smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1ccc(-c2n[nH]c(C[NH2+]C3CC3)n2)cc1 ZINC000214294185 967789665 /nfs/dbraw/zinc/78/96/65/967789665.db2.gz GSBRYWCWLLKMNN-UHFFFAOYSA-N 1 2 248.717 2.377 50 0 BEAALO CCC(CC)C(=O)NCc1cc[nH+]c(N(C)C)c1 ZINC000040087734 168338700 /nfs/dbraw/zinc/33/87/00/168338700.db2.gz WLHKCKNLYRQWII-UHFFFAOYSA-N 1 2 249.358 2.200 50 0 BEAALO Cc1cc(N2CCCC2)nc(C2CC2)[nH+]1 ZINC000098009578 178112726 /nfs/dbraw/zinc/11/27/26/178112726.db2.gz QXCRZCAKSBZFJF-UHFFFAOYSA-N 1 2 203.289 2.263 50 0 BEAALO Cc1cc(NC(=O)/C=C\c2cccnc2)cc[nH+]1 ZINC000096034973 178124255 /nfs/dbraw/zinc/12/42/55/178124255.db2.gz IDXHPRYICONJRN-PLNGDYQASA-N 1 2 239.278 2.437 50 0 BEAALO Cc1cc(N[C@@H]2C=C[C@H](CO)C2)nc(C(C)C)[nH+]1 ZINC000095966052 178180080 /nfs/dbraw/zinc/18/00/80/178180080.db2.gz LBGIBPSXQAKPPS-NWDGAFQWSA-N 1 2 247.342 2.257 50 0 BEAALO COC(=O)c1cc(-c2ccc(N)[nH+]c2)ccc1F ZINC000075878355 398230006 /nfs/dbraw/zinc/23/00/06/398230006.db2.gz PNQCQNFYAYAWJP-UHFFFAOYSA-N 1 2 246.241 2.257 50 0 BEAALO Nc1ccc2[nH]c(-c3ccc(N)cc3O)[nH+]c2c1 ZINC000001509789 342702066 /nfs/dbraw/zinc/70/20/66/342702066.db2.gz FAQLHCHBYPFJOS-UHFFFAOYSA-N 1 2 240.266 2.100 50 0 BEAALO COC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)C(C)C ZINC000002027714 342714668 /nfs/dbraw/zinc/71/46/68/342714668.db2.gz WREZKYXHHHBGNI-OCCSQVGLSA-N 1 2 249.354 2.405 50 0 BEAALO C[C@H](N(C)c1[nH+]cnc2c1cnn2C)C(C)(C)C ZINC000032779348 342874863 /nfs/dbraw/zinc/87/48/63/342874863.db2.gz AJZXKNDERCPEPH-VIFPVBQESA-N 1 2 247.346 2.234 50 0 BEAALO CN(C)c1cc(CNC(=O)CC(C)(C)C)cc[nH+]1 ZINC000032830780 342880736 /nfs/dbraw/zinc/88/07/36/342880736.db2.gz PDAODNYTYCCGBA-UHFFFAOYSA-N 1 2 249.358 2.200 50 0 BEAALO COc1cc(C=O)ccc1-n1c[nH+]c(C)c1 ZINC000016698219 342914523 /nfs/dbraw/zinc/91/45/23/342914523.db2.gz ZPKLQDKQGVSJST-UHFFFAOYSA-N 1 2 216.240 2.002 50 0 BEAALO c1cn(-c2ccc(-c3csnn3)cc2)c[nH+]1 ZINC000004002488 398327520 /nfs/dbraw/zinc/32/75/20/398327520.db2.gz QDXHANXUOOBFBZ-UHFFFAOYSA-N 1 2 228.280 2.391 50 0 BEAALO Cc1ncc(C[N@@H+](C)[C@H](C)c2ccccn2)cn1 ZINC000351755215 136251660 /nfs/dbraw/zinc/25/16/60/136251660.db2.gz DQPKZRRHHYWOCX-LLVKDONJSA-N 1 2 242.326 2.373 50 0 BEAALO Cc1ncc(C[N@H+](C)[C@H](C)c2ccccn2)cn1 ZINC000351755215 136251661 /nfs/dbraw/zinc/25/16/61/136251661.db2.gz DQPKZRRHHYWOCX-LLVKDONJSA-N 1 2 242.326 2.373 50 0 BEAALO NNc1cc(C(F)(F)F)cc(Cl)[nH+]1 ZINC000022996610 343057361 /nfs/dbraw/zinc/05/73/61/343057361.db2.gz JFACCCFLLFQERY-UHFFFAOYSA-N 1 2 211.574 2.039 50 0 BEAALO Nc1ccc2[nH]c(-c3cc(O)ccc3N)[nH+]c2c1 ZINC000000075591 187244006 /nfs/dbraw/zinc/24/40/06/187244006.db2.gz NLEWYRAKUUQYJP-UHFFFAOYSA-N 1 2 240.266 2.100 50 0 BEAALO Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000032625285 343238874 /nfs/dbraw/zinc/23/88/74/343238874.db2.gz ZXLBIMVZQQUVFW-UHFFFAOYSA-N 1 2 213.284 2.469 50 0 BEAALO CC[C@]([NH3+])(C(=O)OC)c1ccc(Cl)cc1 ZINC000037459607 343345952 /nfs/dbraw/zinc/34/59/52/343345952.db2.gz RDTRIOBNZFXHES-LLVKDONJSA-N 1 2 227.691 2.077 50 0 BEAALO CC(C)(C)OC(=O)[C@H]([NH3+])c1ccccc1 ZINC000037729912 343352769 /nfs/dbraw/zinc/35/27/69/343352769.db2.gz HJLYKRGXTOVWFL-SNVBAGLBSA-N 1 2 207.273 2.028 50 0 BEAALO CC(C)=CC[N@@H+]1CCn2c(nnc2C(C)C)C1 ZINC000069950686 187258432 /nfs/dbraw/zinc/25/84/32/187258432.db2.gz CHLDQLRCOHTKIO-UHFFFAOYSA-N 1 2 234.347 2.183 50 0 BEAALO CC(C)=CC[N@H+]1CCn2c(nnc2C(C)C)C1 ZINC000069950686 187258433 /nfs/dbraw/zinc/25/84/33/187258433.db2.gz CHLDQLRCOHTKIO-UHFFFAOYSA-N 1 2 234.347 2.183 50 0 BEAALO Cc1nn(-c2cc(C)[nH+]c(C)n2)c2c1CCC2 ZINC000000195090 344622239 /nfs/dbraw/zinc/62/22/39/344622239.db2.gz LNXSGMFEVKDFDJ-UHFFFAOYSA-N 1 2 228.299 2.076 50 0 BEAALO Cc1cccc(OC[C@H]2C[N@H+]2C(C)C)c1 ZINC000019853650 179172181 /nfs/dbraw/zinc/17/21/81/179172181.db2.gz XSYUAWLBBBDAQW-PUODRLBUSA-N 1 2 205.301 2.466 50 0 BEAALO Cc1cccc(OC[C@H]2C[N@@H+]2C(C)C)c1 ZINC000019853650 179172185 /nfs/dbraw/zinc/17/21/85/179172185.db2.gz XSYUAWLBBBDAQW-PUODRLBUSA-N 1 2 205.301 2.466 50 0 BEAALO Cc1ccccc1[C@]1(O)CC[N@H+](CC(F)F)C1 ZINC000067774181 179352674 /nfs/dbraw/zinc/35/26/74/179352674.db2.gz FTQCPVSVYBKHJB-ZDUSSCGKSA-N 1 2 241.281 2.153 50 0 BEAALO Cc1ccccc1[C@]1(O)CC[N@@H+](CC(F)F)C1 ZINC000067774181 179352676 /nfs/dbraw/zinc/35/26/76/179352676.db2.gz FTQCPVSVYBKHJB-ZDUSSCGKSA-N 1 2 241.281 2.153 50 0 BEAALO Cc1ccn(-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000065435063 179399910 /nfs/dbraw/zinc/39/99/10/179399910.db2.gz BYCPSZISIBHZLB-UHFFFAOYSA-N 1 2 238.294 2.426 50 0 BEAALO Cc1nc2ccccc2c(-c2ccc(N)[nH+]c2)n1 ZINC000426518786 191093869 /nfs/dbraw/zinc/09/38/69/191093869.db2.gz MCOYFEJFUHKTTG-UHFFFAOYSA-N 1 2 236.278 2.413 50 0 BEAALO CCc1cc(NCCc2cccnc2)nc[nH+]1 ZINC000040765154 350395587 /nfs/dbraw/zinc/39/55/87/350395587.db2.gz GNYGUMIISHRVEI-UHFFFAOYSA-N 1 2 228.299 2.089 50 0 BEAALO Cc1ccc(C[N@@H+](C)[C@@H]2C[C@H](C)OC2=O)cc1 ZINC000040023625 351291395 /nfs/dbraw/zinc/29/13/95/351291395.db2.gz JGXXCINWJJLPKY-WCQYABFASA-N 1 2 233.311 2.131 50 0 BEAALO Cc1ccc(C[N@H+](C)[C@@H]2C[C@H](C)OC2=O)cc1 ZINC000040023625 351291398 /nfs/dbraw/zinc/29/13/98/351291398.db2.gz JGXXCINWJJLPKY-WCQYABFASA-N 1 2 233.311 2.131 50 0 BEAALO COC(=O)C[N@H+](Cc1ccc(C)cc1)C1CC1 ZINC000045837906 353244666 /nfs/dbraw/zinc/24/46/66/353244666.db2.gz JLDFQVXZSABGLK-UHFFFAOYSA-N 1 2 233.311 2.132 50 0 BEAALO COC(=O)C[N@@H+](Cc1ccc(C)cc1)C1CC1 ZINC000045837906 353244669 /nfs/dbraw/zinc/24/46/69/353244669.db2.gz JLDFQVXZSABGLK-UHFFFAOYSA-N 1 2 233.311 2.132 50 0 BEAALO Cc1cccc(NC=C2C[C@@H](C)OC2=O)[nH+]1 ZINC000075286404 358100186 /nfs/dbraw/zinc/10/01/86/358100186.db2.gz MONSXXXKUNCVOP-YIXGCBLDSA-N 1 2 218.256 2.021 50 0 BEAALO CC(C)c1nc(C[N@@H+]2CCC[C@H](O)C2)cs1 ZINC000048331252 358628467 /nfs/dbraw/zinc/62/84/67/358628467.db2.gz MJXRFYYYFALTTB-NSHDSACASA-N 1 2 240.372 2.223 50 0 BEAALO CC(C)c1nc(C[N@H+]2CCC[C@H](O)C2)cs1 ZINC000048331252 358628470 /nfs/dbraw/zinc/62/84/70/358628470.db2.gz MJXRFYYYFALTTB-NSHDSACASA-N 1 2 240.372 2.223 50 0 BEAALO C[C@@H]1C[N@@H+](Cc2ccon2)C[C@H](C)S1 ZINC000089937102 360049147 /nfs/dbraw/zinc/04/91/47/360049147.db2.gz NLYZUGFAXNYEPE-DTORHVGOSA-N 1 2 212.318 2.000 50 0 BEAALO C[C@@H]1C[N@H+](Cc2ccon2)C[C@H](C)S1 ZINC000089937102 360049151 /nfs/dbraw/zinc/04/91/51/360049151.db2.gz NLYZUGFAXNYEPE-DTORHVGOSA-N 1 2 212.318 2.000 50 0 BEAALO Cn1cc[nH+]c1CNc1cccc(F)c1 ZINC000036804466 361492858 /nfs/dbraw/zinc/49/28/58/361492858.db2.gz NOULLBLKPCPWNF-UHFFFAOYSA-N 1 2 205.236 2.171 50 0 BEAALO COC(=O)C(C)(C)[NH2+]Cc1ccc(C)s1 ZINC000037085135 361654363 /nfs/dbraw/zinc/65/43/63/361654363.db2.gz YSYKOOJIHCKHES-UHFFFAOYSA-N 1 2 227.329 2.098 50 0 BEAALO Fc1c[nH+]ccc1NCCCOC1CCCC1 ZINC000584894932 369042396 /nfs/dbraw/zinc/04/23/96/369042396.db2.gz AGLHEDIPFFMIRA-UHFFFAOYSA-N 1 2 238.306 2.404 50 0 BEAALO CC(C)CCC(=O)NCc1cc[nH+]c(N(C)C)c1 ZINC000040512552 373410419 /nfs/dbraw/zinc/41/04/19/373410419.db2.gz KWYSSWNDNSCMSD-UHFFFAOYSA-N 1 2 249.358 2.200 50 0 BEAALO CCc1[nH+]ccn1-c1ncnc2ccccc21 ZINC000041495755 374143957 /nfs/dbraw/zinc/14/39/57/374143957.db2.gz HOHRLXXPTMATLI-UHFFFAOYSA-N 1 2 224.267 2.378 50 0 BEAALO CCCCc1nc(C[N@@H+]2CC[C@@H](O)C2)cs1 ZINC000058431953 169025868 /nfs/dbraw/zinc/02/58/68/169025868.db2.gz HJAWXDKYDGCGOD-LLVKDONJSA-N 1 2 240.372 2.052 50 0 BEAALO CCCCc1nc(C[N@H+]2CC[C@@H](O)C2)cs1 ZINC000058431953 169025870 /nfs/dbraw/zinc/02/58/70/169025870.db2.gz HJAWXDKYDGCGOD-LLVKDONJSA-N 1 2 240.372 2.052 50 0 BEAALO c1ccc(-c2n[nH]c([C@H]3CCCC[NH2+]3)n2)cc1 ZINC000042013532 183383252 /nfs/dbraw/zinc/38/32/52/183383252.db2.gz BFOCYJPPTRHLRS-LLVKDONJSA-N 1 2 228.299 2.286 50 0 BEAALO CCCNc1cc(-n2nc(C)cc2C)nc[nH+]1 ZINC000064543262 169294099 /nfs/dbraw/zinc/29/40/99/169294099.db2.gz RWZYSXYLDPECQS-UHFFFAOYSA-N 1 2 231.303 2.101 50 0 BEAALO c1ccc(NC[C@H]2COc3ccccc3O2)[nH+]c1 ZINC000000206940 383909975 /nfs/dbraw/zinc/90/99/75/383909975.db2.gz YMQBJGTZQCKUSC-NSHDSACASA-N 1 2 242.278 2.334 50 0 BEAALO C[C@@H](C(=O)N(C1CC1)C1CCCC1)n1cc[nH+]c1 ZINC000071886419 383895395 /nfs/dbraw/zinc/89/53/95/383895395.db2.gz UVLFBGJGAHSWNT-NSHDSACASA-N 1 2 247.342 2.378 50 0 BEAALO Cc1noc(C)c1[C@H]1CCCN1Cc1[nH]cc[nH+]1 ZINC000067818579 383949792 /nfs/dbraw/zinc/94/97/92/383949792.db2.gz VXDWJDUFHRWTJO-LLVKDONJSA-N 1 2 246.314 2.352 50 0 BEAALO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1ncc[nH]1 ZINC000067818579 383949797 /nfs/dbraw/zinc/94/97/97/383949797.db2.gz VXDWJDUFHRWTJO-LLVKDONJSA-N 1 2 246.314 2.352 50 0 BEAALO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1ncc[nH]1 ZINC000067818579 383949802 /nfs/dbraw/zinc/94/98/02/383949802.db2.gz VXDWJDUFHRWTJO-LLVKDONJSA-N 1 2 246.314 2.352 50 0 BEAALO Cc1c[nH+]c(CCNc2nnc(C(C)(C)C)o2)[nH]1 ZINC000091605134 384136607 /nfs/dbraw/zinc/13/66/07/384136607.db2.gz PMUMTLNAYYYVFF-UHFFFAOYSA-N 1 2 249.318 2.053 50 0 BEAALO COC(=O)C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000071915037 384187758 /nfs/dbraw/zinc/18/77/58/384187758.db2.gz BZBWBOSVLYJHHU-NSHDSACASA-N 1 2 237.299 2.370 50 0 BEAALO COC(=O)C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000071915037 384187763 /nfs/dbraw/zinc/18/77/63/384187763.db2.gz BZBWBOSVLYJHHU-NSHDSACASA-N 1 2 237.299 2.370 50 0 BEAALO CCc1[nH+]c(C)ccc1OCc1nonc1C ZINC000408525263 384290957 /nfs/dbraw/zinc/29/09/57/384290957.db2.gz SLZJHNMLXYWFRT-UHFFFAOYSA-N 1 2 233.271 2.223 50 0 BEAALO c1cn(CCCNc2nnc(C3CCC3)o2)c[nH+]1 ZINC000095390344 384371175 /nfs/dbraw/zinc/37/11/75/384371175.db2.gz DOVUYZCGXIZKCR-UHFFFAOYSA-N 1 2 247.302 2.036 50 0 BEAALO Cc1ccnc(N[C@H](c2[nH+]ccn2C)C(C)C)n1 ZINC000095389401 384372385 /nfs/dbraw/zinc/37/23/85/384372385.db2.gz NJOXZHHCGGQLTG-NSHDSACASA-N 1 2 245.330 2.328 50 0 BEAALO FC1(F)CCC[C@@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000335621059 384392025 /nfs/dbraw/zinc/39/20/25/384392025.db2.gz PLPLNVDXMISMLU-MRVPVSSYSA-N 1 2 215.247 2.077 50 0 BEAALO COC(=O)C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000096491407 384943130 /nfs/dbraw/zinc/94/31/30/384943130.db2.gz XZYWTQCGIVUVCW-LLVKDONJSA-N 1 2 235.327 2.115 50 0 BEAALO c1cc(C[NH2+][C@@H]2CCO[C@@H]2c2ccccc2)[nH]n1 ZINC000096447522 385172110 /nfs/dbraw/zinc/17/21/10/385172110.db2.gz AAIIWHXSXTVDNQ-ZIAGYGMSSA-N 1 2 243.310 2.030 50 0 BEAALO c1cc(C[NH2+][C@H]2CCO[C@H]2c2ccccc2)[nH]n1 ZINC000096447527 385172944 /nfs/dbraw/zinc/17/29/44/385172944.db2.gz AAIIWHXSXTVDNQ-KBPBESRZSA-N 1 2 243.310 2.030 50 0 BEAALO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1Cl)C(N)=O ZINC000096492354 385231265 /nfs/dbraw/zinc/23/12/65/385231265.db2.gz FJKYFTDBGHQDKQ-RNFRBKRXSA-N 1 2 244.697 2.004 50 0 BEAALO C[C@@H]([NH2+][C@@H](C)C(N)=O)c1c(F)cccc1Cl ZINC000096492351 385231725 /nfs/dbraw/zinc/23/17/25/385231725.db2.gz FJKYFTDBGHQDKQ-RQJHMYQMSA-N 1 2 244.697 2.004 50 0 BEAALO COc1ncccc1-c1cc(C)c[nH+]c1N ZINC000065370945 385628223 /nfs/dbraw/zinc/62/82/23/385628223.db2.gz BGHCANNRLRFVCW-UHFFFAOYSA-N 1 2 215.256 2.043 50 0 BEAALO Fc1ccc2[nH]cc(C[NH+]3CCOCC3)c2c1 ZINC000257899563 385773156 /nfs/dbraw/zinc/77/31/56/385773156.db2.gz AUDBULMUMFRVHN-UHFFFAOYSA-N 1 2 234.274 2.139 50 0 BEAALO Nc1nc(N2CCCCC2)[nH+]c2ccccc12 ZINC000086001054 386736814 /nfs/dbraw/zinc/73/68/14/386736814.db2.gz MDGLKMXWHKGENE-UHFFFAOYSA-N 1 2 228.299 2.202 50 0 BEAALO Cc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)on1 ZINC000051996440 386810486 /nfs/dbraw/zinc/81/04/86/386810486.db2.gz LARYEZURLACHHL-QWHCGFSZSA-N 1 2 236.315 2.126 50 0 BEAALO Cc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)on1 ZINC000051996440 386810491 /nfs/dbraw/zinc/81/04/91/386810491.db2.gz LARYEZURLACHHL-QWHCGFSZSA-N 1 2 236.315 2.126 50 0 BEAALO Cc1c[nH+]ccc1NC(=O)N(C)CC(F)F ZINC000121887107 387427021 /nfs/dbraw/zinc/42/70/21/387427021.db2.gz VGOQQAYCGHJEEG-UHFFFAOYSA-N 1 2 229.230 2.119 50 0 BEAALO C/C=C/C(=O)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000575612761 387435847 /nfs/dbraw/zinc/43/58/47/387435847.db2.gz MNABXDZYVRJAHD-CXLRFSCWSA-N 1 2 246.310 2.028 50 0 BEAALO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC12CCCCC2 ZINC000426406049 387565033 /nfs/dbraw/zinc/56/50/33/387565033.db2.gz HUWPVHKWEQHUIS-LLVKDONJSA-N 1 2 247.342 2.305 50 0 BEAALO CCC(CC)c1nc(Cn2cc[nH+]c2)no1 ZINC000065288308 388255895 /nfs/dbraw/zinc/25/58/95/388255895.db2.gz GTJPMVJENGWJDN-UHFFFAOYSA-N 1 2 220.276 2.218 50 0 BEAALO C/C=C/C(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000252500398 388375807 /nfs/dbraw/zinc/37/58/07/388375807.db2.gz SUPVXWQYSLCMBG-NSCUHMNNSA-N 1 2 246.310 2.028 50 0 BEAALO O=C1OCC[C@H]1[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000069492647 388417992 /nfs/dbraw/zinc/41/79/92/388417992.db2.gz IZMJJSKCWHQUQA-ZIAGYGMSSA-N 1 2 245.322 2.433 50 0 BEAALO CCCCNc1cc(-n2nc(C)cc2C)nc[nH+]1 ZINC000021713529 388817273 /nfs/dbraw/zinc/81/72/73/388817273.db2.gz JSRZJNXFHWVYBA-UHFFFAOYSA-N 1 2 245.330 2.491 50 0 BEAALO Cc1cc(C[NH2+]C(C)(C)c2nccs2)on1 ZINC000173417973 134274370 /nfs/dbraw/zinc/27/43/70/134274370.db2.gz DVDYALKKPXPUDO-UHFFFAOYSA-N 1 2 237.328 2.464 50 0 BEAALO CCOC(=O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000000393685 170237975 /nfs/dbraw/zinc/23/79/75/170237975.db2.gz GJXGBVQSRKUYFY-UHFFFAOYSA-N 1 2 232.283 2.216 50 0 BEAALO CCOC(=O)[C@@H]([NH3+])c1ccc(OC(C)C)cc1 ZINC000022204429 170255023 /nfs/dbraw/zinc/25/50/23/170255023.db2.gz CDTCQUWMAQENHB-LBPRGKRZSA-N 1 2 237.299 2.037 50 0 BEAALO CCOC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000043638481 170265696 /nfs/dbraw/zinc/26/56/96/170265696.db2.gz UVUIFQSYHWKBHE-NSHDSACASA-N 1 2 221.300 2.070 50 0 BEAALO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000043638481 170265697 /nfs/dbraw/zinc/26/56/97/170265697.db2.gz UVUIFQSYHWKBHE-NSHDSACASA-N 1 2 221.300 2.070 50 0 BEAALO CCOC(=O)[C@H]([NH3+])c1cccc2ccccc21 ZINC000037514899 170276721 /nfs/dbraw/zinc/27/67/21/170276721.db2.gz JUADKWTZIPWOLO-CYBMUJFWSA-N 1 2 229.279 2.403 50 0 biogenic BEAALO CCOC(=O)[C@H]1CC[C@H](c2ccccc2)[NH2+]1 ZINC000051971694 170280841 /nfs/dbraw/zinc/28/08/41/170280841.db2.gz BJOUEZQMVVKCPC-VXGBXAGGSA-N 1 2 219.284 2.043 50 0 BEAALO CCc1noc(C[N@H+](C)Cc2ccc(F)cc2)n1 ZINC000069530225 172082932 /nfs/dbraw/zinc/08/29/32/172082932.db2.gz IAEWGVNKCBDGHJ-UHFFFAOYSA-N 1 2 249.289 2.403 50 0 BEAALO CCc1noc(C[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC000069530225 172082935 /nfs/dbraw/zinc/08/29/35/172082935.db2.gz IAEWGVNKCBDGHJ-UHFFFAOYSA-N 1 2 249.289 2.403 50 0 BEAALO CCn1nccc1C[N@H+](C)[C@H](C)c1cccnc1 ZINC000195561944 172265029 /nfs/dbraw/zinc/26/50/29/172265029.db2.gz CQUWDNPIDPDENL-GFCCVEGCSA-N 1 2 244.342 2.491 50 0 BEAALO CCn1nccc1C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000195561944 172265032 /nfs/dbraw/zinc/26/50/32/172265032.db2.gz CQUWDNPIDPDENL-GFCCVEGCSA-N 1 2 244.342 2.491 50 0 BEAALO COc1ccc(-c2[nH+]cnc3[nH]ccc32)cn1 ZINC000067884166 175041767 /nfs/dbraw/zinc/04/17/67/175041767.db2.gz XGLYTYWBCKFQSR-UHFFFAOYSA-N 1 2 226.239 2.029 50 0 BEAALO COc1ccc(-n2cccn2)c(-c2[nH]cc[nH+]2)c1 ZINC000067879810 175043780 /nfs/dbraw/zinc/04/37/80/175043780.db2.gz DGYPAOYJAXYVFZ-UHFFFAOYSA-N 1 2 240.266 2.271 50 0 BEAALO COc1ccc(C(=O)Nc2cc[nH+]c(C)c2)cn1 ZINC000009367697 175063681 /nfs/dbraw/zinc/06/36/81/175063681.db2.gz BWVPKCFOICARHN-UHFFFAOYSA-N 1 2 243.266 2.046 50 0 BEAALO COc1ccc2[nH]cc(C[NH+]3CCOCC3)c2c1 ZINC000261506961 175203137 /nfs/dbraw/zinc/20/31/37/175203137.db2.gz CZCDOVTVSPIKJT-UHFFFAOYSA-N 1 2 246.310 2.009 50 0 BEAALO C[C@@H]1C[NH+](Cc2ccccc2F)C[C@@H](C)O1 ZINC000019606648 176306859 /nfs/dbraw/zinc/30/68/59/176306859.db2.gz JLWKCIQQXMVLCP-GHMZBOCLSA-N 1 2 223.291 2.435 50 0 BEAALO C[C@@H]1CC[C@H](C)N1c1nc[nH+]c(N)c1Cl ZINC000225481447 177187317 /nfs/dbraw/zinc/18/73/17/177187317.db2.gz XAHAYEVHJIXWEV-KNVOCYPGSA-N 1 2 226.711 2.089 50 0 BEAALO C[C@H]1C[N@H+](Cc2ccccc2F)CCO1 ZINC000040479432 177265733 /nfs/dbraw/zinc/26/57/33/177265733.db2.gz HEESVUUESWGQJN-JTQLQIEISA-N 1 2 209.264 2.046 50 0 BEAALO C[C@H]1C[N@@H+](Cc2ccccc2F)CCO1 ZINC000040479432 177265736 /nfs/dbraw/zinc/26/57/36/177265736.db2.gz HEESVUUESWGQJN-JTQLQIEISA-N 1 2 209.264 2.046 50 0 BEAALO C[C@H]1C[NH+]=C(Nc2cccc(O)c2)S1 ZINC000000333213 177281850 /nfs/dbraw/zinc/28/18/50/177281850.db2.gz WAICHRCMCQSSEP-ZETCQYMHSA-N 1 2 208.286 2.295 50 0 BEAALO CS[C@H]1CC[C@@H]([N@H+](C)CC(F)F)C1 ZINC000083859016 487700989 /nfs/dbraw/zinc/70/09/89/487700989.db2.gz HLOKHFJNNISLEQ-SFYZADRCSA-N 1 2 209.305 2.467 50 0 BEAALO CS[C@H]1CC[C@@H]([N@@H+](C)CC(F)F)C1 ZINC000083859016 487700997 /nfs/dbraw/zinc/70/09/97/487700997.db2.gz HLOKHFJNNISLEQ-SFYZADRCSA-N 1 2 209.305 2.467 50 0 BEAALO CC(C)CCO[C@@H]1CC[N@H+](Cc2ccon2)C1 ZINC000083247579 487885506 /nfs/dbraw/zinc/88/55/06/487885506.db2.gz JPHGTPGSZKILKG-CYBMUJFWSA-N 1 2 238.331 2.312 50 0 BEAALO CC(C)CCO[C@@H]1CC[N@@H+](Cc2ccon2)C1 ZINC000083247579 487885510 /nfs/dbraw/zinc/88/55/10/487885510.db2.gz JPHGTPGSZKILKG-CYBMUJFWSA-N 1 2 238.331 2.312 50 0 BEAALO Cc1ccnc(C[N@@H+]2CCC[C@@](C)(F)C2)n1 ZINC000336275226 487537971 /nfs/dbraw/zinc/53/79/71/487537971.db2.gz FGWRIRNBDLJWJF-GFCCVEGCSA-N 1 2 223.295 2.109 50 0 BEAALO Cc1ccnc(C[N@H+]2CCC[C@@](C)(F)C2)n1 ZINC000336275226 487537978 /nfs/dbraw/zinc/53/79/78/487537978.db2.gz FGWRIRNBDLJWJF-GFCCVEGCSA-N 1 2 223.295 2.109 50 0 BEAALO Cc1ccnc(C[N@@H+]2CCC[C@](C)(F)C2)n1 ZINC000336275227 487538105 /nfs/dbraw/zinc/53/81/05/487538105.db2.gz FGWRIRNBDLJWJF-LBPRGKRZSA-N 1 2 223.295 2.109 50 0 BEAALO Cc1ccnc(C[N@H+]2CCC[C@](C)(F)C2)n1 ZINC000336275227 487538111 /nfs/dbraw/zinc/53/81/11/487538111.db2.gz FGWRIRNBDLJWJF-LBPRGKRZSA-N 1 2 223.295 2.109 50 0 BEAALO Cc1cnc(C[N@@H+]2CCO[C@@H](CC(C)C)C2)cn1 ZINC000670458234 487510817 /nfs/dbraw/zinc/51/08/17/487510817.db2.gz OVJQWQVWFIABAQ-AWEZNQCLSA-N 1 2 249.358 2.032 50 0 BEAALO Cc1cnc(C[N@H+]2CCO[C@@H](CC(C)C)C2)cn1 ZINC000670458234 487510820 /nfs/dbraw/zinc/51/08/20/487510820.db2.gz OVJQWQVWFIABAQ-AWEZNQCLSA-N 1 2 249.358 2.032 50 0 BEAALO CC[C@]1(CO)CCCN(c2cc[nH+]cc2F)C1 ZINC000092106964 488081478 /nfs/dbraw/zinc/08/14/78/488081478.db2.gz ALIXLWFJYRSGBC-ZDUSSCGKSA-N 1 2 238.306 2.210 50 0 BEAALO CCCc1c[nH+]c(C)nc1N(C)C[C@@H]1CCOC1 ZINC000670435739 491105292 /nfs/dbraw/zinc/10/52/92/491105292.db2.gz LCLBPNNHDYGZQN-LBPRGKRZSA-N 1 2 249.358 2.210 50 0 BEAALO Cc1[nH+]c[nH]c1CN(Cc1nccs1)C1CC1 ZINC000244718827 525459840 /nfs/dbraw/zinc/45/98/40/525459840.db2.gz LRLIAOJHKLFPRS-UHFFFAOYSA-N 1 2 248.355 2.339 50 0 BEAALO Cc1[nH+]cnc(NC[C@H]2CC[C@H](CO)CC2)c1C ZINC000244811419 527463038 /nfs/dbraw/zinc/46/30/38/527463038.db2.gz SCGIHWIORFKMGF-JOCQHMNTSA-N 1 2 249.358 2.304 50 0 BEAALO CO[C@H]1C[C@@H](N(C)c2cc[nH+]c(C)n2)C12CCC2 ZINC000408519644 536794601 /nfs/dbraw/zinc/79/46/01/536794601.db2.gz KURTXKKMECYRON-NEPJUHHUSA-N 1 2 247.342 2.179 50 0 BEAALO Fc1cccc(-c2nnc(Cn3cc[nH+]c3)o2)c1 ZINC000072558631 537904772 /nfs/dbraw/zinc/90/47/72/537904772.db2.gz WPCQQJLFGYGWFO-UHFFFAOYSA-N 1 2 244.229 2.121 50 0 BEAALO Cc1cc(-n2ncc3ccccc32)c[nH+]c1N ZINC000065525689 712644022 /nfs/dbraw/zinc/64/40/22/712644022.db2.gz UTAXSIBHRSJUIZ-UHFFFAOYSA-N 1 2 224.267 2.311 50 0 BEAALO C=CC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000585122689 972152247 /nfs/dbraw/zinc/15/22/47/972152247.db2.gz FMYAVWHRZCZZMT-UHFFFAOYSA-N 1 2 247.342 2.088 50 0 BEAALO Cc1[nH+]c([C@H](O)C(F)(F)F)c2n1CCCC2 ZINC000828577637 968792111 /nfs/dbraw/zinc/79/21/11/968792111.db2.gz DXAVDYOKDCWNSL-VIFPVBQESA-N 1 2 234.221 2.124 50 0 BEAALO Cc1nc(NCc2ccnn2C)cc(C2CC2)[nH+]1 ZINC000952876788 974056591 /nfs/dbraw/zinc/05/65/91/974056591.db2.gz FKKGIHFPALBRLK-UHFFFAOYSA-N 1 2 243.314 2.008 50 0 BEAALO Cc1cc(C)n(C[C@@H](C)[N@H+](C)Cc2ccon2)n1 ZINC001506415594 988780552 /nfs/dbraw/zinc/78/05/52/988780552.db2.gz PNOSVWPIJGJEIL-GFCCVEGCSA-N 1 2 248.330 2.008 50 0 BEAALO Cc1cc(C)n(C[C@@H](C)[N@@H+](C)Cc2ccon2)n1 ZINC001506415594 988780561 /nfs/dbraw/zinc/78/05/61/988780561.db2.gz PNOSVWPIJGJEIL-GFCCVEGCSA-N 1 2 248.330 2.008 50 0 BEAALO O=Cc1ccccc1OCCCn1cc[nH+]c1 ZINC000019094155 136208346 /nfs/dbraw/zinc/20/83/46/136208346.db2.gz QITWIHRMPKLPOF-UHFFFAOYSA-N 1 2 230.267 2.165 50 0 BEAALO Cc1cc(NC(=O)N2CCO[C@H](C)[C@H]2C)cc[nH+]1 ZINC000097048796 178137464 /nfs/dbraw/zinc/13/74/64/178137464.db2.gz XONISPZCCCJNSX-GHMZBOCLSA-N 1 2 249.314 2.031 50 0 BEAALO Cc1cc(NCCCO)[nH+]c2cc(F)ccc12 ZINC000032503459 178159391 /nfs/dbraw/zinc/15/93/91/178159391.db2.gz IALWKMDKUXLGOV-UHFFFAOYSA-N 1 2 234.274 2.477 50 0 BEAALO Cc1cc([C@@H]2CCC[N@H+]2Cc2nnc(C)o2)on1 ZINC000048275670 178240308 /nfs/dbraw/zinc/24/03/08/178240308.db2.gz RIWBXPROZQXCIW-JTQLQIEISA-N 1 2 248.286 2.012 50 0 BEAALO Cc1cc([C@@H]2CCC[N@@H+]2Cc2nnc(C)o2)on1 ZINC000048275670 178240312 /nfs/dbraw/zinc/24/03/12/178240312.db2.gz RIWBXPROZQXCIW-JTQLQIEISA-N 1 2 248.286 2.012 50 0 BEAALO Cc1ccc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)o1 ZINC000253422908 178389437 /nfs/dbraw/zinc/38/94/37/178389437.db2.gz IHGLBNVHCYSSJF-SNVBAGLBSA-N 1 2 245.282 2.288 50 0 BEAALO CCCc1[nH+]cc([C@@H](O)c2ccccc2)n1C ZINC000000228198 342680551 /nfs/dbraw/zinc/68/05/51/342680551.db2.gz UMKXWQOTKYAUFE-AWEZNQCLSA-N 1 2 230.311 2.454 50 0 BEAALO COC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H](C)C(C)C ZINC000002027719 342714739 /nfs/dbraw/zinc/71/47/39/342714739.db2.gz WREZKYXHHHBGNI-TZMCWYRMSA-N 1 2 249.354 2.405 50 0 BEAALO O=C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000002598112 342726064 /nfs/dbraw/zinc/72/60/64/342726064.db2.gz RLCBASWXFBEVKY-UHFFFAOYSA-N 1 2 221.275 2.033 50 0 BEAALO CC(C)Cn1c2ccccc2[nH+]c1CCO ZINC000008786053 342804799 /nfs/dbraw/zinc/80/47/99/342804799.db2.gz NWTAWWVIRFORLI-UHFFFAOYSA-N 1 2 218.300 2.227 50 0 BEAALO CC[C@@H](C)[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000042417216 361998620 /nfs/dbraw/zinc/99/86/20/361998620.db2.gz VRGQQBLIBHVYMT-BDAKNGLRSA-N 1 2 233.319 2.210 50 0 BEAALO CCCCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000057757230 398320977 /nfs/dbraw/zinc/32/09/77/398320977.db2.gz ZWSOIBJWCNIFKD-UHFFFAOYSA-N 1 2 231.299 2.254 50 0 BEAALO Cc1ccc(CS[C@@H]2N[C@@H](C)C[NH2+]2)cc1C ZINC000019324358 342945445 /nfs/dbraw/zinc/94/54/45/342945445.db2.gz KNDMIDHJXJKVOC-AAEUAGOBSA-N 1 2 236.384 2.402 50 0 BEAALO Cc1ccc(CS[C@H]2NC[C@H](C)[NH2+]2)cc1C ZINC000019324358 342945446 /nfs/dbraw/zinc/94/54/46/342945446.db2.gz KNDMIDHJXJKVOC-AAEUAGOBSA-N 1 2 236.384 2.402 50 0 BEAALO Cc1ccc(CS[C@H]2N[C@@H](C)C[NH2+]2)cc1C ZINC000019324361 342945582 /nfs/dbraw/zinc/94/55/82/342945582.db2.gz KNDMIDHJXJKVOC-WCQYABFASA-N 1 2 236.384 2.402 50 0 BEAALO Cc1ccc(CS[C@@H]2NC[C@H](C)[NH2+]2)cc1C ZINC000019324361 342945583 /nfs/dbraw/zinc/94/55/83/342945583.db2.gz KNDMIDHJXJKVOC-WCQYABFASA-N 1 2 236.384 2.402 50 0 BEAALO Cc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000000431576 187219104 /nfs/dbraw/zinc/21/91/04/187219104.db2.gz