smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC000005448564 342764256 /nfs/dbraw/zinc/76/42/56/342764256.db2.gz BOCXJGQDJLZNQU-UHFFFAOYSA-N 1 2 230.315 2.131 40 0 BEABLO CCN(CC)c1[nH+]cc([C@H](C)O)cc1C ZINC000072222223 259320298 /nfs/dbraw/zinc/32/02/98/259320298.db2.gz SLMSKIHORMRXHM-JTQLQIEISA-N 1 2 208.305 2.290 40 0 BEABLO Cc1ccc(NC=Cc2cc[n+]([O-])cc2)[nH+]c1 ZINC000017429479 342924857 /nfs/dbraw/zinc/92/48/57/342924857.db2.gz PUOHODOHCWFMNW-QPJJXVBHSA-N 1 2 227.267 2.106 40 0 BEABLO CCSCN1CC[N@H+](CSCC)C[C@H]1C ZINC000022586903 343051677 /nfs/dbraw/zinc/05/16/77/343051677.db2.gz LQOFYFNFLYNRLK-LLVKDONJSA-N 1 2 248.461 2.414 40 0 BEABLO CCSCN1CC[N@@H+](CSCC)C[C@H]1C ZINC000022586903 343051679 /nfs/dbraw/zinc/05/16/79/343051679.db2.gz LQOFYFNFLYNRLK-LLVKDONJSA-N 1 2 248.461 2.414 40 0 BEABLO CCSCN1CC[N@H+](CSCC)[C@H](C)C1 ZINC000022586903 343051680 /nfs/dbraw/zinc/05/16/80/343051680.db2.gz LQOFYFNFLYNRLK-LLVKDONJSA-N 1 2 248.461 2.414 40 0 BEABLO CCSCN1CC[N@@H+](CSCC)[C@H](C)C1 ZINC000022586903 343051682 /nfs/dbraw/zinc/05/16/82/343051682.db2.gz LQOFYFNFLYNRLK-LLVKDONJSA-N 1 2 248.461 2.414 40 0 BEABLO CCCc1[nH+]c(C)cn1-c1nc(OC)ccc1N ZINC000034456345 343271564 /nfs/dbraw/zinc/27/15/64/343271564.db2.gz WOHSRDRUVGEMTI-UHFFFAOYSA-N 1 2 246.314 2.119 40 0 BEABLO CCCNC(=O)C[NH+]1Cc2cc(C)c(C)cc2C1 ZINC000006879696 344869444 /nfs/dbraw/zinc/86/94/44/344869444.db2.gz JYTFSEIUUXMROJ-UHFFFAOYSA-N 1 2 246.354 2.145 40 0 BEABLO Cc1cccc2cc3c(nc12)OCC[N@@H+](C)C3 ZINC000072392256 179228675 /nfs/dbraw/zinc/22/86/75/179228675.db2.gz XELGSLLEHACMIM-UHFFFAOYSA-N 1 2 228.295 2.367 40 0 BEABLO Cc1cccc2cc3c(nc12)OCC[N@H+](C)C3 ZINC000072392256 179228676 /nfs/dbraw/zinc/22/86/76/179228676.db2.gz XELGSLLEHACMIM-UHFFFAOYSA-N 1 2 228.295 2.367 40 0 BEABLO COc1cc(C2=[NH+]CCC2)cc(OC)c1OC ZINC000022115615 347600670 /nfs/dbraw/zinc/60/06/70/347600670.db2.gz VQDXQEIAFVSUHV-UHFFFAOYSA-N 1 2 235.283 2.295 40 0 BEABLO S=CC1=C2NCCC[N@@H+]2[C@H]2CCCC[C@H]12 ZINC000005290185 348724388 /nfs/dbraw/zinc/72/43/88/348724388.db2.gz PKKFXCVBJFFZJO-KOLCDFICSA-N 1 2 222.357 2.065 40 0 BEABLO S=CC1=C2NCCC[N@H+]2[C@H]2CCCC[C@H]12 ZINC000005290185 348724390 /nfs/dbraw/zinc/72/43/90/348724390.db2.gz PKKFXCVBJFFZJO-KOLCDFICSA-N 1 2 222.357 2.065 40 0 BEABLO Cc1c(CO)cccc1[C@@H](C)c1c[nH]c[nH+]1 ZINC000034412134 350468292 /nfs/dbraw/zinc/46/82/92/350468292.db2.gz HTQCEFAVROSRIW-SNVBAGLBSA-N 1 2 216.284 2.362 40 0 in-vitro BEABLO C[N@@H+](c1ccc(N)cc1C(N)=O)C1CCCCC1 ZINC000041081266 352601494 /nfs/dbraw/zinc/60/14/94/352601494.db2.gz YGGTUJAOTYCCOM-UHFFFAOYSA-N 1 2 247.342 2.137 40 0 BEABLO C[N@H+](c1ccc(N)cc1C(N)=O)C1CCCCC1 ZINC000041081266 352601496 /nfs/dbraw/zinc/60/14/96/352601496.db2.gz YGGTUJAOTYCCOM-UHFFFAOYSA-N 1 2 247.342 2.137 40 0 BEABLO CC(C)Cc1nc([C@@H]2CCCC[NH2+]2)no1 ZINC000040443495 188304671 /nfs/dbraw/zinc/30/46/71/188304671.db2.gz BXKODDVEAPYOOT-VIFPVBQESA-N 1 2 209.293 2.083 40 0 BEABLO Cc1[nH+]cc(Br)c(N)c1Cl ZINC000095949852 188321714 /nfs/dbraw/zinc/32/17/14/188321714.db2.gz ZEXBDOFCHQZRHZ-UHFFFAOYSA-N 1 2 221.485 2.388 40 0 BEABLO NSCc1cc2ccccc2oc1=[NH2+] ZINC000003850659 181212280 /nfs/dbraw/zinc/21/22/80/181212280.db2.gz HXUSBYHCSYTKGG-UHFFFAOYSA-N 1 2 206.270 2.019 40 0 BEABLO COC(=O)c1cccc(Cc2c[nH]c[nH+]2)c1C ZINC000169458057 360546106 /nfs/dbraw/zinc/54/61/06/360546106.db2.gz GKPBGZDPDWMPEP-UHFFFAOYSA-N 1 2 230.267 2.096 40 0 BEABLO CC(=O)N1CCC[C@H]1c1ccc(NC2CC2)[nH+]c1 ZINC000072213772 259527330 /nfs/dbraw/zinc/52/73/30/259527330.db2.gz GWMXLURQXMPFOB-ZDUSSCGKSA-N 1 2 245.326 2.339 40 0 BEABLO COc1cc(C)c(C2=[NH+]CCCC2)cn1 ZINC000072218027 259529015 /nfs/dbraw/zinc/52/90/15/259529015.db2.gz XHJAGAUSXYFBBO-UHFFFAOYSA-N 1 2 204.273 2.372 40 0 BEABLO c1cc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)[nH]n1 ZINC000072187763 183342078 /nfs/dbraw/zinc/34/20/78/183342078.db2.gz KGQVCDKEBFLIOC-ZDUSSCGKSA-N 1 2 242.326 2.184 40 0 BEABLO c1cc([C@H]2CCC[N@H+](Cc3ccncc3)C2)[nH]n1 ZINC000072187763 183342079 /nfs/dbraw/zinc/34/20/79/183342079.db2.gz KGQVCDKEBFLIOC-ZDUSSCGKSA-N 1 2 242.326 2.184 40 0 BEABLO c1sc(-c2ccccc2)nc1[C@H]1COCC[NH2+]1 ZINC000096218005 183383267 /nfs/dbraw/zinc/38/32/67/183383267.db2.gz POWSRGMOUDDVFR-LLVKDONJSA-N 1 2 246.335 2.471 40 0 BEABLO c1cc([C@H]2CCC[N@@H+](Cc3cncs3)C2)[nH]n1 ZINC000121187296 183361856 /nfs/dbraw/zinc/36/18/56/183361856.db2.gz NDGZPNSUNNAHRK-JTQLQIEISA-N 1 2 248.355 2.246 40 0 BEABLO c1cc([C@H]2CCC[N@H+](Cc3cncs3)C2)[nH]n1 ZINC000121187296 183361861 /nfs/dbraw/zinc/36/18/61/183361861.db2.gz NDGZPNSUNNAHRK-JTQLQIEISA-N 1 2 248.355 2.246 40 0 BEABLO Cc1ccc(C)c([C@@H](C)NC2=[NH+]CCO2)c1 ZINC000001614969 383912170 /nfs/dbraw/zinc/91/21/70/383912170.db2.gz BQZYSCMFDMDYNC-LLVKDONJSA-N 1 2 218.300 2.340 40 0 BEABLO Cn1c2ccccc2[nH+]c1CCCCCO ZINC000095532030 384380369 /nfs/dbraw/zinc/38/03/69/384380369.db2.gz SPALTDMZXSXNFQ-UHFFFAOYSA-N 1 2 218.300 2.278 40 0 BEABLO Nc1[nH+]cccc1C(F)(F)C(F)(F)F ZINC000144833898 384763650 /nfs/dbraw/zinc/76/36/50/384763650.db2.gz JFWGQQYGHPAZBA-UHFFFAOYSA-N 1 2 212.121 2.318 40 0 BEABLO O=CN1CCCC[C@H]1c1ccc[nH+]c1NC1CC1 ZINC000072213750 385084325 /nfs/dbraw/zinc/08/43/25/385084325.db2.gz GNQIKGCWHRMVSD-ZDUSSCGKSA-N 1 2 245.326 2.339 40 0 BEABLO CCCNc1ccc([C@H]2CCCN2C=O)c[nH+]1 ZINC000072213182 385080004 /nfs/dbraw/zinc/08/00/04/385080004.db2.gz BJEKKUYAKZFTMV-GFCCVEGCSA-N 1 2 233.315 2.197 40 0 BEABLO CCCNc1[nH+]cccc1[C@@H]1CCCN1C=O ZINC000072213121 385080189 /nfs/dbraw/zinc/08/01/89/385080189.db2.gz IANANTPORNXCDB-LBPRGKRZSA-N 1 2 233.315 2.197 40 0 BEABLO CC(=O)N1CCCC[C@H]1c1ccc[nH+]c1N(C)C ZINC000072212691 385080400 /nfs/dbraw/zinc/08/04/00/385080400.db2.gz JEVROWSWKKOMCI-ZDUSSCGKSA-N 1 2 247.342 2.221 40 0 BEABLO CCCn1cc(CNc2cccc[nH+]2)cn1 ZINC000072226474 385126459 /nfs/dbraw/zinc/12/64/59/385126459.db2.gz XDGOHXIAWDCBTJ-UHFFFAOYSA-N 1 2 216.288 2.300 40 0 BEABLO CNc1[nH+]cc([C@H]2CCCN2C(C)=O)cc1C ZINC000072218974 385104436 /nfs/dbraw/zinc/10/44/36/385104436.db2.gz QYVRMQZAEPTZSN-GFCCVEGCSA-N 1 2 233.315 2.115 40 0 BEABLO Sc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000095739419 388785734 /nfs/dbraw/zinc/78/57/34/388785734.db2.gz DLEXKOGHDCBLGM-UHFFFAOYSA-N 1 2 223.341 2.450 40 0 BEABLO CC[C@@H]1CSC2=[NH+][C@@H](c3ccccn3)CN21 ZINC000222639240 171114014 /nfs/dbraw/zinc/11/40/14/171114014.db2.gz UYNCEWGAJVXHGO-MWLCHTKSSA-N 1 2 233.340 2.320 40 0 BEABLO COc1ccc2c(c1)C(=O)[C@H](n1cc[nH+]c1)CC2 ZINC000005400594 175206751 /nfs/dbraw/zinc/20/67/51/175206751.db2.gz YJKMDICXRKMSFW-CYBMUJFWSA-N 1 2 242.278 2.262 40 0 BEABLO C[C@H]1CCC(=O)C[N@@H+]1Cc1ccccc1 ZINC000005496395 177068981 /nfs/dbraw/zinc/06/89/81/177068981.db2.gz KZOQTVBEJPFESD-NSHDSACASA-N 1 2 203.285 2.240 40 0 BEABLO C[C@H]1CCC(=O)C[N@H+]1Cc1ccccc1 ZINC000005496395 177068983 /nfs/dbraw/zinc/06/89/83/177068983.db2.gz KZOQTVBEJPFESD-NSHDSACASA-N 1 2 203.285 2.240 40 0 BEABLO Cc1ccc(Nc2cc(N)[nH+]c(N)n2)cc1Cl ZINC000001681551 342708782 /nfs/dbraw/zinc/70/87/82/342708782.db2.gz RUXYUHJTUKIYJQ-UHFFFAOYSA-N 1 2 249.705 2.346 40 0 BEABLO Cc1ccc(Nc2cc(N)nc(N)[nH+]2)cc1Cl ZINC000001681551 342708783 /nfs/dbraw/zinc/70/87/83/342708783.db2.gz RUXYUHJTUKIYJQ-UHFFFAOYSA-N 1 2 249.705 2.346 40 0 BEABLO CC[C@H](O)CCc1[nH]c2ccccc2[nH+]1 ZINC000062702318 398302245 /nfs/dbraw/zinc/30/22/45/398302245.db2.gz CIEVPQWGLBBGNI-VIFPVBQESA-N 1 2 204.273 2.266 40 0 BEABLO CC[C@@H](O)CCc1[nH]c2ccccc2[nH+]1 ZINC000062702319 398302258 /nfs/dbraw/zinc/30/22/58/398302258.db2.gz CIEVPQWGLBBGNI-SECBINFHSA-N 1 2 204.273 2.266 40 0 BEABLO Nc1cc(Br)c2ccc[nH+]c2c1O ZINC000013207771 342864797 /nfs/dbraw/zinc/86/47/97/342864797.db2.gz JWDPKUHZINCEAQ-UHFFFAOYSA-N 1 2 239.072 2.285 40 0 BEABLO CCOC(=O)/C=C\c1ccc(N2CCCC2)[nH+]c1 ZINC000029786670 343146539 /nfs/dbraw/zinc/14/65/39/343146539.db2.gz SHNSYRIPSIMQJU-VURMDHGXSA-N 1 2 246.310 2.258 40 0 BEABLO CCCCCO/C=C/C[NH+]1CCOCC1 ZINC000031335077 343217305 /nfs/dbraw/zinc/21/73/05/343217305.db2.gz DLGWOOVMZICLKI-BJMVGYQFSA-N 1 2 213.321 2.039 40 0 BEABLO O=C([O-])c1c[nH+]c2ccccc2c1-n1cc[nH+]c1 ZINC000041718608 351595660 /nfs/dbraw/zinc/59/56/60/351595660.db2.gz VNDKBZDLKSQPAR-UHFFFAOYSA-N 1 2 239.234 2.119 40 0 BEABLO Cc1ccc(C(=O)c2ccccc2)c(N)[nH+]1 ZINC000075621520 188307487 /nfs/dbraw/zinc/30/74/87/188307487.db2.gz NZOFCGUHWGHCGM-UHFFFAOYSA-N 1 2 212.252 2.203 40 0 BEABLO CC(=O)N1CCCC[C@@H]1c1ccc[nH+]c1N(C)C ZINC000072212690 259526039 /nfs/dbraw/zinc/52/60/39/259526039.db2.gz JEVROWSWKKOMCI-CYBMUJFWSA-N 1 2 247.342 2.221 40 0 BEABLO Cc1cc(N(C)C)[nH+]c2c(N)cccc12 ZINC000257827317 541485477 /nfs/dbraw/zinc/48/54/77/541485477.db2.gz GBDULTULYKHENB-UHFFFAOYSA-N 1 2 201.273 2.191 40 0 BEABLO OC[C@@H]1CCCC[N@@H+]1Cc1cnc(Cl)s1 ZINC000072203702 183116017 /nfs/dbraw/zinc/11/60/17/183116017.db2.gz ZSWXNYVFPJGVFV-QMMMGPOBSA-N 1 2 246.763 2.143 40 0 BEABLO OC[C@@H]1CCCC[N@H+]1Cc1cnc(Cl)s1 ZINC000072203702 183116021 /nfs/dbraw/zinc/11/60/21/183116021.db2.gz ZSWXNYVFPJGVFV-QMMMGPOBSA-N 1 2 246.763 2.143 40 0 BEABLO c1cc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)[nH]n1 ZINC000072187692 183398521 /nfs/dbraw/zinc/39/85/21/183398521.db2.gz OKLKRMMFDLHIAK-GFCCVEGCSA-N 1 2 242.326 2.184 40 0 BEABLO c1cc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)[nH]n1 ZINC000072187692 183398523 /nfs/dbraw/zinc/39/85/23/183398523.db2.gz OKLKRMMFDLHIAK-GFCCVEGCSA-N 1 2 242.326 2.184 40 0 BEABLO c1ccc2c(c1)SCC[C@@H]2NC1=[NH+]CCO1 ZINC000001639302 383916390 /nfs/dbraw/zinc/91/63/90/383916390.db2.gz YEGCWAQTPNEBHN-JTQLQIEISA-N 1 2 234.324 2.199 40 0 BEABLO Cc1noc([C@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072357082 384210316 /nfs/dbraw/zinc/21/03/16/384210316.db2.gz NAXWJMOYFRMAEZ-GFCCVEGCSA-N 1 2 244.298 2.110 40 0 BEABLO Cc1noc([C@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000072357082 384210319 /nfs/dbraw/zinc/21/03/19/384210319.db2.gz NAXWJMOYFRMAEZ-GFCCVEGCSA-N 1 2 244.298 2.110 40 0 BEABLO c1cc([C@@H]2CCC[N@H+]2Cc2cccnc2)n[nH]1 ZINC000072381589 384218135 /nfs/dbraw/zinc/21/81/35/384218135.db2.gz DUENQEHXHAPZAA-ZDUSSCGKSA-N 1 2 228.299 2.142 40 0 BEABLO c1cc([C@@H]2CCC[N@@H+]2Cc2cccnc2)n[nH]1 ZINC000072381589 384218139 /nfs/dbraw/zinc/21/81/39/384218139.db2.gz DUENQEHXHAPZAA-ZDUSSCGKSA-N 1 2 228.299 2.142 40 0 BEABLO Cn1c(CCCO)[nH+]c2cccc(Cl)c21 ZINC000095095680 384365745 /nfs/dbraw/zinc/36/57/45/384365745.db2.gz LQDGSOYQARDSRK-UHFFFAOYSA-N 1 2 224.691 2.152 40 0 BEABLO CC(=O)c1cccc(Nc2cc(N)nc(C)[nH+]2)c1 ZINC000049467322 384536183 /nfs/dbraw/zinc/53/61/83/384536183.db2.gz SZPVBYAYCIREFI-UHFFFAOYSA-N 1 2 242.282 2.313 40 0 BEABLO COc1cc(F)ccc1-c1cc[nH+]c(N)c1 ZINC000098175307 384597533 /nfs/dbraw/zinc/59/75/33/384597533.db2.gz STHOIJJMTQMOLD-UHFFFAOYSA-N 1 2 218.231 2.479 40 0 BEABLO Nc1ccc(C(F)(F)C(F)(F)F)c[nH+]1 ZINC000144834283 384764459 /nfs/dbraw/zinc/76/44/59/384764459.db2.gz ZNOFUOBXHSKUEE-UHFFFAOYSA-N 1 2 212.121 2.318 40 0 BEABLO Cc1cc[nH+]c(NC=Cc2cccc[n+]2[O-])c1 ZINC000104094469 384800810 /nfs/dbraw/zinc/80/08/10/384800810.db2.gz VYAAPVXSCNPLCW-VURMDHGXSA-N 1 2 227.267 2.106 40 0 BEABLO CC(C)CNc1[nH+]cccc1[C@@H]1CCCN1C=O ZINC000072213241 385078499 /nfs/dbraw/zinc/07/84/99/385078499.db2.gz STTVTRMBOVPTGR-ZDUSSCGKSA-N 1 2 247.342 2.443 40 0 BEABLO CCN(CC)c1[nH+]cccc1[C@@H]1CCCN1C=O ZINC000072212883 385080134 /nfs/dbraw/zinc/08/01/34/385080134.db2.gz DXXJNYCQDOVBPI-ZDUSSCGKSA-N 1 2 247.342 2.221 40 0 BEABLO CC(C)[C@H]([NH3+])c1nnc(COc2ccccc2)[nH]1 ZINC000095534698 385046819 /nfs/dbraw/zinc/04/68/19/385046819.db2.gz FXSPSYILNYACKF-LBPRGKRZSA-N 1 2 246.314 2.040 40 0 BEABLO CC(C)n1cc(CNc2cccc[nH+]2)cn1 ZINC000072226473 385125860 /nfs/dbraw/zinc/12/58/60/385125860.db2.gz YGBJVERAIPYBJR-UHFFFAOYSA-N 1 2 216.288 2.471 40 0 BEABLO CCCn1ccc(C[NH2+]Cc2ccco2)n1 ZINC000256053657 387861925 /nfs/dbraw/zinc/86/19/25/387861925.db2.gz SHNGQSIBLQJGMW-UHFFFAOYSA-N 1 2 219.288 2.176 40 0 BEABLO CCOC(=O)C(F)(F)[C@H]([NH3+])c1cccc(F)c1 ZINC000199566655 170187871 /nfs/dbraw/zinc/18/78/71/170187871.db2.gz QWAKYJACYYXICM-SECBINFHSA-N 1 2 247.216 2.024 40 0 BEABLO CCOC(=O)c1c[nH+]c2cc(F)ccc2c1N ZINC000047913013 170302642 /nfs/dbraw/zinc/30/26/42/170302642.db2.gz ZFIAMTDTFJERBJ-UHFFFAOYSA-N 1 2 234.230 2.133 40 0 BEABLO C[C@@H]1CN2C(=[NH+][C@@H](c3ccccn3)[C@H]2C)S1 ZINC000260774956 323127614 /nfs/dbraw/zinc/12/76/14/323127614.db2.gz OJCJSJJNJMHORN-FXPVBKGRSA-N 1 2 233.340 2.318 40 0 BEABLO CCOC(=[NH2+])c1ccc(N)c(Br)c1 ZINC000228917705 520392628 /nfs/dbraw/zinc/39/26/28/520392628.db2.gz BVJZMZNAEAYJAW-UHFFFAOYSA-N 1 2 243.104 2.393 40 0 BEABLO Fc1cc(F)c(F)c(-n2cc[nH+]c2)c1F ZINC000000056836 342671831 /nfs/dbraw/zinc/67/18/31/342671831.db2.gz