smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(=O)N(C)[C@H](C)CO)c([O-])c1O ZINC000182899089 178381525 /nfs/dbraw/zinc/38/15/25/178381525.db2.gz OYKKOSWOGNAQJU-MRVPVSSYSA-N -1 3 239.271 0.859 20 10 BCCDHM CC(C)(CO)NC(=O)c1cccc(O)c1[O-] ZINC000163281488 188336234 /nfs/dbraw/zinc/33/62/34/188336234.db2.gz BEFJJPGSWIXADZ-UHFFFAOYSA-N -1 3 225.244 0.599 20 10 BCCDHM NC(=O)[C@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000179566474 181283225 /nfs/dbraw/zinc/28/32/25/181283225.db2.gz WWTRFKQTVIVXKR-LLVKDONJSA-N -1 3 236.271 0.078 20 10 BCCDHM O=C1N[C@@H](c2ccccc2[O-])N2CCOC[C@H]12 ZINC000093884080 360286270 /nfs/dbraw/zinc/28/62/70/360286270.db2.gz OIJOIZVLEZEOBQ-MWLCHTKSSA-N -1 3 234.255 0.221 20 10 BCCDHM [O-]c1c(F)cccc1CN1C[C@@H](O)C[C@H]1CO ZINC000274897537 183128956 /nfs/dbraw/zinc/12/89/56/183128956.db2.gz GEVAAXUOAVHBNQ-UWVGGRQHSA-N -1 3 241.262 0.459 20 10 BCCDHM CN(CC(N)=O)Cc1c([O-])cccc1Cl ZINC000132599629 384198663 /nfs/dbraw/zinc/19/86/63/384198663.db2.gz NJUQGIMRMXERLV-UHFFFAOYSA-N -1 3 228.679 0.963 20 10 BCCDHM C[C@H](CO)CNC(=O)c1cccc(O)c1[O-] ZINC000163282429 384785165 /nfs/dbraw/zinc/78/51/65/384785165.db2.gz IQQISEZJZMGWQA-ZETCQYMHSA-N -1 3 225.244 0.456 20 10 BCCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](O)C1 ZINC000126286956 384788733 /nfs/dbraw/zinc/78/87/33/384788733.db2.gz JIIUJHMAHXPQKF-MRVPVSSYSA-N -1 3 237.255 0.695 20 10 BCCDHM COC(=O)[C@H](NCc1ccccc1[O-])[C@@H](C)O ZINC000191020901 385277339 /nfs/dbraw/zinc/27/73/39/385277339.db2.gz ZRNAREVBPDQBRS-LDYMZIIASA-N -1 3 239.271 0.404 20 10 BCCDHM CC(C)(O)CCNC(=O)c1cccc(O)c1[O-] ZINC000280539302 385330287 /nfs/dbraw/zinc/33/02/87/385330287.db2.gz SLIHANROUPVCRM-UHFFFAOYSA-N -1 3 239.271 0.989 20 10 BCCDHM CN(Cc1cccc(F)c1[O-])[C@@H]1COC[C@H]1O ZINC000289562704 386328270 /nfs/dbraw/zinc/32/82/70/386328270.db2.gz JAPMLUXAGXVYMG-GHMZBOCLSA-N -1 3 241.262 0.723 20 10 BCCDHM C[C@@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000163281605 388260881 /nfs/dbraw/zinc/26/08/81/388260881.db2.gz SHCCFVOFYNXXIA-LURJTMIESA-N -1 3 211.217 0.208 20 10 BCCDHM C[C@]1(O)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000276700414 388351361 /nfs/dbraw/zinc/35/13/61/388351361.db2.gz BCVAQAZBKQIUFM-LBPRGKRZSA-N -1 3 237.255 0.695 20 10 BCCDHM CNC(=O)CNCc1c([O-])cccc1Cl ZINC000083551444 173277131 /nfs/dbraw/zinc/27/71/31/173277131.db2.gz IPMAXANPMCXKQQ-UHFFFAOYSA-N -1 3 228.679 0.881 20 10 BCCDHM CNC(=O)CNCc1cccc(Cl)c1[O-] ZINC000162821760 173277571 /nfs/dbraw/zinc/27/75/71/173277571.db2.gz MFWBGQIMZVFGGK-UHFFFAOYSA-N -1 3 228.679 0.881 20 10 BCCDHM C[C@@H]1C(=O)NCCN1Cc1cc(F)ccc1[O-] ZINC000180014443 176046526 /nfs/dbraw/zinc/04/65/26/176046526.db2.gz PNECUPGXZVSADK-MRVPVSSYSA-N -1 3 238.262 0.852 20 10 BCCDHM C[C@H]1C[C@H](NC(=O)c2cc([O-])cs2)C(=O)O1 ZINC000854470861 588788980 /nfs/dbraw/zinc/78/89/80/588788980.db2.gz RUDFXIXTSPUEHJ-FSPLSTOPSA-N -1 3 241.268 0.888 20 10 BCCDHM O=C(c1cc([O-])cs1)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000854599274 588796750 /nfs/dbraw/zinc/79/67/50/588796750.db2.gz WFJWKRFLCKXCOW-BRPSZJMVSA-N -1 3 239.296 0.764 20 10 BCCDHM Cc1ccc(C(=O)NC/C=C\CO)c([O-])c1O ZINC000855399857 588831349 /nfs/dbraw/zinc/83/13/49/588831349.db2.gz RDHAMYUMJKBWBR-IHWYPQMZSA-N -1 3 237.255 0.685 20 10 BCCDHM CC[C@@H](O)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000855743696 588846479 /nfs/dbraw/zinc/84/64/79/588846479.db2.gz QWXPGALMPNWXIV-MRVPVSSYSA-N -1 3 239.271 0.907 20 10 BCCDHM Cc1ccc(C(=O)N[C@H]2C[C@H](O)C2)c([O-])c1O ZINC000856394465 588871207 /nfs/dbraw/zinc/87/12/07/588871207.db2.gz FSOWHTZZUOHLQO-ZKCHVHJHSA-N -1 3 237.255 0.659 20 10 BCCDHM O=C(c1cc([O-])cs1)N1CCOCC1 ZINC000731863936 584929911 /nfs/dbraw/zinc/92/99/11/584929911.db2.gz KPLJDVUWIMHAKF-UHFFFAOYSA-N -1 3 213.258 0.926 20 10 BCCDHM C[C@H](NC(=O)c1cc([O-])cs1)C(=O)N(C)C ZINC000731870428 584930087 /nfs/dbraw/zinc/93/00/87/584930087.db2.gz YRNRKVPREVKTIU-LURJTMIESA-N -1 3 242.300 0.660 20 10 BCCDHM C[C@H](NC(=O)c1cc([O-])cs1)C(N)=O ZINC000732258461 584935165 /nfs/dbraw/zinc/93/51/65/584935165.db2.gz BCDVNAQIVYSFMT-BYPYZUCNSA-N -1 3 214.246 0.057 20 10 BCCDHM O=C(NC[C@H]1COCCO1)c1cc([O-])cs1 ZINC000732274176 584935368 /nfs/dbraw/zinc/93/53/68/584935368.db2.gz DTTWOZUDIJVELJ-QMMMGPOBSA-N -1 3 243.284 0.599 20 10 BCCDHM O=C(O[C@H]1CCOC1=O)c1cc([O-])cs1 ZINC000732354965 584936115 /nfs/dbraw/zinc/93/61/15/584936115.db2.gz XZGLFHYBVBVMNK-LURJTMIESA-N -1 3 228.225 0.926 20 10 BCCDHM Cc1ccc(C(=O)Nc2ncn(C)n2)c([O-])c1O ZINC000817153055 584983368 /nfs/dbraw/zinc/98/33/68/584983368.db2.gz HJVLNFCFBFTYQJ-UHFFFAOYSA-N -1 3 248.242 0.787 20 10 BCCDHM CN1CC[C@H](NC(=O)c2cc([O-])cs2)C1=O ZINC000738550932 585047104 /nfs/dbraw/zinc/04/71/04/585047104.db2.gz DNIXVYDFCSPLNR-ZETCQYMHSA-N -1 3 240.284 0.414 20 10 BCCDHM CN1CC[C@@H](NC(=O)c2cc([O-])cs2)C1=O ZINC000738550931 585047343 /nfs/dbraw/zinc/04/73/43/585047343.db2.gz DNIXVYDFCSPLNR-SSDOTTSWSA-N -1 3 240.284 0.414 20 10 BCCDHM C[C@@H](CCO)NC(=O)c1cc([O-])cs1 ZINC000746301650 585167247 /nfs/dbraw/zinc/16/72/47/585167247.db2.gz OLDPVYSMXQYISZ-LURJTMIESA-N -1 3 215.274 0.954 20 10 BCCDHM C[C@H](O)CCNC(=O)c1cc([O-])cs1 ZINC000757904074 585346812 /nfs/dbraw/zinc/34/68/12/585346812.db2.gz VIMWVASBJKZBBO-LURJTMIESA-N -1 3 215.274 0.954 20 10 BCCDHM COC(=O)[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000761604236 585417616 /nfs/dbraw/zinc/41/76/16/585417616.db2.gz ZCMSKPGSVUHYQQ-RXMQYKEDSA-N -1 3 229.257 0.745 20 10 BCCDHM O=C(N[C@@H](CO)C1CC1)c1cc([O-])cs1 ZINC000778511839 585736474 /nfs/dbraw/zinc/73/64/74/585736474.db2.gz SPMWXJSPHWJGQK-QMMMGPOBSA-N -1 3 227.285 0.954 20 10 BCCDHM O=C(c1cc([O-])cs1)N1C[C@H]2C[C@@]2(CO)C1 ZINC000783936099 585845684 /nfs/dbraw/zinc/84/56/84/585845684.db2.gz JGFXYSWGRUSKBT-HQJQHLMTSA-N -1 3 239.296 0.908 20 10 BCCDHM CC(=O)C(=O)COC(=O)c1cncc([O-])c1 ZINC000808517069 586476626 /nfs/dbraw/zinc/47/66/26/586476626.db2.gz QYBABIRWBKNNDE-UHFFFAOYSA-N -1 3 223.184 0.102 20 10 BCCDHM CC1(C(N)=O)CN(C(=O)c2cc([O-])cs2)C1 ZINC000844148334 588170710 /nfs/dbraw/zinc/17/07/10/588170710.db2.gz ZWLJATPYWVZFLI-UHFFFAOYSA-N -1 3 240.284 0.401 20 10 BCCDHM O=C(N[C@H](CO)CCF)c1cc([O-])cs1 ZINC000846664076 588281365 /nfs/dbraw/zinc/28/13/65/588281365.db2.gz BVTJNMOBJSCQBF-LURJTMIESA-N -1 3 233.264 0.904 20 10 BCCDHM O=C(NC[C@H]1C[C@@H](O)C1)c1cc([O-])cs1 ZINC000863188097 589269960 /nfs/dbraw/zinc/26/99/60/589269960.db2.gz NGIGFAHHEKHSOX-KNVOCYPGSA-N -1 3 227.285 0.954 20 10 BCCDHM Cc1cccc([O-])c1CN1CCNC(=O)C1 ZINC000876533701 590210967 /nfs/dbraw/zinc/21/09/67/590210967.db2.gz KWQKNPUCGALFAY-UHFFFAOYSA-N -1 3 220.272 0.632 20 10 BCCDHM Cc1ccc(CN2CC(=O)N(C)C2)c([O-])c1 ZINC000877188227 590298851 /nfs/dbraw/zinc/29/88/51/590298851.db2.gz URQOMNYFNVKGJE-UHFFFAOYSA-N -1 3 220.272 0.932 20 10 BCCDHM CN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCOC1 ZINC000126510242 590324266 /nfs/dbraw/zinc/32/42/66/590324266.db2.gz WSSPTBMDWGULRR-MRVPVSSYSA-N -1 3 237.255 0.959 20 10 BCCDHM Cc1ccc(CNCc2nnn(C)n2)c([O-])c1 ZINC000877482988 590338129 /nfs/dbraw/zinc/33/81/29/590338129.db2.gz PGAICKVKJJWBTL-UHFFFAOYSA-N -1 3 233.275 0.514 20 10 BCCDHM COc1cccc([O-])c1CN1CC(C)(O)C1 ZINC000877581117 590365827 /nfs/dbraw/zinc/36/58/27/590365827.db2.gz OGLPVESUNPZUDW-UHFFFAOYSA-N -1 3 223.272 0.967 20 10 BCCDHM CCO[N-]C(=O)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877613260 590373466 /nfs/dbraw/zinc/37/34/66/590373466.db2.gz CMVUXOAFELJENO-UHFFFAOYSA-N -1 3 238.287 0.858 20 10 BCCDHM [O-]c1c(Cl)cccc1CN[C@H]1COC[C@H]1O ZINC000134415453 591926285 /nfs/dbraw/zinc/92/62/85/591926285.db2.gz QKFKFASAIUYFPP-VHSXEESVSA-N -1 3 243.690 0.895 20 10 BCCDHM CC[C@@H](O)CNC(=O)c1cccc(O)c1[O-] ZINC000163283951 633053976 /nfs/dbraw/zinc/05/39/76/633053976.db2.gz UZXDWKJYRAPHPA-SSDOTTSWSA-N -1 3 225.244 0.599 20 10 BCCDHM CNC(=O)CN(C)Cc1cccc(F)c1[O-] ZINC000165413528 633092028 /nfs/dbraw/zinc/09/20/28/633092028.db2.gz BREYWHFXEBCEIA-UHFFFAOYSA-N -1 3 226.251 0.709 20 10 BCCDHM O=C1CN(Cc2cc(F)ccc2[O-])CCN1 ZINC000179883033 633874826 /nfs/dbraw/zinc/87/48/26/633874826.db2.gz SFHBTVSYXVQMSG-UHFFFAOYSA-N -1 3 224.235 0.463 20 10 BCCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H]1O ZINC000387887237 711048483 /nfs/dbraw/zinc/04/84/83/711048483.db2.gz QMEQBCIZAJQQCD-GMSGAONNSA-N -1 3 237.255 0.551 20 10 BCCDHM O=C(NN1CCCC1=O)c1cccc(O)c1[O-] ZINC000790911128 712421875 /nfs/dbraw/zinc/42/18/75/712421875.db2.gz LPSVEPVWLVIVJO-UHFFFAOYSA-N -1 3 236.227 0.365 20 10 BCCDHM Cc1ccc(C(=O)N(C)C[C@H](C)O)c([O-])c1O ZINC000182549201 178378236 /nfs/dbraw/zinc/37/82/36/178378236.db2.gz MQEVVRDBWAZNQI-QMMMGPOBSA-N -1 3 239.271 0.859 20 10 BCCDHM CC(C)[C@H](O)CNC(=O)c1cccc(O)c1[O-] ZINC000126637103 191084118 /nfs/dbraw/zinc/08/41/18/191084118.db2.gz FDQINLGRARTEDQ-SNVBAGLBSA-N -1 3 239.271 0.845 20 10 BCCDHM O=C(NC[C@H](O)C1CC1)c1cccc(O)c1[O-] ZINC000126620326 182232460 /nfs/dbraw/zinc/23/24/60/182232460.db2.gz QETSHYZOZCHWIH-JTQLQIEISA-N -1 3 237.255 0.599 20 10 BCCDHM O=C(c1cccc(O)c1[O-])N1CCn2nccc21 ZINC000367498276 182674426 /nfs/dbraw/zinc/67/44/26/182674426.db2.gz RQJWDFSAKBTHDG-UHFFFAOYSA-N -1 3 245.238 0.955 20 10 BCCDHM CN1CC(=O)N[C@@H]1c1cc(F)ccc1[O-] ZINC000298769274 383986549 /nfs/dbraw/zinc/98/65/49/383986549.db2.gz DHQYUONYIBHBFV-JTQLQIEISA-N -1 3 210.208 0.592 20 10 BCCDHM C[C@H](CCO)CNC(=O)c1cccc(O)c1[O-] ZINC000126630831 384815563 /nfs/dbraw/zinc/81/55/63/384815563.db2.gz