smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc([C@@H](C)[N@@H+](C)C[C@H](O)C2CC2)c1 ZINC000160829638 538913021 /nfs/dbraw/zinc/91/30/21/538913021.db2.gz MJGKXGADQDOLLC-ABAIWWIYSA-N 1 1 249.354 2.459 20 70 BEIDMO Cc1noc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)n1 ZINC000159585848 136214490 /nfs/dbraw/zinc/21/44/90/136214490.db2.gz RABNZBMIQCZBBB-QWRGUYRKSA-N 1 1 221.304 2.143 20 70 BEIDMO CCCn1c(C)nnc1C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000160605504 323073682 /nfs/dbraw/zinc/07/36/82/323073682.db2.gz ARGPDIJNTXYZQJ-QWRGUYRKSA-N 1 1 236.363 2.227 20 70 BEIDMO COCC[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159729737 345508568 /nfs/dbraw/zinc/50/85/68/345508568.db2.gz UUJVCFPZWATFGD-CYBMUJFWSA-N 1 1 220.316 2.173 20 70 BEIDMO CCC(C)(C)C[NH2+]CCNC(C)(C)C ZINC000161450465 346204692 /nfs/dbraw/zinc/20/46/92/346204692.db2.gz IKQMYZGMOSWTJQ-UHFFFAOYSA-N 1 1 200.370 2.400 20 70 BEIDMO CCC(C)(C)CNCC[NH2+]C(C)(C)C ZINC000161450465 346204695 /nfs/dbraw/zinc/20/46/95/346204695.db2.gz IKQMYZGMOSWTJQ-UHFFFAOYSA-N 1 1 200.370 2.400 20 70 BEIDMO CCc1cnc(C[N@H+](C)C[C@@](C)(O)CC)s1 ZINC000161386048 346486870 /nfs/dbraw/zinc/48/68/70/346486870.db2.gz OFAQMQGCHCZXEL-LBPRGKRZSA-N 1 1 242.388 2.298 20 70 BEIDMO CCc1cnc(C[N@@H+](C)C[C@@](C)(O)CC)s1 ZINC000161386048 346486873 /nfs/dbraw/zinc/48/68/73/346486873.db2.gz OFAQMQGCHCZXEL-LBPRGKRZSA-N 1 1 242.388 2.298 20 70 BEIDMO CCC[N@H+]1CCCN(C(=O)CC(C)(C)C)CC1 ZINC000160364723 347700511 /nfs/dbraw/zinc/70/05/11/347700511.db2.gz IBMGTJRAKNBYBK-UHFFFAOYSA-N 1 1 240.391 2.367 20 70 BEIDMO CCOC[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000161186767 349391234 /nfs/dbraw/zinc/39/12/34/349391234.db2.gz OCMNTTUSPKLXKG-BDAKNGLRSA-N 1 1 214.334 2.219 20 70 BEIDMO CCc1nnc(C[N@H+]2C[C@@H](C)[C@H]3CCCC[C@@H]32)[nH]1 ZINC000161232997 349404800 /nfs/dbraw/zinc/40/48/00/349404800.db2.gz YNPWIRTWCNVAQD-UTUOFQBUSA-N 1 1 248.374 2.378 20 70 BEIDMO C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000218450617 350094277 /nfs/dbraw/zinc/09/42/77/350094277.db2.gz YNWOKELNNHMNAQ-RWMBFGLXSA-N 1 1 210.365 2.106 20 70 BEIDMO CCOCCC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000159433546 350143864 /nfs/dbraw/zinc/14/38/64/350143864.db2.gz FEQZPIRLYUQIQD-GFCCVEGCSA-N 1 1 237.347 2.016 20 70 BEIDMO CCOCCC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000159433546 350143867 /nfs/dbraw/zinc/14/38/67/350143867.db2.gz FEQZPIRLYUQIQD-GFCCVEGCSA-N 1 1 237.347 2.016 20 70 BEIDMO CCOCCC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000159433546 350143873 /nfs/dbraw/zinc/14/38/73/350143873.db2.gz FEQZPIRLYUQIQD-GFCCVEGCSA-N 1 1 237.347 2.016 20 70 BEIDMO CC(C)COCC[NH2+][C@@H](C)c1cscn1 ZINC000161175256 538110711 /nfs/dbraw/zinc/11/07/11/538110711.db2.gz GWPUPGHNRGOXLX-JTQLQIEISA-N 1 1 228.361 2.466 20 70 BEIDMO C[C@@H](Nc1cc[nH+]c(N(C)C)n1)C1CCC1 ZINC000160064613 538111523 /nfs/dbraw/zinc/11/15/23/538111523.db2.gz YRMRUEFTMPXOSH-SECBINFHSA-N 1 1 220.320 2.143 20 70 BEIDMO CCCC[C@H](C(=O)OC)[N@H+]1CCC[C@@H]1C ZINC000160796129 361328630 /nfs/dbraw/zinc/32/86/30/361328630.db2.gz HHMRTUCPBXYVNL-WDEREUQCSA-N 1 1 213.321 2.203 20 70 BEIDMO C[C@H](O)C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000159538587 384336859 /nfs/dbraw/zinc/33/68/59/384336859.db2.gz CSADSUUKONBMHO-SMDDNHRTSA-N 1 1 219.328 2.377 20 70 BEIDMO Cc1n[nH]cc1C[N@@H+](C)Cc1cccc(F)c1 ZINC000160473166 384415069 /nfs/dbraw/zinc/41/50/69/384415069.db2.gz UIIQJDQVHLVWEW-UHFFFAOYSA-N 1 1 233.290 2.489 20 70 BEIDMO Cc1n[nH]cc1C[N@H+](C)Cc1cccc(F)c1 ZINC000160473166 384415075 /nfs/dbraw/zinc/41/50/75/384415075.db2.gz UIIQJDQVHLVWEW-UHFFFAOYSA-N 1 1 233.290 2.489 20 70 BEIDMO C[N@@H+](CCCC(=O)c1ccccc1)[C@H]1CCOC1 ZINC000160047012 384381696 /nfs/dbraw/zinc/38/16/96/384381696.db2.gz KLQWWZAKHWBCBQ-AWEZNQCLSA-N 1 1 247.338 2.370 20 70 BEIDMO CC(C)c1noc(Cn2c[nH+]c3c2CCCC3)n1 ZINC000160720383 384431408 /nfs/dbraw/zinc/43/14/08/384431408.db2.gz SABVIFGUTNCILA-UHFFFAOYSA-N 1 1 246.314 2.317 20 70 BEIDMO CCCC[C@@H](C(=O)OC)[N@@H+](C)CC1CC1 ZINC000160797128 384835783 /nfs/dbraw/zinc/83/57/83/384835783.db2.gz QQNPTAGHVJFESR-NSHDSACASA-N 1 1 213.321 2.060 20 70 BEIDMO C[C@H]1SCC[N@@H+](Cc2cnc(N)s2)[C@H]1C ZINC000161287079 385657013 /nfs/dbraw/zinc/65/70/13/385657013.db2.gz WNMWYWUSLQKLDE-JGVFFNPUSA-N 1 1 243.401 2.051 20 70 BEIDMO CCc1nnc(C[N@@H+]2CC[C@@]3(CC[C@H](C)C3)C2)[nH]1 ZINC000160763482 385716892 /nfs/dbraw/zinc/71/68/92/385716892.db2.gz GGSUHXDMERUXEP-SMDDNHRTSA-N 1 1 248.374 2.379 20 70 BEIDMO CCc1nnc(C[N@H+]2CC[C@@]3(CC[C@H](C)C3)C2)[nH]1 ZINC000160763482 385716897 /nfs/dbraw/zinc/71/68/97/385716897.db2.gz GGSUHXDMERUXEP-SMDDNHRTSA-N 1 1 248.374 2.379 20 70 BEIDMO COc1ccc(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cn1 ZINC000217903787 134250808 /nfs/dbraw/zinc/25/08/08/134250808.db2.gz KYXPJSARERREHK-DMDPSCGWSA-N 1 1 249.358 2.231 20 70 BEIDMO C[C@@H](N)C[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000218296412 411773405 /nfs/dbraw/zinc/77/34/05/411773405.db2.gz ABVMWXJPTFRJHL-ZJUUUORDSA-N 1 1 226.751 2.208 20 70 BEIDMO CC[C@H](c1ccccc1)[N@@H+](C)C[C@@H](C)O ZINC000159367010 171598716 /nfs/dbraw/zinc/59/87/16/171598716.db2.gz RRHSSXHJWHVFQX-DGCLKSJQSA-N 1 1 207.317 2.450 20 70 BEIDMO COCCCNc1cc[nH+]cc1Br ZINC000159814413 174251952 /nfs/dbraw/zinc/25/19/52/174251952.db2.gz QJOMPWLAFSUVGI-UHFFFAOYSA-N 1 1 245.120 2.293 20 70 BEIDMO Cc1ccc(C[N@H+]2CCS[C@H](C)C2)nc1 ZINC000159841942 323050552 /nfs/dbraw/zinc/05/05/52/323050552.db2.gz LPBAAQBCCSHRCX-LLVKDONJSA-N 1 1 222.357 2.327 20 70 BEIDMO CCCNC(=O)[C@@H](C)[N@@H+](CC)C[C@@H](C)CC ZINC000160522474 323070087 /nfs/dbraw/zinc/07/00/87/323070087.db2.gz GASZUZHTCHFXIF-NWDGAFQWSA-N 1 1 228.380 2.269 20 70 BEIDMO CCCC[C@@H]([NH2+][C@@H](C)C(C)C)C(=O)OC ZINC000218057293 534937558 /nfs/dbraw/zinc/93/75/58/534937558.db2.gz YQRWUJMGTKGWGQ-WDEREUQCSA-N 1 1 215.337 2.352 20 70 BEIDMO CC(C)COCC[NH2+][C@H](C)c1cscn1 ZINC000161175382 538915009 /nfs/dbraw/zinc/91/50/09/538915009.db2.gz GWPUPGHNRGOXLX-SNVBAGLBSA-N 1 1 228.361 2.466 20 70 BEIDMO Cc1cc(Cn2c[nH+]c3c2CCCC3)on1 ZINC000160725285 178074260 /nfs/dbraw/zinc/07/42/60/178074260.db2.gz GVRAFZQNUWNIMO-UHFFFAOYSA-N 1 1 217.272 2.107 20 70 BEIDMO Cc1cc(N[C@H](CO)CC(C)(C)C)nc(C)[nH+]1 ZINC000161423682 178187062 /nfs/dbraw/zinc/18/70/62/178187062.db2.gz HPTAIZSYEXVYAF-NSHDSACASA-N 1 1 237.347 2.302 20 70 BEIDMO Cc1cc[nH+]c(N2C[C@H](C)OC(C)(C)C2)c1 ZINC000161437596 398282254 /nfs/dbraw/zinc/28/22/54/398282254.db2.gz UTCBBBBRQGWMEG-NSHDSACASA-N 1 1 220.316 2.394 20 70 BEIDMO COc1cccc([C@H](C)[N@@H+](C)C[C@@H](C)O)c1 ZINC000159510186 345439365 /nfs/dbraw/zinc/43/93/65/345439365.db2.gz BADPSGZHPLRHBC-MNOVXSKESA-N 1 1 223.316 2.069 20 70 BEIDMO Cc1nnc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)o1 ZINC000159623417 345449704 /nfs/dbraw/zinc/44/97/04/345449704.db2.gz UUCRGFVBOXKCFV-QWRGUYRKSA-N 1 1 221.304 2.143 20 70 BEIDMO CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1cnccn1 ZINC000161179566 349385347 /nfs/dbraw/zinc/38/53/47/349385347.db2.gz YKHNEDCWEBYWAH-QWHCGFSZSA-N 1 1 248.374 2.002 20 70 BEIDMO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1cnccn1 ZINC000161179566 349385349 /nfs/dbraw/zinc/38/53/49/349385349.db2.gz YKHNEDCWEBYWAH-QWHCGFSZSA-N 1 1 248.374 2.002 20 70 BEIDMO CC(C)C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161395440 349428621 /nfs/dbraw/zinc/42/86/21/349428621.db2.gz