smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[C@H]1CC=C[C@H](CCCC)[N@@H+]1CC(N)=O ZINC001529120152 990334225 /nfs/dbraw/zinc/33/42/25/990334225.db2.gz VGTJFRJPUGCFLJ-STQMWFEESA-N 1 1 236.359 2.237 50 30 BEEAMO CCC#CC[N@@H+](CCO)Cc1ccc(F)cc1 ZINC001529168095 990336287 /nfs/dbraw/zinc/33/62/87/990336287.db2.gz XCOZOMCMSOBABD-UHFFFAOYSA-N 1 1 235.302 2.033 50 30 BEEAMO Cc1cc(C#N)c(NC[C@H]2CCC[N@@H+]2C)nc1C ZINC000826767265 994513510 /nfs/dbraw/zinc/51/35/10/994513510.db2.gz BFEVFLIEYVFXTM-CYBMUJFWSA-N 1 1 244.342 2.076 50 30 BEEAMO CCO[C@@H]1C[C@@H]([N@H+](C)CCC#N)C1(C)C ZINC000084800714 398344214 /nfs/dbraw/zinc/34/42/14/398344214.db2.gz FZHNXAAUUOWXDR-GHMZBOCLSA-N 1 1 210.321 2.035 50 30 BEEAMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCC#N)C1(C)C ZINC000084800714 398344215 /nfs/dbraw/zinc/34/42/15/398344215.db2.gz FZHNXAAUUOWXDR-GHMZBOCLSA-N 1 1 210.321 2.035 50 30 BEEAMO [NH3+][C@@]1(c2ccccc2Cl)CCC=CC1=O ZINC000044136138 343493180 /nfs/dbraw/zinc/49/31/80/343493180.db2.gz BXBPJMHHWPXBJL-GFCCVEGCSA-N 1 1 221.687 2.413 50 30 in-vitro BEEAMO N#CCCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000054318130 187272613 /nfs/dbraw/zinc/27/26/13/187272613.db2.gz KTCXJYVNMHXWBB-UHFFFAOYSA-N 1 1 249.402 2.488 50 30 BEEAMO C[C@H](O)C#CC[N@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000000526008 346977290 /nfs/dbraw/zinc/97/72/90/346977290.db2.gz SNUQBXRXMIXVHA-GZBFAFLISA-N 1 1 235.371 2.271 50 30 biogenic BEEAMO N#CCC[N@H+](CC1CC1)C[C@@H]1CCCCO1 ZINC000078993143 187281098 /nfs/dbraw/zinc/28/10/98/187281098.db2.gz AVABJHOBGZAWJB-ZDUSSCGKSA-N 1 1 222.332 2.181 50 30 BEEAMO N#CCC[N@@H+](CC1CC1)C[C@@H]1CCCCO1 ZINC000078993143 187281099 /nfs/dbraw/zinc/28/10/99/187281099.db2.gz AVABJHOBGZAWJB-ZDUSSCGKSA-N 1 1 222.332 2.181 50 30 BEEAMO C#CC[N@@H+](C)CCCc1nc2ccccc2o1 ZINC000192230495 187361439 /nfs/dbraw/zinc/36/14/39/187361439.db2.gz VTORJKAZTAMONR-UHFFFAOYSA-N 1 1 228.295 2.325 50 30 BEEAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCCC#N ZINC000072253560 180348531 /nfs/dbraw/zinc/34/85/31/180348531.db2.gz JHHHYCXKMYNEDE-CYBMUJFWSA-N 1 1 246.358 2.478 50 30 BEEAMO C#CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC000019312873 187656898 /nfs/dbraw/zinc/65/68/98/187656898.db2.gz IIRXVYCZSANUBQ-NSHDSACASA-N 1 1 245.322 2.256 50 30 biogenic BEEAMO C#CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC000019312873 187656900 /nfs/dbraw/zinc/65/69/00/187656900.db2.gz IIRXVYCZSANUBQ-NSHDSACASA-N 1 1 245.322 2.256 50 30 biogenic BEEAMO C=C(C)C[N@H+](CC)Cc1ccc(C(N)=O)cc1 ZINC000053778629 187706945 /nfs/dbraw/zinc/70/69/45/187706945.db2.gz FXYICMKTZWRYQR-UHFFFAOYSA-N 1 1 232.327 2.184 50 30 BEEAMO C=CC[N@@H+]1CCC[C@H]1Cn1nc(C)cc1C ZINC000069919351 166356921 /nfs/dbraw/zinc/35/69/21/166356921.db2.gz QSWPROJCRGMVOJ-ZDUSSCGKSA-N 1 1 219.332 2.150 50 30 BEEAMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000089761626 187973449 /nfs/dbraw/zinc/97/34/49/187973449.db2.gz FZRRTWUADJAAEY-CQSZACIVSA-N 1 1 244.338 2.294 50 30 BEEAMO CC#CC[NH2+]C(C)(C)c1nc(C)cs1 ZINC000096443392 188016777 /nfs/dbraw/zinc/01/67/77/188016777.db2.gz YYIGJLWXVCNJNX-UHFFFAOYSA-N 1 1 208.330 2.300 50 30 BEEAMO C=C(C)C[N@H+](C)[C@@H](CO)c1ccc(OC)cc1 ZINC000071904385 188047357 /nfs/dbraw/zinc/04/73/57/188047357.db2.gz SDARROYBZGPWSU-AWEZNQCLSA-N 1 1 235.327 2.237 50 30 BEEAMO C#CC[N@H+](C[C@@H](O)CC(C)C)C(C)(C)C ZINC000078496075 188258589 /nfs/dbraw/zinc/25/85/89/188258589.db2.gz CLNWJNHNHJMWMV-LBPRGKRZSA-N 1 1 211.349 2.127 50 30 BEEAMO N#CCCC[N@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000069952080 181036114 /nfs/dbraw/zinc/03/61/14/181036114.db2.gz YUYBKQCXKFQKMD-CYBMUJFWSA-N 1 1 232.331 2.041 50 30 BEEAMO N#CCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050266848 181038153 /nfs/dbraw/zinc/03/81/53/181038153.db2.gz SRVYSDUENQJXPJ-CYBMUJFWSA-N 1 1 200.285 2.390 50 30 BEEAMO N#CCC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050266848 181038155 /nfs/dbraw/zinc/03/81/55/181038155.db2.gz SRVYSDUENQJXPJ-CYBMUJFWSA-N 1 1 200.285 2.390 50 30 BEEAMO C=C(Br)C[NH+]1CCCCC1 ZINC000020169443 356487031 /nfs/dbraw/zinc/48/70/31/356487031.db2.gz ARTRALZMYCCNTK-UHFFFAOYSA-N 1 1 204.111 2.381 50 30 BEEAMO C=C(Cl)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000098018528 538717208 /nfs/dbraw/zinc/71/72/08/538717208.db2.gz OFHVCSRHKIZOJZ-WDEREUQCSA-N 1 1 216.756 2.153 50 30 BEEAMO CCC[N@H+]1CC[C@H](CNc2ncccc2C#N)C1 ZINC000097159666 169209178 /nfs/dbraw/zinc/20/91/78/169209178.db2.gz DRQPVNDWRAVHEH-GFCCVEGCSA-N 1 1 244.342 2.097 50 30 BEEAMO C[C@]1(C#N)CC[N@H+](Cc2ccccc2)C1 ZINC000066055329 383844621 /nfs/dbraw/zinc/84/46/21/383844621.db2.gz XJOKIRNPOIKWNQ-CYBMUJFWSA-N 1 1 200.285 2.422 50 30 BEEAMO C[C@]1(C#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000066055329 383844628 /nfs/dbraw/zinc/84/46/28/383844628.db2.gz XJOKIRNPOIKWNQ-CYBMUJFWSA-N 1 1 200.285 2.422 50 30 BEEAMO C=C(Cl)C[N@H+](CCC(=O)OC)C(C)C ZINC000071904926 384144626 /nfs/dbraw/zinc/14/46/26/384144626.db2.gz LSDNZMXTFOBRFE-UHFFFAOYSA-N 1 1 219.712 2.012 50 30 BEEAMO C#CC[N@@H+]1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000032928720 384478467 /nfs/dbraw/zinc/47/84/67/384478467.db2.gz YAUJNIPGWIZCCS-ZDUSSCGKSA-N 1 1 245.322 2.474 50 30 BEEAMO C[N@@H+](CCc1ccncc1)Cc1ccc(C#N)o1 ZINC000183759920 385892525 /nfs/dbraw/zinc/89/25/25/385892525.db2.gz ZMDOEFPTLMGTRH-UHFFFAOYSA-N 1 1 241.294 2.221 50 30 BEEAMO CC(C)CO[C@@H]1CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000089840277 388368789 /nfs/dbraw/zinc/36/87/89/388368789.db2.gz VUTPOFIPOQVRSH-UONOGXRCSA-N 1 1 249.358 2.177 50 30 BEEAMO CC(C)CO[C@@H]1CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000089840277 388368792 /nfs/dbraw/zinc/36/87/92/388368792.db2.gz VUTPOFIPOQVRSH-UONOGXRCSA-N 1 1 249.358 2.177 50 30 BEEAMO C[N@@H+](CCCC#N)C[C@@H]1COc2ccccc2O1 ZINC000096905398 388827383 /nfs/dbraw/zinc/82/73/83/388827383.db2.gz IWNDWFDASAWHPX-GFCCVEGCSA-N 1 1 246.310 2.062 50 30 BEEAMO C=CC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000048041417 132227929 /nfs/dbraw/zinc/22/79/29/132227929.db2.gz