO CS(=O)(=O)NCC[C@@H]1C[N@@H+](CC2CC2)Cc2ccnn21 ZINC000585112225 359250165 /nfs/dbraw/zinc/25/01/65/359250165.db2.gz LPAMCQAAPATVRV-CYBMUJFWSA-N 1 2 298.412 0.589 40 0 CCABLO CC(C)C(=O)N[C@H]1CC[N@H+](Cc2cnc[nH]2)CC[C@@H]1O ZINC000257239803 190017615 /nfs/dbraw/zinc/01/76/15/190017615.db2.gz HQVITELYNTYWBH-STQMWFEESA-N 1 2 280.372 0.507 40 0 CCABLO CC(C)C(=O)N[C@H]1CC[N@@H+](Cc2cnc[nH]2)CC[C@@H]1O ZINC000257239803 190017616 /nfs/dbraw/zinc/01/76/16/190017616.db2.gz HQVITELYNTYWBH-STQMWFEESA-N 1 2 280.372 0.507 40 0 CCABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ccc(=O)[nH]n2)[nH+]1 ZINC000257246358 190019494 /nfs/dbraw/zinc/01/94/94/190019494.db2.gz ITTMUYKVVGMSMC-JTQLQIEISA-N 1 2 289.295 0.015 40 0 CCABLO Cc1nc([C@@H]2COCCN2Cc2[nH+]ccn2C)cc(=O)[nH]1 ZINC000257262656 190022387 /nfs/dbraw/zinc/02/23/87/190022387.db2.gz LMGRUOOCKACQMY-LBPRGKRZSA-N 1 2 289.339 0.798 40 0 CCABLO CNc1nccnc1[C@H]1CN(Cc2c[nH+]cn2C)CCO1 ZINC000257288244 190027041 /nfs/dbraw/zinc/02/70/41/190027041.db2.gz PTMJYZLDFFSMKC-GFCCVEGCSA-N 1 2 288.355 0.825 40 0 CCABLO CNC(=O)[C@H]1CN(Cc2ncc[nH]2)CC[N@@H+]1C(C)C ZINC000257333624 190035707 /nfs/dbraw/zinc/03/57/07/190035707.db2.gz YCILWJWWRPRPET-LLVKDONJSA-N 1 2 265.361 0.050 40 0 CCABLO CNC(=O)[C@H]1CN(Cc2ncc[nH]2)CC[N@H+]1C(C)C ZINC000257333624 190035708 /nfs/dbraw/zinc/03/57/08/190035708.db2.gz YCILWJWWRPRPET-LLVKDONJSA-N 1 2 265.361 0.050 40 0 CCABLO COCC[N@@H+]1CCO[C@H]2CN(C(=O)c3cccs3)C[C@H]21 ZINC000096246453 389057018 /nfs/dbraw/zinc/05/70/18/389057018.db2.gz GGWNWCDGYCQHFT-NEPJUHHUSA-N 1 2 296.392 0.920 40 0 CCABLO COCC[N@H+]1CCO[C@H]2CN(C(=O)c3cccs3)C[C@H]21 ZINC000096246453 389057022 /nfs/dbraw/zinc/05/70/22/389057022.db2.gz GGWNWCDGYCQHFT-NEPJUHHUSA-N 1 2 296.392 0.920 40 0 CCABLO Cc1nc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cs1 ZINC000096248674 389057275 /nfs/dbraw/zinc/05/72/75/389057275.db2.gz NXFBBUHPJYJERQ-NEPJUHHUSA-N 1 2 253.371 0.966 40 0 CCABLO Cc1nc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cs1 ZINC000096248674 389057278 /nfs/dbraw/zinc/05/72/78/389057278.db2.gz NXFBBUHPJYJERQ-NEPJUHHUSA-N 1 2 253.371 0.966 40 0 CCABLO CC(C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H]1CCCO1 ZINC000096246482 389057334 /nfs/dbraw/zinc/05/73/34/389057334.db2.gz KJPBJUFGNXRFGU-MCIONIFRSA-N 1 2 282.384 0.733 40 0 CCABLO CC(C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H]1CCCO1 ZINC000096246482 389057337 /nfs/dbraw/zinc/05/73/37/389057337.db2.gz KJPBJUFGNXRFGU-MCIONIFRSA-N 1 2 282.384 0.733 40 0 CCABLO CCOCC(=O)N1CCc2c(C[NH+](C)C)n[nH]c2C1 ZINC000096255840 389057868 /nfs/dbraw/zinc/05/78/68/389057868.db2.gz VYWBTKNBNJUQHJ-UHFFFAOYSA-N 1 2 266.345 0.393 40 0 CCABLO COC[C@H]1C[N@H+](Cc2ccncc2)Cc2nnn(C)c21 ZINC000096060616 389044984 /nfs/dbraw/zinc/04/49/84/389044984.db2.gz ISONKBMCYSKFFH-GFCCVEGCSA-N 1 2 273.340 0.956 40 0 CCABLO COC[C@H]1C[N@@H+](Cc2ccncc2)Cc2nnn(C)c21 ZINC000096060616 389044989 /nfs/dbraw/zinc/04/49/89/389044989.db2.gz ISONKBMCYSKFFH-GFCCVEGCSA-N 1 2 273.340 0.956 40 0 CCABLO Cc1cccc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000108533810 389098197 /nfs/dbraw/zinc/09/81/97/389098197.db2.gz HFONVZVAROAEMR-KBPBESRZSA-N 1 2 275.352 0.935 40 0 CCABLO Cc1cccc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000108533810 389098201 /nfs/dbraw/zinc/09/82/01/389098201.db2.gz HFONVZVAROAEMR-KBPBESRZSA-N 1 2 275.352 0.935 40 0 CCABLO CCCS(=O)(=O)N1CCOC[C@@H]1c1[nH]cc(C)[nH+]1 ZINC000205686170 389130310 /nfs/dbraw/zinc/13/03/10/389130310.db2.gz SFKDBPNFGWDFMY-SNVBAGLBSA-N 1 2 273.358 0.831 40 0 CCABLO CCOCC(=O)N1CCOC[C@H]1c1[nH]cc(C)[nH+]1 ZINC000257273785 286023074 /nfs/dbraw/zinc/02/30/74/286023074.db2.gz NIEDLAWDJDPFPU-JTQLQIEISA-N 1 2 253.302 0.655 40 0 CCABLO Cc1cc(=O)[nH]c([C@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000072361138 176377110 /nfs/dbraw/zinc/37/71/10/176377110.db2.gz HGAHXSHDRIJHJI-VIFPVBQESA-N 1 2 250.302 0.155 40 0 CCABLO Cc1cc(=O)[nH]c([C@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000072361138 176377111 /nfs/dbraw/zinc/37/71/11/176377111.db2.gz HGAHXSHDRIJHJI-VIFPVBQESA-N 1 2 250.302 0.155 40 0 CCABLO COc1ccccc1[C@H]1CN(CCO)CC[N@@H+]1C ZINC000072366574 176381643 /nfs/dbraw/zinc/38/16/43/176381643.db2.gz VZAUDEDPWRTWOU-CYBMUJFWSA-N 1 2 250.342 0.976 40 0 CCABLO COc1ccccc1[C@H]1CN(CCO)CC[N@H+]1C ZINC000072366574 176381645 /nfs/dbraw/zinc/38/16/45/176381645.db2.gz VZAUDEDPWRTWOU-CYBMUJFWSA-N 1 2 250.342 0.976 40 0 CCABLO CC(C)[N@@H+]1CCN(Cc2ccncc2)C[C@@H]1C(N)=O ZINC000072367939 176382679 /nfs/dbraw/zinc/38/26/79/176382679.db2.gz VWQHRTKWTVGHPN-CYBMUJFWSA-N 1 2 262.357 0.462 40 0 CCABLO CC(C)[N@H+]1CCN(Cc2ccncc2)C[C@@H]1C(N)=O ZINC000072367939 176382680 /nfs/dbraw/zinc/38/26/80/176382680.db2.gz VWQHRTKWTVGHPN-CYBMUJFWSA-N 1 2 262.357 0.462 40 0 CCABLO CC(=O)N1CCc2[nH+]cn(C)c2[C@@H]1C(=O)N1CCCC1 ZINC000096147190 278060984 /nfs/dbraw/zinc/06/09/84/278060984.db2.gz MPIQEBHURUCAAK-CYBMUJFWSA-N 1 2 276.340 0.488 40 0 CCABLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[NH2+]C1(COC1)CO2 ZINC000306145542 278409329 /nfs/dbraw/zinc/40/93/29/278409329.db2.gz IEGCIFBJESMTDP-AWEZNQCLSA-N 1 2 284.356 0.755 40 0 CCABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cncnc2)[nH+]1 ZINC000257328436 301024649 /nfs/dbraw/zinc/02/46/49/301024649.db2.gz XFQAQLDMKFFAJN-NSHDSACASA-N 1 2 273.296 0.722 40 0 CCABLO Cc1cc(=O)[nH]c([C@]2(C)CCC[N@@H+]2CC(N)=O)n1 ZINC000257237918 301375412 /nfs/dbraw/zinc/37/54/12/301375412.db2.gz HIUAKFDCFNCVMG-LBPRGKRZSA-N 1 2 250.302 0.287 40 0 CCABLO Cc1cc(=O)[nH]c([C@]2(C)CCC[N@H+]2CC(N)=O)n1 ZINC000257237918 301375416 /nfs/dbraw/zinc/37/54/16/301375416.db2.gz HIUAKFDCFNCVMG-LBPRGKRZSA-N 1 2 250.302 0.287 40 0 CCABLO Cc1cnn(CC(=O)N2CCOC[C@H]2c2[nH]cc(C)[nH+]2)c1 ZINC000257314035 302399500 /nfs/dbraw/zinc/39/95/00/302399500.db2.gz UVCADBVKJRTOPC-LBPRGKRZSA-N 1 2 289.339 0.823 40 0 CCABLO O=C1CO[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]2N1CC1CC1 ZINC000096054260 185075831 /nfs/dbraw/zinc/07/58/31/185075831.db2.gz ZYYMIXUSKIAKGG-HUUCEWRRSA-N 1 2 287.363 0.903 40 0 CCABLO O=C1CO[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]2N1CC1CC1 ZINC000096054260 185075833 /nfs/dbraw/zinc/07/58/33/185075833.db2.gz ZYYMIXUSKIAKGG-HUUCEWRRSA-N 1 2 287.363 0.903 40 0 CCABLO C[NH+](C)Cc1noc2c1CN(C(=O)c1cnccn1)CC2 ZINC000096084813 185091901 /nfs/dbraw/zinc/09/19/01/185091901.db2.gz YZEIKYZCANXURP-UHFFFAOYSA-N 1 2 287.323 0.725 40 0 CCABLO C[N@H+](Cc1cncnc1)[C@@H]1CN(C(N)=O)[C@@H]2CCCO[C@H]12 ZINC000096064588 349616630 /nfs/dbraw/zinc/61/66/30/349616630.db2.gz UPPKOOGIBZTVJY-UPJWGTAASA-N 1 2 291.355 0.219 40 0 CCABLO C[N@@H+](Cc1cncnc1)[C@@H]1CN(C(N)=O)[C@@H]2CCCO[C@H]12 ZINC000096064588 349616634 /nfs/dbraw/zinc/61/66/34/349616634.db2.gz UPPKOOGIBZTVJY-UPJWGTAASA-N 1 2 291.355 0.219 40 0 CCABLO COC(=O)[C@H](O)[C@@H]1c2ccccc2[N+](=O)C1C(=O)OC ZINC000001590404 347958017 /nfs/dbraw/zinc/95/80/17/347958017.db2.gz CAIXDWSEGYEVLC-MWLCHTKSSA-N 1 2 279.248 0.074 40 0 CCABLO Cc1ccn2cc(C(=O)NCC[NH+]3CCOCC3)nc2c1 ZINC000020081925 348076716 /nfs/dbraw/zinc/07/67/16/348076716.db2.gz UUZMGPHPJLBZIU-UHFFFAOYSA-N 1 2 288.351 0.705 40 0 CCABLO C[N@H+](Cc1cccc(F)c1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000037487587 348189716 /nfs/dbraw/zinc/18/97/16/348189716.db2.gz HMCBKQZSQXAHGE-RYUDHWBXSA-N 1 2 273.329 0.415 40 0 CCABLO C[N@@H+](Cc1cccc(F)c1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000037487587 348189717 /nfs/dbraw/zinc/18/97/17/348189717.db2.gz HMCBKQZSQXAHGE-RYUDHWBXSA-N 1 2 273.329 0.415 40 0 CCABLO CC(=O)NC1CC[NH+](CC(=O)Nc2nccs2)CC1 ZINC000050991271 348482729 /nfs/dbraw/zinc/48/27/29/348482729.db2.gz XJYONMUDEZEFAG-UHFFFAOYSA-N 1 2 282.369 0.682 40 0 CCABLO CSc1ncc(C[NH2+][C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cn1 ZINC000218761587 351962195 /nfs/dbraw/zinc/96/21/95/351962195.db2.gz AIQYEBRXQJNBJI-SNVBAGLBSA-N 1 2 293.352 0.707 40 0 CCABLO CSc1ncc(C[NH2+][C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cn1 ZINC000218761587 351962197 /nfs/dbraw/zinc/96/21/97/351962197.db2.gz AIQYEBRXQJNBJI-SNVBAGLBSA-N 1 2 293.352 0.707 40 0 CCABLO CCOC(=O)C[N@@H+]1[C@H]2C[C@@H](O)C[C@@H]1C[C@H](C(=O)OCC)C2 ZINC000245224406 352316623 /nfs/dbraw/zinc/31/66/23/352316623.db2.gz WCDRGGYHUBTALP-CZWJUEIWSA-N 1 2 299.367 0.717 40 0 CCABLO CCOC(=O)C[N@H+]1[C@H]2C[C@@H](O)C[C@@H]1C[C@H](C(=O)OCC)C2 ZINC000245224406 352316625 /nfs/dbraw/zinc/31/66/25/352316625.db2.gz WCDRGGYHUBTALP-CZWJUEIWSA-N 1 2 299.367 0.717 40 0 CCABLO COCC[C@H]1COCC[N@@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC000329575165 354258280 /nfs/dbraw/zinc/25/82/80/354258280.db2.gz AZTQDTWGIIOEOC-STQMWFEESA-N 1 2 291.413 0.549 40 0 CCABLO COCC[C@H]1COCC[N@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC000329575165 354258283 /nfs/dbraw/zinc/25/82/83/354258283.db2.gz AZTQDTWGIIOEOC-STQMWFEESA-N 1 2 291.413 0.549 40 0 CCABLO COC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)c1cc(C)no1 ZINC000585094781 359245654 /nfs/dbraw/zinc/24/56/54/359245654.db2.gz MOVHCRUXHCKFHJ-JTQLQIEISA-N 1 2 290.323 0.930 40 0 CCABLO Cc1cncc(C(=O)N2Cc3[nH+]cn(C)c3C[C@H]2CO)c1 ZINC000585094592 359246651 /nfs/dbraw/zinc/24/66/51/359246651.db2.gz DDPNYIXKABIMEJ-LBPRGKRZSA-N 1 2 286.335 0.683 40 0 CCABLO COC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)c1ccn(C)n1 ZINC000585094966 359248510 /nfs/dbraw/zinc/24/85/10/359248510.db2.gz XNCNOGZUASARHT-SNVBAGLBSA-N 1 2 289.339 0.367 40 0 CCABLO CNC(=O)[C@@H]1COC2(CN(C(C)C)C2)C[N@@H+]1CC1CC1 ZINC000585109207 359249352 /nfs/dbraw/zinc/24/93/52/359249352.db2.gz CWGKWGREUNTIRP-ZDUSSCGKSA-N 1 2 281.400 0.306 40 0 CCABLO CNC(=O)[C@@H]1COC2(CN(C(C)C)C2)C[N@H+]1CC1CC1 ZINC000585109207 359249356 /nfs/dbraw/zinc/24/93/56/359249356.db2.gz CWGKWGREUNTIRP-ZDUSSCGKSA-N 1 2 281.400 0.306 40 0 CCABLO CS(=O)(=O)NC[C@H]1C[N@@H+](C2CCCC2)Cc2ccnn21 ZINC000585111783 359250010 /nfs/dbraw/zinc/25/00/10/359250010.db2.gz HCQCLOLFQJDAGT-ZDUSSCGKSA-N 1 2 298.412 0.732 40 0 CCABLO CS(=O)(=O)NC[C@H]1C[N@H+](C2CCCC2)Cc2ccnn21 ZINC000585111783 359250013 /nfs/dbraw/zinc/25/00/13/359250013.db2.gz HCQCLOLFQJDAGT-ZDUSSCGKSA-N 1 2 298.412 0.732 40 0 CCABLO CCCn1ccnc1C[N@@H+]1C[C@H](O)[C@@H](CC(=O)NC)C1 ZINC000585276732 359257851 /nfs/dbraw/zinc/25/78/51/359257851.db2.gz HXSLWQCZSLCMEU-RYUDHWBXSA-N 1 2 280.372 0.222 40 0 CCABLO CCCn1ccnc1C[N@H+]1C[C@H](O)[C@@H](CC(=O)NC)C1 ZINC000585276732 359257855 /nfs/dbraw/zinc/25/78/55/359257855.db2.gz HXSLWQCZSLCMEU-RYUDHWBXSA-N 1 2 280.372 0.222 40 0 CCABLO CN(C)C(=O)[C@@]1(C)C[N@H+](Cc2cncnc2)CCO1 ZINC000257223503 190014755 /nfs/dbraw/zinc/01/47/55/190014755.db2.gz DXQCOWWZKURBAK-CYBMUJFWSA-N 1 2 264.329 0.156 40 0 CCABLO CN(C)C(=O)[C@@]1(C)C[N@@H+](Cc2cncnc2)CCO1 ZINC000257223503 190014756 /nfs/dbraw/zinc/01/47/56/190014756.db2.gz DXQCOWWZKURBAK-CYBMUJFWSA-N 1 2 264.329 0.156 40 0 CCABLO Cc1ccc(S(=O)(=O)Cc2noc(C[NH3+])n2)cc1 ZINC000248017465 389244001 /nfs/dbraw/zinc/24/40/01/389244001.db2.gz LEJKMBNFDMVOIQ-UHFFFAOYSA-N 1 2 267.310 0.811 40 0 CCABLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)N(C)C)C2)no1 ZINC000072348518 176373783 /nfs/dbraw/zinc/37/37/83/176373783.db2.gz MVWRDXAWYIBOBG-JTQLQIEISA-N 1 2 252.318 0.646 40 0 CCABLO Cc1nc([C@H]2CCC[N@H+](CC(=O)N(C)C)C2)no1 ZINC000072348518 176373785 /nfs/dbraw/zinc/37/37/85/176373785.db2.gz MVWRDXAWYIBOBG-JTQLQIEISA-N 1 2 252.318 0.646 40 0 CCABLO NC(=O)C[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC000072373424 176384663 /nfs/dbraw/zinc/38/46/63/176384663.db2.gz XYEAKQRNAYDSOM-UHFFFAOYSA-N 1 2 252.289 0.594 40 0 CCABLO Cn1cc[nH+]c1CN1CC(c2nn(C)c3nccnc23)C1 ZINC000072385847 176390453 /nfs/dbraw/zinc/39/04/53/176390453.db2.gz WXWYSTJIUSVXEQ-UHFFFAOYSA-N 1 2 283.339 0.696 40 0 CCABLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccnnc3)C[C@@H]21 ZINC000108526140 186220990 /nfs/dbraw/zinc/22/09/90/186220990.db2.gz JWXCRPOLUWXXDU-RYUDHWBXSA-N 1 2 262.313 0.022 40 0 CCABLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccnnc3)C[C@@H]21 ZINC000108526140 186220992 /nfs/dbraw/zinc/22/09/92/186220992.db2.gz JWXCRPOLUWXXDU-RYUDHWBXSA-N 1 2 262.313 0.022 40 0 CCABLO CCOC[C@H]1CN(c2ccc3nncn3n2)Cc2c[nH+]cn21 ZINC000306126246 354173137 /nfs/dbraw/zinc/17/31/37/354173137.db2.gz DQSIMMBSGLWBIS-GFCCVEGCSA-N 1 2 299.338 0.919 40 0 CCABLO CN(C)C(=O)CC[C@]1(O)CCC[N@H+](Cc2nccn2C)C1 ZINC000585276910 359258538 /nfs/dbraw/zinc/25/85/38/359258538.db2.gz SQMWXDQCZDSLNJ-OAHLLOKOSA-N 1 2 294.399 0.615 40 0 CCABLO CN(C)C(=O)CC[C@]1(O)CCC[N@@H+](Cc2nccn2C)C1 ZINC000585276910 359258544 /nfs/dbraw/zinc/25/85/44/359258544.db2.gz SQMWXDQCZDSLNJ-OAHLLOKOSA-N 1 2 294.399 0.615 40 0 CCABLO CC(=O)c1ccc(N(C)C[C@@H](O)C[NH+]2CCOCC2)nc1 ZINC000181210241 189291193 /nfs/dbraw/zinc/29/11/93/189291193.db2.gz MRQUWSFAUNNKGN-CQSZACIVSA-N 1 2 293.367 0.414 40 0 CCABLO c1c[nH+]c(CN2CCOC[C@@H](Cc3cnccn3)C2)[nH]1 ZINC000257214174 190013533 /nfs/dbraw/zinc/01/35/33/190013533.db2.gz CKXADKSBSBHQOG-LBPRGKRZSA-N 1 2 273.340 0.891 40 0 CCABLO c1c[nH]c(C[N@H+]2CCOC[C@@H](Cc3cnccn3)C2)n1 ZINC000257214174 190013534 /nfs/dbraw/zinc/01/35/34/190013534.db2.gz CKXADKSBSBHQOG-LBPRGKRZSA-N 1 2 273.340 0.891 40 0 CCABLO c1c[nH]c(C[N@@H+]2CCOC[C@@H](Cc3cnccn3)C2)n1 ZINC000257214174 190013535 /nfs/dbraw/zinc/01/35/35/190013535.db2.gz CKXADKSBSBHQOG-LBPRGKRZSA-N 1 2 273.340 0.891 40 0 CCABLO Cc1c[nH]c([C@H]2COCCN2C(=O)CN2CCCC2=O)[nH+]1 ZINC000257220660 190014467 /nfs/dbraw/zinc/01/44/67/190014467.db2.gz DLPUHNHZTJFJLZ-LLVKDONJSA-N 1 2 292.339 0.240 40 0 CCABLO Cc1nc([C@@H]2C[N@H+](Cc3cnn(C)c3)CCO2)cc(=O)[nH]1 ZINC000257308152 190030998 /nfs/dbraw/zinc/03/09/98/190030998.db2.gz TVPYLAFSQWZTBQ-ZDUSSCGKSA-N 1 2 289.339 0.798 40 0 CCABLO Cc1nc([C@@H]2C[N@@H+](Cc3cnn(C)c3)CCO2)cc(=O)[nH]1 ZINC000257308152 190030999 /nfs/dbraw/zinc/03/09/99/190030999.db2.gz TVPYLAFSQWZTBQ-ZDUSSCGKSA-N 1 2 289.339 0.798 40 0 CCABLO CNC(=O)[C@@H]1CN(c2nc(C)cc(C)n2)CC[N@@H+]1C(C)C ZINC000072369204 388961387 /nfs/dbraw/zinc/96/13/87/388961387.db2.gz IRQTVJUZWALJKD-ZDUSSCGKSA-N 1 2 291.399 0.738 40 0 CCABLO CNC(=O)[C@@H]1CN(c2nc(C)cc(C)n2)CC[N@H+]1C(C)C ZINC000072369204 388961391 /nfs/dbraw/zinc/96/13/91/388961391.db2.gz IRQTVJUZWALJKD-ZDUSSCGKSA-N 1 2 291.399 0.738 40 0 CCABLO C[N@@H+]1CCC[C@@](C)(c2n[nH]cc2S(C)(=O)=O)C1 ZINC000072388696 388961589 /nfs/dbraw/zinc/96/15/89/388961589.db2.gz LVMJHBNTHJLFEV-LLVKDONJSA-N 1 2 257.359 0.797 40 0 CCABLO C[N@H+]1CCC[C@@](C)(c2n[nH]cc2S(C)(=O)=O)C1 ZINC000072388696 388961591 /nfs/dbraw/zinc/96/15/91/388961591.db2.gz LVMJHBNTHJLFEV-LLVKDONJSA-N 1 2 257.359 0.797 40 0 CCABLO CC(C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H]1CCCO1 ZINC000096246481 389057178 /nfs/dbraw/zinc/05/71/78/389057178.db2.gz KJPBJUFGNXRFGU-MJBXVCDLSA-N 1 2 282.384 0.733 40 0 CCABLO CC(C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H]1CCCO1 ZINC000096246481 389057181 /nfs/dbraw/zinc/05/71/81/389057181.db2.gz KJPBJUFGNXRFGU-MJBXVCDLSA-N 1 2 282.384 0.733 40 0 CCABLO C[NH+](C)Cc1n[nH]c2c1CCN(C(=O)c1ccc[nH]1)C2 ZINC000096255841 389058021 /nfs/dbraw/zinc/05/80/21/389058021.db2.gz PRFSBVLFJVYVHG-UHFFFAOYSA-N 1 2 273.340 0.998 40 0 CCABLO CC(C)[N@@H+]1CCO[C@H]2CN(S(=O)(=O)C3CC3)C[C@H]21 ZINC000096054290 389043421 /nfs/dbraw/zinc/04/34/21/389043421.db2.gz NFDIGRJGBINNIW-NEPJUHHUSA-N 1 2 274.386 0.272 40 0 CCABLO CC(C)[N@H+]1CCO[C@H]2CN(S(=O)(=O)C3CC3)C[C@H]21 ZINC000096054290 389043425 /nfs/dbraw/zinc/04/34/25/389043425.db2.gz NFDIGRJGBINNIW-NEPJUHHUSA-N 1 2 274.386 0.272 40 0 CCABLO COc1ccccc1C[N@@H+]1CCN(C(C)=O)[C@@H](C(N)=O)C1 ZINC000257278560 389269232 /nfs/dbraw/zinc/26/92/32/389269232.db2.gz OCSCLLJPKUCLIA-CYBMUJFWSA-N 1 2 291.351 0.213 40 0 CCABLO COc1ccccc1C[N@H+]1CCN(C(C)=O)[C@@H](C(N)=O)C1 ZINC000257278560 389269236 /nfs/dbraw/zinc/26/92/36/389269236.db2.gz OCSCLLJPKUCLIA-CYBMUJFWSA-N 1 2 291.351 0.213 40 0 CCABLO CC[N@H+](Cc1ccc(C)cc1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000575420080 390839339 /nfs/dbraw/zinc/83/93/39/390839339.db2.gz FJUBMSVJPYFOIP-ZIAGYGMSSA-N 1 2 283.393 0.975 40 0 CCABLO CC[N@@H+](Cc1ccc(C)cc1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000575420080 390839341 /nfs/dbraw/zinc/83/93/41/390839341.db2.gz FJUBMSVJPYFOIP-ZIAGYGMSSA-N 1 2 283.393 0.975 40 0 CCABLO O=S1(=O)CC[C@H]([N@@H+](Cc2ccccc2)C[C@@H](O)CO)C1 ZINC000575420170 390839553 /nfs/dbraw/zinc/83/95/53/390839553.db2.gz GPRXXTHRNDEIDZ-UONOGXRCSA-N 1 2 299.392 0.029 40 0 CCABLO O=S1(=O)CC[C@H]([N@H+](Cc2ccccc2)C[C@@H](O)CO)C1 ZINC000575420170 390839554 /nfs/dbraw/zinc/83/95/54/390839554.db2.gz GPRXXTHRNDEIDZ-UONOGXRCSA-N 1 2 299.392 0.029 40 0 CCABLO CN1C=[NH+]c2c(ncn2[C@@H]2CC[C@@H](CO)O2)[C@@H]1O ZINC000005883809 170149917 /nfs/dbraw/zinc/14/99/17/170149917.db2.gz YWTQNDFEJJIOOG-LAEOZQHASA-N 1 2 252.274 0.149 40 0 CCABLO O=C(NCCCn1cc[nH+]c1)C(=O)NCc1ccccc1 ZINC000006110456 170176454 /nfs/dbraw/zinc/17/64/54/170176454.db2.gz ZVWFARKKWVTRSC-UHFFFAOYSA-N 1 2 286.335 0.706 40 0 CCABLO NC(=O)c1ccc(NCC[NH+]2CCOCC2)c(N)c1 ZINC000035330806 172129982 /nfs/dbraw/zinc/12/99/82/172129982.db2.gz DDXUKSQZCYNUBM-UHFFFAOYSA-N 1 2 264.329 0.112 40 0 CCABLO CC(=O)N1CC[NH2+][C@@H](C(=O)N2CCCCCC2)C1 ZINC000257250977 278044767 /nfs/dbraw/zinc/04/47/67/278044767.db2.gz JOUVCZHKTYJQSV-GFCCVEGCSA-N 1 2 253.346 0.209 40 0 CCABLO CNC(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3cc(C)on3)C[C@@H]2O1 ZINC000096043223 185070577 /nfs/dbraw/zinc/07/05/77/185070577.db2.gz VHTOKPZJYWOMRP-UHTWSYAYSA-N 1 2 279.340 0.708 40 0 CCABLO CNC(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3cc(C)on3)C[C@@H]2O1 ZINC000096043223 185070579 /nfs/dbraw/zinc/07/05/79/185070579.db2.gz VHTOKPZJYWOMRP-UHTWSYAYSA-N 1 2 279.340 0.708 40 0 CCABLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)OC(C)(C)C ZINC000016697872 348049738 /nfs/dbraw/zinc/04/97/38/348049738.db2.gz OAFFPKBXWFPANL-SECBINFHSA-N 1 2 258.318 0.758 40 0 CCABLO CCCn1nccc1C(=O)NCC[NH+]1CCOCC1 ZINC000028242498 348105817 /nfs/dbraw/zinc/10/58/17/348105817.db2.gz JKVGWQVDSZWDKY-UHFFFAOYSA-N 1 2 266.345 0.355 40 0 CCABLO C/C=C/C(=O)OCC[NH+]1CCN(C(=O)/C=C/C)CC1 ZINC000031624099 348126419 /nfs/dbraw/zinc/12/64/19/348126419.db2.gz IQWHNNBAGUABQB-GGWOSOGESA-N 1 2 266.341 0.826 40 0 CCABLO CCOC(=O)[C@@H]([NH3+])[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000026893870 348095359 /nfs/dbraw/zinc/09/53/59/348095359.db2.gz CEEHCOWSYFANRT-WDEREUQCSA-N 1 2 287.337 0.014 40 0 CCABLO CCNC(=S)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000044241695 348316822 /nfs/dbraw/zinc/31/68/22/348316822.db2.gz ZRKAWZULHYQHSN-UHFFFAOYSA-N 1 2 294.428 0.083 40 0 CCABLO CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1[NH+]1CCCCC1 ZINC000217359473 351946517 /nfs/dbraw/zinc/94/65/17/351946517.db2.gz DCAKIWRRWIMBKS-GHMZBOCLSA-N 1 2 290.385 0.384 40 0 CCABLO CNc1ncc(C[NH2+][C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cn1 ZINC000218760535 351961603 /nfs/dbraw/zinc/96/16/03/351961603.db2.gz GGQDPNBTXXLOKR-SNVBAGLBSA-N 1 2 276.300 0.027 40 0 CCABLO CNc1ncc(C[NH2+][C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cn1 ZINC000218760535 351961607 /nfs/dbraw/zinc/96/16/07/351961607.db2.gz GGQDPNBTXXLOKR-SNVBAGLBSA-N 1 2 276.300 0.027 40 0 CCABLO CNC(=O)[C@H]1CN(C(=O)c2ccoc2)Cc2c[nH+]cn21 ZINC000247942836 352428438 /nfs/dbraw/zinc/42/84/38/352428438.db2.gz JAWJJQPFMRIRDB-LLVKDONJSA-N 1 2 274.280 0.419 40 0 CCABLO C[N@H+](Cc1cccc(F)c1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000250220865 352503648 /nfs/dbraw/zinc/50/36/48/352503648.db2.gz HMCBKQZSQXAHGE-NWDGAFQWSA-N 1 2 273.329 0.415 40 0 CCABLO C[N@@H+](Cc1cccc(F)c1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000250220865 352503649 /nfs/dbraw/zinc/50/36/49/352503649.db2.gz HMCBKQZSQXAHGE-NWDGAFQWSA-N 1 2 273.329 0.415 40 0 CCABLO CC(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NC2CC(F)(F)C2)C1 ZINC000306138367 354172802 /nfs/dbraw/zinc/17/28/02/354172802.db2.gz RVXYTYCBDHVJDJ-LLVKDONJSA-N 1 2 298.293 0.700 40 0 CCABLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)CCC2CC2)C1 ZINC000335170655 354978434 /nfs/dbraw/zinc/97/84/34/354978434.db2.gz PCVHAORTBCCZNL-LLVKDONJSA-N 1 2 264.366 0.750 40 0 CCABLO CO[C@]1(CCC(N)=O)CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000585275215 359256687 /nfs/dbraw/zinc/25/66/87/359256687.db2.gz ALCVXBFURJSLMN-ZDUSSCGKSA-N 1 2 266.345 0.656 40 0 CCABLO CO[C@]1(CCC(N)=O)CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000585275215 359256689 /nfs/dbraw/zinc/25/66/89/359256689.db2.gz ALCVXBFURJSLMN-ZDUSSCGKSA-N 1 2 266.345 0.656 40 0 CCABLO COCC[C@H]1COCC[N@@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC000329575163 202391411 /nfs/dbraw/zinc/39/14/11/202391411.db2.gz AZTQDTWGIIOEOC-OLZOCXBDSA-N 1 2 291.413 0.549 40 0 CCABLO COCC[C@H]1COCC[N@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC000329575163 202391414 /nfs/dbraw/zinc/39/14/14/202391414.db2.gz AZTQDTWGIIOEOC-OLZOCXBDSA-N 1 2 291.413 0.549 40 0 CCABLO CNc1nccnc1[C@H]1CN(Cc2[nH+]ccn2C)CCO1 ZINC000257259459 190021840 /nfs/dbraw/zinc/02/18/40/190021840.db2.gz KYMNXGHXGPDLDK-LLVKDONJSA-N 1 2 288.355 0.825 40 0 CCABLO O=C(CCn1cc[nH+]c1)N1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257274369 190024849 /nfs/dbraw/zinc/02/48/49/190024849.db2.gz NKSXKJWRBZAPBF-JSGCOSHPSA-N 1 2 279.340 0.416 40 0 CCABLO CN1C(=O)CO[C@@H]2CC[N@@H+](Cc3ncccc3F)C[C@@H]21 ZINC000257297122 190029598 /nfs/dbraw/zinc/02/95/98/190029598.db2.gz RFYRCLQFWKYUAS-QWHCGFSZSA-N 1 2 279.315 0.652 40 0 CCABLO CN1C(=O)CO[C@@H]2CC[N@H+](Cc3ncccc3F)C[C@@H]21 ZINC000257297122 190029599 /nfs/dbraw/zinc/02/95/99/190029599.db2.gz RFYRCLQFWKYUAS-QWHCGFSZSA-N 1 2 279.315 0.652 40 0 CCABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CCN(Cc2c[nH+]c[nH]2)C1 ZINC000257316351 190032920 /nfs/dbraw/zinc/03/29/20/190032920.db2.gz VFENRTOQLIPQNS-VIFPVBQESA-N 1 2 295.368 0.526 40 0 CCABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CCN(Cc2c[nH]c[nH+]2)C1 ZINC000257316351 190032921 /nfs/dbraw/zinc/03/29/21/190032921.db2.gz VFENRTOQLIPQNS-VIFPVBQESA-N 1 2 295.368 0.526 40 0 CCABLO C[NH+](C)[C@@H]1CN(C(=O)c2[nH]nc3ccccc32)C[C@H]1O ZINC000257315945 190033093 /nfs/dbraw/zinc/03/30/93/190033093.db2.gz VDKNHFXRKHIHJN-VXGBXAGGSA-N 1 2 274.324 0.310 40 0 CCABLO Cc1c[nH]c([C@@H]2CCN(S(=O)(=O)N(C)C)C2)[nH+]1 ZINC000257332166 190035894 /nfs/dbraw/zinc/03/58/94/190035894.db2.gz XWBFZCLOAALYRR-SECBINFHSA-N 1 2 258.347 0.314 40 0 CCABLO CNC(=O)CN1CC[N@H+](C)[C@H](c2ccc(OC)cc2)C1 ZINC000257322764 389269204 /nfs/dbraw/zinc/26/92/04/389269204.db2.gz WHIDZQYXYQTHMU-AWEZNQCLSA-N 1 2 277.368 0.730 40 0 CCABLO CNC(=O)CN1CC[N@@H+](C)[C@H](c2ccc(OC)cc2)C1 ZINC000257322764 389269207 /nfs/dbraw/zinc/26/92/07/389269207.db2.gz WHIDZQYXYQTHMU-AWEZNQCLSA-N 1 2 277.368 0.730 40 0 CCABLO Cc1cc2[nH+]cn([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2cc1C ZINC000000895884 292026359 /nfs/dbraw/zinc/02/63/59/292026359.db2.gz HLRUKOJSWOKCPP-REWJHTLYSA-N 1 2 278.308 0.265 40 0 CCABLO COc1ccc(NC(=O)C[C@H]2[NH2+]CCNC2=O)cc1Cl ZINC000008209210 170324618 /nfs/dbraw/zinc/32/46/18/170324618.db2.gz ZMQHZFDFXMSGRE-SNVBAGLBSA-N 1 2 297.742 0.765 40 0 CCABLO O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1CC[NH+]1CCOCC1 ZINC000017007568 304719996 /nfs/dbraw/zinc/71/99/96/304719996.db2.gz CDHBARZVCPOXLR-RNJOBUHISA-N 1 2 276.336 0.126 40 0 CCABLO COC[C@@H]1CN(C(=O)C2CCOCC2)Cc2c[nH+]cn21 ZINC000247897935 352426781 /nfs/dbraw/zinc/42/67/81/352426781.db2.gz VEJSSEGBSAFCIE-ZDUSSCGKSA-N 1 2 279.340 0.839 40 0 CCABLO O=C(Nc1nncs1)[C@H]1CN(c2cccc[nH+]2)CCO1 ZINC000257327868 352552826 /nfs/dbraw/zinc/55/28/26/352552826.db2.gz XDCJEUVTOKKUAQ-SECBINFHSA-N 1 2 291.336 0.777 40 0 CCABLO CC(C)Nc1cc(-c2cccnc2)[nH+]c(N[C@@H](C)CO)n1 ZINC000329005342 202150316 /nfs/dbraw/zinc/15/03/16/202150316.db2.gz KXZXXFMIVQOWAO-NSHDSACASA-N 1 2 287.367 0.995 40 0 CCABLO Cn1c[nH+]c2c1C[C@H](CO)N(C(=O)[C@H]1CCCS1)C2 ZINC000585094693 359246053 /nfs/dbraw/zinc/24/60/53/359246053.db2.gz HUVCRLBIEIZKMM-BXKDBHETSA-N 1 2 281.381 0.561 40 0 CCABLO CNC(=O)[C@H]1CN(C(=O)C2CCC2)Cc2c[nH+]cn21 ZINC000585095992 359247569 /nfs/dbraw/zinc/24/75/69/359247569.db2.gz IZPVSTYBMZOLJG-LLVKDONJSA-N 1 2 262.313 0.313 40 0 CCABLO O=C(CCCn1cc[nH+]c1)N1CCOC[C@@H]1c1cc[nH]n1 ZINC000257209091 190012659 /nfs/dbraw/zinc/01/26/59/190012659.db2.gz BOXABRZUPZRQSM-CYBMUJFWSA-N 1 2 289.339 0.987 40 0 CCABLO CCCn1cc[nH+]c1CN1CCO[C@@](C)(C(=O)N(C)C)C1 ZINC000257214861 190013478 /nfs/dbraw/zinc/01/34/78/190013478.db2.gz CNSUAVLHKAYADA-OAHLLOKOSA-N 1 2 294.399 0.972 40 0 CCABLO Cc1cn(C)c([C@H]2CCN(C(=O)CN3CCCC3=O)C2)[nH+]1 ZINC000257252740 190020625 /nfs/dbraw/zinc/02/06/25/190020625.db2.gz JVZDSQVUNRDWPO-LBPRGKRZSA-N 1 2 290.367 0.667 40 0 CCABLO CNC(=O)[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1C(C)=O ZINC000257277081 190025354 /nfs/dbraw/zinc/02/53/54/190025354.db2.gz NWIVMZIINQYWRC-AWEZNQCLSA-N 1 2 293.342 0.604 40 0 CCABLO CNC(=O)[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1C(C)=O ZINC000257277081 190025355 /nfs/dbraw/zinc/02/53/55/190025355.db2.gz NWIVMZIINQYWRC-AWEZNQCLSA-N 1 2 293.342 0.604 40 0 CCABLO CC(=O)N1CC[NH2+][C@@H](C(=O)Nc2ccc(F)cc2)C1 ZINC000257279104 190025536 /nfs/dbraw/zinc/02/55/36/190025536.db2.gz OFAMDHMMAWILSP-GFCCVEGCSA-N 1 2 265.288 0.585 40 0 CCABLO CNc1cc(CC[C@@H]2C[N@H+](CC(=O)[O-])CCO2)cc[nH+]1 ZINC000257278390 190025624 /nfs/dbraw/zinc/02/56/24/190025624.db2.gz OCBGRGBZRUIZDR-GFCCVEGCSA-N 1 2 279.340 0.841 40 0 CCABLO CNc1cc(CC[C@@H]2C[N@@H+](CC(=O)[O-])CCO2)cc[nH+]1 ZINC000257278390 190025625 /nfs/dbraw/zinc/02/56/25/190025625.db2.gz OCBGRGBZRUIZDR-GFCCVEGCSA-N 1 2 279.340 0.841 40 0 CCABLO Cc1c[nH]c([C@H]2CCN(S(=O)(=O)N3CCCC3)C2)[nH+]1 ZINC000257306020 190031442 /nfs/dbraw/zinc/03/14/42/190031442.db2.gz SSNGXFKVYZBCSB-NSHDSACASA-N 1 2 284.385 0.848 40 0 CCABLO Cc1cn(C)c([C@@H]2CCCN(S(C)(=O)=O)C2)[nH+]1 ZINC000257311345 190031732 /nfs/dbraw/zinc/03/17/32/190031732.db2.gz UJAFBQRURKVWIM-SNVBAGLBSA-N 1 2 257.359 0.868 40 0 CCABLO CCc1[nH]c(CN2CC[C@H]3OCC(=O)N[C@H]3C2)c(C)[nH+]1 ZINC000257319763 190033142 /nfs/dbraw/zinc/03/31/42/190033142.db2.gz VTYXOQSFYUFGTJ-NWDGAFQWSA-N 1 2 278.356 0.370 40 0 CCABLO CCc1nc(C)c(C[N@@H+]2CC[C@H]3OCC(=O)N[C@H]3C2)[nH]1 ZINC000257319763 190033143 /nfs/dbraw/zinc/03/31/43/190033143.db2.gz VTYXOQSFYUFGTJ-NWDGAFQWSA-N 1 2 278.356 0.370 40 0 CCABLO CCc1nc(C)c(C[N@H+]2CC[C@H]3OCC(=O)N[C@H]3C2)[nH]1 ZINC000257319763 190033144 /nfs/dbraw/zinc/03/31/44/190033144.db2.gz VTYXOQSFYUFGTJ-NWDGAFQWSA-N 1 2 278.356 0.370 40 0 CCABLO CN(C)C(=O)c1cnc2n1CCN(Cc1[nH+]ccn1C)C2 ZINC000096198641 389050316 /nfs/dbraw/zinc/05/03/16/389050316.db2.gz WPKLVRGFYLSMSP-UHFFFAOYSA-N 1 2 288.355 0.334 40 0 CCABLO C[C@@H]1[NH2+]CCn2cc(C(=O)N3CC(F)(F)C3)nc21 ZINC000306123376 389090304 /nfs/dbraw/zinc/09/03/04/389090304.db2.gz ALRGOSJSWGGPJC-ZETCQYMHSA-N 1 2 256.256 0.638 40 0 CCABLO COC(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C[NH2+]1 ZINC000039952279 174177025 /nfs/dbraw/zinc/17/70/25/174177025.db2.gz MDYGFJHMKWJTTE-VXGBXAGGSA-N 1 2 278.308 0.816 40 0 CCABLO Cc1cc(-n2cc[nH+]c2)nc(C2CN(S(C)(=O)=O)C2)n1 ZINC000072382909 176388011 /nfs/dbraw/zinc/38/80/11/176388011.db2.gz AAXWNHAALUCNAP-UHFFFAOYSA-N 1 2 293.352 0.330 40 0 CCABLO CC(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)N2CCCCO2)C1 ZINC000247937695 277020863 /nfs/dbraw/zinc/02/08/63/277020863.db2.gz LVLWQBPSWLNRME-GFCCVEGCSA-N 1 2 278.312 0.340 40 0 CCABLO CN1CCN(C(=O)c2cnccn2)Cc2ccc[nH+]c21 ZINC000096060915 277100173 /nfs/dbraw/zinc/10/01/73/277100173.db2.gz QQDQBERMWASMMT-UHFFFAOYSA-N 1 2 269.308 0.964 40 0 CCABLO CNC(=O)[C@@H]1C[C@@H]2CC[N@H+](Cc3cc(C)on3)C[C@H]2O1 ZINC000096066198 185084007 /nfs/dbraw/zinc/08/40/07/185084007.db2.gz VHTOKPZJYWOMRP-WCFLWFBJSA-N 1 2 279.340 0.708 40 0 CCABLO CNC(=O)[C@@H]1C[C@@H]2CC[N@@H+](Cc3cc(C)on3)C[C@H]2O1 ZINC000096066198 185084009 /nfs/dbraw/zinc/08/40/09/185084009.db2.gz VHTOKPZJYWOMRP-WCFLWFBJSA-N 1 2 279.340 0.708 40 0 CCABLO CN(C)C(=O)c1n[nH]c2c1C[N@@H+](C1CCOCC1)CC2 ZINC000096066586 185084895 /nfs/dbraw/zinc/08/48/95/185084895.db2.gz SCHIVYIXFVQARY-UHFFFAOYSA-N 1 2 278.356 0.649 40 0 CCABLO CN(C)C(=O)c1n[nH]c2c1C[N@H+](C1CCOCC1)CC2 ZINC000096066586 185084896 /nfs/dbraw/zinc/08/48/96/185084896.db2.gz SCHIVYIXFVQARY-UHFFFAOYSA-N 1 2 278.356 0.649 40 0 CCABLO CNC(=O)C[N@@H+]1CC[C@]12CCN(C(=O)c1cccn1C)C2 ZINC000096076014 185090377 /nfs/dbraw/zinc/09/03/77/185090377.db2.gz IQJZRVHKVGLLIL-HNNXBMFYSA-N 1 2 290.367 0.062 40 0 CCABLO CNC(=O)C[N@H+]1CC[C@]12CCN(C(=O)c1cccn1C)C2 ZINC000096076014 185090378 /nfs/dbraw/zinc/09/03/78/185090378.db2.gz IQJZRVHKVGLLIL-HNNXBMFYSA-N 1 2 290.367 0.062 40 0 CCABLO O=C(COc1ccccc1F)NCC[NH+]1CCOCC1 ZINC000027772764 348102291 /nfs/dbraw/zinc/10/22/91/348102291.db2.gz CQCMXLQLGNUWFF-UHFFFAOYSA-N 1 2 282.315 0.653 40 0 CCABLO CNC(=O)c1cccc([C@@H]2C[N@H+](C)CCN2C(C)=O)c1 ZINC000072366543 348920748 /nfs/dbraw/zinc/92/07/48/348920748.db2.gz IVOABUJUHBSZPR-AWEZNQCLSA-N 1 2 275.352 0.881 40 0 CCABLO CNC(=O)c1cccc([C@@H]2C[N@@H+](C)CCN2C(C)=O)c1 ZINC000072366543 348920751 /nfs/dbraw/zinc/92/07/51/348920751.db2.gz IVOABUJUHBSZPR-AWEZNQCLSA-N 1 2 275.352 0.881 40 0 CCABLO COC(=O)/C=C/c1[nH+]cn(C)c1C[C@@H](O)C(C)(C)O ZINC000225404245 352003872 /nfs/dbraw/zinc/00/38/72/352003872.db2.gz HKSAAHVGSJQFHP-MVIFTORASA-N 1 2 268.313 0.281 40 0 biogenic,in-vitro CCABLO CNC(=O)[C@@H]1CN(Cc2scnc2C)Cc2c[nH+]cn21 ZINC000248073475 352431494 /nfs/dbraw/zinc/43/14/94/352431494.db2.gz ZCQNZKGFMZTZMX-NSHDSACASA-N 1 2 291.380 0.951 40 0 CCABLO O=C(C[C@H]1C[N@@H+](Cc2ncc[nH]2)C[C@@H]1O)N1CCCC1 ZINC000585277401 359259347 /nfs/dbraw/zinc/25/93/47/359259347.db2.gz WBHANMHBVZZIOW-RYUDHWBXSA-N 1 2 278.356 0.215 40 0 CCABLO O=C(C[C@H]1C[N@H+](Cc2ncc[nH]2)C[C@@H]1O)N1CCCC1 ZINC000585277401 359259350 /nfs/dbraw/zinc/25/93/50/359259350.db2.gz WBHANMHBVZZIOW-RYUDHWBXSA-N 1 2 278.356 0.215 40 0 CCABLO CCS(=O)(=O)N(C)C[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257205783 190011183 /nfs/dbraw/zinc/01/11/83/190011183.db2.gz BANRASLDEXPYOM-CYBMUJFWSA-N 1 2 299.396 0.304 40 0 CCABLO CCCCc1[nH]c(CN2C[C@@H](O)[C@H](NC(C)=O)C2)c[nH+]1 ZINC000257238710 190017818 /nfs/dbraw/zinc/01/78/18/190017818.db2.gz HMELFEVUOBDKQJ-CHWSQXEVSA-N 1 2 280.372 0.434 40 0 CCABLO CCCCc1[nH]cc(CN2C[C@@H](O)[C@H](NC(C)=O)C2)[nH+]1 ZINC000257238710 190017819 /nfs/dbraw/zinc/01/78/19/190017819.db2.gz HMELFEVUOBDKQJ-CHWSQXEVSA-N 1 2 280.372 0.434 40 0 CCABLO CCCCN[C@]1(N(C)C)N=C(N(C)C)[NH+]=C(N(C)C)O1 ZINC000019319137 388792128 /nfs/dbraw/zinc/79/21/28/388792128.db2.gz HZQWEUCVKYKBEV-CYBMUJFWSA-N 1 2 284.408 0.414 40 0 CCABLO CS(=O)(=O)N1Cc2[nH+]ccn2C[C@H](COCC2CC2)C1 ZINC000096187930 389047845 /nfs/dbraw/zinc/04/78/45/389047845.db2.gz ZJVQJTNDLVEHGY-LBPRGKRZSA-N 1 2 299.396 0.701 40 0 CCABLO CC[N@@H+]1CC(=O)NC[C@]12CCN(c1ncc(C)cn1)C2 ZINC000096238261 389055039 /nfs/dbraw/zinc/05/50/39/389055039.db2.gz UTJVEIOXNZCSOK-AWEZNQCLSA-N 1 2 275.356 0.186 40 0 CCABLO CC[N@H+]1CC(=O)NC[C@]12CCN(c1ncc(C)cn1)C2 ZINC000096238261 389055041 /nfs/dbraw/zinc/05/50/41/389055041.db2.gz UTJVEIOXNZCSOK-AWEZNQCLSA-N 1 2 275.356 0.186 40 0 CCABLO CNC(=O)C[N@@H+]1CCc2c(c(COCC3CC3)nn2C)C1 ZINC000096259810 389058078 /nfs/dbraw/zinc/05/80/78/389058078.db2.gz SRLMYUJCBCCMAE-UHFFFAOYSA-N 1 2 292.383 0.451 40 0 CCABLO CNC(=O)C[N@H+]1CCc2c(c(COCC3CC3)nn2C)C1 ZINC000096259810 389058082 /nfs/dbraw/zinc/05/80/82/389058082.db2.gz SRLMYUJCBCCMAE-UHFFFAOYSA-N 1 2 292.383 0.451 40 0 CCABLO Cc1cnc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cn1 ZINC000108528365 389098245 /nfs/dbraw/zinc/09/82/45/389098245.db2.gz OAFTVCOVTLBXNU-STQMWFEESA-N 1 2 276.340 0.330 40 0 CCABLO Cc1cnc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cn1 ZINC000108528365 389098247 /nfs/dbraw/zinc/09/82/47/389098247.db2.gz OAFTVCOVTLBXNU-STQMWFEESA-N 1 2 276.340 0.330 40 0 CCABLO OCC[NH+](CCO)Cc1nnc2ccc3ccccc3n21 ZINC000005338615 170087488 /nfs/dbraw/zinc/08/74/88/170087488.db2.gz VZZBMESSIGLJLO-UHFFFAOYSA-N 1 2 286.335 0.669 40 0 CCABLO CC(=O)c1ccc(OC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000020347348 171154718 /nfs/dbraw/zinc/15/47/18/171154718.db2.gz SSSRBUFYSWCOQT-CQSZACIVSA-N 1 2 279.336 0.961 40 0 aggregator CCABLO Cc1nc([C@@H]2CCC[N@@H+]2CCO)ncc1C(N)=O ZINC000072351958 176374034 /nfs/dbraw/zinc/37/40/34/176374034.db2.gz OASJMJSLCFHPCJ-JTQLQIEISA-N 1 2 250.302 0.013 40 0 CCABLO Cc1nc([C@@H]2CCC[N@H+]2CCO)ncc1C(N)=O ZINC000072351958 176374035 /nfs/dbraw/zinc/37/40/35/176374035.db2.gz OASJMJSLCFHPCJ-JTQLQIEISA-N 1 2 250.302 0.013 40 0 CCABLO Cn1cc[nH+]c1CNC(=O)[C@H]1CCN(c2ncccn2)C1 ZINC000072352824 176374556 /nfs/dbraw/zinc/37/45/56/176374556.db2.gz SMMLZUSQWHQZKA-NSHDSACASA-N 1 2 286.339 0.353 40 0 CCABLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cc(CCO)n[nH]3)C2)cn1 ZINC000072385818 176390247 /nfs/dbraw/zinc/39/02/47/176390247.db2.gz SYQFXHKOWOPXMT-CQSZACIVSA-N 1 2 291.355 0.252 40 0 CCABLO Cn1cc(C[N@H+]2CCO[C@@H](c3cc(CCO)n[nH]3)C2)cn1 ZINC000072385818 176390249 /nfs/dbraw/zinc/39/02/49/176390249.db2.gz SYQFXHKOWOPXMT-CQSZACIVSA-N 1 2 291.355 0.252 40 0 CCABLO CN(C)c1nccc(C2C[NH+](Cc3cnn(C)c3)C2)n1 ZINC000072385836 176390282 /nfs/dbraw/zinc/39/02/82/176390282.db2.gz ZBLCLGWPSFGPTI-UHFFFAOYSA-N 1 2 272.356 0.876 40 0 CCABLO Cc1cn[nH]c1[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000072385900 176391010 /nfs/dbraw/zinc/39/10/10/176391010.db2.gz QKDZWNNQMMAZMR-ZDUSSCGKSA-N 1 2 292.383 0.756 40 0 CCABLO C[N@@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000076556598 177037522 /nfs/dbraw/zinc/03/75/22/177037522.db2.gz NHZJDZJAYXRLKH-JTQLQIEISA-N 1 2 260.293 0.613 40 0 CCABLO C[N@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000076556598 177037524 /nfs/dbraw/zinc/03/75/24/177037524.db2.gz NHZJDZJAYXRLKH-JTQLQIEISA-N 1 2 260.293 0.613 40 0 CCABLO CC(=O)N[C@H]1CC[N@H+](Cc2cc(C)on2)CC[C@@H]1O ZINC000257254559 277059320 /nfs/dbraw/zinc/05/93/20/277059320.db2.gz KDQCBFVUEBASHK-STQMWFEESA-N 1 2 267.329 0.444 40 0 CCABLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C)on2)CC[C@@H]1O ZINC000257254559 277059323 /nfs/dbraw/zinc/05/93/23/277059323.db2.gz KDQCBFVUEBASHK-STQMWFEESA-N 1 2 267.329 0.444 40 0 CCABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ccnn2C)[nH+]1 ZINC000257326982 301024720 /nfs/dbraw/zinc/02/47/20/301024720.db2.gz WZIRIMXAINFOMY-NSHDSACASA-N 1 2 275.312 0.665 40 0 CCABLO O=C(CC1CCCC1)N1C[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257213230 303573700 /nfs/dbraw/zinc/57/37/00/303573700.db2.gz CGRRAZRGGSOBHI-ZIAGYGMSSA-N 1 2 282.384 0.471 40 0 CCABLO CN(C)C(=O)N1CCn2c(Cn3cccn3)c[nH+]c2C1 ZINC000096061824 185082646 /nfs/dbraw/zinc/08/26/46/185082646.db2.gz OGLTYNZEYYTTJA-UHFFFAOYSA-N 1 2 274.328 0.625 40 0 CCABLO CNc1ncccc1C[N@@H+]1CCO[C@](C)(C(=O)N(C)C)C1 ZINC000019746901 348069210 /nfs/dbraw/zinc/06/92/10/348069210.db2.gz HRAKZGPYTPEZIY-HNNXBMFYSA-N 1 2 292.383 0.802 40 0 CCABLO CNc1ncccc1C[N@H+]1CCO[C@](C)(C(=O)N(C)C)C1 ZINC000019746901 348069214 /nfs/dbraw/zinc/06/92/14/348069214.db2.gz HRAKZGPYTPEZIY-HNNXBMFYSA-N 1 2 292.383 0.802 40 0 CCABLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccccc1 ZINC000016997581 348051906 /nfs/dbraw/zinc/05/19/06/348051906.db2.gz POUMRJPRROOAGQ-GFCCVEGCSA-N 1 2 273.292 0.924 40 0 biogenic,in-vitro CCABLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccccc1 ZINC000016997581 348051908 /nfs/dbraw/zinc/05/19/08/348051908.db2.gz POUMRJPRROOAGQ-GFCCVEGCSA-N 1 2 273.292 0.924 40 0 biogenic,in-vitro CCABLO C/C=C\C(=O)OCC[NH+]1CCN(C(=O)/C=C\C)CC1 ZINC000017300811 348054018 /nfs/dbraw/zinc/05/40/18/348054018.db2.gz IQWHNNBAGUABQB-GLIMQPGKSA-N 1 2 266.341 0.826 40 0 CCABLO Cc1ccc(C[n+]2ncn3[nH]c(C)cc(=O)c32)cc1 ZINC000033941942 348148359 /nfs/dbraw/zinc/14/83/59/348148359.db2.gz FFZXQIBOQNTISI-UHFFFAOYSA-O 1 2 255.301 0.975 40 0 CCABLO CSc1nc(C)c(C[NH+]2CCOCC2)c(=O)[nH]1 ZINC000062701951 348669253 /nfs/dbraw/zinc/66/92/53/348669253.db2.gz GXSFPQGQPOTVOD-UHFFFAOYSA-N 1 2 255.343 0.632 40 0 CCABLO C[C@@H]1C[N@@H+](Cc2ccnc(N3CCOCC3)n2)C[C@H](C)O1 ZINC000072397381 348922427 /nfs/dbraw/zinc/92/24/27/348922427.db2.gz QZGYJJNJDSSZEK-BETUJISGSA-N 1 2 292.383 0.922 40 0 CCABLO C[C@@H]1C[N@H+](Cc2ccnc(N3CCOCC3)n2)C[C@H](C)O1 ZINC000072397381 348922431 /nfs/dbraw/zinc/92/24/31/348922431.db2.gz QZGYJJNJDSSZEK-BETUJISGSA-N 1 2 292.383 0.922 40 0 CCABLO Cc1ncc(C[NH2+][C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cn1 ZINC000218761171 351962052 /nfs/dbraw/zinc/96/20/52/351962052.db2.gz LSNDKLCGJHSXSX-LLVKDONJSA-N 1 2 261.285 0.294 40 0 CCABLO Cc1ncc(C[NH2+][C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cn1 ZINC000218761171 351962054 /nfs/dbraw/zinc/96/20/54/351962054.db2.gz LSNDKLCGJHSXSX-LLVKDONJSA-N 1 2 261.285 0.294 40 0 CCABLO C[N@@H+]1CCc2nc(N)c(C(=O)N3CCOCC3)cc2C1 ZINC000019700530 283174733 /nfs/dbraw/zinc/17/47/33/283174733.db2.gz WYSYMZXPXUAXEI-UHFFFAOYSA-N 1 2 276.340 0.124 40 0 CCABLO C[N@H+]1CCc2nc(N)c(C(=O)N3CCOCC3)cc2C1 ZINC000019700530 283174739 /nfs/dbraw/zinc/17/47/39/283174739.db2.gz WYSYMZXPXUAXEI-UHFFFAOYSA-N 1 2 276.340 0.124 40 0 CCABLO CO[C@H]1C[N@H+](Cc2cnc[nH]2)C[C@@H]1CC(=O)N1CCCC1 ZINC000585276557 359258492 /nfs/dbraw/zinc/25/84/92/359258492.db2.gz PQKRZGMXFAROCC-JSGCOSHPSA-N 1 2 292.383 0.869 40 0 CCABLO CO[C@H]1C[N@@H+](Cc2cnc[nH]2)C[C@@H]1CC(=O)N1CCCC1 ZINC000585276557 359258497 /nfs/dbraw/zinc/25/84/97/359258497.db2.gz PQKRZGMXFAROCC-JSGCOSHPSA-N 1 2 292.383 0.869 40 0 CCABLO Cn1c[nH+]c2c1C[C@H](CO)N(Cc1ccc(CO)cc1)C2 ZINC000585094946 359248450 /nfs/dbraw/zinc/24/84/50/359248450.db2.gz VSVMBLSBTQFZIX-CQSZACIVSA-N 1 2 287.363 0.832 40 0 CCABLO Cn1cnc2c1C[C@H](CO)[N@H+](Cc1ccc(CO)cc1)C2 ZINC000585094946 359248454 /nfs/dbraw/zinc/24/84/54/359248454.db2.gz VSVMBLSBTQFZIX-CQSZACIVSA-N 1 2 287.363 0.832 40 0 CCABLO Cn1cnc2c1C[C@H](CO)[N@@H+](Cc1ccc(CO)cc1)C2 ZINC000585094946 359248458 /nfs/dbraw/zinc/24/84/58/359248458.db2.gz VSVMBLSBTQFZIX-CQSZACIVSA-N 1 2 287.363 0.832 40 0 CCABLO CCCn1cc[nH+]c1CN(C)[C@@H]1COC[C@@H](OC)[C@H]1O ZINC000585292055 359263563 /nfs/dbraw/zinc/26/35/63/359263563.db2.gz WNADFRPEQQSYCT-BZPMIXESSA-N 1 2 283.372 0.500 40 0 CCABLO CCCn1ccnc1C[N@H+](C)[C@@H]1COC[C@@H](OC)[C@H]1O ZINC000585292055 359263566 /nfs/dbraw/zinc/26/35/66/359263566.db2.gz WNADFRPEQQSYCT-BZPMIXESSA-N 1 2 283.372 0.500 40 0 CCABLO CCCn1ccnc1C[N@@H+](C)[C@@H]1COC[C@@H](OC)[C@H]1O ZINC000585292055 359263568 /nfs/dbraw/zinc/26/35/68/359263568.db2.gz WNADFRPEQQSYCT-BZPMIXESSA-N 1 2 283.372 0.500 40 0 CCABLO Cc1c[nH]c([C@H]2CCN(C(=O)Cn3cccn3)C2)[nH+]1 ZINC000257263750 190022138 /nfs/dbraw/zinc/02/21/38/190022138.db2.gz LRGNGXPZFMFJFR-NSHDSACASA-N 1 2 259.313 0.931 40 0 CCABLO CN(C[C@]1(O)CCN(c2cccc[nH+]2)C1)C(=O)C1CC1 ZINC000257288984 190027782 /nfs/dbraw/zinc/02/77/82/190027782.db2.gz PWMTUJPETWRMNU-OAHLLOKOSA-N 1 2 275.352 0.891 40 0 CCABLO Cc1c[nH]nc1[C@H]1COCCN1C(=O)CCn1cc[nH+]c1 ZINC000257302011 389269881 /nfs/dbraw/zinc/26/98/81/389269881.db2.gz