AGDSBIYIBMPBJF-UHFFFAOYSA-N 1 2 202.257 2.271 50 0 BEAALO Fc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000003876285 343139201 /nfs/dbraw/zinc/13/92/01/343139201.db2.gz ZEZBUZLQFSRBGB-UHFFFAOYSA-N 1 2 206.220 2.101 50 0 BEAALO CCn1cncc1C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000335631550 136300037 /nfs/dbraw/zinc/30/00/37/136300037.db2.gz BQIOQNQOQREGBO-GFCCVEGCSA-N 1 2 225.311 2.227 50 0 BEAALO CCn1cncc1C[N@H+]1CCC[C@@](C)(F)C1 ZINC000335631550 136300038 /nfs/dbraw/zinc/30/00/38/136300038.db2.gz BQIOQNQOQREGBO-GFCCVEGCSA-N 1 2 225.311 2.227 50 0 BEAALO CCn1c[nH+]cc1CN1CCC[C@@](C)(F)C1 ZINC000335631550 136300039 /nfs/dbraw/zinc/30/00/39/136300039.db2.gz BQIOQNQOQREGBO-GFCCVEGCSA-N 1 2 225.311 2.227 50 0 BEAALO COC(=O)[C@@](C)([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037459718 343345802 /nfs/dbraw/zinc/34/58/02/343345802.db2.gz BYWKSTSGBJNLMJ-JTQLQIEISA-N 1 2 248.109 2.340 50 0 biogenic BEAALO Cn1c[nH+]cc1COc1cccc(F)c1F ZINC000335734301 136349808 /nfs/dbraw/zinc/34/98/08/136349808.db2.gz HIRLSTNGIGOENM-UHFFFAOYSA-N 1 2 224.210 2.277 50 0 BEAALO O=C(c1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000043210871 343465945 /nfs/dbraw/zinc/46/59/45/343465945.db2.gz IUWLNNWDEVXWPK-UHFFFAOYSA-N 1 2 245.322 2.112 50 0 BEAALO Cc1ccsc1C(=O)NCCCn1cc[nH+]c1 ZINC000028225862 344640918 /nfs/dbraw/zinc/64/09/18/344640918.db2.gz OMNJFHFKQPHXPM-UHFFFAOYSA-N 1 2 249.339 2.073 50 0 BEAALO Cc1cccc(OC[C@@H]2C[N@H+]2C(C)C)c1 ZINC000019853652 179170434 /nfs/dbraw/zinc/17/04/34/179170434.db2.gz XSYUAWLBBBDAQW-NBFOIZRFSA-N 1 2 205.301 2.466 50 0 BEAALO Cc1cccc(OC[C@@H]2C[N@@H+]2C(C)C)c1 ZINC000019853652 179170438 /nfs/dbraw/zinc/17/04/38/179170438.db2.gz XSYUAWLBBBDAQW-NBFOIZRFSA-N 1 2 205.301 2.466 50 0 BEAALO Cc1ccccc1Nc1[nH+]cnc2c1cnn2C ZINC000000838235 179308552 /nfs/dbraw/zinc/30/85/52/179308552.db2.gz HDLMKZFSQQAMKU-UHFFFAOYSA-N 1 2 239.282 2.415 50 0 BEAALO Cc1nc(NCc2ccccn2)c2c([nH+]1)CCC2 ZINC000011907707 180069643 /nfs/dbraw/zinc/06/96/43/180069643.db2.gz FFOBHHKESZMHRD-UHFFFAOYSA-N 1 2 240.310 2.281 50 0 BEAALO Cc1nn(C[NH+]2CCCCC2)c(=S)s1 ZINC000020427162 180389372 /nfs/dbraw/zinc/38/93/72/180389372.db2.gz PJQYESNPYKJLSH-UHFFFAOYSA-N 1 2 229.374 2.426 50 0 BEAALO CCc1c[nH+]ccc1NC(=O)C1(COC)CCC1 ZINC000284415830 351997290 /nfs/dbraw/zinc/99/72/90/351997290.db2.gz RVSNCMBEFZRDKY-UHFFFAOYSA-N 1 2 248.326 2.399 50 0 BEAALO CC[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC000006084783 355844588 /nfs/dbraw/zinc/84/45/88/355844588.db2.gz LVYIHIWNCGZDGT-GFCCVEGCSA-N 1 2 235.331 2.064 50 0 BEAALO CCc1[nH+]ccn1-c1cc(Cl)nc(C)n1 ZINC000052837620 356369740 /nfs/dbraw/zinc/36/97/40/356369740.db2.gz PWJJWJXDCZYLOI-UHFFFAOYSA-N 1 2 222.679 2.187 50 0 BEAALO CCn1ccnc1C[N@@H+]1CCC[C@](C)(F)C1 ZINC000336215532 134136992 /nfs/dbraw/zinc/13/69/92/134136992.db2.gz UIWPSJXFQRSPPD-LBPRGKRZSA-N 1 2 225.311 2.227 50 0 BEAALO CCn1ccnc1C[N@H+]1CCC[C@](C)(F)C1 ZINC000336215532 134136993 /nfs/dbraw/zinc/13/69/93/134136993.db2.gz UIWPSJXFQRSPPD-LBPRGKRZSA-N 1 2 225.311 2.227 50 0 BEAALO C[C@@H](c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000032814512 541501760 /nfs/dbraw/zinc/50/17/60/541501760.db2.gz HOOWODVZLIFDTM-JTQLQIEISA-N 1 2 209.264 2.219 50 0 BEAALO c1coc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000020536614 371292767 /nfs/dbraw/zinc/29/27/67/371292767.db2.gz OVDYXPQHDTUPJK-LLVKDONJSA-N 1 2 231.299 2.382 50 0 BEAALO c1coc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000020536614 371292771 /nfs/dbraw/zinc/29/27/71/371292771.db2.gz OVDYXPQHDTUPJK-LLVKDONJSA-N 1 2 231.299 2.382 50 0 BEAALO Nc1ccc(-n2ncc3ccccc32)c[nH+]1 ZINC000050523797 181697730 /nfs/dbraw/zinc/69/77/30/181697730.db2.gz 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/nfs/dbraw/zinc/14/87/07/972148707.db2.gz RCMVJHANIJZGJL-ZETCQYMHSA-N 1 2 209.318 2.088 50 0 BEAALO CN(C[C@H]1CCCOC1)c1cc[nH+]cc1F ZINC000585118334 398172057 /nfs/dbraw/zinc/17/20/57/398172057.db2.gz KSBSYSUYPIDPBI-SNVBAGLBSA-N 1 2 224.279 2.084 50 0 BEAALO Cc1cc(CO)c(O)c(CCc2ccccc2)[nH+]1 ZINC000000771849 178045943 /nfs/dbraw/zinc/04/59/43/178045943.db2.gz DHWSXBPWCQTICM-UHFFFAOYSA-N 1 2 243.306 2.373 50 0 BEAALO Cc1cc(N)nc(Nc2cccc(F)c2)[nH+]1 ZINC000075156677 178109541 /nfs/dbraw/zinc/10/95/41/178109541.db2.gz YPOMRKLCJKEZDY-UHFFFAOYSA-N 1 2 218.235 2.250 50 0 BEAALO Cc1cc(NC(=O)N2CCO[C@H](C)[C@@H]2C)cc[nH+]1 ZINC000097048794 178138065 /nfs/dbraw/zinc/13/80/65/178138065.db2.gz XONISPZCCCJNSX-WDEREUQCSA-N 1 2 249.314 2.031 50 0 BEAALO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1nc2ccccc2o1 ZINC000036390307 398264668 /nfs/dbraw/zinc/26/46/68/398264668.db2.gz CINYJUGTPIFJQO-MNOVXSKESA-N 1 2 246.310 2.437 50 0 BEAALO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1nc2ccccc2o1 ZINC000036390307 398264671 /nfs/dbraw/zinc/26/46/71/398264671.db2.gz CINYJUGTPIFJQO-MNOVXSKESA-N 1 2 246.310 2.437 50 0 BEAALO Fc1ccc(C[NH+]2CCOCC2)c2ncccc12 ZINC000032824023 342878726 /nfs/dbraw/zinc/87/87/26/342878726.db2.gz HRSHVEYUTVVRIO-UHFFFAOYSA-N 1 2 246.285 2.206 50 0 BEAALO Cc1cn(C)c([C@H](C)NC(=O)OC(C)(C)C)[nH+]1 ZINC000015020949 342890704 /nfs/dbraw/zinc/89/07/04/342890704.db2.gz OOFMNVSHHSUBLC-VIFPVBQESA-N 1 2 239.319 2.314 50 0 BEAALO CCC1(Nc2[nH+]cnc3c2cnn3C)CCCC1 ZINC000382573729 398330810 /nfs/dbraw/zinc/33/08/10/398330810.db2.gz TYDXBULFKIZVME-UHFFFAOYSA-N 1 2 245.330 2.498 50 0 BEAALO c1coc(CN2CC[NH+](Cc3ccco3)CC2)c1 ZINC000019832121 342959207 /nfs/dbraw/zinc/95/92/07/342959207.db2.gz CZPFWOPTJKHIOK-UHFFFAOYSA-N 1 2 246.310 2.190 50 0 BEAALO Nc1nc2ccc(-n3cc[nH+]c3)cc2s1 ZINC000040538982 342971728 /nfs/dbraw/zinc/97/17/28/342971728.db2.gz QLBXOKFVCLZMEM-UHFFFAOYSA-N 1 2 216.269 2.064 50 0 BEAALO Nc1c[nH+]ccc1Oc1ccc2c(c1)OCO2 ZINC000020370834 342984121 /nfs/dbraw/zinc/98/41/21/342984121.db2.gz PHQBTLYSASQGKE-UHFFFAOYSA-N 1 2 230.223 2.185 50 0 BEAALO C[n+]1c2ccccc2sc1SC(=O)O ZINC000005677351 187247691 /nfs/dbraw/zinc/24/76/91/187247691.db2.gz INWBQVSTJJSPOA-UHFFFAOYSA-O 1 2 226.302 2.496 50 0 BEAALO Nc1nc(NCc2ccco2)[nH+]c2ccccc12 ZINC000003084372 343214514 /nfs/dbraw/zinc/21/45/14/343214514.db2.gz RVFTZDVQBKTWGC-UHFFFAOYSA-N 1 2 240.266 2.417 50 0 BEAALO Cc1cn2c(cccc2Br)[nH+]1 ZINC000030677921 343193476 /nfs/dbraw/zinc/19/34/76/343193476.db2.gz MWCDNYHSYJDDJP-UHFFFAOYSA-N 1 2 211.062 2.405 50 0 BEAALO Cc1c(Br)ccc2[nH+]ccn21 ZINC000034466073 187257231 /nfs/dbraw/zinc/25/72/31/187257231.db2.gz UGRZKLCCPTTZKM-UHFFFAOYSA-N 1 2 211.062 2.405 50 0 BEAALO Nc1cc[nH+]c(Sc2ccccn2)c1 ZINC000043569675 343477758 /nfs/dbraw/zinc/47/77/58/343477758.db2.gz FIPQHRLWKOVLQN-UHFFFAOYSA-N 1 2 203.270 2.210 50 0 BEAALO O=C(CCn1cc[nH+]c1)Nc1cccc(F)c1 ZINC000021916638 343778453 /nfs/dbraw/zinc/77/84/53/343778453.db2.gz WKVQAPLVTSEJAP-UHFFFAOYSA-N 1 2 233.246 2.051 50 0 BEAALO CC[C@@H](c1cccnc1)N(C)Cc1[nH]cc[nH+]1 ZINC000065500104 343787618 /nfs/dbraw/zinc/78/76/18/343787618.db2.gz SXTQDVMFFUYTRC-LBPRGKRZSA-N 1 2 230.315 2.388 50 0 BEAALO CC[C@@H](c1cccnc1)[N@H+](C)Cc1ncc[nH]1 ZINC000065500104 343787620 /nfs/dbraw/zinc/78/76/20/343787620.db2.gz SXTQDVMFFUYTRC-LBPRGKRZSA-N 1 2 230.315 2.388 50 0 BEAALO CC[C@@H](c1cccnc1)[N@@H+](C)Cc1ncc[nH]1 ZINC000065500104 343787623 /nfs/dbraw/zinc/78/76/23/343787623.db2.gz SXTQDVMFFUYTRC-LBPRGKRZSA-N 1 2 230.315 2.388 50 0 BEAALO Cc1ccc2oc(=O)cc(Cn3cc[nH+]c3)c2c1 ZINC000011535815 344352416 /nfs/dbraw/zinc/35/24/16/344352416.db2.gz QGBSTUSTJCVXPO-UHFFFAOYSA-N 1 2 240.262 2.346 50 0 biogenic BEAALO C[C@H](CC(=O)N1C[C@H](C)C[C@H](C)C1)n1cc[nH+]c1 ZINC000032719841 344443634 /nfs/dbraw/zinc/44/36/34/344443634.db2.gz SMVYFMQBXXEXOV-FRRDWIJNSA-N 1 2 249.358 2.339 50 0 BEAALO O=C(CC1CCCCC1)N1CC(n2cc[nH+]c2)C1 ZINC000409421611 344968575 /nfs/dbraw/zinc/96/85/75/344968575.db2.gz DLZIOWKKQVXOMU-UHFFFAOYSA-N 1 2 247.342 2.237 50 0 BEAALO CC(C)=CCNc1nc[nH+]c(N)c1Cl ZINC000225491588 187296663 /nfs/dbraw/zinc/29/66/63/187296663.db2.gz BFOVBWISTXTASK-UHFFFAOYSA-N 1 2 212.684 2.090 50 0 BEAALO CC(C)=CCNc1[nH+]cnc(N)c1Cl ZINC000225491588 187296665 /nfs/dbraw/zinc/29/66/65/187296665.db2.gz BFOVBWISTXTASK-UHFFFAOYSA-N 1 2 212.684 2.090 50 0 BEAALO CCn1c2ccccc2[nH+]c1NCc1cc[nH]n1 ZINC000158882249 345759975 /nfs/dbraw/zinc/75/99/75/345759975.db2.gz OFIBHMNICIXLNI-UHFFFAOYSA-N 1 2 241.298 2.391 50 0 BEAALO CCc1nc(COc2ccc(C)[nH+]c2CC)no1 ZINC000190778972 345984684 /nfs/dbraw/zinc/98/46/84/345984684.db2.gz FOZCHHCTNQNZBN-UHFFFAOYSA-N 1 2 247.298 2.477 50 0 BEAALO Cc1cccc2[nH+]c(CSc3cn[nH]n3)cn21 ZINC000098019226 179230576 /nfs/dbraw/zinc/23/05/76/179230576.db2.gz UAXPEWKAERVGGC-UHFFFAOYSA-N 1 2 245.311 2.053 50 0 BEAALO Cc1cccc2[nH+]c(CSc3c[nH]nn3)cn21 ZINC000098019226 179230578 /nfs/dbraw/zinc/23/05/78/179230578.db2.gz UAXPEWKAERVGGC-UHFFFAOYSA-N 1 2 245.311 2.053 50 0 BEAALO Cc1cccn2cc(CNC(=O)C(C)(C)C)[nH+]c12 ZINC000002960804 179357419 /nfs/dbraw/zinc/35/74/19/179357419.db2.gz YCJLKBSKBMTBHR-UHFFFAOYSA-N 1 2 245.326 2.305 50 0 BEAALO Cc1cn2ccc(Br)cc2[nH+]1 ZINC000082373790 179567966 /nfs/dbraw/zinc/56/79/66/179567966.db2.gz WUWNXFKNYAWAAZ-UHFFFAOYSA-N 1 2 211.062 2.405 50 0 BEAALO CCCc1cnc(C)nc1N(C)Cc1[nH]cc[nH+]1 ZINC000065509352 191001695 /nfs/dbraw/zinc/00/16/95/191001695.db2.gz NVRDPVIRIYZRMX-UHFFFAOYSA-N 1 2 245.330 2.097 50 0 BEAALO CC[C@H]1CC(=O)NCc2[nH+]c3c(C)cccn3c21 ZINC000065530272 191001736 /nfs/dbraw/zinc/00/17/36/191001736.db2.gz BUATYSAFMYFDCD-JTQLQIEISA-N 1 2 243.310 2.156 50 0 BEAALO Cc1[nH]c2ccc(NC(=O)C3CC3)cc2[nH+]1 ZINC000065006698 180082663 /nfs/dbraw/zinc/08/26/63/180082663.db2.gz KPNXASAJEYFKQW-UHFFFAOYSA-N 1 2 215.256 2.220 50 0 BEAALO Cc1[nH]c2ccc(NC(=O)C(F)(F)F)cc2[nH+]1 ZINC000005490244 180095070 /nfs/dbraw/zinc/09/50/70/180095070.db2.gz TWJTYJSTUNWJHC-UHFFFAOYSA-N 1 2 243.188 2.372 50 0 BEAALO Cc1nc(N[C@H]2CCCCC[C@@H]2CO)cc[nH+]1 ZINC000097014137 180205199 /nfs/dbraw/zinc/20/51/99/180205199.db2.gz YOYHOGQSPJEWKD-NEPJUHHUSA-N 1 2 235.331 2.138 50 0 BEAALO Cc1nc(Cn2c[nH+]c3cc(C)c(C)cc32)no1 ZINC000041146299 350473316 /nfs/dbraw/zinc/47/33/16/350473316.db2.gz NOJMYINNMIWKLS-UHFFFAOYSA-N 1 2 242.282 2.393 50 0 BEAALO Clc1ccccc1NCC[NH+]1CCOCC1 ZINC000020052085 180596164 /nfs/dbraw/zinc/59/61/64/180596164.db2.gz GYOPGWDIAZHFQJ-UHFFFAOYSA-N 1 2 240.734 2.084 50 0 BEAALO Cc1cc(C)c(NC(=O)Cn2cc[nH+]c2)c(C)c1 ZINC000010809334 187931617 /nfs/dbraw/zinc/93/16/17/187931617.db2.gz OUXIDOMJVOPAFT-UHFFFAOYSA-N 1 2 243.310 2.447 50 0 BEAALO CC(=O)c1c(C)[nH+]c2sccc2c1N ZINC000000346517 188273586 /nfs/dbraw/zinc/27/35/86/188273586.db2.gz ZQEOHMVEKSWEDO-UHFFFAOYSA-N 1 2 206.270 2.390 50 0 BEAALO CC(C)(O)[C@@H]1CCCN1c1[nH]c2ccccc2[nH+]1 ZINC000302111901 188336673 /nfs/dbraw/zinc/33/66/73/188336673.db2.gz ATKHEVFMMKJTNH-LBPRGKRZSA-N 1 2 245.326 2.303 50 0 BEAALO C/C(=C\c1ccccc1)C[N@@H+](C)Cc1nnc[nH]1 ZINC000179795020 188343663 /nfs/dbraw/zinc/34/36/63/188343663.db2.gz SWOZNTUCRURKQF-XYOKQWHBSA-N 1 2 242.326 2.340 50 0 BEAALO C/C(=C\c1ccccc1)C[N@H+](C)Cc1nnc[nH]1 ZINC000179795020 188343664 /nfs/dbraw/zinc/34/36/64/188343664.db2.gz SWOZNTUCRURKQF-XYOKQWHBSA-N 1 2 242.326 2.340 50 0 BEAALO Cc1ccc(OCC[NH+]2CCOCC2)cc1C ZINC000019638436 188349633 /nfs/dbraw/zinc/34/96/33/188349633.db2.gz FOGHINOQQGKSDD-UHFFFAOYSA-N 1 2 235.327 2.014 50 0 BEAALO CCOC(=O)c1csc(C[NH+](CC)CC)n1 ZINC000045206593 356471467 /nfs/dbraw/zinc/47/14/67/356471467.db2.gz OGPGYSWBRBAURZ-UHFFFAOYSA-N 1 2 242.344 2.162 50 0 BEAALO FC(F)(Br)C(F)(F)n1cc[nH+]c1 ZINC000584612901 358276811 /nfs/dbraw/zinc/27/68/11/358276811.db2.gz WHWVFYIPMIWMMK-UHFFFAOYSA-N 1 2 246.989 2.420 50 0 BEAALO C[C@@H](CC(=O)N1C[C@H](C)C[C@H](C)C1)n1cc[nH+]c1 ZINC000578917666 366674141 /nfs/dbraw/zinc/67/41/41/366674141.db2.gz SMVYFMQBXXEXOV-XQQFMLRXSA-N 1 2 249.358 2.339 50 0 BEAALO CN(Cc1[nH]cc[nH+]1)c1nc2ccccc2o1 ZINC000095398669 360336830 /nfs/dbraw/zinc/33/68/30/360336830.db2.gz JQHHUZNJTBPUMV-UHFFFAOYSA-N 1 2 228.255 2.187 50 0 BEAALO Cc1cc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)no1 ZINC000095422794 360337290 /nfs/dbraw/zinc/33/72/90/360337290.db2.gz JCKQUDUKVOYQHP-LBPRGKRZSA-N 1 2 246.314 2.433 50 0 BEAALO Cc1nc(C[NH2+]Cc2cccnc2C)oc1C ZINC000170087168 361390305 /nfs/dbraw/zinc/39/03/05/361390305.db2.gz LQSVJPIYYBTOGG-UHFFFAOYSA-N 1 2 231.299 2.285 50 0 BEAALO CC(C)c1[nH+]ccn1-c1cncc(Cl)n1 ZINC000037066130 368859066 /nfs/dbraw/zinc/85/90/66/368859066.db2.gz BVZFIUFUONGKFZ-UHFFFAOYSA-N 1 2 222.679 2.439 50 0 BEAALO Nc1ccc(OCc2ccccc2)c[nH+]1 ZINC000019868916 181722959 /nfs/dbraw/zinc/72/29/59/181722959.db2.gz KMWUTRXLBBOIJE-UHFFFAOYSA-N 1 2 200.241 2.243 50 0 BEAALO Cn1cc[nH+]c1-c1ccc(C=O)c(F)c1 ZINC000069028038 373107798 /nfs/dbraw/zinc/10/77/98/373107798.db2.gz PZYRZMAIAXHSRK-UHFFFAOYSA-N 1 2 204.204 2.039 50 0 BEAALO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)C1CC1 ZINC000040488991 182269083 /nfs/dbraw/zinc/26/90/83/182269083.db2.gz XSIZIRDUFQNUFC-UHFFFAOYSA-N 1 2 249.701 2.014 50 0 BEAALO OCC[NH2+]/C=C1/c2ccccc2-c2ncccc21 ZINC000013563313 183071886 /nfs/dbraw/zinc/07/18/86/183071886.db2.gz MSESDOVQCXMLHM-UVTDQMKNSA-N 1 2 238.290 2.033 50 0 BEAALO c1cn(-c2cccc(OC[C@@H]3CCOC3)c2)c[nH+]1 ZINC000078990678 183358120 /nfs/dbraw/zinc/35/81/20/183358120.db2.gz VCNARCVJXBFPKL-GFCCVEGCSA-N 1 2 244.294 2.288 50 0 BEAALO CCCOc1ccccc1[C@H]([NH3+])C(=O)OCC ZINC000022204482 169328097 /nfs/dbraw/zinc/32/80/97/169328097.db2.gz GMLKYGMJVDFHKI-LBPRGKRZSA-N 1 2 237.299 2.038 50 0 BEAALO CC[C@H](C)[C@H]([NH2+]Cc1ccccc1)C(=O)OC ZINC000002583979 383981383 /nfs/dbraw/zinc/98/13/83/383981383.db2.gz PTFWBRJIWLYMTF-AAEUAGOBSA-N 1 2 235.327 2.364 50 0 BEAALO CNc1cc(C)c(Br)c[nH+]1 ZINC000040456702 384153913 /nfs/dbraw/zinc/15/39/13/384153913.db2.gz DRIWBIDASVEIBC-UHFFFAOYSA-N 1 2 201.067 2.194 50 0 BEAALO Nc1ccc(C[C@@H]2COc3ccccc3C2)[nH+]c1 ZINC000092080522 384162598 /nfs/dbraw/zinc/16/25/98/384162598.db2.gz GLENTLCQMCPIBN-LLVKDONJSA-N 1 2 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/nfs/dbraw/zinc/78/19/18/988781918.db2.gz PMJSHIAEYUGOSV-SNVBAGLBSA-N 1 2 236.290 2.167 50 0 BEAALO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]2C)cc1F ZINC001506418279 988781930 /nfs/dbraw/zinc/78/19/30/988781930.db2.gz PMJSHIAEYUGOSV-SNVBAGLBSA-N 1 2 236.290 2.167 50 0 BEAALO Cc1cc(C[NH2+][C@@H](CCO)c2ccccc2)no1 ZINC000095984411 178030383 /nfs/dbraw/zinc/03/03/83/178030383.db2.gz KQYQBNAGSQQZLM-AWEZNQCLSA-N 1 2 246.310 2.196 50 0 BEAALO Cc1cc(N(CCCO)CC(C)(C)C)nc[nH+]1 ZINC000095975481 178102777 /nfs/dbraw/zinc/10/27/77/178102777.db2.gz BIQQDIVEGOQFBO-UHFFFAOYSA-N 1 2 237.347 2.020 50 0 BEAALO Cc1cc(N)nc(SCC(=O)C(C)(C)C)[nH+]1 ZINC000031745556 178110057 /nfs/dbraw/zinc/11/00/57/178110057.db2.gz GRPPKFKQCYTQGB-UHFFFAOYSA-N 1 2 239.344 2.075 50 0 BEAALO Cc1cc(NC(=O)N2CCO[C@@H](C)[C@H]2C)cc[nH+]1 ZINC000097048797 178137462 /nfs/dbraw/zinc/13/74/62/178137462.db2.gz XONISPZCCCJNSX-MNOVXSKESA-N 1 2 249.314 2.031 50 0 BEAALO CC[C@@H](C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000170593470 361765429 /nfs/dbraw/zinc/76/54/29/361765429.db2.gz ITVUUQNFTJKCNP-GFCCVEGCSA-N 1 2 246.354 2.165 50 0 BEAALO CC(=O)c1ccc(F)cc1NCc1[nH+]ccn1C ZINC000170594128 361766688 /nfs/dbraw/zinc/76/66/88/361766688.db2.gz FDTFFCMFRHZDJW-UHFFFAOYSA-N 1 2 247.273 2.374 50 0 BEAALO Cc1cc([C@H]2CCC[N@H+]2Cc2nnc(C)o2)on1 ZINC000048275672 178267672 /nfs/dbraw/zinc/26/76/72/178267672.db2.gz RIWBXPROZQXCIW-SNVBAGLBSA-N 1 2 248.286 2.012 50 0 BEAALO Cc1cc([C@H]2CCC[N@@H+]2Cc2nnc(C)o2)on1 ZINC000048275672 178267675 /nfs/dbraw/zinc/26/76/75/178267675.db2.gz RIWBXPROZQXCIW-SNVBAGLBSA-N 1 2 248.286 2.012 50 0 BEAALO Cc1cc2[nH+]cn(CCC3OCCO3)c2cc1C ZINC000120143604 178305423 /nfs/dbraw/zinc/30/54/23/178305423.db2.gz OHTPPDAGTDRSOB-UHFFFAOYSA-N 1 2 246.310 2.416 50 0 BEAALO CCc1nc2sc3c(c2c(NN)[nH+]1)CCCC3 ZINC000000081215 342673259 /nfs/dbraw/zinc/67/32/59/342673259.db2.gz URJKUEBEEOHZFE-UHFFFAOYSA-N 1 2 248.355 2.418 50 0 BEAALO Nc1ccc2[nH]c(-c3cccnc3)[nH+]c2c1 ZINC000006493908 342778559 /nfs/dbraw/zinc/77/85/59/342778559.db2.gz PZIMYJGAHSBALP-UHFFFAOYSA-N 1 2 210.240 2.207 50 0 BEAALO COC(=O)C[N@@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000054992645 398284918 /nfs/dbraw/zinc/28/49/18/398284918.db2.gz ZZERTFOAAKLPRA-ZDUSSCGKSA-N 1 2 249.310 2.005 50 0 BEAALO COC(=O)C[N@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000054992645 398284921 /nfs/dbraw/zinc/28/49/21/398284921.db2.gz ZZERTFOAAKLPRA-ZDUSSCGKSA-N 1 2 249.310 2.005 50 0 BEAALO O=C(C[NH+]1CCCCC1)c1ccccc1F ZINC000003291387 342789025 /nfs/dbraw/zinc/78/90/25/342789025.db2.gz CNJQXAAQKCJEDB-UHFFFAOYSA-N 1 2 221.275 2.494 50 0 BEAALO NNc1nc(-c2ccc(Cl)cc2)cc[nH+]1 ZINC000012394968 342851113 /nfs/dbraw/zinc/85/11/13/342851113.db2.gz XYFQIBCQEKZHNQ-UHFFFAOYSA-N 1 2 220.663 2.083 50 0 BEAALO Cc1c[nH+]c([C@H](C)NC(=O)OC(C)(C)C)n1C ZINC000015020953 342890598 /nfs/dbraw/zinc/89/05/98/342890598.db2.gz KYFYBQGIYQMLJJ-VIFPVBQESA-N 1 2 239.319 2.314 50 0 BEAALO Cc1cn(C)c([C@@H](C)NC(=O)OC(C)(C)C)[nH+]1 ZINC000015020947 342890683 /nfs/dbraw/zinc/89/06/83/342890683.db2.gz OOFMNVSHHSUBLC-SECBINFHSA-N 1 2 239.319 2.314 50 0 BEAALO FC(F)C1CC[NH+](Cc2ccon2)CC1 ZINC000336597050 398323021 /nfs/dbraw/zinc/32/30/21/398323021.db2.gz KYEIFIVDAPZTMU-UHFFFAOYSA-N 1 2 216.231 2.152 50 0 BEAALO COC(=O)[C@@H]([NH3+])c1cccc2ccccc21 ZINC000020157509 342973150 /nfs/dbraw/zinc/97/31/50/342973150.db2.gz LTASPYVMQCESLM-LBPRGKRZSA-N 1 2 215.252 2.013 50 0 BEAALO COC(=O)[C@@H]([NH3+])c1ccc2ccccc2c1 ZINC000020169373 342973935 /nfs/dbraw/zinc/97/39/35/342973935.db2.gz OWSZMZAENZHDLB-LBPRGKRZSA-N 1 2 215.252 2.013 50 0 biogenic BEAALO CCCC(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000028093170 343127296 /nfs/dbraw/zinc/12/72/96/343127296.db2.gz LSTIZRGVNKZERG-UHFFFAOYSA-N 1 2 230.271 2.006 50 0 BEAALO COC(=O)[C@@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000043534389 343131622 /nfs/dbraw/zinc/13/16/22/343131622.db2.gz QBKJMUSSIKUHBP-VXGBXAGGSA-N 1 2 235.327 2.331 50 0 BEAALO CC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000029402411 343139380 /nfs/dbraw/zinc/13/93/80/343139380.db2.gz PWMHCCVSNRLGBC-LLVKDONJSA-N 1 2 243.310 2.401 50 0 BEAALO CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000023693205 187254789 /nfs/dbraw/zinc/25/47/89/187254789.db2.gz TZXKZXHBLHWCAL-UHFFFAOYSA-N 1 2 239.344 2.087 50 0 BEAALO Nc1cccc(-c2ccc3c(c2)CCO3)[nH+]1 ZINC000038069359 343368414 /nfs/dbraw/zinc/36/84/14/343368414.db2.gz MKFSVXHOIRWNFF-UHFFFAOYSA-N 1 2 212.252 2.266 50 0 BEAALO CCCc1cnc(C)nc1NCCc1c[nH]c[nH+]1 ZINC000065531239 187273873 /nfs/dbraw/zinc/27/38/73/187273873.db2.gz VCDRSGPIGSRSSX-UHFFFAOYSA-N 1 2 245.330 2.115 50 0 BEAALO CC(=O)Nc1cccc(-c2cc[nH+]c(N)c2)c1 ZINC000065533486 187274129 /nfs/dbraw/zinc/27/41/29/187274129.db2.gz YSHRWCJCOHBHSU-UHFFFAOYSA-N 1 2 227.267 2.289 50 0 BEAALO Cc1nc(N2C[C@H]3CC=CC[C@@H]3C2)cc[nH+]1 ZINC000097212661 344096803 /nfs/dbraw/zinc/09/68/03/344096803.db2.gz YCZQDJZEXXTTIG-VXGBXAGGSA-N 1 2 215.300 2.187 50 0 BEAALO Cc1nc(N2C[C@@H]3CC=CC[C@H]3C2)cc[nH+]1 ZINC000097212662 344096814 /nfs/dbraw/zinc/09/68/14/344096814.db2.gz YCZQDJZEXXTTIG-RYUDHWBXSA-N 1 2 215.300 2.187 50 0 BEAALO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cnoc2)on1 ZINC000685945209 537934903 /nfs/dbraw/zinc/93/49/03/537934903.db2.gz ZEEVQNAWRMZPIT-NSHDSACASA-N 1 2 233.271 2.308 50 0 BEAALO Cc1cc([C@@H]2CCC[N@H+]2Cc2cnoc2)on1 ZINC000685945209 537934904 /nfs/dbraw/zinc/93/49/04/537934904.db2.gz ZEEVQNAWRMZPIT-NSHDSACASA-N 1 2 233.271 2.308 50 0 BEAALO Cc1cccc(C(=O)Cc2[nH]cc[nH+]2)c1 ZINC000036946668 179004126 /nfs/dbraw/zinc/00/41/26/179004126.db2.gz KCFPQKCYLRGFFL-UHFFFAOYSA-N 1 2 200.241 2.144 50 0 BEAALO Cc1cccc(OC/C=C/C[NH+]2CCOCC2)c1 ZINC000016622344 179161496 /nfs/dbraw/zinc/16/14/96/179161496.db2.gz XWBUVGUWXFRDOE-NSCUHMNNSA-N 1 2 247.338 2.262 50 0 BEAALO Cc1ccccc1C(=O)NCCCn1cc[nH+]c1 ZINC000002742563 179249137 /nfs/dbraw/zinc/24/91/37/179249137.db2.gz CUZIUQUKUKHCBO-UHFFFAOYSA-N 1 2 243.310 2.012 50 0 BEAALO Cc1[nH]ncc1C[NH2+]Cc1ccccc1C ZINC000037502778 179281994 /nfs/dbraw/zinc/28/19/94/179281994.db2.gz ZBJFXUKAXNAJLA-UHFFFAOYSA-N 1 2 215.300 2.316 50 0 BEAALO Cc1[nH+]c2ccccc2n1[C@H]1CCC[C@@H]1O ZINC000037489908 180103425 /nfs/dbraw/zinc/10/34/25/180103425.db2.gz BMHILEJFLIAHKZ-STQMWFEESA-N 1 2 216.284 2.431 50 0 BEAALO Cc1nc(NC[C@@]2(O)CCCC2(C)C)cc[nH+]1 ZINC000292644739 180201049 /nfs/dbraw/zinc/20/10/49/180201049.db2.gz BGHWJORJVAGMKC-ZDUSSCGKSA-N 1 2 235.331 2.138 50 0 BEAALO Cc1cccc(NC=C2C[C@H](C)OC2=O)[nH+]1 ZINC000211081465 351044384 /nfs/dbraw/zinc/04/43/84/351044384.db2.gz MONSXXXKUNCVOP-HZAKCSEPSA-N 1 2 218.256 2.021 50 0 BEAALO Cc1ccc(C[N@@H+](C)[C@H]2C[C@H](C)OC2=O)cc1 ZINC000040023626 351291152 /nfs/dbraw/zinc/29/11/52/351291152.db2.gz JGXXCINWJJLPKY-AAEUAGOBSA-N 1 2 233.311 2.131 50 0 BEAALO Cc1ccc(C[N@H+](C)[C@H]2C[C@H](C)OC2=O)cc1 ZINC000040023626 351291157 /nfs/dbraw/zinc/29/11/57/351291157.db2.gz JGXXCINWJJLPKY-AAEUAGOBSA-N 1 2 233.311 2.131 50 0 BEAALO CC(C)(C)c1cnc(COCc2[nH]cc[nH+]2)o1 ZINC000096494655 191142312 /nfs/dbraw/zinc/14/23/12/191142312.db2.gz WFYZRIDGHLQIDJ-UHFFFAOYSA-N 1 2 235.287 2.412 50 0 BEAALO CC(C)=CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000240002272 188258803 /nfs/dbraw/zinc/25/88/03/188258803.db2.gz PQWZGFLDDWNUFW-CYBMUJFWSA-N 1 2 246.310 2.028 50 0 BEAALO CCNc1[nH+]cc(Br)c(C)c1N ZINC000095494847 188320328 /nfs/dbraw/zinc/32/03/28/188320328.db2.gz NAWJKEGDYTYRTG-UHFFFAOYSA-N 1 2 230.109 2.167 50 0 BEAALO C[C@H](CC(=O)Nc1ccccc1)n1cc[nH+]c1 ZINC000006908565 361127205 /nfs/dbraw/zinc/12/72/05/361127205.db2.gz GPXFAKIOKWJEMV-LLVKDONJSA-N 1 2 229.283 2.473 50 0 BEAALO Cc1ccc(F)c(N(C#N)Cc2[nH+]ccn2C)c1 ZINC000095412679 541306161 /nfs/dbraw/zinc/30/61/61/541306161.db2.gz QPGQIABNKOWNAZ-UHFFFAOYSA-N 1 2 244.273 2.355 50 0 BEAALO CCN1c2ccccc2/C(=C2\CCC[N@@H+]2C)C1=O ZINC000012403104 370865793 /nfs/dbraw/zinc/86/57/93/370865793.db2.gz RCFAPCDITVAPQB-YPKPFQOOSA-N 1 2 242.322 2.490 50 0 biogenic BEAALO CCN1c2ccccc2/C(=C2\CCC[N@H+]2C)C1=O ZINC000012403104 370865798 /nfs/dbraw/zinc/86/57/98/370865798.db2.gz RCFAPCDITVAPQB-YPKPFQOOSA-N 1 2 242.322 2.490 50 0 biogenic BEAALO Cc1cc(C)cc(OCC[n+]2cccc(O)c2)c1 ZINC000029563347 371781134 /nfs/dbraw/zinc/78/11/34/371781134.db2.gz LQAWAGTXSZNJES-UHFFFAOYSA-O 1 2 244.314 2.376 50 0 BEAALO O=C(Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000000377467 182071576 /nfs/dbraw/zinc/07/15/76/182071576.db2.gz PWFVNVYRKXDPGV-UHFFFAOYSA-N 1 2 220.659 2.419 50 0 BEAALO CCCCn1c2ccccc2[nH+]c1NCCO ZINC000002487879 169035129 /nfs/dbraw/zinc/03/51/29/169035129.db2.gz DQRYCBUYLNZQGH-UHFFFAOYSA-N 1 2 233.315 2.241 50 0 aggregator BEAALO Oc1cccc(CNc2cccc[nH+]2)c1 ZINC000019776920 183291338 /nfs/dbraw/zinc/29/13/38/183291338.db2.gz ZGLJYAOGVJLKLM-UHFFFAOYSA-N 1 2 200.241 2.399 50 0 BEAALO S=C(NC1=[NH+]CCS1)Nc1ccccc1 ZINC000000439037 