NVCXTTLBWCKCOH-UHFFFAOYSA-N 1 1 245.301 2.005 50 30 BEEAMO C#CC[N@H+](C)[C@H](C)c1ccccc1OC ZINC000051879582 166160677 /nfs/dbraw/zinc/16/06/77/166160677.db2.gz FLMGALROPFEEKB-LLVKDONJSA-N 1 1 203.285 2.321 50 30 BEEAMO C#CC[N@@H+](CC(=O)C(C)(C)C)C(C)(C)C ZINC000054954725 166163401 /nfs/dbraw/zinc/16/34/01/166163401.db2.gz UKVFLLQJQNHSQW-UHFFFAOYSA-N 1 1 209.333 2.335 50 30 BEEAMO CCN1CC[C@@H]([NH2+]CCCCC#N)[C@@H](C)C1 ZINC000108324174 170012194 /nfs/dbraw/zinc/01/21/94/170012194.db2.gz VOAHUURMKHNKBP-QWHCGFSZSA-N 1 1 223.364 2.000 50 30 BEEAMO CCN1CC[C@H]([NH2+]CCCCC#N)[C@H](C)C1 ZINC000095967668 170020413 /nfs/dbraw/zinc/02/04/13/170020413.db2.gz VOAHUURMKHNKBP-OLZOCXBDSA-N 1 1 223.364 2.000 50 30 BEEAMO CCO[C@H]1C[C@@H]([N@H+](C)CCC#N)C1(C)C ZINC000084800716 170506899 /nfs/dbraw/zinc/50/68/99/170506899.db2.gz FZHNXAAUUOWXDR-MNOVXSKESA-N 1 1 210.321 2.035 50 30 BEEAMO CCO[C@H]1C[C@@H]([N@@H+](C)CCC#N)C1(C)C ZINC000084800716 170506900 /nfs/dbraw/zinc/50/69/00/170506900.db2.gz FZHNXAAUUOWXDR-MNOVXSKESA-N 1 1 210.321 2.035 50 30 BEEAMO CN(C[C@H]1CC[N@@H+](C)C1)c1cccc(F)c1C#N ZINC000069699390 173143511 /nfs/dbraw/zinc/14/35/11/173143511.db2.gz SQNAOIQELMGJQR-NSHDSACASA-N 1 1 247.317 2.085 50 30 BEEAMO COc1ccc(OCC[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000049836455 175172337 /nfs/dbraw/zinc/17/23/37/175172337.db2.gz QIWNFDGFNLQQPQ-LBPRGKRZSA-N 1 1 248.326 2.308 50 30 BEEAMO COc1ccc(OCC[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000049836455 175172340 /nfs/dbraw/zinc/17/23/40/175172340.db2.gz QIWNFDGFNLQQPQ-LBPRGKRZSA-N 1 1 248.326 2.308 50 30 BEEAMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000019482253 177261604 /nfs/dbraw/zinc/26/16/04/177261604.db2.gz WOBNYJJHTJFBJI-TXEJJXNPSA-N 1 1 230.311 2.167 50 30 BEEAMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000019482253 177261606 /nfs/dbraw/zinc/26/16/06/177261606.db2.gz WOBNYJJHTJFBJI-TXEJJXNPSA-N 1 1 230.311 2.167 50 30 BEEAMO CCC#CC[N@@H+](C)CCCc1c(C)n[nH]c1C ZINC000670462982 487516143 /nfs/dbraw/zinc/51/61/43/487516143.db2.gz FHSCEYWPVOBPCZ-UHFFFAOYSA-N 1 1 233.359 2.304 50 30 BEEAMO C=C(Cl)CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000096447066 518649548 /nfs/dbraw/zinc/64/95/48/518649548.db2.gz UHADGZYLTXVIGG-CYBMUJFWSA-N 1 1 242.794 2.403 50 30 BEEAMO C=CCC(C)(C)C[N@@H+](C)Cc1ncc[nH]1 ZINC000067759052 711797149 /nfs/dbraw/zinc/79/71/49/711797149.db2.gz LXKQBECHBZFQAF-UHFFFAOYSA-N 1 1 207.321 2.444 50 30 BEEAMO CC(C)[N@H+]1CCC[C@H]1CNc1cc(C#N)ccn1 ZINC000826796096 968676482 /nfs/dbraw/zinc/67/64/82/968676482.db2.gz IGOYBRUJDVXEEW-ZDUSSCGKSA-N 1 1 244.342 2.238 50 30 BEEAMO C=C(C)COCCNc1cccc(C)[nH+]1 ZINC000097163370 187327644 /nfs/dbraw/zinc/32/76/44/187327644.db2.gz JCYIFWNEVJFWDO-UHFFFAOYSA-N 1 1 206.289 2.395 50 30 BEEAMO Cc1ccc(-c2csc(NC(N)=[NH2+])n2)cc1 ZINC000013659172 178329713 /nfs/dbraw/zinc/32/97/13/178329713.db2.gz ZDGAXVHTLHPERL-UHFFFAOYSA-N 1 1 232.312 2.023 50 30 BEEAMO CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)COC ZINC000042252119 361977974 /nfs/dbraw/zinc/97/79/74/361977974.db2.gz HFNPPJLQDUNYKP-GFCCVEGCSA-N 1 1 232.327 2.415 50 30 BEEAMO C#CC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000061991201 398345249 /nfs/dbraw/zinc/34/52/49/398345249.db2.gz KYMRYIRSWDUKBO-CYBMUJFWSA-N 1 1 200.285 2.242 50 30 biogenic BEEAMO C=CCCCCC[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000235589946 344948564 /nfs/dbraw/zinc/94/85/64/344948564.db2.gz CQTIZVYLLGRCLH-QWHCGFSZSA-N 1 1 211.349 2.436 50 30 BEEAMO C=CCCC[N@H+](C)C1CCC(CO)CC1 ZINC000089923571 166233234 /nfs/dbraw/zinc/23/32/34/166233234.db2.gz IHHHSMNQGQKSKR-UHFFFAOYSA-N 1 1 211.349 2.436 50 30 BEEAMO N#CCCC[N@H+]1CCCC[C@H]1Cn1cccn1 ZINC000069952079 181035719 /nfs/dbraw/zinc/03/57/19/181035719.db2.gz YUYBKQCXKFQKMD-ZDUSSCGKSA-N 1 1 232.331 2.041 50 30 BEEAMO N#CC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000039214377 181046312 /nfs/dbraw/zinc/04/63/12/181046312.db2.gz HYBXAXKMVJEWHM-ZDUSSCGKSA-N 1 1 200.285 2.422 50 30 BEEAMO N#C[C@H]1[C@H]2CC[C@@H]1[N@H+](Cc1ccccc1)C2 ZINC000238790007 181061736 /nfs/dbraw/zinc/06/17/36/181061736.db2.gz DMTKPZZTUOSAFQ-IHRRRGAJSA-N 1 1 212.296 2.421 50 30 BEEAMO N#C[C@H]1[C@H]2CC[C@@H]1[N@@H+](Cc1ccccc1)C2 ZINC000238790007 181061737 /nfs/dbraw/zinc/06/17/37/181061737.db2.gz DMTKPZZTUOSAFQ-IHRRRGAJSA-N 1 1 212.296 2.421 50 30 BEEAMO CSC(NC12CC3CC(CC(C3)C1)C2)=[NH+]N ZINC000004342950 384057341 /nfs/dbraw/zinc/05/73/41/384057341.db2.gz GYSYBBZNIBNVES-UHFFFAOYSA-N 1 1 239.388 2.138 50 30 BEEAMO C#CCn1cc(C[N@@H+](C)C[C@H]2CC=CCC2)cn1 ZINC000092039191 384145949 /nfs/dbraw/zinc/14/59/49/384145949.db2.gz NVUZTHFDIWFRQU-AWEZNQCLSA-N 1 1 243.354 2.304 50 30 BEEAMO C=CCCCCC[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000408514816 384271394 /nfs/dbraw/zinc/27/13/94/384271394.db2.gz OHRAWWOIQIHVBS-DOMZBBRYSA-N 1 1 229.389 2.186 50 30 BEEAMO C=CCCCCC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000408514816 384271399 /nfs/dbraw/zinc/27/13/99/384271399.db2.gz OHRAWWOIQIHVBS-DOMZBBRYSA-N 1 1 229.389 2.186 50 30 BEEAMO C=C(C)C[N@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000089914046 387188288 /nfs/dbraw/zinc/18/82/88/387188288.db2.gz DNHZSLPMBOKVIP-AWEZNQCLSA-N 1 1 244.338 2.126 50 30 BEEAMO CC[N@H+](CCNCc1ccc(C#N)cc1)C1CC1 ZINC000071854219 388120962 /nfs/dbraw/zinc/12/09/62/388120962.db2.gz JJEHSPAHGHFCCD-UHFFFAOYSA-N 1 1 243.354 2.132 50 30 BEEAMO CC[N@@H+](CCNCc1ccc(C#N)cc1)C1CC1 ZINC000071854219 388120963 /nfs/dbraw/zinc/12/09/63/388120963.db2.gz JJEHSPAHGHFCCD-UHFFFAOYSA-N 1 1 243.354 2.132 50 30 BEEAMO C=C(C)C[N@@H+](CC)Cc1occc1C(=O)OC ZINC000055255758 388694290 /nfs/dbraw/zinc/69/42/90/388694290.db2.gz ZEXUDNYGCPKFAN-UHFFFAOYSA-N 1 1 237.299 2.464 50 30 BEEAMO C=C(C)C[N@H+](CC)Cc1occc1C(=O)OC ZINC000055255758 388694293 /nfs/dbraw/zinc/69/42/93/388694293.db2.gz ZEXUDNYGCPKFAN-UHFFFAOYSA-N 1 1 237.299 2.464 50 30 BEEAMO CC[C@@H](CC#N)[NH2+]Cc1c(C)nn(CC)c1C ZINC000273851593 135366640 /nfs/dbraw/zinc/36/66/40/135366640.db2.gz JZGDNZZNPWAGOE-LBPRGKRZSA-N 1 1 234.347 2.302 50 30 BEEAMO