smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc2c(=O)c(-c3ccc([O-])cc3)coc2cc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000002570156 574411919 /nfs/dbraw/zinc/41/19/19/574411919.db2.gz OZBAVEKZGSOMOJ-OCVXTVMPSA-N -1 3 446.408 0.353 40 0 endogenous,in-vitro ICABHM COc1cc2c(=O)c(-c3ccc([O-])cc3)coc2cc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000004349785 556408360 /nfs/dbraw/zinc/40/83/60/556408360.db2.gz OZBAVEKZGSOMOJ-PQZYZXGRSA-N -1 3 446.408 0.353 40 0 in-man ICABHM COc1cc2c(=O)c(-c3ccc([O-])cc3)coc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000004349791 556408327 /nfs/dbraw/zinc/40/83/27/556408327.db2.gz OZBAVEKZGSOMOJ-MSEOUXRUSA-N -1 3 446.408 0.353 40 0 ICABHM CC[C@@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000004533881 555999949 /nfs/dbraw/zinc/99/99/49/555999949.db2.gz WLDVPWVIEXLOPP-HOSILWTGSA-N -1 3 432.587 0.329 40 0 ICABHM Cc1ccc(S(=O)(=O)NN=c2nc(N3CCOCC3)nc(N3CCOCC3)[n-]2)cc1 ZINC000008615727 132288706 /nfs/dbraw/zinc/28/87/06/132288706.db2.gz AUXCMXLDJQYHMK-UHFFFAOYSA-N -1 3 435.510 0.159 40 0 ICABHM Cn1c2[n-]c(Sc3nnc(-c4ccc(Br)cc4)n3N)nc2c(=O)n(C)c1=O ZINC000009695156 556306634 /nfs/dbraw/zinc/30/66/34/556306634.db2.gz ZDSQIWKHGRWAPF-UHFFFAOYSA-N -1 3 449.294 0.846 40 0 ICABHM Cc1nnnn1-c1ccc(CC(=O)N2CCC(n3nnc4c3nc(C)[n-]c4=O)CC2)cc1 ZINC000012133629 526431671 /nfs/dbraw/zinc/43/16/71/526431671.db2.gz LQMRTGNJKKDFMH-UHFFFAOYSA-N -1 3 434.464 0.926 40 0 ICABHM COc1cc2c(=O)c(-c3ccc([O-])cc3)coc2cc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000012495605 523053781 /nfs/dbraw/zinc/05/37/81/523053781.db2.gz OZBAVEKZGSOMOJ-KMHBYZIFSA-N -1 3 446.408 0.353 40 0 endogenous,in-man ICABHM COc1cc2c(=O)c(-c3ccc([O-])cc3)coc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000012495616 523053611 /nfs/dbraw/zinc/05/36/11/523053611.db2.gz OZBAVEKZGSOMOJ-OHLDOZIISA-N -1 3 446.408 0.353 40 0 endogenous,in-vitro ICABHM Cn1nnnc1SCc1cc(=O)[n-]c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000013611325 132351787 /nfs/dbraw/zinc/35/17/87/132351787.db2.gz RMYCQMAWQMXTQL-UHFFFAOYSA-N -1 3 442.505 0.637 40 0 ICABHM CCOC(=O)CSc1[n-]c(NC(=S)NC(=O)c2ccccc2)c(C(N)=O)c1C(N)=O ZINC000016682862 520809192 /nfs/dbraw/zinc/80/91/92/520809192.db2.gz ANZFJSIIGXBMHT-UHFFFAOYSA-N -1 3 449.514 0.995 40 0 ICABHM Nc1nnc2n1C(=O)C(C(C(=O)c1cccc3ccccc31)=c1[n-]c3nnc(N)n3c1=O)=N2 ZINC000016942789 556649637 /nfs/dbraw/zinc/64/96/37/556649637.db2.gz UDJYJKXJLYGKNV-UHFFFAOYSA-N -1 3 440.383 0.839 40 0 ICABHM Cc1cccc(CC(=O)N2CC[C@@H](c3nc4c(c(=O)[n-]3)CCN(S(C)(=O)=O)C4)C2)c1 ZINC000019234623 556718767 /nfs/dbraw/zinc/71/87/67/556718767.db2.gz XIBWNWKMYWLKQH-MRXNPFEDSA-N -1 3 430.530 0.955 40 0 ICABHM Cc1cccc(CC(=O)N2CC[C@H](c3nc4c(c(=O)[n-]3)CCN(S(C)(=O)=O)C4)C2)c1 ZINC000019234624 556718712 /nfs/dbraw/zinc/71/87/12/556718712.db2.gz XIBWNWKMYWLKQH-INIZCTEOSA-N -1 3 430.530 0.955 40 0 ICABHM Cn1c(=O)cc(C(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[n-]3)CC2)n(C)c1=O ZINC000019288686 556728806 /nfs/dbraw/zinc/72/88/06/556728806.db2.gz FVFJCOYMPPZTKZ-UHFFFAOYSA-N -1 3 427.486 0.916 40 0 ICABHM CC(C)[C@@H](NC(=O)c1cc2c([nH]c1=O)CCC2)c1cc(=O)[n-]c(N2CCN(C)CC2)n1 ZINC000019445523 556756003 /nfs/dbraw/zinc/75/60/03/556756003.db2.gz PHAUEHVEWDKQLD-LJQANCHMSA-N -1 3 426.521 0.826 40 0 ICABHM CC(C)[C@H](NC(=O)c1cc2c([nH]c1=O)CCC2)c1cc(=O)[n-]c(N2CCN(C)CC2)n1 ZINC000019445525 556755935 /nfs/dbraw/zinc/75/59/35/556755935.db2.gz PHAUEHVEWDKQLD-IBGZPJMESA-N -1 3 426.521 0.826 40 0 ICABHM COCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(S(=O)(=O)C(C)C)C2 ZINC000019451098 556761767 /nfs/dbraw/zinc/76/17/67/556761767.db2.gz XIHUXVHLLVLYQU-MRXNPFEDSA-N -1 3 426.539 0.956 40 0 ICABHM COCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(S(=O)(=O)C(C)C)C2 ZINC000019451100 556761932 /nfs/dbraw/zinc/76/19/32/556761932.db2.gz XIHUXVHLLVLYQU-INIZCTEOSA-N -1 3 426.539 0.956 40 0 ICABHM CC[C@@H](C)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(S(=O)(=O)N(C)C)CC3)C1 ZINC000019499824 556771813 /nfs/dbraw/zinc/77/18/13/556771813.db2.gz SIEZGDJXOXJINK-ZIAGYGMSSA-N -1 3 425.555 0.687 40 0 ICABHM CC[C@H](C)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(S(=O)(=O)N(C)C)CC3)C1 ZINC000019499825 556771704 /nfs/dbraw/zinc/77/17/04/556771704.db2.gz SIEZGDJXOXJINK-UONOGXRCSA-N -1 3 425.555 0.687 40 0 ICABHM CC[C@@H](C)C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(S(=O)(=O)N(C)C)CC3)C1 ZINC000019499826 556771789 /nfs/dbraw/zinc/77/17/89/556771789.db2.gz SIEZGDJXOXJINK-KGLIPLIRSA-N -1 3 425.555 0.687 40 0 ICABHM CC[C@H](C)C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(S(=O)(=O)N(C)C)CC3)C1 ZINC000019499827 556771828 /nfs/dbraw/zinc/77/18/28/556771828.db2.gz SIEZGDJXOXJINK-KBPBESRZSA-N -1 3 425.555 0.687 40 0 ICABHM CCS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](c3nc(COC)cc(=O)[n-]3)C2)CC1 ZINC000019520270 556776182 /nfs/dbraw/zinc/77/61/82/556776182.db2.gz IAFBBUSWROIDCV-OAHLLOKOSA-N -1 3 426.539 0.684 40 0 ICABHM CCS(=O)(=O)N1CCC(C(=O)N2CCC[C@H](c3nc(COC)cc(=O)[n-]3)C2)CC1 ZINC000019520271 556776117 /nfs/dbraw/zinc/77/61/17/556776117.db2.gz IAFBBUSWROIDCV-HNNXBMFYSA-N -1 3 426.539 0.684 40 0 ICABHM CCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NC2CCN(c4nc(C)c(C)c(=O)[n-]4)CC2)[C@@H]3C1=O ZINC000019527022 569226781 /nfs/dbraw/zinc/22/67/81/569226781.db2.gz GFNSCLYFTCNYQQ-PEOGOYOCSA-N -1 3 427.505 0.274 40 0 ICABHM COc1cccc(CC(=O)N2CC[C@@H](c3nc4c(c(=O)[n-]3)CN(S(C)(=O)=O)CC4)C2)c1 ZINC000019564089 556804832 /nfs/dbraw/zinc/80/48/32/556804832.db2.gz KJPGBDPRRPJLBQ-OAHLLOKOSA-N -1 3 446.529 0.655 40 0 ICABHM COc1cccc(CC(=O)N2CC[C@H](c3nc4c(c(=O)[n-]3)CN(S(C)(=O)=O)CC4)C2)c1 ZINC000019564093 556804861 /nfs/dbraw/zinc/80/48/61/556804861.db2.gz KJPGBDPRRPJLBQ-HNNXBMFYSA-N -1 3 446.529 0.655 40 0 ICABHM COc1ccccc1CC(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(S(C)(=O)=O)C3)C1 ZINC000019569480 556809700 /nfs/dbraw/zinc/80/97/00/556809700.db2.gz VLJOUCSXMSFHFR-OAHLLOKOSA-N -1 3 446.529 0.655 40 0 ICABHM COc1ccccc1CC(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(S(C)(=O)=O)C3)C1 ZINC000019569483 556809713 /nfs/dbraw/zinc/80/97/13/556809713.db2.gz VLJOUCSXMSFHFR-HNNXBMFYSA-N -1 3 446.529 0.655 40 0 ICABHM CS(=O)(=O)N1CCc2c(=O)[n-]c([C@@H]3CCCN3C(=O)CSc3ccccn3)nc2C1 ZINC000019572950 556813211 /nfs/dbraw/zinc/81/32/11/556813211.db2.gz AULOLNIKWXAFGN-HNNXBMFYSA-N -1 3 449.558 0.938 40 0 ICABHM CS(=O)(=O)N1CCc2c(=O)[n-]c([C@H]3CCCN3C(=O)CSc3ccccn3)nc2C1 ZINC000019572954 556813300 /nfs/dbraw/zinc/81/33/00/556813300.db2.gz AULOLNIKWXAFGN-OAHLLOKOSA-N -1 3 449.558 0.938 40 0 ICABHM CS(=O)(=O)N1CCc2c(=O)[n-]c([C@@H]3CCN(C(=O)Cc4ccc(F)cc4)C3)nc2C1 ZINC000019573045 556813591 /nfs/dbraw/zinc/81/35/91/556813591.db2.gz IGYGVCADUMPQNF-CQSZACIVSA-N -1 3 434.493 0.785 40 0 ICABHM CS(=O)(=O)N1CCc2c(=O)[n-]c([C@H]3CCN(C(=O)Cc4ccc(F)cc4)C3)nc2C1 ZINC000019573048 556813509 /nfs/dbraw/zinc/81/35/09/556813509.db2.gz IGYGVCADUMPQNF-AWEZNQCLSA-N -1 3 434.493 0.785 40 0 ICABHM CS(=O)(=O)N1CCc2c(=O)[n-]c([C@@H]3CCN(C(=O)Cc4ccccc4F)C3)nc2C1 ZINC000019573056 556813612 /nfs/dbraw/zinc/81/36/12/556813612.db2.gz DMOCYNKEVOWYEE-CQSZACIVSA-N -1 3 434.493 0.785 40 0 ICABHM CS(=O)(=O)N1CCc2c(=O)[n-]c([C@H]3CCN(C(=O)Cc4ccccc4F)C3)nc2C1 ZINC000019573060 556813529 /nfs/dbraw/zinc/81/35/29/556813529.db2.gz DMOCYNKEVOWYEE-AWEZNQCLSA-N -1 3 434.493 0.785 40 0 ICABHM Cc1nc2c(c(=O)[n-]1)CC[C@@H]1CN(C(=O)CCN3C(=O)c4ccccc4S3(=O)=O)C[C@H]21 ZINC000019576647 556815164 /nfs/dbraw/zinc/81/51/64/556815164.db2.gz KCMMBFURVWSQPT-CJNGLKHVSA-N -1 3 442.497 0.801 40 0 ICABHM CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCCN(CC4=CCCOC4)C3)[n-]c(=O)c2C1 ZINC000019583764 556821275 /nfs/dbraw/zinc/82/12/75/556821275.db2.gz QSWOKVUMZCYIPC-MRXNPFEDSA-N -1 3 437.566 0.873 40 0 ICABHM CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCCN(CC4=CCCOC4)C3)[n-]c(=O)c2C1 ZINC000019583767 556821329 /nfs/dbraw/zinc/82/13/29/556821329.db2.gz QSWOKVUMZCYIPC-INIZCTEOSA-N -1 3 437.566 0.873 40 0 ICABHM CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCCN(Cc4cccnc4)C3)[n-]c(=O)c2C1 ZINC000019583796 556821257 /nfs/dbraw/zinc/82/12/57/556821257.db2.gz DZYBDPVDLVCIPZ-MRXNPFEDSA-N -1 3 432.550 0.709 40 0 ICABHM CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCCN(Cc4cccnc4)C3)[n-]c(=O)c2C1 ZINC000019583799 556821423 /nfs/dbraw/zinc/82/14/23/556821423.db2.gz DZYBDPVDLVCIPZ-INIZCTEOSA-N -1 3 432.550 0.709 40 0 ICABHM CN(C)S(=O)(=O)N1CCc2c(nc([C@@H]3CCCN3C(=O)[C@H]3CC=CCC3)[n-]c2=O)C1 ZINC000019583812 556821317 /nfs/dbraw/zinc/82/13/17/556821317.db2.gz JYEAVPZCPZDXDT-YOEHRIQHSA-N -1 3 435.550 0.954 40 0 ICABHM CN(C)S(=O)(=O)N1CCc2c(nc([C@H]3CCCN3C(=O)[C@H]3CC=CCC3)[n-]c2=O)C1 ZINC000019583815 556821437 /nfs/dbraw/zinc/82/14/37/556821437.db2.gz JYEAVPZCPZDXDT-WMLDXEAASA-N -1 3 435.550 0.954 40 0 ICABHM CN(C)S(=O)(=O)N1CCc2c(=O)[n-]c([C@@H]3CCCN3C(=O)Cc3ccccc3)nc2C1 ZINC000019583818 556821309 /nfs/dbraw/zinc/82/13/09/556821309.db2.gz ATJUQEDBEZZCNP-SFHVURJKSA-N -1 3 445.545 0.841 40 0 ICABHM CN(C)S(=O)(=O)N1CCc2c(=O)[n-]c([C@H]3CCCN3C(=O)Cc3ccccc3)nc2C1 ZINC000019583821 556821397 /nfs/dbraw/zinc/82/13/97/556821397.db2.gz ATJUQEDBEZZCNP-GOSISDBHSA-N -1 3 445.545 0.841 40 0 ICABHM CN(Cc1ccc(CN2CCc3nc(-c4cnccn4)[n-]c(=O)c3CC2)o1)S(C)(=O)=O ZINC000019586439 556823201 /nfs/dbraw/zinc/82/32/01/556823201.db2.gz BILHOGPDVSXSGL-UHFFFAOYSA-N -1 3 444.517 0.812 40 0 ICABHM CO[C@@H]1CCC[C@@H](C(=O)N2CC[C@@H](c3nc4c(c(=O)[n-]3)CCN(S(C)(=O)=O)C4)C2)C1 ZINC000019592587 569227412 /nfs/dbraw/zinc/22/74/12/569227412.db2.gz YWOUYBQOAQUILQ-RBSFLKMASA-N -1 3 438.550 0.609 40 0 ICABHM CO[C@@H]1CCC[C@H](C(=O)N2CC[C@@H](c3nc4c(c(=O)[n-]3)CCN(S(C)(=O)=O)C4)C2)C1 ZINC000019592589 569227402 /nfs/dbraw/zinc/22/74/02/569227402.db2.gz YWOUYBQOAQUILQ-RRFJBIMHSA-N -1 3 438.550 0.609 40 0 ICABHM CN(CCc1ccccn1)[C@H]1[C@@H](C[N-]S(=O)(=O)c2cccs2)O[C@@H](CO)[C@H]1O ZINC000020465869 522965730 /nfs/dbraw/zinc/96/57/30/522965730.db2.gz NOJWAJOEAMURLF-MXSMSXNCSA-N -1 3 427.548 0.085 40 0 biogenic,in-vitro ICABHM CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000020768732 557126538 /nfs/dbraw/zinc/12/65/38/557126538.db2.gz OXIXDFFCFWQKFM-UHFFFAOYSA-N -1 3 447.560 0.787 40 0 ICABHM CN(C)C[C@H](c1ccc(O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)cc1)C1(O)CCCCC1 ZINC000021981415 521861507 /nfs/dbraw/zinc/86/15/07/521861507.db2.gz GRDOISGIGBUYGA-REBNMZDTSA-N -1 3 439.505 0.298 40 0 in-vitro ICABHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[n-]c(=O)c32)cc1 ZINC000022610416 524590363 /nfs/dbraw/zinc/59/03/63/524590363.db2.gz WKHOOLNOZDCJHK-CQSZACIVSA-N -1 3 440.460 0.545 40 0 ICABHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[n-]c(=O)c32)cc1 ZINC000022610418 524610566 /nfs/dbraw/zinc/61/05/66/524610566.db2.gz WKHOOLNOZDCJHK-AWEZNQCLSA-N -1 3 440.460 0.545 40 0 ICABHM COc1cccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[n-]c(=O)c32)c1 ZINC000022610435 526196671 /nfs/dbraw/zinc/19/66/71/526196671.db2.gz RGKWWVZTBVAKLV-CQSZACIVSA-N -1 3 440.460 0.545 40 0 ICABHM COc1cccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[n-]c(=O)c32)c1 ZINC000022610437 526199010 /nfs/dbraw/zinc/19/90/10/526199010.db2.gz RGKWWVZTBVAKLV-AWEZNQCLSA-N -1 3 440.460 0.545 40 0 ICABHM COc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCC(C(N)=O)CC3)[n-]c(=O)c21 ZINC000022610462 524620008 /nfs/dbraw/zinc/62/00/08/524620008.db2.gz