LMGDDTFQPQTOIU-UHFFFAOYSA-N 1 2 216.137 2.429 40 0 BEABLO Cc1ccc(Nc2cc(N)nc(N)[nH+]2)cc1C ZINC000001681553 342708691 /nfs/dbraw/zinc/70/86/91/342708691.db2.gz WACUVLDFPVBPAT-UHFFFAOYSA-N 1 2 229.287 2.001 40 0 BEABLO Nc1cccc(CC(=O)c2ccccc2)[nH+]1 ZINC000031670162 343222702 /nfs/dbraw/zinc/22/27/02/343222702.db2.gz ITSXNXLMFLZYKB-UHFFFAOYSA-N 1 2 212.252 2.089 40 0 BEABLO CC(C)(C)c1n[nH]c([C@H]([NH3+])c2ccccc2)n1 ZINC000095533458 187288038 /nfs/dbraw/zinc/28/80/38/187288038.db2.gz GKJPWHHNBMDOLA-SNVBAGLBSA-N 1 2 230.315 2.150 40 0 BEABLO CC(C)(C)c1nnc([C@H]([NH3+])c2ccccc2)[nH]1 ZINC000095533458 187288040 /nfs/dbraw/zinc/28/80/40/187288040.db2.gz GKJPWHHNBMDOLA-SNVBAGLBSA-N 1 2 230.315 2.150 40 0 BEABLO CCc1cn(-c2ccc(C(=O)OC)cc2)c[nH+]1 ZINC000199822471 344130229 /nfs/dbraw/zinc/13/02/29/344130229.db2.gz ZPVHDSFXEGTKCH-UHFFFAOYSA-N 1 2 230.267 2.221 40 0 BEABLO Cc1[nH+]ccn1C(F)(F)Br ZINC000057354533 259374318 /nfs/dbraw/zinc/37/43/18/259374318.db2.gz YKLAHVYCXBUPSZ-UHFFFAOYSA-N 1 2 211.009 2.093 40 0 BEABLO Cc1nc2[nH]ccc2c(N[C@H]2CCSC2)[nH+]1 ZINC000328613685 180025748 /nfs/dbraw/zinc/02/57/48/180025748.db2.gz QNWXKCXQANBXIY-QMMMGPOBSA-N 1 2 234.328 2.184 40 0 BEABLO CC(C)Cc1nc([C@H]2CCCC[NH2+]2)no1 ZINC000040443496 188305246 /nfs/dbraw/zinc/30/52/46/188305246.db2.gz BXKODDVEAPYOOT-SECBINFHSA-N 1 2 209.293 2.083 40 0 BEABLO Cc1cn(-c2ccc(Cl)cc2N)c[nH+]1 ZINC000685936529 538756129 /nfs/dbraw/zinc/75/61/29/538756129.db2.gz DDNFNCXDWNJWJR-UHFFFAOYSA-N 1 2 207.664 2.416 40 0 BEABLO C[C@@H](O)c1ccc(N2CCCCC2)[nH+]c1 ZINC000072225448 259532988 /nfs/dbraw/zinc/53/29/88/259532988.db2.gz BLEGDRHGAITHNZ-SNVBAGLBSA-N 1 2 206.289 2.125 40 0 BEABLO [NH3+]CC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000037712267 181397982 /nfs/dbraw/zinc/39/79/82/181397982.db2.gz CWRHTFCUOFCTBJ-UHFFFAOYSA-N 1 2 219.115 2.042 40 0 BEABLO Cc1[nH+]c2c(N)cc(C(=O)OC(C)C)cn2c1C ZINC000138504141 368347160 /nfs/dbraw/zinc/34/71/60/368347160.db2.gz RJUBUKNWPYQPPJ-UHFFFAOYSA-N 1 2 247.298 2.099 40 0 BEABLO C[C@H](C(=O)c1cccc(F)c1)[NH+]1CCCC1 ZINC000095726667 371337694 /nfs/dbraw/zinc/33/76/94/371337694.db2.gz ULCYWOZDRYWKHX-SNVBAGLBSA-N 1 2 221.275 2.493 40 0 in-vitro BEABLO S=C(NCc1ccco1)Nc1cc[nH+]cc1 ZINC000013837266 183311750 /nfs/dbraw/zinc/31/17/50/183311750.db2.gz YEKQTAPOOKLFGD-UHFFFAOYSA-N 1 2 233.296 2.161 40 0 BEABLO C[C@@H](NC1=[NH+]CCO1)c1ccccc1Cl ZINC000006443413 384152463 /nfs/dbraw/zinc/15/24/63/384152463.db2.gz HGHUIMUBLYEQDT-MRVPVSSYSA-N 1 2 224.691 2.377 40 0 BEABLO C[NH+](C)CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000000519780 384326450 /nfs/dbraw/zinc/32/64/50/384326450.db2.gz WHXFRZFXDOAEFB-MISXGVKJSA-N 1 2 239.359 2.306 40 0 BEABLO CC(C)n1c(C=O)ccc1Cn1cc[nH+]c1 ZINC000078404634 384442922 /nfs/dbraw/zinc/44/29/22/384442922.db2.gz GKKSKUDHGJCWLI-UHFFFAOYSA-N 1 2 217.272 2.126 40 0 BEABLO C[C@@H](O)CCCc1[nH]c2ccccc2[nH+]1 ZINC000082086992 384644301 /nfs/dbraw/zinc/64/43/01/384644301.db2.gz YPXVMRKDBDPJTN-SECBINFHSA-N 1 2 204.273 2.266 40 0 BEABLO CCc1cc([NH3+])ccc1N1C[C@@H](C)O[C@H](C)C1 ZINC000226315824 384973272 /nfs/dbraw/zinc/97/32/72/384973272.db2.gz RYQXNSFJTNQCGL-GHMZBOCLSA-N 1 2 234.343 2.445 40 0 BEABLO CC(C)Oc1ccc(C2=[NH+]CCC2)cn1 ZINC000072211880 385074981 /nfs/dbraw/zinc/07/49/81/385074981.db2.gz IHAPHAUGMHUTLT-UHFFFAOYSA-N 1 2 204.273 2.452 40 0 BEABLO CC(C)CNc1[nH+]cccc1[C@H]1CCCN1C=O ZINC000072213242 385080067 /nfs/dbraw/zinc/08/00/67/385080067.db2.gz STTVTRMBOVPTGR-CYBMUJFWSA-N 1 2 247.342 2.443 40 0 BEABLO CC(=O)N1CCCC[C@H]1c1ccc(N(C)C)[nH+]c1 ZINC000072212631 385080537 /nfs/dbraw/zinc/08/05/37/385080537.db2.gz SCQLRCKTBMZFBX-ZDUSSCGKSA-N 1 2 247.342 2.221 40 0 BEABLO CC(=O)N1CCC[C@H]1c1ccc[nH+]c1NC1CC1 ZINC000072213712 385083576 /nfs/dbraw/zinc/08/35/76/385083576.db2.gz VYCBIVMAJBTTCR-ZDUSSCGKSA-N 1 2 245.326 2.339 40 0 BEABLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2cnccn2)no1 ZINC000257259861 385758941 /nfs/dbraw/zinc/75/89/41/385758941.db2.gz LAIOJWFUCLFFRX-CYBMUJFWSA-N 1 2 244.298 2.110 40 0 BEABLO Cc1cc(C[N@H+]2CCC[C@@H]2c2cnccn2)no1 ZINC000257259861 385758946 /nfs/dbraw/zinc/75/89/46/385758946.db2.gz LAIOJWFUCLFFRX-CYBMUJFWSA-N 1 2 244.298 2.110 40 0 BEABLO CC[NH2+]c1cc2c3c(c1)CCCN3CC2 ZINC000005501942 170172649 /nfs/dbraw/zinc/17/26/49/170172649.db2.gz ZDNPTUQWPMWJGE-UHFFFAOYSA-N 1 2 202.301 2.427 40 0 BEABLO CCc1[nH]c2cc(CCC(=O)OC)ccc2[nH+]1 ZINC000217767641 172011155 /nfs/dbraw/zinc/01/11/55/172011155.db2.gz UMIHYDHGVVHOOP-UHFFFAOYSA-N 1 2 232.283 2.231 40 0 BEABLO CCc1[nH]c2ccc(CCC(=O)OC)cc2[nH+]1 ZINC000217767641 172011157 /nfs/dbraw/zinc/01/11/57/172011157.db2.gz UMIHYDHGVVHOOP-UHFFFAOYSA-N 1 2 232.283 2.231 40 0 BEABLO COc1ccc(-c2[nH]cc[nH+]2)cc1OC ZINC000037974137 175040828 /nfs/dbraw/zinc/04/08/28/175040828.db2.gz KCDNZLQKAOCNDY-UHFFFAOYSA-N 1 2 204.229 2.094 40 0 BEABLO C[C@H]1C[C@@H](c2ccccc2)C(=O)C[N@@H+]1C ZINC000004692453 177337944 /nfs/dbraw/zinc/33/79/44/177337944.db2.gz YFDVANILCDHZCK-JQWIXIFHSA-N 1 2 203.285 2.063 40 0 BEABLO C[C@H]1C[C@@H](c2ccccc2)C(=O)C[N@H+]1C ZINC000004692453 177337946 /nfs/dbraw/zinc/33/79/46/177337946.db2.gz YFDVANILCDHZCK-JQWIXIFHSA-N 1 2 203.285 2.063 40 0 BEABLO Cc1cc(OCCN2CC2)c2ccccc2[nH+]1 ZINC000013152236 178210854 /nfs/dbraw/zinc/21/08/54/178210854.db2.gz GNLWTNBEUJSHOY-UHFFFAOYSA-N 1 2 228.295 2.238 40 0 BEABLO Cc1ccc(-c2nc(NCCO)cc(C)[nH+]2)cc1 ZINC000073311671 178332609 /nfs/dbraw/zinc/33/26/09/178332609.db2.gz LLHCCKONFPXZJR-UHFFFAOYSA-N 1 2 243.310 2.165 40 0 BEABLO Nc1cc(Nc2cccc(Cl)c2)nc(N)[nH+]1 ZINC000001675007 342708218 /nfs/dbraw/zinc/70/82/18/342708218.db2.gz UBLVYMZBOMHJKQ-UHFFFAOYSA-N 1 2 235.678 2.038 40 0 BEABLO Nc1cc(Nc2cccc(Cl)c2)[nH+]c(N)n1 ZINC000001675007 342708220 /nfs/dbraw/zinc/70/82/20/342708220.db2.gz UBLVYMZBOMHJKQ-UHFFFAOYSA-N 1 2 235.678 2.038 40 0 BEABLO CCn1nc(C)c(Br)c1C[NH+](C)C ZINC000072220840 259319353 /nfs/dbraw/zinc/31/93/53/259319353.db2.gz DNHBFAQNULILJI-UHFFFAOYSA-N 1 2 246.152 2.036 40 0 BEABLO Nc1cccc(-c2c[nH+]c3n2CCCC3)c1 ZINC000072220361 259319384 /nfs/dbraw/zinc/31/93/84/259319384.db2.gz RWLMTZVZIRJIJQ-UHFFFAOYSA-N 1 2 213.284 2.469 40 0 BEABLO [NH3+][C@@H]1Nc2ccc(Br)cc2S1 ZINC000005571841 342766421 /nfs/dbraw/zinc/76/64/21/342766421.db2.gz VSXKTDHBBAKHAR-SSDOTTSWSA-N 1 2 231.118 2.209 40 0 BEABLO Fc1ccc([C@@]23CCCN2CCC[NH2+]3)cc1 ZINC000019329206 342945984 /nfs/dbraw/zinc/94/59/84/342945984.db2.gz IBGMNLQEZMKMKB-CYBMUJFWSA-N 1 2 220.291 2.068 40 0 BEABLO CNc1[nH+]cnc2c1cnn2-c1ccc(C)cc1 ZINC000017052436 363007068 /nfs/dbraw/zinc/00/70/68/363007068.db2.gz WRRHQOXDCKADBJ-UHFFFAOYSA-N 1 2 239.282 2.166 40 0 BEABLO CC(C)(C)c1nc([C@H]2CCCC[NH2+]2)no1 ZINC000040443331 363145515 /nfs/dbraw/zinc/14/55/15/363145515.db2.gz PFQFVDKAGUJFEJ-MRVPVSSYSA-N 1 2 209.293 2.182 40 0 BEABLO CCc1cn(-c2ccc(N)cc2OC)c[nH+]1 ZINC000199779946 363186575 /nfs/dbraw/zinc/18/65/75/363186575.db2.gz ZITRIIGVJJHSFS-UHFFFAOYSA-N 1 2 217.272 2.026 40 0 BEABLO C[C@@H](C(=O)c1cccc(F)c1)[NH+]1CCCC1 ZINC000095726663 371337476 /nfs/dbraw/zinc/33/74/76/371337476.db2.gz ULCYWOZDRYWKHX-JTQLQIEISA-N 1 2 221.275 2.493 40 0 in-vitro BEABLO Nc1ccc(-c2ccc3c(c2)OCCO3)c[nH+]1 ZINC000041249687 181693525 /nfs/dbraw/zinc/69/35/25/181693525.db2.gz LLVKFHHKYFSZAL-UHFFFAOYSA-N 1 2 228.251 2.102 40 0 BEABLO CC[NH+](CC)c1ccc(C[C@@H](C)O)cc1 ZINC000058002174 383842818 /nfs/dbraw/zinc/84/28/18/383842818.db2.gz FEAUNXMGZIZPMT-LLVKDONJSA-N 1 2 207.317 2.456 40 0 BEABLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072357081 384210805 /nfs/dbraw/zinc/21/08/05/384210805.db2.gz NAXWJMOYFRMAEZ-LBPRGKRZSA-N 1 2 244.298 2.110 40 0 BEABLO Cc1noc([C@@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000072357081 384210808 /nfs/dbraw/zinc/21/08/08/384210808.db2.gz NAXWJMOYFRMAEZ-LBPRGKRZSA-N 1 2 244.298 2.110 40 0 BEABLO Cc1cn[nH]c1[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000072357080 384210831 /nfs/dbraw/zinc/21/08/31/384210831.db2.gz HLXNNVLALVNKFG-CYBMUJFWSA-N 1 2 242.326 2.450 40 0 BEABLO Cc1cn[nH]c1[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000072357079 384211231 /nfs/dbraw/zinc/21/12/31/384211231.db2.gz HLXNNVLALVNKFG-ZDUSSCGKSA-N 1 2 242.326 2.450 40 0 BEABLO COc1c(Br)c[nH+]c(C)c1C ZINC000095775670 384395816 /nfs/dbraw/zinc/39/58/16/384395816.db2.gz TVYHGHLQEGTCMC-UHFFFAOYSA-N 1 2 216.078 2.470 40 0 BEABLO CC(=O)N1CCC[C@@H]1c1ccc(NC2CC2)[nH+]c1 ZINC000072213771 385083699 /nfs/dbraw/zinc/08/36/99/385083699.db2.gz GWMXLURQXMPFOB-CYBMUJFWSA-N 1 2 245.326 2.339 40 0 BEABLO CNc1[nH+]cc([C@@H]2CCCCN2C=O)cc1C ZINC000072219012 385105503 /nfs/dbraw/zinc/10/55/03/385105503.db2.gz LAARERSOFVETOS-LBPRGKRZSA-N 1 2 233.315 2.115 40 0 BEABLO O=c1cc(Cn2cc[nH+]c2)c2cc(F)ccc2o1 ZINC000085399431 385168245 /nfs/dbraw/zinc/16/82/45/385168245.db2.gz SDULOSWPXNYMHQ-UHFFFAOYSA-N 1 2 244.225 2.177 40 0 BEABLO CC(C)(C)CNC(=S)Nc1cc[nH+]cc1 ZINC000196648904 385511366 /nfs/dbraw/zinc/51/13/66/385511366.db2.gz GPPJMEYFKVYHIY-UHFFFAOYSA-N 1 2 223.345 2.414 40 0 BEABLO Cc1c[nH]c([C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000257287748 385761847 /nfs/dbraw/zinc/76/18/47/385761847.db2.gz PRJAOAVIIUGSJH-CYBMUJFWSA-N 1 2 242.326 2.450 40 0 BEABLO Cc1c[nH]c([C@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000257287748 385761850 /nfs/dbraw/zinc/76/18/50/385761850.db2.gz PRJAOAVIIUGSJH-CYBMUJFWSA-N 1 2 242.326 2.450 40 0 BEABLO CC(C)n1ccc(C[NH2+]Cc2ccco2)n1 ZINC000082784182 387855389 /nfs/dbraw/zinc/85/53/89/387855389.db2.gz MJBXKZKTAOWUKU-UHFFFAOYSA-N 1 2 219.288 2.347 40 0 BEABLO CC(C)n1ccc(C[NH2+]Cc2cccc(O)c2)n1 ZINC000256053254 387860621 /nfs/dbraw/zinc/86/06/21/387860621.db2.gz QSEUKEVTBJPSOQ-UHFFFAOYSA-N 1 2 245.326 2.459 40 0 BEABLO C[NH2+]c1ccc(N2CCOCC2)c(Cl)c1 ZINC000226275424 132291628 /nfs/dbraw/zinc/29/16/28/132291628.db2.gz WEIPIJMACLJAHR-UHFFFAOYSA-N 1 2 226.707 2.218 40 0 BEABLO CNc1ccc([NH+]2CCC(C)CC2)c(C(N)=O)c1 ZINC000226279586 132291637 /nfs/dbraw/zinc/29/16/37/132291637.db2.gz QZVGJCJALAIXNA-UHFFFAOYSA-N 1 2 247.342 2.064 40 0 BEABLO CCOC(=[NH2+])CC(=O)N[C@H](C)c1ccccc1 ZINC000102946668 170180171 /nfs/dbraw/zinc/18/01/71/170180171.db2.gz HDCMRRCBSJEOHU-SNVBAGLBSA-N 1 2 234.299 2.268 40 0 BEABLO CCOC(=[NH2+])c1ccc(OC)c(OC)c1 ZINC000037928032 170180510 /nfs/dbraw/zinc/18/05/10/170180510.db2.gz QZXLXXHGCGBMFL-UHFFFAOYSA-N 1 2 209.245 2.066 40 0 BEABLO CCn1nc(C)c(C[NH2+]Cc2ccco2)c1F ZINC000256053611 172247519 /nfs/dbraw/zinc/24/75/19/172247519.db2.gz SCGNRIVAFMUBAA-UHFFFAOYSA-N 1 2 237.278 2.233 40 0 BEABLO COc1cccc(-c2n[nH]c([C@@H]([NH3+])C(C)C)n2)c1 ZINC000095534714 175236255 /nfs/dbraw/zinc/23/62/55/175236255.db2.gz OLNUFAYRHMGQEW-NSHDSACASA-N 1 2 246.314 2.136 40 0 BEABLO CCOC(=[NH2+])c1ccc(C(=O)OCC)cc1 ZINC000150054560 520392563 /nfs/dbraw/zinc/39/25/63/520392563.db2.gz BTYXGCARTYNWDV-UHFFFAOYSA-N 1 2 221.256 2.225 40 0 BEABLO CN(N)c1cc(Cl)c2ccccc2[nH+]1 ZINC000199545046 523620239 /nfs/dbraw/zinc/62/02/39/523620239.db2.gz PKKOFALLQQIUGL-UHFFFAOYSA-N 1 2 207.664 2.198 40 0 BEABLO Cc1cc(NC(N)=S)c2ccccc2[nH+]1 ZINC000228977941 525264698 /nfs/dbraw/zinc/26/46/98/525264698.db2.gz ICWKIFDJMKLKAG-UHFFFAOYSA-N 1 2 217.297 2.199 40 0 BEABLO Nc1ccc(Cc2[nH]c3ccccc3[nH+]2)c(N)c1 ZINC000005635522 342767550 /nfs/dbraw/zinc/76/75/50/342767550.db2.gz QCQPPMHFGHSWQC-UHFFFAOYSA-N 1 2 238.294 2.318 40 0 BEABLO CC[C@H](O)c1c[nH+]c(NC2CC2)c(C)c1 ZINC000072222768 259320876 /nfs/dbraw/zinc/32/08/76/259320876.db2.gz KKPFBEUGHAEZEJ-NSHDSACASA-N 1 2 206.289 2.408 40 0 BEABLO Cc1cc(N)[nH+]cc1C(=O)c1ccccc1 ZINC000072223078 259320869 /nfs/dbraw/zinc/32/08/69/259320869.db2.gz LDYSSFBDUPWWKK-UHFFFAOYSA-N 1 2 212.252 2.203 40 0 BEABLO CN(c1ccccc1)c1ccc(CCO)c[nH+]1 ZINC000072225336 259322423 /nfs/dbraw/zinc/32/24/23/259322423.db2.gz JNYLYQJBQBKYNI-UHFFFAOYSA-N 1 2 228.295 2.384 40 0 BEABLO CC=CCc1[nH][nH+]c(C)c2c(C)nnc1-2 ZINC000017109710 342920796 /nfs/dbraw/zinc/92/07/96/342920796.db2.gz WIXNVIOBCCNZEV-SNAWJCMRSA-N 1 2 202.261 2.088 40 0 BEABLO Cc1cccc(C[C@H](O)c2ccc(C=O)cc2)[nH+]1 ZINC000013222414 179106349 /nfs/dbraw/zinc/10/63/49/179106349.db2.gz FDRZXZLLXDEEJC-HNNXBMFYSA-N 1 2 241.290 2.479 40 0 BEABLO Cc1nn(C)c(C)c1CNc1cccc[nH+]1 ZINC000072226478 180342286 /nfs/dbraw/zinc/34/22/86/180342286.db2.gz SUFJBMUKLUAKAA-UHFFFAOYSA-N 1 2 216.288 2.044 40 0 BEABLO CC(C)[C@@H]1CO[C@@]2(CC[N@H+](Cc3cnc[nH]3)C2)C1 ZINC000096072033 188321271 /nfs/dbraw/zinc/32/12/71/188321271.db2.gz RVPDKXPIDLLUSJ-JSGCOSHPSA-N 1 2 249.358 2.047 40 0 BEABLO CC(C)[C@@H]1CO[C@@]2(CC[N@@H+](Cc3cnc[nH]3)C2)C1 ZINC000096072033 188321273 /nfs/dbraw/zinc/32/12/73/188321273.db2.gz RVPDKXPIDLLUSJ-JSGCOSHPSA-N 1 2 249.358 2.047 40 0 BEABLO