JMNBCSBXLQOHSZ-MRVPVSSYSA-N -1 3 239.271 0.846 20 10 BCCDHM CC[C@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000163281376 384785146 /nfs/dbraw/zinc/78/51/46/384785146.db2.gz LNVWATWTWBSAFA-SSDOTTSWSA-N -1 3 225.244 0.599 20 10 BCCDHM Cc1ccc(C(=O)NC[C@H](C)O)c([O-])c1O ZINC000179420311 385465228 /nfs/dbraw/zinc/46/52/28/385465228.db2.gz YMOCXWPOPCDLQD-ZETCQYMHSA-N -1 3 225.244 0.517 20 10 BCCDHM O=C1CN(Cc2ccccc2[O-])CCN1 ZINC000179553007 385471112 /nfs/dbraw/zinc/47/11/12/385471112.db2.gz NMTLHVJEDRKUHJ-UHFFFAOYSA-N -1 3 206.245 0.324 20 10 BCCDHM Cc1ccc(C(=O)NCCC(N)=O)c([O-])c1O ZINC000182496421 385674347 /nfs/dbraw/zinc/67/43/47/385674347.db2.gz VEDMGKFQGILBIQ-UHFFFAOYSA-N -1 3 238.243 0.011 20 10 BCCDHM COC(=O)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000271312527 385817284 /nfs/dbraw/zinc/81/72/84/385817284.db2.gz VVRTUDGCIGXPMK-UHFFFAOYSA-N -1 3 239.227 0.309 20 10 BCCDHM [O-]c1c(F)cccc1CN1CCOC[C@H](O)C1 ZINC000294841854 386689646 /nfs/dbraw/zinc/68/96/46/386689646.db2.gz RHBQBXHDFPXOTM-SNVBAGLBSA-N -1 3 241.262 0.724 20 10 BCCDHM O=C(c1cccc(O)c1[O-])N1C[C@H](O)C2(CC2)C1 ZINC000369125532 387028589 /nfs/dbraw/zinc/02/85/89/387028589.db2.gz IQMYZTJBDHAHBY-JTQLQIEISA-N -1 3 249.266 0.695 20 10 BCCDHM COC(=O)[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126308738 173688626 /nfs/dbraw/zinc/68/86/26/173688626.db2.gz MGUFDOJBKRTHMO-ZCFIWIBFSA-N -1 3 239.227 0.389 20 10 BCCDHM C[C@@H]1CN(Cc2ccccc2[O-])CC(=O)N1 ZINC000294685721 176307923 /nfs/dbraw/zinc/30/79/23/176307923.db2.gz AFFIVKBHPVHVPG-SECBINFHSA-N -1 3 220.272 0.713 20 10 BCCDHM C[C@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC000126258219 177291329 /nfs/dbraw/zinc/29/13/29/177291329.db2.gz OSUMEAYRBVNTRL-QMMMGPOBSA-N -1 3 237.255 0.959 20 10 BCCDHM CC[C@@H](O)CNC(=O)c1cc([O-])cs1 ZINC000855744015 588846397 /nfs/dbraw/zinc/84/63/97/588846397.db2.gz CYAHRIOQBZVPAP-ZCFIWIBFSA-N -1 3 215.274 0.954 20 10 BCCDHM O=C(N[C@H]1CCOC1=O)c1cc([O-])cs1 ZINC000869096757 583855780 /nfs/dbraw/zinc/85/57/80/583855780.db2.gz AHALADQNXAKPAU-LURJTMIESA-N -1 3 227.241 0.499 20 10 BCCDHM CCc1cccc(C[NH2+]CC(=O)[N-]OC)c1[O-] ZINC000896924516 583857720 /nfs/dbraw/zinc/85/77/20/583857720.db2.gz NACUTFWXEBYMPL-UHFFFAOYSA-N -1 3 238.287 0.722 20 10 BCCDHM O=C(N[C@H]1CCCNC1=O)c1cc([O-])cs1 ZINC000731872811 584929970 /nfs/dbraw/zinc/92/99/70/584929970.db2.gz ROCBGNPIIJEFSX-ZETCQYMHSA-N -1 3 240.284 0.462 20 10 BCCDHM CN(C)C(=O)COC(=O)c1cc([O-])cs1 ZINC000731910191 584931038 /nfs/dbraw/zinc/93/10/38/584931038.db2.gz NWUZKCKELQSGSQ-UHFFFAOYSA-N -1 3 229.257 0.699 20 10 BCCDHM Cn1cnnc1CNC(=O)c1cc([O-])cs1 ZINC000732267631 584934896 /nfs/dbraw/zinc/93/48/96/584934896.db2.gz NKVMDJNJLUSBCQ-UHFFFAOYSA-N -1 3 238.272 0.512 20 10 BCCDHM O=C(c1cc([O-])cs1)N1CCS(=O)CC1 ZINC000732287479 584935856 /nfs/dbraw/zinc/93/58/56/584935856.db2.gz VPVJRABRQVBQRS-UHFFFAOYSA-N -1 3 245.325 0.658 20 10 BCCDHM CN1C[C@H](NC(=O)c2cc([O-])cs2)CC1=O ZINC000732283575 584935889 /nfs/dbraw/zinc/93/58/89/584935889.db2.gz ORPIUKQZGREFTR-ZCFIWIBFSA-N -1 3 240.284 0.414 20 10 BCCDHM O=C(OCCn1cncn1)c1cc([O-])cs1 ZINC000732354177 584936209 /nfs/dbraw/zinc/93/62/09/584936209.db2.gz GCDLJEXXCPYOBN-UHFFFAOYSA-N -1 3 239.256 0.902 20 10 BCCDHM O=C(NC[C@H](O)C1CC1)c1cc([O-])cs1 ZINC000752625321 585248246 /nfs/dbraw/zinc/24/82/46/585248246.db2.gz GPLXKARODFHCLR-QMMMGPOBSA-N -1 3 227.285 0.954 20 10 BCCDHM Cn1cc(CNC(=O)c2cc([O-])cs2)nn1 ZINC000753469622 585259441 /nfs/dbraw/zinc/25/94/41/585259441.db2.gz KPFCUSBZSDNMNF-UHFFFAOYSA-N -1 3 238.272 0.512 20 10 BCCDHM CC[C@H](CO)NC(=O)c1cc([O-])cs1 ZINC000760174589 585386299 /nfs/dbraw/zinc/38/62/99/585386299.db2.gz GMPABWJYKKVKTQ-ZCFIWIBFSA-N -1 3 215.274 0.954 20 10 BCCDHM COC(=O)CN(C)C(=O)c1cc([O-])cs1 ZINC000768302572 585535511 /nfs/dbraw/zinc/53/55/11/585535511.db2.gz IOQHWPZKSVIEPK-UHFFFAOYSA-N -1 3 229.257 0.699 20 10 BCCDHM C[C@H]1CN(C(=O)c2cc([O-])cs2)C[C@H]1O ZINC000768819554 585544157 /nfs/dbraw/zinc/54/41/57/585544157.db2.gz ZWFVVQIIBQRCCB-POYBYMJQSA-N -1 3 227.285 0.907 20 10 BCCDHM Cc1nnc(NC(=O)c2cccc(O)c2[O-])n1C ZINC000790927774 585970731 /nfs/dbraw/zinc/97/07/31/585970731.db2.gz NGMCBQXTDJQDHX-UHFFFAOYSA-N -1 3 248.242 0.787 20 10 BCCDHM CO[C@@H]1CN(C(=O)c2cc([O-])cs2)CCO1 ZINC000832720149 587679397 /nfs/dbraw/zinc/67/93/97/587679397.db2.gz BRMOSLVTNMMKFN-VIFPVBQESA-N -1 3 243.284 0.899 20 10 BCCDHM CC(C)(O)CONC(=O)c1cccc(O)c1[O-] ZINC000834621602 587761341 /nfs/dbraw/zinc/76/13/41/587761341.db2.gz HZVGMLGMGLZWTC-UHFFFAOYSA-N -1 3 241.243 0.530 20 10 BCCDHM O=C(N[C@H](CO)CCF)c1cccc(O)c1[O-] ZINC000846557060 588277468 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233.227 0.751 20 10 BCCDHM