SAZGAKGNAPDVNY-GFCCVEGCSA-N 1 2 289.339 0.905 40 0 CCABLO OCC[N@@H+]1CCO[C@H](COc2ccccc2F)C1 ZINC000217486068 397434350 /nfs/dbraw/zinc/43/43/50/397434350.db2.gz LASYXQQTTSHEEK-NSHDSACASA-N 1 2 255.289 0.898 40 0 CCABLO OCC[N@H+]1CCO[C@H](COc2ccccc2F)C1 ZINC000217486068 397434359 /nfs/dbraw/zinc/43/43/59/397434359.db2.gz LASYXQQTTSHEEK-NSHDSACASA-N 1 2 255.289 0.898 40 0 CCABLO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(C)CC1 ZINC000022585738 171392504 /nfs/dbraw/zinc/39/25/04/171392504.db2.gz QBGBYKIJDHVCFQ-CYBMUJFWSA-N 1 2 253.390 0.881 40 0 CCABLO CNC(=O)[C@@]1(C)C[N@H+](Cc2ccnn2C(C)C)CCO1 ZINC000072379933 176387034 /nfs/dbraw/zinc/38/70/34/176387034.db2.gz MWCLSPPTYUOXGK-CQSZACIVSA-N 1 2 280.372 0.801 40 0 CCABLO CNC(=O)[C@@]1(C)C[N@@H+](Cc2ccnn2C(C)C)CCO1 ZINC000072379933 176387035 /nfs/dbraw/zinc/38/70/35/176387035.db2.gz MWCLSPPTYUOXGK-CQSZACIVSA-N 1 2 280.372 0.801 40 0 CCABLO COCCNc1cc([C@@H]2C[N@H+](C)CCO2)nc(C)n1 ZINC000072386654 176392079 /nfs/dbraw/zinc/39/20/79/176392079.db2.gz QVKDZJKCUHDRTG-LBPRGKRZSA-N 1 2 266.345 0.846 40 0 CCABLO COCCNc1cc([C@@H]2C[N@@H+](C)CCO2)nc(C)n1 ZINC000072386654 176392081 /nfs/dbraw/zinc/39/20/81/176392081.db2.gz QVKDZJKCUHDRTG-LBPRGKRZSA-N 1 2 266.345 0.846 40 0 CCABLO CC(C)N[C@@]1(N(C)C)N=C(N(C)C)[NH+]=C(N(C)C)O1 ZINC000019327990 279627245 /nfs/dbraw/zinc/62/72/45/279627245.db2.gz OOMMAJGEAJFYPR-LBPRGKRZSA-N 1 2 270.381 0.023 40 0 CCABLO O=C(CCn1cncn1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000426627206 534505248 /nfs/dbraw/zinc/50/52/48/534505248.db2.gz DKCOHCXEJSXAOD-GFCCVEGCSA-N 1 2 274.328 0.556 40 0 CCABLO COc1ccc([C@@H]([NH3+])c2nc(CO)n[nH]2)cc1OC ZINC000095533913 185006956 /nfs/dbraw/zinc/00/69/56/185006956.db2.gz FJRJRYDKTLRGGC-LLVKDONJSA-N 1 2 264.285 0.362 40 0 CCABLO C[C@@H](Oc1cccc(N)c1)C(=O)NCC[NH+]1CCOCC1 ZINC000041483467 348255380 /nfs/dbraw/zinc/25/53/80/348255380.db2.gz VYAVVXIGJOJGPH-GFCCVEGCSA-N 1 2 293.367 0.485 40 0 CCABLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccnc3)C[C@@H]21 ZINC000108533067 186222175 /nfs/dbraw/zinc/22/21/75/186222175.db2.gz UTRVVNFSAGVYNR-STQMWFEESA-N 1 2 261.325 0.627 40 0 CCABLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccnc3)C[C@@H]21 ZINC000108533067 186222176 /nfs/dbraw/zinc/22/21/76/186222176.db2.gz UTRVVNFSAGVYNR-STQMWFEESA-N 1 2 261.325 0.627 40 0 CCABLO CC(=O)NC[C@@H]1CN(c2cc[nH+]c3ccncc32)CCO1 ZINC000267986204 352802324 /nfs/dbraw/zinc/80/23/24/352802324.db2.gz QEDIVTLLYYGUPQ-GFCCVEGCSA-N 1 2 286.335 0.971 40 0 CCABLO CCCCc1nc(C[N@H+](C)C[C@@H]2COC[C@@H](O)[C@H]2O)c[nH]1 ZINC000585292286 359263904 /nfs/dbraw/zinc/26/39/04/359263904.db2.gz ZVAYQMLCOSRUGS-KYOSRNDESA-N 1 2 297.399 0.552 40 0 CCABLO CCCCc1nc(C[N@@H+](C)C[C@@H]2COC[C@@H](O)[C@H]2O)c[nH]1 ZINC000585292286 359263908 /nfs/dbraw/zinc/26/39/08/359263908.db2.gz ZVAYQMLCOSRUGS-KYOSRNDESA-N 1 2 297.399 0.552 40 0 CCABLO CCCCc1ncc(C[N@H+](C)C[C@@H]2COC[C@@H](O)[C@H]2O)[nH]1 ZINC000585292286 359263916 /nfs/dbraw/zinc/26/39/16/359263916.db2.gz ZVAYQMLCOSRUGS-KYOSRNDESA-N 1 2 297.399 0.552 40 0 CCABLO CCCCc1ncc(C[N@@H+](C)C[C@@H]2COC[C@@H](O)[C@H]2O)[nH]1 ZINC000585292286 359263920 /nfs/dbraw/zinc/26/39/20/359263920.db2.gz ZVAYQMLCOSRUGS-KYOSRNDESA-N 1 2 297.399 0.552 40 0 CCABLO O=C1CO[C@@H]2CC[N@@H+](Cc3ccc(Cl)cn3)C[C@@H]2N1 ZINC000257286212 190026682 /nfs/dbraw/zinc/02/66/82/190026682.db2.gz PKSWHRLWHHZJGM-NWDGAFQWSA-N 1 2 281.743 0.824 40 0 CCABLO O=C1CO[C@@H]2CC[N@H+](Cc3ccc(Cl)cn3)C[C@@H]2N1 ZINC000257286212 190026683 /nfs/dbraw/zinc/02/66/83/190026683.db2.gz PKSWHRLWHHZJGM-NWDGAFQWSA-N 1 2 281.743 0.824 40 0 CCABLO CCc1cc(C(=O)N[C@@H]2CC[C@@H](n3cc[nH+]c3)[C@@H]2O)on1 ZINC000257304766 190030066 /nfs/dbraw/zinc/03/00/66/190030066.db2.gz SNCBUYGWTNRYDW-NQBHXWOUSA-N 1 2 290.323 0.928 40 0 CCABLO CC(=O)NCc1c[nH+]c([C@@H]2CCN(c3ncccn3)C2)[nH]1 ZINC000257320005 190033823 /nfs/dbraw/zinc/03/38/23/190033823.db2.gz VUYIKNGVZCRTRY-LLVKDONJSA-N 1 2 286.339 0.830 40 0 CCABLO CC(=O)NCc1c[nH]c([C@@H]2CCN(c3ncccn3)C2)[nH+]1 ZINC000257320005 190033824 /nfs/dbraw/zinc/03/38/24/190033824.db2.gz VUYIKNGVZCRTRY-LLVKDONJSA-N 1 2 286.339 0.830 40 0 CCABLO CS(=O)(=O)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC000096207227 389052685 /nfs/dbraw/zinc/05/26/85/389052685.db2.gz WQYXEEMGDXNASS-GFCCVEGCSA-N 1 2 299.396 0.701 40 0 CCABLO Cn1nc(Cn2cccn2)c2c1C[N@@H+]([C@@H]1CCOC1)C2 ZINC000096259119 389057983 /nfs/dbraw/zinc/05/79/83/389057983.db2.gz ULYCOSNBFQBNDS-LLVKDONJSA-N 1 2 273.340 0.769 40 0 CCABLO Cn1nc(Cn2cccn2)c2c1C[N@H+]([C@@H]1CCOC1)C2 ZINC000096259119 389057986 /nfs/dbraw/zinc/05/79/86/389057986.db2.gz ULYCOSNBFQBNDS-LLVKDONJSA-N 1 2 273.340 0.769 40 0 CCABLO CNC(=O)CN1CCc2c(C[N@H+](C)C(C)C)n[nH]c2C1 ZINC000096255844 389058132 /nfs/dbraw/zinc/05/81/32/389058132.db2.gz QFDPRWAHMDFQSR-UHFFFAOYSA-N 1 2 279.388 0.354 40 0 CCABLO CNC(=O)CN1CCc2c(C[N@@H+](C)C(C)C)n[nH]c2C1 ZINC000096255844 389058134 /nfs/dbraw/zinc/05/81/34/389058134.db2.gz QFDPRWAHMDFQSR-UHFFFAOYSA-N 1 2 279.388 0.354 40 0 CCABLO CC(C)C[N@@H+]1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC000096066704 389044861 /nfs/dbraw/zinc/04/48/61/389044861.db2.gz VTTRLFSJKGMZJR-UHFFFAOYSA-N 1 2 278.356 0.854 40 0 CCABLO CC(C)C[N@H+]1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC000096066704 389044868 /nfs/dbraw/zinc/04/48/68/389044868.db2.gz VTTRLFSJKGMZJR-UHFFFAOYSA-N 1 2 278.356 0.854 40 0 CCABLO COc1cccc(F)c1C[N@@H+]1C[C@@H]2OCC(=O)N(C)[C@H]2C1 ZINC000257299782 389269553 /nfs/dbraw/zinc/26/95/53/389269553.db2.gz RROSSMDRPWPBRH-JSGCOSHPSA-N 1 2 294.326 0.876 40 0 CCABLO COc1cccc(F)c1C[N@H+]1C[C@@H]2OCC(=O)N(C)[C@H]2C1 ZINC000257299782 389269556 /nfs/dbraw/zinc/26/95/56/389269556.db2.gz RROSSMDRPWPBRH-JSGCOSHPSA-N 1 2 294.326 0.876 40 0 CCABLO NC(=O)CSC1=[NH+][C@@H]2C=Cc3nsnc3[C@@H]2N1 ZINC000006613364 170218681 /nfs/dbraw/zinc/21/86/81/170218681.db2.gz VUWFSIGZWLMWLZ-CLZZGJSISA-N 1 2 267.339 0.152 40 0 CCABLO COC(=O)[C@@H]1C[C@H](NC(=O)OCc2ccccc2)C[NH2+]1 ZINC000039952192 174177312 /nfs/dbraw/zinc/17/73/12/174177312.db2.gz MDYGFJHMKWJTTE-RYUDHWBXSA-N 1 2 278.308 0.816 40 0 CCABLO Cc1cc2ncc(C(=O)N3CC[NH+](C)CC3)c(C)n2n1 ZINC000038829570 301463480 /nfs/dbraw/zinc/46/34/80/301463480.db2.gz YFYIMXYRDDXWSH-UHFFFAOYSA-N 1 2 273.340 0.734 40 0 CCABLO S=C(NCC[NH+]1CCOCC1)Nc1ccncc1 ZINC000223892609 534458325 /nfs/dbraw/zinc/45/83/25/534458325.db2.gz VNSLCCPHJBTXFY-UHFFFAOYSA-N 1 2 266.370 0.700 40 0 CCABLO CNC(=O)C1=NO[C@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC000096074486 185088138 /nfs/dbraw/zinc/08/81/38/185088138.db2.gz WBGXBJOFICTSGI-CQSZACIVSA-N 1 2 274.324 0.548 40 0 CCABLO CNC(=O)C1=NO[C@]2(CC[N@@H+](Cc3cccnc3)C2)C1 ZINC000096074486 185088139 /nfs/dbraw/zinc/08/81/39/185088139.db2.gz WBGXBJOFICTSGI-CQSZACIVSA-N 1 2 274.324 0.548 40 0 CCABLO CNC(=O)C[N@@H+]1CC[C@@]12CCN(C(=O)c1cccn1C)C2 ZINC000096076013 185090212 /nfs/dbraw/zinc/09/02/12/185090212.db2.gz IQJZRVHKVGLLIL-OAHLLOKOSA-N 1 2 290.367 0.062 40 0 CCABLO CNC(=O)C[N@H+]1CC[C@@]12CCN(C(=O)c1cccn1C)C2 ZINC000096076013 185090213 /nfs/dbraw/zinc/09/02/13/185090213.db2.gz IQJZRVHKVGLLIL-OAHLLOKOSA-N 1 2 290.367 0.062 40 0 CCABLO COC(=O)[C@@H]([NH3+])CNC(=O)OCc1ccccc1 ZINC000097062512 349625858 /nfs/dbraw/zinc/62/58/58/349625858.db2.gz NXZYGUGYCBEXAB-JTQLQIEISA-N 1 2 252.270 0.413 40 0 CCABLO Cc1cc2[nH+]cn([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c2cc1C ZINC000000895879 347952581 /nfs/dbraw/zinc/95/25/81/347952581.db2.gz HLRUKOJSWOKCPP-RFQIPJPRSA-N 1 2 278.308 0.265 40 0 CCABLO C[C@H](CNC(=O)c1cnn2cccnc12)[NH+]1CCOCC1 ZINC000019719873 348068004 /nfs/dbraw/zinc/06/80/04/348068004.db2.gz ZRZLNOVPCBTEHQ-LLVKDONJSA-N 1 2 289.339 0.180 40 0 CCABLO Cc1ccc(C(=O)NCCn2cc[nH+]c2)c(=O)n1C ZINC000019131783 348058084 /nfs/dbraw/zinc/05/80/84/348058084.db2.gz KTJNYSMMPSHMDS-UHFFFAOYSA-N 1 2 260.297 0.320 40 0 CCABLO Cc1ccc(-c2nnn(CC(=O)NCc3[nH]cc[nH+]3)n2)cc1 ZINC000019213025 348058125 /nfs/dbraw/zinc/05/81/25/348058125.db2.gz MBKGGACPNZZAFG-UHFFFAOYSA-N 1 2 297.322 0.688 40 0 CCABLO Cc1nn(C)c(C(=O)N2CC[NH+](C)CC2)c1Cl ZINC000022213405 348081275 /nfs/dbraw/zinc/08/12/75/348081275.db2.gz WVGXBMUXCFBBKK-UHFFFAOYSA-N 1 2 256.737 0.770 40 0 CCABLO CS(=O)(=O)NCC[C@H]1C[N@@H+](C2CCC2)Cc2ccnn21 ZINC000247521136 352419474 /nfs/dbraw/zinc/41/94/74/352419474.db2.gz LOGNSBWAHBSNIN-ZDUSSCGKSA-N 1 2 298.412 0.732 40 0 CCABLO CS(=O)(=O)NCC[C@H]1C[N@H+](C2CCC2)Cc2ccnn21 ZINC000247521136 352419478 /nfs/dbraw/zinc/41/94/78/352419478.db2.gz LOGNSBWAHBSNIN-ZDUSSCGKSA-N 1 2 298.412 0.732 40 0 CCABLO CC[N@H+](Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000249705774 352500487 /nfs/dbraw/zinc/50/04/87/352500487.db2.gz IHKZRZOJHPJARO-CHWSQXEVSA-N 1 2 269.366 0.666 40 0 CCABLO CC[N@@H+](Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000249705774 352500488 /nfs/dbraw/zinc/50/04/88/352500488.db2.gz IHKZRZOJHPJARO-CHWSQXEVSA-N 1 2 269.366 0.666 40 0 CCABLO CO[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@]12CCCO2 ZINC000257265167 352551659 /nfs/dbraw/zinc/55/16/59/352551659.db2.gz LXPFMSSTQMOLIS-JSGCOSHPSA-N 1 2 279.340 0.680 40 0 CCABLO COc1ncccc1CN1Cc2[nH+]cn(C)c2C[C@@H]1CO ZINC000585094699 359246363 /nfs/dbraw/zinc/24/63/63/359246363.db2.gz IMYMDGFOZKSGEU-GFCCVEGCSA-N 1 2 288.351 0.743 40 0 CCABLO CCS(=O)(=O)N1CCn2c(CCOC)c[nH+]c2[C@@H]1C ZINC000585098719 359248223 /nfs/dbraw/zinc/24/82/23/359248223.db2.gz XXOVXMLHNUMSSY-JTQLQIEISA-N 1 2 287.385 0.798 40 0 CCABLO CNC(=O)C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1OC ZINC000585289428 359262123 /nfs/dbraw/zinc/26/21/23/359262123.db2.gz QTHVKUDVNQNWCQ-YGEYTSGZSA-N 1 2 292.339 0.032 40 0 CCABLO CNC(=O)[C@]1(C)CN(c2cc[nH+]c(C)n2)CCO1 ZINC000072379710 283462498 /nfs/dbraw/zinc/46/24/98/283462498.db2.gz IRHWUQQLJOIGGX-LBPRGKRZSA-N 1 2 250.302 0.126 40 0 CCABLO O=C(N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1O)c1cnc[nH]1 ZINC000257209318 190012164 /nfs/dbraw/zinc/01/21/64/190012164.db2.gz BPWYHBKYLNPZMV-RKDXNWHRSA-N 1 2 292.261 0.137 40 0 CCABLO O=C(N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1O)c1cnc[nH]1 ZINC000257209318 190012165 /nfs/dbraw/zinc/01/21/65/190012165.db2.gz BPWYHBKYLNPZMV-RKDXNWHRSA-N 1 2 292.261 0.137 40 0 CCABLO Cc1nc([C@@H]2CN(Cc3c[nH+]cn3C)CCO2)cc(=O)[nH]1 ZINC000257265576 190023131 /nfs/dbraw/zinc/02/31/31/190023131.db2.gz LZGARWHVGZWOIK-ZDUSSCGKSA-N 1 2 289.339 0.798 40 0 CCABLO Cc1c[nH]c([C@@H]2CCCN2S(=O)(=O)c2cn[nH]c2)[nH+]1 ZINC000257259207 190021338 /nfs/dbraw/zinc/02/13/38/190021338.db2.gz KXIJXXFKQMEDQP-JTQLQIEISA-N 1 2 281.341 0.967 40 0 CCABLO Cc1c[nH]c([C@@H]2CCN(C(=O)Cn3cccn3)C2)[nH+]1 ZINC000257263749 190022541 /nfs/dbraw/zinc/02/25/41/190022541.db2.gz LRGNGXPZFMFJFR-LLVKDONJSA-N 1 2 259.313 0.931 40 0 CCABLO c1nc(C[N@H+]2CCOC[C@H](Cc3ccncn3)C2)c[nH]1 ZINC000257318882 190033726 /nfs/dbraw/zinc/03/37/26/190033726.db2.gz VPUWSCDIPZJGKL-GFCCVEGCSA-N 1 2 273.340 0.891 40 0 CCABLO c1nc(C[N@@H+]2CCOC[C@H](Cc3ccncn3)C2)c[nH]1 ZINC000257318882 190033727 /nfs/dbraw/zinc/03/37/27/190033727.db2.gz VPUWSCDIPZJGKL-GFCCVEGCSA-N 1 2 273.340 0.891 40 0 CCABLO c1ncc(C[N@H+]2CCOC[C@H](Cc3ccncn3)C2)[nH]1 ZINC000257318882 190033728 /nfs/dbraw/zinc/03/37/28/190033728.db2.gz VPUWSCDIPZJGKL-GFCCVEGCSA-N 1 2 273.340 0.891 40 0 CCABLO c1ncc(C[N@@H+]2CCOC[C@H](Cc3ccncn3)C2)[nH]1 ZINC000257318882 190033729 /nfs/dbraw/zinc/03/37/29/190033729.db2.gz VPUWSCDIPZJGKL-GFCCVEGCSA-N 1 2 273.340 0.891 40 0 CCABLO CCS(=O)(=O)N1Cc2[nH+]ccn2C[C@@H](COC)C1 ZINC000096187783 389048125 /nfs/dbraw/zinc/04/81/25/389048125.db2.gz JOGJCXCUYKWGGR-SNVBAGLBSA-N 1 2 273.358 0.311 40 0 CCABLO NC(=O)N1CCc2[nH+]cc(CNC(=O)C3CCC3)n2CC1 ZINC000096197069 389050616 /nfs/dbraw/zinc/05/06/16/389050616.db2.gz NVLVPCGCNAKDEE-UHFFFAOYSA-N 1 2 291.355 0.236 40 0 CCABLO c1ncn(Cc2c[nH+]c3n2CCN([C@@H]2CCOC2)C3)n1 ZINC000096201157 389051215 /nfs/dbraw/zinc/05/12/15/389051215.db2.gz OFCUNGYDYXABHM-LLVKDONJSA-N 1 2 274.328 0.127 40 0 CCABLO COCC(=O)N1Cc2c[nH+]cn2C[C@H](COC)C1 ZINC000096208657 389052700 /nfs/dbraw/zinc/05/27/00/389052700.db2.gz FWYIEBCYJRQTDX-SNVBAGLBSA-N 1 2 253.302 0.134 40 0 CCABLO c1coc(C[N@@H+]2CCCn3nnc(Cn4cnnc4)c3C2)c1 ZINC000096259557 389057997 /nfs/dbraw/zinc/05/79/97/389057997.db2.gz QZMWOLUQFLZFHY-UHFFFAOYSA-N 1 2 299.338 0.917 40 0 CCABLO c1coc(C[N@H+]2CCCn3nnc(Cn4cnnc4)c3C2)c1 ZINC000096259557 389057999 /nfs/dbraw/zinc/05/79/99/389057999.db2.gz QZMWOLUQFLZFHY-UHFFFAOYSA-N 1 2 299.338 0.917 40 0 CCABLO CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3ccc(C)o3)C[C@H]2[N@@H+]1C ZINC000096054215 389043646 /nfs/dbraw/zinc/04/36/46/389043646.db2.gz OVUNFTGPRAXXBM-SDDRHHMPSA-N 1 2 291.351 0.479 40 0 CCABLO CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3ccc(C)o3)C[C@H]2[N@H+]1C ZINC000096054215 389043649 /nfs/dbraw/zinc/04/36/49/389043649.db2.gz OVUNFTGPRAXXBM-SDDRHHMPSA-N 1 2 291.351 0.479 40 0 CCABLO COc1cccc(F)c1C[N@@H+]1CCO[C@@](C)(C(N)=O)C1 ZINC000257230856 389269852 /nfs/dbraw/zinc/26/98/52/389269852.db2.gz GEEKPUNLUWYRSK-CQSZACIVSA-N 1 2 282.315 0.911 40 0 CCABLO COc1cccc(F)c1C[N@H+]1CCO[C@@](C)(C(N)=O)C1 ZINC000257230856 389269854 /nfs/dbraw/zinc/26/98/54/389269854.db2.gz GEEKPUNLUWYRSK-CQSZACIVSA-N 1 2 282.315 0.911 40 0 CCABLO O=S1(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@@H]2Oc2ncccc21 ZINC000514289986 390466758 /nfs/dbraw/zinc/46/67/58/390466758.db2.gz QNIRPDUYMHSAMV-MNOVXSKESA-N 1 2 295.364 0.215 40 0 biogenic,in-vitro CCABLO O=S1(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2Oc2ncccc21 ZINC000514289986 390466763 /nfs/dbraw/zinc/46/67/63/390466763.db2.gz QNIRPDUYMHSAMV-MNOVXSKESA-N 1 2 295.364 0.215 40 0 biogenic,in-vitro CCABLO O=S1(=O)CC[C@@H]([N@@H+](Cc2ccccc2)C[C@H](O)CO)C1 ZINC000575420169 390839538 /nfs/dbraw/zinc/83/95/38/390839538.db2.gz GPRXXTHRNDEIDZ-KGLIPLIRSA-N 1 2 299.392 0.029 40 0 CCABLO O=S1(=O)CC[C@@H]([N@H+](Cc2ccccc2)C[C@H](O)CO)C1 ZINC000575420169 390839540 /nfs/dbraw/zinc/83/95/40/390839540.db2.gz GPRXXTHRNDEIDZ-KGLIPLIRSA-N 1 2 299.392 0.029 40 0 CCABLO COCC(=O)N[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC000072369069 176383781 /nfs/dbraw/zinc/38/37/81/176383781.db2.gz FCSLZOCGLRONOL-LBPRGKRZSA-N 1 2 278.356 0.907 40 0 CCABLO CC(=O)N1Cc2c[nH+]cn2[C@H](C(=O)N2CCCCO2)C1 ZINC000247937698 277020796 /nfs/dbraw/zinc/02/07/96/277020796.db2.gz LVLWQBPSWLNRME-LBPRGKRZSA-N 1 2 278.312 0.340 40 0 CCABLO O=C(CCn1cc[nH+]c1)N1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257214710 295488901 /nfs/dbraw/zinc/48/89/01/295488901.db2.gz CNDYXXJKVAPNDK-JSGCOSHPSA-N 1 2 279.340 0.416 40 0 CCABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2nccn2C)[nH+]1 ZINC000257214460 301024893 /nfs/dbraw/zinc/02/48/93/301024893.db2.gz CMCMXGONZDNDJE-JTQLQIEISA-N 1 2 275.312 0.665 40 0 CCABLO O=C1NC(=O)C(=C2CC[NH+](Cc3ccccc3)CC2)C(=O)N1 ZINC000095098269 349591482 /nfs/dbraw/zinc/59/14/82/349591482.db2.gz XLNUIBJVYFNTAQ-UHFFFAOYSA-N 1 2 299.330 0.945 40 0 CCABLO N#[N+][N-]c1ccc(C(=O)NCCc2c[nH+]c[nH]2)cn1 ZINC000095475817 349614664 /nfs/dbraw/zinc/61/46/64/349614664.db2.gz DVEILVINSQBIJP-UHFFFAOYSA-O 1 2 258.265 0.957 40 0 CCABLO N#[N+][N-]c1ccc(C(=O)NCCc2c[nH]c[nH+]2)cn1 ZINC000095475817 349614667 /nfs/dbraw/zinc/61/46/67/349614667.db2.gz DVEILVINSQBIJP-UHFFFAOYSA-O 1 2 258.265 0.957 40 0 CCABLO O=C(NCC[NH+]1CCOCC1)[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000019720757 348068094 /nfs/dbraw/zinc/06/80/94/348068094.db2.gz QAQUNHWXVGVPDJ-YNEHKIRRSA-N 1 2 252.358 0.871 40 0 CCABLO Cc1ccc(C[N@@H+](C)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000037487579 348189712 /nfs/dbraw/zinc/18/97/12/348189712.db2.gz UAWYGOGMEQHEAV-STQMWFEESA-N 1 2 269.366 0.585 40 0 CCABLO Cc1ccc(C[N@H+](C)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000037487579 348189713 /nfs/dbraw/zinc/18/97/13/348189713.db2.gz UAWYGOGMEQHEAV-STQMWFEESA-N 1 2 269.366 0.585 40 0 CCABLO OCc1ccc(C[NH2+]C2(Cc3cc(CO)on3)COC2)o1 ZINC000067898065 348789816 /nfs/dbraw/zinc/78/98/16/348789816.db2.gz HAYMFPJBUVRJIE-UHFFFAOYSA-N 1 2 294.307 0.354 40 0 biogenic,in-vitro CCABLO Cn1cc(C(=O)N2CC[NH+](C)CC2)c(=O)c2ccccc21 ZINC000138220089 350440651 /nfs/dbraw/zinc/44/06/51/350440651.db2.gz GTSOZGIMRCNUFH-UHFFFAOYSA-N 1 2 285.347 0.926 40 0 CCABLO CNC(=O)[C@H]1CN(Cc2scnc2C)Cc2c[nH+]cn21 ZINC000248073474 352431625 /nfs/dbraw/zinc/43/16/25/352431625.db2.gz ZCQNZKGFMZTZMX-LLVKDONJSA-N 1 2 291.380 0.951 40 0 CCABLO CC(C)n1ccc(C[NH+]2CCC(S(N)(=O)=O)CC2)n1 ZINC000330365339 354327390 /nfs/dbraw/zinc/32/73/90/354327390.db2.gz LKPUXAORVIVXPY-UHFFFAOYSA-N 1 2 286.401 0.717 40 0 CCABLO C[C@@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)C(=O)N(C)C ZINC000332342919 354650167 /nfs/dbraw/zinc/65/01/67/354650167.db2.gz FOLQRZWYCBHEJN-MNOVXSKESA-N 1 2 293.371 0.396 40 0 CCABLO CCNc1cc(-c2cccnc2)[nH+]c(N[C@@H](C)CO)n1 ZINC000328972214 202135532 /nfs/dbraw/zinc/13/55/32/202135532.db2.gz DVOYOYGVYNYPAY-JTQLQIEISA-N 1 2 273.340 0.607 40 0 CCABLO CS(=O)(=O)NC[C@@H]1C[N@@H+](C2CCC2)Cc2ccnn21 ZINC000585111501 359250700 /nfs/dbraw/zinc/25/07/00/359250700.db2.gz BXOKLVSWCNKEIM-GFCCVEGCSA-N 1 2 284.385 0.342 40 0 CCABLO CS(=O)(=O)NC[C@@H]1C[N@H+](C2CCC2)Cc2ccnn21 ZINC000585111501 359250704 /nfs/dbraw/zinc/25/07/04/359250704.db2.gz BXOKLVSWCNKEIM-GFCCVEGCSA-N 1 2 284.385 0.342 40 0 CCABLO CC(C)[N@H+]1Cc2ccnn2[C@H](CCNS(C)(=O)=O)C1 ZINC000585112150 359250716 /nfs/dbraw/zinc/25/07/16/359250716.db2.gz JGEHFEUWFVHULK-GFCCVEGCSA-N 1 2 286.401 0.588 40 0 CCABLO CC(C)[N@@H+]1Cc2ccnn2[C@H](CCNS(C)(=O)=O)C1 ZINC000585112150 359250719 /nfs/dbraw/zinc/25/07/19/359250719.db2.gz JGEHFEUWFVHULK-GFCCVEGCSA-N 1 2 286.401 0.588 40 0 CCABLO COC(=O)[C@@H]1Cc2[nH]c[nH+]c2CN1C1CCOCC1 ZINC000015707152 284192692 /nfs/dbraw/zinc/19/26/92/284192692.db2.gz ANNXMSHDRFDRJF-LBPRGKRZSA-N 1 2 265.313 0.488 40 0 biogenic,in-vitro CCABLO Cc1c(C(=O)N2CC[NH+](C)CC2)cnc2ccnn21 ZINC000038829562 291499740 /nfs/dbraw/zinc/49/97/40/291499740.db2.gz WDHHHXZXPOUSDU-UHFFFAOYSA-N 1 2 259.313 0.425 40 0 CCABLO O=C(N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O)c1cncnc1 ZINC000257229486 190015886 /nfs/dbraw/zinc/01/58/86/190015886.db2.gz FYHMMWCXKBDOFL-JHJVBQTASA-N 1 2 287.323 0.558 40 0 CCABLO Cc1cc(=O)[nH]c([C@@H]2CN(Cc3[nH+]ccn3C)CCO2)n1 ZINC000257251559 190020056 /nfs/dbraw/zinc/02/00/56/190020056.db2.gz JRGAXZKXVWQORN-NSHDSACASA-N 1 2 289.339 0.798 40 0 CCABLO CC(=O)N1CC[NH2+][C@@H](C(=O)NCCc2ccccc2)C1 ZINC000257258891 190021615 /nfs/dbraw/zinc/02/16/15/190021615.db2.gz KVXODZADNQDSGM-CQSZACIVSA-N 1 2 275.352 0.166 40 0 CCABLO COCCC(=O)NC[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257263346 190022189 /nfs/dbraw/zinc/02/21/89/190022189.db2.gz LPLHXZWJMBGFQQ-AWEZNQCLSA-N 1 2 279.340 0.176 40 0 CCABLO COCC[N@@H+]1CCO[C@H](c2nc(C)cc(=O)[nH]2)C1 ZINC000257315732 190033006 /nfs/dbraw/zinc/03/30/06/190033006.db2.gz VCNZQNTVSCZSIB-JTQLQIEISA-N 1 2 253.302 0.510 40 0 CCABLO COCC[N@H+]1CCO[C@H](c2nc(C)cc(=O)[nH]2)C1 ZINC000257315732 190033007 /nfs/dbraw/zinc/03/30/07/190033007.db2.gz VCNZQNTVSCZSIB-JTQLQIEISA-N 1 2 253.302 0.510 40 0 CCABLO COC(=O)[C@@H]1Cc2[nH+]cn(C)c2CN1C(=O)C(C)(C)C ZINC000012530313 388785841 /nfs/dbraw/zinc/78/58/41/388785841.db2.gz RXKKODCIOQZAOQ-JTQLQIEISA-N 1 2 279.340 0.893 40 0 biogenic,in-vitro CCABLO CC(=O)N1CCC2(CC1)C(=O)N(CC1CC1)CC[N@H+]2C ZINC000096230125 389055173 /nfs/dbraw/zinc/05/51/73/389055173.db2.gz WITWDIHGUJGJJH-UHFFFAOYSA-N 1 2 279.384 0.552 40 0 CCABLO CC(=O)N1CCC2(CC1)C(=O)N(CC1CC1)CC[N@@H+]2C ZINC000096230125 389055178 /nfs/dbraw/zinc/05/51/78/389055178.db2.gz WITWDIHGUJGJJH-UHFFFAOYSA-N 1 2 279.384 0.552 40 0 CCABLO Cn1nc(Cn2cc[nH+]c2)c2c1CN([C@H]1CCOC1)C2 ZINC000096259112 389058173 /nfs/dbraw/zinc/05/81/73/389058173.db2.gz JAKXIVVQPXCLIF-NSHDSACASA-N 1 2 273.340 0.769 40 0 CCABLO CCOC(=O)[C@@H]([NH3+])CSCC(=O)Nc1ccccn1 ZINC000020609169 171267471 /nfs/dbraw/zinc/26/74/71/171267471.db2.gz ANMHCKMEJLWNFG-VIFPVBQESA-N 1 2 283.353 0.644 40 0 CCABLO CCOC(=O)[C@@H]1C(=O)[C@@H](C(=O)OCC)[C@H](C)[N@H+](C)[C@@H]1C ZINC000071255574 176095442 /nfs/dbraw/zinc/09/54/42/176095442.db2.gz LAYGCYSGPGGRFL-VLEAKVRGSA-N 1 2 285.340 0.637 40 0 CCABLO CCOC(=O)[C@@H]1C(=O)[C@@H](C(=O)OCC)[C@H](C)[N@@H+](C)[C@@H]1C ZINC000071255574 176095443 /nfs/dbraw/zinc/09/54/43/176095443.db2.gz LAYGCYSGPGGRFL-VLEAKVRGSA-N 1 2 285.340 0.637 40 0 CCABLO Cc1nc([C@H]2CCC[N@@H+]2CCO)ncc1C(N)=O ZINC000072351959 176374520 /nfs/dbraw/zinc/37/45/20/176374520.db2.gz OASJMJSLCFHPCJ-SNVBAGLBSA-N 1 2 250.302 0.013 40 0 CCABLO Cc1nc([C@H]2CCC[N@H+]2CCO)ncc1C(N)=O ZINC000072351959 176374521 /nfs/dbraw/zinc/37/45/21/176374521.db2.gz OASJMJSLCFHPCJ-SNVBAGLBSA-N 1 2 250.302 0.013 40 0 CCABLO COC[C@H]1C[N@H+](Cc2cnn(C)c2)Cc2ncn(C)c21 ZINC000096068369 185085912 /nfs/dbraw/zinc/08/59/12/185085912.db2.gz OXUZBWRGSWIHHB-GFCCVEGCSA-N 1 2 275.356 0.899 40 0 CCABLO COC[C@H]1C[N@@H+](Cc2cnn(C)c2)Cc2ncn(C)c21 ZINC000096068369 185085914 /nfs/dbraw/zinc/08/59/14/185085914.db2.gz OXUZBWRGSWIHHB-GFCCVEGCSA-N 1 2 275.356 0.899 40 0 CCABLO Cc1cc2[nH+]cn([C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c2cc1C ZINC000003869400 347986566 /nfs/dbraw/zinc/98/65/66/347986566.db2.gz HLRUKOJSWOKCPP-CRWXNKLISA-N 1 2 278.308 0.265 40 0 CCABLO O=c1ccc(=O)n(CC[C@@H]2Nc3ccccc3C[NH2+]2)[nH]1 ZINC000006610025 348005309 /nfs/dbraw/zinc/00/53/09/348005309.db2.gz NDOKCPVWKZZTQQ-LBPRGKRZSA-N 1 2 272.308 0.468 40 0 CCABLO C/C=C/C(=O)N1CC[NH+](CCNC(=O)/C=C\C)CC1 ZINC000017300809 348053759 /nfs/dbraw/zinc/05/37/59/348053759.db2.gz UEPDQEHSYFDDDK-CIIODKQPSA-N 1 2 265.357 0.399 40 0 CCABLO Cc1cc(N2CCO[C@@H](c3ccc(C(N)=O)cn3)C2)nc[nH+]1 ZINC000072388002 348922010 /nfs/dbraw/zinc/92/20/10/348922010.db2.gz MKTNHLHVFFIVGV-CYBMUJFWSA-N 1 2 299.334 0.857 40 0 CCABLO CN(C)C(=O)[C@H]1C[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)O1 ZINC000107198115 186162091 /nfs/dbraw/zinc/16/20/91/186162091.db2.gz RDCWHHKVJIQCIC-GARJFASQSA-N 1 2 281.381 0.963 40 0 CCABLO CN(C)C(=O)[C@H]1C[C@H]2[C@H](CC[N@H+]2Cc2nccs2)O1 ZINC000107198115 186162093 /nfs/dbraw/zinc/16/20/93/186162093.db2.gz RDCWHHKVJIQCIC-GARJFASQSA-N 1 2 281.381 0.963 40 0 CCABLO C[C@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)C(=O)N(C)C ZINC000332342923 354650207 /nfs/dbraw/zinc/65/02/07/354650207.db2.gz FOLQRZWYCBHEJN-WDEREUQCSA-N 1 2 293.371 0.396 40 0 CCABLO Cc1ccc(OC[C@@]2(O)C[N@@H+](C3COC3)CC[C@@H]2O)cc1 ZINC000585282654 359259337 /nfs/dbraw/zinc/25/93/37/359259337.db2.gz MDARIYFPTYISSA-HOTGVXAUSA-N 1 2 293.363 0.570 40 0 CCABLO Cc1ccc(OC[C@@]2(O)C[N@H+](C3COC3)CC[C@@H]2O)cc1 ZINC000585282654 359259341 /nfs/dbraw/zinc/25/93/41/359259341.db2.gz MDARIYFPTYISSA-HOTGVXAUSA-N 1 2 293.363 0.570 40 0 CCABLO COC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)c1cc(C)no1 ZINC000585094782 359246250 /nfs/dbraw/zinc/24/62/50/359246250.db2.gz MOVHCRUXHCKFHJ-SNVBAGLBSA-N 1 2 290.323 0.930 40 0 CCABLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000585292031 359263701 /nfs/dbraw/zinc/26/37/01/359263701.db2.gz VTDMILNBTSYJKR-HAXFYCRJSA-N 1 2 277.324 0.565 40 0 CCABLO COc1cccc(C[N@@H+]2CCN(C(C)=O)[C@H](C(N)=O)C2)c1 ZINC000257206282 190011319 /nfs/dbraw/zinc/01/13/19/190011319.db2.gz BCRYKWQALQQZLD-AWEZNQCLSA-N 1 2 291.351 0.213 40 0 CCABLO COc1cccc(C[N@H+]2CCN(C(C)=O)[C@H](C(N)=O)C2)c1 ZINC000257206282 190011320 /nfs/dbraw/zinc/01/13/20/190011320.db2.gz BCRYKWQALQQZLD-AWEZNQCLSA-N 1 2 291.351 0.213 40 0 CCABLO CCCS(=O)(=O)NC[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257210763 190012696 /nfs/dbraw/zinc/01/26/96/190012696.db2.gz BWBDQEIQUFCVQT-ZDUSSCGKSA-N 1 2 299.396 0.352 40 0 CCABLO CCOCC(=O)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257285543 190027353 /nfs/dbraw/zinc/02/73/53/190027353.db2.gz PHQZSXUBEJFRAY-RYUDHWBXSA-N 1 2 267.329 0.444 40 0 CCABLO COCC(=O)N(C)C[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257334537 190036090 /nfs/dbraw/zinc/03/60/90/190036090.db2.gz YGJBLOAGPCVGOH-AWEZNQCLSA-N 1 2 279.340 0.128 40 0 CCABLO CCOC(=O)c1cnc(C[NH+]2CCC(O)CC2)nc1C ZINC000072221002 388960825 /nfs/dbraw/zinc/96/08/25/388960825.db2.gz MDCIQHXASFUSHY-UHFFFAOYSA-N 1 2 279.340 0.918 40 0 CCABLO CC(=O)N1CC[N@H+](Cc2ccc(F)cc2)C[C@H]1C(N)=O ZINC000072350933 388961736 /nfs/dbraw/zinc/96/17/36/388961736.db2.gz WNHBNUNGPISMKO-ZDUSSCGKSA-N 1 2 279.315 0.344 40 0 CCABLO CC(=O)N1CC[N@@H+](Cc2ccc(F)cc2)C[C@H]1C(N)=O ZINC000072350933 388961740 /nfs/dbraw/zinc/96/17/40/388961740.db2.gz WNHBNUNGPISMKO-ZDUSSCGKSA-N 1 2 279.315 0.344 40 0 CCABLO CS(=O)(=O)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1nccs1 ZINC000096184482 389048220 /nfs/dbraw/zinc/04/82/20/389048220.db2.gz HDEITFRZELNCKZ-ZJUUUORDSA-N 1 2 287.410 0.751 40 0 CCABLO CS(=O)(=O)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1nccs1 ZINC000096184482 389048224 /nfs/dbraw/zinc/04/82/24/389048224.db2.gz HDEITFRZELNCKZ-ZJUUUORDSA-N 1 2 287.410 0.751 40 0 CCABLO Cn1cc(C[C@H]2[C@@H](O)CCN2c2cccc[nH+]2)cn1 ZINC000096200570 389051292 /nfs/dbraw/zinc/05/12/92/389051292.db2.gz RBQVJVBVUUEAEJ-STQMWFEESA-N 1 2 258.325 0.997 40 0 CCABLO CC(C)C(=O)N1CCCn2c(C[NH+](C)C)nnc2C1 ZINC000096259708 389057620 /nfs/dbraw/zinc/05/76/20/389057620.db2.gz JZYYGQCBTGNGDD-UHFFFAOYSA-N 1 2 265.361 0.728 40 0 CCABLO CCOc1cc([C@H]([NH3+])c2nc(CO)n[nH]2)ccc1OC ZINC000095534484 389042766 /nfs/dbraw/zinc/04/27/66/389042766.db2.gz NJMLTFGATITFFT-LBPRGKRZSA-N 1 2 278.312 0.752 40 0 CCABLO OC1CC[NH+](Cc2nnnn2CCc2ccccc2)CC1 ZINC000004860104 170032340 /nfs/dbraw/zinc/03/23/40/170032340.db2.gz YBWSKKPESOPBHQ-UHFFFAOYSA-N 1 2 287.367 0.873 40 0 CCABLO CNC(=O)c1cccc([C@@H]2CN(C(C)=O)CC[NH2+]2)c1 ZINC000072344373 176373311 /nfs/dbraw/zinc/37/33/11/176373311.db2.gz VTYYWTBQLZCMGU-ZDUSSCGKSA-N 1 2 261.325 0.539 40 0 CCABLO C[C@H](CNC(=O)C[NH+]1C[C@H](C)O[C@@H](C)C1)n1cncn1 ZINC000072398036 176396093 /nfs/dbraw/zinc/39/60/93/176396093.db2.gz PSDPGBXDKBJBDA-WOPDTQHZSA-N 1 2 281.360 0.065 40 0 CCABLO CCOC[C@@H]1CN(c2ccc3nncn3n2)Cc2c[nH+]cn21 ZINC000306126247 276331807 /nfs/dbraw/zinc/33/18/07/276331807.db2.gz DQSIMMBSGLWBIS-LBPRGKRZSA-N 1 2 299.338 0.919 40 0 CCABLO CN(C)C1=N[C@@](NC(C)(C)C)(N(C)C)OC(N(C)C)=[NH+]1 ZINC000019327980 289062694 /nfs/dbraw/zinc/06/26/94/289062694.db2.gz XKOXPUJGJZLNQE-CYBMUJFWSA-N 1 2 284.408 0.413 40 0 CCABLO CO[C@H](C)[C@](O)(C(=O)OC1=CC[N@@H+]2CC[C@H](O)[C@@H]12)C(C)C ZINC000020470444 294338907 /nfs/dbraw/zinc/33/89/07/294338907.db2.gz SYBDAXBOJJGQCQ-MPXAEWJHSA-N 1 2 299.367 0.284 40 0 CCABLO CO[C@H](C)[C@](O)(C(=O)OC1=CC[N@H+]2CC[C@H](O)[C@@H]12)C(C)C ZINC000020470444 294338910 /nfs/dbraw/zinc/33/89/10/294338910.db2.gz SYBDAXBOJJGQCQ-MPXAEWJHSA-N 1 2 299.367 0.284 40 0 CCABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cn(C)nc2C)[nH+]1 ZINC000257200464 301025153 /nfs/dbraw/zinc/02/51/53/301025153.db2.gz ADLNVJMFRVXZQK-GFCCVEGCSA-N 1 2 289.339 0.974 40 0 CCABLO Oc1cccnc1NC(=S)NCC[NH+]1CCOCC1 ZINC000223892683 534457650 /nfs/dbraw/zinc/45/76/50/534457650.db2.gz KYUODSLOQCLHAF-UHFFFAOYSA-N 1 2 282.369 0.406 40 0 CCABLO COC[C@H]1Cn2cc[nH+]c2CN(C(=O)N(C)C)C1 ZINC000096059109 185079139 /nfs/dbraw/zinc/07/91/39/185079139.db2.gz NQEVABIQCYPNJY-JTQLQIEISA-N 1 2 252.318 0.643 40 0 CCABLO CCS(=O)(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000096060921 349616651 /nfs/dbraw/zinc/61/66/51/349616651.db2.gz FSYQSHFNIBUZFO-UHFFFAOYSA-N 1 2 255.343 0.683 40 0 CCABLO Cc1nc2c(c(=O)[nH]1)C[N@H+](CC(=O)NC(C)(C)C)CC2 ZINC000019576523 348066117 /nfs/dbraw/zinc/06/61/17/348066117.db2.gz YKNJRKGEAYDKPH-UHFFFAOYSA-N 1 2 278.356 0.351 40 0 CCABLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](CC(=O)NC(C)(C)C)CC2 ZINC000019576523 348066118 /nfs/dbraw/zinc/06/61/18/348066118.db2.gz YKNJRKGEAYDKPH-UHFFFAOYSA-N 1 2 278.356 0.351 40 0 CCABLO CO[C@@H](C)[C@](O)(C(=O)OC1=CC[N@@H+]2CC[C@H](O)[C@@H]12)C(C)C ZINC000020470442 348077680 /nfs/dbraw/zinc/07/76/80/348077680.db2.gz SYBDAXBOJJGQCQ-UHXUCMFUSA-N 1 2 299.367 0.284 40 0 CCABLO CO[C@@H](C)[C@](O)(C(=O)OC1=CC[N@H+]2CC[C@H](O)[C@@H]12)C(C)C ZINC000020470442 348077684 /nfs/dbraw/zinc/07/76/84/348077684.db2.gz SYBDAXBOJJGQCQ-UHXUCMFUSA-N 1 2 299.367 0.284 40 0 CCABLO Cc1nc(N2CCC3(CC2)NC(=O)N(C)C3=O)cc[nH+]1 ZINC000072369055 348922319 /nfs/dbraw/zinc/92/23/19/348922319.db2.gz AEMZAFCGNLNLPM-UHFFFAOYSA-N 1 2 275.312 0.306 40 0 CCABLO CC(C)Nc1cc(-c2cccnc2)[nH+]c(NCCCO)n1 ZINC000329021364 202155410 /nfs/dbraw/zinc/15/54/10/202155410.db2.gz OGRNGRLWLVCAEW-UHFFFAOYSA-N 1 2 287.367 0.997 40 0 CCABLO C[N@@H+]1CCc2ncnc(NCCc3nccs3)c2C1 ZINC000329260894 202257602 /nfs/dbraw/zinc/25/76/02/202257602.db2.gz ARGXYDXQSDICTD-UHFFFAOYSA-N 1 2 275.381 0.998 40 0 CCABLO C[N@H+]1CCc2ncnc(NCCc3nccs3)c2C1 ZINC000329260894 202257606 /nfs/dbraw/zinc/25/76/06/202257606.db2.gz ARGXYDXQSDICTD-UHFFFAOYSA-N 1 2 275.381 0.998 40 0 CCABLO CCOC[C@@H]1CCn2nccc2C[N@@H+]1CC(=O)N(C)C ZINC000585097385 359247701 /nfs/dbraw/zinc/24/77/01/359247701.db2.gz KOBZLZQTSSCJCN-ZDUSSCGKSA-N 1 2 280.372 0.582 40 0 CCABLO CCOC[C@@H]1CCn2nccc2C[N@H+]1CC(=O)N(C)C ZINC000585097385 359247704 /nfs/dbraw/zinc/24/77/04/359247704.db2.gz KOBZLZQTSSCJCN-ZDUSSCGKSA-N 1 2 280.372 0.582 40 0 CCABLO CNC(=O)[C@@H]1CN(C(=O)c2occc2C)Cc2c[nH+]cn21 ZINC000585095912 359248160 /nfs/dbraw/zinc/24/81/60/359248160.db2.gz ANGKEXKBBLHIJH-NSHDSACASA-N 1 2 288.307 0.728 40 0 CCABLO Cc1cncc(C[N@@H+]2Cc3ccnn3CC[C@@H]2CO)n1 ZINC000585097633 359248473 /nfs/dbraw/zinc/24/84/73/359248473.db2.gz OJRKJIHFKFPKOU-CQSZACIVSA-N 1 2 273.340 0.748 40 0 CCABLO Cc1cncc(C[N@H+]2Cc3ccnn3CC[C@@H]2CO)n1 ZINC000585097633 359248476 /nfs/dbraw/zinc/24/84/76/359248476.db2.gz OJRKJIHFKFPKOU-CQSZACIVSA-N 1 2 273.340 0.748 40 0 CCABLO Cc1c[nH]c([C@@H]2CCCN2S(=O)(=O)N(C)C)[nH+]1 ZINC000257344069 190037815 /nfs/dbraw/zinc/03/78/15/190037815.db2.gz ZVQMIQQNQVHZPI-VIFPVBQESA-N 1 2 258.347 0.661 40 0 CCABLO C[NH+]1CCN(c2nc3[nH]cnc(=O)c3s2)CC1 ZINC000021949488 388797442 /nfs/dbraw/zinc/79/74/42/388797442.db2.gz JJBNSXMBVQKTIS-UHFFFAOYSA-N 1 2 251.315 0.131 40 0 CCABLO Nc1cnc(N2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000040455156 388853466 /nfs/dbraw/zinc/85/34/66/388853466.db2.gz DDPBUDJROHZNBY-UHFFFAOYSA-N 1 2 256.313 0.780 40 0 CCABLO CC[N@@H+]1CC(=O)NC[C@@]12CCN(c1ncc(C)cn1)C2 ZINC000096238260 389055560 /nfs/dbraw/zinc/05/55/60/389055560.db2.gz UTJVEIOXNZCSOK-CQSZACIVSA-N 1 2 275.356 0.186 40 0 CCABLO CC[N@H+]1CC(=O)NC[C@@]12CCN(c1ncc(C)cn1)C2 ZINC000096238260 389055562 /nfs/dbraw/zinc/05/55/62/389055562.db2.gz UTJVEIOXNZCSOK-CQSZACIVSA-N 1 2 275.356 0.186 40 0 CCABLO Cn1nc(Cn2cccn2)c2c1C[N@@H+]([C@H]1CCOC1)C2 ZINC000096259120 389058387 /nfs/dbraw/zinc/05/83/87/389058387.db2.gz ULYCOSNBFQBNDS-NSHDSACASA-N 1 2 273.340 0.769 40 0 CCABLO Cn1nc(Cn2cccn2)c2c1C[N@H+]([C@H]1CCOC1)C2 ZINC000096259120 389058391 /nfs/dbraw/zinc/05/83/91/389058391.db2.gz ULYCOSNBFQBNDS-NSHDSACASA-N 1 2 273.340 0.769 40 0 CCABLO CCOC(=O)[C@H]([NH3+])CSCC(=O)Nc1ccccn1 ZINC000020609170 171267665 /nfs/dbraw/zinc/26/76/65/171267665.db2.gz ANMHCKMEJLWNFG-SECBINFHSA-N 1 2 283.353 0.644 40 0 CCABLO COCCC(=O)N1CCC[C@H]1Cc1[nH+]ccn1C ZINC000072383353 176388985 /nfs/dbraw/zinc/38/89/85/176388985.db2.gz JVQGMXDHMNNLSR-NSHDSACASA-N 1 2 251.330 0.990 40 0 CCABLO CN(C)C1=N[C@](NC(C)(C)C)(N(C)C)OC(N(C)C)=[NH+]1 ZINC000019319139 289062685 /nfs/dbraw/zinc/06/26/85/289062685.db2.gz XKOXPUJGJZLNQE-ZDUSSCGKSA-N 1 2 284.408 0.413 40 0 CCABLO Cc1ccc([C@@H]([NH3+])c2nnc(Cn3cncn3)[nH]2)cc1 ZINC000095534115 185005582 /nfs/dbraw/zinc/00/55/82/185005582.db2.gz LKMAZECZIYHXCW-GFCCVEGCSA-N 1 2 269.312 0.801 40 0 CCABLO CCS(=O)(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C(C)C ZINC000096054289 349616603 /nfs/dbraw/zinc/61/66/03/349616603.db2.gz JASOQZIGCDWBIG-MNOVXSKESA-N 1 2 262.375 0.130 40 0 CCABLO CCS(=O)(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C(C)C ZINC000096054289 349616604 /nfs/dbraw/zinc/61/66/04/349616604.db2.gz JASOQZIGCDWBIG-MNOVXSKESA-N 1 2 262.375 0.130 40 0 CCABLO C[NH+]1CCN(C(=O)CSc2nccc(=O)[nH]2)CC1 ZINC000032521364 348134511 /nfs/dbraw/zinc/13/45/11/348134511.db2.gz YBRBPKKYRDEKLN-UHFFFAOYSA-N 1 2 268.342 0.048 40 0 CCABLO COC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)c1ccn(C)n1 ZINC000585094965 359247524 /nfs/dbraw/zinc/24/75/24/359247524.db2.gz XNCNOGZUASARHT-JTQLQIEISA-N 1 2 289.339 0.367 40 0 CCABLO CNC(=O)[C@@H]1COC2(CN(C3CCC3)C2)C[N@@H+]1CC1CC1 ZINC000585109353 359249170 /nfs/dbraw/zinc/24/91/70/359249170.db2.gz LRCAPTNYFRKILJ-AWEZNQCLSA-N 1 2 293.411 0.450 40 0 CCABLO CNC(=O)[C@@H]1COC2(CN(C3CCC3)C2)C[N@H+]1CC1CC1 ZINC000585109353 359249176 /nfs/dbraw/zinc/24/91/76/359249176.db2.gz LRCAPTNYFRKILJ-AWEZNQCLSA-N 1 2 293.411 0.450 40 0 CCABLO CNC(=O)[C@@H]1COC2(CN(CC3CC3)C2)C[N@@H+]1CC1CC1 ZINC000585109441 359249533 /nfs/dbraw/zinc/24/95/33/359249533.db2.gz PBDOJQHPVMCAJM-AWEZNQCLSA-N 1 2 293.411 0.308 40 0 CCABLO CNC(=O)[C@@H]1COC2(CN(CC3CC3)C2)C[N@H+]1CC1CC1 ZINC000585109441 359249538 /nfs/dbraw/zinc/24/95/38/359249538.db2.gz PBDOJQHPVMCAJM-AWEZNQCLSA-N 1 2 293.411 0.308 40 0 CCABLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@]2(CCCO2)C(=O)C1 ZINC000585292225 359263315 /nfs/dbraw/zinc/26/33/15/359263315.db2.gz ZCLAVWNQERCADP-BAABZTOOSA-N 1 2 275.308 0.774 40 0 CCABLO CO[C@@H]1COC[C@@H]([N@H+](C)Cc2ncccc2F)[C@@H]1O ZINC000585292312 359263617 /nfs/dbraw/zinc/26/36/17/359263617.db2.gz ZYZHTDDJVDALNQ-UPJWGTAASA-N 1 2 270.304 0.427 40 0 CCABLO CO[C@@H]1COC[C@@H]([N@@H+](C)Cc2ncccc2F)[C@@H]1O ZINC000585292312 359263619 /nfs/dbraw/zinc/26/36/19/359263619.db2.gz ZYZHTDDJVDALNQ-UPJWGTAASA-N 1 2 270.304 0.427 40 0 CCABLO CCc1nnc(SCC(=O)N2CC[NH+](C)CC2)[nH]1 ZINC000301818001 201214603 /nfs/dbraw/zinc/21/46/03/201214603.db2.gz AYFMNESHDWFXMO-UHFFFAOYSA-N 1 2 269.374 0.233 40 0 CCABLO CCc1nc(SCC(=O)N2CC[NH+](C)CC2)n[nH]1 ZINC000301818001 201214604 /nfs/dbraw/zinc/21/46/04/201214604.db2.gz AYFMNESHDWFXMO-UHFFFAOYSA-N 1 2 269.374 0.233 40 0 CCABLO COCCC(=O)N(C)C[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257263290 190022400 /nfs/dbraw/zinc/02/24/00/190022400.db2.gz LPDWXOJQBQVHCT-HNNXBMFYSA-N 1 2 293.367 0.518 40 0 CCABLO CNC(=O)[C@H]1CN(C(=O)C2CCCCC2)CC[NH2+]1 ZINC000257289199 190027967 /nfs/dbraw/zinc/02/79/67/190027967.db2.gz PXMUFOULTDMGBQ-LLVKDONJSA-N 1 2 253.346 0.113 40 0 CCABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cnccn2)[nH+]1 ZINC000257293460 190028719 /nfs/dbraw/zinc/02/87/19/190028719.db2.gz QPNAGLXSEPMADU-LLVKDONJSA-N 1 2 273.296 0.722 40 0 CCABLO Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NS(C)(=O)=O)C2)s1 ZINC000257325191 190034422 /nfs/dbraw/zinc/03/44/22/190034422.db2.gz WRWXBKGZIGRGQK-GHMZBOCLSA-N 1 2 290.410 0.151 40 0 CCABLO Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NS(C)(=O)=O)C2)s1 ZINC000257325191 190034423 /nfs/dbraw/zinc/03/44/23/190034423.db2.gz WRWXBKGZIGRGQK-GHMZBOCLSA-N 1 2 290.410 0.151 40 0 CCABLO CCOC(=O)[C@H]([NH3+])C1(N2CCOCC2)CCCCC1 ZINC000072210561 388959488 /nfs/dbraw/zinc/95/94/88/388959488.db2.gz VCHCILWRJRMTEP-LBPRGKRZSA-N 1 2 270.373 0.912 40 0 CCABLO CCOC(=O)[C@H]([NH3+])C1(N2CCOCC2)CCCC1 ZINC000072210555 388959817 /nfs/dbraw/zinc/95/98/17/388959817.db2.gz ZNERDDAPNSAZHX-NSHDSACASA-N 1 2 256.346 0.522 40 0 CCABLO Cc1cc(N2CCO[C@@](C)(C(=O)N(C)C)C2)nc[nH+]1 ZINC000072379627 388961895 /nfs/dbraw/zinc/96/18/95/388961895.db2.gz AZLPTTFXAFQEBV-CYBMUJFWSA-N 1 2 264.329 0.469 40 0 CCABLO [NH3+]Cc1nc(CCS(=O)(=O)c2ccccc2)no1 ZINC000247703813 389242179 /nfs/dbraw/zinc/24/21/79/389242179.db2.gz BYZHFFWSLZEYIL-UHFFFAOYSA-N 1 2 267.310 0.545 40 0 CCABLO CN1C=[NH+]c2c(ncn2[C@H]2CC[C@H](CO)O2)[C@@H]1O ZINC000005883803 170149784 /nfs/dbraw/zinc/14/97/84/170149784.db2.gz YWTQNDFEJJIOOG-XLDPMVHQSA-N 1 2 252.274 0.149 40 0 CCABLO C[NH+]1CCN(C(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)CC1 ZINC000020481507 290028241 /nfs/dbraw/zinc/02/82/41/290028241.db2.gz ZKEJRROGUJNZQC-CABCVRRESA-N 1 2 280.368 0.882 40 0 CCABLO COc1ccc([C@H]([NH3+])c2nnc(Cn3cncn3)[nH]2)cc1 ZINC000095533688 185006751 /nfs/dbraw/zinc/00/67/51/185006751.db2.gz QGCXKEDBPWPQEK-LBPRGKRZSA-N 1 2 285.311 0.501 40 0 CCABLO CNC(=O)C1=NO[C@@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC000096074487 185088458 /nfs/dbraw/zinc/08/84/58/185088458.db2.gz WBGXBJOFICTSGI-AWEZNQCLSA-N 1 2 274.324 0.548 40 0 CCABLO CNC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3cccnc3)C2)C1 ZINC000096074487 185088460 /nfs/dbraw/zinc/08/84/60/185088460.db2.gz WBGXBJOFICTSGI-AWEZNQCLSA-N 1 2 274.324 0.548 40 0 CCABLO Cn1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3CC2CC2)n1 ZINC000096081693 185091240 /nfs/dbraw/zinc/09/12/40/185091240.db2.gz BDTJJSFDROEYQL-KGLIPLIRSA-N 1 2 290.367 0.355 40 0 CCABLO Cn1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3CC2CC2)n1 ZINC000096081693 185091241 /nfs/dbraw/zinc/09/12/41/185091241.db2.gz BDTJJSFDROEYQL-KGLIPLIRSA-N 1 2 290.367 0.355 40 0 CCABLO CCOc1cccc(N2CC[NH+](CC(=O)NC)CC2)n1 ZINC000106936448 349736167 /nfs/dbraw/zinc/73/61/67/349736167.db2.gz DUJOGCOHIFIKGE-UHFFFAOYSA-N 1 2 278.356 0.348 40 0 CCABLO Cc1cccc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)[nH+]1 ZINC000120175299 349972572 /nfs/dbraw/zinc/97/25/72/349972572.db2.gz KLPZAQXFRXNNHN-CYBMUJFWSA-N 1 2 295.408 0.699 40 0 CCABLO CCOC(=O)[C@H]1C(=O)[C@@H](C(=O)OCC)[C@H](C)[N@H+](C)[C@H]1C ZINC000255004041 352540066 /nfs/dbraw/zinc/54/00/66/352540066.db2.gz LAYGCYSGPGGRFL-XWLWVQCSSA-N 1 2 285.340 0.637 40 0 CCABLO CCOC(=O)[C@H]1C(=O)[C@@H](C(=O)OCC)[C@H](C)[N@@H+](C)[C@H]1C ZINC000255004041 352540062 /nfs/dbraw/zinc/54/00/62/352540062.db2.gz LAYGCYSGPGGRFL-XWLWVQCSSA-N 1 2 285.340 0.637 40 0 CCABLO Cn1cc(C[N@@H+]2CCO[C@@H]3[C@H](CO)CC[C@@H]32)cn1 ZINC000107803746 186191931 /nfs/dbraw/zinc/19/19/31/186191931.db2.gz FYSBOQUOJXQKJR-RWMBFGLXSA-N 1 2 251.330 0.392 40 0 CCABLO Cn1cc(C[N@H+]2CCO[C@@H]3[C@H](CO)CC[C@@H]32)cn1 ZINC000107803746 186191932 /nfs/dbraw/zinc/19/19/32/186191932.db2.gz FYSBOQUOJXQKJR-RWMBFGLXSA-N 1 2 251.330 0.392 40 0 CCABLO CC(=O)NC[C@H]1CN(c2cc[nH+]c3ccncc32)CCO1 ZINC000267986207 352801631 /nfs/dbraw/zinc/80/16/31/352801631.db2.gz QEDIVTLLYYGUPQ-LBPRGKRZSA-N 1 2 286.335 0.971 40 0 CCABLO CC(C)Nc1cc(-c2ccncc2)[nH+]c(N[C@@H](C)CO)n1 ZINC000329069445 354252178 /nfs/dbraw/zinc/25/21/78/354252178.db2.gz YYBWHWZRRNGZKD-NSHDSACASA-N 1 2 287.367 0.995 40 0 CCABLO CNC(=O)[C@H]1COC2(CN(C(C)C)C2)C[N@@H+]1CC1CC1 ZINC000585109204 359248860 /nfs/dbraw/zinc/24/88/60/359248860.db2.gz CWGKWGREUNTIRP-CYBMUJFWSA-N 1 2 281.400 0.306 40 0 CCABLO CNC(=O)[C@H]1COC2(CN(C(C)C)C2)C[N@H+]1CC1CC1 ZINC000585109204 359248865 /nfs/dbraw/zinc/24/88/65/359248865.db2.gz CWGKWGREUNTIRP-CYBMUJFWSA-N 1 2 281.400 0.306 40 0 CCABLO CO[C@@H]1COC[C@@H](N(C)C(=O)C=Cc2c[nH]c[nH+]2)[C@@H]1OC ZINC000585288357 359261742 /nfs/dbraw/zinc/26/17/42/359261742.db2.gz XBWWLFSDFNIPGQ-TUAJAWCASA-N 1 2 295.339 0.310 40 0 CCABLO COc1ccc([C@H]2CN(CC(N)=O)CC[N@@H+]2C)cc1 ZINC000257200614 190010499 /nfs/dbraw/zinc/01/04/99/190010499.db2.gz AEBOKBAXSNOVEF-CYBMUJFWSA-N 1 2 263.341 0.469 40 0 CCABLO COc1ccc([C@H]2CN(CC(N)=O)CC[N@H+]2C)cc1 ZINC000257200614 