Nc1ccc2[nH+]ccc(OC3CCOCC3)c2c1 ZINC000685937788 538763946 /nfs/dbraw/zinc/76/39/46/538763946.db2.gz RIOGKAAHLPFWJF-UHFFFAOYSA-N 1 2 244.294 2.375 40 0 BEABLO OCC[N@H+](Cc1c(F)cccc1Cl)C1CC1 ZINC000048065325 183067951 /nfs/dbraw/zinc/06/79/51/183067951.db2.gz JCTJDLCJMUMQMZ-UHFFFAOYSA-N 1 2 243.709 2.436 40 0 BEABLO OCC[N@@H+](Cc1c(F)cccc1Cl)C1CC1 ZINC000048065325 183067953 /nfs/dbraw/zinc/06/79/53/183067953.db2.gz JCTJDLCJMUMQMZ-UHFFFAOYSA-N 1 2 243.709 2.436 40 0 BEABLO S=C(Nc1cc[nH+]cc1)NC1CCCC1 ZINC000013837244 183312378 /nfs/dbraw/zinc/31/23/78/183312378.db2.gz WOPGLERDSJKCFK-UHFFFAOYSA-N 1 2 221.329 2.311 40 0 BEABLO Cc1cn[nH]c1[C@@H]1CCC[N@H+]1Cc1ccncc1 ZINC000072357067 384210687 /nfs/dbraw/zinc/21/06/87/384210687.db2.gz SRMWGQMRZATEQL-ZDUSSCGKSA-N 1 2 242.326 2.450 40 0 BEABLO COC(=O)c1ccc(Nc2ccc(C)[nH+]c2)nc1 ZINC000098175395 384596079 /nfs/dbraw/zinc/59/60/79/384596079.db2.gz BTSPAKBRZHDVHU-UHFFFAOYSA-N 1 2 243.266 2.315 40 0 BEABLO C[C@H](O)c1ccc(N2CCCCC2)[nH+]c1 ZINC000072225447 384827201 /nfs/dbraw/zinc/82/72/01/384827201.db2.gz BLEGDRHGAITHNZ-JTQLQIEISA-N 1 2 206.289 2.125 40 0 BEABLO CCN(CC)c1ccc([C@@H]2CCCN2C=O)c[nH+]1 ZINC000072212823 385078898 /nfs/dbraw/zinc/07/88/98/385078898.db2.gz AJVIUQVCTMHTHY-ZDUSSCGKSA-N 1 2 247.342 2.221 40 0 BEABLO CCN(CC)c1ccc([C@H]2CCCN2C=O)c[nH+]1 ZINC000072212824 385080200 /nfs/dbraw/zinc/08/02/00/385080200.db2.gz AJVIUQVCTMHTHY-CYBMUJFWSA-N 1 2 247.342 2.221 40 0 BEABLO O=CN1CCCC[C@@H]1c1ccc[nH+]c1NC1CC1 ZINC000072213751 385082750 /nfs/dbraw/zinc/08/27/50/385082750.db2.gz GNQIKGCWHRMVSD-CYBMUJFWSA-N 1 2 245.326 2.339 40 0 BEABLO O=CN1CCC[C@@H]1c1ccc[nH+]c1NC1CCC1 ZINC000072213886 385083545 /nfs/dbraw/zinc/08/35/45/385083545.db2.gz LRTULODMBKDUSZ-CYBMUJFWSA-N 1 2 245.326 2.339 40 0 BEABLO c1ncc(C[N@@H+]2CCC[C@H]2c2cnccn2)s1 ZINC000257311566 385764481 /nfs/dbraw/zinc/76/44/81/385764481.db2.gz UKBGVGIYIXLNOI-LBPRGKRZSA-N 1 2 246.339 2.270 40 0 BEABLO c1ncc(C[N@H+]2CCC[C@H]2c2cnccn2)s1 ZINC000257311566 385764484 /nfs/dbraw/zinc/76/44/84/385764484.db2.gz UKBGVGIYIXLNOI-LBPRGKRZSA-N 1 2 246.339 2.270 40 0 BEABLO CC[NH+](CC)c1ccc(N)cc1C(=O)NC(C)C ZINC000225483994 386198103 /nfs/dbraw/zinc/19/81/03/386198103.db2.gz KBIQHTSGORQCGP-UHFFFAOYSA-N 1 2 249.358 2.253 40 0 BEABLO Cc1noc(C[N@@H+]2CCC[C@@H]2c2cccnc2)n1 ZINC000328681977 386609101 /nfs/dbraw/zinc/60/91/01/386609101.db2.gz VIZCCXNIUAHHFZ-GFCCVEGCSA-N 1 2 244.298 2.110 40 0 BEABLO Cc1noc(C[N@H+]2CCC[C@@H]2c2cccnc2)n1 ZINC000328681977 386609105 /nfs/dbraw/zinc/60/91/05/386609105.db2.gz VIZCCXNIUAHHFZ-GFCCVEGCSA-N 1 2 244.298 2.110 40 0 BEABLO CN(C)c1[nH+]cccc1NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000246379191 387080676 /nfs/dbraw/zinc/08/06/76/387080676.db2.gz BPWFPVPTFMPUON-IAZYJMLFSA-N 1 2 245.326 2.132 40 0 BEABLO Cc1ccc([C@@H]([NH3+])c2nc(C(C)(C)C)n[nH]2)cc1 ZINC000095534161 388777372 /nfs/dbraw/zinc/77/73/72/388777372.db2.gz NVGQFMUAZVVRDI-LLVKDONJSA-N 1 2 244.342 2.459 40 0 BEABLO Cc1ccc([C@@H]([NH3+])c2nnc(C(C)(C)C)[nH]2)cc1 ZINC000095534161 388777377 /nfs/dbraw/zinc/77/73/77/388777377.db2.gz NVGQFMUAZVVRDI-LLVKDONJSA-N 1 2 244.342 2.459 40 0 BEABLO CCOC(=[NH2+])c1ccccc1C(=O)OCC ZINC000199565375 170179986 /nfs/dbraw/zinc/17/99/86/170179986.db2.gz XHQMRLMDASGVAG-UHFFFAOYSA-N 1 2 221.256 2.225 40 0 BEABLO CC[C@@H]1C[N@@H+]1CCC(=O)Nc1ccccc1 ZINC000004776084 171099296 /nfs/dbraw/zinc/09/92/96/171099296.db2.gz OGENXPMAUQAXEF-KEKZHRQWSA-N 1 2 218.300 2.109 40 0 BEABLO CC[C@@H]1C[N@H+]1CCC(=O)Nc1ccccc1 ZINC000004776084 171099298 /nfs/dbraw/zinc/09/92/98/171099298.db2.gz OGENXPMAUQAXEF-KEKZHRQWSA-N 1 2 218.300 2.109 40 0 BEABLO COc1ccccc1-c1ccc(N)[nH+]c1 ZINC000016948016 175309309 /nfs/dbraw/zinc/30/93/09/175309309.db2.gz PQDCKSAJBIUHSZ-UHFFFAOYSA-N 1 2 200.241 2.339 40 0 BEABLO CCOC(=[NH2+])c1c(C)cc(C)[nH]c1=S ZINC000228966072 520392687 /nfs/dbraw/zinc/39/26/87/520392687.db2.gz DRIKCMOUJDSGEW-UHFFFAOYSA-N 1 2 210.302 2.349 40 0 BEABLO CC(C)(C)c1cnc(Cn2cc[nH+]c2)o1 ZINC000041391525 398197983 /nfs/dbraw/zinc/19/79/83/398197983.db2.gz NCYLKKDFQJFPDS-UHFFFAOYSA-N 1 2 205.261 2.217 40 0 BEABLO CC(C)(C)c1[nH+]c(C=O)c2ccccn21 ZINC000006855540 342784729 /nfs/dbraw/zinc/78/47/29/342784729.db2.gz GSDNVLUZYZUEAD-UHFFFAOYSA-N 1 2 202.257 2.444 40 0 BEABLO Cc1cc(CO)c[nH+]c1N1CCCCCC1 ZINC000072222477 259320009 /nfs/dbraw/zinc/32/00/09/259320009.db2.gz WLBLCNCQHGGBKS-UHFFFAOYSA-N 1 2 220.316 2.263 40 0 BEABLO CC[C@@H](O)c1ccc(N(CC)CC)[nH+]c1 ZINC000072225259 259322437 /nfs/dbraw/zinc/32/24/37/259322437.db2.gz ZBOGBCFHZXQTNY-LLVKDONJSA-N 1 2 208.305 2.371 40 0 BEABLO Ic1cc2c[nH+]ccc2[nH]1 ZINC000088190125 187339633 /nfs/dbraw/zinc/33/96/33/187339633.db2.gz CVHPZAJQSHPDRC-UHFFFAOYSA-N 1 2 244.035 2.168 40 0 BEABLO Cc1[nH+]c2c(cc(Br)cc2N)n1C ZINC000036056287 180066020 /nfs/dbraw/zinc/06/60/20/180066020.db2.gz UUFBXDBGXBKOEJ-UHFFFAOYSA-N 1 2 240.104 2.226 40 0 BEABLO Cc1c(CO)cccc1[C@H](C)c1c[nH]c[nH+]1 ZINC000034412135 188012031 /nfs/dbraw/zinc/01/20/31/188012031.db2.gz HTQCEFAVROSRIW-JTQLQIEISA-N 1 2 216.284 2.362 40 0 in-vitro BEABLO C[NH+](C)c1ccc(-n2cccc2CO)cc1 ZINC000008701681 188337319 /nfs/dbraw/zinc/33/73/19/188337319.db2.gz LRJPHCQLXUQNDD-UHFFFAOYSA-N 1 2 216.284 2.036 40 0 BEABLO C[NH2+][C@H](CC(C)C)C(=O)OCc1ccccc1 ZINC000034187451 368322099 /nfs/dbraw/zinc/32/20/99/368322099.db2.gz CXFYAORPHAAFTE-CYBMUJFWSA-N 1 2 235.327 2.364 40 0 BEABLO c1cc([C@@H]2CC[N@@H+](Cc3ccsc3)C2)[nH]n1 ZINC000205688194 368358549 /nfs/dbraw/zinc/35/85/49/368358549.db2.gz MPLYQCLZURYFKK-LLVKDONJSA-N 1 2 233.340 2.461 40 0 BEABLO c1cc([C@@H]2CC[N@H+](Cc3ccsc3)C2)[nH]n1 ZINC000205688194 368358554 /nfs/dbraw/zinc/35/85/54/368358554.db2.gz MPLYQCLZURYFKK-LLVKDONJSA-N 1 2 233.340 2.461 40 0 BEABLO CC[NH+]1CCN(Cc2ccccc2S)CC1 ZINC000095738737 371338691 /nfs/dbraw/zinc/33/86/91/371338691.db2.gz UGWYSMVXZKSMLD-UHFFFAOYSA-N 1 2 236.384 2.113 40 0 BEABLO OC1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000038539583 183028591 /nfs/dbraw/zinc/02/85/91/183028591.db2.gz YEDUDJDTHKEHJU-UHFFFAOYSA-N 1 2 243.709 2.436 40 0 BEABLO OC[C@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000040434238 183150428 /nfs/dbraw/zinc/15/04/28/183150428.db2.gz HGGAHSWPGYBJKS-QMMMGPOBSA-N 1 2 246.763 2.001 40 0 BEABLO OC[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000040434238 183150430 /nfs/dbraw/zinc/15/04/30/183150430.db2.gz HGGAHSWPGYBJKS-QMMMGPOBSA-N 1 2 246.763 2.001 40 0 BEABLO c1cc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)[nH]n1 ZINC000072187762 183341678 /nfs/dbraw/zinc/34/16/78/183341678.db2.gz KGQVCDKEBFLIOC-CYBMUJFWSA-N 1 2 242.326 2.184 40 0 BEABLO c1cc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)[nH]n1 ZINC000072187762 183341681 /nfs/dbraw/zinc/34/16/81/183341681.db2.gz KGQVCDKEBFLIOC-CYBMUJFWSA-N 1 2 242.326 2.184 40 0 BEABLO CCCNc1[nH+]c(C)nc2[nH]cc(C)c21 ZINC000005785143 169296044 /nfs/dbraw/zinc/29/60/44/169296044.db2.gz NRPIFSCMMWBSIF-UHFFFAOYSA-N 1 2 204.277 2.348 40 0 BEABLO CC[NH+](CC)c1ccc(C[C@H](C)O)cc1 ZINC000058002176 383842670 /nfs/dbraw/zinc/84/26/70/383842670.db2.gz FEAUNXMGZIZPMT-NSHDSACASA-N 1 2 207.317 2.456 40 0 BEABLO c1ccc([C@@H](NC2=[NH+]CCO2)C2CC2)cc1 ZINC000002008734 383943604 /nfs/dbraw/zinc/94/36/04/383943604.db2.gz RSESMLXPRYZMST-GFCCVEGCSA-N 1 2 216.284 2.114 40 0 BEABLO Cc1nnc2c(Cc3ccco3)[nH+][nH]c(C)c1-2 ZINC000005385924 384112861 /nfs/dbraw/zinc/11/28/61/384112861.db2.gz UHLGLGNESAPAMO-UHFFFAOYSA-N 1 2 228.255 2.154 40 0 BEABLO CCOc1ccc(C2=[NH+]CCCC2)cn1 ZINC000072211790 385070532 /nfs/dbraw/zinc/07/05/32/385070532.db2.gz YYEPUEXJFNCPQQ-UHFFFAOYSA-N 1 2 204.273 2.453 40 0 BEABLO CCNc1ccc([C@@H]2CCCCN2C=O)c[nH+]1 ZINC000072213106 385079920 /nfs/dbraw/zinc/07/99/20/385079920.db2.gz LLUKGDBQVAOIPJ-LBPRGKRZSA-N 1 2 233.315 2.197 40 0 BEABLO CCN(C)c1ccc([C@@H]2CCCCN2C=O)c[nH+]1 ZINC000072212748 385080901 /nfs/dbraw/zinc/08/09/01/385080901.db2.gz PXBWQPCBUIVIIH-ZDUSSCGKSA-N 1 2 247.342 2.221 40 0 BEABLO Cc1cc([C@@H]2CCCCN2C=O)c[nH+]c1N(C)C ZINC000072218652 385100739 /nfs/dbraw/zinc/10/07/39/385100739.db2.gz BAZFTLGFIMVDQY-ZDUSSCGKSA-N 1 2 247.342 2.139 40 0 BEABLO c1c2ccccc2oc1C[NH+]1CCOCC1 ZINC000019913026 385153497 /nfs/dbraw/zinc/15/34/97/385153497.db2.gz FTAVYUNYWZEZIV-UHFFFAOYSA-N 1 2 217.268 2.265 40 0 BEABLO CC(C)C(=O)c1cc2c([nH+]c1N)CCCC2 ZINC000095098411 385491977 /nfs/dbraw/zinc/49/19/77/385491977.db2.gz GALRVJAIOXMZLT-UHFFFAOYSA-N 1 2 218.300 2.381 40 0 BEABLO Nc1cc(-n2cnnc2)ccc1[NH2+]C1CCCC1 ZINC000216751687 386800734 /nfs/dbraw/zinc/80/07/34/386800734.db2.gz NGWBNCDCAAVVNN-UHFFFAOYSA-N 1 2 243.314 2.204 40 0 BEABLO CNc1ccc([N@@H+]2CCCC[C@H]2C)c(C(N)=O)c1 ZINC000226279576 132291249 /nfs/dbraw/zinc/29/12/49/132291249.db2.gz YXRJRRPSHKBKCX-SNVBAGLBSA-N 1 2 247.342 2.206 40 0 BEABLO CNc1ccc([N@H+]2CCCC[C@H]2C)c(C(N)=O)c1 ZINC000226279576 132291252 /nfs/dbraw/zinc/29/12/52/132291252.db2.gz YXRJRRPSHKBKCX-SNVBAGLBSA-N 1 2 247.342 2.206 40 0 BEABLO CCOC(=[NH2+])Cc1ccc(OC)c(OC)c1 ZINC000037928036 170180458 /nfs/dbraw/zinc/18/04/58/170180458.db2.gz WABGXUUHWJFCBW-UHFFFAOYSA-N 1 2 223.272 2.260 40 0 BEABLO CCOC(=O)COc1cc(C)[nH+]c2ccccc21 ZINC000217445243 170228610 /nfs/dbraw/zinc/22/86/10/170228610.db2.gz PTSFJPFXYUJVDL-UHFFFAOYSA-N 1 2 245.278 2.485 40 0 BEABLO CC[C@H](C)NC(=S)Nc1cc[nH+]cc1 ZINC000225178089 171338907 /nfs/dbraw/zinc/33/89/07/171338907.db2.gz VYDFUGXHDVBHOR-QMMMGPOBSA-N 1 2 209.318 2.167 40 0 BEABLO CCn1ccc(C[NH2+]Cc2ccc(F)s2)n1 ZINC000256051875 172200906 /nfs/dbraw/zinc/20/09/06/172200906.db2.gz KVJJKFCSYQLIKA-UHFFFAOYSA-N 1 2 239.319 2.393 40 0 BEABLO C[N@@H+]1Cc2ccc(Br)cc2C1 ZINC000001727277 173200504 /nfs/dbraw/zinc/20/05/04/173200504.db2.gz MOUHJQRCBSCPEX-UHFFFAOYSA-N 1 2 212.090 2.395 40 0 BEABLO C[N@H+]1Cc2ccc(Br)cc2C1 ZINC000001727277 173200506 /nfs/dbraw/zinc/20/05/06/173200506.db2.gz MOUHJQRCBSCPEX-UHFFFAOYSA-N 1 2 212.090 2.395 40 0 BEABLO COCCCn1cccc1C1=[NH+]CCC1 ZINC000225307322 174266566 /nfs/dbraw/zinc/26/65/66/174266566.db2.gz OGINDOWGABYDPF-UHFFFAOYSA-N 1 2 206.289 2.108 40 0 BEABLO COc1ccc2c(c1)[nH+]c1n2CCCC1 ZINC000226251427 175219581 /nfs/dbraw/zinc/21/95/81/175219581.db2.gz JLFYEQCSJNLNRR-UHFFFAOYSA-N 1 2 202.257 2.381 40 0 BEABLO COc1cccc(-c2n[nH]c([C@H]([NH3+])C(C)C)n2)c1 ZINC000095534715 175236906 /nfs/dbraw/zinc/23/69/06/175236906.db2.gz OLNUFAYRHMGQEW-LLVKDONJSA-N 1 2 246.314 2.136 40 0 BEABLO FC1(F)CCC[C@H]1[NH2+]Cc1cc[nH]c1 ZINC000306240208 490632719 /nfs/dbraw/zinc/63/27/19/490632719.db2.gz HKOZDABTLYYBCP-SECBINFHSA-N 1 2 200.232 2.292 40 0 BEABLO CN(N)c1ccc2cccc(Cl)c2[nH+]1 ZINC000199547126 523620751 /nfs/dbraw/zinc/62/07/51/523620751.db2.gz QMXWSABFHYTZJH-UHFFFAOYSA-N 1 2 207.664 2.198 40 0 BEABLO CCCCCCNc1[nH+]cnc2c1cnn2C ZINC000001562374 342703155 /nfs/dbraw/zinc/70/31/55/342703155.db2.gz WBDGAMWXUFRMSY-UHFFFAOYSA-N 1 2 233.319 2.356 40 0 BEABLO CC[C@H](NC1=[NH+]CCO1)c1cccs1 ZINC000001639248 342706768 /nfs/dbraw/zinc/70/67/68/342706768.db2.gz ANMFSKZAOMFWOH-QMMMGPOBSA-N 1 2 210.302 2.175 40 0 BEABLO Nc1ccc2[nH]c(-c3ccccc3N)[nH+]c2c1 ZINC000006493935 342778519 /nfs/dbraw/zinc/77/85/19/342778519.db2.gz KFVQCKUJPKBKMU-UHFFFAOYSA-N 1 2 224.267 2.394 40 0 BEABLO Cc1cc([C@@H](O)c2ccccc2)c[nH+]c1N ZINC000072222045 259320407 /nfs/dbraw/zinc/32/04/07/259320407.db2.gz XNIZDAWNVSBPFC-LBPRGKRZSA-N 1 2 214.268 2.054 40 0 BEABLO CCN(CC)c1[nH+]cc([C@@H](C)O)cc1C ZINC000072222222 259319999 /nfs/dbraw/zinc/31/99/99/259319999.db2.gz SLMSKIHORMRXHM-SNVBAGLBSA-N 1 2 208.305 2.290 40 0 BEABLO CCCN(CCC)c1ccc(CCO)c[nH+]1 ZINC000072225291 259322420 /nfs/dbraw/zinc/32/24/20/259322420.db2.gz SQDVDYGSBXANEP-UHFFFAOYSA-N 1 2 222.332 2.243 40 0 BEABLO C[C@H]1Cn2c[nH+]cc2CN1C(=O)OC(C)(C)C ZINC000307500116 344851756 /nfs/dbraw/zinc/85/17/56/344851756.db2.gz HPDUVDQMLLEWDH-VIFPVBQESA-N 1 2 237.303 2.022 40 0 BEABLO S=CC1=C2NCCC[N@@H+]2[C@@H]2CCCC[C@H]12 ZINC000000126626 345164482 /nfs/dbraw/zinc/16/44/82/345164482.db2.gz PKKFXCVBJFFZJO-MWLCHTKSSA-N 1 2 222.357 2.065 40 0 BEABLO S=CC1=C2NCCC[N@H+]2[C@@H]2CCCC[C@H]12 ZINC000000126626 345164486 /nfs/dbraw/zinc/16/44/86/345164486.db2.gz PKKFXCVBJFFZJO-MWLCHTKSSA-N 1 2 222.357 2.065 40 0 BEABLO Cc1ccc(C)n1CCCn1cc[nH+]c1 ZINC000000165715 350320046 /nfs/dbraw/zinc/32/00/46/350320046.db2.gz RVTJEACYMMLUDZ-UHFFFAOYSA-N 1 2 203.289 2.392 40 0 BEABLO CCc1cn(-c2cccc(C(=O)OC)c2)c[nH+]1 ZINC000199821360 363186157 /nfs/dbraw/zinc/18/61/57/363186157.db2.gz IHNHLAPWOWKYBU-UHFFFAOYSA-N 1 2 230.267 2.221 40 0 BEABLO Nc1ccc(CC[N@@H+]2CCC(F)(F)C2)cc1 ZINC000095644332 368338226 /nfs/dbraw/zinc/33/82/26/368338226.db2.gz BJBXLZKNHLSBAJ-UHFFFAOYSA-N 1 2 226.270 2.152 40 0 BEABLO Nc1ccc(CC[N@H+]2CCC(F)(F)C2)cc1 