183311399 /nfs/dbraw/zinc/31/13/99/183311399.db2.gz GWKKBCUYRXAISW-UHFFFAOYSA-N 1 2 237.353 2.076 50 0 BEAALO CCCNC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000032497903 169233316 /nfs/dbraw/zinc/23/33/16/169233316.db2.gz JYCQRLLHMRITDH-UHFFFAOYSA-N 1 2 245.326 2.125 50 0 BEAALO c1cc(-c2ccc(-n3cc[nH+]c3)cc2)n[nH]1 ZINC000001402339 183466339 /nfs/dbraw/zinc/46/63/39/183466339.db2.gz UFXSELGOGDVWDO-UHFFFAOYSA-N 1 2 210.240 2.262 50 0 BEAALO COC(=O)C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000096742746 383916195 /nfs/dbraw/zinc/91/61/95/383916195.db2.gz CMVFFHQNGPTDLD-QMMMGPOBSA-N 1 2 243.253 2.131 50 0 BEAALO COC(=O)C[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000096742746 383916202 /nfs/dbraw/zinc/91/62/02/383916202.db2.gz CMVFFHQNGPTDLD-QMMMGPOBSA-N 1 2 243.253 2.131 50 0 BEAALO Nc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1 ZINC000001672923 383920319 /nfs/dbraw/zinc/92/03/19/383920319.db2.gz NTRNCDBHKIJOLA-UHFFFAOYSA-N 1 2 245.673 2.051 50 0 BEAALO Cc1cn(Cc2nc(-c3ccccc3)no2)c[nH+]1 ZINC000071777368 384177953 /nfs/dbraw/zinc/17/79/53/384177953.db2.gz IJNZFJCXHKUONT-UHFFFAOYSA-N 1 2 240.266 2.290 50 0 BEAALO CCc1cc(N(C)CC2(CO)CCCC2)nc[nH+]1 ZINC000095376078 384372493 /nfs/dbraw/zinc/37/24/93/384372493.db2.gz BSFFWIUDZZFONO-UHFFFAOYSA-N 1 2 249.358 2.028 50 0 BEAALO COC(=O)c1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC000016946530 384473430 /nfs/dbraw/zinc/47/34/30/384473430.db2.gz PTTPOCCDBYFBGP-UHFFFAOYSA-N 1 2 228.251 2.117 50 0 BEAALO Cn1c[nH+]cc1[C@@H](O)CCc1ccccc1 ZINC000082238045 384651190 /nfs/dbraw/zinc/65/11/90/384651190.db2.gz VULNFYJJEVKDEJ-ZDUSSCGKSA-N 1 2 216.284 2.086 50 0 BEAALO Fc1ccc2oc(N3CCCC[NH2+]3)nc2c1 ZINC000289176040 385186276 /nfs/dbraw/zinc/18/62/76/385186276.db2.gz RKLMUFIOMHSVKB-UHFFFAOYSA-N 1 2 221.235 2.072 50 0 BEAALO Cc1ccc([C@@H](C)[NH2+]Cc2nnnn2C(C)C)o1 ZINC000096502743 385240889 /nfs/dbraw/zinc/24/08/89/385240889.db2.gz DYGSMQNASQYATI-SNVBAGLBSA-N 1 2 249.318 2.006 50 0 BEAALO Fc1ccc([C@@H]2CCN2Cc2[nH]cc[nH+]2)cc1 ZINC000065492884 385316627 /nfs/dbraw/zinc/31/66/27/385316627.db2.gz SSCGTYNRZXNWPN-LBPRGKRZSA-N 1 2 231.274 2.496 50 0 BEAALO Cc1occc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000355350049 385706903 /nfs/dbraw/zinc/70/69/03/385706903.db2.gz XWYWTPLZMIQFHW-UHFFFAOYSA-N 1 2 241.250 2.488 50 0 BEAALO Cn1c[nH+]cc1CN1CCC[C@@H]1c1nccs1 ZINC000215765396 385849559 /nfs/dbraw/zinc/84/95/59/385849559.db2.gz COOMBFXBDAPWFD-LLVKDONJSA-N 1 2 248.355 2.214 50 0 BEAALO c1cn(-c2ncnc3sc4c(c32)CCC4)c[nH+]1 ZINC000006909681 385862850 /nfs/dbraw/zinc/86/28/50/385862850.db2.gz OLHBTWIBSUGSEH-UHFFFAOYSA-N 1 2 242.307 2.366 50 0 BEAALO CSc1ncc(C[N@H+](C)Cc2ccoc2)cn1 ZINC000219625363 385940844 /nfs/dbraw/zinc/94/08/44/385940844.db2.gz GBCMPERXPDRSDD-UHFFFAOYSA-N 1 2 249.339 2.424 50 0 BEAALO CSc1ncc(C[N@@H+](C)Cc2ccoc2)cn1 ZINC000219625363 385940851 /nfs/dbraw/zinc/94/08/51/385940851.db2.gz GBCMPERXPDRSDD-UHFFFAOYSA-N 1 2 249.339 2.424 50 0 BEAALO FC(F)(F)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000334467507 386138775 /nfs/dbraw/zinc/13/87/75/386138775.db2.gz FBFATWHBILVILD-ZETCQYMHSA-N 1 2 219.210 2.109 50 0 BEAALO CSCC[C@@H](C)N(C)c1cc[nH+]c(C)n1 ZINC000074770149 387035241 /nfs/dbraw/zinc/03/52/41/387035241.db2.gz MSZQJHRZKKJWOY-SECBINFHSA-N 1 2 225.361 2.363 50 0 BEAALO C[N@H+](Cc1cccc(Cl)c1)[C@H]1CCOC1=O ZINC000089361508 387298798 /nfs/dbraw/zinc/29/87/98/387298798.db2.gz KZZBFSSWMCQOGB-NSHDSACASA-N 1 2 239.702 2.087 50 0 BEAALO C[N@@H+](Cc1cccc(Cl)c1)[C@H]1CCOC1=O ZINC000089361508 387298802 /nfs/dbraw/zinc/29/88/02/387298802.db2.gz KZZBFSSWMCQOGB-NSHDSACASA-N 1 2 239.702 2.087 50 0 BEAALO Cc1noc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000065549886 387979295 /nfs/dbraw/zinc/97/92/95/387979295.db2.gz VXENOVPWFXCUJY-QMMMGPOBSA-N 1 2 249.236 2.152 50 0 BEAALO Cc1noc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000065549886 387979298 /nfs/dbraw/zinc/97/92/98/387979298.db2.gz VXENOVPWFXCUJY-QMMMGPOBSA-N 1 2 249.236 2.152 50 0 BEAALO C[N@H+](CCOc1ccccc1)Cc1cocn1 ZINC000170607007 388245758 /nfs/dbraw/zinc/24/57/58/388245758.db2.gz ZBDKJNASTVONEP-UHFFFAOYSA-N 1 2 232.283 2.185 50 0 BEAALO C[N@@H+](CCOc1ccccc1)Cc1cocn1 ZINC000170607007 388245759 /nfs/dbraw/zinc/24/57/59/388245759.db2.gz ZBDKJNASTVONEP-UHFFFAOYSA-N 1 2 232.283 2.185 50 0 BEAALO CNc1ccc(Nc2cc(C)nc(C)n2)c[nH+]1 ZINC000131595971 388347150 /nfs/dbraw/zinc/34/71/50/388347150.db2.gz YDAPRVATNWVMRP-UHFFFAOYSA-N 1 2 229.287 2.274 50 0 BEAALO c1ccc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)[nH+]c1 ZINC000089883884 388370387 /nfs/dbraw/zinc/37/03/87/388370387.db2.gz WSGJFAJTPSMXBT-UTUOFQBUSA-N 1 2 218.300 2.451 50 0 BEAALO Cn1cnn(C[N@H+](C)Cc2ccccc2)c1=S ZINC000003258000 388370848 /nfs/dbraw/zinc/37/08/48/388370848.db2.gz KAGXRWFHLZMNOP-UHFFFAOYSA-N 1 2 248.355 2.041 50 0 BEAALO Cn1cnn(C[N@@H+](C)Cc2ccccc2)c1=S ZINC000003258000 388370851 /nfs/dbraw/zinc/37/08/51/388370851.db2.gz KAGXRWFHLZMNOP-UHFFFAOYSA-N 1 2 248.355 2.041 50 0 BEAALO COC(=O)c1cccc(-c2c[nH]c(C)[nH+]2)c1 ZINC000032511809 388398837 /nfs/dbraw/zinc/39/88/37/388398837.db2.gz YZYYWDBMSVQPMN-UHFFFAOYSA-N 1 2 216.240 2.172 50 0 BEAALO COC(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000055506535 388463101 /nfs/dbraw/zinc/46/31/01/388463101.db2.gz BFZWFTYQVMTZEB-LBPRGKRZSA-N 1 2 237.274 2.136 50 0 BEAALO COC(=O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000055506535 388463102 /nfs/dbraw/zinc/46/31/02/388463102.db2.gz BFZWFTYQVMTZEB-LBPRGKRZSA-N 1 2 237.274 2.136 50 0 BEAALO Fc1cccc(C[NH+]2CC(n3cccn3)C2)c1 ZINC000069738505 388425768 /nfs/dbraw/zinc/42/57/68/388425768.db2.gz QPFHZNVVSIOWOQ-UHFFFAOYSA-N 1 2 231.274 2.079 50 0 BEAALO c1ccc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)[nH+]c1 ZINC000242147494 388595579 /nfs/dbraw/zinc/59/55/79/388595579.db2.gz WSGJFAJTPSMXBT-TUAOUCFPSA-N 1 2 218.300 2.451 50 0 BEAALO CCOc1ccccc1N(C)Cc1[nH+]ccn1C ZINC000095974428 388797114 /nfs/dbraw/zinc/79/71/14/388797114.db2.gz NNTDHFTTYSMRGC-UHFFFAOYSA-N 1 2 245.326 2.455 50 0 BEAALO Cc1nc(N2CCC(F)(F)[C@H](C)C2)cc[nH+]1 ZINC000334387092 135383369 /nfs/dbraw/zinc/38/33/69/135383369.db2.gz OSAOPOKJUDWXDA-MRVPVSSYSA-N 1 2 227.258 2.267 50 0 BEAALO CC(C)c1noc([C@@H](C)[NH+]2CCSCC2)n1 ZINC000047986444 411168571 /nfs/dbraw/zinc/16/85/71/411168571.db2.gz CKMWLWJGLZQPOZ-SECBINFHSA-N 1 2 241.360 2.303 50 0 BEAALO Cc1c[nH+]c(C)nc1NCC1(CO)CCCC1 ZINC000534660325 411493260 /nfs/dbraw/zinc/49/32/60/411493260.db2.gz VBKDDSXEEXGHTR-UHFFFAOYSA-N 1 2 235.331 2.058 50 0 BEAALO CCOC(=O)Cc1[nH]c2cc(C)c(C)cc2[nH+]1 ZINC000034251280 170236709 /nfs/dbraw/zinc/23/67/09/170236709.db2.gz HJEFOTGDLMGZFW-UHFFFAOYSA-N 1 2 232.283 2.285 50 0 BEAALO CCOC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000043638480 170247167 /nfs/dbraw/zinc/24/71/67/170247167.db2.gz UVUIFQSYHWKBHE-LLVKDONJSA-N 1 2 221.300 2.070 50 0 BEAALO CCOC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000043638480 170247168 /nfs/dbraw/zinc/24/71/68/170247168.db2.gz UVUIFQSYHWKBHE-LLVKDONJSA-N 1 2 221.300 2.070 50 0 BEAALO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccoc1 ZINC000055543137 170280270 /nfs/dbraw/zinc/28/02/70/170280270.db2.gz XJUJGTBKFHCQLX-GFCCVEGCSA-N 1 2 237.299 2.197 50 0 BEAALO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccoc1 ZINC000055543137 170280271 /nfs/dbraw/zinc/28/02/71/170280271.db2.gz XJUJGTBKFHCQLX-GFCCVEGCSA-N 1 2 237.299 2.197 50 0 BEAALO CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N ZINC000012422091 170302213 /nfs/dbraw/zinc/30/22/13/170302213.db2.gz KWSSHDCTTIZJJQ-UHFFFAOYSA-N 1 2 246.266 2.002 50 0 BEAALO CCc1[nH+]cc([C@H](O)c2ccccc2OC)n1C ZINC000000237791 172023452 /nfs/dbraw/zinc/02/34/52/172023452.db2.gz ZTAYCNWHQGGYQX-CQSZACIVSA-N 1 2 246.310 2.073 50 0 BEAALO COc1cc2c(cc1OC)C(C)=[NH+]CC2 ZINC000001667098 175024438 /nfs/dbraw/zinc/02/44/38/175024438.db2.gz VASUQTGZAPZKFK-UHFFFAOYSA-N 1 2 205.257 2.069 50 0 biogenic BEAALO COc1ccc([C@@H]([NH3+])C(=O)OC(C)(C)C)cc1 ZINC000025665296 175179361 /nfs/dbraw/zinc/17/93/61/175179361.db2.gz HHLVYXCZQVDRKB-LLVKDONJSA-N 1 2 237.299 2.037 50 0 BEAALO COc1cc[nH+]cc1NC(=O)CCC(C)C ZINC000072051322 175374996 /nfs/dbraw/zinc/37/49/96/175374996.db2.gz ILASOKLDRILGKC-UHFFFAOYSA-N 1 2 222.288 2.465 50 0 BEAALO C[C@@H]1CN(c2[nH+]c3ccccc3n2C)C[C@@H](C)O1 ZINC000033863906 176321004 /nfs/dbraw/zinc/32/10/04/176321004.db2.gz JRZHYBYMOSOUES-GHMZBOCLSA-N 1 2 245.326 2.187 50 0 BEAALO C[C@H]1C(=O)CC[N@H+](Cc2ccco2)[C@@H]1C ZINC000004127236 177056223 /nfs/dbraw/zinc/05/62/23/177056223.db2.gz JTDIADXWGUFCRY-NXEZZACHSA-N 1 2 207.273 2.079 50 0 BEAALO C[C@H]1C(=O)CC[N@@H+](Cc2ccco2)[C@@H]1C ZINC000004127236 177056225 /nfs/dbraw/zinc/05/62/25/177056225.db2.gz JTDIADXWGUFCRY-NXEZZACHSA-N 1 2 207.273 2.079 50 0 BEAALO C[C@H]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000058107447 177121265 /nfs/dbraw/zinc/12/12/65/177121265.db2.gz OOSFNDWFGAIFOS-QWHCGFSZSA-N 1 2 249.358 2.358 50 0 BEAALO CC[C@H](NC(=O)CCSC)c1[nH]cc(C)[nH+]1 ZINC000670459815 487512373 /nfs/dbraw/zinc/51/23/73/487512373.db2.gz DAWSGHOTGNAMTH-VIFPVBQESA-N 1 2 241.360 2.039 50 0 BEAALO CCc1cnc(C)nc1NCCCn1cc[nH+]c1 ZINC000065503482 522001907 /nfs/dbraw/zinc/00/19/07/522001907.db2.gz ZITJNVWUYNYUDI-UHFFFAOYSA-N 1 2 245.330 2.046 50 0 BEAALO CCn1cc(CN(C)c2cc[nH+]cc2F)c(C)n1 ZINC001506421702 988781113 /nfs/dbraw/zinc/78/11/13/988781113.db2.gz UITMJDCOJZIJAR-UHFFFAOYSA-N 1 2 248.305 2.382 50 0 BEAALO Cc1[nH]ncc1C[NH2+]Cc1ccc(F)c(C)c1 ZINC000097159491 178024229 /nfs/dbraw/zinc/02/42/29/178024229.db2.gz DITPQEVPBHTBKU-UHFFFAOYSA-N 1 2 233.290 2.455 50 0 BEAALO Cc1cc(F)cc(NCc2c[nH+]cn2C)c1 ZINC000085729888 178079379 /nfs/dbraw/zinc/07/93/79/178079379.db2.gz PSEHBNDHCALYDQ-UHFFFAOYSA-N 1 2 219.263 2.480 50 0 BEAALO Cc1cc(F)ccc1NCc1[nH]cc[nH+]1 ZINC000049714587 178090243 /nfs/dbraw/zinc/09/02/43/178090243.db2.gz ZGDRZGRGSPTDFZ-UHFFFAOYSA-N 1 2 205.236 2.469 50 0 BEAALO Cc1cc([C@@H](C)[NH2+]Cc2nnc(C)o2)c(C)o1 ZINC000097112016 178229769 /nfs/dbraw/zinc/22/97/69/178229769.db2.gz CVBTZTJDPZGDED-MRVPVSSYSA-N 1 2 235.287 2.439 50 0 BEAALO CC[C@H](C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000170593472 361765805 /nfs/dbraw/zinc/76/58/05/361765805.db2.gz ITVUUQNFTJKCNP-LBPRGKRZSA-N 1 2 246.354 2.165 50 0 BEAALO Cc1cc([C@H](C)[NH2+]Cc2nnc(C)o2)c(C)o1 ZINC000097112018 178251928 /nfs/dbraw/zinc/25/19/28/178251928.db2.gz CVBTZTJDPZGDED-QMMMGPOBSA-N 1 2 235.287 2.439 50 0 BEAALO Cc1cc2c(ncnc2NCc2[nH]cc[nH+]2)s1 ZINC000095986683 178280530 /nfs/dbraw/zinc/28/05/30/178280530.db2.gz AYGJIIGITCLHSG-UHFFFAOYSA-N 1 2 245.311 2.335 50 0 BEAALO CCCc1[nH+]cc([C@H](O)c2ccccc2)n1C ZINC000000228191 342680707 /nfs/dbraw/zinc/68/07/07/342680707.db2.gz UMKXWQOTKYAUFE-CQSZACIVSA-N 1 2 230.311 2.454 50 0 BEAALO Nc1ccc2[nH]c(-c3ccncc3)[nH+]c2c1 ZINC000001260959 342698734 /nfs/dbraw/zinc/69/87/34/342698734.db2.gz JMXFPJFOKBVPST-UHFFFAOYSA-N 1 2 210.240 2.207 50 0 BEAALO Nc1ccc2[nH]c(-c3cccc(N)c3)[nH+]c2c1 ZINC000006101264 342773589 /nfs/dbraw/zinc/77/35/89/342773589.db2.gz QCILMAMLEHOLRX-UHFFFAOYSA-N 1 2 224.267 2.394 50 0 BEAALO Nc1ccc(C2=CSC3=[NH+]CCCN23)cc1 ZINC000011851242 342843755 /nfs/dbraw/zinc/84/37/55/342843755.db2.gz HKHQYOYARXWQJY-UHFFFAOYSA-N 1 2 231.324 2.376 50 0 BEAALO C[n+]1cccc2c(Br)ccc(O)c21 ZINC000004480651 342874201 /nfs/dbraw/zinc/87/42/01/342874201.db2.gz GAACBYFZEAMRHM-UHFFFAOYSA-O 1 2 239.092 2.132 50 0 BEAALO Nc1nc(C[N@@H+]2CCc3ccccc3C2)cs1 ZINC000017200565 342922087 /nfs/dbraw/zinc/92/20/87/342922087.db2.gz QCSNOZLPWDFADU-UHFFFAOYSA-N 1 2 245.351 2.284 50 0 BEAALO Nc1nc(C[N@H+]2CCc3ccccc3C2)cs1 ZINC000017200565 342922088 /nfs/dbraw/zinc/92/20/88/342922088.db2.gz QCSNOZLPWDFADU-UHFFFAOYSA-N 1 2 245.351 2.284 50 0 BEAALO Cc1ccc(C[NH+]2CCC(=O)CC2)cc1 ZINC000019427685 342948641 /nfs/dbraw/zinc/94/86/41/342948641.db2.gz HCANSJOGHLDHGO-UHFFFAOYSA-N 1 2 203.285 2.160 50 0 BEAALO CC(C)(C)CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000022024423 343036525 /nfs/dbraw/zinc/03/65/25/343036525.db2.gz JXCLDSNNCPNVPS-UHFFFAOYSA-N 1 2 245.326 2.387 50 0 BEAALO Cc1ccc2cc(C)c(NCCO)[nH+]c2c1 ZINC000005784453 343056202 /nfs/dbraw/zinc/05/62/02/343056202.db2.gz MPHCLZUQILBADN-UHFFFAOYSA-N 1 2 216.284 2.256 50 0 BEAALO Cc1cc(C)cc(OCC[NH+]2CCOCC2)c1 ZINC000019639197 343139861 /nfs/dbraw/zinc/13/98/61/343139861.db2.gz UCOHUVMMQTZDBB-UHFFFAOYSA-N 1 2 235.327 2.014 50 0 BEAALO CC1(C)Cc2ccccc2C(N2CCOCC2)=[NH+]1 ZINC000000051827 187244547 /nfs/dbraw/zinc/24/45/47/187244547.db2.gz DBJSVWGTIHHPPU-UHFFFAOYSA-N 1 2 244.338 2.100 50 0 BEAALO Nc1nc2c(s1)CC[N@H+](Cc1ccccc1)C2 ZINC000032627869 343238827 /nfs/dbraw/zinc/23/88/27/343238827.db2.gz VISLXHVJSCZPQV-UHFFFAOYSA-N 1 2 245.351 2.284 50 0 BEAALO Nc1nc2c(s1)CC[N@@H+](Cc1ccccc1)C2 ZINC000032627869 343238829 /nfs/dbraw/zinc/23/88/29/343238829.db2.gz VISLXHVJSCZPQV-UHFFFAOYSA-N 1 2 245.351 2.284 50 0 BEAALO C/C=C/C[N@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000009501413 187249979 /nfs/dbraw/zinc/24/99/79/187249979.db2.gz VPDBPLHYAPPQML-ONEGZZNKSA-N 1 2 236.290 2.272 50 0 BEAALO C/C=C/C[N@@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000009501413 187249980 /nfs/dbraw/zinc/24/99/80/187249980.db2.gz VPDBPLHYAPPQML-ONEGZZNKSA-N 1 2 236.290 2.272 50 0 BEAALO Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000036644195 343321688 /nfs/dbraw/zinc/32/16/88/343321688.db2.gz QFDLEXRNARNIIA-UHFFFAOYSA-N 1 2 213.284 2.469 50 0 BEAALO Nc1cccc(-c2ccc3c(c2)OCCO3)[nH+]1 ZINC000038069115 343368269 /nfs/dbraw/zinc/36/82/69/343368269.db2.gz SETWGKKLYIRCBH-UHFFFAOYSA-N 1 2 228.251 2.102 50 0 BEAALO CC(C)CN1CCn2c3ccc(N)cc3[nH+]c2C1 ZINC000066442677 343869808 /nfs/dbraw/zinc/86/98/08/343869808.db2.gz HLVZFEBQUPTZHE-UHFFFAOYSA-N 1 2 244.342 2.090 50 0 BEAALO CCCCNC(=O)[C@@H](C)[N@@H+]1CCC=C(Cl)C1 ZINC000585141455 344173394 /nfs/dbraw/zinc/17/33/94/344173394.db2.gz WBUKZECVGRBZDW-SNVBAGLBSA-N 1 2 244.766 2.120 50 0 BEAALO CCCCNC(=O)[C@@H](C)[N@H+]1CCC=C(Cl)C1 ZINC000585141455 344173396 /nfs/dbraw/zinc/17/33/96/344173396.db2.gz WBUKZECVGRBZDW-SNVBAGLBSA-N 1 2 244.766 2.120 50 0 BEAALO O=C(CCC1CCCC1)N1CC(n2cc[nH+]c2)C1 ZINC000409421636 344969108 /nfs/dbraw/zinc/96/91/08/344969108.db2.gz WPIQEPKIONXIBW-UHFFFAOYSA-N 1 2 247.342 2.237 50 0 BEAALO Clc1nc2ccccc2c(-n2cc[nH+]c2)n1 ZINC000011756740 344999080 /nfs/dbraw/zinc/99/90/80/344999080.db2.gz NRYZMDHFEWLPDQ-UHFFFAOYSA-N 1 2 230.658 2.469 50 0 BEAALO COc1cc[nH+]cc1NC(=O)C(C)(C)C ZINC000065591221 345617726 /nfs/dbraw/zinc/61/77/26/345617726.db2.gz MBJUSDJVEVROER-UHFFFAOYSA-N 1 2 208.261 2.075 50 0 BEAALO Cc1[nH]ncc1C[NH2+]Cc1cccc(C)c1 ZINC000035273952 179094564 /nfs/dbraw/zinc/09/45/64/179094564.db2.gz WGJAFWDGCBUSFO-UHFFFAOYSA-N 1 2 215.300 2.316 50 0 BEAALO Cc1cccc(NC(=O)NCCn2cc[nH+]c2)c1 ZINC000024367809 179134691 /nfs/dbraw/zinc/13/46/91/179134691.db2.gz PSUMRCIZUARISS-UHFFFAOYSA-N 1 2 244.298 2.013 50 0 BEAALO Cc1ccsc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000042511224 179538154 /nfs/dbraw/zinc/53/81/54/179538154.db2.gz CAFKIPOJOMINOL-JTQLQIEISA-N 1 2 249.339 2.072 50 0 BEAALO S=c1n2ccccc2nn1C[NH+]1CCCCC1 ZINC000006985521 538036436 /nfs/dbraw/zinc/03/64/36/538036436.db2.gz IJRIJVWZKIJWSE-UHFFFAOYSA-N 1 2 248.355 2.309 50 0 BEAALO CC[C@@H]1CC(=O)NCc2[nH+]c3c(C)cccn3c21 ZINC000065530269 191001840 /nfs/dbraw/zinc/00/18/40/191001840.db2.gz BUATYSAFMYFDCD-SNVBAGLBSA-N 1 2 243.310 2.156 50 0 BEAALO Cc1[nH+]c2ccccc2n1[C@H]1CCC[C@H]1O ZINC000037489910 180103456 /nfs/dbraw/zinc/10/34/56/180103456.db2.gz BMHILEJFLIAHKZ-QWHCGFSZSA-N 1 2 216.284 2.431 50 0 BEAALO Cc1[nH+]c2ccccc2n1C[C@H](O)C(F)(F)F ZINC000068877908 180104697 /nfs/dbraw/zinc/10/46/97/180104697.db2.gz WIWPZUODOSEPJR-JTQLQIEISA-N 1 2 244.216 2.268 50 0 BEAALO Cc1noc(C)c1CNc1cc[nH+]cc1F ZINC000225406323 180474959 /nfs/dbraw/zinc/47/49/59/180474959.db2.gz VIZMKEGHFOAKPG-UHFFFAOYSA-N 1 2 221.235 2.438 50 0 BEAALO Cc1c[nH]c([C@H](C)NC(=O)Cc2ccsc2)[nH+]1 ZINC000534660415 352599469 /nfs/dbraw/zinc/59/94/69/352599469.db2.gz YISKUZDBTKDWDR-VIFPVBQESA-N 1 2 249.339 2.200 50 0 BEAALO Cc1cc[nH+]c(C)c1NC(=O)C[C@H]1CCOC1 ZINC000333401634 188278613 /nfs/dbraw/zinc/27/86/13/188278613.db2.gz NZBJKOFTQQUXCK-LLVKDONJSA-N 1 2 234.299 2.064 50 0 BEAALO CC(C)(C)c1nnc(C[NH+]2CCCCC2)o1 ZINC000069369605 188304848 /nfs/dbraw/zinc/30/48/48/188304848.db2.gz BUOZSDKRTNJJID-UHFFFAOYSA-N 1 2 223.320 2.353 50 0 BEAALO Fc1ccccc1CN1CCn2cc[nH+]c2C1 ZINC000097201141 181011969 /nfs/dbraw/zinc/01/19/69/181011969.db2.gz LXMGIXSHEKSXRD-UHFFFAOYSA-N 1 2 231.274 2.038 50 0 BEAALO N=C1c2c3c(sc2NC2=[NH+]CCN21)CCCC3 ZINC000012016171 181207480 /nfs/dbraw/zinc/20/74/80/181207480.db2.gz ZZWSJOPDTAEUEX-UHFFFAOYSA-N 1 2 246.339 2.049 50 0 BEAALO [NH2+]=C1c2c3c(sc2NC2=NCCN21)CCCC3 ZINC000012016171 181207482 /nfs/dbraw/zinc/20/74/82/181207482.db2.gz ZZWSJOPDTAEUEX-UHFFFAOYSA-N 1 2 246.339 2.049 50 0 BEAALO CNc1cc(C)[nH+]c(-c2ccc3c(c2)OCO3)n1 ZINC000050864520 355948700 /nfs/dbraw/zinc/94/87/00/355948700.db2.gz GNTFZTGTFBCWLU-UHFFFAOYSA-N 1 2 243.266 2.222 50 0 BEAALO COc1ccc[nH+]c1N[C@H]1COC(C)(C)C1 ZINC000396572977 357481630 /nfs/dbraw/zinc/48/16/30/357481630.db2.gz YWPSFIZQTJNOHF-SECBINFHSA-N 1 2 222.288 2.070 50 0 BEAALO CC(C)c1nc(C[N@@H+]2CCC[C@@H](O)C2)cs1 ZINC000048331253 358628521 /nfs/dbraw/zinc/62/85/21/358628521.db2.gz MJXRFYYYFALTTB-LLVKDONJSA-N 1 2 240.372 2.223 50 0 BEAALO CC(C)c1nc(C[N@H+]2CCC[C@@H](O)C2)cs1 ZINC000048331253 358628522 /nfs/dbraw/zinc/62/85/22/358628522.db2.gz MJXRFYYYFALTTB-LLVKDONJSA-N 1 2 240.372 2.223 50 0 BEAALO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1nccn1C ZINC000070443532 359054629 /nfs/dbraw/zinc/05/46/29/359054629.db2.gz 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Cn1ncc2c1nc[nH+]c2N1CCCCCCC1 ZINC000012485107 386204442 /nfs/dbraw/zinc/20/44/42/386204442.db2.gz LJPXTYRJSWEVGT-UHFFFAOYSA-N 1 2 245.330 2.134 50 0 BEAALO Cc1cnc(C[NH2+][C@H](C)c2nccn2C)s1 ZINC000095985048 386228011 /nfs/dbraw/zinc/22/80/11/386228011.db2.gz NRQVHQPBJCNHLB-SECBINFHSA-N 1 2 236.344 2.036 50 0 BEAALO Cc1cnc(CN[C@H](C)c2[nH+]ccn2C)s1 ZINC000095985048 386228016 /nfs/dbraw/zinc/22/80/16/386228016.db2.gz NRQVHQPBJCNHLB-SECBINFHSA-N 1 2 236.344 2.036 50 0 BEAALO Cc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)no1 ZINC000051996177 386806769 /nfs/dbraw/zinc/80/67/69/386806769.db2.gz YZNQZLISJYICKU-QWHCGFSZSA-N 1 2 236.315 2.126 50 0 BEAALO Cc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)no1 ZINC000051996177 386806774 /nfs/dbraw/zinc/80/67/74/386806774.db2.gz YZNQZLISJYICKU-QWHCGFSZSA-N 1 2 236.315 2.126 50 0 BEAALO Cc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)on1 ZINC000051996437 386809210 /nfs/dbraw/zinc/80/92/10/386809210.db2.gz LARYEZURLACHHL-STQMWFEESA-N 1 2 236.315 2.126 50 0 BEAALO Cc1cc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)on1 ZINC000051996437 386809215 /nfs/dbraw/zinc/80/92/15/386809215.db2.gz LARYEZURLACHHL-STQMWFEESA-N 1 2 236.315 2.126 50 0 BEAALO Fc1cccc(-c2nc(Cn3cc[nH+]c3)no2)c1 ZINC000064543404 387214376 /nfs/dbraw/zinc/21/43/76/387214376.db2.gz WYPYTMPRVQOBJW-UHFFFAOYSA-N 1 2 244.229 2.121 50 0 BEAALO Fc1ccc(-c2nc(Cn3cc[nH+]c3)no2)cc1 ZINC000064543403 387214388 /nfs/dbraw/zinc/21/43/88/387214388.db2.gz OWLVBNGUWRQJNR-UHFFFAOYSA-N 1 2 244.229 2.121 50 0 BEAALO Cc1[nH+]cnc(N2CCC(CF)CC2)c1C ZINC000575603891 387375753 /nfs/dbraw/zinc/37/57/53/387375753.db2.gz MIFDYWDAMXDIBJ-UHFFFAOYSA-N 1 2 223.295 2.279 50 0 BEAALO CSCC[N@H+](C)Cc1nc(C)c(C)o1 ZINC000089558255 387343372 /nfs/dbraw/zinc/34/33/72/387343372.db2.gz WNLUAVZSRUJGPU-UHFFFAOYSA-N 1 2 214.334 2.086 50 0 BEAALO CSCC[N@@H+](C)Cc1nc(C)c(C)o1 ZINC000089558255 387343376 /nfs/dbraw/zinc/34/33/76/387343376.db2.gz WNLUAVZSRUJGPU-UHFFFAOYSA-N 1 2 214.334 2.086 50 0 BEAALO CCCCCCN1CC[NH+](C2CC2)CC1 ZINC000096419560 387461740 /nfs/dbraw/zinc/46/17/40/387461740.db2.gz ILUVGHGNADDBQC-UHFFFAOYSA-N 1 2 210.365 2.347 50 0 BEAALO COC(=O)C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000096491405 387465384 /nfs/dbraw/zinc/46/53/84/387465384.db2.gz XZYWTQCGIVUVCW-NSHDSACASA-N 1 2 235.327 2.115 50 0 BEAALO CC(C)(C)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120771382 387474305 /nfs/dbraw/zinc/47/43/05/387474305.db2.gz IWGWXTOCZGTGCU-LBPRGKRZSA-N 1 2 248.326 2.107 50 0 BEAALO CCc1ccc(NC(=O)Cn2cc[nH+]c2)cc1 ZINC000029594117 388358795 /nfs/dbraw/zinc/35/87/95/388358795.db2.gz ZKLRGCIWGTUHOG-UHFFFAOYSA-N 1 2 229.283 2.084 50 0 BEAALO Cc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)on1 ZINC000245266993 388414953 /nfs/dbraw/zinc/41/49/53/388414953.db2.gz LARYEZURLACHHL-CHWSQXEVSA-N 1 2 236.315 2.126 50 0 BEAALO Cc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)on1 ZINC000245266993 388414955 /nfs/dbraw/zinc/41/49/55/388414955.db2.gz LARYEZURLACHHL-CHWSQXEVSA-N 1 2 236.315 2.126 50 0 BEAALO CC[C@@H](C)[C@@](C)(O)CNc1cccc[nH+]1 ZINC000079002728 388742825 /nfs/dbraw/zinc/74/28/25/388742825.db2.gz OBFAPYFPDNKHGS-PWSUYJOCSA-N 1 2 208.305 2.291 50 0 BEAALO CC/C=C(\C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000096307047 388814962 /nfs/dbraw/zinc/81/49/62/388814962.db2.gz TXGCWCZTJYZOCI-YRNVUSSQSA-N 1 2 247.342 2.120 50 0 BEAALO Cc1nc(N2CCOC[C@H]2CC(C)C)cc[nH+]1 ZINC000097013885 388829574 /nfs/dbraw/zinc/82/95/74/388829574.db2.gz VGARPFLLQPVVIH-GFCCVEGCSA-N 1 2 235.331 2.036 50 0 BEAALO CC(C)(C)c1nc(N[C@@H]2C=C[C@H](CO)C2)cc[nH+]1 ZINC000097011957 388829611 /nfs/dbraw/zinc/82/96/11/388829611.db2.gz RWCFUVFOVYKDJF-WDEREUQCSA-N 1 2 247.342 2.123 50 0 BEAALO c1cn(C2CCN(c3ccccn3)CC2)c[nH+]1 ZINC000071899531 132395807 /nfs/dbraw/zinc/39/58/07/132395807.db2.gz KINASOCGIKTNRU-UHFFFAOYSA-N 1 2 228.299 2.120 50 0 BEAALO Nc1cccc(C[N@@H+]2CCC(F)(F)C2)c1 ZINC000259428124 135142347 /nfs/dbraw/zinc/14/23/47/135142347.db2.gz IZMGGXBCCLVYJE-UHFFFAOYSA-N 1 2 212.243 2.110 50 0 BEAALO Nc1cccc(C[N@H+]2CCC(F)(F)C2)c1 ZINC000259428124 135142349 /nfs/dbraw/zinc/14/23/49/135142349.db2.gz IZMGGXBCCLVYJE-UHFFFAOYSA-N 1 2 212.243 2.110 50 0 BEAALO Cc1nc(N2CCC(F)(F)[C@@H](C)C2)cc[nH+]1 ZINC000334387097 135383388 /nfs/dbraw/zinc/38/33/88/135383388.db2.gz OSAOPOKJUDWXDA-QMMMGPOBSA-N 1 2 227.258 2.267 50 0 BEAALO C[C@]1(CO)CCC[C@H]1Nc1cccc[nH+]1 ZINC000098013797 397804345 /nfs/dbraw/zinc/80/43/45/397804345.db2.gz DOBSILVWMKGTTF-ZYHUDNBSSA-N 1 2 206.289 2.045 50 0 BEAALO CCc1cccc(NC(=O)Cn2cc[nH+]c2)c1 ZINC000029594141 397994787 /nfs/dbraw/zinc/99/47/87/397994787.db2.gz VHMUKXGVWIXABK-UHFFFAOYSA-N 1 2 229.283 2.084 50 0 BEAALO Brc1ccc2c(c1)C=[NH+]CC2 ZINC000095910973 166099957 /nfs/dbraw/zinc/09/99/57/166099957.db2.gz YQQLGLRTMLGKDQ-UHFFFAOYSA-N 1 2 210.074 2.424 50 0 BEAALO Fc1cc2cccnc2c(C[NH+]2CCOCC2)c1 ZINC000046502112 410165252 /nfs/dbraw/zinc/16/52/52/410165252.db2.gz SPKRWTIKLLNPLL-UHFFFAOYSA-N 