DEWBUTGVGKGNGR-LBPRGKRZSA-N 1 1 248.374 2.060 20 70 BEIDMO CCOCCC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000159433400 350143735 /nfs/dbraw/zinc/14/37/35/350143735.db2.gz FEQZPIRLYUQIQD-LBPRGKRZSA-N 1 1 237.347 2.016 20 70 BEIDMO CCOCCC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000159433400 350143738 /nfs/dbraw/zinc/14/37/38/350143738.db2.gz FEQZPIRLYUQIQD-LBPRGKRZSA-N 1 1 237.347 2.016 20 70 BEIDMO CCOCCC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000159433400 350143743 /nfs/dbraw/zinc/14/37/43/350143743.db2.gz FEQZPIRLYUQIQD-LBPRGKRZSA-N 1 1 237.347 2.016 20 70 BEIDMO CC(C)=CCN1CCN(c2cc[nH+]cc2)CC1 ZINC000161351301 538111596 /nfs/dbraw/zinc/11/15/96/538111596.db2.gz XHHKXEVLXHVNFI-UHFFFAOYSA-N 1 1 231.343 2.170 20 70 BEIDMO C[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@H](C)C1 ZINC000217728906 134250446 /nfs/dbraw/zinc/25/04/46/134250446.db2.gz RUDIPSKEEWHZES-NXEZZACHSA-N 1 1 213.321 2.058 20 70 BEIDMO CC[C@H]1CCC[N@@H+](CCn2ccnc2)C1 ZINC000159722294 384351155 /nfs/dbraw/zinc/35/11/55/384351155.db2.gz UGZDMSKAZIVUNB-LBPRGKRZSA-N 1 1 207.321 2.005 20 70 BEIDMO Cc1ccc(CC[N@H+]2CCCC[C@@H]2CO)cc1 ZINC000159851505 384365822 /nfs/dbraw/zinc/36/58/22/384365822.db2.gz OYBLINXUCLOGST-OAHLLOKOSA-N 1 1 233.355 2.384 20 70 BEIDMO CC[N@@H+](CCCCOC)CCc1nccs1 ZINC000159426459 384330660 /nfs/dbraw/zinc/33/06/60/384330660.db2.gz YFOWQOLIEOZPIF-UHFFFAOYSA-N 1 1 242.388 2.434 20 70 BEIDMO C[C@H](O)C[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000159505512 384334364 /nfs/dbraw/zinc/33/43/64/384334364.db2.gz GAGGATKOUBUHCV-IUCAKERBSA-N 1 1 229.270 2.338 20 70 BEIDMO COC(C[N@H+]1CCC[C@H]1c1ccccc1)OC ZINC000160356461 384402506 /nfs/dbraw/zinc/40/25/06/384402506.db2.gz QWTIVEKDCJGFGG-ZDUSSCGKSA-N 1 1 235.327 2.442 20 70 BEIDMO Cc1nn(C)cc1CNc1cc(C)cc[nH+]1 ZINC000161112236 384464729 /nfs/dbraw/zinc/46/47/29/384464729.db2.gz KOHDLHSMGLJSPL-UHFFFAOYSA-N 1 1 216.288 2.044 20 70 BEIDMO CC[C@](C)(O)C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000161416951 384487197 /nfs/dbraw/zinc/48/71/97/384487197.db2.gz HHESSUMFCYDCRN-LBPRGKRZSA-N 1 1 242.750 2.328 20 70 BEIDMO C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000217724597 388570729 /nfs/dbraw/zinc/57/07/29/388570729.db2.gz XGCZQVMWSYZSCZ-GHMZBOCLSA-N 1 1 227.348 2.449 20 70 BEIDMO CC(C)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000217915366 134250868 /nfs/dbraw/zinc/25/08/68/134250868.db2.gz ZFIXXZSHKWLXSS-RWMBFGLXSA-N 1 1 212.381 2.351 20 70 BEIDMO CC(C)CC[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000217915366 134250869 /nfs/dbraw/zinc/25/08/69/134250869.db2.gz ZFIXXZSHKWLXSS-RWMBFGLXSA-N 1 1 212.381 2.351 20 70 BEIDMO CCc1[nH+]ccn1C[C@H]1CCC(C)(C)O1 ZINC000161036532 172028258 /nfs/dbraw/zinc/02/82/58/172028258.db2.gz JMPAVQHALZECQP-SNVBAGLBSA-N 1 1 208.305 2.403 20 70 BEIDMO CCc1noc(C)c1C[N@H+]1CCCSCC1 ZINC000161487583 172074675 /nfs/dbraw/zinc/07/46/75/172074675.db2.gz DIKFBKTYDCDQTL-UHFFFAOYSA-N 1 1 240.372 2.484 20 70 BEIDMO C[C@H]1CC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000159822494 177163624 /nfs/dbraw/zinc/16/36/24/177163624.db2.gz LVZKDJMRQADJPO-VIFPVBQESA-N 1 1 209.264 2.373 20 70 BEIDMO CC[C@@H](O)C[N@@H+](CCc1nccs1)C(C)C ZINC000159885296 323051972 /nfs/dbraw/zinc/05/19/72/323051972.db2.gz OTGCVQJNAMOXSK-LLVKDONJSA-N 1 1 242.388 2.167 20 70 BEIDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C1CCC1 ZINC000160514479 323069934 /nfs/dbraw/zinc/06/99/34/323069934.db2.gz RVNDWMIFEKPFSM-CYBMUJFWSA-N 1 1 238.375 2.023 20 70 BEIDMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)C(=O)NC1CC1 ZINC000160559235 323071267 /nfs/dbraw/zinc/07/12/67/323071267.db2.gz CVHIYLCEMXJTEC-QWRGUYRKSA-N 1 1 226.364 2.022 20 70 BEIDMO CC[NH+](CC)Cc1nnc(-c2ccccc2)n1C ZINC000160708836 323103803 /nfs/dbraw/zinc/10/38/03/323103803.db2.gz UQTNXTAWMPOPEJ-UHFFFAOYSA-N 1 1 244.342 2.324 20 70 BEIDMO CCCn1c(C)nnc1C[N@H+]1CC[C@H](CC)C1 ZINC000160941945 323139687 /nfs/dbraw/zinc/13/96/87/323139687.db2.gz ABOUCLSILMEQHW-LBPRGKRZSA-N 1 1 236.363 2.228 20 70 BEIDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(CO)o1 ZINC000161165950 323149632 /nfs/dbraw/zinc/14/96/32/323149632.db2.gz QDCSIIAXJWKJAN-SNVBAGLBSA-N 1 1 209.289 2.146 20 70 BEIDMO C[N@@H+](C/C=C\c1ccccc1)CC1CC(O)C1 ZINC000217396550 490439506 /nfs/dbraw/zinc/43/95/06/490439506.db2.gz VOKITHIYTCGYRY-YVMONPNESA-N 1 1 231.339 2.403 20 70 BEIDMO CC(C)[C@@H](C)[N@@H+](C)C[C@@H](O)C(C)(C)C ZINC000216932848 535160050 /nfs/dbraw/zinc/16/00/50/535160050.db2.gz LRWXCGRPLIQRDT-GHMZBOCLSA-N 1 1 201.354 2.370 20 70 BEIDMO CCOC(=O)CC[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000217934085 535646533 /nfs/dbraw/zinc/64/65/33/535646533.db2.gz HFXBGDQQGLAQGM-NEPJUHHUSA-N 1 1 227.348 2.450 20 70 BEIDMO [NH3+]C[C@H]1CCCN(C/C=C\c2ccccc2)C1 ZINC000217542614 592125314 /nfs/dbraw/zinc/12/53/14/592125314.db2.gz DZPCSYAGAXXUTP-UFRMUOTOSA-N 1 1 230.355 2.371 20 70 BEIDMO CSCCN(C)CCC[NH+]1CCCCC1 ZINC000161415250 349441943 /nfs/dbraw/zinc/44/19/43/349441943.db2.gz QDCQBMOVBQOPLO-UHFFFAOYSA-N 1 1 230.421 2.157 20 70 BEIDMO CC[N@@H+](Cc1ccoc1)C[C@](C)(O)CC ZINC000160836325 538912750 /nfs/dbraw/zinc/91/27/50/538912750.db2.gz HWAYKBAMHZZVPN-GFCCVEGCSA-N 1 1 211.305 2.263 20 70 BEIDMO C[N@@H+](CCCCS(C)(=O)=O)C1CCCCC1 ZINC000161079924 538914114 /nfs/dbraw/zinc/91/41/14/538914114.db2.gz YXRNVOLVPDVTMD-UHFFFAOYSA-N 1 1 247.404 2.076 20 70 BEIDMO CCCC[C@@H]([NH2+][C@H](C)C(C)C)C(=O)OC ZINC000218057408 534937658 /nfs/dbraw/zinc/93/76/58/534937658.db2.gz YQRWUJMGTKGWGQ-GHMZBOCLSA-N 1 1 215.337 2.352 20 70 BEIDMO CSCC[C@H](C)[N@@H+](C)Cc1cnc(N)s1 ZINC000161289467 346168023 /nfs/dbraw/zinc/16/80/23/346168023.db2.gz BBSRFUBHQVZVSA-QMMMGPOBSA-N 1 1 245.417 2.299 20 70 BEIDMO Cc1ccccc1[C@H](C)[N@H+](C)C[C@@H](C)O ZINC000159376200 179334570 /nfs/dbraw/zinc/33/45/70/179334570.db2.gz YPBXWKCPFXEZMY-NEPJUHHUSA-N 1 1 207.317 2.369 20 70 BEIDMO c1[nH+]c2c(n1CC1CCOCC1)CCCC2 ZINC000160723850 349313480 /nfs/dbraw/zinc/31/34/80/349313480.db2.gz FLYMWKOGPBMYCQ-UHFFFAOYSA-N 1 1 220.316 2.189 20 70 BEIDMO COC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000218541612 350095751 /nfs/dbraw/zinc/09/57/51/350095751.db2.gz LVPNNKLBXGKQGJ-CYBMUJFWSA-N 1 1 205.301 2.155 20 70 BEIDMO Cc1nccn1CCC[N@H+]1CCCSCC1 ZINC000161476768 180242164 /nfs/dbraw/zinc/24/21/64/180242164.db2.gz YUDWVOKTRBFPAQ-UHFFFAOYSA-N 1 1 239.388 2.021 20 70 BEIDMO CCn1ccnc1C[N@@H+](C)[C@@H](C)C1CC1 ZINC000160854297 358969367 /nfs/dbraw/zinc/96/93/67/358969367.db2.gz CVVLKOMFDHNEPM-JTQLQIEISA-N 1 1 207.321 2.133 20 70 BEIDMO CC[N@@H+](CCn1ccnc1)C1CCCC1 ZINC000159750945 384355214 /nfs/dbraw/zinc/35/52/14/384355214.db2.gz RNOXKMGIEGXYGJ-UHFFFAOYSA-N 1 1 207.321 2.148 20 70 BEIDMO Cc1noc(C)c1Cn1c[nH+]c2c1CCCC2 ZINC000160727618 384431176 /nfs/dbraw/zinc/43/11/76/384431176.db2.gz ISFXWFFYMLHZNT-UHFFFAOYSA-N 1 1 231.299 2.415 20 70 BEIDMO CC[C@](C)(O)C[N@H+]1CCS[C@H](C(C)C)C1 ZINC000161325475 384969612 /nfs/dbraw/zinc/96/96/12/384969612.db2.gz QWAOENLXTYWYLC-RYUDHWBXSA-N 1 1 231.405 2.221 20 70 BEIDMO CCOCCN(CC)CCC[NH+]1CCCCC1 ZINC000161015754 385065488 /nfs/dbraw/zinc/06/54/88/385065488.db2.gz DWOKZCXBMLJVEZ-UHFFFAOYSA-N 1 1 242.407 2.221 20 70 BEIDMO CCOCC[N@H+](CC)CCCN1CCCCC1 ZINC000161015754 385065492 /nfs/dbraw/zinc/06/54/92/385065492.db2.gz DWOKZCXBMLJVEZ-UHFFFAOYSA-N 1 1 242.407 2.221 20 70 BEIDMO CCOCC[N@@H+](CC)CCCN1CCCCC1 ZINC000161015754 385065497 /nfs/dbraw/zinc/06/54/97/385065497.db2.gz DWOKZCXBMLJVEZ-UHFFFAOYSA-N 1 1 242.407 2.221 20 70 BEIDMO CCOCCC[N@H+](C)Cc1cscn1 ZINC000159645340 388024799 /nfs/dbraw/zinc/02/47/99/388024799.db2.gz JASOMJBUHRMZPG-UHFFFAOYSA-N 1 1 214.334 2.002 20 70 BEIDMO CCOCCC[N@@H+](C)Cc1cscn1 ZINC000159645340 388024805 /nfs/dbraw/zinc/02/48/05/388024805.db2.gz JASOMJBUHRMZPG-UHFFFAOYSA-N 1 1 214.334 2.002 20 70 BEIDMO COC(=O)C(C)(C)[NH2+]CCC1CCCC1 ZINC000159529371 388019524 /nfs/dbraw/zinc/01/95/24/388019524.db2.gz BWXRHMQURLOBTG-UHFFFAOYSA-N 1 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CC1(C)CCC(C[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000160336280 323065115 /nfs/dbraw/zinc/06/51/15/323065115.db2.gz YJVJYXTZVVVDEV-GFCCVEGCSA-N 1 1 238.375 2.153 20 70 BEIDMO Cn1cnnc1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000160738573 323104298 /nfs/dbraw/zinc/10/42/98/323104298.db2.gz FUGGBQBXWFHWRF-ZDUSSCGKSA-N 1 1 242.326 2.152 20 70 BEIDMO Cn1cnnc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000160738573 323104299 /nfs/dbraw/zinc/10/42/99/323104299.db2.gz FUGGBQBXWFHWRF-ZDUSSCGKSA-N 1 1 242.326 2.152 20 70 BEIDMO CCCC[C@H]([NH2+][C@H](C)C(C)C)C(=O)OC ZINC000218057485 535068138 /nfs/dbraw/zinc/06/81/38/535068138.db2.gz YQRWUJMGTKGWGQ-MNOVXSKESA-N 1 1 215.337 2.352 20 70 BEIDMO CC[C@@](C)(O)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000161452531 349452001 /nfs/dbraw/zinc/45/20/01/349452001.db2.gz IVPNHRHASFGJLV-FRRDWIJNSA-N 1 1 211.349 2.269 20 70 BEIDMO Cc1cc(N[C@@H]2CCO[C@@H](C3CC3)C2)nc(C)[nH+]1 ZINC000160276342 178182524 /nfs/dbraw/zinc/18/25/24/178182524.db2.gz NFZJSPRKMZCTPC-CHWSQXEVSA-N 1 1 247.342 2.463 20 70 BEIDMO Cc1cc(N[C@H]2CCO[C@H](C3CC3)C2)nc(C)[nH+]1 ZINC000160276212 178190410 /nfs/dbraw/zinc/19/04/10/178190410.db2.gz NFZJSPRKMZCTPC-STQMWFEESA-N 1 1 247.342 2.463 20 70 BEIDMO Cc1cc(N[C@H]2CCO[C@@H](C3CC3)C2)nc(C)[nH+]1 ZINC000160276488 178191176 /nfs/dbraw/zinc/19/11/76/178191176.db2.gz NFZJSPRKMZCTPC-QWHCGFSZSA-N 1 1 247.342 2.463 20 70 BEIDMO C[C@@H]1CC[N@@H+](CN2CC(C)(C)OC2=O)C[C@@H]1C ZINC000159920451 323053994 /nfs/dbraw/zinc/05/39/94/323053994.db2.gz MPRGXZNCOPYKDU-MNOVXSKESA-N 1 1 240.347 2.153 20 70 BEIDMO CC[N@@H+](C)CCNC(=O)C1CCC(C)(C)CC1 ZINC000159419968 323075144 /nfs/dbraw/zinc/07/51/44/323075144.db2.gz UPRASVIIOAIITF-UHFFFAOYSA-N 1 1 240.391 2.271 20 70 BEIDMO CC(C)[C@H](N)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000216840477 345744408 /nfs/dbraw/zinc/74/44/08/345744408.db2.gz ZRRMHLIFGIZAHV-DUTNFGBUSA-N 1 1 236.403 2.384 20 70 BEIDMO Cc1ccc(C[N@@H+](C)C[C@H]2CCCOC2)nc1 ZINC000160095477 345797584 /nfs/dbraw/zinc/79/75/84/345797584.db2.gz LWWXSVUHIPQVRA-CYBMUJFWSA-N 1 1 234.343 2.248 20 70 BEIDMO CC[N@@H+](CC(=O)NC(C)(C)C)CC(C)(C)C ZINC000160299107 346360621 /nfs/dbraw/zinc/36/06/21/346360621.db2.gz TZMZPMUJWNHPNL-UHFFFAOYSA-N 1 1 228.380 2.269 20 70 BEIDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CCC1CCCC1 ZINC000160529686 349095443 /nfs/dbraw/zinc/09/54/43/349095443.db2.gz HBIFKVZENMOJQH-AAEUAGOBSA-N 1 1 238.375 2.153 20 70 BEIDMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)C(C)(C)C)C1 ZINC000216870724 134159640 /nfs/dbraw/zinc/15/96/40/134159640.db2.gz PFLAESIFHOKWKB-GRYCIOLGSA-N 1 1 213.365 2.371 20 70 BEIDMO C[N@@H+](Cc1cccc(F)c1)Cc1cncnc1 ZINC000160456072 538884864 /nfs/dbraw/zinc/88/48/64/538884864.db2.gz FSMVBDGSBCEREY-UHFFFAOYSA-N 1 1 231.274 2.248 20 70 BEIDMO C[N@H+](Cc1cccc(F)c1)Cc1cncnc1 ZINC000160456072 538884866 /nfs/dbraw/zinc/88/48/66/538884866.db2.gz FSMVBDGSBCEREY-UHFFFAOYSA-N 1 1 231.274 2.248 20 70 BEIDMO CCC[N@@H+](CCO)Cc1cccc2[nH]ccc21 ZINC000161234229 169167663 /nfs/dbraw/zinc/16/76/63/169167663.db2.gz PSWVTAWBTUEUDZ-UHFFFAOYSA-N 1 1 232.327 2.372 20 70 BEIDMO C[N@@H+](CCn1ccnc1)CC1CCCC1 ZINC000161503681 384498094 /nfs/dbraw/zinc/49/80/94/384498094.db2.gz BYEIJEVWVLMZLT-UHFFFAOYSA-N 1 1 207.321 2.005 20 70 BEIDMO COC(C[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C)OC ZINC000161486915 384494874 /nfs/dbraw/zinc/49/48/74/384494874.db2.gz VJWSJLKWJLBTEK-JSGCOSHPSA-N 1 1 249.354 2.483 20 70 BEIDMO C[N@@H+](CCC1CCCC1)[C@H]1CCCCNC1=O ZINC000160297521 384676580 /nfs/dbraw/zinc/67/65/80/384676580.db2.gz RIGJMMMMJZUFFS-ZDUSSCGKSA-N 1 1 238.375 2.167 20 70 BEIDMO C[C@H]1SCC[N@@H+](Cc2cnc(N)s2)[C@@H]1C ZINC000161286949 385658078 /nfs/dbraw/zinc/65/80/78/385658078.db2.gz WNMWYWUSLQKLDE-HTQZYQBOSA-N 1 1 243.401 2.051 20 70 BEIDMO CC(C)[C@H](C)[N@@H+](C)C[C@@H](O)C(C)(C)C ZINC000216932872 385875321 /nfs/dbraw/zinc/87/53/21/385875321.db2.gz LRWXCGRPLIQRDT-WDEREUQCSA-N 1 1 201.354 2.370 20 70 BEIDMO CCOC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000218485980 388583137 /nfs/dbraw/zinc/58/31/37/388583137.db2.gz BTNBSYWLUHFFTI-GHMZBOCLSA-N 1 1 213.321 2.060 20 70 BEIDMO CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)nc2)[C@H](C)C1 ZINC000161278805 170011231 /nfs/dbraw/zinc/01/12/31/170011231.db2.gz JEIPPBRCHRQRJN-IUODEOHRSA-N 1 1 247.386 2.210 20 70 BEIDMO CCN1CC[C@@H]([NH2+]Cc2ccc(C)nc2)[C@H](C)C1 ZINC000161278805 170011235 /nfs/dbraw/zinc/01/12/35/170011235.db2.gz JEIPPBRCHRQRJN-IUODEOHRSA-N 1 1 247.386 2.210 20 70 BEIDMO CC[C@@](C)(O)C[N@H+]1CCc2ccc(OC)cc2C1 ZINC000160691301 171179327 /nfs/dbraw/zinc/17/93/27/171179327.db2.gz UPOCSJVQQGJWIQ-OAHLLOKOSA-N 1 1 249.354 2.214 20 70 BEIDMO CCCCCSCC[NH+]1CCOCC1 ZINC000159989669 323075357 /nfs/dbraw/zinc/07/53/57/323075357.db2.gz VRTHQESRJRHORU-UHFFFAOYSA-N 1 1 217.378 2.242 20 70 BEIDMO CCn1ccnc1C[N@H+]1CCC[C@H](C)C1 ZINC000160672750 323102490 /nfs/dbraw/zinc/10/24/90/323102490.db2.gz OVUNMLGTYNGZFZ-NSHDSACASA-N 1 1 207.321 2.135 20 70 BEIDMO Cn1nccc1C[N@H+](C)Cc1ccc(F)cc1 ZINC000161148470 323149261 /nfs/dbraw/zinc/14/92/61/323149261.db2.gz UQYOZQVWUGPYQH-UHFFFAOYSA-N 1 1 233.290 2.191 20 70 BEIDMO Cn1nccc1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000161148470 323149262 /nfs/dbraw/zinc/14/92/62/323149262.db2.gz UQYOZQVWUGPYQH-UHFFFAOYSA-N 1 1 233.290 2.191 20 70 BEIDMO CC(C)[N@@H+](C)CCN[C@@H](C)c1cscn1 ZINC000161182728 323150915 /nfs/dbraw/zinc/15/09/15/323150915.db2.gz OVKVFQLKGNAMDD-JTQLQIEISA-N 1 1 227.377 2.134 20 70 BEIDMO CC[N@H+](Cc1cccs1)C[C@@H](C)CO ZINC000160907486 538913197 /nfs/dbraw/zinc/91/31/97/538913197.db2.gz NHSRLAAEQYTKCM-SNVBAGLBSA-N 1 1 213.346 2.198 20 70 BEIDMO Cc1noc(C)c1CC[N@H+]1CCCSCC1 ZINC000161487082 349463779 /nfs/dbraw/zinc/46/37/79/349463779.db2.gz IOOUWSXPYDVJGB-UHFFFAOYSA-N 1 1 240.372 2.273 20 70 BEIDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CCC1CCCC1 ZINC000160529810 136222129 /nfs/dbraw/zinc/22/21/29/136222129.db2.gz HBIFKVZENMOJQH-DGCLKSJQSA-N 1 1 238.375 2.153 20 70 BEIDMO Cc1cc(N[C@@H](CO)CC(C)(C)C)nc(C)[nH+]1 ZINC000161423831 178180943 /nfs/dbraw/zinc/18/09/43/178180943.db2.gz HPTAIZSYEXVYAF-LLVKDONJSA-N 1 1 237.347 2.302 20 70 BEIDMO Cc1nc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)no1 ZINC000159604094 345446086 /nfs/dbraw/zinc/44/60/86/345446086.db2.gz DZMBQCATCJZNBX-QWRGUYRKSA-N 1 1 221.304 2.143 20 70 BEIDMO Cc1nc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)no1 ZINC000159604094 345446088 /nfs/dbraw/zinc/44/60/88/345446088.db2.gz DZMBQCATCJZNBX-QWRGUYRKSA-N 1 1 221.304 2.143 20 70 BEIDMO CC[C@](C)(O)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000161452395 346205961 /nfs/dbraw/zinc/20/59/61/346205961.db2.gz IVPNHRHASFGJLV-XQQFMLRXSA-N 1 1 211.349 2.269 20 70 BEIDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CCC1CCCC1 