ZINC000095644332 368338233 /nfs/dbraw/zinc/33/82/33/368338233.db2.gz BJBXLZKNHLSBAJ-UHFFFAOYSA-N 1 2 226.270 2.152 40 0 BEABLO COc1cc(-c2[nH]cc[nH+]2)cc(OC)c1OC ZINC000041262376 374126411 /nfs/dbraw/zinc/12/64/11/374126411.db2.gz MHNRXWRFZQMYSA-UHFFFAOYSA-N 1 2 234.255 2.103 40 0 BEABLO OC[C@H]1CCCC[N@@H+]1Cc1cnc(Cl)s1 ZINC000072203701 183147921 /nfs/dbraw/zinc/14/79/21/183147921.db2.gz ZSWXNYVFPJGVFV-MRVPVSSYSA-N 1 2 246.763 2.143 40 0 BEABLO OC[C@H]1CCCC[N@H+]1Cc1cnc(Cl)s1 ZINC000072203701 183147922 /nfs/dbraw/zinc/14/79/22/183147922.db2.gz ZSWXNYVFPJGVFV-MRVPVSSYSA-N 1 2 246.763 2.143 40 0 BEABLO c1csc([C@H](NC2=[NH+]CCO2)C2CC2)c1 ZINC000001639242 183521688 /nfs/dbraw/zinc/52/16/88/183521688.db2.gz VJHWETIJMQYHCX-SNVBAGLBSA-N 1 2 222.313 2.175 40 0 BEABLO Cc1[nH+]c2cc(NC(=O)NC(C)C)ccc2n1C ZINC000074978205 384039579 /nfs/dbraw/zinc/03/95/79/384039579.db2.gz XPQUQDNLCPWFAL-UHFFFAOYSA-N 1 2 246.314 2.412 40 0 BEABLO FC(F)(F)Oc1ccc2[nH]c[nH+]c2c1 ZINC000071790192 384179777 /nfs/dbraw/zinc/17/97/77/384179777.db2.gz YBOXTUJLDCBPEO-UHFFFAOYSA-N 1 2 202.135 2.462 40 0 BEABLO Cc1cn(-c2ccc(Br)cn2)c[nH+]1 ZINC000072191852 384198051 /nfs/dbraw/zinc/19/80/51/384198051.db2.gz ZZJHQPQEIHWUBI-UHFFFAOYSA-N 1 2 238.088 2.338 40 0 BEABLO C[C@H]([NH3+])c1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000061843938 384383394 /nfs/dbraw/zinc/38/33/94/384383394.db2.gz QJUGQNHMXAWIFM-LURJTMIESA-N 1 2 222.679 2.145 40 0 BEABLO CC(C)[C@H]1CO[C@@]2(CC[N@H+](Cc3cnc[nH]3)C2)C1 ZINC000096072032 384432072 /nfs/dbraw/zinc/43/20/72/384432072.db2.gz RVPDKXPIDLLUSJ-OCCSQVGLSA-N 1 2 249.358 2.047 40 0 BEABLO CC(C)[C@H]1CO[C@@]2(CC[N@@H+](Cc3cnc[nH]3)C2)C1 ZINC000096072032 384432078 /nfs/dbraw/zinc/43/20/78/384432078.db2.gz RVPDKXPIDLLUSJ-OCCSQVGLSA-N 1 2 249.358 2.047 40 0 BEABLO O=C1NCCNc2c3ccc(Cl)cc3[nH+]cc21 ZINC000053994737 384816617 /nfs/dbraw/zinc/81/66/17/384816617.db2.gz HSJNEIKOHVDQOG-UHFFFAOYSA-N 1 2 247.685 2.044 40 0 BEABLO CNc1ccc([C@H]2CCCCN2C(C)=O)c[nH+]1 ZINC000072212510 385075706 /nfs/dbraw/zinc/07/57/06/385075706.db2.gz XINVUMHYQFOQNS-GFCCVEGCSA-N 1 2 233.315 2.197 40 0 BEABLO CCNc1ccc([C@H]2CCCN2C(C)=O)c[nH+]1 ZINC000072213068 385080124 /nfs/dbraw/zinc/08/01/24/385080124.db2.gz QDMZQOKCAQKVKU-GFCCVEGCSA-N 1 2 233.315 2.197 40 0 BEABLO CC(=O)N1CCC[C@H]1c1c[nH+]c(N(C)C)c(C)c1 ZINC000072218613 385101399 /nfs/dbraw/zinc/10/13/99/385101399.db2.gz XDEJSNXRFFOUDJ-ZDUSSCGKSA-N 1 2 247.342 2.139 40 0 BEABLO c1csc(C[N@@H+]2CCC[C@@H]2c2cnccn2)n1 ZINC000257256618 385759534 /nfs/dbraw/zinc/75/95/34/385759534.db2.gz KMFWBFGRUBBNSM-LLVKDONJSA-N 1 2 246.339 2.270 40 0 BEABLO c1csc(C[N@H+]2CCC[C@@H]2c2cnccn2)n1 ZINC000257256618 385759539 /nfs/dbraw/zinc/75/95/39/385759539.db2.gz KMFWBFGRUBBNSM-LLVKDONJSA-N 1 2 246.339 2.270 40 0 BEABLO CC(C)[C@H]([NH3+])c1nc(-c2ccccc2)n[nH]1 ZINC000042013490 398130179 /nfs/dbraw/zinc/13/01/79/398130179.db2.gz LDNJWITWIYNEGN-JTQLQIEISA-N 1 2 216.288 2.128 40 0 BEABLO CCOC(=[NH2+])CC(=O)N[C@@H](C)c1ccccc1 ZINC000102946664 170180496 /nfs/dbraw/zinc/18/04/96/170180496.db2.gz HDCMRRCBSJEOHU-JTQLQIEISA-N 1 2 234.299 2.268 40 0 BEABLO CCOC(=O)C(F)(F)[C@@H]([NH3+])c1cccc(F)c1 ZINC000199566672 170188086 /nfs/dbraw/zinc/18/80/86/170188086.db2.gz QWAKYJACYYXICM-VIFPVBQESA-N 1 2 247.216 2.024 40 0 BEABLO COc1ccc(-c2c[nH]c[nH+]2)c(OC)c1 ZINC000041212581 175037066 /nfs/dbraw/zinc/03/70/66/175037066.db2.gz ZSKPTAMUKOFFEH-UHFFFAOYSA-N 1 2 204.229 2.094 40 0 BEABLO COc1cccc(Nc2[nH+]cccc2N)c1 ZINC000020317567 175280615 /nfs/dbraw/zinc/28/06/15/175280615.db2.gz YIHWKGHDHXERJB-UHFFFAOYSA-N 1 2 215.256 2.416 40 0 BEABLO C[C@H](c1ccccc1)[N@@H+]1CC(=O)C2(CC2)C1 ZINC000261507951 177039310 /nfs/dbraw/zinc/03/93/10/177039310.db2.gz ODQFLTXVAZULNR-LLVKDONJSA-N 1 2 215.296 2.413 40 0 BEABLO C[C@H](c1ccccc1)[N@H+]1CC(=O)C2(CC2)C1 ZINC000261507951 177039312 /nfs/dbraw/zinc/03/93/12/177039312.db2.gz ODQFLTXVAZULNR-LLVKDONJSA-N 1 2 215.296 2.413 40 0 BEABLO CC(C)[C@H]1CO[C@]2(CC[N@H+](Cc3cnc[nH]3)C2)C1 ZINC000096072030 490360424 /nfs/dbraw/zinc/36/04/24/490360424.db2.gz RVPDKXPIDLLUSJ-TZMCWYRMSA-N 1 2 249.358 2.047 40 0 BEABLO CC(C)[C@H]1CO[C@]2(CC[N@@H+](Cc3cnc[nH]3)C2)C1 ZINC000096072030 490360427 /nfs/dbraw/zinc/36/04/27/490360427.db2.gz RVPDKXPIDLLUSJ-TZMCWYRMSA-N 1 2 249.358 2.047 40 0 BEABLO OCCc1[nH+]c(-c2ccccc2)n2c1CCCC2 ZINC000225746848 527576410 /nfs/dbraw/zinc/57/64/10/527576410.db2.gz KLXHMYVKFKRITG-UHFFFAOYSA-N 1 2 242.322 2.421 40 0 BEABLO [NH3+][C@H]1Nc2ccc(Br)cc2S1 ZINC000000406416 342686933 /nfs/dbraw/zinc/68/69/33/342686933.db2.gz VSXKTDHBBAKHAR-ZETCQYMHSA-N 1 2 231.118 2.209 40 0 BEABLO Cc1cc(N2CCCCC2)[nH+]cc1C=O ZINC000072221145 259319540 /nfs/dbraw/zinc/31/95/40/259319540.db2.gz FJQRGCZLHMZGQD-UHFFFAOYSA-N 1 2 204.273 2.193 40 0 BEABLO CC[C@H](O)c1ccc(N(CC)CC)[nH+]c1 ZINC000072225258 259322415 /nfs/dbraw/zinc/32/24/15/259322415.db2.gz ZBOGBCFHZXQTNY-NSHDSACASA-N 1 2 208.305 2.371 40 0 BEABLO NNc1cc[nH+]c2cc(OC(F)(F)F)ccc12 ZINC000058573993 259336337 /nfs/dbraw/zinc/33/63/37/259336337.db2.gz IKTKPCVVXMOSOS-UHFFFAOYSA-N 1 2 243.188 2.419 40 0 BEABLO CC(C)[C@@H]1CO[C@]2(CC[N@H+](Cc3cnc[nH]3)C2)C1 ZINC000096072031 191055195 /nfs/dbraw/zinc/05/51/95/191055195.db2.gz RVPDKXPIDLLUSJ-GXTWGEPZSA-N 1 2 249.358 2.047 40 0 BEABLO CC(C)[C@@H]1CO[C@]2(CC[N@@H+](Cc3cnc[nH]3)C2)C1 ZINC000096072031 191055196 /nfs/dbraw/zinc/05/51/96/191055196.db2.gz RVPDKXPIDLLUSJ-GXTWGEPZSA-N 1 2 249.358 2.047 40 0 BEABLO COc1cccc(-c2[nH]cc[nH+]2)c1OC ZINC000168801868 357237544 /nfs/dbraw/zinc/23/75/44/357237544.db2.gz HUFJRJMDCLGVIX-UHFFFAOYSA-N 1 2 204.229 2.094 40 0 BEABLO CNc1[nH+]cc([C@H]2CCCCN2C=O)cc1C ZINC000072219013 259529538 /nfs/dbraw/zinc/52/95/38/259529538.db2.gz LAARERSOFVETOS-GFCCVEGCSA-N 1 2 233.315 2.115 40 0 BEABLO Oc1ccc(CNc2cccc[nH+]2)cc1 ZINC000019776921 183272335 /nfs/dbraw/zinc/27/23/35/183272335.db2.gz JGOVHMYSXVVYMK-UHFFFAOYSA-N 1 2 200.241 2.399 40 0 BEABLO c1cc([C@@H]2CCC[N@H+]2Cc2ccccn2)n[nH]1 ZINC000019695484 183399677 /nfs/dbraw/zinc/39/96/77/183399677.db2.gz KTJVNEOPQKHVIC-ZDUSSCGKSA-N 1 2 228.299 2.142 40 0 BEABLO c1cc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n[nH]1 ZINC000019695484 183399679 /nfs/dbraw/zinc/39/96/79/183399679.db2.gz KTJVNEOPQKHVIC-ZDUSSCGKSA-N 1 2 228.299 2.142 40 0 BEABLO CC[C@@H](NC1=[NH+]CCO1)c1cccs1 ZINC000003607568 384019857 /nfs/dbraw/zinc/01/98/57/384019857.db2.gz ANMFSKZAOMFWOH-MRVPVSSYSA-N 1 2 210.302 2.175 40 0 BEABLO COC(=O)c1cc(N)ccc1[NH+]1CCCCCC1 ZINC000041079920 384177381 /nfs/dbraw/zinc/17/73/81/384177381.db2.gz PVZGZYYDHBOVFM-UHFFFAOYSA-N 1 2 248.326 2.436 40 0 BEABLO Cc1cn[nH]c1[C@H]1CCC[N@H+]1Cc1ccncc1 ZINC000072357068 384211742 /nfs/dbraw/zinc/21/17/42/384211742.db2.gz SRMWGQMRZATEQL-CYBMUJFWSA-N 1 2 242.326 2.450 40 0 BEABLO c1cc([C@H]2CCC[N@H+]2Cc2cccnc2)n[nH]1 ZINC000072381588 384217987 /nfs/dbraw/zinc/21/79/87/384217987.db2.gz DUENQEHXHAPZAA-CYBMUJFWSA-N 1 2 228.299 2.142 40 0 BEABLO c1cc([C@H]2CCC[N@@H+]2Cc2cccnc2)n[nH]1 ZINC000072381588 384217994 /nfs/dbraw/zinc/21/79/94/384217994.db2.gz DUENQEHXHAPZAA-CYBMUJFWSA-N 1 2 228.299 2.142 40 0 BEABLO Nc1cc(-c2cc(F)ccc2O)cc[nH+]1 ZINC000098175378 384597703 /nfs/dbraw/zinc/59/77/03/384597703.db2.gz JMNLKCVCTPHIIV-UHFFFAOYSA-N 1 2 204.204 2.176 40 0 BEABLO CC(C)CNc1ccc([C@@H]2CCCN2C=O)c[nH+]1 ZINC000072213301 385078134 /nfs/dbraw/zinc/07/81/34/385078134.db2.gz NFVMETQPFHSRNE-ZDUSSCGKSA-N 1 2 247.342 2.443 40 0 BEABLO CCN(C)c1[nH+]cccc1[C@@H]1CCCN1C(C)=O ZINC000072212769 385079078 /nfs/dbraw/zinc/07/90/78/385079078.db2.gz OZAAMHPOFBAOFW-ZDUSSCGKSA-N 1 2 247.342 2.221 40 0 BEABLO CCCNc1[nH+]cccc1[C@H]1CCCN1C=O ZINC000072213122 385079092 /nfs/dbraw/zinc/07/90/92/385079092.db2.gz IANANTPORNXCDB-GFCCVEGCSA-N 1 2 233.315 2.197 40 0 BEABLO CCN(C)c1[nH+]cccc1[C@H]1CCCCN1C=O ZINC000072212809 385079707 /nfs/dbraw/zinc/07/97/07/385079707.db2.gz UXTZTDNQEHCKAE-CYBMUJFWSA-N 1 2 247.342 2.221 40 0 BEABLO O=CN1CCC[C@H]1c1ccc[nH+]c1NC1CCC1 ZINC000072213885 385083517 /nfs/dbraw/zinc/08/35/17/385083517.db2.gz LRTULODMBKDUSZ-ZDUSSCGKSA-N 1 2 245.326 2.339 40 0 BEABLO Cc1[nH+]c(N2CCCCC2)ccc1C=O ZINC000072224533 385118886 /nfs/dbraw/zinc/11/88/86/385118886.db2.gz SPNGPJJFFVSAME-UHFFFAOYSA-N 1 2 204.273 2.193 40 0 BEABLO CNc1[nH+]cc([C@@H]2CCCN2C(C)=O)cc1C ZINC000072218973 385105400 /nfs/dbraw/zinc/10/54/00/385105400.db2.gz QYVRMQZAEPTZSN-LBPRGKRZSA-N 1 2 233.315 2.115 40 0 BEABLO CC[NH+](CC)c1ccc(CCCO)cc1 ZINC000058002172 385194466 /nfs/dbraw/zinc/19/44/66/385194466.db2.gz ZVMVRPHEQWLRBP-UHFFFAOYSA-N 1 2 207.317 2.458 40 0 BEABLO c1csc(C[N@@H+]2CCC[C@H]2c2cnccn2)n1 ZINC000257256619 385759476 /nfs/dbraw/zinc/75/94/76/385759476.db2.gz KMFWBFGRUBBNSM-NSHDSACASA-N 1 2 246.339 2.270 40 0 BEABLO c1csc(C[N@H+]2CCC[C@H]2c2cnccn2)n1 ZINC000257256619 385759482 /nfs/dbraw/zinc/75/94/82/385759482.db2.gz KMFWBFGRUBBNSM-NSHDSACASA-N 1 2 246.339 2.270 40 0 BEABLO CC[C@H]1CSC2=[NH+][C@@H](c3ccccn3)CN21 ZINC000222639307 386058194 /nfs/dbraw/zinc/05/81/94/386058194.db2.gz UYNCEWGAJVXHGO-GXSJLCMTSA-N 1 2 233.340 2.320 40 0 BEABLO CC[NH+](CC)c1ccc(N)cc1C(=O)NC1CC1 ZINC000225484041 386198393 /nfs/dbraw/zinc/19/83/93/386198393.db2.gz YZMQYGDRKVPCIC-UHFFFAOYSA-N 1 2 247.342 2.007 40 0 BEABLO CO[C@@H](C)C[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000336029878 387010876 /nfs/dbraw/zinc/01/08/76/387010876.db2.gz BXDXPCKOGXSDRO-LBPRGKRZSA-N 1 2 244.338 2.492 40 0 BEABLO CO[C@@H](C)C[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000336029878 387010880 /nfs/dbraw/zinc/01/08/80/387010880.db2.gz BXDXPCKOGXSDRO-LBPRGKRZSA-N 1 2 244.338 2.492 40 0 BEABLO NC(=[NH2+])Nc1nc2cc(C(F)(F)F)ccc2o1 ZINC000096327256 388653647 /nfs/dbraw/zinc/65/36/47/388653647.db2.gz YYXKYGZSUOETOF-UHFFFAOYSA-N 1 2 244.176 2.152 40 0 BEABLO CC[C@H](O)c1ccc(N2CCCC2)[nH+]c1 ZINC000072225430 322908798 /nfs/dbraw/zinc/90/87/98/322908798.db2.gz VVRSJRZPMBOKBO-NSHDSACASA-N 1 2 206.289 2.125 40 0 BEABLO CC[N@@H+]1Cc2nccn2C[C@@H]1c1ccccc1 ZINC000257232557 170040882 /nfs/dbraw/zinc/04/08/82/170040882.db2.gz GLJIYZKGUSESLF-CYBMUJFWSA-N 1 2 227.311 2.460 40 0 BEABLO CC[N@H+]1Cc2nccn2C[C@@H]1c1ccccc1 ZINC000257232557 170040883 /nfs/dbraw/zinc/04/08/83/170040883.db2.gz GLJIYZKGUSESLF-CYBMUJFWSA-N 1 2 227.311 2.460 40 0 BEABLO CCN1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257232557 170040884 /nfs/dbraw/zinc/04/08/84/170040884.db2.gz GLJIYZKGUSESLF-CYBMUJFWSA-N 1 2 227.311 2.460 40 0 BEABLO COc1cccc(NC2=[NH+]CCS2)c1 ZINC000001574711 175278018 /nfs/dbraw/zinc/27/80/18/175278018.db2.gz MDRGMHKOGQLNTM-UHFFFAOYSA-N 1 2 208.286 2.210 40 0 BEABLO CCN(C)c1[nH+]cccc1[C@H]1CCCN1C(C)=O ZINC000072212770 259317644 /nfs/dbraw/zinc/31/76/44/259317644.db2.gz OZAAMHPOFBAOFW-CYBMUJFWSA-N 1 2 247.342 2.221 40 0 BEABLO C/C=C(/c1ccccc1)[NH+]1CCOCC1 ZINC000001737782 342711807 /nfs/dbraw/zinc/71/18/07/342711807.db2.gz HTJIRDFVGHHLMZ-SILLCRNTSA-N 1 2 203.285 2.380 40 0 BEABLO CCN1CC[N@H+](CC)C1c1ccccc1 ZINC000019319692 342945380 /nfs/dbraw/zinc/94/53/80/342945380.db2.gz WVKVIIZOIXEUDN-UHFFFAOYSA-N 1 2 204.317 2.343 40 0 BEABLO CCN1CC[N@@H+](CC)C1c1ccccc1 ZINC000019319692 342945381 /nfs/dbraw/zinc/94/53/81/342945381.db2.gz WVKVIIZOIXEUDN-UHFFFAOYSA-N 1 2 204.317 2.343 40 0 BEABLO Cn1c2ccc(Cl)cc2[nH+]c1CCCO ZINC000040417038 343402515 /nfs/dbraw/zinc/40/25/15/343402515.db2.gz VBCLUIKALRJRGP-UHFFFAOYSA-N 1 2 224.691 2.152 40 0 BEABLO Cn1c2cc(Cl)ccc2[nH+]c1CCCO ZINC000040417039 343402528 /nfs/dbraw/zinc/40/25/28/343402528.db2.gz HANTVZGVWKSYTJ-UHFFFAOYSA-N 1 2 224.691 2.152 40 0 BEABLO CCOC(=O)c1c[nH+]c2c(C)ccc(F)c2c1N ZINC000050843269 259371794 /nfs/dbraw/zinc/37/17/94/259371794.db2.gz JLSVQDLOQDSEFT-UHFFFAOYSA-N 1 2 248.257 2.441 40 0 BEABLO C[NH2+][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000140406432 345854008 /nfs/dbraw/zinc/85/40/08/345854008.db2.gz UZKARLOPBFXQHH-LBPRGKRZSA-N 1 2 235.327 2.159 40 0 BEABLO CC(=O)Nc1cc([NH+]2CCCC2)c(C)cc1N ZINC000216863917 187372396 /nfs/dbraw/zinc/37/23/96/187372396.db2.gz UYNWDHMWYSLLOK-UHFFFAOYSA-N 1 2 233.315 2.136 40 0 BEABLO [NH2+]=C(NO)c1cccc(C(F)(F)F)c1F ZINC000006862813 181199840 /nfs/dbraw/zinc/19/98/40/181199840.db2.gz MBRYJYWDJZBQKJ-UHFFFAOYSA-N 1 2 222.141 2.149 40 0 BEABLO Cc1cc(Cl)nc([C@H]2CCC[N@H+]2C)n1 ZINC000205697173 368357976 /nfs/dbraw/zinc/35/79/76/368357976.db2.gz MBGCENZKNUKUCY-MRVPVSSYSA-N 1 2 211.696 2.205 40 0 BEABLO Cc1cc(Cl)nc([C@H]2CCC[N@@H+]2C)n1 ZINC000205697173 368357979 /nfs/dbraw/zinc/35/79/79/368357979.db2.gz MBGCENZKNUKUCY-MRVPVSSYSA-N 1 2 211.696 2.205 40 0 BEABLO Nc1[o+]nn(-c2ccccc2)c1-c1ccccc1 ZINC000012433193 181819682 /nfs/dbraw/zinc/81/96/82/181819682.db2.gz LUJPAXNHDYAUNM-UHFFFAOYSA-N 