1 2 246.285 2.206 50 0 BEAALO Brc1c[nH+]c2n1CCCCC2 ZINC000016124759 166104957 /nfs/dbraw/zinc/10/49/57/166104957.db2.gz UWZONBZFTQTRBD-UHFFFAOYSA-N 1 2 215.094 2.372 50 0 BEAALO CC(C)c1noc([C@H](C)[NH+]2CCSCC2)n1 ZINC000047986445 411168428 /nfs/dbraw/zinc/16/84/28/411168428.db2.gz CKMWLWJGLZQPOZ-VIFPVBQESA-N 1 2 241.360 2.303 50 0 BEAALO CCC(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000000550926 168245452 /nfs/dbraw/zinc/24/54/52/168245452.db2.gz SYEMVBXKNDPXET-UHFFFAOYSA-N 1 2 217.272 2.230 50 0 BEAALO CCN1CNC(SCc2ccc(C)cc2)=[NH+]C1 ZINC000000144725 170026856 /nfs/dbraw/zinc/02/68/56/170026856.db2.gz GBXARNVUVNJFCX-UHFFFAOYSA-N 1 2 249.383 2.424 50 0 BEAALO CC[C@@]([NH3+])(C(=O)OC)c1ccc(Cl)cc1 ZINC000037459608 171193822 /nfs/dbraw/zinc/19/38/22/171193822.db2.gz RDTRIOBNZFXHES-NSHDSACASA-N 1 2 227.691 2.077 50 0 BEAALO CN(C)C(=O)c1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC000085476796 172388511 /nfs/dbraw/zinc/38/85/11/172388511.db2.gz RGZQEPYIXAAMKP-UHFFFAOYSA-N 1 2 241.294 2.033 50 0 BEAALO CN(C)C(=O)c1cccc(-c2ccc(N)[nH+]c2)c1 ZINC000085476802 172391386 /nfs/dbraw/zinc/39/13/86/172391386.db2.gz NXMUWEOJLSQVPD-UHFFFAOYSA-N 1 2 241.294 2.033 50 0 BEAALO C[NH2+][C@@H](c1ccc(Cl)cc1)c1ncccn1 ZINC000037658180 173427398 /nfs/dbraw/zinc/42/73/98/173427398.db2.gz USFVRQPENBTQNL-NSHDSACASA-N 1 2 233.702 2.439 50 0 BEAALO COCCCNc1[nH+]cccc1OC(F)F ZINC000095467671 174252944 /nfs/dbraw/zinc/25/29/44/174252944.db2.gz AFRIINCKGMQNQY-UHFFFAOYSA-N 1 2 232.230 2.131 50 0 BEAALO COc1ccc(C[N@@H+]2CCO[C@@H](C)C2)cc1F ZINC000054172155 175102088 /nfs/dbraw/zinc/10/20/88/175102088.db2.gz LVBXPUAOGCBZSA-JTQLQIEISA-N 1 2 239.290 2.055 50 0 BEAALO COc1ccc(C[N@H+]2CCO[C@@H](C)C2)cc1F ZINC000054172155 175102089 /nfs/dbraw/zinc/10/20/89/175102089.db2.gz LVBXPUAOGCBZSA-JTQLQIEISA-N 1 2 239.290 2.055 50 0 BEAALO COc1cccc(C[N@H+](C)Cc2cc[nH]n2)c1 ZINC000070040476 175254922 /nfs/dbraw/zinc/25/49/22/175254922.db2.gz SGKHKPOQDTVURR-UHFFFAOYSA-N 1 2 231.299 2.050 50 0 BEAALO COc1cccc(C[N@@H+](C)Cc2cc[nH]n2)c1 ZINC000070040476 175254923 /nfs/dbraw/zinc/25/49/23/175254923.db2.gz SGKHKPOQDTVURR-UHFFFAOYSA-N 1 2 231.299 2.050 50 0 BEAALO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1nccn1C ZINC000071897182 176019001 /nfs/dbraw/zinc/01/90/01/176019001.db2.gz RAVOAYFTXZVDCE-NSHDSACASA-N 1 2 245.326 2.319 50 0 BEAALO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1nccn1C ZINC000071897182 176019003 /nfs/dbraw/zinc/01/90/03/176019003.db2.gz RAVOAYFTXZVDCE-NSHDSACASA-N 1 2 245.326 2.319 50 0 BEAALO C[C@@H](c1cccc(O)c1)N(C)Cc1[nH+]ccn1C ZINC000071897182 176019004 /nfs/dbraw/zinc/01/90/04/176019004.db2.gz RAVOAYFTXZVDCE-NSHDSACASA-N 1 2 245.326 2.319 50 0 BEAALO C[C@@H]1C[NH+](Cc2ccc3c(c2)OCO3)C[C@@H](C)O1 ZINC000023114957 176305144 /nfs/dbraw/zinc/30/51/44/176305144.db2.gz JUCOHXGUMPVRQS-GHMZBOCLSA-N 1 2 249.310 2.025 50 0 BEAALO C[C@@H]1C[N@H+](Cc2cncs2)C(C)(C)CO1 ZINC000097139472 176310745 /nfs/dbraw/zinc/31/07/45/176310745.db2.gz YUCVMCRUUJAJJV-SECBINFHSA-N 1 2 226.345 2.142 50 0 BEAALO C[C@@H]1C[N@@H+](Cc2cncs2)C(C)(C)CO1 ZINC000097139472 176310747 /nfs/dbraw/zinc/31/07/47/176310747.db2.gz YUCVMCRUUJAJJV-SECBINFHSA-N 1 2 226.345 2.142 50 0 BEAALO C[C@H]1C[N@H+](Cc2cccc(F)c2)CCO1 ZINC000040479426 177265407 /nfs/dbraw/zinc/26/54/07/177265407.db2.gz SURLLSFQMZLPCF-JTQLQIEISA-N 1 2 209.264 2.046 50 0 BEAALO C[C@H]1C[N@@H+](Cc2cccc(F)c2)CCO1 ZINC000040479426 177265409 /nfs/dbraw/zinc/26/54/09/177265409.db2.gz SURLLSFQMZLPCF-JTQLQIEISA-N 1 2 209.264 2.046 50 0 BEAALO C[C@@H]1CN(c2[nH+]c3ccccc3n2C)C[C@H](C)O1 ZINC000033863904 177277912 /nfs/dbraw/zinc/27/79/12/177277912.db2.gz JRZHYBYMOSOUES-PHIMTYICSA-N 1 2 245.326 2.187 50 0 BEAALO Cc1ccc(C[N@@H+](C)[C@H]2C[C@@H](C)OC2=O)cc1 ZINC000107569436 487818403 /nfs/dbraw/zinc/81/84/03/487818403.db2.gz JGXXCINWJJLPKY-YPMHNXCESA-N 1 2 233.311 2.131 50 0 BEAALO Cc1ccc(C[N@H+](C)[C@H]2C[C@@H](C)OC2=O)cc1 ZINC000107569436 487818409 /nfs/dbraw/zinc/81/84/09/487818409.db2.gz JGXXCINWJJLPKY-YPMHNXCESA-N 1 2 233.311 2.131 50 0 BEAALO Cc1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccs1)C2 ZINC000670458582 487511578 /nfs/dbraw/zinc/51/15/78/487511578.db2.gz OLELRUMYBZGBHE-UHFFFAOYSA-N 1 2 247.323 2.068 50 0 BEAALO 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Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1ncc[nH]1 ZINC000067818577 383949712 /nfs/dbraw/zinc/94/97/12/383949712.db2.gz VXDWJDUFHRWTJO-NSHDSACASA-N 1 2 246.314 2.352 50 0 BEAALO Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1ncc[nH]1 ZINC000067818577 383949715 /nfs/dbraw/zinc/94/97/15/383949715.db2.gz VXDWJDUFHRWTJO-NSHDSACASA-N 1 2 246.314 2.352 50 0 BEAALO CC(C)(C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000067934437 383958387 /nfs/dbraw/zinc/95/83/87/383958387.db2.gz YJRCSGXEJWIECX-UHFFFAOYSA-N 1 2 221.304 2.204 50 0 BEAALO Nc1c[nH+]cc(C[C@@H]2COc3ccccc3C2)c1 ZINC000091708220 384140663 /nfs/dbraw/zinc/14/06/63/384140663.db2.gz WFGSPAAEEDRHHQ-LBPRGKRZSA-N 1 2 240.306 2.458 50 0 BEAALO COc1cc(C)ccc1-c1[nH+]ccn1[C@H](C)CO ZINC000071750203 384176580 /nfs/dbraw/zinc/17/65/80/384176580.db2.gz ZZPOKRSXVLTFIQ-LLVKDONJSA-N 1 2 246.310 2.420 50 0 BEAALO CCN(CC(C)(C)C)c1[nH+]cnc2c1cnn2C ZINC000408518432 384273868 /nfs/dbraw/zinc/27/38/68/384273868.db2.gz HNRVCERAVJVFPL-UHFFFAOYSA-N 1 2 247.346 2.236 50 0 BEAALO COC(=O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000133624858 384302406 /nfs/dbraw/zinc/30/24/06/384302406.db2.gz PTPWFFZQLBEBNY-QWHCGFSZSA-N 1 2 233.311 2.085 50 0 BEAALO COC(=O)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000095350329 384372231 /nfs/dbraw/zinc/37/22/31/384372231.db2.gz KUVNFNXCQAIBKS-SNVBAGLBSA-N 1 2 225.313 2.058 50 0 BEAALO COC(=O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000095350329 384372238 /nfs/dbraw/zinc/37/22/38/384372238.db2.gz KUVNFNXCQAIBKS-SNVBAGLBSA-N 1 2 225.313 2.058 50 0 BEAALO C[C@H]([NH2+]Cc1ccco1)c1nnc2n1CCCC2 ZINC000084668007 384404932 /nfs/dbraw/zinc/40/49/32/384404932.db2.gz CEFNTGQTYXIUMR-JTQLQIEISA-N 1 2 246.314 2.058 50 0 BEAALO Cc1ccc(C)c(OCC[NH+]2CCOCC2)c1C ZINC000019770559 384538850 /nfs/dbraw/zinc/53/88/50/384538850.db2.gz TYPFWSBTFXXHJU-UHFFFAOYSA-N 1 2 249.354 2.323 50 0 BEAALO c1ccc2c(c1)CC[NH+]=C2[C@@H]1CCCO1 ZINC000004826023 384748890 /nfs/dbraw/zinc/74/88/90/384748890.db2.gz LSHRXRTVJOAZIR-LBPRGKRZSA-N 1 2 201.269 2.211 50 0 BEAALO Cc1cc2[nH]c(CCCO)[nH+]c2c(C)c1 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COc1ccc(OCCCn2cc[nH+]c2)cc1 ZINC000002484804 175172931 /nfs/dbraw/zinc/17/29/31/175172931.db2.gz NALISARNWDWIOT-UHFFFAOYSA-N 1 2 232.283 2.361 50 0 BEAALO COc1ccc2oc(C)c(C(=O)C[NH+](C)C)c2c1 ZINC000003173111 175231042 /nfs/dbraw/zinc/23/10/42/175231042.db2.gz MNYSDVYNECWGMW-UHFFFAOYSA-N 1 2 247.294 2.494 50 0 BEAALO COc1cccc(-c2ccc(N)[nH+]c2)c1 ZINC000016946498 175234177 /nfs/dbraw/zinc/23/41/77/175234177.db2.gz UVYHJYCQMANHPO-UHFFFAOYSA-N 1 2 200.241 2.339 50 0 BEAALO COc1cccc(C[N@H+](C)Cc2cncs2)n1 ZINC000188962755 175254904 /nfs/dbraw/zinc/25/49/04/175254904.db2.gz TVDATHIJIILRNY-UHFFFAOYSA-N 1 2 249.339 2.179 50 0 BEAALO COc1cccc(C[N@@H+](C)Cc2cncs2)n1 ZINC000188962755 175254905 /nfs/dbraw/zinc/25/49/05/175254905.db2.gz TVDATHIJIILRNY-UHFFFAOYSA-N 1 2 249.339 2.179 50 0 BEAALO CSCc1cc[nH+]c(NCc2ncc[nH]2)c1 ZINC000089493775 175532584 /nfs/dbraw/zinc/53/25/84/175532584.db2.gz LQZYNQANUIFGLV-UHFFFAOYSA-N 1 2 234.328 2.280 50 0 BEAALO C[C@@H]1C[N@H+](Cc2ccccc2F)CCO1 ZINC000040479429 176308023 /nfs/dbraw/zinc/30/80/23/176308023.db2.gz HEESVUUESWGQJN-SNVBAGLBSA-N 1 2 209.264 2.046 50 0 BEAALO C[C@@H]1C[N@@H+](Cc2ccccc2F)CCO1 ZINC000040479429 176308024 /nfs/dbraw/zinc/30/80/24/176308024.db2.gz HEESVUUESWGQJN-SNVBAGLBSA-N 1 2 209.264 2.046 50 0 BEAALO C[C@H](C1N=NC(=S)N1c1ccccc1)[NH+](C)C ZINC000019229945 177053954 /nfs/dbraw/zinc/05/39/54/177053954.db2.gz OJONJYAZSYAMQP-SECBINFHSA-N 1 2 248.355 2.179 50 0 BEAALO C[C@H]1CCC[C@@H](C(=O)OCc2ccccc2)[NH2+]1 ZINC000059852234 177114256 /nfs/dbraw/zinc/11/42/56/177114256.db2.gz VCDXZKWEOAGDCL-AAEUAGOBSA-N 1 2 233.311 2.260 50 0 BEAALO CC(C)CCO[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC000083247580 487885195 /nfs/dbraw/zinc/88/51/95/487885195.db2.gz JPHGTPGSZKILKG-ZDUSSCGKSA-N 1 2 238.331 2.312 50 0 BEAALO CC(C)CCO[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC000083247580 487885199 /nfs/dbraw/zinc/88/51/99/487885199.db2.gz JPHGTPGSZKILKG-ZDUSSCGKSA-N 1 2 238.331 2.312 50 0 BEAALO CC[C@@H](NC(=O)CCSC)c1[nH]cc(C)[nH+]1 ZINC000670459814 487512042 /nfs/dbraw/zinc/51/20/42/487512042.db2.gz DAWSGHOTGNAMTH-SECBINFHSA-N 1 2 241.360 2.039 50 0 BEAALO C[N@H+](CCOc1ccccc1F)Cc1ncc[nH]1 ZINC000069705025 522922978 /nfs/dbraw/zinc/92/29/78/522922978.db2.gz BAGOAJDYOODHEH-UHFFFAOYSA-N 1 2 249.289 2.060 50 0 BEAALO C[N@@H+](CCOc1ccccc1F)Cc1ncc[nH]1 ZINC000069705025 522922987 /nfs/dbraw/zinc/92/29/87/522922987.db2.gz BAGOAJDYOODHEH-UHFFFAOYSA-N 1 2 249.289 2.060 50 0 BEAALO COC(=O)[C@](C)([NH3+])c1ccccc1C(F)(F)F ZINC000037514699 524002437 /nfs/dbraw/zinc/00/24/37/524002437.db2.gz KUPGWMNVPSHOKW-SNVBAGLBSA-N 1 2 247.216 2.052 50 0 biogenic BEAALO C[C@H]([NH2+]Cc1ccn[nH]1)C1=CCCCC1 ZINC000888099250 583181139 /nfs/dbraw/zinc/18/11/39/583181139.db2.gz XNKLSSKDYSMJFZ-JTQLQIEISA-N 1 2 205.305 2.388 50 0 BEAALO Cn1cc[nH+]c1-c1ccc(O[C@H]2CCOC2)cc1 ZINC000871596261 589771289 /nfs/dbraw/zinc/77/12/89/589771289.db2.gz AVGZHGUVCILLEK-ZDUSSCGKSA-N 1 2 244.294 2.255 50 0 BEAALO CCC[C@@H](Nc1cccc[nH+]1)n1cncn1 ZINC000019299965 643038532 /nfs/dbraw/zinc/03/85/32/643038532.db2.gz GIQOSNWBMQZEDH-NSHDSACASA-N 1 2 217.276 2.084 50 0 BEAALO Cc1[nH]cc(-c2cc(C3CC3)nc(N)c2C#N)[nH+]1 ZINC000067756374 710989616 /nfs/dbraw/zinc/98/96/16/710989616.db2.gz HJUKETLOCWJNLR-UHFFFAOYSA-N 1 2 239.282 2.111 50 0 BEAALO Cc1cc(N)nc(S[C@H](C)C2CC2)[nH+]1 ZINC000585119107 961858264 /nfs/dbraw/zinc/85/82/64/961858264.db2.gz RCMVJHANIJZGJL-SSDOTTSWSA-N 1 2 209.318 2.088 50 0 BEAALO CC(C)Cn1c[nH+]cc1CNC(=O)C1CC=CC1 ZINC000821502143 968492153 /nfs/dbraw/zinc/49/21/53/968492153.db2.gz NEHAYBLAHGLVQC-UHFFFAOYSA-N 1 2 247.342 2.122 50 0 BEAALO Fc1c[nH+]ccc1NCCCC[C@@H]1CCCO1 ZINC001506398130 988776088 /nfs/dbraw/zinc/77/60/88/988776088.db2.gz HDVCXPROPOOQNE-LLVKDONJSA-N 1 2 238.306 2.404 50 0 BEAALO Cc1cc(C)n(C[C@H](C)[N@H+](C)Cc2ccon2)n1 ZINC001506415595 988777448 /nfs/dbraw/zinc/77/74/48/988777448.db2.gz PNOSVWPIJGJEIL-LBPRGKRZSA-N 1 2 248.330 2.008 50 0 BEAALO Cc1cc(C)n(C[C@H](C)[N@@H+](C)Cc2ccon2)n1 ZINC001506415595 988777459 /nfs/dbraw/zinc/77/74/59/988777459.db2.gz PNOSVWPIJGJEIL-LBPRGKRZSA-N 1 2 248.330 2.008 50 0 BEAALO Cc1cc(NCc2[nH]cc[nH+]2)ccc1F ZINC000061116645 178175980 /nfs/dbraw/zinc/17/59/80/178175980.db2.gz VMADWICXBYMXSE-UHFFFAOYSA-N 1 2 205.236 2.469 50 0 BEAALO Cc1cc(NCc2[nH+]ccn2C)ccc1F ZINC000061097078 178176927 /nfs/dbraw/zinc/17/69/27/178176927.db2.gz QPRUSXIPFVZMSA-UHFFFAOYSA-N 1 2 219.263 2.480 50 0 BEAALO Cc1cc2[nH+]cn(CCC(N)=S)c2cc1C ZINC000011737079 178305567 /nfs/dbraw/zinc/30/55/67/178305567.db2.gz WSUXYRZPTWFQOK-UHFFFAOYSA-N 1 2 233.340 2.329 50 0 BEAALO CC(C)(C)[NH2+]CC(=O)OCc1ccccc1 ZINC000000159897 342678273 /nfs/dbraw/zinc/67/82/73/342678273.db2.gz WGJVYWVEWCTCHX-UHFFFAOYSA-N 1 2 221.300 2.118 50 0 BEAALO CCc1nc2sc3c(c2c(NN)[nH+]1)CCC3 ZINC000000289840 342682405 /nfs/dbraw/zinc/68/24/05/342682405.db2.gz KNFQWNINTLAUSD-UHFFFAOYSA-N 1 2 234.328 2.028 50 0 BEAALO COC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)C(C)C ZINC000002027716 342714697 /nfs/dbraw/zinc/71/46/97/342714697.db2.gz WREZKYXHHHBGNI-JSGCOSHPSA-N 1 2 249.354 2.405 50 0 BEAALO CCOc1ccc([NH2+]CCCCO)cc1 ZINC000002132394 342715963 /nfs/dbraw/zinc/71/59/63/342715963.db2.gz XIJLICADXUMRDT-UHFFFAOYSA-N 1 2 209.289 2.270 50 0 BEAALO C[NH+](C)Cc1cc(O)ccc1Br ZINC000004235233 342745229 /nfs/dbraw/zinc/74/52/29/342745229.db2.gz ZOJBOFJPDLZFEG-UHFFFAOYSA-N 1 2 230.105 2.216 50 0 BEAALO CC(C)n1c2ccccc2[nH+]c1NCCO ZINC000005690118 342768409 /nfs/dbraw/zinc/76/84/09/342768409.db2.gz ALQHGOBGSFGCMS-UHFFFAOYSA-N 1 2 219.288 2.021 50 0 BEAALO CCN1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC000019537040 342951350 /nfs/dbraw/zinc/95/13/50/342951350.db2.gz QEAXYRHIIVMWJW-UHFFFAOYSA-N 1 2 248.370 2.141 50 0 BEAALO Cc1cn2cc(Br)ccc2[nH+]1 ZINC000020358097 342983613 /nfs/dbraw/zinc/98/36/13/342983613.db2.gz TVHRDJPRECFZQO-UHFFFAOYSA-N 1 2 211.062 2.405 50 0 BEAALO Cc1cc(C[N@H+](C)C[C@@H](O)c2ccccc2)no1 ZINC000020516111 342989179 /nfs/dbraw/zinc/98/91/79/342989179.db2.gz OBLIPPRYIJMTGW-CQSZACIVSA-N 1 2 246.310 2.148 50 0 BEAALO Cc1cc(C[N@@H+](C)C[C@@H](O)c2ccccc2)no1 ZINC000020516111 342989180 /nfs/dbraw/zinc/98/91/80/342989180.db2.gz OBLIPPRYIJMTGW-CQSZACIVSA-N 1 2 246.310 2.148 50 0 BEAALO CC(C)=CC[N@@H+]1CCC[C@@H]1c1noc(C)n1 ZINC000075573185 187234220 /nfs/dbraw/zinc/23/42/20/187234220.db2.gz LTUBQWMHTXVRMT-LLVKDONJSA-N 1 2 221.304 2.481 50 0 BEAALO CC(C)=CC[N@H+]1CCC[C@@H]1c1noc(C)n1 ZINC000075573185 187234222 /nfs/dbraw/zinc/23/42/22/187234222.db2.gz LTUBQWMHTXVRMT-LLVKDONJSA-N 1 2 221.304 2.481 50 0 BEAALO CC(=O)NCCCCCc1[nH]c2ccccc2[nH+]1 ZINC000006743431 187248806 /nfs/dbraw/zinc/24/88/06/187248806.db2.gz OVVVBYUXHNXCDZ-UHFFFAOYSA-N 1 2 245.326 2.412 50 0 BEAALO Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000032625286 343238984 /nfs/dbraw/zinc/23/89/84/343238984.db2.gz BGFBZVHGHDLVPZ-UHFFFAOYSA-N 1 2 213.284 2.469 50 0 BEAALO CCc1cc2c(ncnc2-n2cc[nH+]c2)s1 ZINC000048326310 343242592 /nfs/dbraw/zinc/24/25/92/343242592.db2.gz YDXPKCIMSYKISR-UHFFFAOYSA-N 1 2 230.296 2.439 50 0 BEAALO O=C(CCNc1cccc[nH+]1)NC1CCCCC1 ZINC000048608476 343392174 /nfs/dbraw/zinc/39/21/74/343392174.db2.gz MEIBEIIHINWRPS-UHFFFAOYSA-N 1 2 247.342 2.333 50 0 BEAALO CC(C)C[N@H+](Cc1ncc[nH]1)Cc1ccccn1 ZINC000055575979 343671177 /nfs/dbraw/zinc/67/11/77/343671177.db2.gz NSUQMBQJEAADAU-UHFFFAOYSA-N 1 2 244.342 2.463 50 0 BEAALO CC(C)C[N@@H+](Cc1ncc[nH]1)Cc1ccccn1 ZINC000055575979 343671180 /nfs/dbraw/zinc/67/11/80/343671180.db2.gz NSUQMBQJEAADAU-UHFFFAOYSA-N 1 2 244.342 2.463 50 0 BEAALO CCC(C)(CC)NC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000072310187 344467734 /nfs/dbraw/zinc/46/77/34/344467734.db2.gz KYQZNULKIALEHY-NSHDSACASA-N 1 2 249.358 2.455 50 0 BEAALO CC[C@](C)([NH2+]Cc1ccccc1)C(=O)OC ZINC000037952478 344912832 /nfs/dbraw/zinc/91/28/32/344912832.db2.gz VWZJRJFDEGQECF-ZDUSSCGKSA-N 1 2 221.300 2.118 50 0 BEAALO O[C@H](Cc1[nH]c2ccccc2[nH+]1)c1ccncc1 ZINC000034182398 346217871 /nfs/dbraw/zinc/21/78/71/346217871.db2.gz NBOWNOMUQNMZKA-CYBMUJFWSA-N 1 2 239.278 2.234 50 0 BEAALO Cc1cccc(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000015974355 179015446 /nfs/dbraw/zinc/01/54/46/179015446.db2.gz KTHZDKHDCIBZPG-UHFFFAOYSA-N 1 2 243.310 2.012 50 0 BEAALO Cc1cccc([C@H](O)c2c[nH]c[nH+]2)c1C ZINC000098210438 179202082 /nfs/dbraw/zinc/20/20/82/179202082.db2.gz PRCKVXIQIZUDDK-LBPRGKRZSA-N 1 2 202.257 2.108 50 0 BEAALO Cc1[nH+]c2ccccc2n1[C@@H]1CCC[C@H]1O ZINC000037489909 180102641 /nfs/dbraw/zinc/10/26/41/180102641.db2.gz BMHILEJFLIAHKZ-CHWSQXEVSA-N 1 2 216.284 2.431 50 0 BEAALO CC[N@H+](Cc1cccs1)[C@@H]1C[C@@H](C)OC1=O ZINC000222033068 350229555 /nfs/dbraw/zinc/22/95/55/350229555.db2.gz SODIJYHNZQMAKB-MWLCHTKSSA-N 1 2 239.340 2.274 50 0 BEAALO CC[N@@H+](Cc1cccs1)[C@@H]1C[C@@H](C)OC1=O ZINC000222033068 350229558 /nfs/dbraw/zinc/22/95/58/350229558.db2.gz SODIJYHNZQMAKB-MWLCHTKSSA-N 1 2 239.340 2.274 50 0 BEAALO Cc1[nH+]cnc(N(C)CC[C@H]2CCCCO2)c1C ZINC000091595758 180291323 /nfs/dbraw/zinc/29/13/23/180291323.db2.gz XOJWDNFSQDFGFQ-CYBMUJFWSA-N 1 2 249.358 2.489 50 0 BEAALO Cc1[nH+]cnc(NCc2cnn(C(C)C)c2)c1C ZINC000091562776 180291633 /nfs/dbraw/zinc/29/16/33/180291633.db2.gz SFIOQBKTENKNFN-UHFFFAOYSA-N 1 2 245.330 2.483 50 0 BEAALO Cc1cccc(C[C@@H](CO)Nc2cccc[nH+]2)c1 ZINC000276291773 188028611 /nfs/dbraw/zinc/02/86/11/188028611.db2.gz JXMBEDOCKMZLBW-AWEZNQCLSA-N 1 2 242.322 2.406 50 0 BEAALO C[C@H]1C[N@@H+]([C@H]2C[C@@H](C)OC2=O)[C@@H]1c1ccccc1 ZINC000252517959 363539516 /nfs/dbraw/zinc/53/95/16/363539516.db2.gz VZPKTQTXIBKXIT-XCCSTKFXSA-N 1 2 245.322 2.383 50 0 BEAALO C[C@H]1C[N@H+]([C@H]2C[C@@H](C)OC2=O)[C@@H]1c1ccccc1 ZINC000252517959 363539522 /nfs/dbraw/zinc/53/95/22/363539522.db2.gz VZPKTQTXIBKXIT-XCCSTKFXSA-N 1 2 245.322 2.383 50 0 BEAALO COc1ccc[nH+]c1N[C@@H]1COC(C)(C)C1 ZINC000396572978 357480789 /nfs/dbraw/zinc/48/07/89/357480789.db2.gz YWPSFIZQTJNOHF-VIFPVBQESA-N 1 2 222.288 2.070 50 0 BEAALO C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccccn1 ZINC000070443531 359054401 /nfs/dbraw/zinc/05/44/01/359054401.db2.gz RDOGAVVWTQSKIQ-MNOVXSKESA-N 1 2 230.315 2.227 50 0 BEAALO C[C@@H]1C[NH+](Cc2ccon2)C[C@@H](C)S1 ZINC000089937105 360050001 /nfs/dbraw/zinc/05/00/01/360050001.db2.gz NLYZUGFAXNYEPE-RKDXNWHRSA-N 1 2 212.318 2.000 50 0 BEAALO c1coc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000020536616 371292369 /nfs/dbraw/zinc/29/23/69/371292369.db2.gz OVDYXPQHDTUPJK-NSHDSACASA-N 1 2 231.299 2.382 50 0 BEAALO c1coc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000020536616 371292373 /nfs/dbraw/zinc/29/23/73/371292373.db2.gz OVDYXPQHDTUPJK-NSHDSACASA-N 1 2 231.299 2.382 50 0 BEAALO Cc1nc(C)n(CCc2[nH]c3ccccc3[nH+]2)n1 ZINC000004320269 372203089 /nfs/dbraw/zinc/20/30/89/372203089.db2.gz OSSLVAGTTANVCV-UHFFFAOYSA-N 1 2 241.298 2.014 50 0 BEAALO Cc1cccc(-c2noc(Cn3cc[nH+]c3)n2)c1 ZINC000042122647 374249840 /nfs/dbraw/zinc/24/98/40/374249840.db2.gz BIWDSBTXBHQKCJ-UHFFFAOYSA-N 1 2 240.266 2.290 50 0 BEAALO O[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000005117201 183228272 /nfs/dbraw/zinc/22/82/72/183228272.db2.gz HMMMTSXSWRPUOJ-LLVKDONJSA-N 1 2 222.675 2.270 50 0 BEAALO Oc1ccc(CCc2[nH+]cccc2O)cc1 ZINC000000186970 183269536 /nfs/dbraw/zinc/26/95/36/183269536.db2.gz HIVDAKFBUYFQNR-UHFFFAOYSA-N 1 2 215.252 2.278 50 0 BEAALO CCCNc1nc2c(cnn2C)c(NC(C)C)[nH+]1 ZINC000021929634 169296022 /nfs/dbraw/zinc/29/60/22/169296022.db2.gz KHMFXSCOFZALLB-UHFFFAOYSA-N 1 2 248.334 2.006 50 0 BEAALO Cc1cccc(/C=C\C(=O)NC2=[NH+]CCS2)c1 ZINC000096602538 383822295 /nfs/dbraw/zinc/82/22/95/383822295.db2.gz LZWRFWCOMJSHTN-WAYWQWQTSA-N 1 2 246.335 2.227 50 0 BEAALO FC(F)(F)c1ccc(-n2cc[nH+]c2)nc1 ZINC000000169762 383838618 /nfs/dbraw/zinc/83/86/18/383838618.db2.gz BEHWGLUHEGUQRD-UHFFFAOYSA-N 1 2 213.162 2.286 50 0 BEAALO c1ccc(C[N@@H+]2CCc3nnsc3C2)cc1 ZINC000000385845 383860661 /nfs/dbraw/zinc/86/06/61/383860661.db2.gz BBTICLGMNSWLFV-UHFFFAOYSA-N 1 2 231.324 2.096 50 0 BEAALO c1ccc(C[N@H+]2CCc3nnsc3C2)cc1 ZINC000000385845 383860666 /nfs/dbraw/zinc/86/06/66/383860666.db2.gz BBTICLGMNSWLFV-UHFFFAOYSA-N 1 2 231.324 2.096 50 0 BEAALO OCC1=C(F)C[N@H+](Cc2ccccc2)CC1 ZINC000035803673 383875838 /nfs/dbraw/zinc/87/58/38/383875838.db2.gz GXOKOTKUYVKLPJ-UHFFFAOYSA-N 1 2 221.275 2.108 50 0 BEAALO OCC1=C(F)C[N@@H+](Cc2ccccc2)CC1 ZINC000035803673 383875843 /nfs/dbraw/zinc/87/58/43/383875843.db2.gz GXOKOTKUYVKLPJ-UHFFFAOYSA-N 1 2 221.275 2.108 50 0 BEAALO CC1(C)CC(=O)C[N@@H+]1Cc1ccccc1 ZINC000088611794 383917922 /nfs/dbraw/zinc/91/79/22/383917922.db2.gz NTSWGFCAFRJPKH-UHFFFAOYSA-N 1 2 203.285 2.240 50 0 BEAALO CC1(C)CC(=O)C[N@H+]1Cc1ccccc1 ZINC000088611794 383917928 /nfs/dbraw/zinc/91/79/28/383917928.db2.gz NTSWGFCAFRJPKH-UHFFFAOYSA-N 1 2 203.285 2.240 50 0 BEAALO Cc1cc(-c2cc[nH+]c(NN)n2)c(C)s1 ZINC000067425331 383922789 /nfs/dbraw/zinc/92/27/89/383922789.db2.gz MCNGZYOEQGDHHA-UHFFFAOYSA-N 1 2 220.301 2.108 50 0 BEAALO CCc1ccc(CN(C)Cc2[nH+]ccn2C)o1 ZINC000097377037 384182869 /nfs/dbraw/zinc/18/28/69/384182869.db2.gz ULJHSDXTDCLCHX-UHFFFAOYSA-N 1 2 233.315 2.208 50 0 BEAALO COC(=O)C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000071915036 384186985 /nfs/dbraw/zinc/18/69/85/384186985.db2.gz BZBWBOSVLYJHHU-LLVKDONJSA-N 1 2 237.299 2.370 50 0 BEAALO COC(=O)C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000071915036 384186992 /nfs/dbraw/zinc/18/69/92/384186992.db2.gz BZBWBOSVLYJHHU-LLVKDONJSA-N 1 2 237.299 2.370 50 0 BEAALO Cc1ccn2cc(CNc3ncccn3)[nH+]c2c1 ZINC000048706809 384192736 /nfs/dbraw/zinc/19/27/36/384192736.db2.gz CCHVJGOKTHXBLE-UHFFFAOYSA-N 1 2 239.282 2.045 50 0 BEAALO COC(=O)C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000133625064 384304103 /nfs/dbraw/zinc/30/41/03/384304103.db2.gz PTPWFFZQLBEBNY-STQMWFEESA-N 1 2 233.311 2.085 50 0 BEAALO COC(=O)c1ccc(-n2cc[nH+]c2)cc1Cl ZINC000012336418 384310942 /nfs/dbraw/zinc/31/09/42/384310942.db2.gz VFHCVVCHWCLHAO-UHFFFAOYSA-N 1 2 236.658 2.312 50 0 BEAALO CCc1cc(NC[C@H]2CCCC[C@@]2(C)O)nc[nH+]1 ZINC000095376737 384371760 /nfs/dbraw/zinc/37/17/60/384371760.db2.gz UYGAGZLYVIDWIC-BXUZGUMPSA-N 1 2 249.358 2.392 50 0 BEAALO Cc1nnc(C[NH2+][C@H](C)c2ccccn2)s1 ZINC000309713190 384553911 /nfs/dbraw/zinc/55/39/11/384553911.db2.gz RPZJOPHUQDSFTD-MRVPVSSYSA-N 1 2 234.328 2.092 50 0 BEAALO C[C@@H]1[C@H](C)OCCN1c1[nH]c2ccccc2[nH+]1 ZINC000270562004 384537215 /nfs/dbraw/zinc/53/72/15/384537215.db2.gz JZIAIMDPJNHGMK-ZJUUUORDSA-N 1 2 231.299 2.177 50 0 BEAALO COC(=O)[C@H]([NH3+])c1ccc2ccccc2c1 ZINC000020169374 384589268 /nfs/dbraw/zinc/58/92/68/384589268.db2.gz OWSZMZAENZHDLB-GFCCVEGCSA-N 1 2 215.252 2.013 50 0 biogenic BEAALO C[C@@](O)(CNc1cccc[nH+]1)c1ccccc1 ZINC000079311309 384718079 /nfs/dbraw/zinc/71/80/79/384718079.db2.gz JLGQVLSMOLMIDA-CQSZACIVSA-N 1 2 228.295 2.401 50 0 BEAALO Cc1c(F)cccc1NCc1c[nH+]cn1C ZINC000085169446 384770645 /nfs/dbraw/zinc/77/06/45/384770645.db2.gz FKXRGNWQWBRVSW-UHFFFAOYSA-N 1 2 219.263 2.480 50 0 BEAALO CCCn1nc(C)c(C[NH2+]CC(F)F)c1C ZINC000290094963 384772536 /nfs/dbraw/zinc/77/25/36/384772536.db2.gz MXMXLXHZHMOWQN-UHFFFAOYSA-N 1 2 231.290 2.265 50 0 BEAALO FC[C@@H]1CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000292667448 384782753 /nfs/dbraw/zinc/78/27/53/384782753.db2.gz CWYXXRXIUWJRHZ-JTQLQIEISA-N 1 2 221.279 2.292 50 0 BEAALO c1ccc(N2CC[C@@H](C3CCOCC3)C2)[nH+]c1 ZINC000328586503 384946855 /nfs/dbraw/zinc/94/68/55/384946855.db2.gz SZECECMNOLXONF-CYBMUJFWSA-N 1 2 232.327 2.335 50 0 BEAALO Cc1c(CNc2cc[nH+]c(C3CC3)n2)cnn1C ZINC000128851593 385079117 /nfs/dbraw/zinc/07/91/17/385079117.db2.gz AOLSWZULRRFHNT-UHFFFAOYSA-N 1 2 243.314 2.008 50 0 BEAALO Cn1ncc2c1nc[nH+]c2Nc1ccc(F)cc1 ZINC000005347769 385031044 /nfs/dbraw/zinc/03/10/44/385031044.db2.gz NVKKWWLHTLDUBU-UHFFFAOYSA-N 1 2 243.245 2.246 50 0 BEAALO Cc1nc(N2CC[C@]3(CCOC3)C2)c(C)c(C)[nH+]1 ZINC000096474601 385191832 /nfs/dbraw/zinc/19/18/32/385191832.db2.gz MFZXHGNGWMJJSX-AWEZNQCLSA-N 1 2 247.342 2.019 50 0 BEAALO CCc1ccc(NC(=O)CCn2cc[nH+]c2)cc1 ZINC000021916629 385300134 /nfs/dbraw/zinc/30/01/34/385300134.db2.gz OUBIWQLBKOCDLX-UHFFFAOYSA-N 1 2 243.310 2.474 50 0 BEAALO CC(C)Oc1ccccc1-c1cc(N)nc(N)[nH+]1 ZINC000232693656 386735963 /nfs/dbraw/zinc/73/59/63/386735963.db2.gz QOWXIHNAQDBENE-UHFFFAOYSA-N 1 2 244.298 2.095 50 0 BEAALO