ZINC000160529945 349090508 /nfs/dbraw/zinc/09/05/08/349090508.db2.gz HBIFKVZENMOJQH-WCQYABFASA-N 1 1 238.375 2.153 20 70 BEIDMO CN1CCC[C@@H](C[N@@H+](C)C2CCCC2)C1 ZINC000161321251 364684165 /nfs/dbraw/zinc/68/41/65/364684165.db2.gz OWAMQNRFBQNQKB-GFCCVEGCSA-N 1 1 210.365 2.203 20 70 BEIDMO C[C@H](Nc1cc[nH+]c(N(C)C)n1)C1CCC1 ZINC000160064460 541495906 /nfs/dbraw/zinc/49/59/06/541495906.db2.gz YRMRUEFTMPXOSH-VIFPVBQESA-N 1 1 220.320 2.143 20 70 BEIDMO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1C=CCCC1 ZINC000161164817 183031873 /nfs/dbraw/zinc/03/18/73/183031873.db2.gz CQQCWEMEPYGNNX-ACJTYDJDSA-N 1 1 207.317 2.083 20 70 BEIDMO c1cn(CC[N@H+]2CC[C@H](c3ccccc3)C2)cn1 ZINC000159783767 384354389 /nfs/dbraw/zinc/35/43/89/384354389.db2.gz KECQYCBUTQAQNZ-HNNXBMFYSA-N 1 1 241.338 2.373 20 70 BEIDMO c1cn(CC[N@H+]2CC[C@@H](c3ccccc3)C2)cn1 ZINC000159783621 384356392 /nfs/dbraw/zinc/35/63/92/384356392.db2.gz KECQYCBUTQAQNZ-OAHLLOKOSA-N 1 1 241.338 2.373 20 70 BEIDMO Cc1ccc(C[N@@H+](C)Cc2c[nH]nc2C)o1 ZINC000160876979 384444052 /nfs/dbraw/zinc/44/40/52/384444052.db2.gz AWOWVEOJIRSBFY-UHFFFAOYSA-N 1 1 219.288 2.252 20 70 BEIDMO Cc1ccc(C[N@H+](C)Cc2c[nH]nc2C)o1 ZINC000160876979 384444056 /nfs/dbraw/zinc/44/40/56/384444056.db2.gz AWOWVEOJIRSBFY-UHFFFAOYSA-N 1 1 219.288 2.252 20 70 BEIDMO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H](CC)C2)n1 ZINC000160819203 384437001 /nfs/dbraw/zinc/43/70/01/384437001.db2.gz FSHVVCJXNSRFMU-LLVKDONJSA-N 1 1 249.358 2.367 20 70 BEIDMO COC(C[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C)OC ZINC000161486673 384495824 /nfs/dbraw/zinc/49/58/24/384495824.db2.gz VJWSJLKWJLBTEK-GXTWGEPZSA-N 1 1 249.354 2.483 20 70 BEIDMO CC[N@H+](CCC(=O)OC)CCC1CCCC1 ZINC000159851595 388035510 /nfs/dbraw/zinc/03/55/10/388035510.db2.gz GNXGOJBMKFAMTL-UHFFFAOYSA-N 1 1 227.348 2.452 20 70 BEIDMO CC(C)S(=O)(=O)CCC[N@H+]1CCCC[C@@H]1C ZINC000160497040 388070383 /nfs/dbraw/zinc/07/03/83/388070383.db2.gz AANOHBVRWCPZOM-LBPRGKRZSA-N 1 1 247.404 2.074 20 70 BEIDMO CC[C@@H](C)C[N@@H+](C)C[C@@H](O)C(C)(C)C ZINC000216913197 134177621 /nfs/dbraw/zinc/17/76/21/134177621.db2.gz GFJIRHHIOIRCIY-GHMZBOCLSA-N 1 1 201.354 2.371 20 70 BEIDMO COc1ccccc1C[N@H+](C)Cc1c[nH]nc1C ZINC000160426454 175324436 /nfs/dbraw/zinc/32/44/36/175324436.db2.gz DIVKMYKRLSLWTN-UHFFFAOYSA-N 1 1 245.326 2.359 20 70 BEIDMO COc1ccccc1C[N@@H+](C)Cc1c[nH]nc1C ZINC000160426454 175324438 /nfs/dbraw/zinc/32/44/38/175324438.db2.gz DIVKMYKRLSLWTN-UHFFFAOYSA-N 1 1 245.326 2.359 20 70 BEIDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(N)c2)C1 ZINC000160517735 177316950 /nfs/dbraw/zinc/31/69/50/177316950.db2.gz FGHFUURMSVFHRF-MNOVXSKESA-N 1 1 204.317 2.499 20 70 BEIDMO CCCCC[N@@H+](Cc1nncn1C)C(C)C ZINC000160772863 323134686 /nfs/dbraw/zinc/13/46/86/323134686.db2.gz NYRYEMPLXDZACW-UHFFFAOYSA-N 1 1 224.352 2.216 20 70 BEIDMO CC(C)[N@@H+](C)CCN[C@H](C)c1cscn1 ZINC000161182831 323150947 /nfs/dbraw/zinc/15/09/47/323150947.db2.gz OVKVFQLKGNAMDD-SNVBAGLBSA-N 1 1 227.377 2.134 20 70 BEIDMO CCCC[C@H]([NH2+][C@@H](C)C(C)C)C(=O)OC ZINC000218057340 535065930 /nfs/dbraw/zinc/06/59/30/535065930.db2.gz YQRWUJMGTKGWGQ-QWRGUYRKSA-N 1 1 215.337 2.352 20 70 BEIDMO CC[N@@H+](CCCCS(C)(=O)=O)C1CCCC1 ZINC000161467978 538915678 /nfs/dbraw/zinc/91/56/78/538915678.db2.gz HHDCQVMOEDNVNC-UHFFFAOYSA-N 1 1 247.404 2.076 20 70 BEIDMO COc1cccc([C@H](C)[N@@H+](C)C[C@H](C)O)c1 ZINC000159510052 345439274 /nfs/dbraw/zinc/43/92/74/345439274.db2.gz BADPSGZHPLRHBC-QWRGUYRKSA-N 1 1 223.316 2.069 20 70 BEIDMO CCc1cnc(C[N@H+](C)C[C@](C)(O)CC)s1 ZINC000161385900 346486755 /nfs/dbraw/zinc/48/67/55/346486755.db2.gz OFAQMQGCHCZXEL-GFCCVEGCSA-N 1 1 242.388 2.298 20 70 BEIDMO CCc1cnc(C[N@@H+](C)C[C@](C)(O)CC)s1 ZINC000161385900 346486762 /nfs/dbraw/zinc/48/67/62/346486762.db2.gz OFAQMQGCHCZXEL-GFCCVEGCSA-N 1 1 242.388 2.298 20 70 BEIDMO CCOC[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000161187135 323151220 /nfs/dbraw/zinc/15/12/20/323151220.db2.gz OCMNTTUSPKLXKG-DTWKUNHWSA-N 1 1 214.334 2.219 20 70 BEIDMO COC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000218541689 350095969 /nfs/dbraw/zinc/09/59/69/350095969.db2.gz LVPNNKLBXGKQGJ-ZDUSSCGKSA-N 1 1 205.301 2.155 20 70 BEIDMO Cc1[nH+]ccn1Cc1noc(-c2ccsc2)n1 ZINC000160630902 180272310 /nfs/dbraw/zinc/27/23/10/180272310.db2.gz ZIFWFENMOOCPEP-UHFFFAOYSA-N 1 1 246.295 2.351 20 70 BEIDMO Cc1ccc(C[N@@H+](C)Cc2cncnc2)cc1 ZINC000160634012 538885861 /nfs/dbraw/zinc/88/58/61/538885861.db2.gz DREBXLJSNJJFQS-UHFFFAOYSA-N 1 1 227.311 2.417 20 70 BEIDMO Cc1ccc(C[N@H+](C)Cc2cncnc2)cc1 ZINC000160634012 538885862 /nfs/dbraw/zinc/88/58/62/538885862.db2.gz DREBXLJSNJJFQS-UHFFFAOYSA-N 1 1 227.311 2.417 20 70 BEIDMO OC[C@H]1CCCC[N@H+]1CCC1CCCC1 ZINC000159947064 361296362 /nfs/dbraw/zinc/29/63/62/361296362.db2.gz FSNVBXRKQWCLBB-CYBMUJFWSA-N 1 1 211.349 2.414 20 70 BEIDMO CCC[C@@H](C)C(=O)N1CCC[N@@H+](CCC)CC1 ZINC000160386863 169348316 /nfs/dbraw/zinc/34/83/16/169348316.db2.gz LLJIXKGCQIETKE-CYBMUJFWSA-N 1 1 240.391 2.367 20 70 BEIDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000159460960 384205168 /nfs/dbraw/zinc/20/51/68/384205168.db2.gz ZDIURVDBDRBVQU-NSHDSACASA-N 1 1 242.363 2.195 20 70 BEIDMO C[C@H](O)C[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000159365857 384324545 /nfs/dbraw/zinc/32/45/45/384324545.db2.gz MYBSREXHRILFPA-UWVGGRQHSA-N 1 1 211.280 2.199 20 70 BEIDMO Cc1nn(C)cc1CNc1ccc(C)c[nH+]1 ZINC000160477368 384416222 /nfs/dbraw/zinc/41/62/22/384416222.db2.gz ZQOVGTZKYLCBAA-UHFFFAOYSA-N 1 1 216.288 2.044 20 70 BEIDMO c1[nH+]c2c(n1Cc1nc(C3CC3)no1)CCCC2 ZINC000160725978 384431691 /nfs/dbraw/zinc/43/16/91/384431691.db2.gz TYFZSMOXIQGORN-UHFFFAOYSA-N 1 1 244.298 2.071 20 70 BEIDMO COC(C[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C)OC ZINC000161128900 384467239 /nfs/dbraw/zinc/46/72/39/384467239.db2.gz GIBINJGIGLOFIE-JSGCOSHPSA-N 1 1 249.354 2.483 20 70 BEIDMO C(C[NH+]1CCCCC1)C[N@H+]1CCCSCC1 ZINC000161460103 387218874 /nfs/dbraw/zinc/21/88/74/387218874.db2.gz HIIXWWPTYSVGAK-UHFFFAOYSA-N 1 1 242.432 2.301 20 70 BEIDMO C(CN1CCCSCC1)C[NH+]1CCCCC1 ZINC000161460103 387218879 /nfs/dbraw/zinc/21/88/79/387218879.db2.gz HIIXWWPTYSVGAK-UHFFFAOYSA-N 1 1 242.432 2.301 20 70 BEIDMO C(CN1CCCCC1)C[N@@H+]1CCCSCC1 ZINC000161460103 387218883 /nfs/dbraw/zinc/21/88/83/387218883.db2.gz HIIXWWPTYSVGAK-UHFFFAOYSA-N 1 1 242.432 2.301 20 70 BEIDMO C(CN1CCCCC1)C[N@H+]1CCCSCC1 ZINC000161460103 387218889 /nfs/dbraw/zinc/21/88/89/387218889.db2.gz HIIXWWPTYSVGAK-UHFFFAOYSA-N 1 1 242.432 2.301 20 70 BEIDMO CCOC(=O)C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000218486057 388583222 /nfs/dbraw/zinc/58/32/22/388583222.db2.gz BTNBSYWLUHFFTI-MNOVXSKESA-N 1 1 213.321 2.060 20 70 BEIDMO COC(=O)[C@@H](C)C[N@@H+](C)[C@@H](C)CC(C)C ZINC000218118363 134251493 /nfs/dbraw/zinc/25/14/93/134251493.db2.gz CETPAMKWORQJIZ-QWRGUYRKSA-N 1 1 215.337 2.162 20 70 BEIDMO CC[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC)cn2)C1 ZINC000160603762 171012536 /nfs/dbraw/zinc/01/25/36/171012536.db2.gz LHOXSKQCVYLWGH-LLVKDONJSA-N 1 1 248.326 2.100 20 70 BEIDMO Cn1cnnc1C[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000160876517 323137722 /nfs/dbraw/zinc/13/77/22/323137722.db2.gz OCEPSTJKWRVUOP-LLVKDONJSA-N 1 1 236.363 2.216 20 70 BEIDMO CC[C@](C)(O)C[N@H+]1CCC2(CCCC2)C1 ZINC000161318430 535844162 /nfs/dbraw/zinc/84/41/62/535844162.db2.gz LFOHKXDVYJSZEE-LBPRGKRZSA-N 