1 2 238.270 2.201 40 0 BEABLO c1cc([C@H]2CCC[N@H+]2Cc2ccncc2)n[nH]1 ZINC000072187780 183341824 /nfs/dbraw/zinc/34/18/24/183341824.db2.gz RRRRSFDVDUIIRA-CYBMUJFWSA-N 1 2 228.299 2.142 40 0 BEABLO c1cc([C@H]2CCC[N@@H+]2Cc2ccncc2)n[nH]1 ZINC000072187780 183341826 /nfs/dbraw/zinc/34/18/26/183341826.db2.gz RRRRSFDVDUIIRA-CYBMUJFWSA-N 1 2 228.299 2.142 40 0 BEABLO c1cc([C@@H]2COCC[N@H+]2C2CCCCC2)n[nH]1 ZINC000257283094 183362030 /nfs/dbraw/zinc/36/20/30/183362030.db2.gz OWSWIHPUCRYLBC-ZDUSSCGKSA-N 1 2 235.331 2.116 40 0 BEABLO c1cc([C@@H]2COCC[N@@H+]2C2CCCCC2)n[nH]1 ZINC000257283094 183362034 /nfs/dbraw/zinc/36/20/34/183362034.db2.gz OWSWIHPUCRYLBC-ZDUSSCGKSA-N 1 2 235.331 2.116 40 0 BEABLO Cc1ccc(C)c([C@H](C)NC2=[NH+]CCO2)c1 ZINC000002016943 383944322 /nfs/dbraw/zinc/94/43/22/383944322.db2.gz BQZYSCMFDMDYNC-NSHDSACASA-N 1 2 218.300 2.340 40 0 BEABLO COC(=[NH2+])c1ccc(Br)cc1 ZINC000037927984 384042994 /nfs/dbraw/zinc/04/29/94/384042994.db2.gz HLEWKZFDAZECQR-UHFFFAOYSA-N 1 2 214.062 2.421 40 0 BEABLO CCCCNC(=S)Nc1cc[nH+]cc1 ZINC000013837232 384376107 /nfs/dbraw/zinc/37/61/07/384376107.db2.gz MOTKPZXQXDGUOQ-UHFFFAOYSA-N 1 2 209.318 2.168 40 0 BEABLO CC[NH+](CC)c1ccc(N)cc1NC(C)=O ZINC000146490992 384761470 /nfs/dbraw/zinc/76/14/70/384761470.db2.gz RTLPDRIXHOKBDO-UHFFFAOYSA-N 1 2 221.304 2.073 40 0 BEABLO CCCNc1ccc([C@@H]2CCCN2C=O)c[nH+]1 ZINC000072213181 385077985 /nfs/dbraw/zinc/07/79/85/385077985.db2.gz BJEKKUYAKZFTMV-LBPRGKRZSA-N 1 2 233.315 2.197 40 0 BEABLO Cc1cc([C@@H](C)O)c[nH+]c1N1CCCCC1 ZINC000072222457 385109326 /nfs/dbraw/zinc/10/93/26/385109326.db2.gz ABOMIMOFIDMXDL-LLVKDONJSA-N 1 2 220.316 2.434 40 0 BEABLO Cc1cc2c(cc1C)C[NH+](CC(=O)NC(C)C)C2 ZINC000409197340 385507725 /nfs/dbraw/zinc/50/77/25/385507725.db2.gz CBQFTBDFSNZXDS-UHFFFAOYSA-N 1 2 246.354 2.144 40 0 BEABLO Cc1cc(C[N@@H+]2CCC[C@H]2c2cnccn2)no1 ZINC000257259862 385758794 /nfs/dbraw/zinc/75/87/94/385758794.db2.gz LAIOJWFUCLFFRX-ZDUSSCGKSA-N 1 2 244.298 2.110 40 0 BEABLO Cc1cc(C[N@H+]2CCC[C@H]2c2cnccn2)no1 ZINC000257259862 385758802 /nfs/dbraw/zinc/75/88/02/385758802.db2.gz LAIOJWFUCLFFRX-ZDUSSCGKSA-N 1 2 244.298 2.110 40 0 BEABLO Cc1c[nH]c([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000257287749 385760837 /nfs/dbraw/zinc/76/08/37/385760837.db2.gz PRJAOAVIIUGSJH-ZDUSSCGKSA-N 1 2 242.326 2.450 40 0 BEABLO Cc1c[nH]c([C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000257287749 385760839 /nfs/dbraw/zinc/76/08/39/385760839.db2.gz PRJAOAVIIUGSJH-ZDUSSCGKSA-N 1 2 242.326 2.450 40 0 BEABLO C[C@@H]1CN2C(=[NH+][C@@H](c3ccccn3)[C@@H]2C)S1 ZINC000222555836 386052492 /nfs/dbraw/zinc/05/24/92/386052492.db2.gz OJCJSJJNJMHORN-WCABBAIRSA-N 1 2 233.340 2.318 40 0 BEABLO CC(C)(C)NC(=S)Nc1cc[nH+]cc1 ZINC000223881766 386108155 /nfs/dbraw/zinc/10/81/55/386108155.db2.gz ROMYDQKCOSLRPQ-UHFFFAOYSA-N 1 2 209.318 2.167 40 0 BEABLO Cc1ccc(CNC(=S)Nc2cc[nH+]cc2)o1 ZINC000223905970 386111557 /nfs/dbraw/zinc/11/15/57/386111557.db2.gz NCKGXHMQXAXSBS-UHFFFAOYSA-N 1 2 247.323 2.470 40 0 BEABLO CC(C)Cn1ccc(C[NH2+]Cc2ccco2)n1 ZINC000256051253 387859228 /nfs/dbraw/zinc/85/92/28/387859228.db2.gz IKNZPNPSNGECAZ-UHFFFAOYSA-N 1 2 233.315 2.422 40 0 BEABLO Brc1csc2c[nH+]cn12 ZINC000091692501 166105973 /nfs/dbraw/zinc/10/59/73/166105973.db2.gz XVSDZCXZVRYTHC-UHFFFAOYSA-N 1 2 203.064 2.158 40 0 BEABLO CC(C)CNC(=S)Nc1cc[nH+]cc1 ZINC000013837242 167001566 /nfs/dbraw/zinc/00/15/66/167001566.db2.gz AOBKPRBXNPYMSE-UHFFFAOYSA-N 1 2 209.318 2.024 40 0 BEABLO CC(C)c1[nH+]c2ccccc2n1CCC(N)=O ZINC000005547686 167682610 /nfs/dbraw/zinc/68/26/10/167682610.db2.gz ZLWKIJXFQUXLIX-UHFFFAOYSA-N 1 2 231.299 2.035 40 0 BEABLO c1[nH]c2ccc(Oc3ncccn3)cc2[nH+]1 ZINC000575424360 411290800 /nfs/dbraw/zinc/29/08/00/411290800.db2.gz ZPORZXJMGXNBEG-UHFFFAOYSA-N 1 2 212.212 2.145 40 0 BEABLO CC[N@@H+]1Cc2nccn2C[C@H]1c1ccccc1 ZINC000257232558 170041118 /nfs/dbraw/zinc/04/11/18/170041118.db2.gz GLJIYZKGUSESLF-ZDUSSCGKSA-N 1 2 227.311 2.460 40 0 BEABLO CC[N@H+]1Cc2nccn2C[C@H]1c1ccccc1 ZINC000257232558 170041120 /nfs/dbraw/zinc/04/11/20/170041120.db2.gz GLJIYZKGUSESLF-ZDUSSCGKSA-N 1 2 227.311 2.460 40 0 BEABLO CCN1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257232558 170041121 /nfs/dbraw/zinc/04/11/21/170041121.db2.gz GLJIYZKGUSESLF-ZDUSSCGKSA-N 1 2 227.311 2.460 40 0 BEABLO CCOC(=N)c1ccc(C(=[NH2+])OCC)cc1 ZINC000005315119 170179947 /nfs/dbraw/zinc/17/99/47/170179947.db2.gz DMSRHQUOJVYYHU-UHFFFAOYSA-N 1 2 220.272 2.410 40 0 BEABLO CCOC(=[NH2+])c1cc(OC)c(OC)c(OC)c1 ZINC000034143889 170180199 /nfs/dbraw/zinc/18/01/99/170180199.db2.gz KHZXWWHAFMMYQE-UHFFFAOYSA-N 1 2 239.271 2.074 40 0 BEABLO CNC(=S)Nc1cc(C)[nH+]c2ccccc12 ZINC000006275740 173316627 /nfs/dbraw/zinc/31/66/27/173316627.db2.gz NUDHKQWLNUKKAH-UHFFFAOYSA-N 1 2 231.324 2.459 40 0 BEABLO C[C@H]1CN2C(=[NH+][C@@H](c3ccccn3)[C@@H]2C)S1 ZINC000222555899 177278983 /nfs/dbraw/zinc/27/89/83/177278983.db2.gz OJCJSJJNJMHORN-ATZCPNFKSA-N 1 2 233.340 2.318 40 0 BEABLO FC1(F)CCC[C@@H]1[NH2+]Cc1cc[nH]c1 ZINC000306240693 490633558 /nfs/dbraw/zinc/63/35/58/490633558.db2.gz HKOZDABTLYYBCP-VIFPVBQESA-N 1 2 200.232 2.292 40 0 BEABLO COC(=N)c1[nH+]c(C2CC2)n2ccccc12 ZINC000225745379 522737154 /nfs/dbraw/zinc/73/71/54/522737154.db2.gz NJKNHKRRGZXIKF-UHFFFAOYSA-N 1 2 215.256 2.183 40 0 BEABLO CN(N)c1ccc2cc(Cl)ccc2[nH+]1 ZINC000199546701 523621706 /nfs/dbraw/zinc/62/17/06/523621706.db2.gz WPHAVVFRRYRXNT-UHFFFAOYSA-N 1 2 207.664 2.198 40 0 BEABLO CN(N)c1cccc(C(Cl)(Cl)Cl)[nH+]1 ZINC000199546475 523621879 /nfs/dbraw/zinc/62/18/79/523621879.db2.gz OQYWYCVJGNZYRA-UHFFFAOYSA-N 1 2 240.521 2.218 40 0 BEABLO CC[NH2+]c1ccc(N2CCOCC2)c(C)c1 ZINC000226284734 535525567 /nfs/dbraw/zinc/52/55/67/535525567.db2.gz RREHTRIUHGPLQG-UHFFFAOYSA-N 1 2 220.316 2.263 40 0 BEABLO CC[C@@H](O)c1c[nH+]c(N(C)CC)c(C)c1 ZINC000072222201 259319936 /nfs/dbraw/zinc/31/99/36/259319936.db2.gz JAIWVIQOINHHPB-LLVKDONJSA-N 1 2 208.305 2.290 40 0 BEABLO Cc1cc([C@H](O)c2ccccc2)c[nH+]c1N ZINC000072222044 259320133 /nfs/dbraw/zinc/32/01/33/259320133.db2.gz XNIZDAWNVSBPFC-GFCCVEGCSA-N 1 2 214.268 2.054 40 0 BEABLO COc1ncc(C2=[NH+]CCCC2)cc1C ZINC000072217732 259332832 /nfs/dbraw/zinc/33/28/32/259332832.db2.gz XFHYOTPCIGOZCB-UHFFFAOYSA-N 1 2 204.273 2.372 40 0 BEABLO c1n[nH]cc1C[NH2+]Cc1csc(C2CC2)n1 ZINC000095093906 346895024 /nfs/dbraw/zinc/89/50/24/346895024.db2.gz PZMKVVKMTGZGQV-UHFFFAOYSA-N 1 2 234.328 2.033 40 0 BEABLO Cc1ccc(Nc2cc(N)nc[nH+]2)cc1 ZINC000001685636 346464563 /nfs/dbraw/zinc/46/45/63/346464563.db2.gz MTQLDBNSDIKUKO-UHFFFAOYSA-N 1 2 200.245 2.111 40 0 BEABLO Cc1ccc(Nc2cc(N)[nH+]cn2)cc1 ZINC000001685636 346464566 /nfs/dbraw/zinc/46/45/66/346464566.db2.gz MTQLDBNSDIKUKO-UHFFFAOYSA-N 1 2 200.245 2.111 40 0 BEABLO CN(CCCc1[nH]c2ccccc2[nH+]1)N=O ZINC000004772405 346607144 /nfs/dbraw/zinc/60/71/44/346607144.db2.gz LNMNVOMSLNFHTL-UHFFFAOYSA-N 1 2 218.260 2.109 40 0 BEABLO Cc1[nH+]ccc2c(C)c3c(cc12)=NC1=CC=CCC=31 ZINC000002556351 180209241 /nfs/dbraw/zinc/20/92/41/180209241.db2.gz PHZODUFKVBJVJO-UHFFFAOYSA-N 1 2 246.313 2.479 40 0 BEABLO CC(C)CNc1ccc([C@H]2CCCN2C=O)c[nH+]1 ZINC000072213302 259527482 /nfs/dbraw/zinc/52/74/82/259527482.db2.gz NFVMETQPFHSRNE-CYBMUJFWSA-N 1 2 247.342 2.443 40 0 BEABLO Cc1cc([C@@H](C)O)c[nH+]c1N1CCCC1 ZINC000072222434 259530936 /nfs/dbraw/zinc/53/09/36/259530936.db2.gz HFDWKCOTGHJYFK-SNVBAGLBSA-N 1 2 206.289 2.044 40 0 BEABLO O=Cc1ccc(F)cc1C[NH+]1CCSCC1 ZINC000095738680 182867334 /nfs/dbraw/zinc/86/73/34/182867334.db2.gz MGVFUJHTOKXSAI-UHFFFAOYSA-N 1 2 239.315 2.187 40 0 BEABLO CCCCn1c(C=O)ccc1Cn1cc[nH+]c1 ZINC000078404638 169033410 /nfs/dbraw/zinc/03/34/10/169033410.db2.gz AGDGAZKRIQSEEG-UHFFFAOYSA-N 1 2 231.299 2.346 40 0 BEABLO O=C1C(c2ccccc2)Sc2ccnc[n+]21 ZINC000035655307 183253069 /nfs/dbraw/zinc/25/30/69/183253069.db2.gz VFHPGBFQQLOKGS-UHFFFAOYSA-O 1 2 229.284 2.254 40 0 BEABLO c1cc([C@H]2COCC[N@H+]2C2CCCCC2)n[nH]1 ZINC000257283093 183363897 /nfs/dbraw/zinc/36/38/97/183363897.db2.gz OWSWIHPUCRYLBC-CYBMUJFWSA-N 1 2 235.331 2.116 40 0 BEABLO c1cc([C@H]2COCC[N@@H+]2C2CCCCC2)n[nH]1 ZINC000257283093 183363899 /nfs/dbraw/zinc/36/38/99/183363899.db2.gz OWSWIHPUCRYLBC-CYBMUJFWSA-N 1 2 235.331 2.116 40 0 BEABLO c1c(-c2ccc3c(c2)OCCO3)[nH+]c2n1CCC2 ZINC000001516447 183367049 /nfs/dbraw/zinc/36/70/49/183367049.db2.gz YMDLOUACGDIVIL-UHFFFAOYSA-N 1 2 242.278 2.268 40 0 BEABLO c1cc([C@@H]2CCC[N@@H+](Cc3cncs3)C2)[nH]n1 ZINC000121187157 183360477 /nfs/dbraw/zinc/36/04/77/183360477.db2.gz NDGZPNSUNNAHRK-SNVBAGLBSA-N 1 2 248.355 2.246 40 0 BEABLO c1cc([C@@H]2CCC[N@H+](Cc3cncs3)C2)[nH]n1 ZINC000121187157 183360478 /nfs/dbraw/zinc/36/04/78/183360478.db2.gz NDGZPNSUNNAHRK-SNVBAGLBSA-N 1 2 248.355 2.246 40 0 BEABLO c1cc([C@H]2CCC[N@H+]2Cc2ccccn2)n[nH]1 ZINC000019695485 183399472 /nfs/dbraw/zinc/39/94/72/183399472.db2.gz KTJVNEOPQKHVIC-CYBMUJFWSA-N 1 2 228.299 2.142 40 0 BEABLO c1cc([C@H]2CCC[N@@H+]2Cc2ccccn2)n[nH]1 ZINC000019695485 183399475 /nfs/dbraw/zinc/39/94/75/183399475.db2.gz KTJVNEOPQKHVIC-CYBMUJFWSA-N 1 2 228.299 2.142 40 0 BEABLO OCc1[nH+]c(-c2ccccc2)c2ccccn21 ZINC000225780408 384438686 /nfs/dbraw/zinc/43/86/86/384438686.db2.gz CDXNRQOTPCAYLM-UHFFFAOYSA-N 1 2 224.263 2.494 40 0 BEABLO C[C@H](O)CCCc1[nH]c2ccccc2[nH+]1 ZINC000082086990 384644647 /nfs/dbraw/zinc/64/46/47/384644647.db2.gz YPXVMRKDBDPJTN-VIFPVBQESA-N 1 2 204.273 2.266 40 0 BEABLO Cc1ccc(NC=Cc2cc[n+]([O-])cc2)[nH+]c1 ZINC000104094509 384799038 /nfs/dbraw/zinc/79/90/38/384799038.db2.gz PUOHODOHCWFMNW-DAXSKMNVSA-N 1 2 227.267 2.106 40 0 BEABLO Cc1cn(-c2ccc(C=O)cc2F)c[nH+]1 ZINC000085223521 384928687 /nfs/dbraw/zinc/92/86/87/384928687.db2.gz PFMQXOURKMPGNP-UHFFFAOYSA-N 1 2 204.204 2.132 40 0 BEABLO Cc1cc([NH3+])ccc1N1C[C@@H](C)O[C@H](C)C1 ZINC000036950048 384980900 /nfs/dbraw/zinc/98/09/00/384980900.db2.gz MCSWCGYAZDDPED-GHMZBOCLSA-N 1 2 220.316 2.191 40 0 BEABLO CCNc1ccc([C@H]2CCCCN2C=O)c[nH+]1 ZINC000072213107 385078838 /nfs/dbraw/zinc/07/88/38/385078838.db2.gz LLUKGDBQVAOIPJ-GFCCVEGCSA-N 1 2 233.315 2.197 40 0 BEABLO CCN(CC)c1[nH+]cccc1[C@H]1CCCN1C=O ZINC000072212884 385079313 /nfs/dbraw/zinc/07/93/13/385079313.db2.gz DXXJNYCQDOVBPI-CYBMUJFWSA-N 1 2 247.342 2.221 40 0 BEABLO CCN(C)c1ccc([C@H]2CCCCN2C=O)c[nH+]1 ZINC000072212749 385080297 /nfs/dbraw/zinc/08/02/97/385080297.db2.gz PXBWQPCBUIVIIH-CYBMUJFWSA-N 1 2 247.342 2.221 40 0 BEABLO O=CN1CCCC[C@@H]1c1ccc(NC2CC2)[nH+]c1 ZINC000072213811 385082390 /nfs/dbraw/zinc/08/23/90/385082390.db2.gz ZUGBSDUQVKWXNU-CYBMUJFWSA-N 1 2 245.326 2.339 40 0 BEABLO CC(=O)N1CCC[C@@H]1c1ccc[nH+]c1NC1CC1 ZINC000072213711 385083144 /nfs/dbraw/zinc/08/31/44/385083144.db2.gz VYCBIVMAJBTTCR-CYBMUJFWSA-N 1 2 245.326 2.339 40 0 BEABLO Cc1cc([C@H]2CCCCN2C=O)c[nH+]c1N(C)C ZINC000072218653 385101929 /nfs/dbraw/zinc/10/19/29/385101929.db2.gz BAZFTLGFIMVDQY-CYBMUJFWSA-N 1 2 247.342 2.139 40 0 BEABLO O=c1cc(Cn2cc[nH+]c2)c2ccc(F)cc2o1 ZINC000085399433 385167983 /nfs/dbraw/zinc/16/79/83/385167983.db2.gz ANPABESMGCBMRF-UHFFFAOYSA-N 1 2 244.225 2.177 40 0 BEABLO Nc1[nH+]c2c(cc1C(=O)c1ccccc1)CCC2 ZINC000095098414 385492948 /nfs/dbraw/zinc/49/29/48/385492948.db2.gz VOTXBFSKARYFOP-UHFFFAOYSA-N 1 2 238.290 2.384 40 0 BEABLO C/C=C/C(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000245108383 386588009 /nfs/dbraw/zinc/58/80/09/386588009.db2.gz SUPVXWQYSLCMBG-UHFFFAOYSA-N 1 2 246.310 2.028 40 0 BEABLO O=Cc1ccc(C[NH+]2CCSCC2)c(F)c1 ZINC000095738665 387002269 /nfs/dbraw/zinc/00/22/69/387002269.db2.gz PDIUCRHJPCXUTF-UHFFFAOYSA-N 1 2 239.315 2.187 40 0 BEABLO CC(C)(C)OC(=O)N1CC(Nc2cccc[nH+]2)C1 ZINC000083351164 387854747 /nfs/dbraw/zinc/85/47/47/387854747.db2.gz XZFJVJRBBQFVTJ-UHFFFAOYSA-N 1 2 249.314 2.113 40 0 BEABLO Cc1c[nH+]c(Nc2cccnc2)c(N)c1 ZINC000225394924 388678488 /nfs/dbraw/zinc/67/84/88/388678488.db2.gz HAZQNRMVMLENNK-UHFFFAOYSA-N 1 2 200.245 2.111 40 0 BEABLO CC(C)(C)c1n[nH]c([C@@H]([NH3+])c2ccccc2)n1 ZINC000095533459 388776996 /nfs/dbraw/zinc/77/69/96/388776996.db2.gz GKJPWHHNBMDOLA-JTQLQIEISA-N 1 2 230.315 2.150 40 0 BEABLO CC(C)(C)c1nnc([C@@H]([NH3+])c2ccccc2)[nH]1 ZINC000095533459 388776999 /nfs/dbraw/zinc/77/69/99/388776999.db2.gz GKJPWHHNBMDOLA-JTQLQIEISA-N 1 2 230.315 2.150 40 0 BEABLO CC(C)(C)c1nc([C@H]([NH3+])Cc2ccccc2)n[nH]1 ZINC000095534902 388779024 /nfs/dbraw/zinc/77/90/24/388779024.db2.gz ZOYWGKMIZAKMAP-LLVKDONJSA-N 1 2 244.342 2.345 40 0 BEABLO Cc1c[nH]c([C@H]2CCCN2c2cc[nH+]c(C)n2)n1 ZINC000257220867 177642134 /nfs/dbraw/zinc/64/21/34/177642134.db2.gz DMNLVLXVRTWZTK-LLVKDONJSA-N 1 2 243.314 2.158 40 0 BEABLO CNc1cc(N2CCc3ccccc3C2)nc[nH+]1 ZINC000127866908 132231814 /nfs/dbraw/zinc/23/18/14/132231814.db2.gz HYBJPRKBGVJUNV-UHFFFAOYSA-N 