C#CCOc1ccccc1C[N@@H+](C)CCCC#N ZINC000069976967 166200529 /nfs/dbraw/zinc/20/05/29/166200529.db2.gz YYWIEIUXSLCUQU-UHFFFAOYSA-N 1 1 242.322 2.434 50 30 BEEAMO C=CC[N@H+]1CCN(c2nc(C)cs2)[C@@H](C)C1 ZINC000069847955 166354889 /nfs/dbraw/zinc/35/48/89/166354889.db2.gz BLVQZIMYOGHBBK-NSHDSACASA-N 1 1 237.372 2.148 50 30 BEEAMO C=CC[N@@H+]1CCN(c2nc(C)cs2)[C@@H](C)C1 ZINC000069847955 166354886 /nfs/dbraw/zinc/35/48/86/166354886.db2.gz BLVQZIMYOGHBBK-NSHDSACASA-N 1 1 237.372 2.148 50 30 BEEAMO C=CC[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000075132386 166355803 /nfs/dbraw/zinc/35/58/03/166355803.db2.gz LAFKBBVBFYUMDX-GFCCVEGCSA-N 1 1 219.332 2.360 50 30 BEEAMO CCN1CC[C@H]([NH2+]CCCCC#N)[C@@H](C)C1 ZINC000108324177 170020602 /nfs/dbraw/zinc/02/06/02/170020602.db2.gz VOAHUURMKHNKBP-STQMWFEESA-N 1 1 223.364 2.000 50 30 BEEAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC#CC(C)(C)O ZINC000000197981 177116423 /nfs/dbraw/zinc/11/64/23/177116423.db2.gz RCTTWLVFPRFKCS-TXEJJXNPSA-N 1 1 209.333 2.024 50 30 BEEAMO CCc1nccc(C[NH+]2CCC(C)(C#N)CC2)n1 ZINC000670462922 487516027 /nfs/dbraw/zinc/51/60/27/487516027.db2.gz QKSGHTFTHLSDSF-UHFFFAOYSA-N 1 1 244.342 2.165 50 30 BEEAMO COc1cc([NH+]=CN(C)C)c(C)cc1[N+](=O)[O-] ZINC000254795217 635725892 /nfs/dbraw/zinc/72/58/92/635725892.db2.gz OYMFPVBNKKEEAA-UHFFFAOYSA-N 1 1 237.259 2.133 50 30 BEEAMO C[NH+](C)/C=C/C=C1C(=O)c2ccccc2C1=O ZINC000055501621 643740737 /nfs/dbraw/zinc/74/07/37/643740737.db2.gz PKPRRHKQYKYOFR-WEVVVXLNSA-N 1 1 227.263 2.067 50 30 BEEAMO C=CCC(C)(C)C[N@@H+]1CC[C@H](CC(=O)NC)C1 ZINC000820449164 968476282 /nfs/dbraw/zinc/47/62/82/968476282.db2.gz AYIZFNNFCNGJEY-GFCCVEGCSA-N 1 1 238.375 2.047 50 30 BEEAMO C=C(Cl)C[N@@H+]1CCCC[C@@H]1[C@@H](O)CC ZINC000076325387 187261966 /nfs/dbraw/zinc/26/19/66/187261966.db2.gz SEAKPTHNCAOOEA-MNOVXSKESA-N 1 1 217.740 2.364 50 30 BEEAMO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000092455569 188049335 /nfs/dbraw/zinc/04/93/35/188049335.db2.gz OFXDFFTZMCKBDZ-AWEZNQCLSA-N 1 1 247.338 2.208 50 30 BEEAMO C#CCN1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000097378924 188366002 /nfs/dbraw/zinc/36/60/02/188366002.db2.gz ZEWZOCVJWJKTPT-GFCCVEGCSA-N 1 1 234.368 2.060 50 30 BEEAMO CN(C)/C=[NH+]/c1nc(=S)ss1 ZINC000117819363 368420025 /nfs/dbraw/zinc/42/00/25/368420025.db2.gz YRDSDHFBUHFDPG-ZZXKWVIFSA-N 1 1 205.333 2.155 50 30 BEEAMO N#CC1(c2nc([C@H]3CCCCC[NH2+]3)no2)CCC1 ZINC000096001560 371375624 /nfs/dbraw/zinc/37/56/24/371375624.db2.gz OTOMFYFCUZPTOG-SNVBAGLBSA-N 1 1 246.314 2.220 50 30 BEEAMO N#CC1(c2nc([C@@H]3CCCCC[NH2+]3)no2)CCC1 ZINC000096001561 371375799 /nfs/dbraw/zinc/37/57/99/371375799.db2.gz OTOMFYFCUZPTOG-JTQLQIEISA-N 1 1 246.314 2.220 50 30 BEEAMO CC[C@H](CC#N)[NH2+]Cc1ccc(C#N)cc1 ZINC000037749086 384006806 /nfs/dbraw/zinc/00/68/06/384006806.db2.gz BKSVUFBMUHCWIT-CYBMUJFWSA-N 1 1 213.284 2.340 50 30 BEEAMO O=C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038866806 384097784 /nfs/dbraw/zinc/09/77/84/384097784.db2.gz VXLGEGLTEVHHOC-CYBMUJFWSA-N 1 1 203.285 2.098 50 30 BEEAMO C=C(C)C[N@H+](C)[C@H](CO)c1ccc(OC)cc1 ZINC000071904386 384145938 /nfs/dbraw/zinc/14/59/38/384145938.db2.gz SDARROYBZGPWSU-CQSZACIVSA-N 1 1 235.327 2.237 50 30 BEEAMO Cc1ccc(C)c(-c2csc(NC(N)=[NH2+])n2)c1 ZINC000058666725 385012760 /nfs/dbraw/zinc/01/27/60/385012760.db2.gz FKSFHQRVFVPYFB-UHFFFAOYSA-N 1 1 246.339 2.332 50 30 BEEAMO CC[C@H](CC#N)[NH2+]Cc1cccnc1C ZINC000097140662 386028344 /nfs/dbraw/zinc/02/83/44/386028344.db2.gz TWMXJJRIVPAMHL-GFCCVEGCSA-N 1 1 203.289 2.172 50 30 BEEAMO C=C(C)C[N@@H+](CCO)Cc1ccccc1 ZINC000049752619 386657058 /nfs/dbraw/zinc/65/70/58/386657058.db2.gz DAWCHHRBJSAGCY-UHFFFAOYSA-N 1 1 205.301 2.057 50 30 BEEAMO C=C(Cl)C[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000076325377 388397454 /nfs/dbraw/zinc/39/74/54/388397454.db2.gz SEAKPTHNCAOOEA-QWRGUYRKSA-N 1 1 217.740 2.364 50 30 BEEAMO C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000069809618 388427082 /nfs/dbraw/zinc/42/70/82/388427082.db2.gz GFSWFQKYQRKRQJ-DOMZBBRYSA-N 1 1 244.338 2.294 50 30 BEEAMO C=CC[N@H+](C)Cc1cccc(OC)c1OC ZINC000058129704 166323560 /nfs/dbraw/zinc/32/35/60/166323560.db2.gz GGYZMMIRXOMXMS-UHFFFAOYSA-N 1 1 221.300 2.322 50 30 BEEAMO N#Cc1cccc(O[C@@]23CC[N@@H+](C2)CCC3)c1 ZINC000067871379 411504652 /nfs/dbraw/zinc/50/46/52/411504652.db2.gz BZGQSRKTXUFVIO-AWEZNQCLSA-N 1 1 228.295 2.175 50 30 BEEAMO COc1ccc(OCC[N@H+](C)[C@H](C)CC#N)cc1 ZINC000049836457 175172612 /nfs/dbraw/zinc/17/26/12/175172612.db2.gz QIWNFDGFNLQQPQ-GFCCVEGCSA-N 1 1 248.326 2.308 50 30 BEEAMO COc1ccc(OCC[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000049836457 175172613 /nfs/dbraw/zinc/17/26/13/175172613.db2.gz QIWNFDGFNLQQPQ-GFCCVEGCSA-N 1 1 248.326 2.308 50 30 BEEAMO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)[C@H]1C ZINC000292940292 177263059 /nfs/dbraw/zinc/26/30/59/177263059.db2.gz HSBIDQSXWNRDAQ-QWRGUYRKSA-N 1 1 200.285 2.398 50 30 BEEAMO CC#CC[NH2+][C@@H](c1nnc2ccccn21)C(C)C ZINC000159608401 323040212 /nfs/dbraw/zinc/04/02/12/323040212.db2.gz LRAYMANWYNTOLJ-CYBMUJFWSA-N 1 1 242.326 2.039 50 30 BEEAMO CCC(CC)C(=O)ONC(=[NH2+])c1ccccc1 ZINC000004614136 521504580 /nfs/dbraw/zinc/50/45/80/521504580.db2.gz VGVBUOCMOAFTMJ-UHFFFAOYSA-N 1 1 234.299 2.286 50 30 BEEAMO C=CCn1cc(C[N@@H+]2C[C@@H]3CC[C@@H](C3)C2)cn1 ZINC000820505331 968476337 /nfs/dbraw/zinc/47/63/37/968476337.db2.gz PSKIPYNPYBCVRO-BETUJISGSA-N 1 1 231.343 2.301 50 30 BEEAMO CCO[C@@H]1C[C@H]([N@H+](C)CCC#N)C1(C)C ZINC000084800709 398344231 /nfs/dbraw/zinc/34/42/31/398344231.db2.gz FZHNXAAUUOWXDR-WDEREUQCSA-N 1 1 210.321 2.035 50 30 BEEAMO CCO[C@@H]1C[C@H]([N@@H+](C)CCC#N)C1(C)C ZINC000084800709 398344232 /nfs/dbraw/zinc/34/42/32/398344232.db2.gz FZHNXAAUUOWXDR-WDEREUQCSA-N 1 1 210.321 2.035 50 30 BEEAMO [NH3+][C@]1(c2ccccc2Cl)CCC=CC1=O ZINC000044136140 343493053 /nfs/dbraw/zinc/49/30/53/343493053.db2.gz BXBPJMHHWPXBJL-LBPRGKRZSA-N 1 1 221.687 2.413 50 30 in-vitro BEEAMO C=C(Cl)C[N@@H+]1CC[C@H](CSC)C1 ZINC000096417921 188016946 /nfs/dbraw/zinc/01/69/46/188016946.db2.gz XXESZRMPOVDMFZ-VIFPVBQESA-N 1 1 205.754 2.424 