Cc1[nH]ncc1C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000291476430 387490665 /nfs/dbraw/zinc/49/06/65/387490665.db2.gz FLKZWVKJQYJXLU-MRVPVSSYSA-N 1 2 229.274 2.195 50 0 BEAALO Cc1[nH]ncc1C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000291476430 387490672 /nfs/dbraw/zinc/49/06/72/387490672.db2.gz FLKZWVKJQYJXLU-MRVPVSSYSA-N 1 2 229.274 2.195 50 0 BEAALO CCOCCOc1ccc(C)[nH+]c1CC ZINC000190764415 387870842 /nfs/dbraw/zinc/87/08/42/387870842.db2.gz BYNALRCDYHNWCM-UHFFFAOYSA-N 1 2 209.289 2.368 50 0 BEAALO Cc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)on1 ZINC000245266995 388414812 /nfs/dbraw/zinc/41/48/12/388414812.db2.gz LARYEZURLACHHL-OLZOCXBDSA-N 1 2 236.315 2.126 50 0 BEAALO Cc1cc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)on1 ZINC000245266995 388414814 /nfs/dbraw/zinc/41/48/14/388414814.db2.gz LARYEZURLACHHL-OLZOCXBDSA-N 1 2 236.315 2.126 50 0 BEAALO O=C1OCC[C@H]1[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000069492646 388418096 /nfs/dbraw/zinc/41/80/96/388418096.db2.gz IZMJJSKCWHQUQA-KGLIPLIRSA-N 1 2 245.322 2.433 50 0 BEAALO c1ccc(N[C@@H]2CCC[C@H]3OCC[C@H]32)[nH+]c1 ZINC000225274214 388594828 /nfs/dbraw/zinc/59/48/28/388594828.db2.gz WSGJFAJTPSMXBT-QJPTWQEYSA-N 1 2 218.300 2.451 50 0 BEAALO Nc1c[nH+]cc(-n2cnc3ccccc32)c1 ZINC000065399257 388676400 /nfs/dbraw/zinc/67/64/00/388676400.db2.gz NGIAANBMBYGBMF-UHFFFAOYSA-N 1 2 210.240 2.003 50 0 BEAALO Cc1nc(N2CCOC[C@@H]2CC(C)C)cc[nH+]1 ZINC000097013881 388830681 /nfs/dbraw/zinc/83/06/81/388830681.db2.gz VGARPFLLQPVVIH-LBPRGKRZSA-N 1 2 235.331 2.036 50 0 BEAALO COC[C@@H]([NH2+]Cc1ncccc1C)c1ccco1 ZINC000097238400 388836178 /nfs/dbraw/zinc/83/61/78/388836178.db2.gz ATRUQMWCMGHICT-CYBMUJFWSA-N 1 2 246.310 2.460 50 0 BEAALO Cc1c[nH+]c(C)nc1N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000328600137 132243672 /nfs/dbraw/zinc/24/36/72/132243672.db2.gz VVIHWKMBXORONB-GWCFXTLKSA-N 1 2 247.342 2.097 50 0 BEAALO C[C@@]1(CO)CCC[C@@H]1Nc1cccc[nH+]1 ZINC000098013796 397804454 /nfs/dbraw/zinc/80/44/54/397804454.db2.gz DOBSILVWMKGTTF-JQWIXIFHSA-N 1 2 206.289 2.045 50 0 BEAALO C[C@@H]([NH2+]Cc1csnn1)c1cccc(O)c1 ZINC000037151707 397992439 /nfs/dbraw/zinc/99/24/39/397992439.db2.gz OYFAXHXCLPSZTQ-MRVPVSSYSA-N 1 2 235.312 2.095 50 0 BEAALO Brc1cccc2c1CC[NH+]=C2 ZINC000095910980 166102008 /nfs/dbraw/zinc/10/20/08/166102008.db2.gz YKZXVRNYHKWHQW-UHFFFAOYSA-N 1 2 210.074 2.424 50 0 BEAALO CC[NH2+]c1ccc(N)cc1Br ZINC000049844111 170174566 /nfs/dbraw/zinc/17/45/66/170174566.db2.gz OIXQVQVZVCVLFH-UHFFFAOYSA-N 1 2 215.094 2.463 50 0 BEAALO CCOC(=O)C[N@H+](Cc1cccs1)C1CC1 ZINC000042238744 170217768 /nfs/dbraw/zinc/21/77/68/170217768.db2.gz AHSMZFVCCMVYPF-UHFFFAOYSA-N 1 2 239.340 2.276 50 0 BEAALO CCOC(=O)C[N@@H+](Cc1cccs1)C1CC1 ZINC000042238744 170217769 /nfs/dbraw/zinc/21/77/69/170217769.db2.gz AHSMZFVCCMVYPF-UHFFFAOYSA-N 1 2 239.340 2.276 50 0 BEAALO CCOC(=O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000065624328 170220678 /nfs/dbraw/zinc/22/06/78/170220678.db2.gz ARKPDSSPTOQELQ-NSHDSACASA-N 1 2 239.340 2.448 50 0 BEAALO CCOC(=O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000065624328 170220679 /nfs/dbraw/zinc/22/06/79/170220679.db2.gz ARKPDSSPTOQELQ-NSHDSACASA-N 1 2 239.340 2.448 50 0 BEAALO CCOC(=O)[C@H]([NH3+])c1ccc(OC(C)C)cc1 ZINC000022204433 170276160 /nfs/dbraw/zinc/27/61/60/170276160.db2.gz CDTCQUWMAQENHB-GFCCVEGCSA-N 1 2 237.299 2.037 50 0 BEAALO CCOC(=O)[C@]1(Cc2ccccc2)CCCC[NH2+]1 ZINC000217039104 170285736 /nfs/dbraw/zinc/28/57/36/170285736.db2.gz JNYUQDQJTBQRCJ-OAHLLOKOSA-N 1 2 247.338 2.305 50 0 BEAALO CC[C@H](C)[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000042417217 171391875 /nfs/dbraw/zinc/39/18/75/171391875.db2.gz VRGQQBLIBHVYMT-IUCAKERBSA-N 1 2 233.319 2.210 50 0 BEAALO CCc1[nH+]c2ccccc2n1CCOC ZINC000012438442 172014021 /nfs/dbraw/zinc/01/40/21/172014021.db2.gz XWUHVNYZJZENJS-UHFFFAOYSA-N 1 2 204.273 2.245 50 0 BEAALO CCc1[nH+]cc([C@H](O)c2ccccc2)n1C ZINC000000182897 172023430 /nfs/dbraw/zinc/02/34/30/172023430.db2.gz UAZJDTSAQSFZKG-CYBMUJFWSA-N 1 2 216.284 2.064 50 0 BEAALO CCc1nsc(NCCc2[nH+]cccc2C)n1 ZINC000295812758 172105179 /nfs/dbraw/zinc/10/51/79/172105179.db2.gz UKXZUXJTIAILIH-UHFFFAOYSA-N 1 2 248.355 2.459 50 0 BEAALO C[NH+](C)/C=C/C(=O)Nc1ccc(Cl)cc1 ZINC000003125087 172349522 /nfs/dbraw/zinc/34/95/22/172349522.db2.gz LDPFBUDMJOEICG-BQYQJAHWSA-N 1 2 224.691 2.354 50 0 BEAALO C[N@@H+]1CCc2c3ccc(F)cc3[nH]c2C1 ZINC000034925340 173168344 /nfs/dbraw/zinc/16/83/44/173168344.db2.gz QODRDDGJXSQNFK-UHFFFAOYSA-N 1 2 204.248 2.295 50 0 BEAALO C[N@H+]1CCc2c3ccc(F)cc3[nH]c2C1 ZINC000034925340 173168345 /nfs/dbraw/zinc/16/83/45/173168345.db2.gz QODRDDGJXSQNFK-UHFFFAOYSA-N 1 2 204.248 2.295 50 0 BEAALO COc1ccc(-c2cc[nH+]c(N)c2)c(OC)c1 ZINC000065410019 175035979 /nfs/dbraw/zinc/03/59/79/175035979.db2.gz MGODIMHROPJQCU-UHFFFAOYSA-N 1 2 230.267 2.348 50 0 BEAALO COc1ccc(-c2[nH]cc[nH+]2)c(OC)c1C ZINC000065408926 175040316 /nfs/dbraw/zinc/04/03/16/175040316.db2.gz BANKCAMNYIPMOR-UHFFFAOYSA-N 1 2 218.256 2.402 50 0 BEAALO COc1ccc(C)cc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000054172228 175074571 /nfs/dbraw/zinc/07/45/71/175074571.db2.gz WQTJGKLUXAVLIJ-LBPRGKRZSA-N 1 2 235.327 2.224 50 0 BEAALO COc1ccc(C)cc1C[N@H+]1CCO[C@@H](C)C1 ZINC000054172228 175074572 /nfs/dbraw/zinc/07/45/72/175074572.db2.gz WQTJGKLUXAVLIJ-LBPRGKRZSA-N 1 2 235.327 2.224 50 0 BEAALO COc1ccc(C)cc1Cn1cc[nH+]c1 ZINC000040477627 175077087 /nfs/dbraw/zinc/07/70/87/175077087.db2.gz NPWPORQHHIFGHA-UHFFFAOYSA-N 1 2 202.257 2.248 50 0 BEAALO COc1ccc2[nH]c(N3CCCC3)[nH+]c2c1 ZINC000005075276 175201992 /nfs/dbraw/zinc/20/19/92/175201992.db2.gz BGWBDJYFNRCMMJ-UHFFFAOYSA-N 1 2 217.272 2.172 50 0 BEAALO COc1cccc(OCCCn2cc[nH+]c2)c1 ZINC000013284746 175283153 /nfs/dbraw/zinc/28/31/53/175283153.db2.gz QQCWWIKXBCYQHU-UHFFFAOYSA-N 1 2 232.283 2.361 50 0 BEAALO C[C@@H]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000058107428 176141688 /nfs/dbraw/zinc/14/16/88/176141688.db2.gz OOSFNDWFGAIFOS-OLZOCXBDSA-N 1 2 249.358 2.358 50 0 BEAALO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC000040479461 176304652 /nfs/dbraw/zinc/30/46/52/176304652.db2.gz ZQMFYXFYNGZBDL-SNVBAGLBSA-N 1 2 209.264 2.046 50 0 BEAALO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC000040479461 176304654 /nfs/dbraw/zinc/30/46/54/176304654.db2.gz ZQMFYXFYNGZBDL-SNVBAGLBSA-N 1 2 209.264 2.046 50 0 BEAALO C[C@@H]1C[C@@H](C(=O)NCc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC000097235822 176358720 /nfs/dbraw/zinc/35/87/20/176358720.db2.gz RXOBDRVVAUZKKE-GHMZBOCLSA-N 1 2 249.358 2.488 50 0 BEAALO C[C@H]1CC[C@H](C)N1c1nc[nH+]c(N)c1Cl ZINC000225481476 177199992 /nfs/dbraw/zinc/19/99/92/177199992.db2.gz XAHAYEVHJIXWEV-BQBZGAKWSA-N 1 2 226.711 2.089 50 0 BEAALO Cc1cnc(C[N@H+](C)Cc2ccnc(C)c2)cn1 ZINC000670456616 487510919 /nfs/dbraw/zinc/51/09/19/487510919.db2.gz TXQSPSBEXXCZPW-UHFFFAOYSA-N 1 2 242.326 2.120 50 0 BEAALO Cc1cnc(C[N@@H+](C)Cc2ccnc(C)c2)cn1 ZINC000670456616 487510922 /nfs/dbraw/zinc/51/09/22/487510922.db2.gz TXQSPSBEXXCZPW-UHFFFAOYSA-N 1 2 242.326 2.120 50 0 BEAALO O=C(C[C@@H]1C=CCC1)NCc1c[nH+]cn1C1CC1 ZINC000670464660 487517001 /nfs/dbraw/zinc/51/70/01/487517001.db2.gz WBHQVBVRYQUMKI-LLVKDONJSA-N 1 2 245.326 2.191 50 0 BEAALO CC(C)c1nccc(NCCCn2cc[nH+]c2)n1 ZINC000091424862 519878723 /nfs/dbraw/zinc/87/87/23/519878723.db2.gz DOLWBQMYFXYWJW-UHFFFAOYSA-N 1 2 245.330 2.299 50 0 BEAALO C[C@H]1C[C@@H]1C(=O)Oc1cccc(-n2cc[nH+]c2)c1 ZINC000071915236 524839323 /nfs/dbraw/zinc/83/93/23/524839323.db2.gz DXBMGLIRXIOWLC-GWCFXTLKSA-N 1 2 242.278 2.434 50 0 BEAALO c1cc([C@H]2CCC[N@@H+](CCOCC3CC3)C2)[nH]n1 ZINC000072296398 526436096 /nfs/dbraw/zinc/43/60/96/526436096.db2.gz UBJLJJGQFDENBT-ZDUSSCGKSA-N 1 2 249.358 2.016 50 0 BEAALO c1cc([C@H]2CCC[N@H+](CCOCC3CC3)C2)[nH]n1 ZINC000072296398 526436097 /nfs/dbraw/zinc/43/60/97/526436097.db2.gz UBJLJJGQFDENBT-ZDUSSCGKSA-N 1 2 249.358 2.016 50 0 BEAALO c1cc(-c2ccc(Cn3cc[nH+]c3)cc2)n[nH]1 ZINC000020212546 590086814 /nfs/dbraw/zinc/08/68/14/590086814.db2.gz XMUZZFSXDCJNBM-UHFFFAOYSA-N 1 2 224.267 2.322 50 0 BEAALO CCOc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000022170947 643495443 /nfs/dbraw/zinc/49/54/43/643495443.db2.gz GLUQNIGNQUXEJM-UHFFFAOYSA-N 1 2 205.261 2.028 50 0 BEAALO CC(C)(C)c1noc(/C=C/c2[nH]cc[nH+]2)n1 ZINC000585133416 972170303 /nfs/dbraw/zinc/17/03/03/972170303.db2.gz HOGBPWFDOBPNHF-SNAWJCMRSA-N 1 2 218.260 2.261 50 0 BEAALO Cc1cc(F)cc(NCc2[nH]cc[nH+]2)c1 ZINC000085729504 178079093 /nfs/dbraw/zinc/07/90/93/178079093.db2.gz RACUBWYKQGGKPN-UHFFFAOYSA-N 1 2 205.236 2.469 50 0 BEAALO Cc1cc(NN)c2cc(Cl)ccc2[nH+]1 ZINC000013214723 178176535 /nfs/dbraw/zinc/17/65/35/178176535.db2.gz TUDJVUZNZCVPTG-UHFFFAOYSA-N 1 2 207.664 2.482 50 0 BEAALO COc1ccc2c(c1)C1=C(CO2)[NH2+]CCC1 ZINC000526059849 361738133 /nfs/dbraw/zinc/73/81/33/361738133.db2.gz WRJDMZVNRVNWBT-UHFFFAOYSA-N 1 2 217.268 2.182 50 0 BEAALO Cc1cc(OCCO)c2cccc(C)c2[nH+]1 ZINC000053994801 178210649 /nfs/dbraw/zinc/21/06/49/178210649.db2.gz BVAUVOORCWCNOW-UHFFFAOYSA-N 1 2 217.268 2.223 50 0 BEAALO Cc1ccc(C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000034083828 178374621 /nfs/dbraw/zinc/37/46/21/178374621.db2.gz XFGFWLYWGWKWII-UHFFFAOYSA-N 1 2 200.241 2.144 50 0 BEAALO Cc1ccc(C(=O)N(C)Cc2[nH+]ccn2C)cc1 ZINC000032748128 178379246 /nfs/dbraw/zinc/37/92/46/178379246.db2.gz KZXFPKUSXCYACE-UHFFFAOYSA-N 1 2 243.310 2.001 50 0 BEAALO Cc1ccc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)o1 ZINC000253422907 178390557 /nfs/dbraw/zinc/39/05/57/178390557.db2.gz IHGLBNVHCYSSJF-JTQLQIEISA-N 1 2 245.282 2.288 50 0 BEAALO Nc1cc(C(F)(F)F)ccc1-n1cc[nH+]c1 ZINC000006650635 342780221 /nfs/dbraw/zinc/78/02/21/342780221.db2.gz IEYJZLLRDTWHPD-UHFFFAOYSA-N 1 2 227.189 2.473 50 0 BEAALO CCCn1c2ccc(N)cc2[nH+]c1[C@@H](C)O ZINC000014000463 342875655 /nfs/dbraw/zinc/87/56/55/342875655.db2.gz ZVGPUXKEXKLMPC-MRVPVSSYSA-N 1 2 219.288 2.082 50 0 BEAALO Cc1c[nH+]c([C@@H](C)NC(=O)OC(C)(C)C)n1C ZINC000015020951 342890680 /nfs/dbraw/zinc/89/06/80/342890680.db2.gz KYFYBQGIYQMLJJ-SECBINFHSA-N 1 2 239.319 2.314 50 0 BEAALO Clc1cccc(C[NH+]2CCOCC2)c1 ZINC000019633220 342952896 /nfs/dbraw/zinc/95/28/96/342952896.db2.gz NWMZWMSJQLEJTG-UHFFFAOYSA-N 1 2 211.692 2.172 50 0 BEAALO COC(=O)[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000019851036 342959972 /nfs/dbraw/zinc/95/99/72/342959972.db2.gz LKSNQOTUSKXUBR-QMMMGPOBSA-N 1 2 234.082 2.166 50 0 BEAALO Nc1ccc[nH+]c1N1CCc2ccccc21 ZINC000020353335 342982663 /nfs/dbraw/zinc/98/26/63/342982663.db2.gz ZCQRTPZZCMCRDX-UHFFFAOYSA-N 1 2 211.268 2.358 50 0 BEAALO CC(C)CC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000023319349 343063018 /nfs/dbraw/zinc/06/30/18/343063018.db2.gz KSNOLLNVLTVFTM-UHFFFAOYSA-N 1 2 245.326 2.039 50 0 BEAALO CCOC(=O)/C=C/c1ccc(N2CCCC2)[nH+]c1 ZINC000029786673 343146835 /nfs/dbraw/zinc/14/68/35/343146835.db2.gz SHNSYRIPSIMQJU-SOFGYWHQSA-N 1 2 246.310 2.258 50 0 BEAALO Cc1nc(C[N@@H+](C)C2CCCCC2)no1 ZINC000051127545 346932582 /nfs/dbraw/zinc/93/25/82/346932582.db2.gz DDGKNJPUGIESQL-UHFFFAOYSA-N 1 2 209.293 2.143 50 0 BEAALO Cc1nc(C[N@H+](C)C2CCCCC2)no1 ZINC000051127545 346932584 /nfs/dbraw/zinc/93/25/84/346932584.db2.gz DDGKNJPUGIESQL-UHFFFAOYSA-N 1 2 209.293 2.143 50 0 BEAALO Cc1cc(NC(=O)c2ccc(N)cc2F)cc[nH+]1 ZINC000092348452 344099484 /nfs/dbraw/zinc/09/94/84/344099484.db2.gz 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COC(=O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000053096025 386507209 /nfs/dbraw/zinc/50/72/09/386507209.db2.gz FODZDDIUETWJOE-VIFPVBQESA-N 1 2 225.313 2.058 50 0 BEAALO COC(=O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000053096025 386507223 /nfs/dbraw/zinc/50/72/23/386507223.db2.gz FODZDDIUETWJOE-VIFPVBQESA-N 1 2 225.313 2.058 50 0 BEAALO c1nnc(SCc2cn3ccccc3[nH+]2)s1 ZINC000047822864 387018562 /nfs/dbraw/zinc/01/85/62/387018562.db2.gz HPETYMJEZPWPFD-UHFFFAOYSA-N 1 2 248.336 2.478 50 0 BEAALO Cc1cc(C[N@@H+]2CCC[C@@](C)(F)C2)no1 ZINC000295400410 387144940 /nfs/dbraw/zinc/14/49/40/387144940.db2.gz LZLISYXGUNGUDY-LLVKDONJSA-N 1 2 212.268 2.307 50 0 BEAALO Cc1cc(C[N@H+]2CCC[C@@](C)(F)C2)no1 ZINC000295400410 387144945 /nfs/dbraw/zinc/14/49/45/387144945.db2.gz LZLISYXGUNGUDY-LLVKDONJSA-N 1 2 212.268 2.307 50 0 BEAALO Cc1cccc(-c2nc(Cn3cc[nH+]c3)no2)c1 ZINC000064543405 387214546 /nfs/dbraw/zinc/21/45/46/387214546.db2.gz JINGOFKISSKQOX-UHFFFAOYSA-N 1 2 240.266 2.290 50 0 BEAALO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCCC1 ZINC000036392812 387555462 /nfs/dbraw/zinc/55/54/62/387555462.db2.gz DJAVJIDLYYCKRF-UHFFFAOYSA-N 1 2 241.294 2.108 50 0 BEAALO O=Cc1sc2cccc3c(C=O)c[nH+]c1-n-2-3 ZINC000004263371 388397205 /nfs/dbraw/zinc/39/72/05/388397205.db2.gz JQVNHQGHCVJULP-UHFFFAOYSA-N 1 2 230.248 2.101 50 0 BEAALO Cc1[nH+]c[nH]c1CC(=O)Nc1cc(C)ccc1F ZINC000253421567 388591755 /nfs/dbraw/zinc/59/17/55/388591755.db2.gz YCEXGBNDHHQAJH-UHFFFAOYSA-N 1 2 247.273 2.347 50 0 BEAALO COC[C@H]([NH2+]Cc1ncccc1C)c1ccco1 ZINC000097238398 388835173 /nfs/dbraw/zinc/83/51/73/388835173.db2.gz ATRUQMWCMGHICT-ZDUSSCGKSA-N 1 2 246.310 2.460 50 0 BEAALO Cc1nc(N2CCc3ccccc3C2)cc[nH+]1 ZINC000266138964 132184640 /nfs/dbraw/zinc/18/46/40/132184640.db2.gz QAQJAJHRYKDDIJ-UHFFFAOYSA-N 1 2 225.295 2.348 50 0 BEAALO CC1=CC=CC(c2nc(C(C)C)no2)C1=[NH2+] ZINC000103421973 410892950 /nfs/dbraw/zinc/89/29/50/410892950.db2.gz TYQPVYPJSANJKS-BTWZHFOESA-N 1 2 217.272 2.323 50 0 BEAALO CCOC(=O)[C@H]1CC[C@@H](c2ccccc2)[NH2+]1 ZINC000051971697 170281314 /nfs/dbraw/zinc/28/13/14/170281314.db2.gz BJOUEZQMVVKCPC-NWDGAFQWSA-N 1 2 219.284 2.043 50 0 BEAALO CCOC(=O)c1c[nH+]c2ccc(F)cc2c1N ZINC000019702757 170302442 /nfs/dbraw/zinc/30/24/42/170302442.db2.gz XFWFXFVPVCAYMR-UHFFFAOYSA-N 1 2 234.230 2.133 50 0 BEAALO CCc1[nH+]cc([C@@H](O)c2ccc(C)cc2)n1C ZINC000000170138 172023686 /nfs/dbraw/zinc/02/36/86/172023686.db2.gz RLZMGGXEJXZNNS-AWEZNQCLSA-N 1 2 230.311 2.373 50 0 BEAALO CCc1[nH+]cc([C@@H](O)c2ccccc2OC)n1C ZINC000000237795 172023994 /nfs/dbraw/zinc/02/39/94/172023994.db2.gz ZTAYCNWHQGGYQX-AWEZNQCLSA-N 1 2 246.310 2.073 50 0 BEAALO CCc1ncnc(Nc2ccc(NC)[nH+]c2)c1F ZINC000271214955 172033124 /nfs/dbraw/zinc/03/31/24/172033124.db2.gz TWAZWGOTMPAVRQ-UHFFFAOYSA-N 1 2 247.277 2.358 50 0 BEAALO CCn1c2cccc(F)c2nc1Cn1cc[nH+]c1 ZINC000069596360 172145910 /nfs/dbraw/zinc/14/59/10/172145910.db2.gz SKJKNBSJUPAVDF-UHFFFAOYSA-N 1 2 244.273 2.440 50 0 BEAALO C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000089385664 173102185 /nfs/dbraw/zinc/10/21/85/173102185.db2.gz CNEZNODSSKVUQS-LLVKDONJSA-N 1 2 211.692 2.343 50 0 BEAALO C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000089385664 173102186 /nfs/dbraw/zinc/10/21/86/173102186.db2.gz CNEZNODSSKVUQS-LLVKDONJSA-N 1 2 211.692 2.343 50 0 BEAALO COc1cc2c(cc1-c1[nH]cc[nH+]1)OCCCO2 ZINC000067871410 175020501 /nfs/dbraw/zinc/02/05/01/175020501.db2.gz CVKJZNANZJBYIH-UHFFFAOYSA-N 1 2 246.266 2.247 50 0 BEAALO COc1ccc(-c2c[nH]c(C)[nH+]2)c(OC)c1OC ZINC000019771129 175030101 /nfs/dbraw/zinc/03/01/01/175030101.db2.gz SYPXGJHMYXLOJX-UHFFFAOYSA-N 1 2 248.282 2.411 50 0 BEAALO COc1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC000022200986 175033775 /nfs/dbraw/zinc/03/37/75/175033775.db2.gz CSWWIPYFIQSGFG-UHFFFAOYSA-N 1 2 200.241 2.339 50 0 BEAALO COc1ccc([NH2+]C2CCOCC2)cc1 ZINC000020249496 175149717 /nfs/dbraw/zinc/14/97/17/175149717.db2.gz VZHPVWDYTQYGFB-UHFFFAOYSA-N 1 2 207.273 2.286 50 0 BEAALO COc1ccccc1/C=C/C[NH+]1CCOCC1 ZINC000023281111 175314557 /nfs/dbraw/zinc/31/45/57/175314557.db2.gz QHDQCPYBAQHRHA-GQCTYLIASA-N 1 2 233.311 2.041 50 0 BEAALO CSCCCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000096489220 175485400 /nfs/dbraw/zinc/48/54/00/175485400.db2.gz GUFCKEHLAFHDJT-UHFFFAOYSA-N 1 2 239.344 2.265 50 0 BEAALO C[C@@H]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000058107441 176121552 /nfs/dbraw/zinc/12/15/52/176121552.db2.gz OOSFNDWFGAIFOS-CHWSQXEVSA-N 1 2 249.358 2.358 50 0 BEAALO C[C@@H]1C[NH+]=C(Nc2cccc(O)c2)S1 ZINC000004047812 176323962 /nfs/dbraw/zinc/32/39/62/176323962.db2.gz WAICHRCMCQSSEP-SSDOTTSWSA-N 1 2 208.286 2.295 50 0 BEAALO C[C@H]1CC(=O)C[N@@H+](Cc2ccccc2)C1 ZINC000068593097 177061489 /nfs/dbraw/zinc/06/14/89/177061489.db2.gz LQHLLGBMPQNQLJ-NSHDSACASA-N 1 2 203.285 2.098 50 0 BEAALO C[C@H]1CC(=O)C[N@H+](Cc2ccccc2)C1 ZINC000068593097 177061493 /nfs/dbraw/zinc/06/14/93/177061493.db2.gz LQHLLGBMPQNQLJ-NSHDSACASA-N 1 2 203.285 2.098 50 0 BEAALO Cc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)no1 ZINC000245285842 487692490 /nfs/dbraw/zinc/69/24/90/487692490.db2.gz YZNQZLISJYICKU-CHWSQXEVSA-N 1 2 236.315 2.126 50 0 BEAALO Cc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)no1 ZINC000245285842 487692492 /nfs/dbraw/zinc/69/24/92/487692492.db2.gz YZNQZLISJYICKU-CHWSQXEVSA-N 1 2 236.315 2.126 50 0 BEAALO C[C@H](N[C@@H](C)c1[nH+]ccn1C)c1cscn1 ZINC000566865152 326089928 /nfs/dbraw/zinc/08/99/28/326089928.db2.gz USHZXCKBKDDEAS-IUCAKERBSA-N 1 2 236.344 2.288 50 0 BEAALO CCOCCn1c(C)[nH+]c2ccccc21 ZINC000002318248 488009943 /nfs/dbraw/zinc/00/99/43/488009943.db2.gz NMYVAUGOQOQAFB-UHFFFAOYSA-N 1 2 204.273 2.381 50 0 BEAALO CC[C@H]1CC[N@H+](Cc2nc(C(F)(F)F)no2)C1 ZINC000670451137 487502600 /nfs/dbraw/zinc/50/26/00/487502600.db2.gz AUXCHXFHOSRWIZ-ZETCQYMHSA-N 1 2 249.236 2.320 50 0 BEAALO CC[C@H]1CC[N@@H+](Cc2nc(C(F)(F)F)no2)C1 ZINC000670451137 487502607 /nfs/dbraw/zinc/50/26/07/487502607.db2.gz AUXCHXFHOSRWIZ-ZETCQYMHSA-N 1 2 249.236 2.320 50 0 BEAALO COC(=O)[C@@](C)([NH3+])c1ccccc1C(F)(F)F ZINC000037514700 523819010 /nfs/dbraw/zinc/81/90/10/523819010.db2.gz KUPGWMNVPSHOKW-JTQLQIEISA-N 1 2 247.216 2.052 50 0 biogenic BEAALO c1cn(Cc2ccc(-c3cncnc3)cc2)c[nH+]1 ZINC000029131227 636109932 /nfs/dbraw/zinc/10/99/32/636109932.db2.gz WCJRWPHNXJZMKF-UHFFFAOYSA-N 1 2 236.278 2.388 50 0 BEAALO CCC(CC)C(=O)NCCCCn1cc[nH+]c1 ZINC000041533832 168337357 /nfs/dbraw/zinc/33/73/57/168337357.db2.gz QCJUJLPIGZDTJV-UHFFFAOYSA-N 1 2 237.347 2.216 50 0 BEAALO Cc1cc(N)nc(Nc2ccccc2C)[nH+]1 ZINC000075156672 178108844 /nfs/dbraw/zinc/10/88/44/178108844.db2.gz ACFMKOJTSIXYSV-UHFFFAOYSA-N 1 2 214.272 2.419 50 0 BEAALO Cc1cc(NC(=O)N2CCO[C@@H](C)[C@@H]2C)cc[nH+]1 ZINC000097048795 178137398 /nfs/dbraw/zinc/13/73/98/178137398.db2.gz XONISPZCCCJNSX-QWRGUYRKSA-N 1 2 249.314 2.031 50 0 BEAALO Cc1cc2[nH+]cn(-c3cncnc3)c2cc1C ZINC000065492419 178305686 /nfs/dbraw/zinc/30/56/86/178305686.db2.gz CILZFRCSAZQYGE-UHFFFAOYSA-N 1 2 224.267 2.432 50 0 BEAALO O=C(C[NH+]1CCCCC1)c1ccc2c(c1)OCO2 ZINC000000296939 342682585 /nfs/dbraw/zinc/68/25/85/342682585.db2.gz BXHHJRHONZVBJK-UHFFFAOYSA-N 1 2 247.294 2.084 50 0 BEAALO Cc1ccc(NC(=O)Cn2cc[nH+]c2)cc1C ZINC000000053738 342671582 /nfs/dbraw/zinc/67/15/82/342671582.db2.gz ZOJVBEHYEJFZEC-UHFFFAOYSA-N 1 2 229.283 2.139 50 0 BEAALO Nc1c2ccccc2[nH+]c2c1C(=O)CCC2 ZINC000002476618 342721249 /nfs/dbraw/zinc/72/12/49/342721249.db2.gz JUSJJSHTMCPMOX-UHFFFAOYSA-N 1 2 212.252 2.336 50 0 in-vitro BEAALO COCCn1c[nH+]c2cc(C)c(C)cc21 ZINC000002668928 342726503 /nfs/dbraw/zinc/72/65/03/342726503.db2.gz MTCVKMZYOBRKHW-UHFFFAOYSA-N 1 2 204.273 2.300 50 0 BEAALO Cn1cc[nH+]c1CNc1ccc(F)cc1F ZINC000034937794 342733119 /nfs/dbraw/zinc/73/31/19/342733119.db2.gz VQESXECJKTXTGF-UHFFFAOYSA-N 1 2 223.226 2.310 50 0 BEAALO Cc1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)s1 ZINC000042511358 178431015 /nfs/dbraw/zinc/43/10/15/178431015.db2.gz DLTPFNMXBUDSKO-SECBINFHSA-N 1 2 249.339 2.072 50 0 BEAALO Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000012062421 342846106 /nfs/dbraw/zinc/84/61/06/342846106.db2.gz DWAVZZPMTMHXDU-UHFFFAOYSA-N 1 2 213.284 2.469 50 0 BEAALO Cc1c[nH]c([C@@H](C)NC(=O)OC(C)(C)C)[nH+]1 ZINC000015020959 342890720 /nfs/dbraw/zinc/89/07/20/342890720.db2.gz NBWALRILKODKTK-MRVPVSSYSA-N 1 2 225.292 2.304 50 0 BEAALO Cc1cc(Br)c2[nH+]ccn2c1 ZINC000015021375 342890891 /nfs/dbraw/zinc/89/08/91/342890891.db2.gz IEXMXPBKRWDOBC-UHFFFAOYSA-N 1 2 211.062 2.405 50 0 BEAALO Cn1cc(C[N@H+](C)Cc2ccccc2F)cn1 ZINC000016971548 342918087 /nfs/dbraw/zinc/91/80/87/342918087.db2.gz BAYIRZSSEZSZMG-UHFFFAOYSA-N 1 2 233.290 2.191 50 0 BEAALO Cn1cc(C[N@@H+](C)Cc2ccccc2F)cn1 ZINC000016971548 342918088 /nfs/dbraw/zinc/91/80/88/342918088.db2.gz BAYIRZSSEZSZMG-UHFFFAOYSA-N 1 2 233.290 2.191 50 0 BEAALO Clc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000019638949 342952822 /nfs/dbraw/zinc/95/28/22/342952822.db2.gz FLLBKNVHCDOVQG-UHFFFAOYSA-N 1 2 241.718 2.051 50 0 BEAALO COC(=O)[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000020146315 342972212 /nfs/dbraw/zinc/97/22/12/342972212.db2.gz QAOMIBWFHLOTTI-QMMMGPOBSA-N 1 2 234.082 2.166 50 0 BEAALO CCc1cc(C[N@H+](C)Cc2c(C)noc2C)on1 ZINC000215394796 136277713 /nfs/dbraw/zinc/27/77/13/136277713.db2.gz IYHRGCNJDWMBAM-UHFFFAOYSA-N 1 2 249.314 2.474 50 0 BEAALO CCc1cc(C[N@@H+](C)Cc2c(C)noc2C)on1 ZINC000215394796 136277714 /nfs/dbraw/zinc/27/77/14/136277714.db2.gz IYHRGCNJDWMBAM-UHFFFAOYSA-N 1 2 249.314 2.474 50 0 BEAALO Cc1cnn(C2C[NH+](Cc3ccc(F)cc3)C2)c1 ZINC000072253837 343353469 /nfs/dbraw/zinc/35/34/69/343353469.db2.gz ORBAGOQBHNEGTI-UHFFFAOYSA-N 1 2 245.301 2.388 50 0 BEAALO Cc1cccc(C)c1NC(=O)Cn1cc[nH+]c1 ZINC000010809222 179041165 /nfs/dbraw/zinc/04/11/65/179041165.db2.gz CIOKYSHWXMIVNE-UHFFFAOYSA-N 1 2 229.283 2.139 50 0 BEAALO Cc1cccc(NC(=O)NCCc2c[nH+]c[nH]2)c1 ZINC000009875811 179134478 /nfs/dbraw/zinc/13/44/78/179134478.db2.gz KVVRSBVHGXXVNB-UHFFFAOYSA-N 1 2 244.298 2.082 50 0 BEAALO Cc1cccc(NC(=O)NCCc2c[nH]c[nH+]2)c1 ZINC000009875811 179134480 /nfs/dbraw/zinc/13/44/80/179134480.db2.gz KVVRSBVHGXXVNB-UHFFFAOYSA-N 1 2 244.298 2.082 50 0 BEAALO Cc1cccc(NCc2[nH+]ccn2C)c1F ZINC000132529329 179152402 /nfs/dbraw/zinc/15/24/02/179152402.db2.gz MMHYAVQABZGWHR-UHFFFAOYSA-N 1 2 219.263 2.480 50 0 BEAALO Cc1ccc(NC(=O)Cn2cc[nH+]c2)cc1Cl ZINC000010809237 347204014 /nfs/dbraw/zinc/20/40/14/347204014.db2.gz ABIUJFJSWMSPCX-UHFFFAOYSA-N 1 2 249.701 2.484 50 0 BEAALO Cc1ccccc1NC(=O)NCCn1cc[nH+]c1 ZINC000040525331 179300997 /nfs/dbraw/zinc/30/09/97/179300997.db2.gz GDXOQNIMZAEBQX-UHFFFAOYSA-N 1 2 244.298 2.013 50 0 BEAALO Cc1[nH+]cnc(N[C@H](C)CCn2cccn2)c1C ZINC000091626396 180291094 /nfs/dbraw/zinc/29/10/94/180291094.db2.gz DRDJICBERYVABC-SNVBAGLBSA-N 1 2 245.330 2.181 50 0 BEAALO Cc1c(Cl)cccc1NC(=O)Cn1cc[nH+]c1 ZINC000029594085 352672001 /nfs/dbraw/zinc/67/20/01/352672001.db2.gz QDBYITIOLFGQAE-UHFFFAOYSA-N 1 2 249.701 2.484 50 0 BEAALO COC(=O)[C@@H]([NH3+])c1cccc(Cl)c1Cl ZINC000037459751 363207668 /nfs/dbraw/zinc/20/76/68/363207668.db2.gz RIAVGLDRZKVQHO-QMMMGPOBSA-N 1 2 234.082 2.166 50 0 biogenic BEAALO c1ccc2[nH]c(C[N@H+]3CC=CCC3)nc2c1 ZINC000019923896 188173924 /nfs/dbraw/zinc/17/39/24/188173924.db2.gz AJSAHKHRKSGBJI-UHFFFAOYSA-N 1 2 213.284 2.325 