1 2 240.310 2.081 40 0 BEABLO CNc1cc(N2CCc3ccccc3C2)[nH+]cn1 ZINC000127866908 132231815 /nfs/dbraw/zinc/23/18/15/132231815.db2.gz HYBJPRKBGVJUNV-UHFFFAOYSA-N 1 2 240.310 2.081 40 0 BEABLO C[NH+](C)CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000004372516 397924628 /nfs/dbraw/zinc/92/46/28/397924628.db2.gz WHXFRZFXDOAEFB-GYSYKLTISA-N 1 2 239.359 2.306 40 0 BEABLO Brc1ccc(-n2cc[nH+]c2)nc1 ZINC000042388715 166097822 /nfs/dbraw/zinc/09/78/22/166097822.db2.gz VDNCHISWKASSIB-UHFFFAOYSA-N 1 2 224.061 2.030 40 0 BEABLO C(=C\c1ccccc1)\C[NH+]1CCOCC1 ZINC000031924611 166227669 /nfs/dbraw/zinc/22/76/69/166227669.db2.gz UDSHBISYNCGDRX-DAXSKMNVSA-N 1 2 203.285 2.032 40 0 BEABLO CC12CCC(CC1)C(C)(C)N[C@@H]([NH3+])S2 ZINC000019319455 168074455 /nfs/dbraw/zinc/07/44/55/168074455.db2.gz UDKIVQHZRWSEDP-INWMGODYSA-N 1 2 214.378 2.293 40 0 BEABLO CC12CCC(CC1)C(C)(C)[NH2+][C@@H](N)S2 ZINC000019319455 168074457 /nfs/dbraw/zinc/07/44/57/168074457.db2.gz UDKIVQHZRWSEDP-INWMGODYSA-N 1 2 214.378 2.293 40 0 BEABLO CCC(=O)Nc1cc(N)ccc1[NH+](CC)CC ZINC000226260473 168243430 /nfs/dbraw/zinc/24/34/30/168243430.db2.gz YARVPHNNWVFVKV-UHFFFAOYSA-N 1 2 235.331 2.464 40 0 BEABLO CCn1c2ccccc2[nH+]c1N1CCC[C@H](O)C1 ZINC000043220226 172146443 /nfs/dbraw/zinc/14/64/43/172146443.db2.gz REMCBOODWHDQSS-NSHDSACASA-N 1 2 245.326 2.017 40 0 BEABLO COc1ccc(-c2[nH]cc[nH+]2)c(OC)c1 ZINC000041212549 175040973 /nfs/dbraw/zinc/04/09/73/175040973.db2.gz SUTSTYNLLVWBPI-UHFFFAOYSA-N 1 2 204.229 2.094 40 0 BEABLO COc1ccc(C)cc1Nc1cc(N)nc(C)[nH+]1 ZINC000049467335 175079244 /nfs/dbraw/zinc/07/92/44/175079244.db2.gz BNVYRTZPSNTVBT-UHFFFAOYSA-N 1 2 244.298 2.428 40 0 BEABLO COc1ccc(OC)c(-c2[nH]cc[nH+]2)c1 ZINC000041212547 175163950 /nfs/dbraw/zinc/16/39/50/175163950.db2.gz GYXVUPKDPDGYQW-UHFFFAOYSA-N 1 2 204.229 2.094 40 0 BEABLO C[C@@H]1C[C@@H]2CC[N@H+](Cc3nccs3)C[C@H]2O1 ZINC000096070657 490360134 /nfs/dbraw/zinc/36/01/34/490360134.db2.gz JQCDZMAPDHVLLS-OUAUKWLOSA-N 1 2 238.356 2.142 40 0 BEABLO C[C@@H]1C[C@@H]2CC[N@@H+](Cc3nccs3)C[C@H]2O1 ZINC000096070657 490360144 /nfs/dbraw/zinc/36/01/44/490360144.db2.gz JQCDZMAPDHVLLS-OUAUKWLOSA-N 1 2 238.356 2.142 40 0 BEABLO CCOC(=[NH2+])c1cc(Br)ccc1N ZINC000228916473 520392415 /nfs/dbraw/zinc/39/24/15/520392415.db2.gz GJXHHOSQSPJNOZ-UHFFFAOYSA-N 1 2 243.104 2.393 40 0 BEABLO C[N@H+](CCO)Cc1c(Cl)cccc1Cl ZINC000049633346 342673349 /nfs/dbraw/zinc/67/33/49/342673349.db2.gz YWJSBUJHKOLHIZ-UHFFFAOYSA-N 1 2 234.126 2.418 40 0 BEABLO C[N@@H+](CCO)Cc1c(Cl)cccc1Cl ZINC000049633346 342673350 /nfs/dbraw/zinc/67/33/50/342673350.db2.gz YWJSBUJHKOLHIZ-UHFFFAOYSA-N 1 2 234.126 2.418 40 0 BEABLO Cc1c[nH+]cc2c(=O)n(-c3ccccc3)n(C)c21 ZINC000001668602 342707803 /nfs/dbraw/zinc/70/78/03/342707803.db2.gz AWIXPNHCBPNIGW-UHFFFAOYSA-N 1 2 239.278 2.033 40 0 BEABLO CN(C)c1ccc([C@H](O)c2ccccc2)c[nH+]1 ZINC000072225145 259321976 /nfs/dbraw/zinc/32/19/76/259321976.db2.gz FRCFRYRYQZHARY-CQSZACIVSA-N 1 2 228.295 2.229 40 0 BEABLO CN(C)c1ccc([C@@H](O)c2ccccc2)c[nH+]1 ZINC000072225146 259321904 /nfs/dbraw/zinc/32/19/04/259321904.db2.gz FRCFRYRYQZHARY-AWEZNQCLSA-N 1 2 228.295 2.229 40 0 BEABLO CN(C)c1[nH+]c2ccc3ncccc3c2n1C ZINC000013282302 342865213 /nfs/dbraw/zinc/86/52/13/342865213.db2.gz YGOGSJACFXSIAO-UHFFFAOYSA-N 1 2 226.283 2.188 40 0 in-vitro BEABLO CCOC(=O)c1c[nH+]c2c(C)cc(F)cc2c1N ZINC000050843159 259371909 /nfs/dbraw/zinc/37/19/09/259371909.db2.gz VVAKEOWHVZMVGW-UHFFFAOYSA-N 1 2 248.257 2.441 40 0 BEABLO Cc1[nH+]c2ccccc2c(C)c1CCO ZINC000085389003 180101834 /nfs/dbraw/zinc/10/18/34/180101834.db2.gz PDKMQIMUGSBBJP-UHFFFAOYSA-N 1 2 201.269 2.386 40 0 BEABLO CSc1nc2cc3[nH+]c(C)[nH]c3cc2[nH]1 ZINC000033373876 350231339 /nfs/dbraw/zinc/23/13/39/350231339.db2.gz SLIBAPGXOKHODI-UHFFFAOYSA-N 1 2 218.285 2.470 40 0 BEABLO Cc1[nH+]cnc(N)c1CCCNc1ccccc1 ZINC000001626866 180290583 /nfs/dbraw/zinc/29/05/83/180290583.db2.gz KXBAYWORVRMNFK-UHFFFAOYSA-N 1 2 242.326 2.412 40 0 BEABLO CCCn1c2ccccc2[nH+]c1NC[C@H](C)O ZINC000000513473 363055091 /nfs/dbraw/zinc/05/50/91/363055091.db2.gz QNRWMNQRVGSCFF-JTQLQIEISA-N 1 2 233.315 2.239 40 0 BEABLO CC(C)(C)c1nc([C@@H]2CCCC[NH2+]2)no1 ZINC000040443330 363145177 /nfs/dbraw/zinc/14/51/77/363145177.db2.gz PFQFVDKAGUJFEJ-QMMMGPOBSA-N 1 2 209.293 2.182 40 0 BEABLO C1CC(c2nc([C@H]3CCCC[NH2+]3)no2)C1 ZINC000040443510 357332869 /nfs/dbraw/zinc/33/28/69/357332869.db2.gz DSEVMBDJOHDLBY-SECBINFHSA-N 1 2 207.277 2.152 40 0 BEABLO Cc1cc(Cl)nc([C@@H]2CCC[N@H+]2C)n1 ZINC000205697163 368358279 /nfs/dbraw/zinc/35/82/79/368358279.db2.gz MBGCENZKNUKUCY-QMMMGPOBSA-N 1 2 211.696 2.205 40 0 BEABLO Cc1cc(Cl)nc([C@@H]2CCC[N@@H+]2C)n1 ZINC000205697163 368358283 /nfs/dbraw/zinc/35/82/83/368358283.db2.gz MBGCENZKNUKUCY-QMMMGPOBSA-N 1 2 211.696 2.205 40 0 BEABLO [NH3+][C@@H](C(=O)OC1CCCC1)c1ccccc1 ZINC000048632256 181538340 /nfs/dbraw/zinc/53/83/40/181538340.db2.gz WXGVMWCVLJRTIC-GFCCVEGCSA-N 1 2 219.284 2.172 40 0 BEABLO CC[NH+]1CCN(Cc2ccc(S)cc2)CC1 ZINC000095738734 371338478 /nfs/dbraw/zinc/33/84/78/371338478.db2.gz HHLKCJPUYZAYGB-UHFFFAOYSA-N 1 2 236.384 2.113 40 0 BEABLO OC[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000040434240 183118812 /nfs/dbraw/zinc/11/88/12/183118812.db2.gz HGGAHSWPGYBJKS-MRVPVSSYSA-N 1 2 246.763 2.001 40 0 BEABLO OC[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000040434240 183118813 /nfs/dbraw/zinc/11/88/13/183118813.db2.gz HGGAHSWPGYBJKS-MRVPVSSYSA-N 1 2 246.763 2.001 40 0 BEABLO c1cc([C@@H]2CCC[N@H+]2Cc2ccncc2)n[nH]1 ZINC000072187779 183341784 /nfs/dbraw/zinc/34/17/84/183341784.db2.gz RRRRSFDVDUIIRA-ZDUSSCGKSA-N 1 2 228.299 2.142 40 0 BEABLO c1cc([C@@H]2CCC[N@@H+]2Cc2ccncc2)n[nH]1 ZINC000072187779 183341786 /nfs/dbraw/zinc/34/17/86/183341786.db2.gz RRRRSFDVDUIIRA-ZDUSSCGKSA-N 1 2 228.299 2.142 40 0 BEABLO c1csc(Nc2nccc([C@@H]3CCC[NH2+]3)n2)n1 ZINC000072376739 183359487 /nfs/dbraw/zinc/35/94/87/183359487.db2.gz RLCXDZNOCWUVQK-QMMMGPOBSA-N 1 2 247.327 2.101 40 0 BEABLO c1cc(C[NH+]2CCOCC2)n(-c2ccccc2)c1 ZINC000226033285 183385979 /nfs/dbraw/zinc/38/59/79/183385979.db2.gz DQMIHVKIONMMCZ-UHFFFAOYSA-N 1 2 242.322 2.310 40 0 BEABLO CCCNC(=O)c1cc(N)ccc1[NH+](CC)CC ZINC000225483940 169250444 /nfs/dbraw/zinc/25/04/44/169250444.db2.gz VEAIOGXVYZKFIF-UHFFFAOYSA-N 1 2 249.358 2.255 40 0 BEABLO C[C@H](NC1=[NH+]CCO1)c1ccccc1Cl ZINC000001639494 383914249 /nfs/dbraw/zinc/91/42/49/383914249.db2.gz HGHUIMUBLYEQDT-QMMMGPOBSA-N 1 2 224.691 2.377 40 0 BEABLO c1csc(Nc2nccc([C@H]3CCC[NH2+]3)n2)n1 ZINC000072376740 384034195 /nfs/dbraw/zinc/03/41/95/384034195.db2.gz RLCXDZNOCWUVQK-MRVPVSSYSA-N 1 2 247.327 2.101 40 0 BEABLO C[NH+](C)c1cc2c3c(c1)CCCN3CCC2 ZINC000104141948 384803835 /nfs/dbraw/zinc/80/38/35/384803835.db2.gz BRXWOGNWFNEIHT-UHFFFAOYSA-N 1 2 216.328 2.451 40 0 BEABLO CN(C)c1cc2c3c(c1)CCC[NH+]3CCC2 ZINC000104141948 384803846 /nfs/dbraw/zinc/80/38/46/384803846.db2.gz BRXWOGNWFNEIHT-UHFFFAOYSA-N 1 2 216.328 2.451 40 0 BEABLO CCN(C)c1[nH+]cccc1[C@@H]1CCCCN1C=O ZINC000072212808 385078737 /nfs/dbraw/zinc/07/87/37/385078737.db2.gz UXTZTDNQEHCKAE-ZDUSSCGKSA-N 1 2 247.342 2.221 40 0 BEABLO CC(=O)N1CCCC[C@@H]1c1ccc(N(C)C)[nH+]c1 ZINC000072212630 385080056 /nfs/dbraw/zinc/08/00/56/385080056.db2.gz SCQLRCKTBMZFBX-CYBMUJFWSA-N 1 2 247.342 2.221 40 0 BEABLO O=CN1CCCC[C@H]1c1ccc(NC2CC2)[nH+]c1 ZINC000072213810 385081887 /nfs/dbraw/zinc/08/18/87/385081887.db2.gz ZUGBSDUQVKWXNU-ZDUSSCGKSA-N 1 2 245.326 2.339 40 0 BEABLO CC[C@@H](O)c1c[nH+]c(N2CCCC2)c(C)c1 ZINC000072222437 385110420 /nfs/dbraw/zinc/11/04/20/385110420.db2.gz QMFFZEKMFKOEMD-GFCCVEGCSA-N 1 2 220.316 2.434 40 0 BEABLO CN(Cc1ccccc1)c1ccc(CCO)c[nH+]1 ZINC000072225381 385114812 /nfs/dbraw/zinc/11/48/12/385114812.db2.gz ZWIGTCUOVAZODH-UHFFFAOYSA-N 1 2 242.322 2.253 40 0 BEABLO CC(=O)N1CCC[C@@H]1c1c[nH+]c(N(C)C)c(C)c1 ZINC000072218614 385100818 /nfs/dbraw/zinc/10/08/18/385100818.db2.gz XDEJSNXRFFOUDJ-CYBMUJFWSA-N 1 2 247.342 2.139 40 0 BEABLO Cc1cc[nH]c1C(=O)NCc1c[nH+]c(C)cc1C ZINC000335057637 385958742 /nfs/dbraw/zinc/95/87/42/385958742.db2.gz KJVFIIVNPFXORC-UHFFFAOYSA-N 1 2 243.310 2.265 40 0 BEABLO CC[C@H]1CSC2=[NH+][C@H](c3ccccn3)CN21 ZINC000222639437 386058641 /nfs/dbraw/zinc/05/86/41/386058641.db2.gz UYNCEWGAJVXHGO-ONGXEEELSA-N 1 2 233.340 2.320 40 0 BEABLO COc1ccccc1Nc1cc(N)nc(C)[nH+]1 ZINC000049467327 175339925 /nfs/dbraw/zinc/33/99/25/175339925.db2.gz JAFVKKPSDFANEK-UHFFFAOYSA-N 1 2 230.271 2.119 40 0 BEABLO C[C@@H]1CCC(=O)C[N@@H+]1Cc1ccccc1 ZINC000001582181 176061282 /nfs/dbraw/zinc/06/12/82/176061282.db2.gz KZOQTVBEJPFESD-LLVKDONJSA-N 1 2 203.285 2.240 40 0 BEABLO C[C@@H]1CCC(=O)C[N@H+]1Cc1ccccc1 ZINC000001582181 176061284 /nfs/dbraw/zinc/06/12/84/176061284.db2.gz KZOQTVBEJPFESD-LLVKDONJSA-N 1 2 203.285 2.240 40 0 BEABLO CCC(=O)c1ccc(N(C)CC)[nH+]c1C ZINC000072224275 262722446 /nfs/dbraw/zinc/72/24/46/262722446.db2.gz QKDPFWLBXFXNSF-UHFFFAOYSA-N 1 2 206.289 2.439 40 0 BEABLO Nc1ccc2[nH]c(-c3cc(N)ccc3O)[nH+]c2c1 ZINC000004692947 342750784 /nfs/dbraw/zinc/75/07/84/342750784.db2.gz RFOKTXSUDDYMSS-UHFFFAOYSA-N 1 2 240.266 2.100 40 0 BEABLO Cc1cc(CO)c[nH+]c1NCc1ccccc1 ZINC000072222322 259320400 /nfs/dbraw/zinc/32/04/00/259320400.db2.gz ZEVYWQPVGXHJMU-UHFFFAOYSA-N 1 2 228.295 2.494 40 0 BEABLO C/C=C(\c1ccccc1)[NH+]1CCOCC1 ZINC000017023744 342919356 /nfs/dbraw/zinc/91/93/56/342919356.db2.gz HTJIRDFVGHHLMZ-XNJYKOPJSA-N 1 2 203.285 2.380 40 0 BEABLO Fc1ccc([C@]23CCCN2CCC[NH2+]3)cc1 ZINC000019329208 342945945 /nfs/dbraw/zinc/94/59/45/342945945.db2.gz IBGMNLQEZMKMKB-ZDUSSCGKSA-N 1 2 220.291 2.068 40 0 BEABLO Nc1nc(N2CCCC2)[nH+]cc1-c1ccccc1 ZINC000022126426 343040737 /nfs/dbraw/zinc/04/07/37/343040737.db2.gz BXNYTNHMBJVQNZ-UHFFFAOYSA-N 1 2 240.310 2.326 40 0 BEABLO Cc1[nH+]cc(Cl)c(N)c1Br ZINC000095949985 180162357 /nfs/dbraw/zinc/16/23/57/180162357.db2.gz RSJJVGRGBLDWML-UHFFFAOYSA-N 1 2 221.485 2.388 40 0 BEABLO C[C@@H]1C[C@H](c2ccccc2)C(=O)C[N@@H+]1C ZINC000004692450 191121206 /nfs/dbraw/zinc/12/12/06/191121206.db2.gz YFDVANILCDHZCK-ZYHUDNBSSA-N 1 2 203.285 2.063 40 0 BEABLO C[C@@H]1C[C@H](c2ccccc2)C(=O)C[N@H+]1C ZINC000004692450 191121207 /nfs/dbraw/zinc/12/12/07/191121207.db2.gz YFDVANILCDHZCK-ZYHUDNBSSA-N 1 2 203.285 2.063 40 0 BEABLO Nc1cc(C2(C(F)(F)F)CC2)cc[nH+]1 ZINC000256050226 351032754 /nfs/dbraw/zinc/03/27/54/351032754.db2.gz DFXJTZAICCGXAO-UHFFFAOYSA-N 1 2 202.179 2.258 40 0 BEABLO Cc1cc(N(C)C)[nH+]c2c(O)cccc12 ZINC000257812197 538767046 /nfs/dbraw/zinc/76/70/46/538767046.db2.gz AIGUHQPTILCPTA-UHFFFAOYSA-N 1 2 202.257 2.315 40 0 BEABLO CC[NH+]1CCN(Cc2cccc(S)c2)CC1 ZINC000095738736 371338655 /nfs/dbraw/zinc/33/86/55/371338655.db2.gz FZWMTFPQWQDREL-UHFFFAOYSA-N 1 2 236.384 2.113 40 0 BEABLO OCC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000072203705 183041575 /nfs/dbraw/zinc/04/15/75/183041575.db2.gz QKPWKPPCODVOJF-UHFFFAOYSA-N 1 2 246.763 2.001 40 0 BEABLO Cc1cc[nH+]c(NC=Cc2cccc[n+]2[O-])c1 ZINC000017429428 384489828 /nfs/dbraw/zinc/48/98/28/384489828.db2.gz VYAAPVXSCNPLCW-SOFGYWHQSA-N 1 2 227.267 2.106 40 0 BEABLO CC(C)[C@@H]([NH3+])c1nnc(COc2ccccc2)[nH]1 ZINC000095534699 385046975 /nfs/dbraw/zinc/04/69/75/385046975.db2.gz FXSPSYILNYACKF-GFCCVEGCSA-N 1 2 246.314 2.040 40 0 BEABLO COc1ccc(C2=[NH+]CCCC2)c(C)n1 ZINC000072218087 385089357 /nfs/dbraw/zinc/08/93/57/385089357.db2.gz WBBGKBRQYXNMTK-UHFFFAOYSA-N 1 2 204.273 2.372 40 0 BEABLO CCNc1[nH+]cc(C(F)(F)F)cc1N ZINC000095096669 385262590 /nfs/dbraw/zinc/26/25/90/385262590.db2.gz HHOPQWNVQNSNPD-UHFFFAOYSA-N 1 2 205.183 2.114 40 0 BEABLO CCc1ccc([C@@H]2NC(=O)C3CC[NH+]2CC3)cc1 ZINC000223813763 386103088 /nfs/dbraw/zinc/10/30/88/386103088.db2.gz GDBZHVPRZWZXHQ-CQSZACIVSA-N 1 2 244.338 2.089 40 0 BEABLO CC12CCC(CC1)C(C)(C)N[C@H]([NH3+])S2 ZINC000019319992 168073741 /nfs/dbraw/zinc/07/37/41/168073741.db2.gz UDKIVQHZRWSEDP-YUCVTWSNSA-N 1 2 214.378 2.293 40 0 BEABLO CC12CCC(CC1)C(C)(C)[NH2+][C@H](N)S2 ZINC000019319992 168073743 /nfs/dbraw/zinc/07/37/43/168073743.db2.gz UDKIVQHZRWSEDP-YUCVTWSNSA-N 1 2 214.378 2.293 40 0 BEABLO CC[C@@H](C)NC(=S)Nc1cc[nH+]cc1 ZINC000225178052 170749640 /nfs/dbraw/zinc/74/96/40/170749640.db2.gz VYDFUGXHDVBHOR-MRVPVSSYSA-N 1 2 209.318 2.167 40 0 BEABLO COc1ccc(OC)c(-c2c[nH]c[nH+]2)c1 ZINC000041212568 175163543 /nfs/dbraw/zinc/16/35/43/175163543.db2.gz PEISARQXJVCNNF-UHFFFAOYSA-N 1 2 204.229 2.094 40 0 BEABLO COc1ccccc1[C@@H]([NH3+])c1noc(C2CC2)n1 ZINC000036764089 175346971 /nfs/dbraw/zinc/34/69/71/175346971.db2.gz VRFCIKMILFCJFH-LLVKDONJSA-N 1 2 245.282 2.004 40 0 BEABLO C[C@@H]1CC[NH2+][C@@H](C(=O)OCc2ccccc2)C1 ZINC000034017461 176186420 /nfs/dbraw/zinc/18/64/20/176186420.db2.gz MEVXXXMYNKWKDQ-DGCLKSJQSA-N 1 2 233.311 2.118 40 0 BEABLO