50 30 BEEAMO N#C[C@H]1[C@H]2CC[C@@H]1C[N@H+]2Cc1ccccc1 ZINC000034583623 181061655 /nfs/dbraw/zinc/06/16/55/181061655.db2.gz DMTKPZZTUOSAFQ-MGPQQGTHSA-N 1 1 212.296 2.421 50 30 BEEAMO N#C[C@H]1[C@H]2CC[C@@H]1C[N@@H+]2Cc1ccccc1 ZINC000034583623 181061656 /nfs/dbraw/zinc/06/16/56/181061656.db2.gz DMTKPZZTUOSAFQ-MGPQQGTHSA-N 1 1 212.296 2.421 50 30 BEEAMO CCCCCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000002160135 363337153 /nfs/dbraw/zinc/33/71/53/363337153.db2.gz BGQZAHIRBZUDOL-LBPRGKRZSA-N 1 1 226.364 2.154 50 30 BEEAMO C=C[C@H]1CCCC[N@@H+]1CCc1cnn(CC)c1 ZINC000390834767 371240143 /nfs/dbraw/zinc/24/01/43/371240143.db2.gz XZLKRIFNBSZCAB-AWEZNQCLSA-N 1 1 233.359 2.486 50 30 BEEAMO C[C@H](CC#N)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000222200103 386043828 /nfs/dbraw/zinc/04/38/28/386043828.db2.gz YYTHCYZDZCZJND-OLZOCXBDSA-N 1 1 244.342 2.118 50 30 BEEAMO C[C@H](CC#N)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000222200103 386043833 /nfs/dbraw/zinc/04/38/33/386043833.db2.gz YYTHCYZDZCZJND-OLZOCXBDSA-N 1 1 244.342 2.118 50 30 BEEAMO C#CC[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000065621864 388170633 /nfs/dbraw/zinc/17/06/33/388170633.db2.gz JDQWXZAZPITUFQ-GFCCVEGCSA-N 1 1 235.352 2.362 50 30 BEEAMO C#CC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000069463404 388416682 /nfs/dbraw/zinc/41/66/82/388416682.db2.gz QIEAGXUXFHWVOK-UHFFFAOYSA-N 1 1 227.307 2.215 50 30 BEEAMO C=C(C)C[N@H+]1CCCC[C@H]1Cn1cccn1 ZINC000069771463 388426546 /nfs/dbraw/zinc/42/65/46/388426546.db2.gz TZRMIDRYQYADHW-ZDUSSCGKSA-N 1 1 219.332 2.314 50 30 BEEAMO CC[C@@H](CC#N)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668540 388522032 /nfs/dbraw/zinc/52/20/32/388522032.db2.gz ZGUSQJUCYLOBAV-NSHDSACASA-N 1 1 233.271 2.377 50 30 BEEAMO Cc1cc(N(C)C)c(C#N)c(N2CCCCC2)[nH+]1 ZINC000000204329 132313206 /nfs/dbraw/zinc/31/32/06/132313206.db2.gz MRRUIJWUKZCIFL-UHFFFAOYSA-N 1 1 244.342 2.318 50 30 BEEAMO C#CC[N@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000096455327 166169435 /nfs/dbraw/zinc/16/94/35/166169435.db2.gz NDXQDJPAFBWKDZ-NSHDSACASA-N 1 1 203.285 2.408 50 30 BEEAMO C=CCCC[N@@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000035287504 166234202 /nfs/dbraw/zinc/23/42/02/166234202.db2.gz VQQQGEOEVKXBTD-GFCCVEGCSA-N 1 1 225.332 2.228 50 30 BEEAMO Cc1[nH]c(C[NH+]2CCC(C)(C#N)CC2)cc1C#N ZINC000670472388 487532414 /nfs/dbraw/zinc/53/24/14/487532414.db2.gz RXSVHTOVIPLCDT-UHFFFAOYSA-N 1 1 242.326 2.320 50 30 BEEAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@H](C)CC#N ZINC000247441804 527662598 /nfs/dbraw/zinc/66/25/98/527662598.db2.gz ZZXRSXYBAWOIAP-ZWNOBZJWSA-N 1 1 246.358 2.476 50 30 BEEAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@H](C)CC#N ZINC000247441804 527662601 /nfs/dbraw/zinc/66/26/01/527662601.db2.gz ZZXRSXYBAWOIAP-ZWNOBZJWSA-N 1 1 246.358 2.476 50 30 BEEAMO C#CCN1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000052184801 585037162 /nfs/dbraw/zinc/03/71/62/585037162.db2.gz FZIZLXPNIHCSQR-UHFFFAOYSA-N 1 1 234.387 2.064 50 30 BEEAMO C=C(Br)C[N@H+]1CCC[C@H](OCC)C1 ZINC000071915930 342795836 /nfs/dbraw/zinc/79/58/36/342795836.db2.gz YKWKSMQTBXGRSM-JTQLQIEISA-N 1 1 248.164 2.396 50 30 BEEAMO C=C(Br)C[N@@H+]1CCC[C@H](OCC)C1 ZINC000071915930 342795837 /nfs/dbraw/zinc/79/58/37/342795837.db2.gz YKWKSMQTBXGRSM-JTQLQIEISA-N 1 1 248.164 2.396 50 30 BEEAMO C=C(C)[C@@H]1CC[C@H](C)O[C@H]1C[NH+]1CCOCC1 ZINC000033319395 344208999 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/nfs/dbraw/zinc/00/27/54/188002754.db2.gz IIRXVYCZSANUBQ-LLVKDONJSA-N 1 1 245.322 2.256 50 30 BEEAMO C=C(C)C[N@@H+](CC)Cc1ccoc1C(=O)OC ZINC000040475812 188397474 /nfs/dbraw/zinc/39/74/74/188397474.db2.gz NIINDQKNYAIOBT-UHFFFAOYSA-N 1 1 237.299 2.464 50 30 BEEAMO C=C(C)C[N@H+](CC)Cc1ccoc1C(=O)OC ZINC000040475812 188397476 /nfs/dbraw/zinc/39/74/76/188397476.db2.gz NIINDQKNYAIOBT-UHFFFAOYSA-N 1 1 237.299 2.464 50 30 BEEAMO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2CO)c1 ZINC000042295404 181112965 /nfs/dbraw/zinc/11/29/65/181112965.db2.gz BXEROSOMGPRQIP-CYBMUJFWSA-N 1 1 248.301 2.044 50 30 BEEAMO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000042295404 181112966 /nfs/dbraw/zinc/11/29/66/181112966.db2.gz BXEROSOMGPRQIP-CYBMUJFWSA-N 1 1 248.301 2.044 50 30 BEEAMO CC1(C)C[N@@H+](Cc2ccccc2C#N)C[C@]1(C)O ZINC000091595666 369466837 /nfs/dbraw/zinc/46/68/37/369466837.db2.gz RXWSCZRBFXXCKQ-HNNXBMFYSA-N 1 1 244.338 2.151 50 30 BEEAMO CCC[N@H+]1CC[C@@H](CNc2ccc(C#N)cn2)C1 ZINC000097159670 169206296 /nfs/dbraw/zinc/20/62/96/169206296.db2.gz XEDPOPVLNGWMBN-ZDUSSCGKSA-N 1 1 244.342 2.097 50 30 BEEAMO C=CCCCCC[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000408514818 384270602 /nfs/dbraw/zinc/27/06/02/384270602.db2.gz OHRAWWOIQIHVBS-IUODEOHRSA-N 1 1 229.389 2.186 50 30 BEEAMO C=CCCCCC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000408514818 384270609 /nfs/dbraw/zinc/27/06/09/384270609.db2.gz OHRAWWOIQIHVBS-IUODEOHRSA-N 1 1 229.389 2.186 50 30 BEEAMO C=C(C)[C@@H]1CC[C@@H](C)O[C@H]1C[NH+]1CCOCC1 ZINC000033927953 384701362 /nfs/dbraw/zinc/70/13/62/384701362.db2.gz MICUGXWKYVNMTG-RDBSUJKOSA-N 1 1 239.359 2.078 50 30 BEEAMO C=C(Cl)C[N@@H+](CC(C)(C)O)C(C)C ZINC000096473873 387465134 /nfs/dbraw/zinc/46/51/34/387465134.db2.gz CEBSXZFJDBESQV-UHFFFAOYSA-N 1 1 205.729 2.220 50 30 BEEAMO COc1c(C)c[nH+]c(CN(CC#N)C2CC2)c1C ZINC000069743442 388426079 /nfs/dbraw/zinc/42/60/79/388426079.db2.gz UYDBYBCYTOVODU-UHFFFAOYSA-N 1 1 245.326 2.195 50 30 BEEAMO Cn1cc([C@@H]2CCC[N@H+]2CCCCC#N)cn1 ZINC000069808069 388427114 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BEEAMO CC(C)[N@@H+](CC#C[C@H](C)O)Cc1ccccc1 ZINC000002472969 386675188 /nfs/dbraw/zinc/67/51/88/386675188.db2.gz JESMPIWGMKDYSZ-AWEZNQCLSA-N 1 1 231.339 2.281 50 30 BEEAMO C#CC[N@H+](CC)Cc1ccc(OC)c(OC)c1 ZINC000096001425 388801808 /nfs/dbraw/zinc/80/18/08/388801808.db2.gz ZSQCBOVGOSSRSV-UHFFFAOYSA-N 1 1 233.311 2.159 50 30 BEEAMO C#CC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000061991202 166171869 /nfs/dbraw/zinc/17/18/69/166171869.db2.gz