50 0 BEAALO c1ccc2[nH]c(C[N@@H+]3CC=CCC3)nc2c1 ZINC000019923896 188173926 /nfs/dbraw/zinc/17/39/26/188173926.db2.gz AJSAHKHRKSGBJI-UHFFFAOYSA-N 1 2 213.284 2.325 50 0 BEAALO [NH2+]=C(NCc1ccccc1)c1ccco1 ZINC000215980683 181199223 /nfs/dbraw/zinc/19/92/23/181199223.db2.gz SDPWOKXFUZYVSF-UHFFFAOYSA-N 1 2 200.241 2.395 50 0 BEAALO [NH2+]=C1Sc2ccccc2C2=NCCCN12 ZINC000003993826 181207383 /nfs/dbraw/zinc/20/73/83/181207383.db2.gz JNENSSREQFBZGT-UHFFFAOYSA-N 1 2 217.297 2.179 50 0 in-vitro BEAALO NC(=O)CCCCSc1[nH+]cc2ccccn21 ZINC000065724419 181221253 /nfs/dbraw/zinc/22/12/53/181221253.db2.gz JTIRISYFTVPSQS-UHFFFAOYSA-N 1 2 249.339 2.082 50 0 BEAALO CCc1c[nH+]c(C)nc1NCc1cnc(C)cn1 ZINC000065508137 361581814 /nfs/dbraw/zinc/58/18/14/361581814.db2.gz SFAKEEBJRSHFSO-UHFFFAOYSA-N 1 2 243.314 2.058 50 0 BEAALO Nc1ccc(-c2[nH]c3c(cccc3N)[nH+]2)cc1 ZINC000000801193 368062148 /nfs/dbraw/zinc/06/21/48/368062148.db2.gz 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/nfs/dbraw/zinc/37/38/55/388373855.db2.gz DMDCCZHVBDADCN-UHFFFAOYSA-N 1 2 244.342 2.108 50 0 BEAALO CN(C)c1cccc(C[N@@H+](C)Cc2ncc[nH]2)c1 ZINC000089922549 388373856 /nfs/dbraw/zinc/37/38/56/388373856.db2.gz DMDCCZHVBDADCN-UHFFFAOYSA-N 1 2 244.342 2.108 50 0 BEAALO CCC[C@H](C)C(=O)NCc1cc[nH+]c(N(C)C)c1 ZINC000040087650 388411928 /nfs/dbraw/zinc/41/19/28/388411928.db2.gz KGSYEIQALLPANR-NSHDSACASA-N 1 2 249.358 2.200 50 0 BEAALO CC[C@H](C)[C@](C)(O)CNc1cccc[nH+]1 ZINC000079002725 388743231 /nfs/dbraw/zinc/74/32/31/388743231.db2.gz OBFAPYFPDNKHGS-CMPLNLGQSA-N 1 2 208.305 2.291 50 0 BEAALO CN(C)c1ccccc1N(C)Cc1[nH]cc[nH+]1 ZINC000095977672 388798287 /nfs/dbraw/zinc/79/82/87/388798287.db2.gz RYNWMHBVAVDJHL-UHFFFAOYSA-N 1 2 230.315 2.112 50 0 BEAALO CCc1c(NCc2[nH]cc[nH+]2)cnn1CC(C)C ZINC000095988519 388799369 /nfs/dbraw/zinc/79/93/69/388799369.db2.gz JEJQWGAFIFRTOH-UHFFFAOYSA-N 1 2 247.346 2.437 50 0 BEAALO Cc1cc(N2CCOCC2)[nH+]c2ccc(O)cc12 ZINC000000323032 132313378 /nfs/dbraw/zinc/31/33/78/132313378.db2.gz HQUGAHNKHMZBPO-UHFFFAOYSA-N 1 2 244.294 2.085 50 0 BEAALO CC(C)[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000020143828 132330046 /nfs/dbraw/zinc/33/00/46/132330046.db2.gz WYZBSJRPNJGDJW-UHFFFAOYSA-N 1 2 220.316 2.344 50 0 BEAALO C[C@H]1CSCC[N@@H+]1Cc1ccncc1F ZINC000336217355 134137283 /nfs/dbraw/zinc/13/72/83/134137283.db2.gz DFHQOPBDLTYFKO-VIFPVBQESA-N 1 2 226.320 2.158 50 0 BEAALO C/C=C/C=C/C(=O)Nc1cc[nH+]c(C)c1 ZINC000071900258 397923367 /nfs/dbraw/zinc/92/33/67/397923367.db2.gz CGIPFYWRRWKCOQ-VNKDHWASSA-N 1 2 202.257 2.461 50 0 BEAALO CC[C@@H](NC(=O)C=C(C)C1CC1)c1[nH]cc[nH+]1 ZINC000222333480 398124034 /nfs/dbraw/zinc/12/40/34/398124034.db2.gz AFBLHSUZGGPFAN-ANYFNZRUSA-N 1 2 233.315 2.333 50 0 BEAALO CC[C@@H](NC(=O)/C=C(\C)C1CC1)c1[nH]cc[nH+]1 ZINC000222333480 398124037 /nfs/dbraw/zinc/12/40/37/398124037.db2.gz AFBLHSUZGGPFAN-ANYFNZRUSA-N 1 2 233.315 2.333 50 0 BEAALO Brc1ccnc(-n2cc[nH+]c2)c1 ZINC000042750206 166102547 /nfs/dbraw/zinc/10/25/47/166102547.db2.gz GEIOPZBBECFOOM-UHFFFAOYSA-N 1 2 224.061 2.030 50 0 BEAALO CCOC(=O)Cc1[nH+]ccn1Cc1ccccc1 ZINC000036379606 170236802 /nfs/dbraw/zinc/23/68/02/170236802.db2.gz BOESBLDUIUDORC-UHFFFAOYSA-N 1 2 244.294 2.037 50 0 BEAALO CCOC(=O)[C@@H]([NH3+])c1cccc2ccccc21 ZINC000037514901 170254872 /nfs/dbraw/zinc/25/48/72/170254872.db2.gz JUADKWTZIPWOLO-ZDUSSCGKSA-N 1 2 229.279 2.403 50 0 biogenic BEAALO CC[C@@](C)([NH2+]Cc1ccccc1)C(=O)OC ZINC000037952479 171176217 /nfs/dbraw/zinc/17/62/17/171176217.db2.gz VWZJRJFDEGQECF-CYBMUJFWSA-N 1 2 221.300 2.118 50 0 BEAALO CC[C@H](C(=O)NC1=[NH+]CCS1)c1ccccc1 ZINC000005476395 171226872 /nfs/dbraw/zinc/22/68/72/171226872.db2.gz DYBQJKFWWGUNIF-NSHDSACASA-N 1 2 248.351 2.399 50 0 BEAALO COCC[N@H+](CC(F)F)[C@@H]1C=CCCC1 ZINC000066532616 174288763 /nfs/dbraw/zinc/28/87/63/174288763.db2.gz MMYCRMCHNPLFAA-SNVBAGLBSA-N 1 2 219.275 2.309 50 0 BEAALO COCC[N@@H+](CC(F)F)[C@@H]1C=CCCC1 ZINC000066532616 174288765 /nfs/dbraw/zinc/28/87/65/174288765.db2.gz MMYCRMCHNPLFAA-SNVBAGLBSA-N 1 2 219.275 2.309 50 0 BEAALO COCCSCc1cc[nH+]c(N(C)C)c1 ZINC000096006609 174376658 /nfs/dbraw/zinc/37/66/58/174376658.db2.gz FLVZITRZBFYCPD-UHFFFAOYSA-N 1 2 226.345 2.027 50 0 BEAALO COc1ccc(C[NH2+]Cc2cn[nH]c2C)cc1 ZINC000035273928 175108809 /nfs/dbraw/zinc/10/88/09/175108809.db2.gz IXWWIPAFXZJDDL-UHFFFAOYSA-N 1 2 231.299 2.017 50 0 BEAALO COc1ccc([NH2+]C[C@@H]2CCOC2)cc1 ZINC000019964862 175151293 /nfs/dbraw/zinc/15/12/93/175151293.db2.gz MOKHPDAMAWUTHI-JTQLQIEISA-N 1 2 207.273 2.144 50 0 BEAALO COc1cccc(OC)c1-c1c[nH]c(C)[nH+]1 ZINC000019790086 175281065 /nfs/dbraw/zinc/28/10/65/175281065.db2.gz UUQMFYWQHXMQOM-UHFFFAOYSA-N 1 2 218.256 2.402 50 0 BEAALO C[C@@H](OC(=O)[C@H]1CCCC[N@@H+]1C)c1cccnc1 ZINC000095962716 176001825 /nfs/dbraw/zinc/00/18/25/176001825.db2.gz HUKXNULISVPKPZ-DGCLKSJQSA-N 1 2 248.326 2.170 50 0 BEAALO C[C@@H](OC(=O)[C@H]1CCCC[N@H+]1C)c1cccnc1 ZINC000095962716 176001826 /nfs/dbraw/zinc/00/18/26/176001826.db2.gz HUKXNULISVPKPZ-DGCLKSJQSA-N 1 2 248.326 2.170 50 0 BEAALO C[C@@H]1C[N@H+](Cc2cccc(F)c2)CCO1 ZINC000040479423 176306260 /nfs/dbraw/zinc/30/62/60/176306260.db2.gz SURLLSFQMZLPCF-SNVBAGLBSA-N 1 2 209.264 2.046 50 0 BEAALO C[C@@H]1C[N@@H+](Cc2cccc(F)c2)CCO1 ZINC000040479423 176306262 /nfs/dbraw/zinc/30/62/62/176306262.db2.gz SURLLSFQMZLPCF-SNVBAGLBSA-N 1 2 209.264 2.046 50 0 BEAALO C[C@@H]1CSC(SCc2[nH+]ccn2C)=N1 ZINC000155541676 176349507 /nfs/dbraw/zinc/34/95/07/176349507.db2.gz ZQXDSPAEPBQVKU-SSDOTTSWSA-N 1 2 227.358 2.145 50 0 BEAALO C[C@@H]1C[N@@H+](Cc2cscn2)C[C@H](C)S1 ZINC000098015857 177271032 /nfs/dbraw/zinc/27/10/32/177271032.db2.gz GTUHFJUZVODZDL-DTORHVGOSA-N 1 2 228.386 2.469 50 0 BEAALO C[C@@H]1C[N@H+](Cc2cscn2)C[C@H](C)S1 ZINC000098015857 177271033 /nfs/dbraw/zinc/27/10/33/177271033.db2.gz GTUHFJUZVODZDL-DTORHVGOSA-N 1 2 228.386 2.469 50 0 BEAALO CC(=O)CSCc1cn2ccccc2[nH+]1 ZINC000081272925 487778153 /nfs/dbraw/zinc/77/81/53/487778153.db2.gz YJPBMDRVVCMGHS-UHFFFAOYSA-N 1 2 220.297 2.157 50 0 BEAALO COCCOc1ccc(-c2c[nH]c(C)[nH+]2)cc1 ZINC000534670923 323158791 /nfs/dbraw/zinc/15/87/91/323158791.db2.gz KCEHXRDZFAAAHB-UHFFFAOYSA-N 1 2 232.283 2.410 50 0 BEAALO CCc1c[nH+]c(C)nc1NCCc1nccs1 ZINC000670448166 487497752 /nfs/dbraw/zinc/49/77/52/487497752.db2.gz NOEBXTGFAKJLJW-UHFFFAOYSA-N 1 2 248.355 2.459 50 0 BEAALO CCc1cc(Br)c(C)[nH+]c1N ZINC000145982538 523744489 /nfs/dbraw/zinc/74/44/89/523744489.db2.gz NKZWFTVDSOFZLY-UHFFFAOYSA-N 1 2 215.094 2.297 50 0 BEAALO O=C(NCCCCn1cc[nH+]c1)c1cccs1 ZINC000025990984 527654948 /nfs/dbraw/zinc/65/49/48/527654948.db2.gz JADYERCEZASDCW-UHFFFAOYSA-N 1 2 249.339 2.155 50 0 BEAALO COC1CC[NH+](c2ccc(O)cc2)CC1 ZINC000261494203 536758152 /nfs/dbraw/zinc/75/81/52/536758152.db2.gz RVDCZEPVPBDGKO-UHFFFAOYSA-N 1 2 207.273 2.007 50 0 BEAALO CNc1[nH]c2ccc(Br)cc2[nH+]1 ZINC000082740686 634541959 /nfs/dbraw/zinc/54/19/59/634541959.db2.gz DFRSYVJABDOPAN-UHFFFAOYSA-N 1 2 226.077 2.367 50 0 BEAALO CNc1[nH]c2cc(Br)ccc2[nH+]1 ZINC000082740686 634541962 /nfs/dbraw/zinc/54/19/62/634541962.db2.gz DFRSYVJABDOPAN-UHFFFAOYSA-N 1 2 226.077 2.367 50 0 BEAALO Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H](O)[C@H](F)C1 ZINC000952987891 644449152 /nfs/dbraw/zinc/44/91/52/644449152.db2.gz LXAWBPJZSKWXSX-VXGBXAGGSA-N 1 2 243.709 2.163 50 0 BEAALO Cc1cc(Cl)ccc1C[N@H+]1C[C@@H](O)[C@H](F)C1 ZINC000952987891 644449155 /nfs/dbraw/zinc/44/91/55/644449155.db2.gz LXAWBPJZSKWXSX-VXGBXAGGSA-N 1 2 243.709 2.163 50 0 BEAALO Cc1[nH+]c([C@@H](O)C(F)(F)F)c2n1CCCC2 ZINC000828577619 968796254 /nfs/dbraw/zinc/79/62/54/968796254.db2.gz DXAVDYOKDCWNSL-SECBINFHSA-N 1 2 234.221 2.124 50 0 BEAALO Fc1c[nH+]ccc1NCCCC[C@H]1CCCO1 ZINC001506398131 988772131 /nfs/dbraw/zinc/77/21/31/988772131.db2.gz HDVCXPROPOOQNE-NSHDSACASA-N 1 2 238.306 2.404 50 0 BEAALO CCc1[nH+]ccn1CCc1n[nH]c(CC(C)C)n1 ZINC000065458026 136210779 /nfs/dbraw/zinc/21/07/79/136210779.db2.gz LPXCUBGCAUGBOJ-UHFFFAOYSA-N 1 2 247.346 2.005 50 0 BEAALO CCc1[nH+]ccn1CCc1nc(CC(C)C)n[nH]1 ZINC000065458026 136210780 /nfs/dbraw/zinc/21/07/80/136210780.db2.gz LPXCUBGCAUGBOJ-UHFFFAOYSA-N 1 2 247.346 2.005 50 0 BEAALO CCc1[nH+]ccn1CCc1nnc(CC(C)C)[nH]1 ZINC000065458026 136210781 /nfs/dbraw/zinc/21/07/81/136210781.db2.gz LPXCUBGCAUGBOJ-UHFFFAOYSA-N 1 2 247.346 2.005 50 0 BEAALO CC(C)(C)OC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000071973387 398171470 /nfs/dbraw/zinc/17/14/70/398171470.db2.gz GHITWFDHFOLATC-VIFPVBQESA-N 1 2 237.303 2.482 50 0 BEAALO Cc1cc(N)nc(Nc2cccc([C@@H](C)O)c2)[nH+]1 ZINC000075156673 178108953 /nfs/dbraw/zinc/10/89/53/178108953.db2.gz OYEZOJTUAZFUAP-SECBINFHSA-N 1 2 244.298 2.164 50 0 BEAALO Cc1cc2[nH]c(CCCO)[nH+]c2cc1C ZINC000012339240 178302741 /nfs/dbraw/zinc/30/27/41/178302741.db2.gz ORTMBDIEOVCLQT-UHFFFAOYSA-N 1 2 204.273 2.105 50 0 BEAALO Cc1ccc(-c2noc(Cn3cc[nH+]c3)n2)cc1 ZINC000010809670 178344180 /nfs/dbraw/zinc/34/41/80/178344180.db2.gz NRHIMBOHEMELGU-UHFFFAOYSA-N 1 2 240.266 2.290 50 0 BEAALO Cc1ccc(C(=O)Cn2cc[nH+]c2)c(C)c1 ZINC000037340546 178374159 /nfs/dbraw/zinc/37/41/59/178374159.db2.gz HPISNVDDMOHRNV-UHFFFAOYSA-N 1 2 214.268 2.383 50 0 BEAALO COC[C@H](Cc1ccccc1)[NH2+]CC(F)F ZINC000253393596 398279287 /nfs/dbraw/zinc/27/92/87/398279287.db2.gz SIPLTONUAMOQAF-NSHDSACASA-N 1 2 229.270 2.099 50 0 BEAALO COC[C@@H](Cc1ccccc1)[NH2+]CC(F)F ZINC000253393592 398279310 /nfs/dbraw/zinc/27/93/10/398279310.db2.gz SIPLTONUAMOQAF-LLVKDONJSA-N 1 2 229.270 2.099 50 0 BEAALO COC(=O)[C@H](CC(C)C)[NH2+]Cc1ccccc1 ZINC000002540498 342723543 /nfs/dbraw/zinc/72/35/43/342723543.db2.gz LITWZVHRFAQHQA-ZDUSSCGKSA-N 1 2 235.327 2.364 50 0 BEAALO CCOc1cccc(C[NH+]2CC(O)(CC)C2)c1 ZINC000170619355 361890611 /nfs/dbraw/zinc/89/06/11/361890611.db2.gz GMIGJDVFWMSHFB-UHFFFAOYSA-N 1 2 235.327 2.042 50 0 BEAALO CC[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC000013135750 342863938 /nfs/dbraw/zinc/86/39/38/342863938.db2.gz LVYIHIWNCGZDGT-LBPRGKRZSA-N 1 2 235.331 2.064 50 0 BEAALO Clc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000019639587 342952813 /nfs/dbraw/zinc/95/28/13/342952813.db2.gz IYFRXRADMBHKLH-UHFFFAOYSA-N 1 2 241.718 2.051 50 0 BEAALO Cc1c(C)c(Br)c[nH+]c1N ZINC000019943383 342963967 /nfs/dbraw/zinc/96/39/67/342963967.db2.gz YAVKJNIMFGZBSY-UHFFFAOYSA-N 1 2 201.067 2.043 50 0 BEAALO CC(C)(C)OC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000037729913 343352932 /nfs/dbraw/zinc/35/29/32/343352932.db2.gz HJLYKRGXTOVWFL-JTQLQIEISA-N 1 2 207.273 2.028 50 0 BEAALO CN(C)c1nc(N2CCCC2)[nH+]c2ccccc21 ZINC000041147074 343416214 /nfs/dbraw/zinc/41/62/14/343416214.db2.gz VONNLDQOEHSECV-UHFFFAOYSA-N 1 2 242.326 2.296 50 0 BEAALO Cc1ccc(NC(=O)CCn2cc[nH+]c2)cc1F ZINC000021916676 343778251 /nfs/dbraw/zinc/77/82/51/343778251.db2.gz QBLZQTJAYSGXRD-UHFFFAOYSA-N 1 2 247.273 2.359 50 0 BEAALO Cn1c[nH+]cc1COc1ccc(F)cc1 ZINC000090233673 343750290 /nfs/dbraw/zinc/75/02/90/343750290.db2.gz ZHKJTKYVTSLYTR-UHFFFAOYSA-N 1 2 206.220 2.138 50 0 BEAALO Cc1cccc(NC=C2C[C@@H](C)OC2=O)[nH+]1 ZINC000135768526 344888120 /nfs/dbraw/zinc/88/81/20/344888120.db2.gz MONSXXXKUNCVOP-SBMLRHLQSA-N 1 2 218.256 2.021 50 0 BEAALO C[C@@H]1C[N@@H+]([C@H]2C[C@@H](C)OC2=O)[C@H]1c1ccccc1 ZINC000252517957 345533505 /nfs/dbraw/zinc/53/35/05/345533505.db2.gz VZPKTQTXIBKXIT-MHDGFBEUSA-N 1 2 245.322 2.383 50 0 BEAALO C[C@@H]1C[N@H+]([C@H]2C[C@@H](C)OC2=O)[C@H]1c1ccccc1 ZINC000252517957 345533506 /nfs/dbraw/zinc/53/35/06/345533506.db2.gz VZPKTQTXIBKXIT-MHDGFBEUSA-N 1 2 245.322 2.383 50 0 BEAALO Cc1cccc(C(=O)OCc2c[nH+]cn2C)c1F ZINC000097015297 179025678 /nfs/dbraw/zinc/02/56/78/179025678.db2.gz UQIVPJWSOOLZPA-UHFFFAOYSA-N 1 2 248.257 2.225 50 0 BEAALO Cc1cccc(OCCn2cc[nH+]c2)c1 ZINC000000433229 179169470 /nfs/dbraw/zinc/16/94/70/179169470.db2.gz XOANZLYVPWNICU-UHFFFAOYSA-N 1 2 202.257 2.271 50 0 BEAALO Cc1cc(C)cc(NC(=O)Cn2cc[nH+]c2)c1 ZINC000010809286 347204100 /nfs/dbraw/zinc/20/41/00/347204100.db2.gz UEZYMJVIRYHNLL-UHFFFAOYSA-N 1 2 229.283 2.139 50 0 BEAALO Cc1nc(N2CCCC[C@@H]2c2cn[nH]c2)cc[nH+]1 ZINC000195571344 347647773 /nfs/dbraw/zinc/64/77/73/347647773.db2.gz OYONPRZLJFRHHT-GFCCVEGCSA-N 1 2 243.314 2.240 50 0 BEAALO Cc1ccccc1OC/C=C/C[NH+]1CCOCC1 ZINC000016622076 179310082 /nfs/dbraw/zinc/31/00/82/179310082.db2.gz DZKNKJZYAKOOMP-SNAWJCMRSA-N 1 2 247.338 2.262 50 0 BEAALO Cc1ccccc1[C@@]1(O)CC[N@H+](CC(F)F)C1 ZINC000067774183 179332679 /nfs/dbraw/zinc/33/26/79/179332679.db2.gz FTQCPVSVYBKHJB-CYBMUJFWSA-N 1 2 241.281 2.153 50 0 BEAALO Cc1ccccc1[C@@]1(O)CC[N@@H+](CC(F)F)C1 ZINC000067774183 179332681 /nfs/dbraw/zinc/33/26/81/179332681.db2.gz FTQCPVSVYBKHJB-CYBMUJFWSA-N 1 2 241.281 2.153 50 0 BEAALO Cc1cccn2c(CNc3ncccn3)c[nH+]c12 ZINC000187916782 179354507 /nfs/dbraw/zinc/35/45/07/179354507.db2.gz WZHKJEVHYFIFQI-UHFFFAOYSA-N 1 2 239.282 2.045 50 0 BEAALO Cc1nc(NCc2cccnc2)c2c([nH+]1)CCC2 ZINC000065288116 180070939 /nfs/dbraw/zinc/07/09/39/180070939.db2.gz GLTGTTLESLQKSY-UHFFFAOYSA-N 1 2 240.310 2.281 50 0 BEAALO Cc1[nH+]c2cc(F)c(F)cc2n1CC(N)=O ZINC000334683923 180079850 /nfs/dbraw/zinc/07/98/50/180079850.db2.gz FVMZHDZYXRWRCX-UHFFFAOYSA-N 1 2 225.198 2.158 50 0 BEAALO Cc1[nH+]cc2c(c1C(N)=S)[C@H](C)CCC2 ZINC000072447011 180178015 /nfs/dbraw/zinc/17/80/15/180178015.db2.gz KOJGFWFVINEQKK-SSDOTTSWSA-N 1 2 220.341 2.464 50 0 BEAALO Cc1nccc(C[N@@H+]2CCC[C@](C)(F)C2)n1 ZINC000335354224 180184186 /nfs/dbraw/zinc/18/41/86/180184186.db2.gz FLHCHGULOVRTBY-LBPRGKRZSA-N 1 2 223.295 2.109 50 0 BEAALO Cc1nccc(C[N@H+]2CCC[C@](C)(F)C2)n1 ZINC000335354224 180184191 /nfs/dbraw/zinc/18/41/91/180184191.db2.gz FLHCHGULOVRTBY-LBPRGKRZSA-N 1 2 223.295 2.109 50 0 BEAALO Cc1[nH+]cnc(N(C)CC[C@@H]2CCCCO2)c1C ZINC000091595757 180291707 /nfs/dbraw/zinc/29/17/07/180291707.db2.gz XOJWDNFSQDFGFQ-ZDUSSCGKSA-N 1 2 249.358 2.489 50 0 BEAALO CCCn1cc[nH+]c1CNc1cc(CC)ncn1 ZINC000095356438 350657996 /nfs/dbraw/zinc/65/79/96/350657996.db2.gz OVJLOAIGZYKNAQ-UHFFFAOYSA-N 1 2 245.330 2.258 50 0 BEAALO CC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000082735665 188122135 /nfs/dbraw/zinc/12/21/35/188122135.db2.gz DNXJCZRHMKTOLA-UHFFFAOYSA-N 1 2 215.256 2.046 50 0 BEAALO CC(C)(C)OC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000085474973 188143007 /nfs/dbraw/zinc/14/30/07/188143007.db2.gz GHITWFDHFOLATC-SECBINFHSA-N 1 2 237.303 2.482 50 0 BEAALO c1cc(C[NH2+][C@H]2CCO[C@@H]2c2ccccc2)[nH]n1 ZINC000096447526 188188231 /nfs/dbraw/zinc/18/82/31/188188231.db2.gz AAIIWHXSXTVDNQ-UONOGXRCSA-N 1 2 243.310 2.030 50 0 BEAALO Fc1ccccc1OCCn1cc[nH+]c1 ZINC000000227187 181014860 /nfs/dbraw/zinc/01/48/60/181014860.db2.gz OLEJPXTUBNNNEK-UHFFFAOYSA-N 1 2 206.220 2.101 50 0 BEAALO CS[C@@H]1CC[C@@H]([N@H+](C)CC(F)F)C1 ZINC000308294823 355313173 /nfs/dbraw/zinc/31/31/73/355313173.db2.gz HLOKHFJNNISLEQ-HTQZYQBOSA-N 1 2 209.305 2.467 50 0 BEAALO CS[C@@H]1CC[C@@H]([N@@H+](C)CC(F)F)C1 ZINC000308294823 355313175 /nfs/dbraw/zinc/31/31/75/355313175.db2.gz HLOKHFJNNISLEQ-HTQZYQBOSA-N 1 2 209.305 2.467 50 0 BEAALO Cc1nnc(C[NH+]2CCC(C(F)(F)F)CC2)o1 ZINC000075969374 325324286 /nfs/dbraw/zinc/32/42/86/325324286.db2.gz BCZWQDYSNFCSGM-UHFFFAOYSA-N 1 2 249.236 2.152 50 0 BEAALO C[C@H]1C[NH+](Cc2ccon2)C[C@H](C)S1 ZINC000089937104 360049094 /nfs/dbraw/zinc/04/90/94/360049094.db2.gz NLYZUGFAXNYEPE-IUCAKERBSA-N 1 2 212.318 2.000 50 0 BEAALO COCCN(C)c1ccc(-c2ccncc2)c[nH+]1 ZINC000629689847 361624126 /nfs/dbraw/zinc/62/41/26/361624126.db2.gz BGAGIGWKKSMCNO-UHFFFAOYSA-N 1 2 243.310 2.226 50 0 BEAALO [NH3+]CCCCc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000019830782 181378800 /nfs/dbraw/zinc/37/88/00/181378800.db2.gz PDGMFQCOHDOSBW-UHFFFAOYSA-N 1 2 231.299 2.064 50 0 BEAALO C[C@H](c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000032814511 541502657 /nfs/dbraw/zinc/50/26/57/541502657.db2.gz HOOWODVZLIFDTM-SNVBAGLBSA-N 1 2 209.264 2.219 50 0 BEAALO C[NH2+]N(C)c1cccc(Br)c1 ZINC000096026654 371380970 /nfs/dbraw/zinc/38/09/70/371380970.db2.gz PCTZRPIBSKLUIV-UHFFFAOYSA-N 1 2 215.094 2.020 50 0 BEAALO CC(C)CCC(=O)NCc1ccc[nH+]c1N(C)C ZINC000040525144 373449317 /nfs/dbraw/zinc/44/93/17/373449317.db2.gz ZTFRHRLDFTXKDV-UHFFFAOYSA-N 1 2 249.358 2.200 50 0 BEAALO O[C@H]1CCC[C@@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000195575439 183236627 /nfs/dbraw/zinc/23/66/27/183236627.db2.gz MSPGIRCKQCTJCV-IUCAKERBSA-N 1 2 246.232 2.426 50 0 BEAALO Oc1ccc(-c2[nH+]cnc3[nH]ccc32)cc1 ZINC000065382910 183265477 /nfs/dbraw/zinc/26/54/77/183265477.db2.gz WZFCEONUAGKQPH-UHFFFAOYSA-N 1 2 211.224 2.331 50 0 BEAALO c1[nH+]c2n(c1-c1ccc3c(c1)OCCO3)CCC2 ZINC000004005199 183366371 /nfs/dbraw/zinc/36/63/71/183366371.db2.gz KTMZVNFEULYZQH-UHFFFAOYSA-N 1 2 242.278 2.268 50 0 BEAALO c1ccc(-c2n[nH]c([C@@H]3CCCC[NH2+]3)n2)cc1 ZINC000042013531 183382342 /nfs/dbraw/zinc/38/23/42/183382342.db2.gz BFOCYJPPTRHLRS-NSHDSACASA-N 1 2 228.299 2.286 50 0 BEAALO COC(=O)C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000096742747 383914910 /nfs/dbraw/zinc/91/49/10/383914910.db2.gz CMVFFHQNGPTDLD-MRVPVSSYSA-N 1 2 243.253 2.131 50 0 BEAALO COC(=O)C[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000096742747 383914914 /nfs/dbraw/zinc/91/49/14/383914914.db2.gz CMVFFHQNGPTDLD-MRVPVSSYSA-N 1 2 243.253 2.131 50 0 BEAALO COC(=[NH2+])c1cccc(Br)c1 ZINC000037927979 384043745 /nfs/dbraw/zinc/04/37/45/384043745.db2.gz LRFHACQUFBUNBT-UHFFFAOYSA-N 1 2 214.062 2.421 50 0 BEAALO O=Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC000042684259 384236401 /nfs/dbraw/zinc/23/64/01/384236401.db2.gz BUUCGRMFXGLDNV-UHFFFAOYSA-N 1 2 206.632 2.338 50 0 BEAALO COC(=O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000133624484 384303838 /nfs/dbraw/zinc/30/38/38/384303838.db2.gz PTPWFFZQLBEBNY-CHWSQXEVSA-N 1 2 233.311 2.085 50 0 BEAALO Cn1cc([C@H]2CCC[N@@H+]2Cc2cscn2)cn1 ZINC000095349684 384370711 /nfs/dbraw/zinc/37/07/11/384370711.db2.gz BHMVRDZJBUXXHB-GFCCVEGCSA-N 1 2 248.355 2.214 50 0 BEAALO Cn1cc([C@H]2CCC[N@H+]2Cc2cscn2)cn1 ZINC000095349684 384370717 /nfs/dbraw/zinc/37/07/17/384370717.db2.gz BHMVRDZJBUXXHB-GFCCVEGCSA-N 1 2 248.355 2.214 50 0 BEAALO C[C@@H]([NH2+]Cc1ccco1)c1nnc2n1CCCC2 ZINC000084668008 384406713 /nfs/dbraw/zinc/40/67/13/384406713.db2.gz CEFNTGQTYXIUMR-SNVBAGLBSA-N 1 2 246.314 2.058 50 0 BEAALO CCO[C@H]1C[N@H+](C)C[C@@H](c2ccccc2)O1 ZINC000102197080 384519472 /nfs/dbraw/zinc/51/94/72/384519472.db2.gz JGUIJGYNKPSEDJ-QWHCGFSZSA-N 1 2 221.300 2.052 50 0 BEAALO CCO[C@H]1C[N@@H+](C)C[C@@H](c2ccccc2)O1 ZINC000102197080 384519476 /nfs/dbraw/zinc/51/94/76/384519476.db2.gz JGUIJGYNKPSEDJ-QWHCGFSZSA-N 1 2 221.300 2.052 50 0 BEAALO CC(C)c1nc(C[N@@H+](C)CCn2cc[nH+]c2)co1 ZINC000097480160 384525303 /nfs/dbraw/zinc/52/53/03/384525303.db2.gz QDLQBOSOZYUOIK-UHFFFAOYSA-N 1 2 248.330 2.127 50 0 BEAALO CC(C)c1nc(CN(C)CCn2cc[nH+]c2)co1 ZINC000097480160 384525310 /nfs/dbraw/zinc/52/53/10/384525310.db2.gz QDLQBOSOZYUOIK-UHFFFAOYSA-N 1 2 248.330 2.127 50 0 BEAALO Cc1cc(C)c(C)c(OCC[NH+]2CCOCC2)c1 ZINC000019638811 384532765 /nfs/dbraw/zinc/53/27/65/384532765.db2.gz HGGSUTCZSZMTLJ-UHFFFAOYSA-N 1 2 249.354 2.323 50 0 BEAALO COCCSCCc1[nH]c2ccccc2[nH+]1 ZINC000585135268 384629373 /nfs/dbraw/zinc/62/93/73/384629373.db2.gz NYSLOWZQDFVLSH-UHFFFAOYSA-N 1 2 236.340 2.485 50 0 BEAALO COC(=O)c1cc(F)cc(-c2ccc(N)[nH+]c2)c1 ZINC000082046483 384645482 /nfs/dbraw/zinc/64/54/82/384645482.db2.gz IWSQDIMVXVHITJ-UHFFFAOYSA-N 1 2 246.241 2.257 50 0 BEAALO CCCc1[nH]cc(-c2ccc(OC)nc2OC)[nH+]1 ZINC000426489883 384832870 /nfs/dbraw/zinc/83/28/70/384832870.db2.gz IBTVUTAZYDDTCG-UHFFFAOYSA-N 1 2 247.298 2.441 50 0 BEAALO Cc1ccc(NC(=O)[C@@H]2CC2(F)F)c(C)[nH+]1 ZINC000295081210 384785249 /nfs/dbraw/zinc/78/52/49/384785249.db2.gz WUNIHWVWJINUMS-QMMMGPOBSA-N 1 2 226.226 2.292 50 0 BEAALO O=C(CCCn1cc[nH+]c1)Nc1ccccc1F ZINC000058046440 384979358 /nfs/dbraw/zinc/97/93/58/384979358.db2.gz PWCUZVNVJSFSNJ-UHFFFAOYSA-N 1 2 247.273 2.441 50 0 BEAALO c1cn(Cc2ccc(-c3cn[nH]c3)cc2)c[nH+]1 ZINC000032533056 385170160 /nfs/dbraw/zinc/17/01/60/385170160.db2.gz ITCQESGIOUXJBZ-UHFFFAOYSA-N 1 2 224.267 2.322 50 0 BEAALO Cc1ccc([C@H](C)[NH2+]Cc2nnnn2C(C)C)o1 ZINC000096502744 385240219 /nfs/dbraw/zinc/24/02/19/385240219.db2.gz DYGSMQNASQYATI-JTQLQIEISA-N 1 2 249.318 2.006 50 0 BEAALO CNc1ccc(Nc2ncc(SC)cn2)c[nH+]1 ZINC000225822846 385252991 /nfs/dbraw/zinc/25/29/91/385252991.db2.gz CVPRDLHFMVBNKC-UHFFFAOYSA-N 1 2 247.327 2.379 50 0 BEAALO Cc1cc[nH+]cc1-n1ccc(-c2cnccn2)n1 ZINC000065394095 385303566 /nfs/dbraw/zinc/30/35/66/385303566.db2.gz OICFOCSQSWYZAW-UHFFFAOYSA-N 1 2 237.266 2.033 50 0 BEAALO Cc1[nH]cc(CN(C)[C@@H](C)c2ccccn2)[nH+]1 ZINC000065387876 385304611 /nfs/dbraw/zinc/30/46/11/385304611.db2.gz LORGPROSMJJJJX-JTQLQIEISA-N 1 2 230.315 2.306 50 0 BEAALO Cc1[nH]c(CN(C)[C@@H](C)c2ccccn2)c[nH+]1 ZINC000065387876 385304617 /nfs/dbraw/zinc/30/46/17/385304617.db2.gz LORGPROSMJJJJX-JTQLQIEISA-N 1 2 230.315 2.306 50 0 BEAALO Cc1cc(-c2ccc3c(c2)OCO3)c[nH+]c1N ZINC000065406441 385306186 /nfs/dbraw/zinc/30/61/86/385306186.db2.gz DNUXHMRMUWKIDM-UHFFFAOYSA-N 1 2 228.251 2.368 50 0 BEAALO Cc1cc(=O)c2cc(-n3cc[nH+]c3)ccc2[nH]1 ZINC000065461863 385315170 /nfs/dbraw/zinc/31/51/70/385315170.db2.gz SPWDNQPAQKLXGO-UHFFFAOYSA-N 1 2 225.251 2.022 50 0 BEAALO c1ccc(SCC[NH+]2CCOCC2)cc1 ZINC000019811418 385315412 /nfs/dbraw/zinc/31/54/12/385315412.db2.gz QDTNFZGZGSMNCU-UHFFFAOYSA-N 1 2 223.341 2.111 50 0 BEAALO Cc1n[nH]c(C)c1C[N@@H+]1CCC=C(F)C1 ZINC000274493532 385405134 /nfs/dbraw/zinc/40/51/34/385405134.db2.gz POFVGARDALTPFT-UHFFFAOYSA-N 1 2 209.268 2.086 50 0 BEAALO Cc1n[nH]c(C)c1C[N@H+]1CCC=C(F)C1 ZINC000274493532 385405138 /nfs/dbraw/zinc/40/51/38/385405138.db2.gz POFVGARDALTPFT-UHFFFAOYSA-N 1 2 209.268 2.086 50 0 BEAALO FC[C@H]1CCC[N@@H+]1Cc1cscn1 ZINC000293082377 385734080 /nfs/dbraw/zinc/73/40/80/385734080.db2.gz OYHZNLDQJHZPQO-SECBINFHSA-N 1 2 200.282 2.077 50 0 BEAALO FC[C@H]1CCC[N@H+]1Cc1cscn1 ZINC000293082377 385734083 /nfs/dbraw/zinc/73/40/83/385734083.db2.gz OYHZNLDQJHZPQO-SECBINFHSA-N 1 2 200.282 2.077 50 0 BEAALO CC(C)Oc1ccccc1C[NH+]1CC(C)(O)C1 ZINC000585116817 386672304 /nfs/dbraw/zinc/67/23/04/386672304.db2.gz JNFIPNOGCGLMHE-UHFFFAOYSA-N 1 2 235.327 2.040 50 0 BEAALO CN(c1nc[nH+]c(N)c1Cl)C1CC(C)(C)C1 ZINC000395433288 386835247 /nfs/dbraw/zinc/83/52/47/386835247.db2.gz NHOLLYLZEDAMCJ-UHFFFAOYSA-N 1 2 240.738 2.337 50 0 BEAALO CN(c1[nH+]cnc(N)c1Cl)C1CC(C)(C)C1 ZINC000395433288 386835252 /nfs/dbraw/zinc/83/52/52/386835252.db2.gz NHOLLYLZEDAMCJ-UHFFFAOYSA-N 1 2 240.738 2.337 50 0 BEAALO O=C1OCC[C@H]1[N@H+]1CC=C(c2ccccc2)CC1 ZINC000012915328 386896941 /nfs/dbraw/zinc/89/69/41/386896941.db2.gz KCZPRPKQXPDCFQ-CQSZACIVSA-N 1 2 243.306 2.091 50 0 BEAALO O=C1OCC[C@H]1[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000012915328 386896945 /nfs/dbraw/zinc/89/69/45/386896945.db2.gz KCZPRPKQXPDCFQ-CQSZACIVSA-N 1 2 243.306 2.091 50 0 BEAALO [NH3+]C1(C(F)(F)F)CCC(F)(F)CC1 