GRVKOXKLWGMMDZ-GFCCVEGCSA-N -1 3 440.460 0.545 40 0 ICABHM COc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCC(C(N)=O)CC3)[n-]c(=O)c21 ZINC000022610464 524623607 /nfs/dbraw/zinc/62/36/07/524623607.db2.gz GRVKOXKLWGMMDZ-LBPRGKRZSA-N -1 3 440.460 0.545 40 0 ICABHM COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)c(-c3ccc([O-])cc3)coc2c1 ZINC000031502299 291313407 /nfs/dbraw/zinc/31/34/07/291313407.db2.gz AJAGLPDYKVWJQE-RECXWPGBSA-N -1 3 446.408 0.353 40 0 biogenic,in-vitro ICABHM COc1cc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)c(-c3ccc([O-])cc3)coc2c1 ZINC000035465657 522892357 /nfs/dbraw/zinc/89/23/57/522892357.db2.gz AJAGLPDYKVWJQE-OSKXVONFSA-N -1 3 446.408 0.353 40 0 biogenic,in-vitro ICABHM CCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)NC2CCN(c4nc(C)c(C)c(=O)[n-]4)CC2)[C@@H]3C1=O ZINC000036718910 556309619 /nfs/dbraw/zinc/30/96/19/556309619.db2.gz GFNSCLYFTCNYQQ-MPWIWIEXSA-N -1 3 427.505 0.274 40 0 ICABHM CCOC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCOCC4)[n-]c(=O)c32)cc1 ZINC000038828109 556620075 /nfs/dbraw/zinc/62/00/75/556620075.db2.gz FWVPSVFZCOZMSQ-CQSZACIVSA-N -1 3 441.444 0.848 40 0 ICABHM CCOC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCOCC4)[n-]c(=O)c32)cc1 ZINC000038828110 556619988 /nfs/dbraw/zinc/61/99/88/556619988.db2.gz FWVPSVFZCOZMSQ-AWEZNQCLSA-N -1 3 441.444 0.848 40 0 ICABHM CC(=O)Nc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCOCC4)[n-]c(=O)c32)cc1 ZINC000038828111 556620009 /nfs/dbraw/zinc/62/00/09/556620009.db2.gz NABLJMNGJHZUGP-CQSZACIVSA-N -1 3 426.433 0.629 40 0 ICABHM CC(=O)Nc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCOCC4)[n-]c(=O)c32)cc1 ZINC000038828112 556619966 /nfs/dbraw/zinc/61/99/66/556619966.db2.gz NABLJMNGJHZUGP-AWEZNQCLSA-N -1 3 426.433 0.629 40 0 ICABHM 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291315481 /nfs/dbraw/zinc/31/54/81/291315481.db2.gz SAALPOIFNDXVMM-SRABZTEZSA-N -1 3 434.478 0.034 40 0 biogenic,in-vitro ICABHM COc1ccc([C@@H]2CC(=O)c3c([O-])cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1 ZINC000238747844 569130159 /nfs/dbraw/zinc/13/01/59/569130159.db2.gz KEEWIHDTSNESJZ-ZJHVPRRPSA-N -1 3 448.424 0.286 40 0 biogenic,in-vitro ICABHM CCCOC(=S)[N-][C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000254305552 556698439 /nfs/dbraw/zinc/69/84/39/556698439.db2.gz HYYUGIUQUYOATK-BPKGMFCQSA-N -1 3 449.478 0.371 40 0 ICABHM CCCOC(=S)[N-][C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000254305553 556698406 /nfs/dbraw/zinc/69/84/06/556698406.db2.gz HYYUGIUQUYOATK-DRRXZNNHSA-N -1 3 449.478 0.371 40 0 ICABHM CCCOC(=S)[N-][C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000254305554 556698363 /nfs/dbraw/zinc/69/83/63/556698363.db2.gz HYYUGIUQUYOATK-ZHCJQAHYSA-N -1 3 449.478 0.371 40 0 ICABHM 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