KYMRYIRSWDUKBO-ZDUSSCGKSA-N 1 1 200.285 2.242 50 30 biogenic BEEAMO C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN(C)C1 ZINC000097375062 166292701 /nfs/dbraw/zinc/29/27/01/166292701.db2.gz QNXTVERVVBVFPF-CHWSQXEVSA-N 1 1 210.365 2.273 50 30 BEEAMO C=CC[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000075132377 166354709 /nfs/dbraw/zinc/35/47/09/166354709.db2.gz LAFKBBVBFYUMDX-LBPRGKRZSA-N 1 1 219.332 2.360 50 30 BEEAMO C=CCN1CC[N@@H+](CC=C)[C@@H](CCC)C1 ZINC000089950027 166356887 /nfs/dbraw/zinc/35/68/87/166356887.db2.gz WOIOWEAZWCPXIP-ZDUSSCGKSA-N 1 1 208.349 2.145 50 30 BEEAMO C=CCN1CC[N@@H+](CC=C)C[C@@H]1CCC ZINC000089950027 166356889 /nfs/dbraw/zinc/35/68/89/166356889.db2.gz WOIOWEAZWCPXIP-ZDUSSCGKSA-N 1 1 208.349 2.145 50 30 BEEAMO C=CCN1CC[N@H+](CC=C)C[C@@H]1CCC ZINC000089950027 166356892 /nfs/dbraw/zinc/35/68/92/166356892.db2.gz WOIOWEAZWCPXIP-ZDUSSCGKSA-N 1 1 208.349 2.145 50 30 BEEAMO N#Cc1cccc(C[N@@H+]2CCCCC[C@H]2CO)c1 ZINC000133522335 411186029 /nfs/dbraw/zinc/18/60/29/411186029.db2.gz KOCLQJDRXICCKW-HNNXBMFYSA-N 1 1 244.338 2.295 50 30 BEEAMO C[NH+]1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000019901912 173095697 /nfs/dbraw/zinc/09/56/97/173095697.db2.gz DWQGUJWNMXTEOA-CYBMUJFWSA-N 1 1 249.745 2.152 50 30 BEEAMO COCC[N@H+](CCCC#N)Cc1ccco1 ZINC000051739052 174291452 /nfs/dbraw/zinc/29/14/52/174291452.db2.gz HISYBLXMBAZIDW-UHFFFAOYSA-N 1 1 222.288 2.032 50 30 BEEAMO COCC[N@@H+](CCCC#N)Cc1ccco1 ZINC000051739052 174291454 /nfs/dbraw/zinc/29/14/54/174291454.db2.gz HISYBLXMBAZIDW-UHFFFAOYSA-N 1 1 222.288 2.032 50 30 BEEAMO C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000019482251 176303084 /nfs/dbraw/zinc/30/30/84/176303084.db2.gz WOBNYJJHTJFBJI-VXGBXAGGSA-N 1 1 230.311 2.167 50 30 BEEAMO C=C(Cl)C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000084544137 488058229 /nfs/dbraw/zinc/05/82/29/488058229.db2.gz DEOMORHIRQQSGO-GFCCVEGCSA-N 1 1 245.750 2.009 50 30 BEEAMO C[C@@H](O)[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000097162232 490326164 /nfs/dbraw/zinc/32/61/64/490326164.db2.gz FTCRBVXASDEVFN-OLZOCXBDSA-N 1 1 238.375 2.409 50 30 BEEAMO C#CC[N@@H+](CC)CC(=O)NCc1cccs1 ZINC000032751357 518257561 /nfs/dbraw/zinc/25/75/61/518257561.db2.gz NEOJQNSQVFDNCB-UHFFFAOYSA-N 1 1 236.340 2.160 50 30 BEEAMO C#CC[N@H+](CC)CC(=O)NCc1cccs1 ZINC000032751357 518257566 /nfs/dbraw/zinc/25/75/66/518257566.db2.gz NEOJQNSQVFDNCB-UHFFFAOYSA-N 1 1 236.340 2.160 50 30 BEEAMO C=CC[C@@H]1C=CC[C@@H](CC=C)[N@@H+]1CCO ZINC000004157099 635790397 /nfs/dbraw/zinc/79/03/97/635790397.db2.gz SVGVOQWEUWSJNS-CHWSQXEVSA-N 1 1 207.317 2.130 50 30 BEEAMO C=CC[C@@H]1CC=C[C@H](CC=C)[N@H+]1CCO ZINC000000264988 643073633 /nfs/dbraw/zinc/07/36/33/643073633.db2.gz SVGVOQWEUWSJNS-QWHCGFSZSA-N 1 1 207.317 2.130 50 30 BEEAMO CC[N@@H+](Cc1ccccc1C#N)[C@@H](C)COC ZINC000042252178 361978029 /nfs/dbraw/zinc/97/80/29/361978029.db2.gz HPGWQKCJXRUMSI-LBPRGKRZSA-N 1 1 232.327 2.415 50 30 BEEAMO C[N@H+](CCCCC#N)Cc1cscn1 ZINC000042865486 362033934 /nfs/dbraw/zinc/03/39/34/362033934.db2.gz WHRZVJWDWZBPQE-UHFFFAOYSA-N 1 1 209.318 2.269 50 30 BEEAMO C[N@@H+](CCCCC#N)Cc1cscn1 ZINC000042865486 362033947 /nfs/dbraw/zinc/03/39/47/362033947.db2.gz WHRZVJWDWZBPQE-UHFFFAOYSA-N 1 1 209.318 2.269 50 30 BEEAMO C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN(C)C1 ZINC000097375059 166300175 /nfs/dbraw/zinc/30/01/75/166300175.db2.gz QNXTVERVVBVFPF-STQMWFEESA-N 1 1 210.365 2.273 50 30 BEEAMO COCC#CC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000061992905 188183387 /nfs/dbraw/zinc/18/33/87/188183387.db2.gz JDJGEVXRUBNJGO-HNNXBMFYSA-N 1 1 244.338 2.258 50 30 biogenic BEEAMO COCC#CC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000061992905 188183389 /nfs/dbraw/zinc/18/33/89/188183389.db2.gz JDJGEVXRUBNJGO-HNNXBMFYSA-N 1 1 244.338 2.258 50 30 biogenic BEEAMO C=C(Cl)CN1CC[C@H](C[N@H+](C)CCC)C1 ZINC000096452801 188188324 /nfs/dbraw/zinc/18/83/24/188188324.db2.gz UZZROWZDMFPBLE-GFCCVEGCSA-N 1 1 230.783 2.403 50 30 BEEAMO N#CC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000039214378 181044942 /nfs/dbraw/zinc/04/49/42/181044942.db2.gz HYBXAXKMVJEWHM-CYBMUJFWSA-N 1 1 200.285 2.422 50 30 BEEAMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CO)c(F)c1 ZINC000042338688 181103036 /nfs/dbraw/zinc/10/30/36/181103036.db2.gz NPTDRKHYHIVVTC-ZDUSSCGKSA-N 1 1 248.301 2.044 50 30 BEEAMO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2CO)c1 ZINC000042295409 181112738 /nfs/dbraw/zinc/11/27/38/181112738.db2.gz BXEROSOMGPRQIP-ZDUSSCGKSA-N 1 1 248.301 2.044 50 30 BEEAMO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2CO)c1 ZINC000042295409 181112740 /nfs/dbraw/zinc/11/27/40/181112740.db2.gz BXEROSOMGPRQIP-ZDUSSCGKSA-N 1 1 248.301 2.044 50 30 BEEAMO COc1ccc(-c2cc([NH+]=CN(C)C)n[nH]2)cc1 ZINC000013363614 538799011 /nfs/dbraw/zinc/79/90/11/538799011.db2.gz PNNPDTLFMMMOHX-NTEUORMPSA-N 1 1 244.298 2.307 50 30 BEEAMO CC[N@H+]1CCC[C@@H]1Cn1c(C)c(C)c(C#N)c1N ZINC000006668659 360560646 /nfs/dbraw/zinc/56/06/46/360560646.db2.gz CWJUITMVGMPALY-GFCCVEGCSA-N 1 1 246.358 2.043 50 30 BEEAMO N#CCCCC[N@H+]1CCC[C@H]1Cn1cccn1 ZINC000071875744 374319734 /nfs/dbraw/zinc/31/97/34/374319734.db2.gz IPKGSJBMXQWZFR-ZDUSSCGKSA-N 1 1 232.331 2.041 50 30 BEEAMO CC[C@@H](CC#N)[NH2+]Cc1ccc(C#N)cc1 ZINC000037749085 384005942 /nfs/dbraw/zinc/00/59/42/384005942.db2.gz BKSVUFBMUHCWIT-ZDUSSCGKSA-N 1 1 213.284 2.340 50 30 BEEAMO C=C(Br)C[N@@H+](CCCCO)C1CC1 ZINC000071921841 384199918 /nfs/dbraw/zinc/19/99/18/384199918.db2.gz CZYLJETTYMITJR-UHFFFAOYSA-N 1 1 248.164 2.132 50 30 BEEAMO C=C(Br)C[N@H+](CCCCO)C1CC1 ZINC000071921841 384199922 /nfs/dbraw/zinc/19/99/22/384199922.db2.gz CZYLJETTYMITJR-UHFFFAOYSA-N 1 1 248.164 2.132 50 30 BEEAMO C=C(Cl)C[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000096447070 385173464 /nfs/dbraw/zinc/17/34/64/385173464.db2.gz AFVUPVUAGYJLBA-LLVKDONJSA-N 1 1 239.750 2.037 50 30 BEEAMO C=C(Cl)C[N@@H+](CC)C[C@H]1CCOC1 ZINC000052072308 385640246 /nfs/dbraw/zinc/64/02/46/385640246.db2.gz ZYLIYHABYVZALL-SNVBAGLBSA-N 1 1 203.713 2.097 50 30 BEEAMO