1 1 211.349 2.414 20 70 BEIDMO COc1cccc([C@H](C)[N@@H+](C)C[C@H](O)C2CC2)c1 ZINC000160829511 538913073 /nfs/dbraw/zinc/91/30/73/538913073.db2.gz MJGKXGADQDOLLC-NHYWBVRUSA-N 1 1 249.354 2.459 20 70 BEIDMO C[C@@H](CO)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000160910180 538913440 /nfs/dbraw/zinc/91/34/40/538913440.db2.gz CVGSBIXHWPUVDK-ZJUUUORDSA-N 1 1 225.357 2.296 20 70 BEIDMO Cc1noc(C)c1C[N@H+]1CCCSCC1 ZINC000161476186 349458419 /nfs/dbraw/zinc/45/84/19/349458419.db2.gz ONOSJFMJRZMDQM-UHFFFAOYSA-N 1 1 226.345 2.230 20 70 BEIDMO CCC[N@@H+](CCC1CCCC1)CC(=O)N(C)C ZINC000159498468 345438083 /nfs/dbraw/zinc/43/80/83/345438083.db2.gz KFQXKTDPGUREEJ-UHFFFAOYSA-N 1 1 240.391 2.367 20 70 BEIDMO COC(=O)CC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159872233 345576879 /nfs/dbraw/zinc/57/68/79/345576879.db2.gz JOBYGROLACRJMA-ZDUSSCGKSA-N 1 1 248.326 2.090 20 70 BEIDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(CO)o2)C1 ZINC000161296227 346167197 /nfs/dbraw/zinc/16/71/97/346167197.db2.gz DHHLIJIHLWKXAW-NXEZZACHSA-N 1 1 209.289 2.002 20 70 BEIDMO CSCC[C@@H](C)[N@@H+](C)Cc1cnc(N)s1 ZINC000161289595 346167732 /nfs/dbraw/zinc/16/77/32/346167732.db2.gz BBSRFUBHQVZVSA-MRVPVSSYSA-N 1 1 245.417 2.299 20 70 BEIDMO C[N@H+]1CCC[C@@H]1CNC(=O)CCC(C)(C)C ZINC000160129178 346442008 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/nfs/dbraw/zinc/32/57/56/384325756.db2.gz KDEQFEWQHRGERQ-UHFFFAOYSA-N 1 1 237.328 2.196 20 70 BEIDMO CC[N@@H+](CCc1nccs1)Cc1ccon1 ZINC000159380156 384325761 /nfs/dbraw/zinc/32/57/61/384325761.db2.gz KDEQFEWQHRGERQ-UHFFFAOYSA-N 1 1 237.328 2.196 20 70 BEIDMO CCc1cc(=O)[nH]c(C[NH+]2CCC(CC)CC2)n1 ZINC000160938739 384448733 /nfs/dbraw/zinc/44/87/33/384448733.db2.gz LDSWSAOQGWVAIM-UHFFFAOYSA-N 1 1 249.358 2.367 20 70 BEIDMO COC(=O)C[N@@H+](CCC1CCCC1)C(C)C ZINC000159601652 384452857 /nfs/dbraw/zinc/45/28/57/384452857.db2.gz BZOPXZPROSYILS-UHFFFAOYSA-N 1 1 227.348 2.450 20 70 BEIDMO COC(C[N@@H+](C)[C@H]1CCc2ccccc2C1)OC ZINC000161118093 384463486 /nfs/dbraw/zinc/46/34/86/384463486.db2.gz YWOCMRCDHREVLL-AWEZNQCLSA-N 1 1 249.354 2.095 20 70 BEIDMO Cc1ccc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000161289836 384478887 /nfs/dbraw/zinc/47/88/87/384478887.db2.gz BUWVMTGGUTXDLX-CYBMUJFWSA-N 1 1 236.359 2.362 20 70 BEIDMO CN(CC[C@@H]1CCC[N@H+]1C)Cc1cscn1 ZINC000161458590 384490235 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/nfs/dbraw/zinc/59/29/55/487592955.db2.gz SWAOJIDSIKJKIQ-RVARXAPGSA-N 1 1 222.376 2.138 20 70 BEIDMO C[C@@H](O)C[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000159366007 176017835 /nfs/dbraw/zinc/01/78/35/176017835.db2.gz MYBSREXHRILFPA-ZJUUUORDSA-N 1 1 211.280 2.199 20 70 BEIDMO C[C@@H]1CC[N@@H+](Cc2cnc(N)s2)C[C@@H]1C ZINC000161283942 176177948 /nfs/dbraw/zinc/17/79/48/176177948.db2.gz DNBGBQMVPCFCBZ-BDAKNGLRSA-N 1 1 225.361 2.203 20 70 BEIDMO CCCCC(=O)N1CCC[N@@H+](CCC)CC1 ZINC000160357819 487791047 /nfs/dbraw/zinc/79/10/47/487791047.db2.gz CYFQRQZHKMXYIY-UHFFFAOYSA-N 1 1 226.364 2.121 20 70 BEIDMO CC1(C)CCC(C[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000160336426 323065119 /nfs/dbraw/zinc/06/51/19/323065119.db2.gz YJVJYXTZVVVDEV-LBPRGKRZSA-N 1 1 238.375 2.153 20 70 BEIDMO Cn1c(C[NH+]2CCCC2)nnc1-c1ccccc1 ZINC000160670827 323101739 /nfs/dbraw/zinc/10/17/39/323101739.db2.gz HZBKVAIKIZTYCP-UHFFFAOYSA-N 1 1 242.326 2.078 20 70 BEIDMO CC(C)C[C@@H]1CCC[N@H+]1Cc1nccn1C ZINC000160886110 323137660 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CC[C@H](C)C[N@@H+](C)C[C@@H](O)C(C)(C)C ZINC000216913223 134177759 /nfs/dbraw/zinc/17/77/59/134177759.db2.gz GFJIRHHIOIRCIY-WDEREUQCSA-N 1 1 201.354 2.371 20 70 BEIDMO CC[N@H+]1CC[C@H](NCc2ccc(C)nc2)[C@H](C)C1 ZINC000161278653 170021700 /nfs/dbraw/zinc/02/17/00/170021700.db2.gz JEIPPBRCHRQRJN-DOMZBBRYSA-N 1 1 247.386 2.210 20 70 BEIDMO CCN1CC[C@H]([NH2+]Cc2ccc(C)nc2)[C@H](C)C1 ZINC000161278653 170021703 /nfs/dbraw/zinc/02/17/03/170021703.db2.gz JEIPPBRCHRQRJN-DOMZBBRYSA-N 1 1 247.386 2.210 20 70 BEIDMO C[C@H](N)C[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000218296515 411773842 /nfs/dbraw/zinc/77/38/42/411773842.db2.gz ABVMWXJPTFRJHL-UWVGGRQHSA-N 1 1 226.751 2.208 20 70 BEIDMO C[C@@H](O)C[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000159505634 176013590 /nfs/dbraw/zinc/01/35/90/176013590.db2.gz GAGGATKOUBUHCV-BDAKNGLRSA-N 1 1 229.270 2.338 20 70 BEIDMO C[C@H](c1ccco1)[N@@H+](C)CCn1ccnc1 ZINC000161500324 177047872 /nfs/dbraw/zinc/04/78/72/177047872.db2.gz WNUYPMSACGBIKE-LLVKDONJSA-N 1 1 219.288 2.169 20 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C(N[C@H]1CC[NH2+]C1)C12CC3CC(CC(C3)C1)C2 ZINC000217176665 592100645 /nfs/dbraw/zinc/10/06/45/592100645.db2.gz SYPIUXURCSOBRF-IHXHZNKUSA-N 1 1 234.387 2.154 20 70 BEIDMO CC(C)[N@@H+](Cc1cnnn1C)C1CCCCC1 ZINC000159767528 323047536 /nfs/dbraw/zinc/04/75/36/323047536.db2.gz VDVOMWRUUBGLAN-UHFFFAOYSA-N 1 1 236.363 2.358 20 70 BEIDMO C[N@H+]1CCC[C@H]1CNC(=O)CCC(C)(C)C ZINC000160129072 323060934 /nfs/dbraw/zinc/06/09/34/323060934.db2.gz TUAVOKCYIJYNEJ-NSHDSACASA-N 1 1 226.364 2.023 20 70 BEIDMO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1C=CCCC1 ZINC000161164940 346031789 /nfs/dbraw/zinc/03/17/89/346031789.db2.gz CQQCWEMEPYGNNX-FKJOKYEKSA-N 1 1 207.317 2.083 20 70 BEIDMO CC1(C)C[N@@H+](Cc2cnc(N)s2)CCS1 ZINC000161287499 346168116 /nfs/dbraw/zinc/16/81/16/346168116.db2.gz DKWPMHJSUNKZBB-UHFFFAOYSA-N 1 1 243.401 2.053 20 70 BEIDMO Cc1ccccc1C[N@@H+](C)Cc1ccnn1C ZINC000160524816 179270795 /nfs/dbraw/zinc/27/07/95/179270795.db2.gz GOAAYKFTZFJUBK-UHFFFAOYSA-N 1 1 229.327 2.361 20 70 BEIDMO Cc1ccccc1C[N@H+](C)Cc1ccnn1C ZINC000160524816 179270796 /nfs/dbraw/zinc/27/07/96/179270796.db2.gz GOAAYKFTZFJUBK-UHFFFAOYSA-N 1 1 229.327 2.361 20 70 BEIDMO COC(C[N@@H+]1CC=C(c2ccccc2)CC1)OC ZINC000160521207 349064397 /nfs/dbraw/zinc/06/43/97/349064397.db2.gz KLLDZHNTYSIEKL-UHFFFAOYSA-N 1 1 247.338 2.395 20 70 BEIDMO CCc1nnc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)[nH]1 ZINC000161232875 349404560 /nfs/dbraw/zinc/40/45/60/349404560.db2.gz YNPWIRTWCNVAQD-TUAOUCFPSA-N 1 1 248.374 2.378 20 70 BEIDMO CC[N@H+]1CCCC[C@H]1CN[C@@H](C)c1cnccn1 ZINC000161179681 349385203 /nfs/dbraw/zinc/38/52/03/349385203.db2.gz YKHNEDCWEBYWAH-STQMWFEESA-N 1 1 248.374 2.002 20 70 BEIDMO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1cnccn1 ZINC000161179681 349385207 /nfs/dbraw/zinc/38/52/07/349385207.db2.gz YKHNEDCWEBYWAH-STQMWFEESA-N 1 1 248.374 2.002 20 70 BEIDMO CCOCC[N@H+](C)Cc1nc2ccccc2[nH]1 ZINC000161251496 349415806 /nfs/dbraw/zinc/41/58/06/349415806.db2.gz DKNFHQWGGPIRDN-UHFFFAOYSA-N 1 1 233.315 2.031 20 70 BEIDMO CCOCC[N@@H+](C)Cc1nc2ccccc2[nH]1 ZINC000161251496 349415808 /nfs/dbraw/zinc/41/58/08/349415808.db2.gz DKNFHQWGGPIRDN-UHFFFAOYSA-N 1 1 233.315 2.031 20 70 BEIDMO Cc1ncc(C[N@@H+](C)CCOCC2CC2)s1 ZINC000159370670 180137448 /nfs/dbraw/zinc/13/74/48/180137448.db2.gz PVTQXDCRXMJVMB-UHFFFAOYSA-N 1 1 240.372 2.310 20 70 BEIDMO CCOC(=O)C[N@H+](CCSCC)CC(C)C ZINC000159707875 350980264 /nfs/dbraw/zinc/98/02/64/350980264.db2.gz GTTMSWJQOGSMFH-UHFFFAOYSA-N 1 1 247.404 2.261 20 70 BEIDMO CCOC(=O)C[N@@H+](CCSCC)CC(C)C ZINC000159707875 350980267 /nfs/dbraw/zinc/98/02/67/350980267.db2.gz GTTMSWJQOGSMFH-UHFFFAOYSA-N 1 1 247.404 2.261 20 70 BEIDMO C[C@@H]1CC[N@@H+](CC2(O)CCCC2)C[C@@H]1C ZINC000160979448 361335509 /nfs/dbraw/zinc/33/55/09/361335509.db2.gz QCLJQZGHBHOKSH-NEPJUHHUSA-N 1 1 211.349 