COCCONC(=O)c1cccc(O)c1[O-] ZINC000126611025 590373550 /nfs/dbraw/zinc/37/35/50/590373550.db2.gz ABQBJZYOAWJJBG-UHFFFAOYSA-N -1 3 227.216 0.406 20 10 BCCDHM CN(CC(N)=O)Cc1cc(Cl)ccc1[O-] ZINC000132595952 591721910 /nfs/dbraw/zinc/72/19/10/591721910.db2.gz SOIRFXWYUWRDLT-UHFFFAOYSA-N -1 3 228.679 0.963 20 10 BCCDHM O=C(N[C@H]1CCC[C@@H]1O)c1cccc(O)c1[O-] ZINC000275984682 632622721 /nfs/dbraw/zinc/62/27/21/632622721.db2.gz MBKYUFZNPYQFGB-IUCAKERBSA-N -1 3 237.255 0.741 20 10 BCCDHM COC[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000163268069 636347000 /nfs/dbraw/zinc/34/70/00/636347000.db2.gz UPMOMCKBDQEHHI-ZETCQYMHSA-N -1 3 225.244 0.863 20 10 BCCDHM CCS(=O)(=O)NCc1c([O-])cccc1F ZINC000921452515 642626533 /nfs/dbraw/zinc/62/65/33/642626533.db2.gz RGNLVHOLEVUKCV-UHFFFAOYSA-N -1 3 233.264 0.971 20 10 BCCDHM CS(=O)(=O)NCc1c([O-])cccc1F ZINC000921452454 642626952 /nfs/dbraw/zinc/62/69/52/642626952.db2.gz PPHPKXJKXVTLRI-UHFFFAOYSA-N -1 3 219.237 0.581 20 10 BCCDHM C[C@@H](CC(N)=O)NC(=O)c1cccc(O)c1[O-] ZINC000126557680 712631172 /nfs/dbraw/zinc/63/11/72/712631172.db2.gz PWMAEEBTKMFPGR-LURJTMIESA-N -1 3 238.243 0.092 20 10 BCCDHM O=C(N[C@H]1CC12CC(O)C2)c1cccc(O)c1[O-] ZINC000724962990 710752161 /nfs/dbraw/zinc/75/21/61/710752161.db2.gz OWLQMJVYWAARRN-JRIBOLAGSA-N -1 3 249.266 0.741 20 10 BCCDHM C[C@@H]1C[C@H](O)CN1C(=O)c1cccc(O)c1[O-] ZINC000384859679 710998559 /nfs/dbraw/zinc/99/85/59/710998559.db2.gz IZRAPFNVOIPDKW-SFYZADRCSA-N -1 3 237.255 0.693 20 10 BCCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H](C)O ZINC000387161776 711041697 /nfs/dbraw/zinc/04/16/97/711041697.db2.gz RFJCDTGDDZSQGK-VXNVDRBHSA-N -1 3 239.271 0.987 20 10 BCCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H]1O ZINC000387887238 711048871 /nfs/dbraw/zinc/04/88/71/711048871.db2.gz QMEQBCIZAJQQCD-OIBJUYFYSA-N -1 3 237.255 0.551 20 10 BCCDHM CCNC(=O)CNCc1ccc(F)c(F)c1[O-] ZINC000703365766 712074135 /nfs/dbraw/zinc/07/41/35/712074135.db2.gz PZOJOZJZHQKKFL-UHFFFAOYSA-N -1 3 244.241 0.896 20 10 BCCDHM O=C(N[C@@H](CO)C1CC1)c1cccc(O)c1[O-] ZINC000790916179 712421787 /nfs/dbraw/zinc/42/17/87/712421787.db2.gz FUEUMKGNWNTEFW-VIFPVBQESA-N -1 3 237.255 0.599 20 10 BCCDHM O=C(c1cccc(O)c1[O-])N1C[C@@H]2COC[C@@H]2C1 ZINC000718192705 712752730 /nfs/dbraw/zinc/75/27/30/712752730.db2.gz IQACFJSAHKZIHX-DTORHVGOSA-N -1 3 249.266 0.816 20 10 BCCDHM