ZINC000575519990 387438288 /nfs/dbraw/zinc/43/82/88/387438288.db2.gz BJHLDDYWXDBBGV-UHFFFAOYSA-N 1 2 203.154 2.456 50 0 BEAALO CCSCC[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000121783630 387407164 /nfs/dbraw/zinc/40/71/64/387407164.db2.gz MCWROVXHEVBKAF-JTQLQIEISA-N 1 2 240.376 2.085 50 0 BEAALO CCSCC[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000121783630 387407168 /nfs/dbraw/zinc/40/71/68/387407168.db2.gz MCWROVXHEVBKAF-JTQLQIEISA-N 1 2 240.376 2.085 50 0 BEAALO CC(C)[N@H+](CC(N)=O)Cc1ccccc1Cl ZINC000008532602 388406068 /nfs/dbraw/zinc/40/60/68/388406068.db2.gz FNOFUXKPQIRZJD-UHFFFAOYSA-N 1 2 240.734 2.036 50 0 BEAALO CC(C)[N@@H+](CC(N)=O)Cc1ccccc1Cl ZINC000008532602 388406070 /nfs/dbraw/zinc/40/60/70/388406070.db2.gz FNOFUXKPQIRZJD-UHFFFAOYSA-N 1 2 240.734 2.036 50 0 BEAALO O=C1OCC[C@@H]1[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000069492650 388417948 /nfs/dbraw/zinc/41/79/48/388417948.db2.gz IZMJJSKCWHQUQA-UONOGXRCSA-N 1 2 245.322 2.433 50 0 BEAALO Cc1n[nH]cc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000037878787 388732405 /nfs/dbraw/zinc/73/24/05/388732405.db2.gz YPRXJYOHGHDTGF-CQSZACIVSA-N 1 2 227.311 2.495 50 0 BEAALO Cc1[nH]ncc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000037878787 388732407 /nfs/dbraw/zinc/73/24/07/388732407.db2.gz YPRXJYOHGHDTGF-CQSZACIVSA-N 1 2 227.311 2.495 50 0 BEAALO Cc1cc(C)n(C[C@H](C)Nc2cccc[nH+]2)n1 ZINC000095403124 388765851 /nfs/dbraw/zinc/76/58/51/388765851.db2.gz JJCLMWSBXGBRNR-NSHDSACASA-N 1 2 230.315 2.396 50 0 BEAALO Cc1c[nH+]c(C)nc1N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000328600139 132243790 /nfs/dbraw/zinc/24/37/90/132243790.db2.gz VVIHWKMBXORONB-MFKMUULPSA-N 1 2 247.342 2.097 50 0 BEAALO COc1cc(N)ccc1[NH+]1CCCCC1 ZINC000057363448 132365719 /nfs/dbraw/zinc/36/57/19/132365719.db2.gz MAGNNZDTPVFTPY-UHFFFAOYSA-N 1 2 206.289 2.268 50 0 BEAALO C[C@@]1(CO)CCC[C@H]1Nc1cccc[nH+]1 ZINC000098013798 397804680 /nfs/dbraw/zinc/80/46/80/397804680.db2.gz DOBSILVWMKGTTF-PWSUYJOCSA-N 1 2 206.289 2.045 50 0 BEAALO Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000170613041 397824754 /nfs/dbraw/zinc/82/47/54/397824754.db2.gz ILQMEAKYSAWHHV-UHFFFAOYSA-N 1 2 213.284 2.469 50 0 BEAALO C[C@@]1(F)CCC[N@H+](Cc2nccs2)C1 ZINC000295950392 398022134 /nfs/dbraw/zinc/02/21/34/398022134.db2.gz HAIBKSUOIVSWEI-SNVBAGLBSA-N 1 2 214.309 2.467 50 0 BEAALO C[C@@]1(F)CCC[N@@H+](Cc2nccs2)C1 ZINC000295950392 398022136 /nfs/dbraw/zinc/02/21/36/398022136.db2.gz HAIBKSUOIVSWEI-SNVBAGLBSA-N 1 2 214.309 2.467 50 0 BEAALO Brc1ccc([C@H]2[NH2+]CCS2)o1 ZINC000050522690 166100223 /nfs/dbraw/zinc/10/02/23/166100223.db2.gz YFFNWJYJTWVXIZ-ZETCQYMHSA-N 1 2 234.118 2.377 50 0 BEAALO CC/C=C(/C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000044941458 411142665 /nfs/dbraw/zinc/14/26/65/411142665.db2.gz TXGCWCZTJYZOCI-XFFZJAGNSA-N 1 2 247.342 2.120 50 0 BEAALO CCC(C)(C)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000040489170 168291370 /nfs/dbraw/zinc/29/13/70/168291370.db2.gz JISJCIGUFYPPSK-UHFFFAOYSA-N 1 2 245.326 2.182 50 0 BEAALO CCOC(=O)C[N@H+](C)Cc1sccc1C ZINC000048374147 170216178 /nfs/dbraw/zinc/21/61/78/170216178.db2.gz LRIZIIQRMMKVNR-UHFFFAOYSA-N 1 2 227.329 2.051 50 0 BEAALO CCOC(=O)C[N@@H+](C)Cc1sccc1C ZINC000048374147 170216179 /nfs/dbraw/zinc/21/61/79/170216179.db2.gz LRIZIIQRMMKVNR-UHFFFAOYSA-N 1 2 227.329 2.051 50 0 BEAALO CCc1[nH+]cc([C@@H](O)c2ccc(OC)cc2)n1C ZINC000000302109 172023099 /nfs/dbraw/zinc/02/30/99/172023099.db2.gz UOXVSZGTOYHQKZ-AWEZNQCLSA-N 1 2 246.310 2.073 50 0 BEAALO CCc1[nH+]cc([C@H](O)c2ccc(C)cc2)n1C ZINC000000170130 172023220 /nfs/dbraw/zinc/02/32/20/172023220.db2.gz RLZMGGXEJXZNNS-CQSZACIVSA-N 1 2 230.311 2.373 50 0 BEAALO CCn1cc[nH+]c1CNc1ccnc(SC)n1 ZINC000032511808 172225880 /nfs/dbraw/zinc/22/58/80/172225880.db2.gz CMJSEGZTGZMBNF-UHFFFAOYSA-N 1 2 249.343 2.027 50 0 BEAALO COCCCSc1[nH+]cc2ccccn21 ZINC000071918006 174259584 /nfs/dbraw/zinc/25/95/84/174259584.db2.gz PKVDLWGPZCRSAZ-UHFFFAOYSA-N 1 2 222.313 2.463 50 0 BEAALO COc1ccc(NC2=[NH+]CCS2)cc1 ZINC000001455316 175149347 /nfs/dbraw/zinc/14/93/47/175149347.db2.gz WEOIFJBMNPJTJC-UHFFFAOYSA-N 1 2 208.286 2.210 50 0 BEAALO C[C@@H](C1N=NC(=S)N1c1ccccc1)[NH+](C)C ZINC000019229946 176039629 /nfs/dbraw/zinc/03/96/29/176039629.db2.gz OJONJYAZSYAMQP-VIFPVBQESA-N 1 2 248.355 2.179 50 0 BEAALO C[C@@H]1CCC[C@@H](C(=O)OCc2ccccc2)[NH2+]1 ZINC000059852233 176113372 /nfs/dbraw/zinc/11/33/72/176113372.db2.gz VCDXZKWEOAGDCL-YPMHNXCESA-N 1 2 233.311 2.260 50 0 BEAALO C[C@@H]1CCC[C@H](C(=O)OCc2ccccc2)[NH2+]1 ZINC000059852231 176136622 /nfs/dbraw/zinc/13/66/22/176136622.db2.gz VCDXZKWEOAGDCL-DGCLKSJQSA-N 1 2 233.311 2.260 50 0 BEAALO C[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)c1cccnc1 ZINC000095962713 177019806 /nfs/dbraw/zinc/01/98/06/177019806.db2.gz HUKXNULISVPKPZ-AAEUAGOBSA-N 1 2 248.326 2.170 50 0 BEAALO C[C@H](OC(=O)[C@@H]1CCCC[N@H+]1C)c1cccnc1 ZINC000095962713 177019807 /nfs/dbraw/zinc/01/98/07/177019807.db2.gz HUKXNULISVPKPZ-AAEUAGOBSA-N 1 2 248.326 2.170 50 0 BEAALO C[C@@H]1CCC[C@H](C)[N@H+]1Cn1ncn(C)c1=S ZINC000003276955 177117362 /nfs/dbraw/zinc/11/73/62/177117362.db2.gz TXDUKDIGBMQASO-AOOOYVTPSA-N 1 2 240.376 2.171 50 0 BEAALO C[C@@H]1CCC[C@H](C)[N@@H+]1Cn1ncn(C)c1=S ZINC000003276955 177117363 /nfs/dbraw/zinc/11/73/63/177117363.db2.gz TXDUKDIGBMQASO-AOOOYVTPSA-N 1 2 240.376 2.171 50 0 BEAALO C[C@H]1C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC000040479463 177263308 /nfs/dbraw/zinc/26/33/08/177263308.db2.gz ZQMFYXFYNGZBDL-JTQLQIEISA-N 1 2 209.264 2.046 50 0 BEAALO C[C@H]1C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC000040479463 177263310 /nfs/dbraw/zinc/26/33/10/177263310.db2.gz ZQMFYXFYNGZBDL-JTQLQIEISA-N 1 2 209.264 2.046 50 0 BEAALO C[C@H]1C[NH+](Cc2ccccc2F)C[C@H](C)O1 ZINC000019606651 177266770 /nfs/dbraw/zinc/26/67/70/177266770.db2.gz JLWKCIQQXMVLCP-QWRGUYRKSA-N 1 2 223.291 2.435 50 0 BEAALO C[C@H]1C[NH+]=C(Nc2ccc(O)cc2)S1 ZINC000005739328 177282093 /nfs/dbraw/zinc/28/20/93/177282093.db2.gz QDXRVULQUCTVRI-ZETCQYMHSA-N 1 2 208.286 2.295 50 0 BEAALO C[C@H]1C[C@H](C(=O)NCc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC000097235820 177354131 /nfs/dbraw/zinc/35/41/31/177354131.db2.gz RXOBDRVVAUZKKE-QWRGUYRKSA-N 1 2 249.358 2.488 50 0 BEAALO CC(C)=CC[N@H+]1CCOC[C@@H]1c1cccn1C ZINC000131641796 325173016 /nfs/dbraw/zinc/17/30/16/325173016.db2.gz QFSICWOUCRZDFM-CQSZACIVSA-N 1 2 234.343 2.365 50 0 BEAALO CC(C)=CC[N@@H+]1CCOC[C@@H]1c1cccn1C ZINC000131641796 325173019 /nfs/dbraw/zinc/17/30/19/325173019.db2.gz QFSICWOUCRZDFM-CQSZACIVSA-N 1 2 234.343 2.365 50 0 BEAALO CCn1ncnc1[C@H](c1cccc(C)c1)[NH+](C)C ZINC000670445278 487493234 /nfs/dbraw/zinc/49/32/34/487493234.db2.gz GUGUTZQNMKGTMN-ZDUSSCGKSA-N 1 2 244.342 2.257 50 0 BEAALO c1ccc(OC2C[NH+](C[C@@H]3CCCCO3)C2)cc1 ZINC000670461932 487516442 /nfs/dbraw/zinc/51/64/42/487516442.db2.gz TTYXCOPQXBZRLI-AWEZNQCLSA-N 1 2 247.338 2.319 50 0 BEAALO Cc1nnc(C[N@@H+](C)Cc2cc(F)ccc2C)o1 ZINC000683673443 488206503 /nfs/dbraw/zinc/20/65/03/488206503.db2.gz XKJYJGGNBZLJGG-UHFFFAOYSA-N 1 2 249.289 2.458 50 0 BEAALO Cc1nnc(C[N@H+](C)Cc2cc(F)ccc2C)o1 ZINC000683673443 488206506 /nfs/dbraw/zinc/20/65/06/488206506.db2.gz XKJYJGGNBZLJGG-UHFFFAOYSA-N 1 2 249.289 2.458 50 0 BEAALO CCC[C@H](Nc1cccc[nH+]1)n1cncn1 ZINC000019299966 643039235 /nfs/dbraw/zinc/03/92/35/643039235.db2.gz GIQOSNWBMQZEDH-LLVKDONJSA-N 1 2 217.276 2.084 50 0 BEAALO Cn1nccc1C[N@@H+]1CC[C@@H]1c1cccs1 ZINC001506405760 988775626 /nfs/dbraw/zinc/77/56/26/988775626.db2.gz DQLJWVXSLGIJPQ-LLVKDONJSA-N 1 2 233.340 2.429 50 0 BEAALO Cn1nccc1C[N@H+]1CC[C@@H]1c1cccs1 ZINC001506405760 988775633 /nfs/dbraw/zinc/77/56/33/988775633.db2.gz DQLJWVXSLGIJPQ-LLVKDONJSA-N 1 2 233.340 2.429 50 0 BEAALO Cc1cc(F)cc(NCc2[nH+]ccn2C)c1 ZINC000085729514 178079432 /nfs/dbraw/zinc/07/94/32/178079432.db2.gz IBKMYBCAIMXYKF-UHFFFAOYSA-N 1 2 219.263 2.480 50 0 BEAALO Cc1cc(C)n(-c2cc(NC(C)C)[nH+]cn2)n1 ZINC000064543261 398205006 /nfs/dbraw/zinc/20/50/06/398205006.db2.gz OHMRYKKTRUJUMR-UHFFFAOYSA-N 1 2 231.303 2.099 50 0 BEAALO CC/C=C(\C)C(=O)NCc1cc[nH+]c(N(C)C)c1 ZINC000097086654 398222211 /nfs/dbraw/zinc/22/22/11/398222211.db2.gz AUYAPFSVQYSWFZ-IZZDOVSWSA-N 1 2 247.342 2.120 50 0 BEAALO CC(C)c1nsc(NC2C[NH+](C(C)C)C2)n1 ZINC000170603340 361793736 /nfs/dbraw/zinc/79/37/36/361793736.db2.gz LJQKDHIYNLRLLF-UHFFFAOYSA-N 1 2 240.376 2.166 50 0 BEAALO CCSC1=[NH+]CN(Cc2cccs2)CN1 ZINC000000166195 342678619 /nfs/dbraw/zinc/67/86/19/342678619.db2.gz GMMFAMPGNOZUML-UHFFFAOYSA-N 1 2 241.385 2.177 50 0 BEAALO CCCc1[nH]c2ccc(NC(C)=O)cc2[nH+]1 ZINC000000613268 342690982 /nfs/dbraw/zinc/69/09/82/342690982.db2.gz CGWOPZGBEYNWFS-UHFFFAOYSA-N 1 2 217.272 2.474 50 0 BEAALO Nc1[nH]c2cc(C(=O)c3ccccc3)ccc2[nH+]1 ZINC000004068309 342741686 /nfs/dbraw/zinc/74/16/86/342741686.db2.gz GPMHHSJZGVOEFS-UHFFFAOYSA-N 1 2 237.262 2.376 50 0 world BEAALO CCOc1ccc(C=O)cc1Cn1cc[nH+]c1 ZINC000004992625 342755929 /nfs/dbraw/zinc/75/59/29/342755929.db2.gz UDWZPBWWVYGNHS-UHFFFAOYSA-N 1 2 230.267 2.143 50 0 BEAALO COC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000054992646 398285460 /nfs/dbraw/zinc/28/54/60/398285460.db2.gz ZZERTFOAAKLPRA-CYBMUJFWSA-N 1 2 249.310 2.005 50 0 BEAALO COC(=O)C[N@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000054992646 398285461 /nfs/dbraw/zinc/28/54/61/398285461.db2.gz ZZERTFOAAKLPRA-CYBMUJFWSA-N 1 2 249.310 2.005 50 0 BEAALO CCc1[nH]cc(C=C2C(=O)Nc3ccccc32)[nH+]1 ZINC000013657188 342869443 /nfs/dbraw/zinc/86/94/43/342869443.db2.gz HGTBDLWIYIDEEH-XFFZJAGNSA-N 1 2 239.278 2.465 50 0 BEAALO CCCn1c2ccc(N)cc2[nH+]c1[C@H](C)O ZINC000014000466 342875690 /nfs/dbraw/zinc/87/56/90/342875690.db2.gz ZVGPUXKEXKLMPC-QMMMGPOBSA-N 1 2 219.288 2.082 50 0 BEAALO Cc1cnn(C2C[NH+](Cc3cnc(C)s3)C2)c1 ZINC000071876827 398331624 /nfs/dbraw/zinc/33/16/24/398331624.db2.gz UENNMIJCHPZRCB-UHFFFAOYSA-N 1 2 248.355 2.013 50 0 BEAALO Cc1ccc(CS[C@H]2N[C@H](C)C[NH2+]2)cc1C ZINC000019324355 342945467 /nfs/dbraw/zinc/94/54/67/342945467.db2.gz KNDMIDHJXJKVOC-DGCLKSJQSA-N 1 2 236.384 2.402 50 0 BEAALO Cc1ccc(CS[C@@H]2NC[C@@H](C)[NH2+]2)cc1C ZINC000019324355 342945469 /nfs/dbraw/zinc/94/54/69/342945469.db2.gz KNDMIDHJXJKVOC-DGCLKSJQSA-N 1 2 236.384 2.402 50 0 BEAALO Nc1ccc(N2CCc3ccccc32)[nH+]c1 ZINC000020353386 342982687 /nfs/dbraw/zinc/98/26/87/342982687.db2.gz GWKGOYRTHAESJK-UHFFFAOYSA-N 1 2 211.268 2.358 50 0 BEAALO Nc1c[nH+]ccc1OCc1ccccc1 ZINC000020370512 342984002 /nfs/dbraw/zinc/98/40/02/342984002.db2.gz WSMGCHYPHRQNEG-UHFFFAOYSA-N 1 2 200.241 2.243 50 0 BEAALO c1csc(-c2noc(Cn3cc[nH+]c3)n2)c1 ZINC000029594282 343144677 /nfs/dbraw/zinc/14/46/77/343144677.db2.gz RJBWDFQSAQZYDL-UHFFFAOYSA-N 1 2 232.268 2.043 50 0 BEAALO COc1ccc(Cn2cc[nH+]c2)cc1F ZINC000040023612 343320564 /nfs/dbraw/zinc/32/05/64/343320564.db2.gz YMAGYSDUSJAFHT-UHFFFAOYSA-N 1 2 206.220 2.079 50 0 BEAALO Cc1cc2[nH+]ccn2c(Br)c1 ZINC000038313076 343373861 /nfs/dbraw/zinc/37/38/61/343373861.db2.gz SZHBHTDASBBWFA-UHFFFAOYSA-N 1 2 211.062 2.405 50 0 BEAALO Nc1c2ccc[nH+]c2ccc1N1CCCC1 ZINC000037377284 343343851 /nfs/dbraw/zinc/34/38/51/343343851.db2.gz SIZOWSNMBFVMSZ-UHFFFAOYSA-N 1 2 213.284 2.417 50 0 BEAALO CCCCNC(=O)[C@H](C)[N@@H+]1CCC=C(Cl)C1 ZINC000585141453 344173150 /nfs/dbraw/zinc/17/31/50/344173150.db2.gz WBUKZECVGRBZDW-JTQLQIEISA-N 1 2 244.766 2.120 50 0 BEAALO CCCCNC(=O)[C@H](C)[N@H+]1CCC=C(Cl)C1 ZINC000585141453 344173153 /nfs/dbraw/zinc/17/31/53/344173153.db2.gz WBUKZECVGRBZDW-JTQLQIEISA-N 1 2 244.766 2.120 50 0 BEAALO CCCn1c(C)c[nH+]c1C1CN(C(=O)C(C)C)C1 ZINC000409419948 344966837 /nfs/dbraw/zinc/96/68/37/344966837.db2.gz IVUGVBOXZCOBAE-UHFFFAOYSA-N 1 2 249.358 2.183 50 0 BEAALO CCCn1cc[nH+]c1CN(C)Cc1cc(C)no1 ZINC000215865786 349938099 /nfs/dbraw/zinc/93/80/99/349938099.db2.gz HQTKIAOCLJSTCZ-UHFFFAOYSA-N 1 2 248.330 2.222 50 0 BEAALO c1[nH+]c2ccccn2c1COc1cccnc1 ZINC000005387767 346207734 /nfs/dbraw/zinc/20/77/34/346207734.db2.gz XFBDRFYSSJCSAJ-UHFFFAOYSA-N 1 2 225.251 2.308 50 0 BEAALO Cc1ccccc1C(=O)OCCn1cc[nH+]c1 ZINC000095448038 179252572 /nfs/dbraw/zinc/25/25/72/179252572.db2.gz VAXCONOXANBIHT-UHFFFAOYSA-N 1 2 230.267 2.049 50 0 BEAALO Cc1ccccc1C[N@@H+](C)[C@@H]1C[C@H](C)OC1=O ZINC000040477633 179268846 /nfs/dbraw/zinc/26/88/46/179268846.db2.gz UTEPJJPZARQIRX-WCQYABFASA-N 1 2 233.311 2.131 50 0 BEAALO Cc1ccccc1C[N@H+](C)[C@@H]1C[C@H](C)OC1=O ZINC000040477633 179268850 /nfs/dbraw/zinc/26/88/50/179268850.db2.gz UTEPJJPZARQIRX-WCQYABFASA-N 1 2 233.311 2.131 50 0 BEAALO Cc1[nH+]c2ccccc2n1CCNC(=O)C(C)C ZINC000024477332 180102699 /nfs/dbraw/zinc/10/26/99/180102699.db2.gz VGBKYJPFRLBINF-UHFFFAOYSA-N 1 2 245.326 2.117 50 0 BEAALO COc1ccc(-c2[nH+]ccn2C)c(OC)c1OC ZINC000426503481 191093308 /nfs/dbraw/zinc/09/33/08/191093308.db2.gz VLRWNBXRVXOWFZ-UHFFFAOYSA-N 1 2 248.282 2.113 50 0 BEAALO CC(C)Cc1noc(C[NH+]2CCCCC2)n1 ZINC000040490038 350369349 /nfs/dbraw/zinc/36/93/49/350369349.db2.gz GPNRMTQIRGSACO-UHFFFAOYSA-N 1 2 223.320 2.254 50 0 BEAALO Cc1ccc(NCc2[nH+]ccn2C)cc1 ZINC000034937774 351352566 /nfs/dbraw/zinc/35/25/66/351352566.db2.gz JJVQBJAINXSVDB-UHFFFAOYSA-N 1 2 201.273 2.341 50 0 BEAALO Cc1c[nH]c([C@@H](C)NC(=O)Cc2ccsc2)[nH+]1 ZINC000534660414 352599413 /nfs/dbraw/zinc/59/94/13/352599413.db2.gz YISKUZDBTKDWDR-SECBINFHSA-N 1 2 249.339 2.200 50 0 BEAALO CC(C)CC1(N=c2[nH+]c(N(C)C)[nH]s2)CC1 ZINC000534660405 352599495 /nfs/dbraw/zinc/59/94/95/352599495.db2.gz IOGNAKKEZXFRMO-UHFFFAOYSA-N 1 2 240.376 2.017 50 0 BEAALO C[NH2+]N(C)c1cccc(C(F)(F)F)c1 ZINC000096026637 353640733 /nfs/dbraw/zinc/64/07/33/353640733.db2.gz IYIAOWQHWXGYGU-UHFFFAOYSA-N 1 2 204.195 2.276 50 0 BEAALO Cc1nc(N2CCC(C(F)F)CC2)cc[nH+]1 ZINC000336083561 134076153 /nfs/dbraw/zinc/07/61/53/134076153.db2.gz CNLWWOYQCZTGSV-UHFFFAOYSA-N 1 2 227.258 2.267 50 0 BEAALO C[N@@H+](Cc1ccns1)Cc1cncs1 ZINC000630095464 363554981 /nfs/dbraw/zinc/55/49/81/363554981.db2.gz WHTZLRHBDIRSHF-UHFFFAOYSA-N 1 2 225.342 2.232 50 0 BEAALO C[N@H+](Cc1ccns1)Cc1cncs1 ZINC000630095464 363554985 /nfs/dbraw/zinc/55/49/85/363554985.db2.gz WHTZLRHBDIRSHF-UHFFFAOYSA-N 1 2 225.342 2.232 50 0 BEAALO Cc1cc(N[C@H](C)CO)[nH+]c2ccccc12 ZINC000089600774 538581699 /nfs/dbraw/zinc/58/16/99/538581699.db2.gz RUJXIYLYASMXCR-SNVBAGLBSA-N 1 2 216.284 2.336 50 0 BEAALO CC[N@H+](Cc1noc(C(C)C)n1)C1CC1 ZINC000053607476 357075663 /nfs/dbraw/zinc/07/56/63/357075663.db2.gz YFNAEANBQIXJRK-UHFFFAOYSA-N 1 2 209.293 2.177 50 0 BEAALO CC[N@@H+](Cc1noc(C(C)C)n1)C1CC1 ZINC000053607476 357075668 /nfs/dbraw/zinc/07/56/68/357075668.db2.gz YFNAEANBQIXJRK-UHFFFAOYSA-N 1 2 209.293 2.177 50 0 BEAALO Cc1cc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)no1 ZINC000095422793 360336906 /nfs/dbraw/zinc/33/69/06/360336906.db2.gz JCKQUDUKVOYQHP-GFCCVEGCSA-N 1 2 246.314 2.433 50 0 BEAALO Cc1cc(C(=O)NCCCn2cc[nH+]c2)cs1 ZINC000006793094 360853815 /nfs/dbraw/zinc/85/38/15/360853815.db2.gz ANFJSFHFNPHMRT-UHFFFAOYSA-N 1 2 249.339 2.073 50 0 BEAALO Cc1ccc(C[NH2+]Cc2ccn[nH]2)cc1C ZINC000041015482 374047898 /nfs/dbraw/zinc/04/78/98/374047898.db2.gz PWXNZYWRCFTEGG-UHFFFAOYSA-N 1 2 215.300 2.316 50 0 BEAALO CCCc1nc(C[NH+]2CCC(O)CC2)cs1 ZINC000042651856 374280250 /nfs/dbraw/zinc/28/02/50/374280250.db2.gz UBTWCGPPWMHGRR-UHFFFAOYSA-N 1 2 240.372 2.052 50 0 BEAALO CCCc1nc(C[N@@H+]2CCC[C@@H](O)C2)cs1 ZINC000042651834 374280284 /nfs/dbraw/zinc/28/02/84/374280284.db2.gz WHGNSCDPKMAVIX-LLVKDONJSA-N 1 2 240.372 2.052 50 0 BEAALO CCCc1nc(C[N@H+]2CCC[C@@H](O)C2)cs1 ZINC000042651834 374280291 /nfs/dbraw/zinc/28/02/91/374280291.db2.gz WHGNSCDPKMAVIX-LLVKDONJSA-N 1 2 240.372 2.052 50 0 BEAALO c1cc2nc(c1)CCc1cccc([nH+]1)CC2 ZINC000005162206 183377503 /nfs/dbraw/zinc/37/75/03/183377503.db2.gz AUSUDAIWAPPVQS-UHFFFAOYSA-N 1 2 210.280 2.360 50 0 BEAALO Nn1c2ccccc2[nH+]c1Nc1ccccc1 ZINC000000348750 383856620 /nfs/dbraw/zinc/85/66/20/383856620.db2.gz PBEIJMIMHTVPST-UHFFFAOYSA-N 1 2 224.267 2.494 50 0 BEAALO Cn1ncc2c1nc[nH+]c2NC1CCCCC1 ZINC000000116879 383830649 /nfs/dbraw/zinc/83/06/49/383830649.db2.gz LAQOPFYGEKWGOX-UHFFFAOYSA-N 1 2 231.303 2.108 50 0 BEAALO COC(=O)[C@](C)([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037459717 383977602 /nfs/dbraw/zinc/97/76/02/383977602.db2.gz BYWKSTSGBJNLMJ-SNVBAGLBSA-N 1 2 248.109 2.340 50 0 biogenic BEAALO Nc1c[nH+]cc(C[C@H]2COc3ccccc3C2)c1 ZINC000091708222 384140587 /nfs/dbraw/zinc/14/05/87/384140587.db2.gz WFGSPAAEEDRHHQ-GFCCVEGCSA-N 1 2 240.306 2.458 50 0 BEAALO Cc1cncc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000286114450 384243522 /nfs/dbraw/zinc/24/35/22/384243522.db2.gz LUCJMAVCKKBTEK-CQSZACIVSA-N 1 2 242.326 2.450 50 0 BEAALO Cc1cncc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000286114450 384243526 /nfs/dbraw/zinc/24/35/26/384243526.db2.gz LUCJMAVCKKBTEK-CQSZACIVSA-N 1 2 242.326 2.450 50 0 BEAALO COC(=O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1 ZINC000015022126 384268203 /nfs/dbraw/zinc/26/82/03/384268203.db2.gz FTLRFDGBBQSQMJ-VOTSOKGWSA-N 1 2 242.278 2.118 50 0 BEAALO Cc1ccc(C(=O)CCn2cc[nH+]c2)cc1 ZINC000095348302 384373082 /nfs/dbraw/zinc/37/30/82/384373082.db2.gz QNKCDQIFYWNORX-UHFFFAOYSA-N 1 2 214.268 2.465 50 0 BEAALO C[C@@H](CC(=O)NCc1ccccc1)n1cc[nH+]c1 ZINC000012699451 384332637 /nfs/dbraw/zinc/33/26/37/384332637.db2.gz GCOSGXJCJBOLMI-LBPRGKRZSA-N 1 2 243.310 2.151 50 0 BEAALO FC1(F)CCC[C@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000335621061 384393494 /nfs/dbraw/zinc/39/34/94/384393494.db2.gz PLPLNVDXMISMLU-QMMMGPOBSA-N 1 2 215.247 2.077 50 0 BEAALO O=Cc1cccc(OCCCn2cc[nH+]c2)c1 ZINC000019094072 384509918 /nfs/dbraw/zinc/50/99/18/384509918.db2.gz FRGWXNAVCRFJAF-UHFFFAOYSA-N 1 2 230.267 2.165 50 0 BEAALO c1[nH]c2ccccc2c1C1N2CC[N@@H+]1CCC2 ZINC000019325117 384516860 /nfs/dbraw/zinc/51/68/60/384516860.db2.gz ZWNNWWUKARWDMJ-UHFFFAOYSA-N 1 2 227.311 2.188 50 0 BEAALO c1[nH]c2ccccc2c1C1N2CC[N@H+]1CCC2 ZINC000019325117 384516867 /nfs/dbraw/zinc/51/68/67/384516867.db2.gz ZWNNWWUKARWDMJ-UHFFFAOYSA-N 1 2 227.311 2.188 50 0 BEAALO C[N@H+](Cc1ccno1)Cc1ccccc1F ZINC000066562690 384557034 /nfs/dbraw/zinc/55/70/34/384557034.db2.gz XFWOWWCJOPIJHS-UHFFFAOYSA-N 1 2 220.247 2.446 50 0 BEAALO C[N@@H+](Cc1ccno1)Cc1ccccc1F ZINC000066562690 384557041 /nfs/dbraw/zinc/55/70/41/384557041.db2.gz XFWOWWCJOPIJHS-UHFFFAOYSA-N 1 2 220.247 2.446 50 0 BEAALO Cc1ccc(F)c(NCc2c[nH+]cn2C)c1 ZINC000085167993 384769122 /nfs/dbraw/zinc/76/91/22/384769122.db2.gz DJBIFWRDYSSEID-UHFFFAOYSA-N 1 2 219.263 2.480 50 0 BEAALO Cc1ccc(C)c(OCC[NH+]2CCOCC2)c1 ZINC000023549817 384800428 /nfs/dbraw/zinc/80/04/28/384800428.db2.gz PQYDNTCGPLQXLW-UHFFFAOYSA-N 1 2 235.327 2.014 50 0 BEAALO c1ccc(N2CCC[C@@H](OCC3CC3)C2)[nH+]c1 ZINC000328588465 384979468 /nfs/dbraw/zinc/97/94/68/384979468.db2.gz PVHVENBMIQMEMH-CYBMUJFWSA-N 1 2 232.327 2.477 50 0 BEAALO Cc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000005588439 385201517 /nfs/dbraw/zinc/20/15/17/385201517.db2.gz UZMLPMPDXJAKOJ-UHFFFAOYSA-N 1 2 243.310 2.012 50 0 BEAALO O=C(Nc1ccccc1-c1[nH]cc[nH+]1)C1CC1 ZINC000072306642 385217510 /nfs/dbraw/zinc/21/75/10/385217510.db2.gz DIFIAVIVVDERSN-UHFFFAOYSA-N 1 2 227.267 2.425 50 0 BEAALO CC(=O)Nc1cccc(-c2ccc(N)[nH+]c2)c1 ZINC000065380603 385304125 /nfs/dbraw/zinc/30/41/25/385304125.db2.gz YFTPCVCKVVDELU-UHFFFAOYSA-N 1 2 227.267 2.289 50 0 BEAALO CC[C@H](c1cccnc1)N(C)Cc1[nH]cc[nH+]1 ZINC000065500110 385317031 /nfs/dbraw/zinc/31/70/31/385317031.db2.gz SXTQDVMFFUYTRC-GFCCVEGCSA-N 1 2 230.315 2.388 50 0 BEAALO CC[C@H](c1cccnc1)[N@H+](C)Cc1ncc[nH]1 ZINC000065500110 385317036 /nfs/dbraw/zinc/31/70/36/385317036.db2.gz SXTQDVMFFUYTRC-GFCCVEGCSA-N 1 2 230.315 2.388 50 0 BEAALO CC[C@H](c1cccnc1)[N@@H+](C)Cc1ncc[nH]1 ZINC000065500110 385317042 /nfs/dbraw/zinc/31/70/42/385317042.db2.gz SXTQDVMFFUYTRC-GFCCVEGCSA-N 1 2 230.315 2.388 50 0 BEAALO CC(C)CCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000041287846 385800397 /nfs/dbraw/zinc/80/03/97/385800397.db2.gz RKQPXWOEVDLPDI-UHFFFAOYSA-N 1 2 245.326 2.039 50 0 BEAALO O=C1SCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000058167054 385949756 /nfs/dbraw/zinc/94/97/56/385949756.db2.gz YQFPHGZGVHNBLP-SNVBAGLBSA-N 1 2 241.743 2.462 50 0 BEAALO C[C@]12CC[N@H+](Cc3ccon3)C[C@H]1C2(F)F ZINC000298403993 386337567 /nfs/dbraw/zinc/33/75/67/386337567.db2.gz WTFIFEYYAKSEEF-ZJUUUORDSA-N 1 2 228.242 2.152 50 0 BEAALO C[C@]12CC[N@@H+](Cc3ccon3)C[C@H]1C2(F)F ZINC000298403993 386337573 /nfs/dbraw/zinc/33/75/73/386337573.db2.gz WTFIFEYYAKSEEF-ZJUUUORDSA-N 1 2 228.242 2.152 50 0 BEAALO CC1=CC=CC(c2nc(C(C)C)no2)C1=[NH2+] ZINC000102540835 387048330 /nfs/dbraw/zinc/04/83/30/387048330.db2.gz TYQPVYPJSANJKS-QPJMWLODSA-N 1 2 217.272 2.323 50 0 BEAALO Cc1cccc(/C=C/C(=O)NC2=[NH+]CCS2)c1 ZINC000009954533 388087504 /nfs/dbraw/zinc/08/75/04/388087504.db2.gz LZWRFWCOMJSHTN-AATRIKPKSA-N 1 2 246.335 2.227 50 0 BEAALO COC[C@@H]([NH2+]Cc1csnn1)c1ccccc1 ZINC000253418753 388592470 /nfs/dbraw/zinc/59/24/70/388592470.db2.gz SUTXOIASZQJVGU-GFCCVEGCSA-N 1 2 249.339 2.015 50 0 BEAALO COC(=O)[C@H]([NH3+])c1cccc(Cl)c1Cl ZINC000037459750 388683126 /nfs/dbraw/zinc/68/31/26/388683126.db2.gz RIAVGLDRZKVQHO-MRVPVSSYSA-N 1 2 234.082 2.166 50 0 biogenic BEAALO Cc1cc(C)n(C[C@@H](C)Nc2cccc[nH+]2)n1 ZINC000095403123 388766334 /nfs/dbraw/zinc/76/63/34/388766334.db2.gz JJCLMWSBXGBRNR-LLVKDONJSA-N 1 2 230.315 2.396 50 0 BEAALO Cc1ccc(NC(=O)NCc2[nH]cc[nH+]2)s1 ZINC000095439438 388771347 /nfs/dbraw/zinc/77/13/47/388771347.db2.gz UBDLRJAHJYUUQA-UHFFFAOYSA-N 1 2 236.300 2.101 50 0 BEAALO C[C@@H]1C[C@H](C(=O)NCc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC000097235819 388835497 /nfs/dbraw/zinc/83/54/97/388835497.db2.gz RXOBDRVVAUZKKE-MNOVXSKESA-N 1 2 249.358 2.488 50 0 BEAALO CC(C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038832215 167088466 /nfs/dbraw/zinc/08/84/66/167088466.db2.gz NSCQQZVWQBHOQH-UHFFFAOYSA-N 1 2 243.310 2.070 50 0 BEAALO CCOC(=[NH2+])c1ccc(CC(=O)OCC)cc1 ZINC000255187020 170179974 /nfs/dbraw/zinc/17/99/74/170179974.db2.gz ATNLQUNNEVSECB-UHFFFAOYSA-N 1 2 235.283 2.154 50 0 BEAALO CN(C)c1ccc(CNC(=O)CC(C)(C)C)c[nH+]1 ZINC000040510871 172553517 /nfs/dbraw/zinc/55/35/17/172553517.db2.gz DVRHRJLVDAOACQ-UHFFFAOYSA-N 1 2 249.358 2.200 50 0 BEAALO C[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000019929686 173166693 /nfs/dbraw/zinc/16/66/93/173166693.db2.gz PXCCYWKGOYWGFS-UHFFFAOYSA-N 1 2 204.248 2.295 50 0 BEAALO C[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000019929686 173166690 /nfs/dbraw/zinc/16/66/90/173166690.db2.gz PXCCYWKGOYWGFS-UHFFFAOYSA-N 1 2 204.248 2.295 50 0 BEAALO COCC[N@H+](CC(F)F)[C@H]1C=CCCC1 ZINC000066532612 174288862 /nfs/dbraw/zinc/28/88/62/174288862.db2.gz MMYCRMCHNPLFAA-JTQLQIEISA-N 1 2 219.275 2.309 50 0 BEAALO COCC[N@@H+](CC(F)F)[C@H]1C=CCCC1 ZINC000066532612 174288863 /nfs/dbraw/zinc/28/88/63/174288863.db2.gz