C=C(C)C[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000089914045 387189771 /nfs/dbraw/zinc/18/97/71/387189771.db2.gz DNHZSLPMBOKVIP-CQSZACIVSA-N 1 1 244.338 2.126 50 30 BEEAMO C=C(C)C[N@H+](C)[C@@H]1CCc2ccccc2NC1=O ZINC000192167533 387356056 /nfs/dbraw/zinc/35/60/56/387356056.db2.gz NXJJXRGQKJXRFU-CQSZACIVSA-N 1 1 244.338 2.448 50 30 BEEAMO C=C(C)C[NH+]1CCN(CCc2ccccc2)CC1 ZINC000055105903 388660115 /nfs/dbraw/zinc/66/01/15/388660115.db2.gz VCHAXKGOIZAFJL-UHFFFAOYSA-N 1 1 244.382 2.423 50 30 BEEAMO C=CC[NH+]1CCN(c2ccccc2F)CC1 ZINC000040162227 132223496 /nfs/dbraw/zinc/22/34/96/132223496.db2.gz JOBARKCCBZJNDP-UHFFFAOYSA-N 1 1 220.291 2.134 50 30 BEEAMO C=CC[NH+]1CCN(c2ccccc2OCC)CC1 ZINC000040162231 132223310 /nfs/dbraw/zinc/22/33/10/132223310.db2.gz QMMCHECPIFNEQD-UHFFFAOYSA-N 1 1 246.354 2.393 50 30 BEEAMO N#Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2C#N)ccc1F ZINC000236206166 135056662 /nfs/dbraw/zinc/05/66/62/135056662.db2.gz ILIBDTFAHUHXFD-BXUZGUMPSA-N 1 1 243.285 2.479 50 30 BEEAMO N#Cc1cc(C[NH2+][C@H]2CCC[C@@H]2C#N)ccc1F ZINC000236208428 135057016 /nfs/dbraw/zinc/05/70/16/135057016.db2.gz ILIBDTFAHUHXFD-RISCZKNCSA-N 1 1 243.285 2.479 50 30 BEEAMO N#Cc1cc(C[NH2+][C@@H]2CCC[C@H]2C#N)ccc1F ZINC000236206381 135057610 /nfs/dbraw/zinc/05/76/10/135057610.db2.gz ILIBDTFAHUHXFD-SMDDNHRTSA-N 1 1 243.285 2.479 50 30 BEEAMO C=CCCC[NH2+]C1(c2noc(C)n2)CCC1 ZINC000120434481 166242032 /nfs/dbraw/zinc/24/20/32/166242032.db2.gz LLAPWPYOGUMNMS-UHFFFAOYSA-N 1 1 221.304 2.313 50 30 BEEAMO CCN1CC[C@@H]([NH2+]CCCCC#N)[C@H](C)C1 ZINC000095967669 170012940 /nfs/dbraw/zinc/01/29/40/170012940.db2.gz VOAHUURMKHNKBP-CHWSQXEVSA-N 1 1 223.364 2.000 50 30 BEEAMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CC#N ZINC000077371677 177265452 /nfs/dbraw/zinc/26/54/52/177265452.db2.gz IWTJNJZYNZMQQE-AWEZNQCLSA-N 1 1 243.354 2.106 50 30 BEEAMO C=C(Cl)CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000096447065 518649003 /nfs/dbraw/zinc/64/90/03/518649003.db2.gz UHADGZYLTXVIGG-ZDUSSCGKSA-N 1 1 242.794 2.403 50 30 BEEAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H](C)CC#N ZINC000072253580 180349421 /nfs/dbraw/zinc/34/94/21/180349421.db2.gz ZZXRSXYBAWOIAP-GXFFZTMASA-N 1 1 246.358 2.476 50 30 BEEAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@@H](C)CC#N ZINC000072253580 180349425 /nfs/dbraw/zinc/34/94/25/180349425.db2.gz ZZXRSXYBAWOIAP-GXFFZTMASA-N 1 1 246.358 2.476 50 30 BEEAMO CC(C)[N@@H+](CC#C[C@@H](C)O)Cc1ccccc1 ZINC000002472278 188101079 /nfs/dbraw/zinc/10/10/79/188101079.db2.gz JESMPIWGMKDYSZ-CQSZACIVSA-N 1 1 231.339 2.281 50 30 BEEAMO C=C(Br)C[N@H+]1CCCC[C@H]1[C@@H](C)O ZINC000069738346 188132849 /nfs/dbraw/zinc/13/28/49/188132849.db2.gz WFRBMWGCVNAFEP-ZJUUUORDSA-N 1 1 248.164 2.130 50 30 BEEAMO C=C(Br)C[N@@H+]1CCCC[C@H]1[C@@H](C)O ZINC000069738346 188132851 /nfs/dbraw/zinc/13/28/51/188132851.db2.gz WFRBMWGCVNAFEP-ZJUUUORDSA-N 1 1 248.164 2.130 50 30 BEEAMO CC1(C)CN(CC#N)CC[N@H+]1Cc1ccccc1 ZINC000069780345 373761504 /nfs/dbraw/zinc/76/15/04/373761504.db2.gz KPBURQNMQKXGCB-UHFFFAOYSA-N 1 1 243.354 2.106 50 30 BEEAMO Oc1ccccc1C=NNc1cc[nH+]cc1 ZINC000006829285 183300323 /nfs/dbraw/zinc/30/03/23/183300323.db2.gz BOADIDAZRTZJJY-NTEUORMPSA-N 1 1 213.240 2.233 50 30 BEEAMO C=C(Br)C[N@@H+]1CCCSCC1 ZINC000089981597 387187970 /nfs/dbraw/zinc/18/79/70/387187970.db2.gz ZLTAPXJVKJYHGV-UHFFFAOYSA-N 1 1 236.178 2.334 50 30 BEEAMO C=C(Br)C[N@H+]1CCCSCC1 ZINC000089981597 387187975 /nfs/dbraw/zinc/18/79/75/387187975.db2.gz ZLTAPXJVKJYHGV-UHFFFAOYSA-N 1 1 236.178 2.334 50 30 BEEAMO C=C(Cl)C[N@@H+]1CCCC[C@H]1[C@H](O)CC ZINC000076325381 388397231 /nfs/dbraw/zinc/39/72/31/388397231.db2.gz SEAKPTHNCAOOEA-WDEREUQCSA-N 1 1 217.740 2.364 50 30 BEEAMO C=C(Br)C[N@H+]1CCCC[C@H]1[C@H](C)O ZINC000069738345 388425681 /nfs/dbraw/zinc/42/56/81/388425681.db2.gz WFRBMWGCVNAFEP-UWVGGRQHSA-N 1 1 248.164 2.130 50 30 BEEAMO C=C(Br)C[N@@H+]1CCCC[C@H]1[C@H](C)O ZINC000069738345 388425685 /nfs/dbraw/zinc/42/56/85/388425685.db2.gz WFRBMWGCVNAFEP-UWVGGRQHSA-N 1 1 248.164 2.130 50 30 BEEAMO CC[C@H](CC#N)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668541 388521669 /nfs/dbraw/zinc/52/16/69/388521669.db2.gz ZGUSQJUCYLOBAV-LLVKDONJSA-N 1 1 233.271 2.377 50 30 BEEAMO Cn1c[nH+]cc1CCNc1cccc(F)c1C#N ZINC000097108384 388834204 /nfs/dbraw/zinc/83/42/04/388834204.db2.gz FWKXJISBDHDSIG-UHFFFAOYSA-N 1 1 244.273 2.085 50 30 BEEAMO N#Cc1cc(C[NH2+][C@H]2CCC[C@H]2C#N)ccc1F ZINC000236208651 135056803 /nfs/dbraw/zinc/05/68/03/135056803.db2.gz ILIBDTFAHUHXFD-FZMZJTMJSA-N 1 1 243.285 2.479 50 30 BEEAMO N#Cc1cccc(C[N@@H+]2CCCCC[C@@H]2CO)c1 ZINC000133522113 411185905 /nfs/dbraw/zinc/18/59/05/411185905.db2.gz KOCLQJDRXICCKW-OAHLLOKOSA-N 1 1 244.338 2.295 50 30 BEEAMO CCOCC[N@@H+](C)Cc1cc(C#N)cs1 ZINC000096499942 170389763 /nfs/dbraw/zinc/38/97/63/170389763.db2.gz DIRDSLWCVQBKMQ-UHFFFAOYSA-N 1 1 224.329 2.088 50 30 BEEAMO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000035216058 171088557 /nfs/dbraw/zinc/08/85/57/171088557.db2.gz FPSBBFMEQDRWHW-CQSZACIVSA-N 1 1 230.311 2.169 50 30 BEEAMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000035216058 171088558 /nfs/dbraw/zinc/08/85/58/171088558.db2.gz FPSBBFMEQDRWHW-CQSZACIVSA-N 1 1 230.311 2.169 50 30 BEEAMO C[N@H+]1CCCN(c2ccc(C#N)cc2Cl)CC1 ZINC000062793617 173015716 /nfs/dbraw/zinc/01/57/16/173015716.db2.gz PEIQRDFWKKDICG-UHFFFAOYSA-N 1 1 249.745 2.354 50 30 BEEAMO C[C@H]1CCN(CC#N)CC[N@H+]1Cc1ccccc1 ZINC000076089728 177157430 /nfs/dbraw/zinc/15/74/30/177157430.db2.gz XYLHTFXAUIULGD-AWEZNQCLSA-N 1 1 243.354 2.106 50 30 BEEAMO C[N@@H+](Cc1cccc(C#N)c1)CC1(CO)CCC1 ZINC000670444599 487492143 /nfs/dbraw/zinc/49/21/43/487492143.db2.gz PGVXIBYQNABXGB-UHFFFAOYSA-N 1 1 244.338 2.153 50 30 BEEAMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C#N ZINC000253604080 525010917 /nfs/dbraw/zinc/01/09/17/525010917.db2.gz SNGFETKZDQWILI-DGCLKSJQSA-N 1 1 200.285 2.278 50 30 BEEAMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C#N ZINC000253604080 525010933 /nfs/dbraw/zinc/01/09/33/525010933.db2.gz SNGFETKZDQWILI-DGCLKSJQSA-N 1 1 200.285 2.278 50 30 BEEAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@H](C)CC#N ZINC000247441795 527660639 /nfs/dbraw/zinc/66/06/39/527660639.db2.gz ZZXRSXYBAWOIAP-MFKMUULPSA-N 1 1 246.358 2.476 50 30 BEEAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@H](C)CC#N ZINC000247441795 527660642 /nfs/dbraw/zinc/66/06/42/527660642.db2.gz ZZXRSXYBAWOIAP-MFKMUULPSA-N 1 1 246.358 2.476 50 30 BEEAMO CO/[NH+]=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004014744 398327813 /nfs/dbraw/zinc/32/78/13/398327813.db2.gz KSRSBRVDFSXNNR-UKTHLTGXSA-N 1 1 249.270 2.175 50 30 BEEAMO C=C(Cl)C[N@H+]1CCC[C@@H](OCC)C1 ZINC000071915927 343640681 /nfs/dbraw/zinc/64/06/81/343640681.db2.gz WKILAQFDPYYZDF-SNVBAGLBSA-N 1 1 203.713 2.240 50 30 BEEAMO C=C(Cl)C[N@@H+]1CCC[C@@H](OCC)C1 ZINC000071915927 343640684 /nfs/dbraw/zinc/64/06/84/343640684.db2.gz WKILAQFDPYYZDF-SNVBAGLBSA-N 1 1 203.713 2.240 50 30 BEEAMO C=C(C)C[N@@H+](Cc1ccccc1)[C@H](C)CO ZINC000096441567 343738715 /nfs/dbraw/zinc/73/87/15/343738715.db2.gz MYHYQOWBBYZIDE-CYBMUJFWSA-N 1 1 219.328 2.446 50 30 BEEAMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CO)c(F)c1 ZINC000042338685 188119302 /nfs/dbraw/zinc/11/93/02/188119302.db2.gz NPTDRKHYHIVVTC-CYBMUJFWSA-N 1 1 248.301 2.044 50 30 BEEAMO N#C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000037245630 181059142 /nfs/dbraw/zinc/05/91/42/181059142.db2.gz RNWAFQDLIHHQAP-ZDUSSCGKSA-N 1 1 200.285 2.422 50 30 BEEAMO N#C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000037245630 181059144 /nfs/dbraw/zinc/05/91/44/181059144.db2.gz RNWAFQDLIHHQAP-ZDUSSCGKSA-N 1 1 200.285 2.422 50 30 BEEAMO C=C(C)[C@@H]1CC[C@H](C)O[C@@H]1C[NH+]1CCOCC1 ZINC000013756655 188585667 /nfs/dbraw/zinc/58/56/67/188585667.db2.gz MICUGXWKYVNMTG-MELADBBJSA-N 1 1 239.359 2.078 50 30 BEEAMO CCC[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000047726343 169168309 /nfs/dbraw/zinc/16/83/09/169168309.db2.gz VYIUSMOQVQNVLB-UHFFFAOYSA-N 1 1 232.327 2.417 50 30 BEEAMO CO/[NH+]=C\c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000005658030 384124824 /nfs/dbraw/zinc/12/48/24/384124824.db2.gz WJLRCPSXMPPQIV-LCYFTJDESA-N 1 1 249.270 2.175 50 30 BEEAMO Cc1noc(C)c1C[N@H+](C)CCCC#N ZINC000051705770 385886035 /nfs/dbraw/zinc/88/60/35/385886035.db2.gz KWIVHCRGTRVYDC-UHFFFAOYSA-N 1 1 207.277 2.027 50 30 BEEAMO Cc1noc(C)c1C[N@@H+](C)CCCC#N ZINC000051705770 385886039 /nfs/dbraw/zinc/88/60/39/385886039.db2.gz KWIVHCRGTRVYDC-UHFFFAOYSA-N 1 1 207.277 2.027 50 30 BEEAMO CC(C)CO[C@H]1CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000089840278 388369252 /nfs/dbraw/zinc/36/92/52/388369252.db2.gz VUTPOFIPOQVRSH-KBPBESRZSA-N 1 1 249.358 2.177 50 30 BEEAMO CC(C)CO[C@H]1CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000089840278 388369254 /nfs/dbraw/zinc/36/92/54/388369254.db2.gz VUTPOFIPOQVRSH-KBPBESRZSA-N 1 1 249.358 2.177 50 30 BEEAMO C=CC[N@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000048343691 166323509 /nfs/dbraw/zinc/32/35/09/166323509.db2.gz IYOFMUVHZOJOAB-UHFFFAOYSA-N 1 1 221.300 2.322 50 30 BEEAMO C=CCN1CC[N@@H+](CC=C)[C@H](CCC)C1 ZINC000089950026 166355812 /nfs/dbraw/zinc/35/58/12/166355812.db2.gz WOIOWEAZWCPXIP-CYBMUJFWSA-N 1 1 208.349 2.145 50 30 BEEAMO C=CCN1CC[N@@H+](CC=C)C[C@H]1CCC ZINC000089950026 166355814 /nfs/dbraw/zinc/35/58/14/166355814.db2.gz WOIOWEAZWCPXIP-CYBMUJFWSA-N 1 1 208.349 2.145 50 30 BEEAMO C=CCN1CC[N@H+](CC=C)C[C@H]1CCC ZINC000089950026 166355817 /nfs/dbraw/zinc/35/58/17/166355817.db2.gz WOIOWEAZWCPXIP-CYBMUJFWSA-N 1 1 208.349 2.145 50 30 BEEAMO CCc1nnc(NC(=O)C[NH+](CC)CC)s1 ZINC000021539680 172045080 /nfs/dbraw/zinc/04/50/80/172045080.db2.gz SLLMKMZNYHLDDE-UHFFFAOYSA-N 1 1 242.348 2.030 50 30 BEEAMO C[C@H](O)[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000097162231 177015097 /nfs/dbraw/zinc/01/50/97/177015097.db2.gz FTCRBVXASDEVFN-STQMWFEESA-N 1 1 238.375 2.409 50 30 BEEAMO CCC#CC[N@H+](C)Cc1cnc2ccccc2n1 ZINC000670452384 487505549 /nfs/dbraw/zinc/50/55/49/487505549.db2.gz SPCGGPUTALQJML-UHFFFAOYSA-N 1 1 239.322 2.475 50 30 BEEAMO CCC#CC[N@@H+](C)Cc1cnc2ccccc2n1 ZINC000670452384 487505552 /nfs/dbraw/zinc/50/55/52/487505552.db2.gz SPCGGPUTALQJML-UHFFFAOYSA-N 1 1 239.322 2.475 50 30 BEEAMO CCO[NH+]=Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000254567488 642730866 /nfs/dbraw/zinc/73/08/66/642730866.db2.gz QRKXXRAEBLYLCH-UHFFFAOYSA-N 1 1 223.232 2.007 50 30 BEEAMO C=C(Cl)C[N@H+]1CCC[C@H](OCC)C1 ZINC000071915928 343640916 /nfs/dbraw/zinc/64/09/16/343640916.db2.gz WKILAQFDPYYZDF-JTQLQIEISA-N 1 1 203.713 2.240 50 30 BEEAMO C=C(Cl)C[N@@H+]1CCC[C@H](OCC)C1 ZINC000071915928 343640918 /nfs/dbraw/zinc/64/09/18/343640918.db2.gz WKILAQFDPYYZDF-JTQLQIEISA-N 1 1 203.713 2.240 50 30 BEEAMO C[C@@H](O)C#CC[N@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000000526010 346977612 /nfs/dbraw/zinc/97/76/12/346977612.db2.gz SNUQBXRXMIXVHA-UMVBOHGHSA-N 1 1 235.371 2.271 50 30 biogenic BEEAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCCC#N ZINC000072253559 180347275 /nfs/dbraw/zinc/34/72/75/180347275.db2.gz JHHHYCXKMYNEDE-ZDUSSCGKSA-N 1 1 246.358 2.478 50 30 BEEAMO C=C(Br)C[N@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000069738348 188132684 /nfs/dbraw/zinc/13/26/84/188132684.db2.gz WFRBMWGCVNAFEP-NXEZZACHSA-N 1 1 248.164 2.130 50 30 BEEAMO C=C(Br)C[N@@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000069738348 188132685 /nfs/dbraw/zinc/13/26/85/188132685.db2.gz WFRBMWGCVNAFEP-NXEZZACHSA-N 1 1 248.164 2.130 50 30 BEEAMO C[N@@H+](CCCC#N)Cc1cccc(C#N)c1 ZINC000045915395 353281053 /nfs/dbraw/zinc/28/10/53/353281053.db2.gz AXYVBDKGICOMGI-UHFFFAOYSA-N 1 1 213.284 2.294 50 30 BEEAMO N#Cc1cccc(C[N@H+]2CCC[C@H]3OCC[C@H]32)c1 ZINC000241124215 181137242 /nfs/dbraw/zinc/13/72/42/181137242.db2.gz JGLFHXYTQKOVTJ-HUUCEWRRSA-N 1 1 242.322 2.312 50 30 BEEAMO [NH2+]=C(NOC(=O)c1cccs1)c1ccccc1 ZINC000004833062 181182921 /nfs/dbraw/zinc/18/29/21/181182921.db2.gz MRCLIPQMZZXXRE-UHFFFAOYSA-N 1 1 246.291 2.225 50 30 BEEAMO C=C(Cl)C[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000095432283 538603318 /nfs/dbraw/zinc/60/33/18/538603318.db2.gz IXDXHDMNQYAUDI-UHFFFAOYSA-N 