190010500 /nfs/dbraw/zinc/01/05/00/190010500.db2.gz AEBOKBAXSNOVEF-CYBMUJFWSA-N 1 2 263.341 0.469 40 0 CCABLO O=C(N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O)c1ccnnc1 ZINC000257237001 190018153 /nfs/dbraw/zinc/01/81/53/190018153.db2.gz HEUIVNCHNLAIRE-JHJVBQTASA-N 1 2 287.323 0.558 40 0 CCABLO O=C(CCCn1cc[nH+]c1)N1C[C@H](O)[C@]2(CCCO2)C1 ZINC000257267791 190023467 /nfs/dbraw/zinc/02/34/67/190023467.db2.gz MITKNVMAXOSRRY-JSGCOSHPSA-N 1 2 279.340 0.416 40 0 CCABLO Cc1c[nH]nc1[C@@H]1COCCN1C(=O)CCn1cc[nH+]c1 ZINC000257302012 190030200 /nfs/dbraw/zinc/03/02/00/190030200.db2.gz SAZGAKGNAPDVNY-LBPRGKRZSA-N 1 2 289.339 0.905 40 0 CCABLO Cc1cc(N2CCO[C@H](c3cc(CO)[nH]n3)C2)nc[nH+]1 ZINC000072385514 388961253 /nfs/dbraw/zinc/96/12/53/388961253.db2.gz BVHKFJLTOACWMX-LBPRGKRZSA-N 1 2 275.312 0.578 40 0 CCABLO C[C@@H]1Cc2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2N1 ZINC000078404039 388989807 /nfs/dbraw/zinc/98/98/07/388989807.db2.gz UJDBETPOVITHRK-LLVKDONJSA-N 1 2 295.408 0.979 40 0 CCABLO Nc1cccc(CC(=O)NCC[NH+]2CCOCC2)c1 ZINC000020185887 171049707 /nfs/dbraw/zinc/04/97/07/171049707.db2.gz FFEZVCMUGBRCDK-UHFFFAOYSA-N 1 2 263.341 0.260 40 0 CCABLO O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CCOCC1 ZINC000020488517 171226117 /nfs/dbraw/zinc/22/61/17/171226117.db2.gz MSLIYDDJHJLXLP-UHFFFAOYSA-N 1 2 290.363 0.991 40 0 CCABLO CNC(=O)c1cccc([C@H]2CN(C(C)=O)CC[NH2+]2)c1 ZINC000072344374 176373271 /nfs/dbraw/zinc/37/32/71/176373271.db2.gz VTYYWTBQLZCMGU-CYBMUJFWSA-N 1 2 261.325 0.539 40 0 CCABLO Cc1ccc(-n2c(=O)[nH]c(=O)[n+]3ccccc23)cc1 ZINC000001587416 301466422 /nfs/dbraw/zinc/46/64/22/301466422.db2.gz ZCFXVEHRCIDRNN-UHFFFAOYSA-O 1 2 254.269 0.985 40 0 CCABLO COc1ccccc1[C@@H]1CN(CC(N)=O)CC[N@@H+]1C ZINC000248153305 334296252 /nfs/dbraw/zinc/29/62/52/334296252.db2.gz UXMXHOPYDQYYAB-LBPRGKRZSA-N 1 2 263.341 0.469 40 0 CCABLO COc1ccccc1[C@@H]1CN(CC(N)=O)CC[N@H+]1C ZINC000248153305 334296253 /nfs/dbraw/zinc/29/62/53/334296253.db2.gz UXMXHOPYDQYYAB-LBPRGKRZSA-N 1 2 263.341 0.469 40 0 CCABLO Nc1cc(N)[nH+]c(N2CCN(c3ccccc3)CC2)n1 ZINC000019929548 348073770 /nfs/dbraw/zinc/07/37/70/348073770.db2.gz RAUXPQQPVOBHMZ-UHFFFAOYSA-N 1 2 270.340 0.968 40 0 CCABLO C[N@H+](Cc1cccc(Cl)c1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000042210280 348269740 /nfs/dbraw/zinc/26/97/40/348269740.db2.gz IVFACUHUWGVKFS-RYUDHWBXSA-N 1 2 289.784 0.930 40 0 CCABLO C[N@@H+](Cc1cccc(Cl)c1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000042210280 348269741 /nfs/dbraw/zinc/26/97/41/348269741.db2.gz IVFACUHUWGVKFS-RYUDHWBXSA-N 1 2 289.784 0.930 40 0 CCABLO CC(=O)N1C[C@@H]2CN(C(=O)NC(C)C)CC[N@H+]2C(C)(C)C1 ZINC000253400770 352533245 /nfs/dbraw/zinc/53/32/45/352533245.db2.gz LTQONAKJSMJQKL-ZDUSSCGKSA-N 1 2 296.415 0.731 40 0 biogenic,in-vitro CCABLO CC(=O)N1C[C@@H]2CN(C(=O)NC(C)C)CC[N@@H+]2C(C)(C)C1 ZINC000253400770 352533248 /nfs/dbraw/zinc/53/32/48/352533248.db2.gz LTQONAKJSMJQKL-ZDUSSCGKSA-N 1 2 296.415 0.731 40 0 biogenic,in-vitro CCABLO O=C(Nc1nncs1)[C@@H]1CN(c2cccc[nH+]2)CCO1 ZINC000257327869 352552903 /nfs/dbraw/zinc/55/29/03/352552903.db2.gz XDCJEUVTOKKUAQ-VIFPVBQESA-N 1 2 291.336 0.777 40 0 CCABLO CC(=O)Nc1nc(C(=O)N2CCn3c[nH+]cc3C2)cs1 ZINC000290898445 353757127 /nfs/dbraw/zinc/75/71/27/353757127.db2.gz HBBCIVZNWZPKGR-UHFFFAOYSA-N 1 2 291.336 0.954 40 0 CCABLO C[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@@H](C)S1=O ZINC000331167675 354475509 /nfs/dbraw/zinc/47/55/09/354475509.db2.gz MXIQAVGDZRMVML-IJLUTSLNSA-N 1 2 271.386 0.085 40 0 CCABLO CCOC[C@H]1Cc2c([nH+]cn2C)CN1CC(=O)N(C)C ZINC000585094697 359246596 /nfs/dbraw/zinc/24/65/96/359246596.db2.gz HVELHKGYHIJKJM-LLVKDONJSA-N 1 2 280.372 0.272 40 0 CCABLO Cc1ccc(C(=O)N2Cc3[nH+]cn(C)c3C[C@@H]2CO)nc1 ZINC000585094765 359246777 /nfs/dbraw/zinc/24/67/77/359246777.db2.gz LRGHMUHZCIPKQV-LLVKDONJSA-N 1 2 286.335 0.683 40 0 CCABLO Cc1cccc(C(=O)N2Cc3[nH+]cn(C)c3C[C@H]2CO)n1 ZINC000585094950 359248099 /nfs/dbraw/zinc/24/80/99/359248099.db2.gz WFBQSCOTBYFZPR-NSHDSACASA-N 1 2 286.335 0.683 40 0 CCABLO C[NH+](C)CC(=O)OCC(=O)c1ccc2c(c1)OCO2 ZINC000616580911 365374943 /nfs/dbraw/zinc/37/49/43/365374943.db2.gz AJGZTXXCJZCRKA-UHFFFAOYSA-N 1 2 265.265 0.703 40 0 CCABLO O=C(c1ccccc1F)N1C[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257206512 190011506 /nfs/dbraw/zinc/01/15/06/190011506.db2.gz BDUZGRARQYQMAL-ZIAGYGMSSA-N 1 2 294.326 0.343 40 0 CCABLO CCCn1cc[nH+]c1CN1CCO[C@](C)(C(=O)N(C)C)C1 ZINC000257214860 190013555 /nfs/dbraw/zinc/01/35/55/190013555.db2.gz CNSUAVLHKAYADA-HNNXBMFYSA-N 1 2 294.399 0.972 40 0 CCABLO Cc1c[nH]c([C@H]2CCCN2S(=O)(=O)N(C)C)[nH+]1 ZINC000257344068 190037486 /nfs/dbraw/zinc/03/74/86/190037486.db2.gz ZVQMIQQNQVHZPI-SECBINFHSA-N 1 2 258.347 0.661 40 0 CCABLO CN1Cc2[nH+]c[nH]c2C[C@H]1C(=O)NCc1ccco1 ZINC000012530212 388786321 /nfs/dbraw/zinc/78/63/21/388786321.db2.gz HGAKARXRJORLBF-LBPRGKRZSA-N 1 2 260.297 0.676 40 0 biogenic,in-vitro CCABLO CN(C)C(=O)[C@@H]1C[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)O1 ZINC000096186558 389048396 /nfs/dbraw/zinc/04/83/96/389048396.db2.gz RDCWHHKVJIQCIC-DCAQKATOSA-N 1 2 281.381 0.963 40 0 CCABLO CN(C)C(=O)[C@@H]1C[C@H]2[C@H](CC[N@H+]2Cc2nccs2)O1 ZINC000096186558 389048399 /nfs/dbraw/zinc/04/83/99/389048399.db2.gz RDCWHHKVJIQCIC-DCAQKATOSA-N 1 2 281.381 0.963 40 0 CCABLO CCOCC(=O)N1Cc2c[nH+]cn2C[C@@H](COC)C1 ZINC000096217099 389052963 /nfs/dbraw/zinc/05/29/63/389052963.db2.gz GORFPWMZIXCRHC-NSHDSACASA-N 1 2 267.329 0.524 40 0 CCABLO Cc1nonc1C[N@@H+](C)Cc1ccc(OCC(N)=O)cc1 ZINC000019658680 170834061 /nfs/dbraw/zinc/83/40/61/170834061.db2.gz JHHXASJJEMSRIY-UHFFFAOYSA-N 1 2 290.323 0.874 40 0 CCABLO Cc1nonc1C[N@H+](C)Cc1ccc(OCC(N)=O)cc1 ZINC000019658680 170834063 /nfs/dbraw/zinc/83/40/63/170834063.db2.gz JHHXASJJEMSRIY-UHFFFAOYSA-N 1 2 290.323 0.874 40 0 CCABLO CC(=O)N1CC[NH2+][C@@H](c2cccc(C(=O)N(C)C)c2)C1 ZINC000072366067 176381403 /nfs/dbraw/zinc/38/14/03/176381403.db2.gz QROGNDPVTXJAEK-CQSZACIVSA-N 1 2 275.352 0.881 40 0 CCABLO Cc1cc(N2CCC[C@@H]2CCNS(C)(=O)=O)nc[nH+]1 ZINC000072369037 176383540 /nfs/dbraw/zinc/38/35/40/176383540.db2.gz DGYPZIQEXHPBDU-LLVKDONJSA-N 1 2 284.385 0.693 40 0 CCABLO OCCc1cc([C@@H]2C[N@H+](CC3CC3)CCO2)n[nH]1 ZINC000072383321 176388587 /nfs/dbraw/zinc/38/85/87/176388587.db2.gz LOGYWGSLTMTVHQ-ZDUSSCGKSA-N 1 2 251.330 0.728 40 0 CCABLO OCCc1cc([C@@H]2C[N@@H+](CC3CC3)CCO2)n[nH]1 ZINC000072383321 176388588 /nfs/dbraw/zinc/38/85/88/176388588.db2.gz LOGYWGSLTMTVHQ-ZDUSSCGKSA-N 1 2 251.330 0.728 40 0 CCABLO Cc1cc(N2CC(c3cc(=O)[nH]c(C)n3)C2)nc[nH+]1 ZINC000072385533 176390010 /nfs/dbraw/zinc/39/00/10/176390010.db2.gz BAAOUTBDRLOOQA-UHFFFAOYSA-N 1 2 257.297 0.781 40 0 CCABLO Cn1c(C[N@@H+]2CCOC[C@H](O)C2)nc2ccccc21 ZINC000077266084 177247004 /nfs/dbraw/zinc/24/70/04/177247004.db2.gz DPLGXQPEIWKUGL-LLVKDONJSA-N 1 2 261.325 0.766 40 0 biogenic,in-vitro CCABLO Cn1c(C[N@H+]2CCOC[C@H](O)C2)nc2ccccc21 ZINC000077266084 177247006 /nfs/dbraw/zinc/24/70/06/177247006.db2.gz DPLGXQPEIWKUGL-LLVKDONJSA-N 1 2 261.325 0.766 40 0 biogenic,in-vitro CCABLO COC[C@H]1CN(C(=O)c2cnccn2)Cc2[nH+]cn(C)c21 ZINC000096068606 277267358 /nfs/dbraw/zinc/26/73/58/277267358.db2.gz HCFZSIHSHXDAJE-SNVBAGLBSA-N 1 2 287.323 0.596 40 0 CCABLO Cc1c[nH]c([C@@H]2COCCN2S(=O)(=O)c2cn[nH]c2)[nH+]1 ZINC000257259093 301024984 /nfs/dbraw/zinc/02/49/84/301024984.db2.gz KWUKBUNJLQXNBL-JTQLQIEISA-N 1 2 297.340 0.203 40 0 CCABLO CNc1ncccc1C[N@@H+]1CCO[C@@](C)(C(N)=O)C1 ZINC000019746896 348068937 /nfs/dbraw/zinc/06/89/37/348068937.db2.gz WYTVITOEELSPDK-CYBMUJFWSA-N 1 2 264.329 0.200 40 0 CCABLO CNc1ncccc1C[N@H+]1CCO[C@@](C)(C(N)=O)C1 ZINC000019746896 348068941 /nfs/dbraw/zinc/06/89/41/348068941.db2.gz WYTVITOEELSPDK-CYBMUJFWSA-N 1 2 264.329 0.200 40 0 CCABLO CNC(=O)[C@]1(C)C[N@H+](Cc2cnn(C)c2C)CCO1 ZINC000019746967 348069141 /nfs/dbraw/zinc/06/91/41/348069141.db2.gz GRVCCDUFXWQULN-ZDUSSCGKSA-N 1 2 266.345 0.065 40 0 CCABLO CNC(=O)[C@]1(C)C[N@@H+](Cc2cnn(C)c2C)CCO1 ZINC000019746967 348069144 /nfs/dbraw/zinc/06/91/44/348069144.db2.gz GRVCCDUFXWQULN-ZDUSSCGKSA-N 1 2 266.345 0.065 40 0 CCABLO COC(=O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000026898117 348095895 /nfs/dbraw/zinc/09/58/95/348095895.db2.gz TWURHBCNFCRROK-SECBINFHSA-N 1 2 258.318 0.758 40 0 CCABLO CCOC(=O)[C@H]([NH3+])[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000062724048 348669046 /nfs/dbraw/zinc/66/90/46/348669046.db2.gz CEEHCOWSYFANRT-GHMZBOCLSA-N 1 2 287.337 0.014 40 0 CCABLO CN(C)S(=O)(=O)N1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000074563494 348994847 /nfs/dbraw/zinc/99/48/47/348994847.db2.gz NETBFVDUJWWESV-CYBMUJFWSA-N 1 2 283.397 0.782 40 0 CCABLO CN(C)S(=O)(=O)N1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000074563494 348994851 /nfs/dbraw/zinc/99/48/51/348994851.db2.gz NETBFVDUJWWESV-CYBMUJFWSA-N 1 2 283.397 0.782 40 0 CCABLO C[C@@H]1c2[nH+]cc(Cn3cncn3)n2CCN1[C@H]1CCOC1 ZINC000107218881 186163667 /nfs/dbraw/zinc/16/36/67/186163667.db2.gz LOKCBFVXKHNIPH-NEPJUHHUSA-N 1 2 288.355 0.688 40 0 CCABLO Nn1c(CN2CCCC2)nnc1C[NH+]1CCCC1 ZINC000225148594 352000123 /nfs/dbraw/zinc/00/01/23/352000123.db2.gz ZTSJCFPSLVIJCQ-UHFFFAOYSA-N 1 2 250.350 0.184 40 0 CCABLO CNC(=O)[C@@H]1CN(C(=O)c2ccncc2)CC[N@@H+]1C(C)C ZINC000257199720 352552169 /nfs/dbraw/zinc/55/21/69/352552169.db2.gz AAPDLQMKKBLJJD-ZDUSSCGKSA-N 1 2 290.367 0.362 40 0 CCABLO CNC(=O)[C@@H]1CN(C(=O)c2ccncc2)CC[N@H+]1C(C)C ZINC000257199720 352552171 /nfs/dbraw/zinc/55/21/71/352552171.db2.gz AAPDLQMKKBLJJD-ZDUSSCGKSA-N 1 2 290.367 0.362 40 0 CCABLO CNC(=O)CC[C@@]1(OC)CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000585275239 359256743 /nfs/dbraw/zinc/25/67/43/359256743.db2.gz AXHIOWKSSWFPAT-AWEZNQCLSA-N 1 2 280.372 0.917 40 0 CCABLO CNC(=O)CC[C@@]1(OC)CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000585275239 359256745 /nfs/dbraw/zinc/25/67/45/359256745.db2.gz AXHIOWKSSWFPAT-AWEZNQCLSA-N 1 2 280.372 0.917 40 0 CCABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CCN(Cc2[nH]cc[nH+]2)C1 ZINC000257311026 190031666 /nfs/dbraw/zinc/03/16/66/190031666.db2.gz UHPYWXUWAJFUNW-VIFPVBQESA-N 1 2 295.368 0.526 40 0 CCABLO Cc1c[nH]c([C@@H]2CCN(S(=O)(=O)c3cn[nH]c3)C2)[nH+]1 ZINC000257308984 190031125 /nfs/dbraw/zinc/03/11/25/190031125.db2.gz TZAMCJQEBFIXNB-SECBINFHSA-N 1 2 281.341 0.619 40 0 CCABLO CN(C(=O)c1cnn(C)c1)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257315910 190032544 /nfs/dbraw/zinc/03/25/44/190032544.db2.gz VDFQEFBTJBAOBH-JHJVBQTASA-N 1 2 289.339 0.453 40 0 CCABLO CC(=O)N1CC[NH2+]C[C@@H]1C(=O)NC1CCCCC1 ZINC000257325360 190033966 /nfs/dbraw/zinc/03/39/66/190033966.db2.gz WSPZZIKBWOZYFG-GFCCVEGCSA-N 1 2 253.346 0.256 40 0 CCABLO CN(C)C(=O)[C@]1(C)C[N@H+](Cc2cnccn2)CCO1 ZINC000257327016 190035157 /nfs/dbraw/zinc/03/51/57/190035157.db2.gz WZNIQNDBELCPPH-ZDUSSCGKSA-N 1 2 264.329 0.156 40 0 CCABLO CN(C)C(=O)[C@]1(C)C[N@@H+](Cc2cnccn2)CCO1 ZINC000257327016 190035158 /nfs/dbraw/zinc/03/51/58/190035158.db2.gz WZNIQNDBELCPPH-ZDUSSCGKSA-N 1 2 264.329 0.156 40 0 CCABLO Cc1c[nH]c([C@H]2CCCN2C(=O)Cn2cccnc2=O)[nH+]1 ZINC000257335669 190036004 /nfs/dbraw/zinc/03/60/04/190036004.db2.gz YLIOJTMZBFSZFX-LLVKDONJSA-N 1 2 287.323 0.639 40 0 CCABLO Cc1cn(C)c([C@@H]2CCN(C(=O)Cn3cccn3)C2)[nH+]1 ZINC000257335005 190036189 /nfs/dbraw/zinc/03/61/89/190036189.db2.gz YIGZMAHAGLWQAY-GFCCVEGCSA-N 1 2 273.340 0.941 40 0 CCABLO C[N@@H+]1CCc2c3c(N)n[nH]c3nc(N3CCOCC3)c2C1 ZINC000005400206 388762170 /nfs/dbraw/zinc/76/21/70/388762170.db2.gz GKRRHLIUZRRVQS-UHFFFAOYSA-N 1 2 288.355 0.365 40 0 CCABLO C[N@H+]1CCc2c3c(N)n[nH]c3nc(N3CCOCC3)c2C1 ZINC000005400206 388762174 /nfs/dbraw/zinc/76/21/74/388762174.db2.gz GKRRHLIUZRRVQS-UHFFFAOYSA-N 1 2 288.355 0.365 40 0 CCABLO C[NH+]1CCC(c2ncncc2S(C)(=O)=O)CC1 ZINC000072369476 388961755 /nfs/dbraw/zinc/96/17/55/388961755.db2.gz VCCOTBRGFZGXCM-UHFFFAOYSA-N 1 2 255.343 0.689 40 0 CCABLO COC[C@@H]1Cn2cc[nH+]c2CN(C(=O)N2CCOCC2)C1 ZINC000096187788 389048083 /nfs/dbraw/zinc/04/80/83/389048083.db2.gz KBAMOQLQSSGVNX-GFCCVEGCSA-N 1 2 294.355 0.414 40 0 CCABLO CC(=O)N1CCOC[C@@]2(C[N@H+](Cc3ccoc3)CCO2)C1 ZINC000096229521 389054239 /nfs/dbraw/zinc/05/42/39/389054239.db2.gz MUXXLWIOKIENJD-OAHLLOKOSA-N 1 2 294.351 0.729 40 0 CCABLO CC(=O)N1CCOC[C@@]2(C[N@@H+](Cc3ccoc3)CCO2)C1 ZINC000096229521 389054243 /nfs/dbraw/zinc/05/42/43/389054243.db2.gz MUXXLWIOKIENJD-OAHLLOKOSA-N 1 2 294.351 0.729 40 0 CCABLO CCOC(=O)[C@@H]([NH3+])[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000095890220 389042588 /nfs/dbraw/zinc/04/25/88/389042588.db2.gz CEEHCOWSYFANRT-QWRGUYRKSA-N 1 2 287.337 0.014 40 0 CCABLO CC(C)[N@@H+]1CCc2ncn(C)c2[C@@H]1C(=O)N1CCOCC1 ZINC000096147150 389045822 /nfs/dbraw/zinc/04/58/22/389045822.db2.gz LBTUICDOCMSANM-CQSZACIVSA-N 1 2 292.383 0.587 40 0 CCABLO CC(C)[N@H+]1CCc2ncn(C)c2[C@@H]1C(=O)N1CCOCC1 ZINC000096147150 389045826 /nfs/dbraw/zinc/04/58/26/389045826.db2.gz LBTUICDOCMSANM-CQSZACIVSA-N 1 2 292.383 0.587 40 0 CCABLO CCCS(=O)(=O)N1CCOC[C@H]1c1[nH]cc(C)[nH+]1 ZINC000205686192 389130324 /nfs/dbraw/zinc/13/03/24/389130324.db2.gz SFKDBPNFGWDFMY-JTQLQIEISA-N 1 2 273.358 0.831 40 0 CCABLO CC(=O)N1CC[NH2+][C@@H](C(=O)NC2CCCCC2)C1 ZINC000257322604 389269871 /nfs/dbraw/zinc/26/98/71/389269871.db2.gz WGQWOCMIHXEKAY-GFCCVEGCSA-N 1 2 253.346 0.256 40 0 CCABLO O=C1NCC[C@@]12C[N@@H+](Cc1cn[nH]c1)CC(F)(F)C2 ZINC000585093433 390356994 /nfs/dbraw/zinc/35/69/94/390356994.db2.gz WIOSXWOMKZDHGR-LLVKDONJSA-N 1 2 270.283 0.757 40 0 CCABLO O=C1NCC[C@@]12C[N@H+](Cc1cn[nH]c1)CC(F)(F)C2 ZINC000585093433 390357001 /nfs/dbraw/zinc/35/70/01/390357001.db2.gz WIOSXWOMKZDHGR-LLVKDONJSA-N 1 2 270.283 0.757 40 0 CCABLO CC[N@H+](Cc1ccc(C)cc1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000575420078 390839350 /nfs/dbraw/zinc/83/93/50/390839350.db2.gz FJUBMSVJPYFOIP-KGLIPLIRSA-N 1 2 283.393 0.975 40 0 CCABLO CC[N@@H+](Cc1ccc(C)cc1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000575420078 390839352 /nfs/dbraw/zinc/83/93/52/390839352.db2.gz FJUBMSVJPYFOIP-KGLIPLIRSA-N 1 2 283.393 0.975 40 0 CCABLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N(C)C)C2)no1 ZINC000072348517 176373761 /nfs/dbraw/zinc/37/37/61/176373761.db2.gz MVWRDXAWYIBOBG-SNVBAGLBSA-N 1 2 252.318 0.646 40 0 CCABLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N(C)C)C2)no1 ZINC000072348517 176373763 /nfs/dbraw/zinc/37/37/63/176373763.db2.gz MVWRDXAWYIBOBG-SNVBAGLBSA-N 1 2 252.318 0.646 40 0 CCABLO CN(C)C(=O)CCc1cncc([C@@H]2C[N@H+](C)CCO2)n1 ZINC000072379105 176386236 /nfs/dbraw/zinc/38/62/36/176386236.db2.gz RDZGQXKITYUQLK-ZDUSSCGKSA-N 1 2 278.356 0.501 40 0 CCABLO CN(C)C(=O)CCc1cncc([C@@H]2C[N@@H+](C)CCO2)n1 ZINC000072379105 176386237 /nfs/dbraw/zinc/38/62/37/176386237.db2.gz RDZGQXKITYUQLK-ZDUSSCGKSA-N 1 2 278.356 0.501 40 0 CCABLO Cc1nc([C@H]2C[N@H+](C)CCO2)cc(N(C)CCO)n1 ZINC000072386833 176392046 /nfs/dbraw/zinc/39/20/46/176392046.db2.gz QLIAPSMMWLTDJL-GFCCVEGCSA-N 1 2 266.345 0.217 40 0 CCABLO Cc1nc([C@H]2C[N@@H+](C)CCO2)cc(N(C)CCO)n1 ZINC000072386833 176392048 /nfs/dbraw/zinc/39/20/48/176392048.db2.gz QLIAPSMMWLTDJL-GFCCVEGCSA-N 1 2 266.345 0.217 40 0 CCABLO CN(C)C(=O)[C@@]1(C)C[N@H+](Cc2cnn(C)c2)CCO1 ZINC000019746864 348068821 /nfs/dbraw/zinc/06/88/21/348068821.db2.gz IZWZIEJMAAETDM-CYBMUJFWSA-N 1 2 266.345 0.099 40 0 CCABLO CN(C)C(=O)[C@@]1(C)C[N@@H+](Cc2cnn(C)c2)CCO1 ZINC000019746864 348068827 /nfs/dbraw/zinc/06/88/27/348068827.db2.gz IZWZIEJMAAETDM-CYBMUJFWSA-N 1 2 266.345 0.099 40 0 CCABLO Cc1c(C[N@@H+]2CCO[C@@](C)(C(=O)N(C)C)C2)cnn1C ZINC000019746842 348069314 /nfs/dbraw/zinc/06/93/14/348069314.db2.gz XWCCGBWGRULKOL-CQSZACIVSA-N 1 2 280.372 0.408 40 0 CCABLO Cc1c(C[N@H+]2CCO[C@@](C)(C(=O)N(C)C)C2)cnn1C ZINC000019746842 348069315 /nfs/dbraw/zinc/06/93/15/348069315.db2.gz XWCCGBWGRULKOL-CQSZACIVSA-N 1 2 280.372 0.408 40 0 CCABLO O=S1(=O)CC[C@H]([N@H+](CCO)Cc2cccc(F)c2)C1 ZINC000072971380 348939656 /nfs/dbraw/zinc/93/96/56/348939656.db2.gz MHQFVDTVKWIRKZ-ZDUSSCGKSA-N 1 2 287.356 0.807 40 0 CCABLO O=S1(=O)CC[C@H]([N@@H+](CCO)Cc2cccc(F)c2)C1 ZINC000072971380 348939658 /nfs/dbraw/zinc/93/96/58/348939658.db2.gz MHQFVDTVKWIRKZ-ZDUSSCGKSA-N 1 2 287.356 0.807 40 0 CCABLO C[C@H]1Cc2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2N1 ZINC000078404042 291162824 /nfs/dbraw/zinc/16/28/24/291162824.db2.gz UJDBETPOVITHRK-NSHDSACASA-N 1 2 295.408 0.979 40 0 CCABLO COCC[C@@H]1COCC[N@@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC000329575164 202391469 /nfs/dbraw/zinc/39/14/69/202391469.db2.gz AZTQDTWGIIOEOC-QWHCGFSZSA-N 1 2 291.413 0.549 40 0 CCABLO COCC[C@@H]1COCC[N@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC000329575164 202391473 /nfs/dbraw/zinc/39/14/73/202391473.db2.gz AZTQDTWGIIOEOC-QWHCGFSZSA-N 1 2 291.413 0.549 40 0 CCABLO CNC(=O)[C@H]1CN(C(=O)c2ccncc2)CC[N@@H+]1C(C)C ZINC000257199719 190010918 /nfs/dbraw/zinc/01/09/18/190010918.db2.gz AAPDLQMKKBLJJD-CYBMUJFWSA-N 1 2 290.367 0.362 40 0 CCABLO CNC(=O)[C@H]1CN(C(=O)c2ccncc2)CC[N@H+]1C(C)C ZINC000257199719 190010919 /nfs/dbraw/zinc/01/09/19/190010919.db2.gz AAPDLQMKKBLJJD-CYBMUJFWSA-N 1 2 290.367 0.362 40 0 CCABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cnc[nH]c2=O)[nH+]1 ZINC000257260372 190022567 /nfs/dbraw/zinc/02/25/67/190022567.db2.gz LCOIGGZFZZWNPB-JTQLQIEISA-N 1 2 289.295 0.427 40 0 CCABLO CC(C)C(=O)N[C@H]1CC[N@H+](Cc2ncc[nH]2)CC[C@@H]1O ZINC000257277832 190025163 /nfs/dbraw/zinc/02/51/63/190025163.db2.gz NZQKQLPXXGGPBU-RYUDHWBXSA-N 1 2 280.372 0.507 40 0 CCABLO CC(C)C(=O)N[C@H]1CC[N@@H+](Cc2ncc[nH]2)CC[C@@H]1O ZINC000257277832 190025164 /nfs/dbraw/zinc/02/51/64/190025164.db2.gz NZQKQLPXXGGPBU-RYUDHWBXSA-N 1 2 280.372 0.507 40 0 CCABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)Cn2cccnc2=O)[nH+]1 ZINC000257335670 190036528 /nfs/dbraw/zinc/03/65/28/190036528.db2.gz YLIOJTMZBFSZFX-NSHDSACASA-N 1 2 287.323 0.639 40 0 CCABLO COC[C@H]1Cn2ccnc2C[N@H+](Cc2cnn(C)c2)C1 ZINC000096187742 256816191 /nfs/dbraw/zinc/81/61/91/256816191.db2.gz HKGKCMQHQZLSFC-CYBMUJFWSA-N 1 2 275.356 0.895 40 0 CCABLO COC[C@H]1Cn2ccnc2C[N@@H+](Cc2cnn(C)c2)C1 ZINC000096187742 256816192 /nfs/dbraw/zinc/81/61/92/256816192.db2.gz HKGKCMQHQZLSFC-CYBMUJFWSA-N 1 2 275.356 0.895 40 0 CCABLO C[C@H]1N(C)C(=O)COC12CC[NH+](Cc1nccn1C)CC2 ZINC000096201500 389051674 /nfs/dbraw/zinc/05/16/74/389051674.db2.gz FMWXIEKDKXLVCX-GFCCVEGCSA-N 1 2 292.383 0.632 40 0 CCABLO Cc1nc(C[N@@H+]2CCC3(CN(C(=O)CO)C3)C2)cs1 ZINC000096202778 389052005 /nfs/dbraw/zinc/05/20/05/389052005.db2.gz SKCDYLBBADNRRZ-UHFFFAOYSA-N 1 2 281.381 0.478 40 0 CCABLO Cc1nc(C[N@H+]2CCC3(CN(C(=O)CO)C3)C2)cs1 ZINC000096202778 389052012 /nfs/dbraw/zinc/05/20/12/389052012.db2.gz SKCDYLBBADNRRZ-UHFFFAOYSA-N 1 2 281.381 0.478 40 0 CCABLO CC(C)[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccnnc3)C[C@@H]21 ZINC000108528163 389097915 /nfs/dbraw/zinc/09/79/15/389097915.db2.gz YGOHIGCHQRWOMQ-KBPBESRZSA-N 1 2 290.367 0.800 40 0 CCABLO CC(C)[N@H+]1CCO[C@H]2CCN(C(=O)c3ccnnc3)C[C@@H]21 ZINC000108528163 389097920 /nfs/dbraw/zinc/09/79/20/389097920.db2.gz YGOHIGCHQRWOMQ-KBPBESRZSA-N 1 2 290.367 0.800 40 0 CCABLO COc1ccc(C[N@@H+]2CCN3C(=O)N(C)C[C@H]3C2)cn1 ZINC000077266833 286306068 /nfs/dbraw/zinc/30/60/68/286306068.db2.gz DTSXAPDKGDXQJB-LBPRGKRZSA-N 1 2 276.340 0.642 40 0 biogenic,in-vitro CCABLO COc1ccc(C[N@H+]2CCN3C(=O)N(C)C[C@H]3C2)cn1 ZINC000077266833 286306070 /nfs/dbraw/zinc/30/60/70/286306070.db2.gz DTSXAPDKGDXQJB-LBPRGKRZSA-N 1 2 276.340 0.642 40 0 biogenic,in-vitro CCABLO S=C(NCC[NH+]1CCOCC1)Nc1ccccn1 