MMYCRMCHNPLFAA-JTQLQIEISA-N 1 2 219.275 2.309 50 0 BEAALO COc1ccc(C)cc1C[N@@H+]1CCO[C@H](C)C1 ZINC000054172227 175075574 /nfs/dbraw/zinc/07/55/74/175075574.db2.gz WQTJGKLUXAVLIJ-GFCCVEGCSA-N 1 2 235.327 2.224 50 0 BEAALO COc1ccc(C)cc1C[N@H+]1CCO[C@H](C)C1 ZINC000054172227 175075576 /nfs/dbraw/zinc/07/55/76/175075576.db2.gz WQTJGKLUXAVLIJ-GFCCVEGCSA-N 1 2 235.327 2.224 50 0 BEAALO COc1ccc(C)cc1Nc1nc(N)cc(C)[nH+]1 ZINC000075156683 175079102 /nfs/dbraw/zinc/07/91/02/175079102.db2.gz FLWWXSARMCCDNX-UHFFFAOYSA-N 1 2 244.298 2.428 50 0 BEAALO COc1ccc(F)c(-c2ccc(N)[nH+]c2)c1 ZINC000065408638 175123889 /nfs/dbraw/zinc/12/38/89/175123889.db2.gz JBRFWOHPZRFWEY-UHFFFAOYSA-N 1 2 218.231 2.479 50 0 BEAALO COc1ccc(NC2=[NH+]CCCCC2)nc1 ZINC000006373185 175149951 /nfs/dbraw/zinc/14/99/51/175149951.db2.gz JCCBSTGMWKDORU-UHFFFAOYSA-N 1 2 219.288 2.475 50 0 BEAALO COc1cc[nH+]cc1NC(=O)Nc1ccccn1 ZINC000058208481 175374970 /nfs/dbraw/zinc/37/49/70/175374970.db2.gz QDNTXEZKYIJFHM-UHFFFAOYSA-N 1 2 244.254 2.129 50 0 BEAALO COc1cc[nH+]cc1NC(=O)CC(C)(C)C ZINC000065587318 175375908 /nfs/dbraw/zinc/37/59/08/175375908.db2.gz LELMTMWJQSOYGG-UHFFFAOYSA-N 1 2 222.288 2.465 50 0 BEAALO C[C@@H]1C[NH+]=C(Nc2ccccc2N)S1 ZINC000003103230 176324107 /nfs/dbraw/zinc/32/41/07/176324107.db2.gz FVWQMXXGNNZXCC-SSDOTTSWSA-N 1 2 207.302 2.172 50 0 BEAALO C[C@@H]1COCC[N@@H+]1Cc1ccccc1F ZINC000046773890 176337157 /nfs/dbraw/zinc/33/71/57/176337157.db2.gz DELPCRJDHVFEEI-SNVBAGLBSA-N 1 2 209.264 2.046 50 0 BEAALO C[C@@H]1COCC[N@H+]1Cc1ccccc1F ZINC000046773890 176337160 /nfs/dbraw/zinc/33/71/60/176337160.db2.gz DELPCRJDHVFEEI-SNVBAGLBSA-N 1 2 209.264 2.046 50 0 BEAALO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1nccn1C ZINC000071897183 177037977 /nfs/dbraw/zinc/03/79/77/177037977.db2.gz RAVOAYFTXZVDCE-LLVKDONJSA-N 1 2 245.326 2.319 50 0 BEAALO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1nccn1C ZINC000071897183 177037978 /nfs/dbraw/zinc/03/79/78/177037978.db2.gz RAVOAYFTXZVDCE-LLVKDONJSA-N 1 2 245.326 2.319 50 0 BEAALO C[C@H](c1cccc(O)c1)N(C)Cc1[nH+]ccn1C ZINC000071897183 177037979 /nfs/dbraw/zinc/03/79/79/177037979.db2.gz RAVOAYFTXZVDCE-LLVKDONJSA-N 1 2 245.326 2.319 50 0 BEAALO Cc1cccn2c(CNc3ccon3)c[nH+]c12 ZINC000097379566 322987872 /nfs/dbraw/zinc/98/78/72/322987872.db2.gz NVKGXUMKEQULQG-UHFFFAOYSA-N 1 2 228.255 2.243 50 0 BEAALO CCC[C@H](NC(=O)c1ccoc1)c1[nH+]ccn1C ZINC000534656079 323157755 /nfs/dbraw/zinc/15/77/55/323157755.db2.gz UZCDAEDPOAVYPU-NSHDSACASA-N 1 2 247.298 2.284 50 0 BEAALO C[C@@H](N[C@@H](C)c1cscn1)c1[nH+]ccn1C ZINC000566865151 326090053 /nfs/dbraw/zinc/09/00/53/326090053.db2.gz USHZXCKBKDDEAS-DTWKUNHWSA-N 1 2 236.344 2.288 50 0 BEAALO C[NH2+][C@@H](CC(C)C)C(=O)OCc1ccccc1 ZINC000071788265 490278279 /nfs/dbraw/zinc/27/82/79/490278279.db2.gz CXFYAORPHAAFTE-ZDUSSCGKSA-N 1 2 235.327 2.364 50 0 BEAALO CCc1nsc(NCCc2ccc(C)[nH+]c2)n1 ZINC000080981872 491156776 /nfs/dbraw/zinc/15/67/76/491156776.db2.gz IYLRZYOJFAJQGF-UHFFFAOYSA-N 1 2 248.355 2.459 50 0 BEAALO CC(=O)Nc1cc(N)ccc1[NH+]1CCCCC1 ZINC000012379573 534697874 /nfs/dbraw/zinc/69/78/74/534697874.db2.gz DVBYLBOQEMKQKL-UHFFFAOYSA-N 1 2 233.315 2.218 50 0 BEAALO Cc1nc[nH]c1C[NH2+]Cc1cc(CC(C)C)no1 ZINC000952970050 644446412 /nfs/dbraw/zinc/44/64/12/644446412.db2.gz QECWLCUHMPKEQG-UHFFFAOYSA-N 1 2 248.330 2.194 50 0 BEAALO Cc1cccc2nc[nH+]c(N3CCCCN3)c12 ZINC000240912278 398159956 /nfs/dbraw/zinc/15/99/56/398159956.db2.gz IXCPLWUBFGSEFZ-UHFFFAOYSA-N 1 2 228.299 2.043 50 0 BEAALO Cc1cc(N)nc(Nc2cccc([C@H](C)O)c2)[nH+]1 ZINC000075156674 178109911 /nfs/dbraw/zinc/10/99/11/178109911.db2.gz OYEZOJTUAZFUAP-VIFPVBQESA-N 1 2 244.298 2.164 50 0 BEAALO Cc1cc(NC(=O)/C=C/c2ccncc2)cc[nH+]1 ZINC000072281116 178124332 /nfs/dbraw/zinc/12/43/32/178124332.db2.gz JOIVKOOMIJZYNY-NSCUHMNNSA-N 1 2 239.278 2.437 50 0 BEAALO Cc1cc(NCCc2ccccc2)nc[nH+]1 ZINC000011902794 178163418 /nfs/dbraw/zinc/16/34/18/178163418.db2.gz WGVKMDLFHPQJBO-UHFFFAOYSA-N 1 2 213.284 2.440 50 0 BEAALO CC(=O)N[C@H](c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000000134061 342676383 /nfs/dbraw/zinc/67/63/83/342676383.db2.gz HGVICGBANWNCQY-LBPRGKRZSA-N 1 2 249.701 2.220 50 0 BEAALO Cc1cc(Br)cn2cc[nH+]c12 ZINC000004024446 342741075 /nfs/dbraw/zinc/74/10/75/342741075.db2.gz FUGACMZCEQHBIU-UHFFFAOYSA-N 1 2 211.062 2.405 50 0 BEAALO Clc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000005687385 342768466 /nfs/dbraw/zinc/76/84/66/342768466.db2.gz QKLNZAXCSBCBHV-UHFFFAOYSA-N 1 2 237.690 2.053 50 0 BEAALO COC(=O)CCCCc1[nH]c2ccccc2[nH+]1 ZINC000011735084 342842885 /nfs/dbraw/zinc/84/28/85/342842885.db2.gz CFASXJUJLWYMFX-UHFFFAOYSA-N 1 2 232.283 2.449 50 0 BEAALO CC[C@@H](C)[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000042417214 361998471 /nfs/dbraw/zinc/99/84/71/361998471.db2.gz VRGQQBLIBHVYMT-RKDXNWHRSA-N 1 2 233.319 2.210 50 0 BEAALO Nc1ccc[nH+]c1Nc1ccc(O)cc1 ZINC000020317443 342981988 /nfs/dbraw/zinc/98/19/88/342981988.db2.gz VDKIMNUBAYDJEU-UHFFFAOYSA-N 1 2 201.229 2.113 50 0 BEAALO Clc1ncc(C[NH+]2CCSCC2)s1 ZINC000020405785 342984886 /nfs/dbraw/zinc/98/48/86/342984886.db2.gz 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Cc1[nH+]c2ccccc2n1C[C@@H](O)C(F)(F)F ZINC000068877915 180104702 /nfs/dbraw/zinc/10/47/02/180104702.db2.gz WIWPZUODOSEPJR-SNVBAGLBSA-N 1 2 244.216 2.268 50 0 BEAALO Cc1nc(N[C@@H]2CCCCC[C@@H]2CO)cc[nH+]1 ZINC000097014134 180203420 /nfs/dbraw/zinc/20/34/20/180203420.db2.gz YOYHOGQSPJEWKD-VXGBXAGGSA-N 1 2 235.331 2.138 50 0 BEAALO Cc1[nH+]cc2c(c1C(N)=S)[C@@H](C)CCC2 ZINC000072447010 180178525 /nfs/dbraw/zinc/17/85/25/180178525.db2.gz KOJGFWFVINEQKK-ZETCQYMHSA-N 1 2 220.341 2.464 50 0 BEAALO Cc1[nH+]cccc1NCc1cn(C(C)(C)C)nn1 ZINC000189956662 180225915 /nfs/dbraw/zinc/22/59/15/180225915.db2.gz BCZDTKJHSLHYCR-UHFFFAOYSA-N 1 2 245.330 2.349 50 0 BEAALO Fc1cc(Br)c2[nH+]ccn2c1 ZINC000082534755 188138165 /nfs/dbraw/zinc/13/81/65/188138165.db2.gz USDJRHUYKUZVBQ-UHFFFAOYSA-N 1 2 215.025 2.236 50 0 BEAALO CS[C@@H]1CC[C@H]([N@H+](C)CC(F)F)C1 ZINC000308294825 355313147 /nfs/dbraw/zinc/31/31/47/355313147.db2.gz HLOKHFJNNISLEQ-JGVFFNPUSA-N 1 2 209.305 2.467 50 0 BEAALO CS[C@@H]1CC[C@H]([N@@H+](C)CC(F)F)C1 ZINC000308294825 355313149 /nfs/dbraw/zinc/31/31/49/355313149.db2.gz HLOKHFJNNISLEQ-JGVFFNPUSA-N 1 2 209.305 2.467 50 0 BEAALO CC[N@H+](Cc1cccs1)[C@H]1C[C@H](C)OC1=O ZINC000095978491 371369054 /nfs/dbraw/zinc/36/90/54/371369054.db2.gz SODIJYHNZQMAKB-ONGXEEELSA-N 1 2 239.340 2.274 50 0 BEAALO CC[N@@H+](Cc1cccs1)[C@H]1C[C@H](C)OC1=O ZINC000095978491 371369059 /nfs/dbraw/zinc/36/90/59/371369059.db2.gz SODIJYHNZQMAKB-ONGXEEELSA-N 1 2 239.340 2.274 50 0 BEAALO Nc1ccc(CNc2nc(C3CC3)ns2)c[nH+]1 ZINC000170610797 181707293 /nfs/dbraw/zinc/70/72/93/181707293.db2.gz CEGNQPZHDYAVHT-UHFFFAOYSA-N 1 2 247.327 2.005 50 0 BEAALO CCCC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000004248458 372182906 /nfs/dbraw/zinc/18/29/06/372182906.db2.gz UGWXPLKMRKGHKK-UHFFFAOYSA-N 1 2 245.326 2.102 50 0 BEAALO O=C(Cn1cc[nH+]c1)Nc1cccc(Cl)c1 ZINC000010809310 182071396 /nfs/dbraw/zinc/07/13/96/182071396.db2.gz SMCWLOCXACKHIN-UHFFFAOYSA-N 1 2 235.674 2.175 50 0 BEAALO O=C(Cn1cc[nH+]c1)Nc1ccc(Cl)cc1 ZINC000010809330 182071161 /nfs/dbraw/zinc/07/11/61/182071161.db2.gz UKWDOOLMTJKKAJ-UHFFFAOYSA-N 1 2 235.674 2.175 50 0 BEAALO O=C(NC1=[NH+]CCS1)[C@H]1C[C@@H]1c1ccccc1 ZINC000002737101 182093294 /nfs/dbraw/zinc/09/32/94/182093294.db2.gz KRMDOGUODZDKRY-MNOVXSKESA-N 1 2 246.335 2.009 50 0 BEAALO O=C(NCCCn1cc[nH+]c1)Nc1ccccc1 ZINC000004370312 182177125 /nfs/dbraw/zinc/17/71/25/182177125.db2.gz GFVIPQJBDLCTND-UHFFFAOYSA-N 1 2 244.298 2.095 50 0 BEAALO O[C@@H](CNc1cccc[nH+]1)c1ccccc1 ZINC000022910917 183182388 /nfs/dbraw/zinc/18/23/88/183182388.db2.gz ZEAJXCPGHPJVNP-LBPRGKRZSA-N 1 2 214.268 2.227 50 0 in-man BEAALO OCc1c[nH+]cn1Cc1ccc(Cl)cc1 ZINC000043224381 183170960 /nfs/dbraw/zinc/17/09/60/183170960.db2.gz UKUATNPCCUQCCL-UHFFFAOYSA-N 1 2 222.675 2.077 50 0 BEAALO Oc1cc(F)cc(C[NH+]2CCSCC2)c1 ZINC000274535801 183259464 /nfs/dbraw/zinc/25/94/64/183259464.db2.gz FHEXWXCGYLSTIA-UHFFFAOYSA-N 1 2 227.304 2.080 50 0 BEAALO c1c(C[NH+]2CCSCC2)noc1C1CC1 ZINC000064556222 183321103 /nfs/dbraw/zinc/32/11/03/183321103.db2.gz FJRMOOHWBMXQIO-UHFFFAOYSA-N 1 2 224.329 2.101 50 0 BEAALO CCCOc1ccc([C@@H]([NH3+])C(=O)OCC)cc1 ZINC000022204395 169321533 /nfs/dbraw/zinc/32/15/33/169321533.db2.gz COUCRUSVTJUKCQ-GFCCVEGCSA-N 1 2 237.299 2.038 50 0 BEAALO CCCOc1ccccc1[C@@H]([NH3+])C(=O)OCC ZINC000022204478 169327760 /nfs/dbraw/zinc/32/77/60/169327760.db2.gz GMLKYGMJVDFHKI-GFCCVEGCSA-N 1 2 237.299 2.038 50 0 BEAALO CCC[C@@H](C)C(=O)NCc1cc[nH+]c(N(C)C)c1 ZINC000040087649 169350903 /nfs/dbraw/zinc/35/09/03/169350903.db2.gz KGSYEIQALLPANR-LLVKDONJSA-N 1 2 249.358 2.200 50 0 BEAALO Cc1[nH+]c(C(=O)C(F)(F)F)c2ccccn12 ZINC000068575442 383999755 /nfs/dbraw/zinc/99/97/55/383999755.db2.gz TXPTYBILHJJZGF-UHFFFAOYSA-N 1 2 228.173 2.388 50 0 BEAALO Cc1nc(NCCOCc2ccccc2)cc[nH+]1 ZINC000080686263 384174060 /nfs/dbraw/zinc/17/40/60/384174060.db2.gz BNWZQNZDMFSWPN-UHFFFAOYSA-N 1 2 243.310 2.414 50 0 BEAALO CC(C)[C@H]1COC(=O)N1Cc1[nH+]ccn1C1CC1 ZINC000095520576 384381466 /nfs/dbraw/zinc/38/14/66/384381466.db2.gz GGKUKEYGJVXLIZ-LLVKDONJSA-N 1 2 249.314 2.195 50 0 BEAALO CC(C)C(C)(C)Nc1[nH+]cnc2c1cnn2C ZINC000514677665 384469838 /nfs/dbraw/zinc/46/98/38/384469838.db2.gz YFBCTMCUHVUZFA-UHFFFAOYSA-N 1 2 233.319 2.210 50 0 BEAALO C[C@@H]1OCCN(c2[nH]c3ccccc3[nH+]2)[C@H]1C ZINC000270561994 384535993 /nfs/dbraw/zinc/53/59/93/384535993.db2.gz JZIAIMDPJNHGMK-UWVGGRQHSA-N 1 2 231.299 2.177 50 0 BEAALO Cc1cc(C)c(OCC[NH+]2CCOCC2)c(C)c1 ZINC000019638353 384531536 /nfs/dbraw/zinc/53/15/36/384531536.db2.gz BMCNSNITRUYHLG-UHFFFAOYSA-N 1 2 249.354 2.323 50 0 BEAALO c1cn(Cc2noc(-c3ccsc3)n2)c[nH+]1 ZINC000095427797 384557475 /nfs/dbraw/zinc/55/74/75/384557475.db2.gz WMIIVUYOMYSVMU-UHFFFAOYSA-N 1 2 232.268 2.043 50 0 BEAALO CC(C)Cn1c2ccccc2[nH+]c1NCCO ZINC000100114746 384617159 /nfs/dbraw/zinc/61/71/59/384617159.db2.gz KPIHRCJUUUOYGO-UHFFFAOYSA-N 1 2 233.315 2.097 50 0 BEAALO Cn1cc[nH+]c1CC(=O)c1ccc(Cl)cc1 ZINC000086486067 384654900 /nfs/dbraw/zinc/65/49/00/384654900.db2.gz IZUJXVRZYDUZJT-UHFFFAOYSA-N 1 2 234.686 2.499 50 0 BEAALO C=C(c1ccc(Br)cn1)[NH+](C)C ZINC000100994755 384660741 /nfs/dbraw/zinc/66/07/41/384660741.db2.gz VPEFVMHIGFXEJF-UHFFFAOYSA-N 1 2 227.105 2.376 50 0 BEAALO FC[C@H]1CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000292667453 384781137 /nfs/dbraw/zinc/78/11/37/384781137.db2.gz CWYXXRXIUWJRHZ-SNVBAGLBSA-N 1 2 221.279 2.292 50 0 BEAALO C[C@H]1CCC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC000025571758 384853983 /nfs/dbraw/zinc/85/39/83/384853983.db2.gz DRMYJUKLZOQQMY-VHSXEESVSA-N 1 2 245.330 2.354 50 0 BEAALO Cc1[nH]cc(CN(C)[C@H](C)c2ccccn2)[nH+]1 ZINC000065387877 385304409 /nfs/dbraw/zinc/30/44/09/385304409.db2.gz LORGPROSMJJJJX-SNVBAGLBSA-N 1 2 230.315 2.306 50 0 BEAALO Cc1[nH]c(CN(C)[C@H](C)c2ccccn2)c[nH+]1 ZINC000065387877 385304415 /nfs/dbraw/zinc/30/44/15/385304415.db2.gz LORGPROSMJJJJX-SNVBAGLBSA-N 1 2 230.315 2.306 50 0 BEAALO C[N@H+](Cc1cncs1)Cc1ccncc1 ZINC000183736879 385878555 /nfs/dbraw/zinc/87/85/55/385878555.db2.gz GSRHDZQAPPICAV-UHFFFAOYSA-N 1 2 219.313 2.170 50 0 BEAALO C[N@@H+](Cc1cncs1)Cc1ccncc1 ZINC000183736879 385878561 /nfs/dbraw/zinc/87/85/61/385878561.db2.gz GSRHDZQAPPICAV-UHFFFAOYSA-N 1 2 219.313 2.170 50 0 BEAALO Cn1c[nH+]cc1Cc1nc(-c2ccccc2)no1 ZINC000225404495 386190469 /nfs/dbraw/zinc/19/04/69/386190469.db2.gz RRBPLRDDJLCDAY-UHFFFAOYSA-N 1 2 240.266 2.061 50 0 BEAALO C[C@]1(CO)CCC[C@@H]1Nc1cccc[nH+]1 ZINC000098013795 386215327 /nfs/dbraw/zinc/21/53/27/386215327.db2.gz DOBSILVWMKGTTF-CMPLNLGQSA-N 1 2 206.289 2.045 50 0 BEAALO Cc1cc(C[N@@H+]2CCC[C@](C)(F)C2)ncn1 ZINC000295305617 387084606 /nfs/dbraw/zinc/08/46/06/387084606.db2.gz FOTXSTUTDLZDFK-LBPRGKRZSA-N 1 2 223.295 2.109 50 0 BEAALO Cc1cc(C[N@H+]2CCC[C@](C)(F)C2)ncn1 ZINC000295305617 387084611 /nfs/dbraw/zinc/08/46/11/387084611.db2.gz FOTXSTUTDLZDFK-LBPRGKRZSA-N 1 2 223.295 2.109 50 0 BEAALO Cc1nnc(C[NH+]2CCC(CF)CC2)s1 ZINC000336260090 387095949 /nfs/dbraw/zinc/09/59/49/387095949.db2.gz UMQCYKBCDGLIBG-UHFFFAOYSA-N 1 2 229.324 2.028 50 0 BEAALO Cc1cc(C[N@@H+]2CCC[C@](C)(F)C2)no1 ZINC000295400412 387145771 /nfs/dbraw/zinc/14/57/71/387145771.db2.gz LZLISYXGUNGUDY-NSHDSACASA-N 1 2 212.268 2.307 50 0 BEAALO Cc1cc(C[N@H+]2CCC[C@](C)(F)C2)no1 ZINC000295400412 387145774 /nfs/dbraw/zinc/14/57/74/387145774.db2.gz LZLISYXGUNGUDY-NSHDSACASA-N 1 2 212.268 2.307 50 0 BEAALO Fc1cccc(-c2noc(Cn3cc[nH+]c3)n2)c1 ZINC000064542868 387211830 /nfs/dbraw/zinc/21/18/30/387211830.db2.gz XKUVRKGWJHQVSB-UHFFFAOYSA-N 1 2 244.229 2.121 50 0 BEAALO CCSCC[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000121783469 387406649 /nfs/dbraw/zinc/40/66/49/387406649.db2.gz MCWROVXHEVBKAF-SNVBAGLBSA-N 1 2 240.376 2.085 50 0 BEAALO CCSCC[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000121783469 387406655 /nfs/dbraw/zinc/40/66/55/387406655.db2.gz MCWROVXHEVBKAF-SNVBAGLBSA-N 1 2 240.376 2.085 50 0 BEAALO CCN(CC)c1nc(N)cc(-c2ccsc2)[nH+]1 ZINC000426544542 387580543 /nfs/dbraw/zinc/58/05/43/387580543.db2.gz WZOZUQYHZWPIRV-UHFFFAOYSA-N 1 2 248.355 2.464 50 0 BEAALO c1c(CSc2ncccn2)[nH+]c2ccccn12 ZINC000006698393 387625959 /nfs/dbraw/zinc/62/59/59/387625959.db2.gz PDOACFVNPHRPNW-UHFFFAOYSA-N 1 2 242.307 2.417 50 0 BEAALO Cc1noc([C@@H](C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000042651693 387634670 /nfs/dbraw/zinc/63/46/70/387634670.db2.gz TUFZBPOGGCBNHK-SNVBAGLBSA-N 1 2 243.310 2.497 50 0 BEAALO Cc1noc([C@@H](C)[N@H+]2CCc3ccccc3C2)n1 ZINC000042651693 387634674 /nfs/dbraw/zinc/63/46/74/387634674.db2.gz TUFZBPOGGCBNHK-SNVBAGLBSA-N 1 2 243.310 2.497 50 0 BEAALO c1csc(-c2nc(Cn3cc[nH+]c3)no2)c1 ZINC000065288300 388255831 /nfs/dbraw/zinc/25/58/31/388255831.db2.gz NIQCOYTZQLMCFR-UHFFFAOYSA-N 1 2 232.268 2.043 50 0 BEAALO C[C@H](Nc1[nH+]cnc2c1cnn2C)c1ccco1 ZINC000014266519 388291775 /nfs/dbraw/zinc/29/17/75/388291775.db2.gz VPGQDYPJSSEPRN-QMMMGPOBSA-N 1 2 243.270 2.129 50 0 BEAALO O=C(CCc1[nH]cc[nH+]1)NCC1(C2CC2)CCC1 ZINC000253407794 388591190 /nfs/dbraw/zinc/59/11/90/388591190.db2.gz KZKMLBPWUOWFOM-UHFFFAOYSA-N 1 2 247.342 2.039 50 0 BEAALO Fc1ccc(Cl)cc1C[NH2+]Cc1cc[nH]n1 ZINC000095435695 388772051 /nfs/dbraw/zinc/77/20/51/388772051.db2.gz DMLPBBLUXINDTJ-UHFFFAOYSA-N 1 2 239.681 2.492 50 0 BEAALO C/C=C/C=C\C(=O)Nc1cc[nH+]c(C)c1 ZINC000096298441 388814849 /nfs/dbraw/zinc/81/48/49/388814849.db2.gz CGIPFYWRRWKCOQ-ICWBMWKASA-N 1 2 202.257 2.461 50 0 BEAALO Nc1ccc(CNc2nc3ccccc3o2)c[nH+]1 ZINC000193385911 388865040 /nfs/dbraw/zinc/86/50/40/388865040.db2.gz AWXHWSAQJIRDPK-UHFFFAOYSA-N 1 2 240.266 2.417 50 0 BEAALO CC[C@@H]1CCCCN1c1[nH+]cnc2c1cnn2C ZINC000014140785 132322554 /nfs/dbraw/zinc/32/25/54/132322554.db2.gz QZVFMRIEWXZPHP-SNVBAGLBSA-N 1 2 245.330 2.132 50 0 BEAALO Fc1cccc(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC000071899523 132395237 /nfs/dbraw/zinc/39/52/37/132395237.db2.gz RPLXPOQEUSFGLT-UHFFFAOYSA-N 1 2 246.289 2.259 50 0 BEAALO Cc1cc(N2CCC(F)(F)[C@@H](C)C2)nc[nH+]1 ZINC000336026714 134057274 /nfs/dbraw/zinc/05/72/74/134057274.db2.gz UWBNQTBLPIZREW-QMMMGPOBSA-N 1 2 227.258 2.267 50 0 BEAALO C[C@@]1(F)CCC[N@H+](Cc2cncs2)C1 ZINC000336215584 134137028 /nfs/dbraw/zinc/13/70/28/134137028.db2.gz ZINLBMKCMKDPRH-SNVBAGLBSA-N 1 2 214.309 2.467 50 0 BEAALO C[C@@]1(F)CCC[N@@H+](Cc2cncs2)C1 ZINC000336215584 134137029 /nfs/dbraw/zinc/13/70/29/134137029.db2.gz ZINLBMKCMKDPRH-SNVBAGLBSA-N 1 2 214.309 2.467 50 0 BEAALO Cn1c[nH+]cc1CNc1cccc(F)c1 ZINC000085167696 134224627 /nfs/dbraw/zinc/22/46/27/134224627.db2.gz DFQQULPFSNHCPE-UHFFFAOYSA-N 1 2 205.236 2.171 50 0 BEAALO CC[C@H](NC(=O)C=C(C)C1CC1)c1[nH]cc[nH+]1 ZINC000222333533 398123972 /nfs/dbraw/zinc/12/39/72/398123972.db2.gz AFBLHSUZGGPFAN-FBOQAHMBSA-N 1 2 233.315 2.333 50 0 BEAALO CC[C@H](NC(=O)/C=C(\C)C1CC1)c1[nH]cc[nH+]1 ZINC000222333533 398123975 /nfs/dbraw/zinc/12/39/75/398123975.db2.gz AFBLHSUZGGPFAN-FBOQAHMBSA-N 1 2 233.315 2.333 50 0 BEAALO CC(C)N1CNc2[nH+]c3ccccc3n2C1 ZINC000005858880 167027819 /nfs/dbraw/zinc/02/78/19/167027819.db2.gz FWTUBIMXHVVJAR-UHFFFAOYSA-N 1 2 216.288 2.087 50 0 BEAALO CC(C)Oc1cccc(C[NH+]2CCOCC2)c1 ZINC000051151155 167304468 /nfs/dbraw/zinc/30/44/68/167304468.db2.gz XFFXYXXEKOPIPT-UHFFFAOYSA-N 1 2 235.327 2.306 50 0 BEAALO CCC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000032843433 168236436 /nfs/dbraw/zinc/23/64/36/168236436.db2.gz RQDKAYWTNPUQIT-ZDUSSCGKSA-N 1 2 243.310 2.036 50 0 BEAALO CCOC(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000042635272 170216011 /nfs/dbraw/zinc/21/60/11/170216011.db2.gz NGAUZZFSEGBMCE-ZDUSSCGKSA-N 1 2 233.311 2.169 50 0 BEAALO CCOC(=O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000042635272 170216012 /nfs/dbraw/zinc/21/60/12/170216012.db2.gz NGAUZZFSEGBMCE-ZDUSSCGKSA-N 1 2 233.311 2.169 50 0 BEAALO CCOC(=O)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000065624326 170218882 /nfs/dbraw/zinc/21/88/82/170218882.db2.gz ARKPDSSPTOQELQ-LLVKDONJSA-N 1 2 239.340 2.448 50 0 BEAALO CCOC(=O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000065624326 170218884 /nfs/dbraw/zinc/21/88/84/170218884.db2.gz ARKPDSSPTOQELQ-LLVKDONJSA-N 1 2 239.340 2.448 50 0 BEAALO CCOC(=O)C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000061989698 170219347 /nfs/dbraw/zinc/21/93/47/170219347.db2.gz KXYPOEDEFIOOHR-ZDUSSCGKSA-N 1 2 248.326 2.172 50 0 biogenic BEAALO CCOC(=O)C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000061989698 170219349 /nfs/dbraw/zinc/21/93/49/170219349.db2.gz KXYPOEDEFIOOHR-ZDUSSCGKSA-N 1 2 248.326 2.172 50 0 biogenic BEAALO CCOC(=O)C[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000061989697 170219541 /nfs/dbraw/zinc/21/95/41/170219541.db2.gz KXYPOEDEFIOOHR-CYBMUJFWSA-N 1 2 248.326 2.172 50 0 biogenic BEAALO CCOC(=O)C[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000061989697 170219542 /nfs/dbraw/zinc/21/95/42/170219542.db2.gz KXYPOEDEFIOOHR-CYBMUJFWSA-N 1 2 248.326 2.172 50 0 biogenic BEAALO C[N@@H+]1CCc2[nH]c3c(cccc3F)c2C1 ZINC000044901842 173168285 /nfs/dbraw/zinc/16/82/85/173168285.db2.gz FVEVVXZRMUMEOX-UHFFFAOYSA-N 1 2 204.248 2.295 50 0 BEAALO C[N@H+]1CCc2[nH]c3c(cccc3F)c2C1 ZINC000044901842 173168288 /nfs/dbraw/zinc/16/82/88/173168288.db2.gz FVEVVXZRMUMEOX-UHFFFAOYSA-N 1 2 204.248 2.295 50 0 BEAALO COCCOc1ccc(C[NH2+]CC(F)F)cc1 ZINC000328593543 174368390 /nfs/dbraw/zinc/36/83/90/174368390.db2.gz HZSKDSIXCQAOHB-UHFFFAOYSA-N 1 2 245.269 2.067 50 0 BEAALO COc1cc2[nH+]c[nH]c2cc1Br ZINC000074926433 175019041 /nfs/dbraw/zinc/01/90/41/175019041.db2.gz BAAJXZAAZDCTGW-UHFFFAOYSA-N 1 2 227.061 2.334 50 0 BEAALO COc1ccc(C(=O)CCn2cc[nH+]c2)cc1 ZINC000095348301 175054142 /nfs/dbraw/zinc/05/41/42/175054142.db2.gz OXLAPCYQIDDYBW-UHFFFAOYSA-N 1 2 230.267 2.165 50 0 BEAALO COc1ccc(C[N@@H+]2CCO[C@H](C)C2)cc1F ZINC000054172154 175101857 /nfs/dbraw/zinc/10/18/57/175101857.db2.gz LVBXPUAOGCBZSA-SNVBAGLBSA-N 1 2 239.290 2.055 50 0 BEAALO COc1ccc(C[N@H+]2CCO[C@H](C)C2)cc1F ZINC000054172154 175101858 /nfs/dbraw/zinc/10/18/58/175101858.db2.gz LVBXPUAOGCBZSA-SNVBAGLBSA-N 1 2 239.290 2.055 50 0 BEAALO COc1ccc(Nc2[nH+]cccc2N)cc1 ZINC000015830922 175156611 /nfs/dbraw/zinc/15/66/11/175156611.db2.gz GAKVHRACPVAOAC-UHFFFAOYSA-N 1 2 215.256 2.416 50 0 BEAALO COc1ccc([C@H]([NH3+])C(=O)OC(C)(C)C)cc1 ZINC000025665301 175190935 /nfs/dbraw/zinc/19/09/35/175190935.db2.gz HHLVYXCZQVDRKB-NSHDSACASA-N 1 2 237.299 2.037 50 0 BEAALO COc1ccc2cc3c([nH+]c2c1)NCC3 ZINC000011847799 175225329 /nfs/dbraw/zinc/22/53/29/175225329.db2.gz RXPJQHXCCTXKCT-UHFFFAOYSA-N 1 2 200.241 2.211 50 0 BEAALO COc1ccc[nH+]c1NCc1ccccn1 ZINC000095978142 175357349 /nfs/dbraw/zinc/35/73/49/175357349.db2.gz LSIHKCRMVZINQZ-UHFFFAOYSA-N 1 2 215.256 2.097 50 0 BEAALO COc1cc[nH+]c(CN(C)Cc2cc(C)on2)c1 ZINC000106933514 175358629 /nfs/dbraw/zinc/35/86/29/175358629.db2.gz WVIIKZKEOKHWLU-UHFFFAOYSA-N 1 2 247.298 2.019 50 0 BEAALO CSCCC[N@@H+]1CCC[C@H]1c1noc(C)n1 ZINC000076047169 175482460 /nfs/dbraw/zinc/48/24/60/175482460.db2.gz FFOQFAGJABFGCT-JTQLQIEISA-N 1 2 241.360 2.268 50 0 BEAALO CSCCC[N@H+]1CCC[C@H]1c1noc(C)n1 ZINC000076047169 175482461 /nfs/dbraw/zinc/48/24/61/175482461.db2.gz FFOQFAGJABFGCT-JTQLQIEISA-N 1 2 241.360 2.268 50 0 BEAALO C[C@@H]1CC[N@H+](Cc2ccccc2)CC1=O ZINC000038847047 176176160 /nfs/dbraw/zinc/17/61/60/176176160.db2.gz BSBVJNUGGBQEPO-LLVKDONJSA-N 1 2 203.285 2.098 50 0 BEAALO C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1=O ZINC000038847047 176176161 /nfs/dbraw/zinc/17/61/61/176176161.db2.gz BSBVJNUGGBQEPO-LLVKDONJSA-N 1 2 203.285 2.098 50 0 BEAALO C[C@H]1C(=O)CCC[N@H+]1Cc1ccccc1 ZINC000068592826 177056353 /nfs/dbraw/zinc/05/63/53/177056353.db2.gz WYHHURGFXKJVKA-NSHDSACASA-N 1 2 203.285 2.240 50 0 BEAALO C[C@H]1C(=O)CCC[N@@H+]1Cc1ccccc1 ZINC000068592826 177056354 /nfs/dbraw/zinc/05/63/54/177056354.db2.gz WYHHURGFXKJVKA-NSHDSACASA-N 1 2 203.285 2.240 50 0 BEAALO C[C@H]1CCC[C@H](C)[NH+]1Cn1ncn(C)c1=S ZINC000003276957 177132202 /nfs/dbraw/zinc/13/22/02/177132202.db2.gz TXDUKDIGBMQASO-UWVGGRQHSA-N 1 2 240.376 2.171 50 0 BEAALO C[C@H]1C[N@H+](Cc2cncs2)C(C)(C)CO1 ZINC000097139475 177269208 /nfs/dbraw/zinc/26/92/08/177269208.db2.gz YUCVMCRUUJAJJV-VIFPVBQESA-N 1 2 226.345 2.142 50 0 BEAALO C[C@H]1C[N@@H+](Cc2cncs2)C(C)(C)CO1 ZINC000097139475 177269209 /nfs/dbraw/zinc/26/92/09/177269209.db2.gz YUCVMCRUUJAJJV-VIFPVBQESA-N 1 2 226.345 2.142 50 0 BEAALO C[C@H]1C[NH+](Cc2cscn2)C[C@H](C)S1 ZINC000098015858 177271084 /nfs/dbraw/zinc/27/10/84/177271084.db2.gz GTUHFJUZVODZDL-IUCAKERBSA-N 1 2 228.386 2.469 50 0 BEAALO CC[C@@]1(CO)CCCN(c2cc[nH+]cc2F)C1 ZINC000092106967 488081786 /nfs/dbraw/zinc/08/17/86/488081786.db2.gz ALIXLWFJYRSGBC-CYBMUJFWSA-N 1 2 238.306 2.210 50 0 BEAALO CCC1(CC)C[N@H+](Cc2cnc(C)cn2)CCO1 ZINC000670441042 487489169 /nfs/dbraw/zinc/48/91/69/487489169.db2.gz CWIBDMLMTANOHP-UHFFFAOYSA-N 1 2 249.358 2.176 50 0 BEAALO CCC1(CC)C[N@@H+](Cc2cnc(C)cn2)CCO1 ZINC000670441042 487489172 /nfs/dbraw/zinc/48/91/72/487489172.db2.gz CWIBDMLMTANOHP-UHFFFAOYSA-N 1 2 249.358 2.176 50 0 BEAALO Cc1cnc(C[N@@H+]2CCO[C@H](CC(C)C)C2)cn1 ZINC000670458235 487510712 /nfs/dbraw/zinc/51/07/12/487510712.db2.gz OVJQWQVWFIABAQ-CQSZACIVSA-N 1 2 249.358 2.032 50 0 BEAALO Cc1cnc(C[N@H+]2CCO[C@H](CC(C)C)C2)cn1 ZINC000670458235 487510715 /nfs/dbraw/zinc/51/07/15/487510715.db2.gz OVJQWQVWFIABAQ-CQSZACIVSA-N 1 2 249.358 2.032 50 0 BEAALO CCc1cc(NC)nc(-c2ccncc2)[nH+]1 ZINC000050850882 488183651 /nfs/dbraw/zinc/18/36/51/488183651.db2.gz FLYKHRISGRQAEL-UHFFFAOYSA-N 1 2 214.272 2.143 50 0 BEAALO Cn1cc[nH+]c1-c1ccc(O[C@@H]2CCOC2)cc1 ZINC000871596260 589771439 /nfs/dbraw/zinc/77/14/39/589771439.db2.gz AVGZHGUVCILLEK-CYBMUJFWSA-N 1 2 244.294 2.255 50 0 BEAALO