1 1 245.750 2.214 50 30 BEEAMO N#CCCCC[N@H+]1CCC[C@@H]1Cn1cccn1 ZINC000071875745 374320012 /nfs/dbraw/zinc/32/00/12/374320012.db2.gz IPKGSJBMXQWZFR-CYBMUJFWSA-N 1 1 232.331 2.041 50 30 BEEAMO Cc1[nH+]ccn1Cc1cccc(C#N)c1F ZINC000225769751 134357200 /nfs/dbraw/zinc/35/72/00/134357200.db2.gz KPFNINHBWSEUAX-UHFFFAOYSA-N 1 1 215.231 2.251 50 30 BEEAMO C#CC[N@@H+]1CCC[C@]2(CCOC(C)(C)C2)C1 ZINC000061999348 385023862 /nfs/dbraw/zinc/02/38/62/385023862.db2.gz ORIYYODJNDTELE-CQSZACIVSA-N 1 1 221.344 2.291 50 30 biogenic BEEAMO C=C(Cl)C[N@@H+]1CC[C@@H](CSC)C1 ZINC000096417920 385140549 /nfs/dbraw/zinc/14/05/49/385140549.db2.gz XXESZRMPOVDMFZ-SECBINFHSA-N 1 1 205.754 2.424 50 30 BEEAMO C[C@@H](CC#N)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000222200037 386044710 /nfs/dbraw/zinc/04/47/10/386044710.db2.gz YYTHCYZDZCZJND-STQMWFEESA-N 1 1 244.342 2.118 50 30 BEEAMO C[C@@H](CC#N)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000222200037 386044715 /nfs/dbraw/zinc/04/47/15/386044715.db2.gz YYTHCYZDZCZJND-STQMWFEESA-N 1 1 244.342 2.118 50 30 BEEAMO CC(C)CO[C@@H]1CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000229880759 387199493 /nfs/dbraw/zinc/19/94/93/387199493.db2.gz VUTPOFIPOQVRSH-ZIAGYGMSSA-N 1 1 249.358 2.177 50 30 BEEAMO CC(C)CO[C@@H]1CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000229880759 387199501 /nfs/dbraw/zinc/19/95/01/387199501.db2.gz VUTPOFIPOQVRSH-ZIAGYGMSSA-N 1 1 249.358 2.177 50 30 BEEAMO C/C(C=NN1CC[NH+](C)CC1)=C/c1ccccc1 ZINC000606347380 388389457 /nfs/dbraw/zinc/38/94/57/388389457.db2.gz WDJFFKOWRKMSSZ-AVBXQZMTSA-N 1 1 243.354 2.323 50 30 BEEAMO C=C(C)C[N@H+](CCO)Cc1ccccc1OC ZINC000069492651 388417970 /nfs/dbraw/zinc/41/79/70/388417970.db2.gz OHWPGDCHATWDQP-UHFFFAOYSA-N 1 1 235.327 2.066 50 30 BEEAMO C=CCCCCC[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000194360196 388488140 /nfs/dbraw/zinc/48/81/40/388488140.db2.gz CQTIZVYLLGRCLH-OLZOCXBDSA-N 1 1 211.349 2.436 50 30 BEEAMO C[N@@H+](CCCC#N)C[C@H]1COc2ccccc2O1 ZINC000096905399 388827463 /nfs/dbraw/zinc/82/74/63/388827463.db2.gz IWNDWFDASAWHPX-LBPRGKRZSA-N 1 1 246.310 2.062 50 30 BEEAMO C=CC[NH+]1CCN(Cc2ccsc2)CC1 ZINC000040468521 166356681 /nfs/dbraw/zinc/35/66/81/166356681.db2.gz IQSYSCZJGIBWKD-UHFFFAOYSA-N 1 1 222.357 2.052 50 30 BEEAMO C=CCN1CC[NH+](Cc2ccsc2)CC1 ZINC000040468521 166356684 /nfs/dbraw/zinc/35/66/84/166356684.db2.gz IQSYSCZJGIBWKD-UHFFFAOYSA-N 1 1 222.357 2.052 50 30 BEEAMO C=C(Cl)C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000046092755 411153699 /nfs/dbraw/zinc/15/36/99/411153699.db2.gz KPIMPCYPEUDOMT-SNVBAGLBSA-N 1 1 215.724 2.240 50 30 BEEAMO CN(C[C@@H]1CC[N@@H+](C)C1)c1cccc(F)c1C#N ZINC000069699392 173112978 /nfs/dbraw/zinc/11/29/78/173112978.db2.gz SQNAOIQELMGJQR-LLVKDONJSA-N 1 1 247.317 2.085 50 30 BEEAMO COCCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000051400921 174218871 /nfs/dbraw/zinc/21/88/71/174218871.db2.gz DPJRYMMANBNEII-UHFFFAOYSA-N 1 1 218.300 2.027 50 30 BEEAMO C=C(C)C[N@H+]1CCC[C@H]1Cn1cc(C)cn1 ZINC000070039389 487799653 /nfs/dbraw/zinc/79/96/53/487799653.db2.gz KLGXMRROWHFCGT-ZDUSSCGKSA-N 1 1 219.332 2.232 50 30 BEEAMO C=C(Br)C[NH2+]Cc1ccco1 ZINC000057898380 323175764 /nfs/dbraw/zinc/17/57/64/323175764.db2.gz ANSRWJDETYCNBZ-UHFFFAOYSA-N 1 1 216.078 2.278 50 30 BEEAMO C#CC[N@H+](Cc1cccnc1C)CC1CC1 ZINC000092099590 488081455 /nfs/dbraw/zinc/08/14/55/488081455.db2.gz VJKCNEOSIZQKDN-UHFFFAOYSA-N 1 1 214.312 2.235 50 30 BEEAMO CC[C@H]1C=CC[N@H+]1Cc1cc(C#CCO)cs1 ZINC000952969801 644446116 /nfs/dbraw/zinc/44/61/16/644446116.db2.gz BOLXFFUCDIDSQK-ZDUSSCGKSA-N 1 1 247.363 2.242 50 30 BEEAMO CC[N@H+]1CCCC[C@@H]1CNc1ccc(C#N)cn1 ZINC000071902743 342772040 /nfs/dbraw/zinc/77/20/40/342772040.db2.gz HSDFMFSQUGAZSC-CYBMUJFWSA-N 1 1 244.342 2.240 50 30 BEEAMO CC[N@H+]1CCCC[C@H]1CNc1ccc(C#N)cn1 ZINC000071902744 342772118 /nfs/dbraw/zinc/77/21/18/342772118.db2.gz HSDFMFSQUGAZSC-ZDUSSCGKSA-N 1 1 244.342 2.240 50 30 BEEAMO Cc1occc1C(=O)ONC(=[NH2+])c1ccccc1 ZINC000018172965 342933156 /nfs/dbraw/zinc/93/31/56/342933156.db2.gz WUEXOQYPVVZRRG-UHFFFAOYSA-N 1 1 244.250 2.065 50 30 BEEAMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2)C[C@]1(C)O ZINC000091819639 343657449 /nfs/dbraw/zinc/65/74/49/343657449.db2.gz BKGJRPQIPVWRNQ-HNNXBMFYSA-N 1 1 244.338 2.151 50 30 BEEAMO C=CC[N@@H+]1CCN(c2nc(C)cs2)[C@H](C)C1 ZINC000239653941 166356936 /nfs/dbraw/zinc/35/69/36/166356936.db2.gz BLVQZIMYOGHBBK-LLVKDONJSA-N 1 1 237.372 2.148 50 30 BEEAMO C=CC[N@H+]1CCN(c2nc(C)cs2)[C@H](C)C1 ZINC000239653941 166356938 /nfs/dbraw/zinc/35/69/38/166356938.db2.gz BLVQZIMYOGHBBK-LLVKDONJSA-N 1 1 237.372 2.148 50 30 BEEAMO C=C(Cl)C[N@@H+]1CCCC[C@@H]1[C@H](O)CC ZINC000076325393 188116511 /nfs/dbraw/zinc/11/65/11/188116511.db2.gz SEAKPTHNCAOOEA-GHMZBOCLSA-N 1 1 217.740 2.364 50 30 BEEAMO N#Cc1c(N)[nH+]ccc1NCc1ccccc1 ZINC000075249344 181078223 /nfs/dbraw/zinc/07/82/23/181078223.db2.gz ZVYZJQHGOHRILE-UHFFFAOYSA-N 1 1 224.267 2.148 50 30 BEEAMO N#Cc1ccccc1N=C1NC(=[NH2+])c2ccccc21 ZINC000003173252 181143945 /nfs/dbraw/zinc/14/39/45/181143945.db2.gz ZSYQSFVMJILFIB-UHFFFAOYSA-N 1 1 246.273 2.355 50 30 BEEAMO N#Cc1ccccc1C[NH+]1CCSCC1 ZINC000020257271 181145514 /nfs/dbraw/zinc/14/55/14/181145514.db2.gz MDMITNIBYUKULW-UHFFFAOYSA-N 1 1 218.325 2.107 50 30 BEEAMO N=C1NC(=[NH+]c2ccccc2)c2ccccc21 ZINC000013114112 181337680 /nfs/dbraw/zinc/33/76/80/181337680.db2.gz LTBKHBIPKHIHLF-UHFFFAOYSA-N 1 1 221.263 2.484 50 30 BEEAMO CCC[N@@H+](CC)Cc1cc(C#N)n(C)c1C ZINC000095430352 169128805 /nfs/dbraw/zinc/12/88/05/169128805.db2.gz ZZQLDPVAPQEAOY-UHFFFAOYSA-N 1 1 219.332 2.437 50 30 BEEAMO N#CCC[N@H+](CC1CC1)C[C@H]1CCCCO1 ZINC000078993155 384713436 /nfs/dbraw/zinc/71/34/36/384713436.db2.gz AVABJHOBGZAWJB-CYBMUJFWSA-N 1 1 222.332 2.181 50 30 BEEAMO N#CCC[N@@H+](CC1CC1)C[C@H]1CCCCO1 ZINC000078993155 384713440 /nfs/dbraw/zinc/71/34/40/384713440.db2.gz AVABJHOBGZAWJB-CYBMUJFWSA-N 1 1 222.332 2.181 50 30 BEEAMO C[C@H](O)C[N@@H+](CCCC#N)Cc1ccccc1 ZINC000096421170 385146972 /nfs/dbraw/zinc/14/69/72/385146972.db2.gz 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