C[C@H]1CN2C(=[NH+][C@H](c3ccccn3)[C@@H]2C)S1 ZINC000222556039 177279068 /nfs/dbraw/zinc/27/90/68/177279068.db2.gz OJCJSJJNJMHORN-QXEWZRGKSA-N 1 2 233.340 2.318 40 0 BEABLO C[C@H]1C[C@@H]2CC[N@H+](Cc3nccs3)C[C@H]2O1 ZINC000096062529 177352817 /nfs/dbraw/zinc/35/28/17/177352817.db2.gz JQCDZMAPDHVLLS-GARJFASQSA-N 1 2 238.356 2.142 40 0 BEABLO C[C@H]1C[C@@H]2CC[N@@H+](Cc3nccs3)C[C@H]2O1 ZINC000096062529 177352820 /nfs/dbraw/zinc/35/28/20/177352820.db2.gz JQCDZMAPDHVLLS-GARJFASQSA-N 1 2 238.356 2.142 40 0 BEABLO C[C@@H]1CN2C(=[NH+][C@H](c3ccccn3)[C@H]2C)S1 ZINC000260774959 323127645 /nfs/dbraw/zinc/12/76/45/323127645.db2.gz OJCJSJJNJMHORN-KKZNHRDASA-N 1 2 233.340 2.318 40 0 BEABLO Cc1cc(C[NH2+]Cc2ccc(F)s2)nn1C ZINC000256052892 178027325 /nfs/dbraw/zinc/02/73/25/178027325.db2.gz PBRKISTUPSDWIH-UHFFFAOYSA-N 1 2 239.319 2.219 40 0 BEABLO CC[C@H](O)c1c[nH+]c(N(C)CC)c(C)c1 ZINC000072222200 259320126 /nfs/dbraw/zinc/32/01/26/259320126.db2.gz JAIWVIQOINHHPB-NSHDSACASA-N 1 2 208.305 2.290 40 0 BEABLO CC[C@@H](O)c1c[nH+]c(NC2CC2)c(C)c1 ZINC000072222769 259320933 /nfs/dbraw/zinc/32/09/33/259320933.db2.gz KKPFBEUGHAEZEJ-LLVKDONJSA-N 1 2 206.289 2.408 40 0 BEABLO CNc1ccc([C@@H](O)c2ccccc2)c[nH+]1 ZINC000072225109 259321654 /nfs/dbraw/zinc/32/16/54/259321654.db2.gz AOVLNSRJRNCEGA-ZDUSSCGKSA-N 1 2 214.268 2.205 40 0 BEABLO COC(=O)Cc1ccc2[nH]c(C(C)C)[nH+]c2c1 ZINC000076211297 398303914 /nfs/dbraw/zinc/30/39/14/398303914.db2.gz CNUPRWUULFCUBS-UHFFFAOYSA-N 1 2 232.283 2.402 40 0 BEABLO COC(=O)Cc1ccc2[nH+]c(C(C)C)[nH]c2c1 ZINC000076211297 398303917 /nfs/dbraw/zinc/30/39/17/398303917.db2.gz CNUPRWUULFCUBS-UHFFFAOYSA-N 1 2 232.283 2.402 40 0 BEABLO CCCCCO/C=C\C[NH+]1CCOCC1 ZINC000016891954 342916506 /nfs/dbraw/zinc/91/65/06/342916506.db2.gz DLGWOOVMZICLKI-YHYXMXQVSA-N 1 2 213.321 2.039 40 0 BEABLO Cc1ccc2[nH]c(N3CCCC3)[nH+]c2c1 ZINC000000226437 345421361 /nfs/dbraw/zinc/42/13/61/345421361.db2.gz YDXGSLFQTXMECW-UHFFFAOYSA-N 1 2 201.273 2.472 40 0 BEABLO Cc1ccc2[nH+]c(N3CCCC3)[nH]c2c1 ZINC000000226437 345421362 /nfs/dbraw/zinc/42/13/62/345421362.db2.gz YDXGSLFQTXMECW-UHFFFAOYSA-N 1 2 201.273 2.472 40 0 BEABLO c1cc([C@H]2CC[N@@H+](Cc3ccsc3)C2)[nH]n1 ZINC000205688206 348575453 /nfs/dbraw/zinc/57/54/53/348575453.db2.gz MPLYQCLZURYFKK-NSHDSACASA-N 1 2 233.340 2.461 40 0 BEABLO c1cc([C@H]2CC[N@H+](Cc3ccsc3)C2)[nH]n1 ZINC000205688206 348575454 /nfs/dbraw/zinc/57/54/54/348575454.db2.gz MPLYQCLZURYFKK-NSHDSACASA-N 1 2 233.340 2.461 40 0 BEABLO Cc1nc2[nH]ccc2c(N[C@@H]2CCSC2)[nH+]1 ZINC000328613680 180023389 /nfs/dbraw/zinc/02/33/89/180023389.db2.gz QNWXKCXQANBXIY-MRVPVSSYSA-N 1 2 234.328 2.184 40 0 BEABLO Cc1cc(N2CCOCC2)[nH+]c2c(O)cccc12 ZINC000257820316 538768046 /nfs/dbraw/zinc/76/80/46/538768046.db2.gz APWFYZVVDPAECL-UHFFFAOYSA-N 1 2 244.294 2.085 40 0 BEABLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)C1CC1 ZINC000074829946 182351907 /nfs/dbraw/zinc/35/19/07/182351907.db2.gz DWUJBVCHEFYQMO-UHFFFAOYSA-N 1 2 227.267 2.425 40 0 BEABLO CCCCn1cccc1C[NH+]1CCOCC1 ZINC000225309589 169037031 /nfs/dbraw/zinc/03/70/31/169037031.db2.gz DSQYMHFQLGITRL-UHFFFAOYSA-N 1 2 222.332 2.120 40 0 BEABLO c1ccc([C@H](NC2=[NH+]CCO2)C2CC2)cc1 ZINC000001639245 383916071 /nfs/dbraw/zinc/91/60/71/383916071.db2.gz RSESMLXPRYZMST-LBPRGKRZSA-N 1 2 216.284 2.114 40 0 BEABLO Clc1ncc(Br)n2c[nH+]cc12 ZINC000089195424 383941219 /nfs/dbraw/zinc/94/12/19/383941219.db2.gz ZXAOZDUZOLCLGD-UHFFFAOYSA-N 1 2 232.468 2.145 40 0 BEABLO NNc1[nH+]ccnc1Oc1ccccc1Cl ZINC000070451479 384107903 /nfs/dbraw/zinc/10/79/03/384107903.db2.gz ZRGQVMPOFXNJGB-UHFFFAOYSA-N 1 2 236.662 2.208 40 0 BEABLO O=C1NCCNc2c3cc(Cl)ccc3[nH+]cc21 ZINC000053994738 384816188 /nfs/dbraw/zinc/81/61/88/384816188.db2.gz VVHUCKAKFSSESV-UHFFFAOYSA-N 1 2 247.685 2.044 40 0 BEABLO CNc1[nH+]cccc1[C@@H]1CCCCN1C(C)=O ZINC000072212571 385075065 /nfs/dbraw/zinc/07/50/65/385075065.db2.gz HMWSAJONKGMWPV-LBPRGKRZSA-N 1 2 233.315 2.197 40 0 BEABLO CCN(C)c1ccc([C@@H]2CCCN2C(C)=O)c[nH+]1 ZINC000072212709 385079236 /nfs/dbraw/zinc/07/92/36/385079236.db2.gz YJHQLQCLPSMEML-ZDUSSCGKSA-N 1 2 247.342 2.221 40 0 BEABLO Cc1cccc(-c2n[nH]c([C@H]([NH3+])C(C)C)n2)c1 ZINC000095534786 385045418 /nfs/dbraw/zinc/04/54/18/385045418.db2.gz BSTBVHUPGWFVHB-LLVKDONJSA-N 1 2 230.315 2.436 40 0 BEABLO Cc1cccc(-c2n[nH]c([C@@H]([NH3+])C(C)C)n2)c1 ZINC000095534787 385046881 /nfs/dbraw/zinc/04/68/81/385046881.db2.gz BSTBVHUPGWFVHB-NSHDSACASA-N 1 2 230.315 2.436 40 0 BEABLO CC(C)CCNC(=S)Nc1cc[nH+]cc1 ZINC000225178657 386175289 /nfs/dbraw/zinc/17/52/89/386175289.db2.gz LEXMROIXOAEHPS-UHFFFAOYSA-N 1 2 223.345 2.414 40 0 BEABLO Cc1cccc(-c2nc(NCCO)cc(C)[nH+]2)c1 ZINC000225325742 386185481 /nfs/dbraw/zinc/18/54/81/386185481.db2.gz CPCIYEFQMBCGJP-UHFFFAOYSA-N 1 2 243.310 2.165 40 0 BEABLO Cc1ccc([C@H]([NH3+])c2nc(C(C)(C)C)n[nH]2)cc1 ZINC000095534160 388777793 /nfs/dbraw/zinc/77/77/93/388777793.db2.gz NVGQFMUAZVVRDI-NSHDSACASA-N 1 2 244.342 2.459 40 0 BEABLO Cc1ccc([C@H]([NH3+])c2nnc(C(C)(C)C)[nH]2)cc1 ZINC000095534160 388777798 /nfs/dbraw/zinc/77/77/98/388777798.db2.gz NVGQFMUAZVVRDI-NSHDSACASA-N 1 2 244.342 2.459 40 0 BEABLO CNc1ccc([N@@H+]2CCCC[C@@H]2C)c(C(N)=O)c1 ZINC000226279567 132291494 /nfs/dbraw/zinc/29/14/94/132291494.db2.gz YXRJRRPSHKBKCX-JTQLQIEISA-N 1 2 247.342 2.206 40 0 BEABLO CNc1ccc([N@H+]2CCCC[C@@H]2C)c(C(N)=O)c1 ZINC000226279567 132291496 /nfs/dbraw/zinc/29/14/96/132291496.db2.gz YXRJRRPSHKBKCX-JTQLQIEISA-N 1 2 247.342 2.206 40 0 BEABLO CCn1c2ccccc2[nH+]c1N1CCC[C@@H](O)C1 ZINC000043220227 172146652 /nfs/dbraw/zinc/14/66/52/172146652.db2.gz REMCBOODWHDQSS-LLVKDONJSA-N 1 2 245.326 2.017 40 0 BEABLO COc1cc2[nH+]ccn2cc1Br ZINC000238407343 175028250 /nfs/dbraw/zinc/02/82/50/175028250.db2.gz QWYPPWSJICTEMU-UHFFFAOYSA-N 1 2 227.061 2.105 40 0 BEABLO COc1ccc(Cl)c2c(N)cc[nH+]c12 ZINC000036075601 175118443 /nfs/dbraw/zinc/11/84/43/175118443.db2.gz KWKJFSCVGSCNRP-UHFFFAOYSA-N 1 2 208.648 2.479 40 0 BEABLO COc1ccccc1Nc1[nH+]cccc1N ZINC000020317726 175339961 /nfs/dbraw/zinc/33/99/61/175339961.db2.gz JOIVDWPFYJWWBX-UHFFFAOYSA-N 1 2 215.256 2.416 40 0 BEABLO Cc1[nH+]c(N)ccc1C(=O)c1ccccc1 ZINC000072224121 262722443 /nfs/dbraw/zinc/72/24/43/262722443.db2.gz WSEBMKIGCOCUFW-UHFFFAOYSA-N 1 2 212.252 2.203 40 0 BEABLO C[C@H]1C[C@H](c2ccccc2)C(=O)C[N@@H+]1C ZINC000001577593 342704138 /nfs/dbraw/zinc/70/41/38/342704138.db2.gz YFDVANILCDHZCK-CMPLNLGQSA-N 1 2 203.285 2.063 40 0 BEABLO C[C@H]1C[C@H](c2ccccc2)C(=O)C[N@H+]1C ZINC000001577593 342704140 /nfs/dbraw/zinc/70/41/40/342704140.db2.gz YFDVANILCDHZCK-CMPLNLGQSA-N 1 2 203.285 2.063 40 0 BEABLO CC[C@H]1C[N@@H+]1CCC(=O)Nc1ccccc1 ZINC000001623515 342706163 /nfs/dbraw/zinc/70/61/63/342706163.db2.gz OGENXPMAUQAXEF-SFVWDYPZSA-N 1 2 218.300 2.109 40 0 BEABLO CC[C@H]1C[N@H+]1CCC(=O)Nc1ccccc1 ZINC000001623515 342706164 /nfs/dbraw/zinc/70/61/64/342706164.db2.gz OGENXPMAUQAXEF-SFVWDYPZSA-N 1 2 218.300 2.109 40 0 BEABLO CCc1c(N)nc(N)[nH+]c1Nc1ccccc1C ZINC000001689171 342709249 /nfs/dbraw/zinc/70/92/49/342709249.db2.gz CXTYFMLTUFXZNG-UHFFFAOYSA-N 1 2 243.314 2.255 40 0 BEABLO O=CN1CCC[C@H]1c1ccc(NC2CCC2)[nH+]c1 ZINC000072213825 259318342 /nfs/dbraw/zinc/31/83/42/259318342.db2.gz PHQCUSXHQXWHAB-ZDUSSCGKSA-N 1 2 245.326 2.339 40 0 BEABLO c1csc([C@@H](NC2=[NH+]CCO2)C2CC2)c1 ZINC000003607565 342734906 /nfs/dbraw/zinc/73/49/06/342734906.db2.gz VJHWETIJMQYHCX-JTQLQIEISA-N 1 2 222.313 2.175 40 0 BEABLO OCCc1ccc(Nc2ccccc2)[nH+]c1 ZINC000072225315 259322395 /nfs/dbraw/zinc/32/23/95/259322395.db2.gz GTEWSALBBJHCGE-UHFFFAOYSA-N 1 2 214.268 2.360 40 0 BEABLO COC(=O)[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000035629899 343300732 /nfs/dbraw/zinc/30/07/32/343300732.db2.gz MQVMYVLIKSGCBH-QMMMGPOBSA-N 1 2 234.082 2.166 40 0 BEABLO CC(C)n1c2ccccc2[nH+]c1NCCCO ZINC000006855765 345434320 /nfs/dbraw/zinc/43/43/20/345434320.db2.gz WOCKZRQNWLGXKU-UHFFFAOYSA-N 1 2 233.315 2.412 40 0 BEABLO Cc1cccc(C[C@@H](O)c2ccc(C=O)cc2)[nH+]1 ZINC000005579683 179104921 /nfs/dbraw/zinc/10/49/21/179104921.db2.gz FDRZXZLLXDEEJC-OAHLLOKOSA-N 1 2 241.290 2.479 40 0 BEABLO CCCn1c2ccccc2[nH+]c1NC[C@@H](C)O ZINC000000513472 363055273 /nfs/dbraw/zinc/05/52/73/363055273.db2.gz QNRWMNQRVGSCFF-SNVBAGLBSA-N 1 2 233.315 2.239 40 0 BEABLO CCC[C@H]([NH2+]Cc1ccccc1)C(=O)OC ZINC000037952626 363181130 /nfs/dbraw/zinc/18/11/30/363181130.db2.gz GGANWAJBECTELO-LBPRGKRZSA-N 1 2 221.300 2.118 40 0 BEABLO Cn1c[nH+]cc1C(F)(F)C(F)(F)F ZINC000169798922 188161985 /nfs/dbraw/zinc/16/19/85/188161985.db2.gz LDESSZQBDWYHCZ-UHFFFAOYSA-N 1 2 200.110 2.074 40 0 BEABLO COc1ccccc1-n1c[nH+]c(C)c1C ZINC000225793312 259542358 /nfs/dbraw/zinc/54/23/58/259542358.db2.gz SSDGWHBCLXIYIY-UHFFFAOYSA-N 1 2 202.257 2.498 40 0 BEABLO OCc1ccc(NCc2ccccc2)[nH+]c1 ZINC000072225341 183166343 /nfs/dbraw/zinc/16/63/43/183166343.db2.gz JBXFJOULOCIQKW-UHFFFAOYSA-N 1 2 214.268 2.186 40 0 BEABLO c1sc(-c2ccccc2)nc1[C@@H]1COCC[NH2+]1 ZINC000096218003 183383258 /nfs/dbraw/zinc/38/32/58/183383258.db2.gz POWSRGMOUDDVFR-NSHDSACASA-N 1 2 246.335 2.471 40 0 BEABLO CCCNC(=O)c1cc(N)ccc1[NH+]1CCCC1 ZINC000035192723 169250806 /nfs/dbraw/zinc/25/08/06/169250806.db2.gz RMKIBHQSGOKMHC-UHFFFAOYSA-N 1 2 247.342 2.009 40 0 BEABLO C[NH+](C)Cc1ccc(Cl)nc1Cl ZINC000090413131 384047764 /nfs/dbraw/zinc/04/77/64/384047764.db2.gz QRWKTDIHROBTSG-UHFFFAOYSA-N 1 2 205.088 2.450 40 0 BEABLO CCc1cc([NH3+])ccc1N1C[C@H](C)O[C@@H](C)C1 ZINC000226315817 384972701 /nfs/dbraw/zinc/97/27/01/384972701.db2.gz RYQXNSFJTNQCGL-QWRGUYRKSA-N 1 2 234.343 2.445 40 0 BEABLO Cc1cc([NH3+])ccc1N1C[C@H](C)O[C@@H](C)C1 ZINC000036950049 384978262 /nfs/dbraw/zinc/97/82/62/384978262.db2.gz MCSWCGYAZDDPED-QWRGUYRKSA-N 1 2 220.316 2.191 40 0 BEABLO CCNc1ccc([C@@H]2CCCN2C(C)=O)c[nH+]1 ZINC000072213067 385079991 /nfs/dbraw/zinc/07/99/91/385079991.db2.gz QDMZQOKCAQKVKU-LBPRGKRZSA-N 1 2 233.315 2.197 40 0 BEABLO CC[C@@H](O)c1ccc(N2CCCC2)[nH+]c1 ZINC000072225431 385118688 /nfs/dbraw/zinc/11/86/88/385118688.db2.gz VVRSJRZPMBOKBO-LLVKDONJSA-N 1 2 206.289 2.125 40 0 BEABLO Cc1n[nH]c(C)c1CNc1cccc[nH+]1 ZINC000072226477 385124808 /nfs/dbraw/zinc/12/48/08/385124808.db2.gz WISVEXZKRMJITJ-UHFFFAOYSA-N 1 2 202.261 2.034 40 0 BEABLO CCNC(=O)c1cc(N)ccc1[NH+]1CCCCC1 ZINC000225485479 386197471 /nfs/dbraw/zinc/19/74/71/386197471.db2.gz SKJWWWYQGXEWHD-UHFFFAOYSA-N 1 2 247.342 2.009 40 0 BEABLO Cc1noc(C[N@@H+]2CCC[C@H]2c2cccnc2)n1 ZINC000328681978 386609285 /nfs/dbraw/zinc/60/92/85/386609285.db2.gz VIZCCXNIUAHHFZ-LBPRGKRZSA-N 1 2 244.298 2.110 40 0 BEABLO Cc1noc(C[N@H+]2CCC[C@H]2c2cccnc2)n1 ZINC000328681978 386609289 /nfs/dbraw/zinc/60/92/89/386609289.db2.gz VIZCCXNIUAHHFZ-LBPRGKRZSA-N 1 2 244.298 2.110 40 0 BEABLO CO[C@H](C)C[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000336029876 387010088 /nfs/dbraw/zinc/01/00/88/387010088.db2.gz BXDXPCKOGXSDRO-GFCCVEGCSA-N 1 2 244.338 2.492 40 0 BEABLO CO[C@H](C)C[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000336029876 387010090 /nfs/dbraw/zinc/01/00/90/387010090.db2.gz BXDXPCKOGXSDRO-GFCCVEGCSA-N 1 2 244.338 2.492 40 0 BEABLO CCn1nc(C2=[NH+]CCN2)c2cc(Cl)ccc21 ZINC000575441136 387137859 /nfs/dbraw/zinc/13/78/59/387137859.db2.gz FYJOYCOODFXNBT-UHFFFAOYSA-N 1 2 248.717 2.059 40 0 BEABLO CCCn1ccc(C[NH2+]Cc2cccc(O)c2)n1 ZINC000256052012 387860843 /nfs/dbraw/zinc/86/08/43/387860843.db2.gz LNQLDQGOPWDARG-UHFFFAOYSA-N 1 2 245.326 2.289 40 0 BEABLO CC(C)(C)c1n[nH]c([C@@H]([NH3+])c2ccc(F)cc2)n1 ZINC000095533327 388777333 /nfs/dbraw/zinc/77/73/33/388777333.db2.gz XTQBKMFOKBQBDT-JTQLQIEISA-N 1 2 248.305 2.289 40 0 BEABLO CC(C)(C)c1nnc([C@@H]([NH3+])c2ccc(F)cc2)[nH]1 ZINC000095533327 388777335 /nfs/dbraw/zinc/77/73/35/388777335.db2.gz XTQBKMFOKBQBDT-JTQLQIEISA-N 1 2 248.305 2.289 40 0 BEABLO Brc1cc[nH+]c2c1CCCN2 ZINC000095764035 166102940 /nfs/dbraw/zinc/10/29/40/166102940.db2.gz CYTUKWQXFDIKLS-UHFFFAOYSA-N 1 2 213.078 2.202 40 0 BEABLO CC[C@@H]1CSC2=[NH+][C@H](c3ccccn3)CN21 ZINC000222639366 171114809 /nfs/dbraw/zinc/11/48/09/171114809.db2.gz UYNCEWGAJVXHGO-KOLCDFICSA-N 1 2 233.340 2.320 40 0 BEABLO CCn1c2ccccc2[nH+]c1N1CCC(O)CC1 ZINC000043220225 172146052 /nfs/dbraw/zinc/14/60/52/172146052.db2.gz VJHLUMACSLMKET-UHFFFAOYSA-N 1 2 245.326 2.017 40 0 BEABLO COc1ccc2[nH+]cc(Br)n2c1 ZINC000076914410 175229815 /nfs/dbraw/zinc/22/98/15/175229815.db2.gz KPIKGTJSQIUIKZ-UHFFFAOYSA-N 1 2 227.061 2.105 40 0 BEABLO Cc1ccc(C(=O)C[NH+]2CCCCC2)o1 ZINC000015083494 178373890 /nfs/dbraw/zinc/37/38/90/178373890.db2.gz VCWZXBXILSFBLR-UHFFFAOYSA-N 1 2 207.273 2.257 40 0 BEABLO O=CN1CCC[C@@H]1c1ccc(NC2CCC2)[nH+]c1 ZINC000072213826 259318367 /nfs/dbraw/zinc/31/83/67/259318367.db2.gz PHQCUSXHQXWHAB-CYBMUJFWSA-N 1 2 245.326 2.339 40 0 