2.269 20 70 BEIDMO C[C@H](O)C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000159365483 384325646 /nfs/dbraw/zinc/32/56/46/384325646.db2.gz JOCOCKDZRYQLJY-UWVGGRQHSA-N 1 1 211.280 2.199 20 70 BEIDMO CC(C)C[N@@H+](Cc1nccn1C)C1CC1 ZINC000160759354 384433408 /nfs/dbraw/zinc/43/34/08/384433408.db2.gz NAWKLGSEHYNEID-UHFFFAOYSA-N 1 1 207.321 2.041 20 70 BEIDMO CCc1cc(=O)[nH]c(C[N@@H+](CC(C)C)C2CC2)n1 ZINC000160755896 384435017 /nfs/dbraw/zinc/43/50/17/384435017.db2.gz NWTZSLWTHQOMJW-UHFFFAOYSA-N 1 1 249.358 2.365 20 70 BEIDMO CCCC[N@@H+](CC)Cc1nc(CC)cc(=O)[nH]1 ZINC000160765456 384435117 /nfs/dbraw/zinc/43/51/17/384435117.db2.gz NHZPWONSEYJPDP-UHFFFAOYSA-N 1 1 237.347 2.367 20 70 BEIDMO Cc1ccc(C[N@H+](C)CC2=CCCOC2)o1 ZINC000160870290 384443906 /nfs/dbraw/zinc/44/39/06/384443906.db2.gz YXXUADSPXTWDGN-UHFFFAOYSA-N 1 1 221.300 2.367 20 70 BEIDMO Cc1ccnc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000161183059 384473397 /nfs/dbraw/zinc/47/33/97/384473397.db2.gz VYTDINQWXPKYPK-QWHCGFSZSA-N 1 1 231.343 2.429 20 70 BEIDMO COC(C[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C)OC ZINC000161486548 384495866 /nfs/dbraw/zinc/49/58/66/384495866.db2.gz VJWSJLKWJLBTEK-TZMCWYRMSA-N 1 1 249.354 2.483 20 70 BEIDMO Cc1nc(C[N@@H+]2CCCSCC2)cs1 ZINC000161477919 384493320 /nfs/dbraw/zinc/49/33/20/384493320.db2.gz FMNPCCYQUBSOCI-UHFFFAOYSA-N 1 1 228.386 2.390 20 70 BEIDMO Cc1nc(C[N@H+]2CCCSCC2)cs1 ZINC000161477919 384493322 /nfs/dbraw/zinc/49/33/22/384493322.db2.gz FMNPCCYQUBSOCI-UHFFFAOYSA-N 1 1 228.386 2.390 20 70 BEIDMO CCc1nnc(C[N@@H+]2CC[C@]3(CC[C@H](C)C3)C2)[nH]1 ZINC000160763350 385717791 /nfs/dbraw/zinc/71/77/91/385717791.db2.gz GGSUHXDMERUXEP-FZMZJTMJSA-N 1 1 248.374 2.379 20 70 BEIDMO CCc1nnc(C[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)[nH]1 ZINC000160763350 385717794 /nfs/dbraw/zinc/71/77/94/385717794.db2.gz GGSUHXDMERUXEP-FZMZJTMJSA-N 1 1 248.374 2.379 20 70 BEIDMO CCCC[C@H](C(=O)OC)[N@@H+](C)CCCC ZINC000160796736 388091503 /nfs/dbraw/zinc/09/15/03/388091503.db2.gz GGPLKGGSPSWMSW-LLVKDONJSA-N 1 1 215.337 2.450 20 70 BEIDMO Fc1cncc(C[NH2+]Cc2ccco2)c1 ZINC000160124488 134798518 /nfs/dbraw/zinc/79/85/18/134798518.db2.gz OUPWVUXHRKAXEV-UHFFFAOYSA-N 1 1 206.220 2.104 20 70 BEIDMO CC[C@H](N)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000216841029 487593111 /nfs/dbraw/zinc/59/31/11/487593111.db2.gz SWAOJIDSIKJKIQ-QBBLGZLKSA-N 1 1 222.376 2.138 20 70 BEIDMO C[N@@H+](CCC1CCCC1)[C@@H]1CCCCNC1=O ZINC000160297393 487614502 /nfs/dbraw/zinc/61/45/02/487614502.db2.gz RIGJMMMMJZUFFS-CYBMUJFWSA-N 1 1 238.375 2.167 20 70 BEIDMO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](C)N ZINC000218296550 411772950 /nfs/dbraw/zinc/77/29/50/411772950.db2.gz ABVMWXJPTFRJHL-VHSXEESVSA-N 1 1 226.751 2.208 20 70 BEIDMO CC[C@@H]1C[N@@H+](Cc2cnc(N)s2)CCS1 ZINC000161287222 171091237 /nfs/dbraw/zinc/09/12/37/171091237.db2.gz NDRNUFMTRZLWMY-MRVPVSSYSA-N 1 1 243.401 2.053 20 70 BEIDMO C[C@@H](c1ccco1)[N@@H+](C)CCn1ccnc1 ZINC000161500218 176031126 /nfs/dbraw/zinc/03/11/26/176031126.db2.gz WNUYPMSACGBIKE-NSHDSACASA-N 1 1 219.288 2.169 20 70 BEIDMO C[C@H]1C[N@H+](Cc2cccc(O)c2)[C@@H](C)CO1 ZINC000217780847 177265508 /nfs/dbraw/zinc/26/55/08/177265508.db2.gz HGKWGCFBWIVYFL-QWRGUYRKSA-N 1 1 221.300 2.001 20 70 BEIDMO C[C@H]1C[N@@H+](Cc2cccc(O)c2)[C@@H](C)CO1 ZINC000217780847 177265509 /nfs/dbraw/zinc/26/55/09/177265509.db2.gz HGKWGCFBWIVYFL-QWRGUYRKSA-N 1 1 221.300 2.001 20 70 BEIDMO C[C@H]1C[C@H](C)[N@@H+](Cc2cccc(N)c2)C1 ZINC000160517873 177359302 /nfs/dbraw/zinc/35/93/02/177359302.db2.gz FGHFUURMSVFHRF-QWRGUYRKSA-N 1 1 204.317 2.499 20 70 BEIDMO C[C@@H]1C[N@@H+](Cc2cnc3ccccn23)CCS1 ZINC000159795747 323048115 /nfs/dbraw/zinc/04/81/15/323048115.db2.gz ZVVNXPMWNODKDI-LLVKDONJSA-N 1 1 247.367 2.272 20 70 BEIDMO C/C(=C/c1ccccc1)C[N@H+]1CCC[C@@H]1C(N)=O ZINC000160342407 323064982 /nfs/dbraw/zinc/06/49/82/323064982.db2.gz BMCWZDGDNXPLMY-GAJOTYCWSA-N 1 1 244.338 2.040 20 70 BEIDMO CCCn1c(C)nnc1C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000160605634 323073583 /nfs/dbraw/zinc/07/35/83/323073583.db2.gz ARGPDIJNTXYZQJ-MNOVXSKESA-N 1 1 236.363 2.227 20 70 BEIDMO Cn1cnnc1C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000160813248 323136271 /nfs/dbraw/zinc/13/62/71/323136271.db2.gz CLJGOGUJSKTCQT-CYBMUJFWSA-N 1 1 248.374 2.360 20 70 BEIDMO Cn1ccnc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000160875013 323137830 /nfs/dbraw/zinc/13/78/30/323137830.db2.gz IASQIBHUDRRASL-CQSZACIVSA-N 1 1 241.338 2.410 20 70 BEIDMO C[C@H]1CCC[N@H+]1Cc1cnc2ccccn12 ZINC000160891950 323137852 /nfs/dbraw/zinc/13/78/52/323137852.db2.gz GIJZDODSLPCNJY-NSHDSACASA-N 1 1 215.300 2.319 20 70 BEIDMO CCC[N@@H+](Cc1ccc(CO)o1)C(C)C ZINC000161320904 487491274 /nfs/dbraw/zinc/49/12/74/487491274.db2.gz SMUAFGAHMNOMAO-UHFFFAOYSA-N 1 1 211.305 2.392 20 70 BEIDMO [NH3+]C[C@@H]1CCCN(C/C=C\c2ccccc2)C1 ZINC000217542523 592125356 /nfs/dbraw/zinc/12/53/56/592125356.db2.gz DZPCSYAGAXXUTP-UVCVVPOWSA-N 1 1 230.355 2.371 20 70 BEIDMO CC(C)(C)NC(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159654723 345457940 /nfs/dbraw/zinc/45/79/40/345457940.db2.gz DYDUQJNPIKIVSJ-RYUDHWBXSA-N 1 1 238.375 2.166 20 70 BEIDMO CC(C)NC(=O)CC[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159694007 345470085 /nfs/dbraw/zinc/47/00/85/345470085.db2.gz BUMVBTRZWJLXGN-STQMWFEESA-N 1 1 238.375 2.166 20 70 BEIDMO c1[nH+]c2c(n1C[C@H]1CCCCO1)CCCC2 ZINC000160727210 349314066 /nfs/dbraw/zinc/31/40/66/349314066.db2.gz BNQGYWBVYQNFID-LLVKDONJSA-N 1 1 220.316 2.331 20 70 BEIDMO Cc1[nH+]cn(C[C@H]2CCC(C)(C)O2)c1C ZINC000161457665 180287349 /nfs/dbraw/zinc/28/73/49/180287349.db2.gz KGUYXLCZIVDUQH-LLVKDONJSA-N 1 1 208.305 2.458 20 70 BEIDMO CCCC[C@H](C(=O)OC)[N@@H+](C)CC(C)C ZINC000160798641 361328084 /nfs/dbraw/zinc/32/80/84/361328084.db2.gz IOIASFWPFBKLKY-LLVKDONJSA-N 1 1 215.337 2.306 20 70 BEIDMO CCC(CC)C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000159686363 384349581 /nfs/dbraw/zinc/34/95/81/384349581.db2.gz CUAKHORMXRFZFK-JQWIXIFHSA-N 1 1 226.364 2.008 20 70 BEIDMO COC(C[N@H+]1CCc2ccccc2[C@H]1C)OC ZINC000160999670 384456316 /nfs/dbraw/zinc/45/63/16/384456316.db2.gz MZUQXKASGSQAJR-LLVKDONJSA-N 1 1 235.327 2.225 20 70 BEIDMO COC(C[N@@H+](C)Cc1cc2ccccc2o1)OC ZINC000161369896 384482999 /nfs/dbraw/zinc/48/29/99/384482999.db2.gz MBRUTGWELXAKET-UHFFFAOYSA-N 1 1 249.310 2.484 20 70 BEIDMO CC[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC)cn2)C1 ZINC000160603871 387110486 /nfs/dbraw/zinc/11/04/86/387110486.db2.gz LHOXSKQCVYLWGH-NSHDSACASA-N 1 1 248.326 2.100 20 70 BEIDMO CCCn1c(C)nnc1C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000161224215 387155871 /nfs/dbraw/zinc/15/58/71/387155871.db2.gz CSYXIUTWZVPJTA-PHIMTYICSA-N 1 1 236.363 2.369 20 70 BEIDMO C[C@]1(O)CCCN(c2cc[nH+]cc2Cl)C1 ZINC000160840018 387963630 /nfs/dbraw/zinc/96/36/30/387963630.db2.gz SCBOYZPDXLLSFV-NSHDSACASA-N 1 1 226.707 2.086 20 70 BEIDMO CC(C)[N@@H+](CCCCO)CCc1nccs1 ZINC000159908084 388037659 /nfs/dbraw/zinc/03/76/59/388037659.db2.gz QZTKOGRPFWGZQT-UHFFFAOYSA-N 1 1 242.388 2.169 20 70 BEIDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)C1CC1 ZINC000159574543 323038390 /nfs/dbraw/zinc/03/83/90/323038390.db2.gz KTIJFCSGRVPNCP-UHFFFAOYSA-N 1 1 246.354 2.373 20 70 BEIDMO C[N@@H+](Cc1cnc2ccccn12)C1CCC1 ZINC000160800188 323135886 /nfs/dbraw/zinc/13/58/86/323135886.db2.gz CHRAFJAAHNUZIT-UHFFFAOYSA-N 1 1 215.300 2.319 20 