ZINC000061248125 175642973 /nfs/dbraw/zinc/64/29/73/175642973.db2.gz HMKPHXZMHPOELP-UHFFFAOYSA-N 1 2 266.370 0.700 40 0 CCABLO COc1ccc(C[N@@H+]2CCN(C(C)=O)[C@H](C(N)=O)C2)cc1 ZINC000072350939 176373881 /nfs/dbraw/zinc/37/38/81/176373881.db2.gz QACIGOJNTSVDMT-AWEZNQCLSA-N 1 2 291.351 0.213 40 0 CCABLO COc1ccc(C[N@H+]2CCN(C(C)=O)[C@H](C(N)=O)C2)cc1 ZINC000072350939 176373882 /nfs/dbraw/zinc/37/38/82/176373882.db2.gz QACIGOJNTSVDMT-AWEZNQCLSA-N 1 2 291.351 0.213 40 0 CCABLO CNC(=O)[C@H]1CN(Cc2nccn2C)CC[N@@H+]1C(C)C ZINC000072368052 176382400 /nfs/dbraw/zinc/38/24/00/176382400.db2.gz XBLOUFBGQWUKEY-GFCCVEGCSA-N 1 2 279.388 0.061 40 0 CCABLO CNC(=O)[C@H]1CN(Cc2nccn2C)CC[N@H+]1C(C)C ZINC000072368052 176382402 /nfs/dbraw/zinc/38/24/02/176382402.db2.gz XBLOUFBGQWUKEY-GFCCVEGCSA-N 1 2 279.388 0.061 40 0 CCABLO C[N@@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000076556601 177037775 /nfs/dbraw/zinc/03/77/75/177037775.db2.gz NHZJDZJAYXRLKH-SNVBAGLBSA-N 1 2 260.293 0.613 40 0 CCABLO C[N@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000076556601 177037777 /nfs/dbraw/zinc/03/77/77/177037777.db2.gz NHZJDZJAYXRLKH-SNVBAGLBSA-N 1 2 260.293 0.613 40 0 CCABLO COCCN1C[C@H]2C[N@H+](Cc3cccnc3)CCN2C1=O ZINC000077266950 177247166 /nfs/dbraw/zinc/24/71/66/177247166.db2.gz JECKKZOCDUSEOH-CQSZACIVSA-N 1 2 290.367 0.650 40 0 biogenic,in-vitro CCABLO COCCN1C[C@H]2C[N@@H+](Cc3cccnc3)CCN2C1=O ZINC000077266950 177247168 /nfs/dbraw/zinc/24/71/68/177247168.db2.gz JECKKZOCDUSEOH-CQSZACIVSA-N 1 2 290.367 0.650 40 0 biogenic,in-vitro CCABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cnn(C)c2)[nH+]1 ZINC000257311283 301024494 /nfs/dbraw/zinc/02/44/94/301024494.db2.gz UITVAJMTQJJHAU-NSHDSACASA-N 1 2 275.312 0.665 40 0 CCABLO CNC(=O)[C@@]1(C)C[N@H+](Cc2cnn(C)c2C)CCO1 ZINC000019746966 348069306 /nfs/dbraw/zinc/06/93/06/348069306.db2.gz GRVCCDUFXWQULN-CYBMUJFWSA-N 1 2 266.345 0.065 40 0 CCABLO CNC(=O)[C@@]1(C)C[N@@H+](Cc2cnn(C)c2C)CCO1 ZINC000019746966 348069307 /nfs/dbraw/zinc/06/93/07/348069307.db2.gz GRVCCDUFXWQULN-CYBMUJFWSA-N 1 2 266.345 0.065 40 0 CCABLO S=C(NCC[NH+]1CCOCC1)Nc1cccnc1 ZINC000016215280 348044759 /nfs/dbraw/zinc/04/47/59/348044759.db2.gz ZJXQWUVEBWELSA-UHFFFAOYSA-N 1 2 266.370 0.700 40 0 CCABLO C[NH+]1CCN(C(=O)c2cc(O)c3c(=O)cccc-3o2)CC1 ZINC000053257512 348524029 /nfs/dbraw/zinc/52/40/29/348524029.db2.gz IQWFMMMDLDKSJG-UHFFFAOYSA-N 1 2 288.303 0.886 40 0 CCABLO O=S(=O)(NCC[N@@H+]1CCCOCC1)c1cccnc1 ZINC000189089905 351652312 /nfs/dbraw/zinc/65/23/12/351652312.db2.gz TWKOYBONHKCVPP-UHFFFAOYSA-N 1 2 285.369 0.082 40 0 CCABLO O=S(=O)(NCC[N@H+]1CCCOCC1)c1cccnc1 ZINC000189089905 351652316 /nfs/dbraw/zinc/65/23/16/351652316.db2.gz TWKOYBONHKCVPP-UHFFFAOYSA-N 1 2 285.369 0.082 40 0 CCABLO Cc1ncc(C[NH2+][C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cn1 ZINC000218761131 351962218 /nfs/dbraw/zinc/96/22/18/351962218.db2.gz LSNDKLCGJHSXSX-NSHDSACASA-N 1 2 261.285 0.294 40 0 CCABLO Cc1ncc(C[NH2+][C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cn1 ZINC000218761131 351962220 /nfs/dbraw/zinc/96/22/20/351962220.db2.gz LSNDKLCGJHSXSX-NSHDSACASA-N 1 2 261.285 0.294 40 0 CCABLO CCOC(=O)C[N@@H+]1[C@H]2C[C@H](O)C[C@@H]1C[C@H](C(=O)OCC)C2 ZINC000245224407 352316632 /nfs/dbraw/zinc/31/66/32/352316632.db2.gz WCDRGGYHUBTALP-KVVVAFMNSA-N 1 2 299.367 0.717 40 0 CCABLO CCOC(=O)C[N@H+]1[C@H]2C[C@H](O)C[C@@H]1C[C@H](C(=O)OCC)C2 ZINC000245224407 352316636 /nfs/dbraw/zinc/31/66/36/352316636.db2.gz WCDRGGYHUBTALP-KVVVAFMNSA-N 1 2 299.367 0.717 40 0 CCABLO CC[N@H+](Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000249705775 352500502 /nfs/dbraw/zinc/50/05/02/352500502.db2.gz IHKZRZOJHPJARO-QWHCGFSZSA-N 1 2 269.366 0.666 40 0 CCABLO CC[N@@H+](Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000249705775 352500503 /nfs/dbraw/zinc/50/05/03/352500503.db2.gz IHKZRZOJHPJARO-QWHCGFSZSA-N 1 2 269.366 0.666 40 0 CCABLO CNC(=O)[C@@H]1CN(c2cnccn2)CC[N@@H+]1C(C)C ZINC000257330443 352553098 /nfs/dbraw/zinc/55/30/98/352553098.db2.gz XOLNUNPBNMAGFA-NSHDSACASA-N 1 2 263.345 0.122 40 0 CCABLO CNC(=O)[C@@H]1CN(c2cnccn2)CC[N@H+]1C(C)C ZINC000257330443 352553101 /nfs/dbraw/zinc/55/31/01/352553101.db2.gz XOLNUNPBNMAGFA-NSHDSACASA-N 1 2 263.345 0.122 40 0 CCABLO CCn1cc[nH+]c1CN1CCN(S(=O)(=O)CC)CC1 ZINC000330365718 354328563 /nfs/dbraw/zinc/32/85/63/354328563.db2.gz QDBRKWCJAWJROM-UHFFFAOYSA-N 1 2 286.401 0.370 40 0 CCABLO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H](C)[S@@]1=O ZINC000331167674 354475652 /nfs/dbraw/zinc/47/56/52/354475652.db2.gz MXIQAVGDZRMVML-DBYGNECLSA-N 1 2 271.386 0.085 40 0 CCABLO C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H](C)[S@@]1=O ZINC000331167674 354475655 /nfs/dbraw/zinc/47/56/55/354475655.db2.gz MXIQAVGDZRMVML-DBYGNECLSA-N 1 2 271.386 0.085 40 0 CCABLO CC(C)Nc1cc(-c2ccncc2)[nH+]c(NCCCO)n1 ZINC000329045932 202166453 /nfs/dbraw/zinc/16/64/53/202166453.db2.gz TXNYHLXPUBSCPK-UHFFFAOYSA-N 1 2 287.367 0.997 40 0 CCABLO Cc1c[nH]c([C@H]2CCCN(C(=O)CN3CCOCC3)C2)[nH+]1 ZINC000257275756 190024844 /nfs/dbraw/zinc/02/48/44/190024844.db2.gz NQTMQWQDLDRZHR-ZDUSSCGKSA-N 1 2 292.383 0.756 40 0 CCABLO Cn1cc(CN2CCc3c(C[NH+](C)C)[nH]nc3C2)cn1 ZINC000096255837 389058116 /nfs/dbraw/zinc/05/81/16/389058116.db2.gz YGBWVBBMHJOZGQ-UHFFFAOYSA-N 1 2 274.372 0.763 40 0 CCABLO CNC(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3nccs3)C[C@H]2O1 ZINC000096058217 389045075 /nfs/dbraw/zinc/04/50/75/389045075.db2.gz QFZGFYVRBBGICA-HBNTYKKESA-N 1 2 281.381 0.869 40 0 CCABLO CNC(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3nccs3)C[C@H]2O1 ZINC000096058217 389045079 /nfs/dbraw/zinc/04/50/79/389045079.db2.gz QFZGFYVRBBGICA-HBNTYKKESA-N 1 2 281.381 0.869 40 0 CCABLO COc1ccccc1OC[C@H]1C[N@H+](CCO)CCO1 ZINC000217490835 389134436 /nfs/dbraw/zinc/13/44/36/389134436.db2.gz NLIHXWWANJWSPT-GFCCVEGCSA-N 1 2 267.325 0.767 40 0 CCABLO COc1ccccc1OC[C@H]1C[N@@H+](CCO)CCO1 ZINC000217490835 389134439 /nfs/dbraw/zinc/13/44/39/389134439.db2.gz NLIHXWWANJWSPT-GFCCVEGCSA-N 1 2 267.325 0.767 40 0 CCABLO CN(CC[NH+]1CCN(C)CC1)c1ccnc(Cl)n1 ZINC000038579693 174147579 /nfs/dbraw/zinc/14/75/79/174147579.db2.gz JQMVUBSWUVJMKD-UHFFFAOYSA-N 1 2 269.780 0.814 40 0 CCABLO CCOC(=O)CNC(=O)C[NH+]1Cc2ccccc2C1 ZINC000409196708 261147473 /nfs/dbraw/zinc/14/74/73/261147473.db2.gz YSSGWINWWZIFNX-UHFFFAOYSA-N 1 2 262.309 0.682 40 0 CCABLO NC(=O)C[NH+]1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000012183426 303250255 /nfs/dbraw/zinc/25/02/55/303250255.db2.gz YCFHBPMHDVFIJP-UHFFFAOYSA-N 1 2 275.308 0.086 40 0 CCABLO [NH3+][C@H](c1nnc(Cn2cncn2)[nH]1)c1ccccc1 ZINC000095533418 185005871 /nfs/dbraw/zinc/00/58/71/185005871.db2.gz LRJZRLYTSPYAEX-NSHDSACASA-N 1 2 255.285 0.493 40 0 CCABLO COc1ccc([C@H]([NH3+])c2nc(CO)n[nH]2)cc1OC ZINC000095533912 185005968 /nfs/dbraw/zinc/00/59/68/185005968.db2.gz FJRJRYDKTLRGGC-NSHDSACASA-N 1 2 264.285 0.362 40 0 CCABLO CC(C)[N@@H+]1CCO[C@H]2CN(C(=O)c3cnccn3)C[C@H]21 ZINC000096054285 185075417 /nfs/dbraw/zinc/07/54/17/185075417.db2.gz KYEBNHYCGZGKPR-OLZOCXBDSA-N 1 2 276.340 0.410 40 0 CCABLO CC(C)[N@H+]1CCO[C@H]2CN(C(=O)c3cnccn3)C[C@H]21 ZINC000096054285 185075418 /nfs/dbraw/zinc/07/54/18/185075418.db2.gz KYEBNHYCGZGKPR-OLZOCXBDSA-N 1 2 276.340 0.410 40 0 CCABLO O=C1CO[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2N1CC1CC1 ZINC000096054259 185075544 /nfs/dbraw/zinc/07/55/44/185075544.db2.gz YTGJLWJQEYFYEE-HUUCEWRRSA-N 1 2 287.363 0.903 40 0 CCABLO O=C1CO[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2N1CC1CC1 ZINC000096054259 185075546 /nfs/dbraw/zinc/07/55/46/185075546.db2.gz YTGJLWJQEYFYEE-HUUCEWRRSA-N 1 2 287.363 0.903 40 0 CCABLO CCn1nnc2c1[C@@H](COC)C[N@H+](Cc1cnn(C)c1)C2 ZINC000096060828 185082377 /nfs/dbraw/zinc/08/23/77/185082377.db2.gz OTHQFMCYQNWCEY-GFCCVEGCSA-N 1 2 290.371 0.777 40 0 CCABLO CCn1nnc2c1[C@@H](COC)C[N@@H+](Cc1cnn(C)c1)C2 ZINC000096060828 185082378 /nfs/dbraw/zinc/08/23/78/185082378.db2.gz OTHQFMCYQNWCEY-GFCCVEGCSA-N 1 2 290.371 0.777 40 0 CCABLO COCCNC(=O)N1CC[NH+](C[C@@H](O)c2ccco2)CC1 ZINC000085466874 179072597 /nfs/dbraw/zinc/07/25/97/179072597.db2.gz LWIKMFMBKRNACQ-GFCCVEGCSA-N 1 2 297.355 0.287 40 0 CCABLO OCC[NH+]1CCN(C(=S)c2ccc(O)cc2)CC1 ZINC000013547458 348027452 /nfs/dbraw/zinc/02/74/52/348027452.db2.gz QNSSHJOJSKWXBX-UHFFFAOYSA-N 1 2 266.366 0.678 40 0 CCABLO CN(C)c1ncc(C[NH2+][C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cn1 ZINC000218760424 351961866 /nfs/dbraw/zinc/96/18/66/351961866.db2.gz MSQZFEJMBIPTOI-LLVKDONJSA-N 1 2 290.327 0.051 40 0 CCABLO CN(C)c1ncc(C[NH2+][C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cn1 ZINC000218760424 351961869 /nfs/dbraw/zinc/96/18/69/351961869.db2.gz MSQZFEJMBIPTOI-LLVKDONJSA-N 1 2 290.327 0.051 40 0 CCABLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)Cc2ccon2)C1 ZINC000333037280 354748074 /nfs/dbraw/zinc/74/80/74/354748074.db2.gz NSHXLWKNGKQLED-CQSZACIVSA-N 1 2 293.367 0.786 40 0 CCABLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)Cc2ccon2)C1 ZINC000333037280 354748075 /nfs/dbraw/zinc/74/80/75/354748075.db2.gz NSHXLWKNGKQLED-CQSZACIVSA-N 1 2 293.367 0.786 40 0 CCABLO CNc1cc(-c2ccccc2)[nH+]c(N[C@H](C)CO)n1 ZINC000329035917 202162787 /nfs/dbraw/zinc/16/27/87/202162787.db2.gz RGLXXJRHXBXTPS-SNVBAGLBSA-N 1 2 258.325 0.822 40 0 CCABLO CO[C@@]1(CCC(N)=O)CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000585275214 359256926 /nfs/dbraw/zinc/25/69/26/359256926.db2.gz ALCVXBFURJSLMN-CYBMUJFWSA-N 1 2 266.345 0.656 40 0 CCABLO CO[C@@]1(CCC(N)=O)CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000585275214 359256928 /nfs/dbraw/zinc/25/69/28/359256928.db2.gz ALCVXBFURJSLMN-CYBMUJFWSA-N 1 2 266.345 0.656 40 0 CCABLO CO[C@H]1C[N@H+](Cc2ncc[nH]2)C[C@H]1CC(=O)N(C)C ZINC000585275719 359258108 /nfs/dbraw/zinc/25/81/08/359258108.db2.gz IQTSQVUQLMPRAH-MNOVXSKESA-N 1 2 266.345 0.335 40 0 CCABLO CO[C@H]1C[N@@H+](Cc2ncc[nH]2)C[C@H]1CC(=O)N(C)C ZINC000585275719 359258111 /nfs/dbraw/zinc/25/81/11/359258111.db2.gz IQTSQVUQLMPRAH-MNOVXSKESA-N 1 2 266.345 0.335 40 0 CCABLO Cc1noc(C)c1C(=O)N[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257214141 190012769 /nfs/dbraw/zinc/01/27/69/190012769.db2.gz CKSLGFQQTKXBBV-NQBHXWOUSA-N 1 2 290.323 0.982 40 0 CCABLO c1nc(C[N@H+]2CCOC[C@@H](Cc3ccncn3)C2)c[nH]1 ZINC000257318883 190033673 /nfs/dbraw/zinc/03/36/73/190033673.db2.gz VPUWSCDIPZJGKL-LBPRGKRZSA-N 1 2 273.340 0.891 40 0 CCABLO c1nc(C[N@@H+]2CCOC[C@@H](Cc3ccncn3)C2)c[nH]1 ZINC000257318883 190033674 /nfs/dbraw/zinc/03/36/74/190033674.db2.gz VPUWSCDIPZJGKL-LBPRGKRZSA-N 1 2 273.340 0.891 40 0 CCABLO c1ncc(C[N@H+]2CCOC[C@@H](Cc3ccncn3)C2)[nH]1 ZINC000257318883 190033675 /nfs/dbraw/zinc/03/36/75/190033675.db2.gz VPUWSCDIPZJGKL-LBPRGKRZSA-N 1 2 273.340 0.891 40 0 CCABLO c1ncc(C[N@@H+]2CCOC[C@@H](Cc3ccncn3)C2)[nH]1 ZINC000257318883 190033676 /nfs/dbraw/zinc/03/36/76/190033676.db2.gz VPUWSCDIPZJGKL-LBPRGKRZSA-N 1 2 273.340 0.891 40 0 CCABLO CC[NH+](CC)CCNC(=O)[C@@]1(C)CN(C(C)=O)CCO1 ZINC000257324175 190034206 /nfs/dbraw/zinc/03/42/06/190034206.db2.gz WNNOFRKQDCWBHU-CQSZACIVSA-N 1 2 285.388 0.082 40 0 CCABLO CCS(=O)(=O)N1CCC2(C[NH+](Cc3ccncc3)C2)C1 ZINC000096202679 389051103 /nfs/dbraw/zinc/05/11/03/389051103.db2.gz HWGFVJAXXVRKCS-UHFFFAOYSA-N 1 2 295.408 0.939 40 0 CCABLO COc1cc2[nH+]cn([C@H]3C[C@H](O)[C@H](CO)O3)c2cc1OC ZINC000004824007 170023633 /nfs/dbraw/zinc/02/36/33/170023633.db2.gz NMELIIRNNKJYFR-LEWSCRJBSA-N 1 2 294.307 0.694 40 0 CCABLO COc1cc2[nH+]cn([C@@H]3C[C@@H](O)[C@H](CO)O3)c2cc1OC ZINC000004824009 170024000 /nfs/dbraw/zinc/02/40/00/170024000.db2.gz NMELIIRNNKJYFR-SWHYSGLUSA-N 1 2 294.307 0.694 40 0 CCABLO Cc1cc(C)[n+](-c2nnc(S(N)(=O)=O)s2)c(C)c1 ZINC000005922190 170156088 /nfs/dbraw/zinc/15/60/88/170156088.db2.gz RUYVGGVLYMABJE-UHFFFAOYSA-N 1 2 285.374 0.387 40 0 CCABLO CN(CC[NH+]1CCOCC1)c1ccnc(Cl)n1 ZINC000038579692 174147660 /nfs/dbraw/zinc/14/76/60/174147660.db2.gz HXLCFNDGJHJDRH-UHFFFAOYSA-N 1 2 256.737 0.898 40 0 CCABLO CCCc1ncc(C[N@@H+]2CCO[C@](C)(C(=O)NC)C2)cn1 ZINC000019746929 348069331 /nfs/dbraw/zinc/06/93/31/348069331.db2.gz HAVABHALCRHNKE-HNNXBMFYSA-N 1 2 292.383 0.766 40 0 CCABLO CCCc1ncc(C[N@H+]2CCO[C@](C)(C(=O)NC)C2)cn1 ZINC000019746929 348069332 /nfs/dbraw/zinc/06/93/32/348069332.db2.gz HAVABHALCRHNKE-HNNXBMFYSA-N 1 2 292.383 0.766 40 0 CCABLO O[C@H](C[NH+]1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000019785016 348070170 /nfs/dbraw/zinc/07/01/70/348070170.db2.gz KQLFMJGLIOYGBR-GFCCVEGCSA-N 1 2 265.309 0.823 40 0 CCABLO O=S1(=O)CC[C@@H]([N@H+](CCO)Cc2ccccc2)C1 ZINC000049854611 348460667 /nfs/dbraw/zinc/46/06/67/348460667.db2.gz AZHUUIMYWREBKB-CYBMUJFWSA-N 1 2 269.366 0.668 40 0 CCABLO O=S1(=O)CC[C@@H]([N@@H+](CCO)Cc2ccccc2)C1 ZINC000049854611 348460671 /nfs/dbraw/zinc/46/06/71/348460671.db2.gz AZHUUIMYWREBKB-CYBMUJFWSA-N 1 2 269.366 0.668 40 0 CCABLO Cc1cc(N2CCO[C@H](c3ccc(C(N)=O)cn3)C2)nc[nH+]1 ZINC000072388001 348922581 /nfs/dbraw/zinc/92/25/81/348922581.db2.gz MKTNHLHVFFIVGV-ZDUSSCGKSA-N 1 2 299.334 0.857 40 0 CCABLO Nn1c(CN2CCCCC2)nnc1C[NH+]1CCCCC1 ZINC000225148647 352000303 /nfs/dbraw/zinc/00/03/03/352000303.db2.gz HUKGLIKMUGCVOS-UHFFFAOYSA-N 1 2 278.404 0.964 40 0 CCABLO Cc1ccnc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225175388 352000410 /nfs/dbraw/zinc/00/04/10/352000410.db2.gz ZIPPFLFOKIJMSJ-UHFFFAOYSA-N 1 2 281.385 0.404 40 0 CCABLO C[N@H+]1Cc2ccnn2[C@H](CC(=O)N2CCCCO2)C1 ZINC000248090006 352431307 /nfs/dbraw/zinc/43/13/07/352431307.db2.gz UZHDURKOZFKOPC-GFCCVEGCSA-N 1 2 264.329 0.814 40 0 CCABLO C[N@@H+]1Cc2ccnn2[C@H](CC(=O)N2CCCCO2)C1 ZINC000248090006 352431310 /nfs/dbraw/zinc/43/13/10/352431310.db2.gz UZHDURKOZFKOPC-GFCCVEGCSA-N 1 2 264.329 0.814 40 0 CCABLO CC(=O)N1C[C@@H]2CN(C(=O)C3CC3)CC[N@@H+]2C(C)(C)C1 ZINC000253405553 352532836 /nfs/dbraw/zinc/53/28/36/352532836.db2.gz SPUHNPYCCNYJOW-ZDUSSCGKSA-N 1 2 279.384 0.550 40 0 biogenic,in-vitro CCABLO CC(=O)N1C[C@@H]2CN(C(=O)C3CC3)CC[N@H+]2C(C)(C)C1 ZINC000253405553 352532841 /nfs/dbraw/zinc/53/28/41/352532841.db2.gz SPUHNPYCCNYJOW-ZDUSSCGKSA-N 1 2 279.384 0.550 40 0 biogenic,in-vitro CCABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@@H]2CO)n(C)n1 ZINC000585094913 359245549 /nfs/dbraw/zinc/24/55/49/359245549.db2.gz UCSHLMUBZVLZQT-GFCCVEGCSA-N 1 2 275.356 0.381 40 0 CCABLO Cc1noc(C)c1CN1Cc2[nH+]cn(C)c2C[C@@H]1CO ZINC000585094879 359246633 /nfs/dbraw/zinc/24/66/33/359246633.db2.gz RUPHDQAPVVZYKG-LLVKDONJSA-N 1 2 276.340 0.944 40 0 CCABLO Cc1c[nH]c([C@H]2COCCN2C(=O)Cn2cccn2)[nH+]1 ZINC000585181450 359254896 /nfs/dbraw/zinc/25/48/96/359254896.db2.gz HFAIGOOOSXBVKZ-LLVKDONJSA-N 1 2 275.312 0.515 40 0 CCABLO Cn1cnc(C[N@@H+]2CC[C@H](O)[C@]3(CCCO3)C2)c1 ZINC000257231997 190016847 /nfs/dbraw/zinc/01/68/47/190016847.db2.gz GIYFJIPQTPAZLH-STQMWFEESA-N 1 2 251.330 0.536 40 0 CCABLO Cn1cnc(C[N@H+]2CC[C@H](O)[C@]3(CCCO3)C2)c1 ZINC000257231997 190016848 /nfs/dbraw/zinc/01/68/48/190016848.db2.gz GIYFJIPQTPAZLH-STQMWFEESA-N 1 2 251.330 0.536 40 0 CCABLO CN(C)C(=O)[C@H]1CN(C)CC[N@H+](Cc2ccccn2)C1 ZINC000257255536 190020608 /nfs/dbraw/zinc/02/06/08/190020608.db2.gz KHVXDOLFLVZYSA-ZDUSSCGKSA-N 1 2 276.384 0.533 40 0 CCABLO CN(C)C(=O)[C@H]1CN(C)CC[N@@H+](Cc2ccccn2)C1 ZINC000257255536 190020609 /nfs/dbraw/zinc/02/06/09/190020609.db2.gz KHVXDOLFLVZYSA-ZDUSSCGKSA-N 1 2 276.384 0.533 40 0 CCABLO Cc1nccc([C@@H]2C[N@H+](CC3(O)CCOCC3)CCO2)n1 ZINC000257238203 190017747 /nfs/dbraw/zinc/01/77/47/190017747.db2.gz HJZCZBGCAJHTQN-AWEZNQCLSA-N 1 2 293.367 0.700 40 0 CCABLO Cc1nccc([C@@H]2C[N@@H+](CC3(O)CCOCC3)CCO2)n1 ZINC000257238203 190017748 /nfs/dbraw/zinc/01/77/48/190017748.db2.gz HJZCZBGCAJHTQN-AWEZNQCLSA-N 1 2 293.367 0.700 40 0 CCABLO Cc1c[nH]c([C@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)[nH+]1 ZINC000257248420 190019813 /nfs/dbraw/zinc/01/98/13/190019813.db2.gz JDQPGLVEFFWFNI-JTQLQIEISA-N 1 2 295.368 0.630 40 0 CCABLO O=C(Cn1cc[nH+]c1)N1CCOC[C@@H]1c1cc[nH]n1 ZINC000257255992 190021362 /nfs/dbraw/zinc/02/13/62/190021362.db2.gz KJRMMQFENGQUDR-LLVKDONJSA-N 1 2 261.285 0.206 40 0 CCABLO Cc1cn(C)c([C@H]2CCN(C(=O)CN3CCOCC3)C2)[nH+]1 ZINC000257259273 190021680 /nfs/dbraw/zinc/02/16/80/190021680.db2.gz KXPIEWOZVYSIGE-ZDUSSCGKSA-N 1 2 292.383 0.377 40 0 CCABLO O=C(c1ccc(F)cc1)N1C[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257294013 190028184 /nfs/dbraw/zinc/02/81/84/190028184.db2.gz QSBOEKRVRYCCKH-ZIAGYGMSSA-N 1 2 294.326 0.343 40 0 CCABLO CNC(=O)[C@@H]1C[N@H+](Cc2cccc(F)c2)CCN1C(C)=O ZINC000257320036 190033786 /nfs/dbraw/zinc/03/37/86/190033786.db2.gz VVBKERVVAWHTHX-AWEZNQCLSA-N 1 2 293.342 0.604 40 0 CCABLO CNC(=O)[C@@H]1C[N@@H+](Cc2cccc(F)c2)CCN1C(C)=O ZINC000257320036 190033787 /nfs/dbraw/zinc/03/37/87/190033787.db2.gz VVBKERVVAWHTHX-AWEZNQCLSA-N 1 2 293.342 0.604 40 0 CCABLO CN(C)C(=O)c1nn(C)c2c1C[N@H+](CC1CCOCC1)C2 ZINC000096187538 389048380 /nfs/dbraw/zinc/04/83/80/389048380.db2.gz NNPWTDHLDHRJFP-UHFFFAOYSA-N 1 2 292.383 0.864 40 0 CCABLO CN(C)C(=O)c1nn(C)c2c1C[N@@H+](CC1CCOCC1)C2 ZINC000096187538 389048383 /nfs/dbraw/zinc/04/83/83/389048383.db2.gz NNPWTDHLDHRJFP-UHFFFAOYSA-N 1 2 292.383 0.864 40 0 CCABLO C[NH+](C)Cc1nnn2c1CN(C(=O)[C@@H]1CCCO1)CCC2 ZINC000096259479 389058070 /nfs/dbraw/zinc/05/80/70/389058070.db2.gz JGMCIUBGVLJOCD-ZDUSSCGKSA-N 1 2 293.371 0.251 40 0 CCABLO CC(=O)N1CC[NH2+][C@H](C(=O)NC2CCCCC2)C1 ZINC000257322605 389269272 /nfs/dbraw/zinc/26/92/72/389269272.db2.gz WGQWOCMIHXEKAY-LBPRGKRZSA-N 1 2 253.346 0.256 40 0 CCABLO C[N@@H+]1C[C@H]2NS(=O)(=O)c3ccccc3O[C@H]2C1 ZINC000514290203 390466493 /nfs/dbraw/zinc/46/64/93/390466493.db2.gz VMCKDJFZCQFCRI-SCZZXKLOSA-N 1 2 254.311 0.040 40 0 biogenic,in-vitro CCABLO C[N@H+]1C[C@H]2NS(=O)(=O)c3ccccc3O[C@H]2C1 ZINC000514290203 390466498 /nfs/dbraw/zinc/46/64/98/390466498.db2.gz VMCKDJFZCQFCRI-SCZZXKLOSA-N 1 2 254.311 0.040 40 0 biogenic,in-vitro CCABLO COc1ccc(C[N@@H+]2CCN(C(C)=O)[C@@H](C(N)=O)C2)cc1 ZINC000072350938 176373907 /nfs/dbraw/zinc/37/39/07/176373907.db2.gz QACIGOJNTSVDMT-CQSZACIVSA-N 1 2 291.351 0.213 40 0 CCABLO COc1ccc(C[N@H+]2CCN(C(C)=O)[C@@H](C(N)=O)C2)cc1 ZINC000072350938 176373909 /nfs/dbraw/zinc/37/39/09/176373909.db2.gz QACIGOJNTSVDMT-CQSZACIVSA-N 1 2 291.351 0.213 40 0 CCABLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C3CCOCC3)C[C@@H]21 ZINC000108528049 290111457 /nfs/dbraw/zinc/11/14/57/290111457.db2.gz BAZSDWAQCJMSPV-STQMWFEESA-N 1 2 268.357 0.345 40 0 CCABLO C[N@H+]1CCO[C@H]2CCN(C(=O)C3CCOCC3)C[C@@H]21 ZINC000108528049 290111462 /nfs/dbraw/zinc/11/14/62/290111462.db2.gz BAZSDWAQCJMSPV-STQMWFEESA-N 1 2 268.357 0.345 40 0 CCABLO Cn1cccc1C[NH+]1CC2(C1)CCN(S(C)(=O)=O)C2 ZINC000096070865 185086448 /nfs/dbraw/zinc/08/64/48/185086448.db2.gz SUAYZZZQNCHJSM-UHFFFAOYSA-N 1 2 283.397 0.492 40 0 CCABLO CCOC(=O)c1[nH]c(=O)[nH]c1C[NH2+]Cc1ccco1 ZINC000005473548 348001078 /nfs/dbraw/zinc/00/10/78/348001078.db2.gz GJWSYTUYCYMHHA-UHFFFAOYSA-N 1 2 265.269 0.763 40 0 CCABLO CNC(=O)[C@]1(C)C[N@H+](Cc2cccnc2NC)CCO1 ZINC000019746899 348069345 /nfs/dbraw/zinc/06/93/45/348069345.db2.gz LKDVGNSXTCKHFW-AWEZNQCLSA-N 1 2 278.356 0.460 40 0 CCABLO CNC(=O)[C@]1(C)C[N@@H+](Cc2cccnc2NC)CCO1 ZINC000019746899 348069346 /nfs/dbraw/zinc/06/93/46/348069346.db2.gz LKDVGNSXTCKHFW-AWEZNQCLSA-N 1 2 278.356 0.460 40 0 CCABLO O=C1CCCc2nc(N3CC[NH+](CCO)CC3)ncc21 ZINC000021123163 348078721 /nfs/dbraw/zinc/07/87/21/348078721.db2.gz BLZIXICZEWQAOS-UHFFFAOYSA-N 1 2 276.340 0.110 40 0 CCABLO O=S1(=O)CC[C@H]([N@H+](CCO)Cc2ccccc2)C1 ZINC000049854613 348460191 /nfs/dbraw/zinc/46/01/91/348460191.db2.gz AZHUUIMYWREBKB-ZDUSSCGKSA-N 1 2 269.366 0.668 40 0 CCABLO O=S1(=O)CC[C@H]([N@@H+](CCO)Cc2ccccc2)C1 ZINC000049854613 348460193 /nfs/dbraw/zinc/46/01/93/348460193.db2.gz AZHUUIMYWREBKB-ZDUSSCGKSA-N 1 2 269.366 0.668 40 0 CCABLO Cc1ccc(C[N@H+](CCO)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000072970832 348939292 /nfs/dbraw/zinc/93/92/92/348939292.db2.gz RQHSNETUBVBQSS-CQSZACIVSA-N 1 2 283.393 0.976 40 0 CCABLO Cc1ccc(C[N@@H+](CCO)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000072970832 348939295 /nfs/dbraw/zinc/93/92/95/348939295.db2.gz RQHSNETUBVBQSS-CQSZACIVSA-N 1 2 283.393 0.976 40 0 CCABLO COC(=O)/C=C/c1[nH+]cn(C)c1C[C@H](O)C(C)(C)O ZINC000225404196 352003799 /nfs/dbraw/zinc/00/37/99/352003799.db2.gz HKSAAHVGSJQFHP-QRGHLMKCSA-N 1 2 268.313 0.281 40 0 biogenic,in-vitro CCABLO COCC(=O)NC[C@H]1C[N@@H+](C(C)C)Cc2ccnn21 ZINC000248017241 352429485 /nfs/dbraw/zinc/42/94/85/352429485.db2.gz SXNLDMWLFMMTCG-LBPRGKRZSA-N 1 2 266.345 0.411 40 0 CCABLO COCC(=O)NC[C@H]1C[N@H+](C(C)C)Cc2ccnn21 ZINC000248017241 352429490 /nfs/dbraw/zinc/42/94/90/352429490.db2.gz SXNLDMWLFMMTCG-LBPRGKRZSA-N 1 2 266.345 0.411 40 0 CCABLO CCNc1cc(-c2ccncc2)[nH+]c(NCCCO)n1 ZINC000328981162 202141057 /nfs/dbraw/zinc/14/10/57/202141057.db2.gz GRKZGQQRJAWRKO-UHFFFAOYSA-N 1 2 273.340 0.609 40 0 CCABLO Cn1c[nH+]c2c1C[C@H](CO)N(C(=O)[C@@H]1CCCS1)C2 ZINC000585094696 359245614 /nfs/dbraw/zinc/24/56/14/359245614.db2.gz HUVCRLBIEIZKMM-SKDRFNHKSA-N 1 2 281.381 0.561 40 0 CCABLO Cc1cc(C[N@@H+]2Cc3ccnn3CC[C@@H]2CO)n(C)n1 ZINC000585097630 359247429 /nfs/dbraw/zinc/24/74/29/359247429.db2.gz OHSOCUVOELNCKO-CYBMUJFWSA-N 1 2 275.356 0.692 40 0 CCABLO Cc1cc(C[N@H+]2Cc3ccnn3CC[C@@H]2CO)n(C)n1 ZINC000585097630 359247431 /nfs/dbraw/zinc/24/74/31/359247431.db2.gz OHSOCUVOELNCKO-CYBMUJFWSA-N 1 2 275.356 0.692 40 0 CCABLO Cc1cc(C[N@@H+]2Cc3ccnn3CC[C@H]2CO)n(C)n1 ZINC000585097631 359247494 /nfs/dbraw/zinc/24/74/94/359247494.db2.gz OHSOCUVOELNCKO-ZDUSSCGKSA-N 1 2 275.356 0.692 40 0 CCABLO Cc1cc(C[N@H+]2Cc3ccnn3CC[C@H]2CO)n(C)n1 ZINC000585097631 359247498 /nfs/dbraw/zinc/24/74/98/359247498.db2.gz OHSOCUVOELNCKO-ZDUSSCGKSA-N 1 2 275.356 0.692 40 0 CCABLO Cc1cc(CN2Cc3c[nH+]cn3[C@@H](C(=O)N(C)C)C2)no1 ZINC000248007695 189944139 /nfs/dbraw/zinc/94/41/39/189944139.db2.gz OWKVMJSRWVMQBV-CYBMUJFWSA-N 1 2 289.339 0.825 40 0 CCABLO COc1cccc(C[N@@H+]2CCN(C(C)=O)[C@@H](C(N)=O)C2)c1 ZINC000257206283 190011626 /nfs/dbraw/zinc/01/16/26/190011626.db2.gz BCRYKWQALQQZLD-CQSZACIVSA-N 1 2 291.351 0.213 40 0 CCABLO COc1cccc(C[N@H+]2CCN(C(C)=O)[C@@H](C(N)=O)C2)c1 ZINC000257206283 190011627 /nfs/dbraw/zinc/01/16/27/190011627.db2.gz BCRYKWQALQQZLD-CQSZACIVSA-N 1 2 291.351 0.213 40 0 CCABLO COc1ccccc1C[N@@H+]1CCN(C(C)=O)[C@H](C(N)=O)C1 ZINC000257278561 190025661 /nfs/dbraw/zinc/02/56/61/190025661.db2.gz OCSCLLJPKUCLIA-ZDUSSCGKSA-N 1 2 291.351 0.213 40 0 CCABLO COc1ccccc1C[N@H+]1CCN(C(C)=O)[C@H](C(N)=O)C1 ZINC000257278561 190025662 /nfs/dbraw/zinc/02/56/62/190025662.db2.gz OCSCLLJPKUCLIA-ZDUSSCGKSA-N 1 2 291.351 0.213 40 0 CCABLO CC(=O)NCC(=O)N1CCC[C@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257298273 190029372 /nfs/dbraw/zinc/02/93/72/190029372.db2.gz RKZZHHPMXKEANL-NSHDSACASA-N 1 2 264.329 0.560 40 0 CCABLO C[C@@]1(C(N)=O)C[N@H+](Cc2ccc3c(c2)OCCO3)CCO1 ZINC000257307962 190031315 /nfs/dbraw/zinc/03/13/15/190031315.db2.gz TUWUQRKDOCUUQY-HNNXBMFYSA-N 1 2 292.335 0.534 40 0 CCABLO C[C@@]1(C(N)=O)C[N@@H+](Cc2ccc3c(c2)OCCO3)CCO1 ZINC000257307962 190031316 /nfs/dbraw/zinc/03/13/16/190031316.db2.gz TUWUQRKDOCUUQY-HNNXBMFYSA-N 1 2 292.335 0.534 40 0 CCABLO CCOCC[N@@H+]1CCO[C@H](c2nc(C)cc(=O)[nH]2)C1 ZINC000257305886 190031339 /nfs/dbraw/zinc/03/13/39/190031339.db2.gz SRYKCXNUMUWNJS-NSHDSACASA-N 1 2 267.329 0.900 40 0 CCABLO CCOCC[N@H+]1CCO[C@H](c2nc(C)cc(=O)[nH]2)C1 ZINC000257305886 190031340 /nfs/dbraw/zinc/03/13/40/190031340.db2.gz SRYKCXNUMUWNJS-NSHDSACASA-N 1 2 267.329 0.900 40 0 CCABLO Cc1ccccc1C(=O)N1C[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257319137 190033319 /nfs/dbraw/zinc/03/33/19/190033319.db2.gz VQXXNNZPDCMJKW-HUUCEWRRSA-N 1 2 290.363 0.513 40 0 CCABLO O=S(=O)([O-])c1c[nH+]cc(Cl)c1N1CC[NH2+]CC1 ZINC000072210816 388960761 /nfs/dbraw/zinc/96/07/61/388960761.db2.gz LYRTZSWDAOARSS-UHFFFAOYSA-N 1 2 277.733 0.391 40 0 CCABLO CCOC(=O)[C@@H]1C(=O)[C@@H](C(=O)OCC)[C@@H](C)[NH2+][C@@H]1C ZINC000071255562 388957455 /nfs/dbraw/zinc/95/74/55/388957455.db2.gz XVOQMOGMRVWPRN-IMSYWVGJSA-N 1 2 271.313 0.294 40 0 CCABLO CCOC(=O)C1=C(O)[C@@H](C(=O)OCC)[C@@H](C)[NH2+][C@@H]1C ZINC000071255562 388957463 /nfs/dbraw/zinc/95/74/63/388957463.db2.gz XVOQMOGMRVWPRN-IMSYWVGJSA-N 1 2 271.313 0.294 40 0 CCABLO CC(C)[N@@H+]1CCc2ncn(C)c2[C@H]1C(=O)N1CCOCC1 ZINC000096147151 389045955 /nfs/dbraw/zinc/04/59/55/389045955.db2.gz LBTUICDOCMSANM-AWEZNQCLSA-N 1 2 292.383 0.587 40 0 CCABLO CC(C)[N@H+]1CCc2ncn(C)c2[C@H]1C(=O)N1CCOCC1 ZINC000096147151 389045958 /nfs/dbraw/zinc/04/59/58/389045958.db2.gz LBTUICDOCMSANM-AWEZNQCLSA-N 1 2 292.383 0.587 40 0 CCABLO O=C(NCC[NH+]1CCOCC1)c1cccc(Cl)n1 ZINC000039956834 174179171 /nfs/dbraw/zinc/17/91/71/174179171.db2.gz FZBZWKYEWZPVFE-UHFFFAOYSA-N 1 2 269.732 0.797 40 0 CCABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cn(C)nc2C)[nH+]1 ZINC000257200465 301024976 /nfs/dbraw/zinc/02/49/76/301024976.db2.gz ADLNVJMFRVXZQK-LBPRGKRZSA-N 1 2 289.339 0.974 40 0 CCABLO c1ncn(Cc2cnc3n2CC[N@@H+](Cc2cccnc2)C3)n1 ZINC000096061918 185082275 /nfs/dbraw/zinc/08/22/75/185082275.db2.gz QITCFXHSWVNISU-UHFFFAOYSA-N 1 2 295.350 0.934 40 0 CCABLO c1ncn(Cc2cnc3n2CC[N@H+](Cc2cccnc2)C3)n1 ZINC000096061918 185082276 /nfs/dbraw/zinc/08/22/76/185082276.db2.gz QITCFXHSWVNISU-UHFFFAOYSA-N 1 2 295.350 0.934 40 0 CCABLO CCOCC(=O)N1Cc2c(C[NH+](C)C)nn(C)c2C1 ZINC000096084466 185092482 /nfs/dbraw/zinc/09/24/82/185092482.db2.gz PMWHDOZWNOIBLP-UHFFFAOYSA-N 1 2 266.345 0.360 40 0 CCABLO NC(=O)c1cc(-c2ccc(-n3cc[nH+]c3)cc2)n[nH]c1=O ZINC000001636703 347958896 /nfs/dbraw/zinc/95/88/96/347958896.db2.gz DXETXLWHKVGQLG-UHFFFAOYSA-N 1 2 281.275 0.722 40 0 CCABLO O=C(NCC[NH+]1CCOCC1)c1ccnc(Cl)c1 ZINC000019813521 348070869 /nfs/dbraw/zinc/07/08/69/348070869.db2.gz YGNMNPAJETXTTD-UHFFFAOYSA-N 1 2 269.732 0.797 40 0 CCABLO Cc1cc(N2CCC[C@H](CCNS(C)(=O)=O)C2)nc[nH+]1 ZINC000072369027 348922541 /nfs/dbraw/zinc/92/25/41/348922541.db2.gz MBFORCOWRUWQNI-GFCCVEGCSA-N 1 2 298.412 0.941 40 0 CCABLO COc1ccc(OC[C@@H]2C[N@H+](CCO)CCO2)cc1 ZINC000217492353 351948367 /nfs/dbraw/zinc/94/83/67/351948367.db2.gz LKDMPBZQTZEMRI-AWEZNQCLSA-N 1 2 267.325 0.767 40 0 CCABLO COc1ccc(OC[C@@H]2C[N@@H+](CCO)CCO2)cc1 ZINC000217492353 351948368 /nfs/dbraw/zinc/94/83/68/351948368.db2.gz LKDMPBZQTZEMRI-AWEZNQCLSA-N 1 2 267.325 0.767 40 0 CCABLO CSc1ncc(C[NH2+][C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cn1 ZINC000218761550 351961556 /nfs/dbraw/zinc/96/15/56/351961556.db2.gz AIQYEBRXQJNBJI-JTQLQIEISA-N 1 2 293.352 0.707 40 0 CCABLO CSc1ncc(C[NH2+][C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cn1 ZINC000218761550 351961560 /nfs/dbraw/zinc/96/15/60/351961560.db2.gz AIQYEBRXQJNBJI-JTQLQIEISA-N 1 2 293.352 0.707 40 0 CCABLO CNC(=O)[C@@H]1CN(C(=O)c2ccoc2)Cc2c[nH+]cn21 ZINC000247942839 352427564 /nfs/dbraw/zinc/42/75/64/352427564.db2.gz JAWJJQPFMRIRDB-NSHDSACASA-N 1 2 274.280 0.419 40 0 CCABLO COCc1cncc2c1CC[N@H+](CC(=O)N(C)C)C2 ZINC000248036262 352430217 /nfs/dbraw/zinc/43/02/17/352430217.db2.gz UUHLPQYLQGTFKM-UHFFFAOYSA-N 1 2 263.341 0.674 40 0 CCABLO COCc1cncc2c1CC[N@@H+](CC(=O)N(C)C)C2 ZINC000248036262 352430223 /nfs/dbraw/zinc/43/02/23/352430223.db2.gz UUHLPQYLQGTFKM-UHFFFAOYSA-N 1 2 263.341 0.674 40 0 CCABLO COC[C@H]1CN(C(=O)c2cnn(C)c2)Cc2c[nH+]cn21 ZINC000248152254 352432856 /nfs/dbraw/zinc/43/28/56/352432856.db2.gz ULLPPOKXWHVZRR-GFCCVEGCSA-N 1 2 275.312 0.460 40 0 CCABLO COCc1nnc2n1CC[N@@H+](Cc1cn[nH]c1)[C@H]2C ZINC000585097276 359248370 /nfs/dbraw/zinc/24/83/70/359248370.db2.gz JNKWAXHSOBNBDQ-VIFPVBQESA-N 1 2 262.317 0.724 40 0 CCABLO COCc1nnc2n1CC[N@H+](Cc1cn[nH]c1)[C@H]2C ZINC000585097276 359248376 /nfs/dbraw/zinc/24/83/76/359248376.db2.gz JNKWAXHSOBNBDQ-VIFPVBQESA-N 1 2 262.317 0.724 40 0 CCABLO CCC[N@H+](Cc1cc(C)on1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585291620 359263730 /nfs/dbraw/zinc/26/37/30/359263730.db2.gz QTVLTKGFTVHNPU-UPJWGTAASA-N 1 2 270.329 0.316 40 0 CCABLO CCC[N@@H+](Cc1cc(C)on1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585291620 359263734 /nfs/dbraw/zinc/26/37/34/359263734.db2.gz QTVLTKGFTVHNPU-UPJWGTAASA-N 1 2 270.329 0.316 40 0 CCABLO Cc1[nH+]c2ccccn2c1CC(=O)N[C@@H]1CCCNC1=O ZINC000257206745 190011750 /nfs/dbraw/zinc/01/17/50/190011750.db2.gz BETKPQIUNSONJC-LLVKDONJSA-N 1 2 286.335 0.580 40 0 CCABLO Cc1c[nH]c([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)n1 ZINC000257273175 190024486 /nfs/dbraw/zinc/02/44/86/190024486.db2.gz NFNYAYLOSGEYQY-NSHDSACASA-N 1 2 275.312 0.584 40 0 CCABLO Cc1c[nH]c([C@@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)[nH+]1 ZINC000257298910 190029747 /nfs/dbraw/zinc/02/97/47/190029747.db2.gz RNUSJEYNEAJRTB-GFCCVEGCSA-N 1 2 278.356 0.366 40 0 CCABLO Cc1c[nH]c([C@@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)[nH+]1 ZINC000257298910 190029748 /nfs/dbraw/zinc/02/97/48/190029748.db2.gz RNUSJEYNEAJRTB-GFCCVEGCSA-N 1 2 278.356 0.366 40 0 CCABLO Cc1c[nH]c([C@H]2CCN(S(=O)(=O)c3cn[nH]c3)C2)[nH+]1 ZINC000257308985 190031219 /nfs/dbraw/zinc/03/12/19/190031219.db2.gz TZAMCJQEBFIXNB-VIFPVBQESA-N 1 2 281.341 0.619 40 0 CCABLO CCOC(=O)[C@H]1C(=O)[C@@H](C(=O)OCC)[C@@H](C)[N@@H+](C)[C@H]1C ZINC000071255572 388957720 /nfs/dbraw/zinc/95/77/20/388957720.db2.gz LAYGCYSGPGGRFL-CKIJPRSSSA-N 1 2 285.340 0.637 40 0 CCABLO CCOC(=O)[C@H]1C(=O)[C@@H](C(=O)OCC)[C@@H](C)[N@H+](C)[C@H]1C ZINC000071255572 388957722 /nfs/dbraw/zinc/95/77/22/388957722.db2.gz LAYGCYSGPGGRFL-CKIJPRSSSA-N 1 2 285.340 0.637 40 0 CCABLO C[NH+]1CCN(c2cc[nH+]cc2S(=O)(=O)[O-])CC1 ZINC000072210686 388960586 /nfs/dbraw/zinc/96/05/86/388960586.db2.gz DNFUEJVJLCENRE-UHFFFAOYSA-N 1 2 257.315 0.080 40 0 CCABLO Cn1cc(C[N@@H+]2CCn3cc(Cn4cccn4)nc3C2)cn1 ZINC000096197326 389050289 /nfs/dbraw/zinc/05/02/89/389050289.db2.gz OSMRVSBQQLLFQY-UHFFFAOYSA-N 1 2 297.366 0.877 40 0 CCABLO Cn1cc(C[N@H+]2CCn3cc(Cn4cccn4)nc3C2)cn1 ZINC000096197326 389050293 /nfs/dbraw/zinc/05/02/93/389050293.db2.gz OSMRVSBQQLLFQY-UHFFFAOYSA-N 1 2 297.366 0.877 40 0 CCABLO c1ncn(Cc2c[nH+]c3n2CCN([C@H]2CCOC2)C3)n1 ZINC000096201158 389051245 /nfs/dbraw/zinc/05/12/45/389051245.db2.gz OFCUNGYDYXABHM-NSHDSACASA-N 1 2 274.328 0.127 40 0 CCABLO COC[C@H]1Cn2cc[nH+]c2CN(C(=O)c2ccnnc2)C1 ZINC000096086771 285469672 /nfs/dbraw/zinc/46/96/72/285469672.db2.gz RVLXYVGVZHHPER-NSHDSACASA-N 1 2 287.323 0.592 40 0 CCABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCNC1=O ZINC000005627755 170121638 /nfs/dbraw/zinc/12/16/38/170121638.db2.gz TZBGBPICMKXENU-UHFFFAOYSA-N 1 2 258.281 0.897 40 0 CCABLO Cc1cc(SCC(=O)N2CC[NH+](C)CC2)[nH]c(=S)n1 ZINC000005926356 170156572 /nfs/dbraw/zinc/15/65/72/170156572.db2.gz PQVMCUZBUBPMLB-UHFFFAOYSA-N 1 2 298.437 0.940 40 0 CCABLO COCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000044845171 175264573 /nfs/dbraw/zinc/26/45/73/175264573.db2.gz PXKRMNUXNWSRNR-UHFFFAOYSA-N 1 2 278.352 0.895 40 0 CCABLO OCCc1cc(CC2([NH2+]Cc3ccco3)COC2)no1 ZINC000067897753 175801071 /nfs/dbraw/zinc/80/10/71/175801071.db2.gz DNQFRQGCXFLKPZ-UHFFFAOYSA-N 1 2 278.308 0.904 40 0 biogenic,in-vitro CCABLO NC(=O)C[N@@H+]1CCC[C@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072383080 176388386 /nfs/dbraw/zinc/38/83/86/176388386.db2.gz YYWMISYFFVMIOR-NSHDSACASA-N 1 2 299.338 0.632 40 0 CCABLO NC(=O)C[N@H+]1CCC[C@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072383080 176388388 /nfs/dbraw/zinc/38/83/88/176388388.db2.gz YYWMISYFFVMIOR-NSHDSACASA-N 1 2 299.338 0.632 40 0 CCABLO Cc1cccc(C[N@@H+]2CCN3C(=O)N(C)C[C@H]3C2)n1 ZINC000077266845 177247250 /nfs/dbraw/zinc/24/72/50/177247250.db2.gz NGZXPSSCKPHOOL-ZDUSSCGKSA-N 1 2 260.341 0.942 40 0 biogenic,in-vitro CCABLO Cc1cccc(C[N@H+]2CCN3C(=O)N(C)C[C@H]3C2)n1 ZINC000077266845 177247251 /nfs/dbraw/zinc/24/72/51/177247251.db2.gz NGZXPSSCKPHOOL-ZDUSSCGKSA-N 1 2 260.341 0.942 40 0 biogenic,in-vitro CCABLO CC(C)N1C(=O)CO[C@H]2CN(Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000067897203 277576399 /nfs/dbraw/zinc/57/63/99/277576399.db2.gz WPJSZGRCQBCVNY-MNOVXSKESA-N 1 2 264.329 0.230 40 0 biogenic,in-vitro CCABLO C[C@H]1[NH2+]CCn2cc(C(=O)N3CC(F)(F)C3)nc21 ZINC000306123375 328424250 /nfs/dbraw/zinc/42/42/50/328424250.db2.gz ALRGOSJSWGGPJC-SSDOTTSWSA-N 1 2 256.256 0.638 40 0 CCABLO CNC(=O)[C@@H]1CN(Cc2nccn2C)CC[N@@H+]1C(C)C ZINC000248159731 334296151 /nfs/dbraw/zinc/29/61/51/334296151.db2.gz XBLOUFBGQWUKEY-LBPRGKRZSA-N 1 2 279.388 0.061 40 0 CCABLO CNC(=O)[C@@H]1CN(Cc2nccn2C)CC[N@H+]1C(C)C ZINC000248159731 334296153 /nfs/dbraw/zinc/29/61/53/334296153.db2.gz XBLOUFBGQWUKEY-LBPRGKRZSA-N 1 2 279.388 0.061 40 0 CCABLO CCNc1cc(-c2ccncc2)[nH+]c(NCCO)n1 ZINC000329059491 528006360 /nfs/dbraw/zinc/00/63/60/528006360.db2.gz WGUFSDWQFMIAIN-UHFFFAOYSA-N 1 2 259.313 0.218 40 0 CCABLO COCC(=O)N1CCn2c(Cn3cccn3)c[nH+]c2[C@@H]1C ZINC000096062075 185082349 /nfs/dbraw/zinc/08/23/49/185082349.db2.gz FYZADISRNVKXGF-NSHDSACASA-N 1 2 289.339 0.678 40 0 CCABLO Cc1ccc(C[N@@H+](C)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000037487578 348189267 /nfs/dbraw/zinc/18/92/67/348189267.db2.gz UAWYGOGMEQHEAV-OLZOCXBDSA-N 1 2 269.366 0.585 40 0 CCABLO Cc1ccc(C[N@H+](C)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000037487578 348189272 /nfs/dbraw/zinc/18/92/72/348189272.db2.gz UAWYGOGMEQHEAV-OLZOCXBDSA-N 1 2 269.366 0.585 40 0 CCABLO CC(=O)N1CCN(c2ccc([NH3+])cc2-n2cnnc2)CC1 ZINC000070461820 348891022 /nfs/dbraw/zinc/89/10/22/348891022.db2.gz WKPSNPQTUYWTDN-UHFFFAOYSA-N 1 2 286.339 0.518 40 0 CCABLO Cn1cc(C[N@@H+]2CCO[C@@H]3[C@@H](CO)CC[C@H]32)cn1 ZINC000107803742 186192057 /nfs/dbraw/zinc/19/20/57/186192057.db2.gz FYSBOQUOJXQKJR-JHJVBQTASA-N 1 2 251.330 0.392 40 0 CCABLO Cn1cc(C[N@H+]2CCO[C@@H]3[C@@H](CO)CC[C@H]32)cn1 ZINC000107803742 186192059 /nfs/dbraw/zinc/19/20/59/186192059.db2.gz FYSBOQUOJXQKJR-JHJVBQTASA-N 1 2 251.330 0.392 40 0 CCABLO Cc1ccc(C[N@@H+](C)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000251493867 352510155 /nfs/dbraw/zinc/51/01/55/352510155.db2.gz UAWYGOGMEQHEAV-CHWSQXEVSA-N 1 2 269.366 0.585 40 0 CCABLO Cc1ccc(C[N@H+](C)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000251493867 352510158 /nfs/dbraw/zinc/51/01/58/352510158.db2.gz UAWYGOGMEQHEAV-CHWSQXEVSA-N 1 2 269.366 0.585 40 0 CCABLO CCS(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000257280400 352552668 /nfs/dbraw/zinc/55/26/68/352552668.db2.gz OKRHRTQBNRFRAV-GFCCVEGCSA-N 1 2 284.381 0.991 40 0 CCABLO Cn1c[nH+]c2c1C[C@@H](CO)N(C(=O)c1ccccn1)C2 ZINC000585094761 359246688 /nfs/dbraw/zinc/24/66/88/359246688.db2.gz LQFJBVORBBPRNG-JTQLQIEISA-N 1 2 272.308 0.375 40 0 CCABLO CCCC(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NC)C1 ZINC000585096093 359248206 /nfs/dbraw/zinc/24/82/06/359248206.db2.gz QIUMULSMKBSBBS-SNVBAGLBSA-N 1 2 250.302 0.313 40 0 CCABLO CC(=O)NCc1c[nH+]c([C@H]2CCN(c3ncccn3)C2)[nH]1 ZINC000257320006 190033600 /nfs/dbraw/zinc/03/36/00/190033600.db2.gz VUYIKNGVZCRTRY-NSHDSACASA-N 1 2 286.339 0.830 40 0 CCABLO CC(=O)NCc1c[nH]c([C@H]2CCN(c3ncccn3)C2)[nH+]1 ZINC000257320006 190033601 /nfs/dbraw/zinc/03/36/01/190033601.db2.gz VUYIKNGVZCRTRY-NSHDSACASA-N 1 2 286.339 0.830 40 0 CCABLO [NH3+]Cc1nc(CS(=O)(=O)Cc2ccccc2)no1 ZINC000247754106 256697315 /nfs/dbraw/zinc/69/73/15/256697315.db2.gz VAVWEOYZLNUCIB-UHFFFAOYSA-N 1 2 267.310 0.643 40 0 CCABLO C[NH+]1CCN(S(=O)(=O)c2cncc(Cl)c2N)CC1 ZINC000072210789 388960685 /nfs/dbraw/zinc/96/06/85/388960685.db2.gz MOJYIICFGOXMCV-UHFFFAOYSA-N 1 2 290.776 0.253 40 0 CCABLO COC(=O)[C@@H]1C[N@H+](CCO)CCN1C(=O)OC(C)(C)C ZINC000079419841 388997100 /nfs/dbraw/zinc/99/71/00/388997100.db2.gz GNMNJWHYZOMVRS-JTQLQIEISA-N 1 2 288.344 0.073 40 0 CCABLO COC(=O)[C@@H]1C[N@@H+](CCO)CCN1C(=O)OC(C)(C)C ZINC000079419841 388997104 /nfs/dbraw/zinc/99/71/04/388997104.db2.gz GNMNJWHYZOMVRS-JTQLQIEISA-N 1 2 288.344 0.073 40 0 CCABLO C[NH+](C)Cc1nnn2c1CN(C(=O)[C@H]1CCCO1)CCC2 ZINC000096259480 389057689 /nfs/dbraw/zinc/05/76/89/389057689.db2.gz JGMCIUBGVLJOCD-CYBMUJFWSA-N 1 2 293.371 0.251 40 0 CCABLO CC(=O)N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC000096144965 389045925 /nfs/dbraw/zinc/04/59/25/389045925.db2.gz TWPYCBFABDIMST-UHFFFAOYSA-N 1 2 262.357 0.975 40 0 CCABLO CC(C)Nc1cc(-c2ccncc2)[nH+]c(NCCO)n1 ZINC000329060332 389149937 /nfs/dbraw/zinc/14/99/37/389149937.db2.gz WMAOHHYSFWXIGJ-UHFFFAOYSA-N 1 2 273.340 0.607 40 0 CCABLO NC(=O)CSC1=[NH+][C@H]2C=Cc3nsnc3[C@@H]2N1 ZINC000006613367 170218712 /nfs/dbraw/zinc/21/87/12/170218712.db2.gz VUWFSIGZWLMWLZ-MHTLYPKNSA-N 1 2 267.339 0.152 40 0 CCABLO [NH3+][C@@H](c1nnc(Cn2cncn2)[nH]1)c1ccc(F)cc1 ZINC000095533281 185006662 /nfs/dbraw/zinc/00/66/62/185006662.db2.gz ATLDVXUOTDLEEG-LLVKDONJSA-N 1 2 273.275 0.632 40 0 CCABLO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1cnn(C)c1 ZINC000096057757 185077578 /nfs/dbraw/zinc/07/75/78/185077578.db2.gz OCUAZOGBTHWKIW-YNEHKIRRSA-N 1 2 251.330 0.798 40 0 CCABLO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1cnn(C)c1 ZINC000096057757 185077579 /nfs/dbraw/zinc/07/75/79/185077579.db2.gz OCUAZOGBTHWKIW-YNEHKIRRSA-N 1 2 251.330 0.798 40 0 CCABLO COCC(=O)N1CCn2c(Cn3cncn3)c[nH+]c2[C@@H]1C ZINC000096062119 185083076 /nfs/dbraw/zinc/08/30/76/185083076.db2.gz RFOQPLBEGSLISW-JTQLQIEISA-N 1 2 290.327 0.073 40 0 CCABLO C[NH+](C)Cc1nnc2n1CCCN(C(=O)c1c[nH]cn1)C2 ZINC000096084749 282150740 /nfs/dbraw/zinc/15/07/40/282150740.db2.gz KRKFRHWXNFHZQW-UHFFFAOYSA-N 1 2 289.343 0.109 40 0 CCABLO COC(=O)[C@@H](O)[C@@H]1c2ccccc2[N+](=O)C1C(=O)OC ZINC000001590402 347957744 /nfs/dbraw/zinc/95/77/44/347957744.db2.gz CAIXDWSEGYEVLC-KOLCDFICSA-N 1 2 279.248 0.074 40 0 CCABLO COc1cc(C(=S)N2CC[NH+](CCO)CC2)ccc1O ZINC000013547459 348027693 /nfs/dbraw/zinc/02/76/93/348027693.db2.gz UDSQVGABLBBJCP-UHFFFAOYSA-N 1 2 296.392 0.686 40 0 CCABLO C/C=C\C(=O)NCC[NH+]1CCN(C(=O)/C=C\C)CC1 ZINC000017300805 348053669 /nfs/dbraw/zinc/05/36/69/348053669.db2.gz UEPDQEHSYFDDDK-GLIMQPGKSA-N 1 2 265.357 0.399 40 0 CCABLO Cc1cc(CN2Cc3c[nH+]cn3[C@H](C(=O)N(C)C)C2)no1 ZINC000248007696 352429211 /nfs/dbraw/zinc/42/92/11/352429211.db2.gz OWKVMJSRWVMQBV-ZDUSSCGKSA-N 1 2 289.339 0.825 40 0 CCABLO COCC(=O)NC[C@H]1C[N@@H+](C(C)C)Cc2cncn21 ZINC000248025993 352430137 /nfs/dbraw/zinc/43/01/37/352430137.db2.gz WGQGHZDZMBNLBY-LBPRGKRZSA-N 1 2 266.345 0.411 40 0 CCABLO COCC(=O)NC[C@H]1C[N@H+](C(C)C)Cc2cncn21 ZINC000248025993 352430139 /nfs/dbraw/zinc/43/01/39/352430139.db2.gz WGQGHZDZMBNLBY-LBPRGKRZSA-N 1 2 266.345 0.411 40 0 CCABLO COCC(=O)NC[C@H]1CN(C(C)C)Cc2c[nH+]cn21 ZINC000248025993 352430143 /nfs/dbraw/zinc/43/01/43/352430143.db2.gz WGQGHZDZMBNLBY-LBPRGKRZSA-N 1 2 266.345 0.411 40 0 CCABLO Cc1c(CN2Cc3[nH+]cn(C)c3C[C@@H]2CO)cnn1C ZINC000585094607 359246380 /nfs/dbraw/zinc/24/63/80/359246380.db2.gz FKISYTIXFRAWFI-GFCCVEGCSA-N 1 2 275.356 0.381 40 0 CCABLO CO[C@@H]1CC[C@@H](N(C)C(=O)C=Cc2c[nH]c[nH+]2)[C@H]1O ZINC000585290947 359262171 /nfs/dbraw/zinc/26/21/71/359262171.db2.gz JFJZQRFLMGVXNI-SZXPGBEWSA-N 1 2 265.313 0.420 40 0 CCABLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](O)[C@@H](NC(=O)C(C)C)CC1 ZINC000257213490 190012763 /nfs/dbraw/zinc/01/27/63/190012763.db2.gz