BEABLO CCC(=O)c1c[nH+]c(N(C)CC)cc1C ZINC000072223232 259320769 /nfs/dbraw/zinc/32/07/69/259320769.db2.gz CLXNIHIVNAQMED-UHFFFAOYSA-N 1 2 206.289 2.439 40 0 BEABLO CNc1ccc(CNC(=O)OC(C)(C)C)c[nH+]1 ZINC000072225101 259321954 /nfs/dbraw/zinc/32/19/54/259321954.db2.gz VKMGEECPKXJROS-UHFFFAOYSA-N 1 2 237.303 2.148 40 0 BEABLO COC(=O)[C@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000035629898 343300924 /nfs/dbraw/zinc/30/09/24/343300924.db2.gz MQVMYVLIKSGCBH-MRVPVSSYSA-N 1 2 234.082 2.166 40 0 BEABLO Cc1nc(NCC(C)C)c2c([nH+]1)CCC2 ZINC000012016444 180068107 /nfs/dbraw/zinc/06/81/07/180068107.db2.gz DJBIWJNPCCWUCK-UHFFFAOYSA-N 1 2 205.305 2.342 40 0 BEABLO C[C@@H]1C[C@@H](c2ccccc2)C(=O)C[N@@H+]1C ZINC000004692452 191121033 /nfs/dbraw/zinc/12/10/33/191121033.db2.gz YFDVANILCDHZCK-PWSUYJOCSA-N 1 2 203.285 2.063 40 0 BEABLO C[C@@H]1C[C@@H](c2ccccc2)C(=O)C[N@H+]1C ZINC000004692452 191121036 /nfs/dbraw/zinc/12/10/36/191121036.db2.gz YFDVANILCDHZCK-PWSUYJOCSA-N 1 2 203.285 2.063 40 0 BEABLO CC(C)(C)c1n[nH]c([C@H]([NH3+])c2ccc(F)cc2)n1 ZINC000095533326 188146269 /nfs/dbraw/zinc/14/62/69/188146269.db2.gz XTQBKMFOKBQBDT-SNVBAGLBSA-N 1 2 248.305 2.289 40 0 BEABLO CC(C)(C)c1nnc([C@H]([NH3+])c2ccc(F)cc2)[nH]1 ZINC000095533326 188146270 /nfs/dbraw/zinc/14/62/70/188146270.db2.gz XTQBKMFOKBQBDT-SNVBAGLBSA-N 1 2 248.305 2.289 40 0 BEABLO CC(C)(C)c1nc([C@@H]([NH3+])Cc2ccccc2)n[nH]1 ZINC000095534903 188146298 /nfs/dbraw/zinc/14/62/98/188146298.db2.gz ZOYWGKMIZAKMAP-NSHDSACASA-N 1 2 244.342 2.345 40 0 BEABLO FC(F)n1ccc(C[NH2+]Cc2ccco2)n1 ZINC000256050952 180912717 /nfs/dbraw/zinc/91/27/17/180912717.db2.gz HDWLUYQAIFGTSW-UHFFFAOYSA-N 1 2 227.214 2.161 40 0 BEABLO Cn1ccc2c[nH+]cc(Br)c21 ZINC000223956590 357167640 /nfs/dbraw/zinc/16/76/40/357167640.db2.gz VFDCUIJTQOBBGP-UHFFFAOYSA-N 1 2 211.062 2.336 40 0 BEABLO CC(C)(C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000004248430 358235586 /nfs/dbraw/zinc/23/55/86/358235586.db2.gz RBVPLXQJXXPRRK-UHFFFAOYSA-N 1 2 245.326 2.039 40 0 BEABLO OC1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000038539829 183028296 /nfs/dbraw/zinc/02/82/96/183028296.db2.gz HXJFHAMNZIXKQF-UHFFFAOYSA-N 1 2 243.709 2.436 40 0 BEABLO c1cc([C@H]2COCC[N@H+]2CC2CCCCC2)n[nH]1 ZINC000257280235 183363979 /nfs/dbraw/zinc/36/39/79/183363979.db2.gz OKAMUASYRVWGPE-CQSZACIVSA-N 1 2 249.358 2.363 40 0 BEABLO c1cc([C@H]2COCC[N@@H+]2CC2CCCCC2)n[nH]1 ZINC000257280235 183363980 /nfs/dbraw/zinc/36/39/80/183363980.db2.gz OKAMUASYRVWGPE-CQSZACIVSA-N 1 2 249.358 2.363 40 0 BEABLO c1cc([C@@H]2COCC[N@H+]2CC2CCCCC2)n[nH]1 ZINC000257280234 183362231 /nfs/dbraw/zinc/36/22/31/183362231.db2.gz OKAMUASYRVWGPE-AWEZNQCLSA-N 1 2 249.358 2.363 40 0 BEABLO c1cc([C@@H]2COCC[N@@H+]2CC2CCCCC2)n[nH]1 ZINC000257280234 183362234 /nfs/dbraw/zinc/36/22/34/183362234.db2.gz OKAMUASYRVWGPE-AWEZNQCLSA-N 1 2 249.358 2.363 40 0 BEABLO CC[N@H+](CCO)Cc1c(F)cccc1Cl ZINC000049754189 383825063 /nfs/dbraw/zinc/82/50/63/383825063.db2.gz NJVZWZRNQKARJH-UHFFFAOYSA-N 1 2 231.698 2.293 40 0 BEABLO CC[N@@H+](CCO)Cc1c(F)cccc1Cl ZINC000049754189 383825067 /nfs/dbraw/zinc/82/50/67/383825067.db2.gz NJVZWZRNQKARJH-UHFFFAOYSA-N 1 2 231.698 2.293 40 0 BEABLO c1ccc2c(c1)SCC[C@H]2NC1=[NH+]CCO1 ZINC000005941610 384137398 /nfs/dbraw/zinc/13/73/98/384137398.db2.gz YEGCWAQTPNEBHN-SNVBAGLBSA-N 1 2 234.324 2.199 40 0 BEABLO CCc1cc([NH3+])ccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000226315812 384971041 /nfs/dbraw/zinc/97/10/41/384971041.db2.gz RYQXNSFJTNQCGL-PHIMTYICSA-N 1 2 234.343 2.445 40 0 BEABLO Cc1cc([NH3+])ccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000036950047 384981023 /nfs/dbraw/zinc/98/10/23/384981023.db2.gz MCSWCGYAZDDPED-PHIMTYICSA-N 1 2 220.316 2.191 40 0 BEABLO CNc1ccc([C@@H]2CCCCN2C(C)=O)c[nH+]1 ZINC000072212511 385075196 /nfs/dbraw/zinc/07/51/96/385075196.db2.gz XINVUMHYQFOQNS-LBPRGKRZSA-N 1 2 233.315 2.197 40 0 BEABLO CNc1[nH+]cccc1[C@H]1CCCCN1C(C)=O ZINC000072212570 385077023 /nfs/dbraw/zinc/07/70/23/385077023.db2.gz HMWSAJONKGMWPV-GFCCVEGCSA-N 1 2 233.315 2.197 40 0 BEABLO CCN(C)c1ccc([C@H]2CCCN2C(C)=O)c[nH+]1 ZINC000072212710 385079528 /nfs/dbraw/zinc/07/95/28/385079528.db2.gz YJHQLQCLPSMEML-CYBMUJFWSA-N 1 2 247.342 2.221 40 0 BEABLO CC(C)[C@H]([NH3+])c1nnc(CNc2ccccc2)[nH]1 ZINC000095534732 385045541 /nfs/dbraw/zinc/04/55/41/385045541.db2.gz QMYCTJZEJVQECS-LBPRGKRZSA-N 1 2 245.330 2.073 40 0 BEABLO CC(C)[C@H]([NH3+])c1n[nH]c(CNc2ccccc2)n1 ZINC000095534732 385045549 /nfs/dbraw/zinc/04/55/49/385045549.db2.gz QMYCTJZEJVQECS-LBPRGKRZSA-N 1 2 245.330 2.073 40 0 BEABLO CC(C)[C@@H]([NH3+])c1nnc(CNc2ccccc2)[nH]1 ZINC000095534733 385046999 /nfs/dbraw/zinc/04/69/99/385046999.db2.gz QMYCTJZEJVQECS-GFCCVEGCSA-N 1 2 245.330 2.073 40 0 BEABLO CC(C)[C@@H]([NH3+])c1n[nH]c(CNc2ccccc2)n1 ZINC000095534733 385047010 /nfs/dbraw/zinc/04/70/10/385047010.db2.gz QMYCTJZEJVQECS-GFCCVEGCSA-N 1 2 245.330 2.073 40 0 BEABLO Cc1cc([C@H](C)O)c[nH+]c1N1CCCC1 ZINC000072222435 385110133 /nfs/dbraw/zinc/11/01/33/385110133.db2.gz HFDWKCOTGHJYFK-JTQLQIEISA-N 1 2 206.289 2.044 40 0 BEABLO OCCc1ccc(N2CCc3ccccc32)[nH+]c1 ZINC000072225820 385124933 /nfs/dbraw/zinc/12/49/33/385124933.db2.gz OYZVAXAQZCNUSR-UHFFFAOYSA-N 1 2 240.306 2.311 40 0 BEABLO Nc1cc(C(F)(F)F)c[nH+]c1NC1CC1 ZINC000095096665 385263820 /nfs/dbraw/zinc/26/38/20/385263820.db2.gz AUCJTNKXQZZITP-UHFFFAOYSA-N 1 2 217.194 2.257 40 0 BEABLO c1ncc(C[N@@H+]2CCC[C@@H]2c2cnccn2)s1 ZINC000257311565 385763510 /nfs/dbraw/zinc/76/35/10/385763510.db2.gz UKBGVGIYIXLNOI-GFCCVEGCSA-N 1 2 246.339 2.270 40 0 BEABLO c1ncc(C[N@H+]2CCC[C@@H]2c2cnccn2)s1 ZINC000257311565 385763515 /nfs/dbraw/zinc/76/35/15/385763515.db2.gz UKBGVGIYIXLNOI-GFCCVEGCSA-N 1 2 246.339 2.270 40 0 BEABLO C[C@@H]1CN2C(=[NH+][C@H](c3ccccn3)[C@@H]2C)S1 ZINC000222555974 386052621 /nfs/dbraw/zinc/05/26/21/386052621.db2.gz OJCJSJJNJMHORN-YWVKMMECSA-N 1 2 233.340 2.318 40 0 BEABLO COC(=O)c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000223740941 386098883 /nfs/dbraw/zinc/09/88/83/386098883.db2.gz QJBQUVOHJKYTIP-UHFFFAOYSA-N 1 2 244.294 2.330 40 0 BEABLO Nc1cc(-n2cc[nH+]c2)cc(C(F)(F)F)c1 ZINC000095831352 388653640 /nfs/dbraw/zinc/65/36/40/388653640.db2.gz KZPKULGYMCRGJA-UHFFFAOYSA-N 1 2 227.189 2.473 40 0 BEABLO Nc1[nH+]c2c(cc1Br)CCCC2 ZINC000083050524 388731248 /nfs/dbraw/zinc/73/12/48/388731248.db2.gz YWGZKGCFIKOBIP-UHFFFAOYSA-N 1 2 227.105 2.305 40 0 BEABLO Cc1cc(-n2cnnc2)ccc1[NH+]1CCCC1 ZINC000226276088 177696822 /nfs/dbraw/zinc/69/68/22/177696822.db2.gz LNGRQLNMZWUOSI-UHFFFAOYSA-N 1 2 228.299 2.176 40 0 BEABLO c1ccc(C2=[NH+]CCNN2c2ccccc2)cc1 ZINC000006222855 132317920 /nfs/dbraw/zinc/31/79/20/132317920.db2.gz CBBPTRHXIOXRMP-UHFFFAOYSA-N 1 2 237.306 2.458 40 0 BEABLO CC1(c2cc[nH]n2)CCN(c2cccc[nH+]2)CC1 ZINC000072381756 132396984 /nfs/dbraw/zinc/39/69/84/132396984.db2.gz SOBUEOYHSPSUSC-UHFFFAOYSA-N 1 2 242.326 2.363 40 0 BEABLO Cc1ccc(C=O)c(N2CCCCC2)[nH+]1 ZINC000217733266 132452083 /nfs/dbraw/zinc/45/20/83/132452083.db2.gz KLCNWOVPTSWKDD-UHFFFAOYSA-N 1 2 204.273 2.193 40 0 BEABLO Cc1cn(C)nc1C[NH2+]Cc1ccc(F)s1 ZINC000256049785 398040553 /nfs/dbraw/zinc/04/05/53/398040553.db2.gz BKXRPLZWVQJGNR-UHFFFAOYSA-N 1 2 239.319 2.219 40 0 BEABLO FC(F)Cn1ccc(C[NH2+]Cc2ccco2)n1 ZINC000256049759 398040670 /nfs/dbraw/zinc/04/06/70/398040670.db2.gz BIOVTVTYFFDRAU-UHFFFAOYSA-N 1 2 241.241 2.031 40 0 BEABLO CC(C)NC(=O)c1cc(N)ccc1[NH+]1CCCC1 ZINC000035703589 167085621 /nfs/dbraw/zinc/08/56/21/167085621.db2.gz GEJQZUKDIRFXKZ-UHFFFAOYSA-N 1 2 247.342 2.007 40 0 BEABLO CCOC(=[NH2+])CC(=O)Nc1ccccc1 ZINC000102956594 170180412 /nfs/dbraw/zinc/18/04/12/170180412.db2.gz OYFJGLYDKNISEF-UHFFFAOYSA-N 1 2 206.245 2.029 40 0 BEABLO CCn1ccc(C[NH2+]Cc2ccccc2OC)n1 ZINC000020349105 523493618 /nfs/dbraw/zinc/49/36/18/523493618.db2.gz LXIMHVKSXUZNAR-UHFFFAOYSA-N 1 2 245.326 2.201 40 0 BEABLO Cn1cc(C[NH2+]Cc2csc(C3CC3)n2)cn1 ZINC000069876753 259313082 /nfs/dbraw/zinc/31/30/82/259313082.db2.gz QYJCWALHCMCNPV-UHFFFAOYSA-N 1 2 248.355 2.044 40 0 BEABLO Nc1cc(Nc2ccccc2Cl)nc(N)[nH+]1 ZINC000001675994 342708381 /nfs/dbraw/zinc/70/83/81/342708381.db2.gz FGFXCYAACOEYFP-UHFFFAOYSA-N 1 2 235.678 2.038 40 0 BEABLO CCc1c(N)nc(N)[nH+]c1Nc1ccc(C)cc1 ZINC000001681576 342708667 /nfs/dbraw/zinc/70/86/67/342708667.db2.gz OYNIFXOVFWRNCM-UHFFFAOYSA-N 1 2 243.314 2.255 40 0 BEABLO Cc1cc(NN)c2c(Cl)ccc(C)c2[nH+]1 ZINC000002564408 342724620 /nfs/dbraw/zinc/72/46/20/342724620.db2.gz CZTFLMZEENYGNI-UHFFFAOYSA-N 1 2 221.691 2.213 40 0 BEABLO Cc1cc(C(=O)c2ccccc2)c[nH+]c1N ZINC000072222039 259320384 /nfs/dbraw/zinc/32/03/84/259320384.db2.gz APLABBXFOVJDJX-UHFFFAOYSA-N 1 2 212.252 2.203 40 0 BEABLO CNc1ccc([C@H](O)c2ccccc2)c[nH+]1 ZINC000072225108 259321734 /nfs/dbraw/zinc/32/17/34/259321734.db2.gz AOVLNSRJRNCEGA-CYBMUJFWSA-N 1 2 214.268 2.205 40 0 BEABLO COc1cc(C(=[NH2+])SC)cc(OC)c1OC ZINC000101653532 398323919 /nfs/dbraw/zinc/32/39/19/398323919.db2.gz QJJYSDBEXWAIPR-UHFFFAOYSA-N 1 2 241.312 2.401 40 0 biogenic,in-vitro BEABLO OCc1ccc[nH+]c1NCc1ccccc1 ZINC000041227577 188084135 /nfs/dbraw/zinc/08/41/35/188084135.db2.gz VSXRVDGIRDNWQM-UHFFFAOYSA-N 1 2 214.268 2.186 40 0 BEABLO C1CC(c2nc([C@@H]3CCCC[NH2+]3)no2)C1 ZINC000040443509 188118530 /nfs/dbraw/zinc/11/85/30/188118530.db2.gz DSEVMBDJOHDLBY-VIFPVBQESA-N 1 2 207.277 2.152 40 0 BEABLO CC(C)Cn1c(C=O)ccc1Cn1cc[nH+]c1 ZINC000078404640 188136224 /nfs/dbraw/zinc/13/62/24/188136224.db2.gz ACXOBRUCJAKHGL-UHFFFAOYSA-N 1 2 231.299 2.201 40 0 BEABLO O=C(Cn1cc[nH+]c1)c1ccc(F)cc1F ZINC000021986354 182071892 /nfs/dbraw/zinc/07/18/92/182071892.db2.gz SOZGBQIEPMIPHN-UHFFFAOYSA-N 1 2 222.194 2.044 40 0 BEABLO O=C(NCCc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC000006448113 182202004 /nfs/dbraw/zinc/20/20/04/182202004.db2.gz JNZLOCPWBCJEIN-UHFFFAOYSA-N 1 2 249.701 2.036 40 0 BEABLO O=C(NCCc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC000006448113 182202006 /nfs/dbraw/zinc/20/20/06/182202006.db2.gz JNZLOCPWBCJEIN-UHFFFAOYSA-N 1 2 249.701 2.036 40 0 BEABLO c1cc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)[nH]n1 ZINC000072187691 183398940 /nfs/dbraw/zinc/39/89/40/183398940.db2.gz OKLKRMMFDLHIAK-LBPRGKRZSA-N 1 2 242.326 2.184 40 0 BEABLO c1cc([C@H]2CCC[N@H+](Cc3ccccn3)C2)[nH]n1 ZINC000072187691 183398941 /nfs/dbraw/zinc/39/89/41/183398941.db2.gz OKLKRMMFDLHIAK-LBPRGKRZSA-N 1 2 242.326 2.184 40 0 BEABLO CC=CCc1[nH][nH+]c(C)c2c(C)nnc1-2 ZINC000005386254 384111591 /nfs/dbraw/zinc/11/15/91/384111591.db2.gz WIXNVIOBCCNZEV-PLNGDYQASA-N 1 2 202.261 2.088 40 0 BEABLO COC(=O)/C=C\c1ccc(Cn2cc[nH+]c2)cc1 ZINC000095936201 384414856 /nfs/dbraw/zinc/41/48/56/384414856.db2.gz FTLRFDGBBQSQMJ-SREVYHEPSA-N 1 2 242.278 2.118 40 0 BEABLO CC[C@H](O)c1c[nH+]c(N2CCCC2)c(C)c1 ZINC000072222436 385110569 /nfs/dbraw/zinc/11/05/69/385110569.db2.gz QMFFZEKMFKOEMD-LBPRGKRZSA-N 1 2 220.316 2.434 40 0 BEABLO Cc1cc([C@H](C)O)c[nH+]c1N1CCCCC1 ZINC000072222458 385111394 /nfs/dbraw/zinc/11/13/94/385111394.db2.gz ABOMIMOFIDMXDL-NSHDSACASA-N 1 2 220.316 2.434 40 0 BEABLO CNc1[nH+]ccc(C)c1Br ZINC000095097386 385431843 /nfs/dbraw/zinc/43/18/43/385431843.db2.gz VXWQZYNFNBFEGG-UHFFFAOYSA-N 1 2 201.067 2.194 40 0 BEABLO Cc1c[nH]c([C@@H]2CCCN2c2cc[nH+]c(C)n2)n1 ZINC000257220868 385752312 /nfs/dbraw/zinc/75/23/12/385752312.db2.gz DMNLVLXVRTWZTK-NSHDSACASA-N 1 2 243.314 2.158 40 0 BEABLO CCc1ccc([C@H]2NC(=O)C3CC[NH+]2CC3)cc1 ZINC000223813776 386102195 /nfs/dbraw/zinc/10/21/95/386102195.db2.gz GDBZHVPRZWZXHQ-AWEZNQCLSA-N 1 2 244.338 2.089 40 0 BEABLO c1nncn1-c1ccc([NH+]2CCCCC2)cc1 ZINC000045958334 132299693 /nfs/dbraw/zinc/29/96/93/132299693.db2.gz ICGMBBQURHDULG-UHFFFAOYSA-N 1 2 228.299 2.258 40 0 BEABLO CNc1ccc(-c2ccccc2CO)c[nH+]1 ZINC000061895420 411196070 /nfs/dbraw/zinc/19/60/70/411196070.db2.gz JIHZOUCHPWDLJL-UHFFFAOYSA-N 1 2 214.268 2.283 40 0 BEABLO CCOC(=[NH2+])c1ccc(OC)cc1OC ZINC000037928132 170180167 /nfs/dbraw/zinc/18/01/67/170180167.db2.gz LEAFOBVBKRPNBB-UHFFFAOYSA-N 1 2 209.245 2.066 40 0 BEABLO COc1ccc2c(c1)C(=O)[C@@H](n1cc[nH+]c1)CC2 ZINC000005400595 175207142 /nfs/dbraw/zinc/20/71/42/175207142.db2.gz YJKMDICXRKMSFW-ZDUSSCGKSA-N 1 2 242.278 2.262 40 0 BEABLO COc1ccccc1[C@H]([NH3+])c1noc(C2CC2)n1 ZINC000036764087 175353121 /nfs/dbraw/zinc/35/31/21/175353121.db2.gz VRFCIKMILFCJFH-NSHDSACASA-N 1 2 245.282 2.004 40 0 BEABLO C[C@]12C[C@@H](C(F)(F)F)[NH2+][C@H]1CCCCC2=O ZINC000095951595 177484244 /nfs/dbraw/zinc/48/42/44/177484244.db2.gz UWCPMFUPOJQSHK-NRPADANISA-N 1 2 235.249 2.429 40 0 BEABLO CCOC(=[NH2+])Cc1cc(OC)cc(OC)c1 ZINC000228954933 520392513 /nfs/dbraw/zinc/39/25/13/520392513.db2.gz CJTFKBVFWUTNKI-UHFFFAOYSA-N 1 2 223.272 2.260 40 0 BEABLO