70 BEIDMO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000161152287 323149331 /nfs/dbraw/zinc/14/93/31/323149331.db2.gz LCPGUSRVZNMRAO-UHFFFAOYSA-N 1 1 233.290 2.489 20 70 BEIDMO Cc1n[nH]cc1C[N@H+](C)Cc1ccc(F)cc1 ZINC000161152287 323149332 /nfs/dbraw/zinc/14/93/32/323149332.db2.gz LCPGUSRVZNMRAO-UHFFFAOYSA-N 1 1 233.290 2.489 20 70 BEIDMO CCOC(Cn1c[nH+]c2c1CCCC2)OCC ZINC000216887371 583171282 /nfs/dbraw/zinc/17/12/82/583171282.db2.gz ROBLGSBDHAACJV-UHFFFAOYSA-N 1 1 238.331 2.161 20 70 BEIDMO CCCC[C@H](C(=O)OC)[N@@H+](CC)CCC ZINC000161012779 344459189 /nfs/dbraw/zinc/45/91/89/344459189.db2.gz SCCRTAHUBOORCF-LLVKDONJSA-N 1 1 215.337 2.450 20 70 BEIDMO CCc1nnc(C[N@H+]2CC[C@H](C)C[C@H](C)C2)[nH]1 ZINC000159472379 345436589 /nfs/dbraw/zinc/43/65/89/345436589.db2.gz VOFCUFXRBUUVOB-QWRGUYRKSA-N 1 1 236.363 2.235 20 70 BEIDMO C[C@H](O)C[N@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000159540655 345441430 /nfs/dbraw/zinc/44/14/30/345441430.db2.gz FPBDUXSXVSDNQU-UWVGGRQHSA-N 1 1 240.347 2.346 20 70 BEIDMO C[C@H](O)C[N@@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000159540655 345441432 /nfs/dbraw/zinc/44/14/32/345441432.db2.gz FPBDUXSXVSDNQU-UWVGGRQHSA-N 1 1 240.347 2.346 20 70 BEIDMO c1cnn(CC[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000159703115 345494631 /nfs/dbraw/zinc/49/46/31/345494631.db2.gz ICVFXYLNVKHTTE-STQMWFEESA-N 1 1 219.332 2.148 20 70 BEIDMO CC[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](C)O ZINC000159366873 346419401 /nfs/dbraw/zinc/41/94/01/346419401.db2.gz RRHSSXHJWHVFQX-YPMHNXCESA-N 1 1 207.317 2.450 20 70 BEIDMO CC[N@@H+](Cc1ccccc1)CC1(O)CCOCC1 ZINC000159454264 346421177 /nfs/dbraw/zinc/42/11/77/346421177.db2.gz AHLYBGOTVOBVII-UHFFFAOYSA-N 1 1 249.354 2.050 20 70 BEIDMO Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H](C)O ZINC000159376066 179318838 /nfs/dbraw/zinc/31/88/38/179318838.db2.gz YPBXWKCPFXEZMY-VXGBXAGGSA-N 1 1 207.317 2.369 20 70 BEIDMO CC(C)[C@H]1C(=O)NCC[N@@H+]1CCC1CCCC1 ZINC000160451206 348300529 /nfs/dbraw/zinc/30/05/29/348300529.db2.gz HEKZFCJOQSACHN-ZDUSSCGKSA-N 1 1 238.375 2.023 20 70 BEIDMO CCOC[C@@H](C)[NH2+][C@H](C)c1cscn1 ZINC000161186993 349391034 /nfs/dbraw/zinc/39/10/34/349391034.db2.gz OCMNTTUSPKLXKG-RKDXNWHRSA-N 1 1 214.334 2.219 20 70 BEIDMO COc1ccc(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cn1 ZINC000217903985 134251238 /nfs/dbraw/zinc/25/12/38/134251238.db2.gz KYXPJSARERREHK-GMXVVIOVSA-N 1 1 249.358 2.231 20 70 BEIDMO CCn1ccnc1C[N@@H+](C)[C@H](C)C1CC1 ZINC000160854404 358969317 /nfs/dbraw/zinc/96/93/17/358969317.db2.gz CVVLKOMFDHNEPM-SNVBAGLBSA-N 1 1 207.321 2.133 20 70 BEIDMO Cn1ccnc1C[N@@H+](C)C(C1CC1)C1CC1 ZINC000160879139 358983723 /nfs/dbraw/zinc/98/37/23/358983723.db2.gz AMWSXZSVHXCMNM-UHFFFAOYSA-N 1 1 219.332 2.041 20 70 BEIDMO CCc1cc(=O)[nH]c(C[N@@H+]2CCCC[C@@H]2C)n1 ZINC000160497460 384416016 /nfs/dbraw/zinc/41/60/16/384416016.db2.gz DZWPIEALCHFREQ-JTQLQIEISA-N 1 1 235.331 2.119 20 70 BEIDMO CCc1cc(=O)[nH]c(C[N@H+]2CCCC[C@@H]2C)n1 ZINC000160497460 384416019 /nfs/dbraw/zinc/41/60/19/384416019.db2.gz DZWPIEALCHFREQ-JTQLQIEISA-N 1 1 235.331 2.119 20 70 BEIDMO c1[nH+]c2c(n1Cc1noc(C3CC3)n1)CCCC2 ZINC000160720144 384430641 /nfs/dbraw/zinc/43/06/41/384430641.db2.gz XODRYABCCVMXRW-UHFFFAOYSA-N 1 1 244.298 2.071 20 70 BEIDMO CN(CC[C@H]1CCC[N@H+]1C)Cc1cscn1 ZINC000161458467 384490470 /nfs/dbraw/zinc/49/04/70/384490470.db2.gz FFVWAKWGBSKQRB-GFCCVEGCSA-N 1 1 239.388 2.059 20 70 BEIDMO Cc1csc(C[N@@H+]2CCCSCC2)n1 ZINC000161480372 384492451 /nfs/dbraw/zinc/49/24/51/384492451.db2.gz LPADQLKJPKHFKY-UHFFFAOYSA-N 1 1 228.386 2.390 20 70 BEIDMO Cc1csc(C[N@H+]2CCCSCC2)n1 ZINC000161480372 384492458 /nfs/dbraw/zinc/49/24/58/384492458.db2.gz LPADQLKJPKHFKY-UHFFFAOYSA-N 1 1 228.386 2.390 20 70 BEIDMO Cc1nccn1CCCC[N@H+](C)C1CC1 ZINC000161470485 384492559 /nfs/dbraw/zinc/49/25/59/384492559.db2.gz AXHSCHOMGZKSED-UHFFFAOYSA-N 1 1 207.321 2.066 20 70 BEIDMO COC(=O)[C@@H](C)[N@@H+](C)CCC1CCCCC1 ZINC000160193461 384657787 /nfs/dbraw/zinc/65/77/87/384657787.db2.gz AMDDEHKCITZJDZ-LLVKDONJSA-N 1 1 227.348 2.450 20 70 BEIDMO COC(C)(C)CNc1[nH+]c2ccccc2n1C ZINC000161087188 385154506 /nfs/dbraw/zinc/15/45/06/385154506.db2.gz SHTGTJIINSIDGG-UHFFFAOYSA-N 1 1 233.315 2.410 20 70 BEIDMO C[C@@H]1SCC[N@@H+](Cc2cnc(N)s2)[C@H]1C ZINC000161286827 385656254 /nfs/dbraw/zinc/65/62/54/385656254.db2.gz WNMWYWUSLQKLDE-YUMQZZPRSA-N 1 1 243.401 2.051 20 70 BEIDMO CC[C@H]1C[N@@H+](Cc2cnc(N)s2)CCS1 ZINC000161287347 385662432 /nfs/dbraw/zinc/66/24/32/385662432.db2.gz NDRNUFMTRZLWMY-QMMMGPOBSA-N 1 1 243.401 2.053 20 70 BEIDMO CCOCCC[N@H+](C)Cc1csc(C)n1 ZINC000159723018 388028383 /nfs/dbraw/zinc/02/83/83/388028383.db2.gz FTWPHNJLSONUPI-UHFFFAOYSA-N 1 1 228.361 2.310 20 70 BEIDMO CCOCCC[N@@H+](C)Cc1csc(C)n1 ZINC000159723018 388028387 /nfs/dbraw/zinc/02/83/87/388028387.db2.gz FTWPHNJLSONUPI-UHFFFAOYSA-N 1 1 228.361 2.310 20 70 BEIDMO CCCC[C@@H](C(=O)OC)[N@@H+](C)CCC ZINC000160798790 388091731 /nfs/dbraw/zinc/09/17/31/388091731.db2.gz QXIHLTNPYZBOGL-JTQLQIEISA-N 1 1 201.310 2.060 20 70 BEIDMO CC[C@H](O)C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159780213 410466391 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MZUQXKASGSQAJR-NSHDSACASA-N 1 1 235.327 2.225 20 70 BEIDMO CCCc1noc(Cn2c[nH+]c3c2CCCC3)n1 ZINC000160722693 384429419 /nfs/dbraw/zinc/42/94/19/384429419.db2.gz VILBLYMRVHOTMT-UHFFFAOYSA-N 1 1 246.314 2.146 20 70 BEIDMO Cc1nc(Cn2c[nH+]c3c2CCCC3)oc1C ZINC000160726591 384431911 /nfs/dbraw/zinc/43/19/11/384431911.db2.gz YXLRLSMAHQDYJD-UHFFFAOYSA-N 1 1 231.299 2.415 20 70 BEIDMO Cc1ccc(C[N@@H+](C)Cc2cn(C)nc2C)o1 ZINC000160843399 384440597 /nfs/dbraw/zinc/44/05/97/384440597.db2.gz QBGZENXFQLOZIZ-UHFFFAOYSA-N 1 1 233.315 2.262 20 70 BEIDMO Cc1ccc(C[N@H+](C)Cc2cn(C)nc2C)o1 ZINC000160843399 384440601 /nfs/dbraw/zinc/44/06/01/384440601.db2.gz QBGZENXFQLOZIZ-UHFFFAOYSA-N 1 1 233.315 2.262 20 70 BEIDMO COC(C[N@H+]1CC[C@@H](Cc2ccccc2)C1)OC ZINC000161233143 384477401 /nfs/dbraw/zinc/47/74/01/384477401.db2.gz FSMXJDYYJDBBEQ-AWEZNQCLSA-N 1 1 249.354 2.170 20 70 BEIDMO CN(CC[C@@H]1CCC[N@H+]1C)Cc1ccco1 ZINC000161292344 384478813 /nfs/dbraw/zinc/47/88/13/384478813.db2.gz YAVBXJOWCZIJRT-LBPRGKRZSA-N 1 1 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CCCC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C)C1 ZINC000218201327 256846313 /nfs/dbraw/zinc/84/63/13/256846313.db2.gz JNNSVYXHZSQXIO-VXGBXAGGSA-N 1 1 227.348 2.450 20 70 BEIDMO CC(C)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000217915179 134250815 /nfs/dbraw/zinc/25/08/15/134250815.db2.gz ZFIXXZSHKWLXSS-YNEHKIRRSA-N 1 1 212.381 2.351 20 70 BEIDMO CC(C)CC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000217915179 134250816 /nfs/dbraw/zinc/25/08/16/134250816.db2.gz ZFIXXZSHKWLXSS-YNEHKIRRSA-N 1 1 212.381 2.351 20 70 BEIDMO COC(C[N@@H+](C)CCCc1ccccc1)OC ZINC000160561387 487597522 /nfs/dbraw/zinc/59/75/22/487597522.db2.gz LECDXISVMPAGRQ-UHFFFAOYSA-N 1 1 237.343 2.170 20 70 BEIDMO CCc1[nH+]ccn1C[C@@H]1CCC(C)(C)O1 ZINC000161036381 172024520 /nfs/dbraw/zinc/02/45/20/172024520.db2.gz JMPAVQHALZECQP-JTQLQIEISA-N 1 1 208.305 2.403 20 70 BEIDMO COC(C[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C)OC ZINC000161128797 173961146 /nfs/dbraw/zinc/96/11/46/173961146.db2.gz GIBINJGIGLOFIE-OCCSQVGLSA-N 1 1 249.354 2.483 20 70 BEIDMO CC(C)OC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000160327458 323064773 /nfs/dbraw/zinc/06/47/73/323064773.db2.gz NPAHWUCBUSIULH-GFCCVEGCSA-N 1 1 242.363 2.386 20 70 BEIDMO CC(C)C1(O)C[NH+](C/C=C\c2ccccc2)C1 ZINC000216965066 588825224 /nfs/dbraw/zinc/82/52/24/588825224.db2.gz PNYJXSNOAHHZDO-TWGQIWQCSA-N 1 1 231.339 2.403 20 70 BEIDMO CC[C@@H](C)[N@@H+](C)CCNc1nccs1 ZINC000217366122 592106381 /nfs/dbraw/zinc/10/63/81/592106381.db2.gz SVZJTPMURQQCFN-SECBINFHSA-N 1 1 213.350 2.285 20 70 BEIDMO C[N@H+](CCCN1CCCCC1)[C@@H]1CCSC1 ZINC000161457536 349454099 /nfs/dbraw/zinc/45/40/99/349454099.db2.gz UDTGFQBGAXJUND-CYBMUJFWSA-N 1 1 242.432 2.300 20 70 BEIDMO C[N@@H+](CCCN1CCCCC1)[C@@H]1CCSC1 ZINC000161457536 349454101 /nfs/dbraw/zinc/45/41/01/349454101.db2.gz UDTGFQBGAXJUND-CYBMUJFWSA-N 1 1 242.432 2.300 20 70 BEIDMO CN(CCC[NH+]1CCCCC1)[C@@H]1CCSC1 ZINC000161457536 349454104 /nfs/dbraw/zinc/45/41/04/349454104.db2.gz UDTGFQBGAXJUND-CYBMUJFWSA-N 1 1 242.432 2.300 20 70 BEIDMO Cc1cc(N[C@@H]2CCO[C@H](C3CC3)C2)nc(C)[nH+]1 ZINC000160276086 178183041 /nfs/dbraw/zinc/18/30/41/178183041.db2.gz NFZJSPRKMZCTPC-OLZOCXBDSA-N 1 1 247.342 2.463 20 70 BEIDMO CCSCC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000159429929 345433507 /nfs/dbraw/zinc/43/35/07/345433507.db2.gz NIXGRWSPQWDGAB-NSHDSACASA-N 1 1 239.388 2.342 20 70 BEIDMO CCSCC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000159429929 345433509 /nfs/dbraw/zinc/43/35/09/345433509.db2.gz NIXGRWSPQWDGAB-NSHDSACASA-N 1 1 239.388 2.342 20 70 BEIDMO CCSCC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000159429929 345433510 /nfs/dbraw/zinc/43/35/10/345433510.db2.gz NIXGRWSPQWDGAB-NSHDSACASA-N 1 1 239.388 2.342 20 70 BEIDMO COCC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159729602 345508883 /nfs/dbraw/zinc/50/88/83/345508883.db2.gz UUJVCFPZWATFGD-ZDUSSCGKSA-N 1 1 220.316 2.173 20 70 BEIDMO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCOC2)nc1 ZINC000160095318 345797517 /nfs/dbraw/zinc/79/75/17/345797517.db2.gz LWWXSVUHIPQVRA-ZDUSSCGKSA-N 1 1 234.343 2.248 20 70 BEIDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(CO)o2)C1 ZINC000161295962 346167063 /nfs/dbraw/zinc/16/70/63/346167063.db2.gz DHHLIJIHLWKXAW-ZJUUUORDSA-N 1 1 209.289 2.002 20 70 BEIDMO C[C@H]1C[C@H](C)[N@@H+](Cc2ccc(CO)o2)C1 ZINC000161296122 346167409 /nfs/dbraw/zinc/16/74/09/346167409.db2.gz DHHLIJIHLWKXAW-UWVGGRQHSA-N 1 1 209.289 2.002 20 70 BEIDMO CCc1nc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)no1 ZINC000160556987 349199817 /nfs/dbraw/zinc/19/98/17/349199817.db2.gz QQPGWMAEZNCRQO-QWRGUYRKSA-N 1 1 235.331 2.397 20 70 BEIDMO CCc1nc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)no1 ZINC000160556987 349199821 /nfs/dbraw/zinc/19/98/21/349199821.db2.gz QQPGWMAEZNCRQO-QWRGUYRKSA-N 1 1 235.331 2.397 20 70 BEIDMO CCSCC[N@H+]1CCS[C@H](C)C1 ZINC000160582695 349258948 /nfs/dbraw/zinc/25/89/48/349258948.db2.gz CLRYTXYBSOJOHE-SECBINFHSA-N 1 1 205.392 2.177 20 70 BEIDMO CCCn1c(C)nnc1C[N@@H+]1CCC2(CCC2)C1 ZINC000161224996 349403076 /nfs/dbraw/zinc/40/30/76/349403076.db2.gz WRSIXHCGQPJODP-UHFFFAOYSA-N 1 1 248.374 2.373 20 70 BEIDMO CCCn1c(C)nnc1C[N@H+]1CCC2(CCC2)C1 ZINC000161224996 349403078 /nfs/dbraw/zinc/40/30/78/349403078.db2.gz WRSIXHCGQPJODP-UHFFFAOYSA-N 1 1 248.374 2.373 20 70 BEIDMO CCCO[C@@H]1CCC[N@@H+](C[C@](C)(O)CC)CC1 ZINC000161027056 349363922 /nfs/dbraw/zinc/36/39/22/349363922.db2.gz XEOFHVZCUGXWOB-ZIAGYGMSSA-N 1 1 243.391 2.429 20 70 BEIDMO CC(C)[N@@H+](C)CCNC(=O)CCC(C)(C)C ZINC000160179514 353376733 /nfs/dbraw/zinc/37/67/33/353376733.db2.gz ZDCIXKZNZOJEEI-UHFFFAOYSA-N 1 1 228.380 2.269 20 70 BEIDMO COc1ccc(C[N@H+](C)Cc2cncnc2)cc1 ZINC000159847528 538879819 /nfs/dbraw/zinc/87/98/19/538879819.db2.gz HKWQXSULUZXYNB-UHFFFAOYSA-N 1 1 243.310 2.117 20 70 BEIDMO COc1ccc(C[N@@H+](C)Cc2cncnc2)cc1 ZINC000159847528 538879820 /nfs/dbraw/zinc/87/98/20/538879820.db2.gz HKWQXSULUZXYNB-UHFFFAOYSA-N 1 1 243.310 2.117 20 70 BEIDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000159461095 384205437 /nfs/dbraw/zinc/20/54/37/384205437.db2.gz ZDIURVDBDRBVQU-LLVKDONJSA-N 1 1 242.363 2.195 20 70 BEIDMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000159538681 384337750 /nfs/dbraw/zinc/33/77/50/384337750.db2.gz CSADSUUKONBMHO-BXUZGUMPSA-N 1 1 219.328 2.377 20 70 BEIDMO CCC(CC)C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000159686225 384349640 /nfs/dbraw/zinc/34/96/40/384349640.db2.gz CUAKHORMXRFZFK-CMPLNLGQSA-N 1 1 226.364 2.008 20 70 BEIDMO COc1ccc(C[N@H+](C)Cc2ccnn2C)cc1 ZINC000159865301 384367687 /nfs/dbraw/zinc/36/76/87/384367687.db2.gz GDCTUFCZPDXEPX-UHFFFAOYSA-N 1 1 245.326 2.061 20 70 BEIDMO COc1ccc(C[N@@H+](C)Cc2ccnn2C)cc1 ZINC000159865301 384367697 /nfs/dbraw/zinc/36/76/97/384367697.db2.gz GDCTUFCZPDXEPX-UHFFFAOYSA-N 1 1 245.326 2.061 20 70 BEIDMO CC[N@@H+](CCc1ccccc1)CC(OC)OC ZINC000160599172 384422536 /nfs/dbraw/zinc/42/25/36/384422536.db2.gz QMMSMFNYEUHSKB-UHFFFAOYSA-N 1 1 237.343 2.170 20 70 BEIDMO CCc1ccc([C@@H](C)[NH2+]CC(=O)NC(C)C)o1 ZINC000161005572 384455337 /nfs/dbraw/zinc/45/53/37/384455337.db2.gz IYTZUBIUDWEKBD-SNVBAGLBSA-N 1 1 238.331 2.017 20 70 BEIDMO COC(C[N@H+]1C[C@H](c2ccccc2)C[C@H]1C)OC ZINC000161129019 384467051 /nfs/dbraw/zinc/46/70/51/384467051.db2.gz GIBINJGIGLOFIE-TZMCWYRMSA-N 1 1 249.354 2.483 20 70 BEIDMO c1cn(CC[N@@H+](C2CC2)C2CCCC2)cn1 ZINC000161378189 387196558 /nfs/dbraw/zinc/19/65/58/387196558.db2.gz BIVOFOLAPWDSTM-UHFFFAOYSA-N 1 1 219.332 2.290 20 70 BEIDMO CCOCCNc1cc[nH+]cc1Br ZINC000159820478 388031995 /nfs/dbraw/zinc/03/19/95/388031995.db2.gz VKOYKURWSNONCQ-UHFFFAOYSA-N 1 1 245.120 2.293 20 70 BEIDMO CCCC[C@@H](C(=O)OC)[N@@H+](C)CCCC ZINC000160796590 388091051 /nfs/dbraw/zinc/09/10/51/388091051.db2.gz GGPLKGGSPSWMSW-NSHDSACASA-N 1 1 215.337 2.450 20 70 BEIDMO CCCC[C@H](C(=O)OC)[N@@H+](C)CC1CC1 ZINC000160797261 388091831 /nfs/dbraw/zinc/09/18/31/388091831.db2.gz QQNPTAGHVJFESR-LLVKDONJSA-N 1 1 213.321 2.060 20 70 BEIDMO CCCC[C@H](C(=O)OC)[N@@H+](C)CC1CCC1 ZINC000160799717 388091841 /nfs/dbraw/zinc/09/18/41/388091841.db2.gz BUXTYNXHHGFDAN-GFCCVEGCSA-N 1 1 227.348 2.450 20 70 BEIDMO CCCC[C@H](C(=O)OC)[N@@H+](C)CCC ZINC000160798909 388091856 /nfs/dbraw/zinc/09/18/56/388091856.db2.gz QXIHLTNPYZBOGL-SNVBAGLBSA-N 1 1 201.310 2.060 20 70 BEIDMO COc1ccccc1C[N@@H+](C)CC1=CCCOC1 ZINC000160423330 175324226 /nfs/dbraw/zinc/32/42/26/175324226.db2.gz MLFWMWCOFCKNPV-UHFFFAOYSA-N 1 1 247.338 2.474 20 70 BEIDMO C[C@@H]1C[N@H+](Cc2cccc(O)c2)[C@@H](C)CO1 ZINC000217780761 177301603 /nfs/dbraw/zinc/30/16/03/177301603.db2.gz HGKWGCFBWIVYFL-WDEREUQCSA-N 1 1 221.300 2.001 20 70 BEIDMO C[C@@H]1C[N@@H+](Cc2cccc(O)c2)[C@@H](C)CO1 ZINC000217780761 177301604 /nfs/dbraw/zinc/30/16/04/177301604.db2.gz HGKWGCFBWIVYFL-WDEREUQCSA-N 1 1 221.300 2.001 20 70 BEIDMO Cn1cnnc1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000160738439 323104511 /nfs/dbraw/zinc/10/45/11/323104511.db2.gz FUGGBQBXWFHWRF-CYBMUJFWSA-N 1 1 242.326 2.152 20 70 BEIDMO Cn1cnnc1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000160738439 323104512 /nfs/dbraw/zinc/10/45/12/323104512.db2.gz FUGGBQBXWFHWRF-CYBMUJFWSA-N 1 1 242.326 2.152 20 70 BEIDMO Cn1cnnc1C[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000160876390 323137823 /nfs/dbraw/zinc/13/78/23/323137823.db2.gz OCEPSTJKWRVUOP-NSHDSACASA-N 1 1 236.363 2.216 20 70 BEIDMO C(N[C@@H]1CC[NH2+]C1)C12CC3CC(CC(C3)C1)C2 ZINC000217176657 582822160 /nfs/dbraw/zinc/82/21/60/582822160.db2.gz SYPIUXURCSOBRF-WRHSUISWSA-N 1 1 234.387 2.154 20 70 BEIDMO