CHUFHRIGDGJPBC-KBPBESRZSA-N 1 2 294.399 0.816 40 0 CCABLO Cc1[nH]ncc1C[N@H+]1CC[C@H](O)[C@@H](NC(=O)C(C)C)CC1 ZINC000257213490 190012764 /nfs/dbraw/zinc/01/27/64/190012764.db2.gz CHUFHRIGDGJPBC-KBPBESRZSA-N 1 2 294.399 0.816 40 0 CCABLO CC(C)S(=O)(=O)N(C)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257235592 190017271 /nfs/dbraw/zinc/01/72/71/190017271.db2.gz GYNCWKQVUYPMNO-IJLUTSLNSA-N 1 2 287.385 0.618 40 0 CCABLO COCC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)cn2)C[C@H]1O ZINC000257254198 190020786 /nfs/dbraw/zinc/02/07/86/190020786.db2.gz KCDNDXGAGIKFPM-VXGBXAGGSA-N 1 2 299.758 0.043 40 0 CCABLO COCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)cn2)C[C@H]1O ZINC000257254198 190020787 /nfs/dbraw/zinc/02/07/87/190020787.db2.gz KCDNDXGAGIKFPM-VXGBXAGGSA-N 1 2 299.758 0.043 40 0 CCABLO O=C(C[N@@H+]1CCC[C@@H](Cc2ccn[nH]2)C1)N1CCOCC1 ZINC000257237598 190017669 /nfs/dbraw/zinc/01/76/69/190017669.db2.gz HHEPOCDNLVIJJL-ZDUSSCGKSA-N 1 2 292.383 0.523 40 0 CCABLO O=C(C[N@H+]1CCC[C@@H](Cc2ccn[nH]2)C1)N1CCOCC1 ZINC000257237598 190017670 /nfs/dbraw/zinc/01/76/70/190017670.db2.gz HHEPOCDNLVIJJL-ZDUSSCGKSA-N 1 2 292.383 0.523 40 0 CCABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)[nH+]1 ZINC000257297504 190028943 /nfs/dbraw/zinc/02/89/43/190028943.db2.gz RHNGWJFGLYOAEU-SECBINFHSA-N 1 2 273.296 0.431 40 0 CCABLO CNC(=O)[C@@H]1CN(C(=O)c2cccnc2)CC[N@@H+]1C(C)C ZINC000257336047 190036704 /nfs/dbraw/zinc/03/67/04/190036704.db2.gz YMXRCTNXJGMIIQ-ZDUSSCGKSA-N 1 2 290.367 0.362 40 0 CCABLO CNC(=O)[C@@H]1CN(C(=O)c2cccnc2)CC[N@H+]1C(C)C ZINC000257336047 190036705 /nfs/dbraw/zinc/03/67/05/190036705.db2.gz YMXRCTNXJGMIIQ-ZDUSSCGKSA-N 1 2 290.367 0.362 40 0 CCABLO COC[C@@H]1Cn2c[nH+]cc2CN(C(=O)c2ncccn2)C1 ZINC000096206636 256823532 /nfs/dbraw/zinc/82/35/32/256823532.db2.gz BFKMWQVMZVHPFP-NSHDSACASA-N 1 2 287.323 0.592 40 0 CCABLO CC(C)(C)OC(=O)N1CC[C@]2(C1)C[NH2+]C1(COC1)CO2 ZINC000306145543 389090176 /nfs/dbraw/zinc/09/01/76/389090176.db2.gz IEGCIFBJESMTDP-CQSZACIVSA-N 1 2 284.356 0.755 40 0 CCABLO Cc1c(O)c(=O)ccn1CC[NH+]1CCN(C)CC1 ZINC000575410778 390838585 /nfs/dbraw/zinc/83/85/85/390838585.db2.gz GYQOQWHUMHQFHP-UHFFFAOYSA-N 1 2 251.330 0.110 40 0 CCABLO COc1ccccc1OC[C@@H]1C[N@H+](CCO)CCO1 ZINC000217490741 397434517 /nfs/dbraw/zinc/43/45/17/397434517.db2.gz NLIHXWWANJWSPT-LBPRGKRZSA-N 1 2 267.325 0.767 40 0 CCABLO COc1ccccc1OC[C@@H]1C[N@@H+](CCO)CCO1 ZINC000217490741 397434525 /nfs/dbraw/zinc/43/45/25/397434525.db2.gz NLIHXWWANJWSPT-LBPRGKRZSA-N 1 2 267.325 0.767 40 0 CCABLO Cc1cc(=O)[nH]c(SCC(=O)N2CC[NH+](C)CC2)n1 ZINC000005277112 170082069 /nfs/dbraw/zinc/08/20/69/170082069.db2.gz ZUHVQDYCIIKMQR-UHFFFAOYSA-N 1 2 282.369 0.357 40 0 CCABLO Nc1cccc(OCC(=O)NCC[NH+]2CCOCC2)c1 ZINC000040294573 174223057 /nfs/dbraw/zinc/22/30/57/174223057.db2.gz PARHABONTLFHPK-UHFFFAOYSA-N 1 2 279.340 0.096 40 0 CCABLO CC(=O)N1CC[N@H+](Cc2ccc(F)cc2)C[C@@H]1C(N)=O ZINC000072350932 176373885 /nfs/dbraw/zinc/37/38/85/176373885.db2.gz WNHBNUNGPISMKO-CYBMUJFWSA-N 1 2 279.315 0.344 40 0 CCABLO CC(=O)N1CC[N@@H+](Cc2ccc(F)cc2)C[C@@H]1C(N)=O ZINC000072350932 176373886 /nfs/dbraw/zinc/37/38/86/176373886.db2.gz WNHBNUNGPISMKO-CYBMUJFWSA-N 1 2 279.315 0.344 40 0 CCABLO CC(=O)N1CCc2[nH+]cn(C)c2[C@H]1C(=O)N1CCCC1 ZINC000096147191 278061083 /nfs/dbraw/zinc/06/10/83/278061083.db2.gz MPIQEBHURUCAAK-ZDUSSCGKSA-N 1 2 276.340 0.488 40 0 CCABLO Cc1cc2[nH+]cn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2cc1C ZINC000004096880 333207422 /nfs/dbraw/zinc/20/74/22/333207422.db2.gz HLRUKOJSWOKCPP-SYQHCUMBSA-N 1 2 278.308 0.265 40 0 endogenous,in-man CCABLO C[C@@H](CNC(=O)C[NH+]1C[C@@H](C)O[C@H](C)C1)n1cncn1 ZINC000253375411 334431300 /nfs/dbraw/zinc/43/13/00/334431300.db2.gz PSDPGBXDKBJBDA-QJPTWQEYSA-N 1 2 281.360 0.065 40 0 CCABLO CCn1nnc2c1[C@H](COC)C[N@H+](Cc1cnn(C)c1)C2 ZINC000096060829 185082281 /nfs/dbraw/zinc/08/22/81/185082281.db2.gz OTHQFMCYQNWCEY-LBPRGKRZSA-N 1 2 290.371 0.777 40 0 CCABLO CCn1nnc2c1[C@H](COC)C[N@@H+](Cc1cnn(C)c1)C2 ZINC000096060829 185082283 /nfs/dbraw/zinc/08/22/83/185082283.db2.gz OTHQFMCYQNWCEY-LBPRGKRZSA-N 1 2 290.371 0.777 40 0 CCABLO O=c1ccc(=O)n(CC[C@H]2Nc3ccccc3C[NH2+]2)[nH]1 ZINC000006610030 348005324 /nfs/dbraw/zinc/00/53/24/348005324.db2.gz NDOKCPVWKZZTQQ-GFCCVEGCSA-N 1 2 272.308 0.468 40 0 CCABLO C[N@H+]1Cc2ccnn2[C@@H](CC(=O)N2CCCCO2)C1 ZINC000248090009 352431533 /nfs/dbraw/zinc/43/15/33/352431533.db2.gz UZHDURKOZFKOPC-LBPRGKRZSA-N 1 2 264.329 0.814 40 0 CCABLO C[N@@H+]1Cc2ccnn2[C@@H](CC(=O)N2CCCCO2)C1 ZINC000248090009 352431536 /nfs/dbraw/zinc/43/15/36/352431536.db2.gz UZHDURKOZFKOPC-LBPRGKRZSA-N 1 2 264.329 0.814 40 0 CCABLO CNC(=O)[C@@H]1CN(C(=O)C(C)C)CC[N@@H+]1C(C)C ZINC000257312622 352553114 /nfs/dbraw/zinc/55/31/14/352553114.db2.gz UOVDHQDCNKNNDF-NSHDSACASA-N 1 2 255.362 0.310 40 0 CCABLO CNC(=O)[C@@H]1CN(C(=O)C(C)C)CC[N@H+]1C(C)C ZINC000257312622 352553115 /nfs/dbraw/zinc/55/31/15/352553115.db2.gz UOVDHQDCNKNNDF-NSHDSACASA-N 1 2 255.362 0.310 40 0 CCABLO C[C@H](c1ccccn1)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000282104032 353393580 /nfs/dbraw/zinc/39/35/80/353393580.db2.gz PKHXXSVEZWCKGJ-OLZOCXBDSA-N 1 2 292.383 0.261 40 0 CCABLO C[C@H](c1ccccn1)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000282104032 353393584 /nfs/dbraw/zinc/39/35/84/353393584.db2.gz PKHXXSVEZWCKGJ-OLZOCXBDSA-N 1 2 292.383 0.261 40 0 CCABLO C[C@H](c1ccccn1)[N@@H+]1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000282104032 353393586 /nfs/dbraw/zinc/39/35/86/353393586.db2.gz PKHXXSVEZWCKGJ-OLZOCXBDSA-N 1 2 292.383 0.261 40 0 CCABLO C[C@H](c1ccccn1)[N@H+]1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000282104032 353393589 /nfs/dbraw/zinc/39/35/89/353393589.db2.gz PKHXXSVEZWCKGJ-OLZOCXBDSA-N 1 2 292.383 0.261 40 0 CCABLO CNc1cc(-c2cccnc2)[nH+]c(N[C@H](C)CO)n1 ZINC000329020839 202154580 /nfs/dbraw/zinc/15/45/80/202154580.db2.gz ODPHSTKMEBMQKX-SECBINFHSA-N 1 2 259.313 0.217 40 0 CCABLO CNC(=O)CC[C@@]1(O)CCC[N@H+](Cc2nccn2C)C1 ZINC000585277431 359259930 /nfs/dbraw/zinc/25/99/30/359259930.db2.gz WNPPSNICMYEAPT-AWEZNQCLSA-N 1 2 280.372 0.273 40 0 CCABLO CNC(=O)CC[C@@]1(O)CCC[N@@H+](Cc2nccn2C)C1 ZINC000585277431 359259935 /nfs/dbraw/zinc/25/99/35/359259935.db2.gz WNPPSNICMYEAPT-AWEZNQCLSA-N 1 2 280.372 0.273 40 0 CCABLO CC(=O)N[C@H](c1nccs1)C1CC[NH+](CC(N)=O)CC1 ZINC000257204550 190011388 /nfs/dbraw/zinc/01/13/88/190011388.db2.gz AVDDVFGFKRZWQZ-LBPRGKRZSA-N 1 2 296.396 0.518 40 0 CCABLO C[C@]1(O)CC[N@H+](CC(N)=O)C[C@@H]1Oc1ccccc1 ZINC000257288859 190027320 /nfs/dbraw/zinc/02/73/20/190027320.db2.gz PVZTUWDJGNNGCO-JSGCOSHPSA-N 1 2 264.325 0.376 40 0 CCABLO C[C@]1(O)CC[N@@H+](CC(N)=O)C[C@@H]1Oc1ccccc1 ZINC000257288859 190027321 /nfs/dbraw/zinc/02/73/21/190027321.db2.gz PVZTUWDJGNNGCO-JSGCOSHPSA-N 1 2 264.325 0.376 40 0 CCABLO COCC(=O)N(C)C[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257334538 190036224 /nfs/dbraw/zinc/03/62/24/190036224.db2.gz YGJBLOAGPCVGOH-CQSZACIVSA-N 1 2 279.340 0.128 40 0 CCABLO CCOC(=O)[C@]12CCC[C@](C(=O)OCC)(C[N@@H+](C)C1)C2=O ZINC000017300670 388790481 /nfs/dbraw/zinc/79/04/81/388790481.db2.gz BGNIDLVJKNWEAV-GASCZTMLSA-N 1 2 297.351 0.784 40 0 CCABLO CCOC(=O)[C@]12CCC[C@](C(=O)OCC)(C[N@H+](C)C1)C2=O ZINC000017300670 388790487 /nfs/dbraw/zinc/79/04/87/388790487.db2.gz BGNIDLVJKNWEAV-GASCZTMLSA-N 1 2 297.351 0.784 40 0 CCABLO CC[NH+]1CCN(S(=O)(=O)c2c[nH]ccc2=S)CC1 ZINC000072210669 388960928 /nfs/dbraw/zinc/96/09/28/388960928.db2.gz ZXAXNAHWFUVLKZ-UHFFFAOYSA-N 1 2 287.410 0.697 40 0 CCABLO CCCS(=O)(=O)N1Cc2c[nH+]cn2C[C@@H](COC)C1 ZINC000096207453 389052582 /nfs/dbraw/zinc/05/25/82/389052582.db2.gz DJDCKKYLEASHCG-LLVKDONJSA-N 1 2 287.385 0.701 40 0 CCABLO CC[N@@H+]1CCNC(=O)C12CCN(Cc1ccncc1)CC2 ZINC000096230150 389055216 /nfs/dbraw/zinc/05/52/16/389055216.db2.gz FRLSIEUWEVFLTE-UHFFFAOYSA-N 1 2 288.395 0.868 40 0 CCABLO CC[N@H+]1CCNC(=O)C12CCN(Cc1ccncc1)CC2 ZINC000096230150 389055221 /nfs/dbraw/zinc/05/52/21/389055221.db2.gz FRLSIEUWEVFLTE-UHFFFAOYSA-N 1 2 288.395 0.868 40 0 CCABLO CNC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3ccc(C)o3)C[C@H]1O2 ZINC000096252736 389057362 /nfs/dbraw/zinc/05/73/62/389057362.db2.gz BGEGJRGVHNUWEA-FRRDWIJNSA-N 1 2 264.325 0.923 40 0 CCABLO CNC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(C)o3)C[C@H]1O2 ZINC000096252736 389057367 /nfs/dbraw/zinc/05/73/67/389057367.db2.gz BGEGJRGVHNUWEA-FRRDWIJNSA-N 1 2 264.325 0.923 40 0 CCABLO CCOc1ccc([C@@H]([NH3+])c2nc(CO)n[nH]2)cc1OC ZINC000095534341 389042676 /nfs/dbraw/zinc/04/26/76/389042676.db2.gz GANHGZVCSIJOAY-GFCCVEGCSA-N 1 2 278.312 0.752 40 0 CCABLO COC[C@H]1Cn2cc[nH+]c2CN(C(=O)c2cnccn2)C1 ZINC000096059094 389045398 /nfs/dbraw/zinc/04/53/98/389045398.db2.gz BECNCWUMRVMHSY-NSHDSACASA-N 1 2 287.323 0.592 40 0 CCABLO CC[N@H+](Cc1cccc(F)c1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000575421494 390839321 /nfs/dbraw/zinc/83/93/21/390839321.db2.gz QTUWFFYXNMDKJI-OLZOCXBDSA-N 1 2 287.356 0.806 40 0 CCABLO CC[N@@H+](Cc1cccc(F)c1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000575421494 390839322 /nfs/dbraw/zinc/83/93/22/390839322.db2.gz QTUWFFYXNMDKJI-OLZOCXBDSA-N 1 2 287.356 0.806 40 0 CCABLO NC(=O)C(=S)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020522559 171235733 /nfs/dbraw/zinc/23/57/33/171235733.db2.gz CNOMXVMBZQBSEV-UHFFFAOYSA-N 1 2 263.366 0.617 40 0 CCABLO CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCN1C(=O)c1cncs1 ZINC000072368435 176383289 /nfs/dbraw/zinc/38/32/89/176383289.db2.gz JUNQGTPAYZTXFT-JTQLQIEISA-N 1 2 296.396 0.424 40 0 CCABLO CNC(=O)[C@@H]1C[N@H+](C(C)C)CCN1C(=O)c1cncs1 ZINC000072368435 176383290 /nfs/dbraw/zinc/38/32/90/176383290.db2.gz JUNQGTPAYZTXFT-JTQLQIEISA-N 1 2 296.396 0.424 40 0 CCABLO OC1CC[NH+](Cc2nnnn2Cc2ccccc2)CC1 ZINC000004230530 347991335 /nfs/dbraw/zinc/99/13/35/347991335.db2.gz OVRGYNYUGNYKFV-UHFFFAOYSA-N 1 2 273.340 0.678 40 0 CCABLO C/C=C/C(=O)N1CC[NH+](CCOC(=O)/C=C\C)CC1 ZINC000017300815 348053918 /nfs/dbraw/zinc/05/39/18/348053918.db2.gz IQWHNNBAGUABQB-UZNMPDEFSA-N 1 2 266.341 0.826 40 0 CCABLO CS(=O)(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000042633708 348287293 /nfs/dbraw/zinc/28/72/93/348287293.db2.gz OKAGJZXXCADUOC-UHFFFAOYSA-N 1 2 255.343 0.553 40 0 CCABLO Cc1cncc(CN2Cc3[nH+]cn(C)c3C[C@H]2CO)n1 ZINC000585094872 359246329 /nfs/dbraw/zinc/24/63/29/359246329.db2.gz RFYNTJBBDJOERD-LBPRGKRZSA-N 1 2 273.340 0.438 40 0 CCABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@H]2CO)n(C)n1 ZINC000585094914 359246488 /nfs/dbraw/zinc/24/64/88/359246488.db2.gz UCSHLMUBZVLZQT-LBPRGKRZSA-N 1 2 275.356 0.381 40 0 CCABLO CS(=O)(=O)NC[C@H]1C[N@H+](CC2CCC2)Cc2ccnn21 ZINC000585112719 359250388 /nfs/dbraw/zinc/25/03/88/359250388.db2.gz UJMMGJRHCVGWQP-ZDUSSCGKSA-N 1 2 298.412 0.589 40 0 CCABLO CS(=O)(=O)NC[C@H]1C[N@@H+](CC2CCC2)Cc2ccnn21 ZINC000585112719 359250392 /nfs/dbraw/zinc/25/03/92/359250392.db2.gz UJMMGJRHCVGWQP-ZDUSSCGKSA-N 1 2 298.412 0.589 40 0 CCABLO CNC(=O)[C@@H]1CN(C(=O)c2ccccn2)CC[N@@H+]1C(C)C ZINC000257220427 190014595 /nfs/dbraw/zinc/01/45/95/190014595.db2.gz DKUXVCCBDCSDTR-ZDUSSCGKSA-N 1 2 290.367 0.362 40 0 CCABLO CNC(=O)[C@@H]1CN(C(=O)c2ccccn2)CC[N@H+]1C(C)C ZINC000257220427 190014596 /nfs/dbraw/zinc/01/45/96/190014596.db2.gz DKUXVCCBDCSDTR-ZDUSSCGKSA-N 1 2 290.367 0.362 40 0 CCABLO CC(C)n1nccc1C[N@@H+]1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000257253665 190020899 /nfs/dbraw/zinc/02/08/99/190020899.db2.gz JZUHWDUMBWPLBX-QWHCGFSZSA-N 1 2 278.356 0.553 40 0 CCABLO CC(C)n1nccc1C[N@H+]1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000257253665 190020900 /nfs/dbraw/zinc/02/09/00/190020900.db2.gz JZUHWDUMBWPLBX-QWHCGFSZSA-N 1 2 278.356 0.553 40 0 CCABLO Cc1nccc([C@H]2C[N@H+](CC3(O)CCOCC3)CCO2)n1 ZINC000257238204 190018006 /nfs/dbraw/zinc/01/80/06/190018006.db2.gz HJZCZBGCAJHTQN-CQSZACIVSA-N 1 2 293.367 0.700 40 0 CCABLO Cc1nccc([C@H]2C[N@@H+](CC3(O)CCOCC3)CCO2)n1 ZINC000257238204 190018007 /nfs/dbraw/zinc/01/80/07/190018007.db2.gz HJZCZBGCAJHTQN-CQSZACIVSA-N 1 2 293.367 0.700 40 0 CCABLO O=C(Cn1cc[nH+]c1)N1CCOC[C@H]1c1cc[nH]n1 ZINC000257255993 190021670 /nfs/dbraw/zinc/02/16/70/190021670.db2.gz KJRMMQFENGQUDR-NSHDSACASA-N 1 2 261.285 0.206 40 0 CCABLO Cc1c[nH]c([C@H]2CCCN2S(=O)(=O)c2cn[nH]c2)[nH+]1 ZINC000257259208 190021779 /nfs/dbraw/zinc/02/17/79/190021779.db2.gz KXIJXXFKQMEDQP-SNVBAGLBSA-N 1 2 281.341 0.967 40 0 CCABLO CCn1cc(C(=O)N[C@@H]2CC[C@@H](n3cc[nH+]c3)[C@@H]2O)cn1 ZINC000257320918 190033188 /nfs/dbraw/zinc/03/31/88/190033188.db2.gz VZGOWASLKAPVEW-JHJVBQTASA-N 1 2 289.339 0.594 40 0 CCABLO COC[C@@H]1Cn2ccnc2C[N@H+](Cc2cnn(C)c2)C1 ZINC000096187743 256816914 /nfs/dbraw/zinc/81/69/14/256816914.db2.gz HKGKCMQHQZLSFC-ZDUSSCGKSA-N 1 2 275.356 0.895 40 0 CCABLO COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2cnn(C)c2)C1 ZINC000096187743 256816916 /nfs/dbraw/zinc/81/69/16/256816916.db2.gz HKGKCMQHQZLSFC-ZDUSSCGKSA-N 1 2 275.356 0.895 40 0 CCABLO Cc1cc(N2CCO[C@](C)(C(=O)N(C)C)C2)nc[nH+]1 ZINC000072379628 388961232 /nfs/dbraw/zinc/96/12/32/388961232.db2.gz AZLPTTFXAFQEBV-ZDUSSCGKSA-N 1 2 264.329 0.469 40 0 CCABLO C[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000070270994 388955820 /nfs/dbraw/zinc/95/58/20/388955820.db2.gz DIJFVXTVEQJMDY-UHFFFAOYSA-N 1 2 295.364 0.117 40 0 CCABLO COC[C@H]1Cn2c[nH+]cc2CN(c2cc(OC)ncn2)C1 ZINC000096216749 389052761 /nfs/dbraw/zinc/05/27/61/389052761.db2.gz MARNXJHQOWOJOR-LLVKDONJSA-N 1 2 289.339 0.965 40 0 CCABLO Cn1nc(Cn2cc[nH+]c2)c2c1CN([C@@H]1CCOC1)C2 ZINC000096259111 389057849 /nfs/dbraw/zinc/05/78/49/389057849.db2.gz JAKXIVVQPXCLIF-LLVKDONJSA-N 1 2 273.340 0.769 40 0 CCABLO COc1ccc(NC(=O)C[C@@H]2[NH2+]CCNC2=O)cc1Cl ZINC000008209213 170324768 /nfs/dbraw/zinc/32/47/68/170324768.db2.gz ZMQHZFDFXMSGRE-JTQLQIEISA-N 1 2 297.742 0.765 40 0 CCABLO O=C(NCC[NH+]1CCOCC1)c1cc(Cl)ccn1 ZINC000037301982 173107533 /nfs/dbraw/zinc/10/75/33/173107533.db2.gz SUDRCFXNZASXTF-UHFFFAOYSA-N 1 2 269.732 0.797 40 0 CCABLO COC(=O)c1cccc([C@H]2CN(C(C)=O)CC[NH2+]2)c1 ZINC000072366057 176380943 /nfs/dbraw/zinc/38/09/43/176380943.db2.gz UFFSFKCRXYFDMO-CYBMUJFWSA-N 1 2 262.309 0.966 40 0 CCABLO CNC(=O)[C@]1(C)C[N@H+](Cc2ccnn2C(C)C)CCO1 ZINC000072379934 176387143 /nfs/dbraw/zinc/38/71/43/176387143.db2.gz MWCLSPPTYUOXGK-AWEZNQCLSA-N 1 2 280.372 0.801 40 0 CCABLO CNC(=O)[C@]1(C)C[N@@H+](Cc2ccnn2C(C)C)CCO1 ZINC000072379934 176387144 /nfs/dbraw/zinc/38/71/44/176387144.db2.gz MWCLSPPTYUOXGK-AWEZNQCLSA-N 1 2 280.372 0.801 40 0 CCABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)[nH+]1 ZINC000257280600 279000247 /nfs/dbraw/zinc/00/02/47/279000247.db2.gz OLNOIGHRQOQXCI-SNVBAGLBSA-N 1 2 287.323 0.442 40 0 CCABLO C[N@@H+]1CCNC(=O)C12CCN(C(=O)OC(C)(C)C)CC2 ZINC000091303403 290060651 /nfs/dbraw/zinc/06/06/51/290060651.db2.gz HMWQYKNVHLSCQK-UHFFFAOYSA-N 1 2 283.372 0.818 40 0 CCABLO C[N@H+]1CCNC(=O)C12CCN(C(=O)OC(C)(C)C)CC2 ZINC000091303403 290060656 /nfs/dbraw/zinc/06/06/56/290060656.db2.gz HMWQYKNVHLSCQK-UHFFFAOYSA-N 1 2 283.372 0.818 40 0 CCABLO O=C1CO[C@@H]2C[N@H+](Cc3ccncc3)C[C@H]2N1CC1CC1 ZINC000096054261 185075583 /nfs/dbraw/zinc/07/55/83/185075583.db2.gz STIMJTKHVDMKNV-HUUCEWRRSA-N 1 2 287.363 0.903 40 0 CCABLO O=C1CO[C@@H]2C[N@@H+](Cc3ccncc3)C[C@H]2N1CC1CC1 ZINC000096054261 185075585 /nfs/dbraw/zinc/07/55/85/185075585.db2.gz STIMJTKHVDMKNV-HUUCEWRRSA-N 1 2 287.363 0.903 40 0 CCABLO COCCN1CCN(S(C)(=O)=O)Cc2ccc[nH+]c21 ZINC000096060941 349616850 /nfs/dbraw/zinc/61/68/50/349616850.db2.gz JQFVFTGYXLMZAV-UHFFFAOYSA-N 1 2 285.369 0.310 40 0 CCABLO CO[C@@H](C)[C@@](O)(C(=O)OC1=CC[N@@H+]2CC[C@H](O)[C@@H]12)C(C)C ZINC000020470446 348077772 /nfs/dbraw/zinc/07/77/72/348077772.db2.gz SYBDAXBOJJGQCQ-TZQJONAQSA-N 1 2 299.367 0.284 40 0 CCABLO CO[C@@H](C)[C@@](O)(C(=O)OC1=CC[N@H+]2CC[C@H](O)[C@@H]12)C(C)C ZINC000020470446 348077774 /nfs/dbraw/zinc/07/77/74/348077774.db2.gz SYBDAXBOJJGQCQ-TZQJONAQSA-N 1 2 299.367 0.284 40 0 CCABLO Cc1ccn(C[C@@H](C)C(=O)NCc2[nH+]ccn2C)n1 ZINC000019238020 348058862 /nfs/dbraw/zinc/05/88/62/348058862.db2.gz CXVFOQYPIARIBF-SNVBAGLBSA-N 1 2 261.329 0.878 40 0 CCABLO CNC(=O)[C@H]1C[N@@H+](C(C)C)CCN1C(=O)c1cncs1 ZINC000072368436 348922588 /nfs/dbraw/zinc/92/25/88/348922588.db2.gz JUNQGTPAYZTXFT-SNVBAGLBSA-N 1 2 296.396 0.424 40 0 CCABLO CNC(=O)[C@H]1C[N@H+](C(C)C)CCN1C(=O)c1cncs1 ZINC000072368436 348922590 /nfs/dbraw/zinc/92/25/90/348922590.db2.gz JUNQGTPAYZTXFT-SNVBAGLBSA-N 1 2 296.396 0.424 40 0 CCABLO Cn1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)n1 ZINC000270787515 352985585 /nfs/dbraw/zinc/98/55/85/352985585.db2.gz LFWVXMHSJXQAJF-CQSZACIVSA-N 1 2 292.383 0.633 40 0 CCABLO Cn1ccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)n1 ZINC000270787515 352985587 /nfs/dbraw/zinc/98/55/87/352985587.db2.gz LFWVXMHSJXQAJF-CQSZACIVSA-N 1 2 292.383 0.633 40 0 CCABLO CC(C)Nc1cc(-c2cccnc2)[nH+]c(NCCO)n1 ZINC000329066619 354252230 /nfs/dbraw/zinc/25/22/30/354252230.db2.gz YCIYGPGEGVPQCW-UHFFFAOYSA-N 1 2 273.340 0.607 40 0 CCABLO Cc1ccc(C(=O)N2Cc3[nH+]cn(C)c3C[C@H]2CO)nc1 ZINC000585094766 359246431 /nfs/dbraw/zinc/24/64/31/359246431.db2.gz LRGHMUHZCIPKQV-NSHDSACASA-N 1 2 286.335 0.683 40 0 CCABLO COCCC(=O)N1Cc2[nH+]cn(C)c2C[C@@H]1COC ZINC000585094888 359246729 /nfs/dbraw/zinc/24/67/29/359246729.db2.gz SDUQJSKASWTIBR-SNVBAGLBSA-N 1 2 267.329 0.356 40 0 CCABLO Cc1cc(=O)[nH]c([C@H]2CN(Cc3[nH+]ccn3C)CCO2)n1 ZINC000257251558 190019797 /nfs/dbraw/zinc/01/97/97/190019797.db2.gz JRGAXZKXVWQORN-LLVKDONJSA-N 1 2 289.339 0.798 40 0 CCABLO CC(=O)N1CC[NH2+][C@H](C(=O)Nc2ccc(F)cc2)C1 ZINC000257279105 190025299 /nfs/dbraw/zinc/02/52/99/190025299.db2.gz OFAMDHMMAWILSP-LBPRGKRZSA-N 1 2 265.288 0.585 40 0 CCABLO CS(=O)(=O)N1C[C@@H]2COC[C@]2(CNc2cccc[nH+]2)C1 ZINC000096218965 389054314 /nfs/dbraw/zinc/05/43/14/389054314.db2.gz IQRRPWHHBGUXGB-YPMHNXCESA-N 1 2 297.380 0.402 40 0 CCABLO CCC[N@@H+]1C[C@H]2NS(=O)(=O)c3cccnc3O[C@H]2C1 ZINC000514290173 390466369 /nfs/dbraw/zinc/46/63/69/390466369.db2.gz UAKKBZOHFIMDDR-ZJUUUORDSA-N 1 2 283.353 0.215 40 0 biogenic,in-vitro CCABLO CCC[N@H+]1C[C@H]2NS(=O)(=O)c3cccnc3O[C@H]2C1 ZINC000514290173 390466374 /nfs/dbraw/zinc/46/63/74/390466374.db2.gz UAKKBZOHFIMDDR-ZJUUUORDSA-N 1 2 283.353 0.215 40 0 biogenic,in-vitro CCABLO CS(=O)(=O)N1Cc2[nH+]ccn2C[C@@H](Cn2cccn2)C1 ZINC000096067075 286613120 /nfs/dbraw/zinc/61/31/20/286613120.db2.gz OOGFIQBVMRHPCK-NSHDSACASA-N 1 2 295.368 0.171 40 0 CCABLO O=C(C[C@@H]1[NH2+]CCNC1=O)Nc1ccc(F)c(F)c1 ZINC000020634700 171268346 /nfs/dbraw/zinc/26/83/46/171268346.db2.gz AAWFIMCBNBVHPW-JTQLQIEISA-N 1 2 269.251 0.381 40 0 CCABLO Nc1c(Cl)ncnc1NCC[NH+]1CCOCC1 ZINC000031772479 171646370 /nfs/dbraw/zinc/64/63/70/171646370.db2.gz HTJDEIKFTPABJB-UHFFFAOYSA-N 1 2 257.725 0.456 40 0 CCABLO CNC(=O)[C@H]1CN(Cc2ccncc2)CC[N@@H+]1C(C)C ZINC000072367942 176382762 /nfs/dbraw/zinc/38/27/62/176382762.db2.gz SAFFMICMSMZWLR-CQSZACIVSA-N 1 2 276.384 0.722 40 0 CCABLO CNC(=O)[C@H]1CN(Cc2ccncc2)CC[N@H+]1C(C)C ZINC000072367942 176382764 /nfs/dbraw/zinc/38/27/64/176382764.db2.gz SAFFMICMSMZWLR-CQSZACIVSA-N 1 2 276.384 0.722 40 0 CCABLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)NC2)NCc1ccco1 ZINC000072373430 176384616 /nfs/dbraw/zinc/38/46/16/176384616.db2.gz OBMBTZUUBWAZEK-WDEREUQCSA-N 1 2 277.324 0.249 40 0 CCABLO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(=O)NC2)NCc1ccco1 ZINC000072373430 176384617 /nfs/dbraw/zinc/38/46/17/176384617.db2.gz OBMBTZUUBWAZEK-WDEREUQCSA-N 1 2 277.324 0.249 40 0 CCABLO