smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)N)C(=O)[O-] ZINC000005716304 201361646 /nfs/dbraw/zinc/36/16/46/201361646.db2.gz ZBLQIYPCUWZSRZ-YUELXQCFSA-N -1 3 349.431 0.677 10 0 ECAEHM CCOc1ccccc1C(=O)N1CCO[C@@H](CN(C)CC(=O)[O-])C1 ZINC000262918879 245250573 /nfs/dbraw/zinc/25/05/73/245250573.db2.gz RNLRCBQVVMLHAP-ZDUSSCGKSA-N -1 3 336.388 0.943 10 0 ECAEHM C[C@H](Oc1ccccc1)C(=O)N1CCO[C@@H](CN(C)CC(=O)[O-])C1 ZINC000263012977 245297332 /nfs/dbraw/zinc/29/73/32/245297332.db2.gz YVDOJPRSEZHAQA-ZFWWWQNUSA-N -1 3 336.388 0.698 10 0 ECAEHM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)c1cccs1 ZINC000176438393 207228522 /nfs/dbraw/zinc/22/85/22/207228522.db2.gz KHSRWKQPSHOHHH-SECBINFHSA-N -1 3 328.419 0.637 10 0 ECAEHM CN(CC(=O)[O-])C[C@H]1CN(c2ncc(Br)cn2)CCO1 ZINC000262078597 165285565 /nfs/dbraw/zinc/28/55/65/165285565.db2.gz DRHBOBSDPBDGPB-JTQLQIEISA-N -1 3 345.197 0.461 10 0 ECAEHM CCC[C@@H](NCC(=O)NC[C@@H]1CN(CC(C)C)CCO1)C(=O)[O-] ZINC000262296239 165326273 /nfs/dbraw/zinc/32/62/73/165326273.db2.gz OUNZYOXXKDIGDK-ZIAGYGMSSA-N -1 3 329.441 0.302 10 0 ECAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](N)COC)cc1OC ZINC000262391234 165344097 /nfs/dbraw/zinc/34/40/97/165344097.db2.gz YUOIZCHBAUMHGM-JTQLQIEISA-N -1 3 331.394 0.369 10 0 ECAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](N)COC)cc1OC ZINC000262391237 165344402 /nfs/dbraw/zinc/34/44/02/165344402.db2.gz YUOIZCHBAUMHGM-SNVBAGLBSA-N -1 3 331.394 0.369 10 0 ECAEHM Cc1ncc(CN2CC[C@]3(C2)NC(=O)[N-]C3=O)n1-c1ccccc1 ZINC000376819494 301294908 /nfs/dbraw/zinc/29/49/08/301294908.db2.gz SUTWGJPHNVZUAY-QGZVFWFLSA-N -1 3 325.372 0.965 10 0 ECAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)cn1 ZINC000184915415 437419084 /nfs/dbraw/zinc/41/90/84/437419084.db2.gz AAHSCIXFTPWKPA-LBPRGKRZSA-N -1 3 349.416 0.353 10 0 ECAEHM Cc1nc(C)c(CCC(=O)N2CC(NC(=O)C3CCC3)C2)c(=O)[n-]1 ZINC000188551900 437556061 /nfs/dbraw/zinc/55/60/61/437556061.db2.gz LSDQQLZJGCTGEH-UHFFFAOYSA-N -1 3 332.404 0.446 10 0 ECAEHM CCOc1cccc(C(=O)N2CCO[C@@H](CN(C)CC(=O)[O-])C2)c1 ZINC000262968364 535448422 /nfs/dbraw/zinc/44/84/22/535448422.db2.gz RJEMYUAUIQQAGO-HNNXBMFYSA-N -1 3 336.388 0.943 10 0 ECAEHM CC(C)COc1cncc(N2CCO[C@@H](CN(C)CC(=O)[O-])C2)n1 ZINC000262098241 165291188 /nfs/dbraw/zinc/29/11/88/165291188.db2.gz IGDUOBLZIYCAAS-ZDUSSCGKSA-N -1 3 338.408 0.733 10 0 ECAEHM Cn1nccc1[C@H]1[C@H]([N-]S(=O)(=O)Cc2ccccc2)CC(=O)N1C ZINC000284397169 264208149 /nfs/dbraw/zinc/20/81/49/264208149.db2.gz AWFRGZIEOUCWRZ-CZUORRHYSA-N -1 3 348.428 0.812 10 0 ECAEHM CCn1cc([C@H]2OCC[C@@H]2[N-]S(=O)(=O)[C@H]2CCO[C@@H]2C)cn1 ZINC000333115153 297111000 /nfs/dbraw/zinc/11/10/00/297111000.db2.gz TWTGIZYPWDEWKQ-VZZFWQQMSA-N -1 3 329.422 0.830 10 0 ECAEHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NC[C@@H](C)O ZINC000128883780 436821542 /nfs/dbraw/zinc/82/15/42/436821542.db2.gz GQXGQDZDWREKIF-SECBINFHSA-N -1 3 343.339 0.691 10 0 ECAEHM NS(=O)(=O)c1cccc(CCc2cccnc2)c1-c1nnn[n-]1 ZINC000584596839 439603766 /nfs/dbraw/zinc/60/37/66/439603766.db2.gz NGVLNGZGXDYUFF-UHFFFAOYSA-N -1 3 330.373 0.694 10 0 ECAEHM NS(=O)(=O)c1cccc(CCc2cccnc2)c1-c1nn[n-]n1 ZINC000584596839 439603770 /nfs/dbraw/zinc/60/37/70/439603770.db2.gz NGVLNGZGXDYUFF-UHFFFAOYSA-N -1 3 330.373 0.694 10 0 ECAEHM O=C([O-])c1cn(CCF)c2nc(N3CCNCC3)c(F)cc2c1=O ZINC000029394165 526401561 /nfs/dbraw/zinc/40/15/61/526401561.db2.gz UDVOCWCSFKHVEL-UHFFFAOYSA-N -1 3 338.314 0.613 10 0 ECAEHM CCCn1[n-]ccc1=NC(=O)CN1C[C@H](OC)C[C@H]1c1ncc[nH]1 ZINC000888079146 586246856 /nfs/dbraw/zinc/24/68/56/586246856.db2.gz DURVPCRWYYERPH-OLZOCXBDSA-N -1 3 332.408 0.839 10 0 ECAEHM Cc1nc([C@H]2CN(C(=O)c3n[n-]c4ccccc4c3=O)CCO2)n[nH]1 ZINC000173525835 609781512 /nfs/dbraw/zinc/78/15/12/609781512.db2.gz JZCJNFSVGMJALK-GFCCVEGCSA-N -1 3 340.343 0.563 10 0 ECAEHM Nn1c(=O)cnnc1SCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000032521275 202226940 /nfs/dbraw/zinc/22/69/40/202226940.db2.gz IPFVDZPOFVTNGQ-UHFFFAOYSA-N -1 3 327.753 0.442 10 0 ECAEHM O=C([O-])CCn1c(=O)c2cc(Cl)ccc2nc1N1CCNCC1 ZINC000040351876 295984910 /nfs/dbraw/zinc/98/49/10/295984910.db2.gz MXVNDRDWYLUIGS-UHFFFAOYSA-N -1 3 336.779 0.934 10 0 ECAEHM COc1ccc(C(=O)[N-]C(=O)CN2CCC[C@@H](n3cncn3)C2)cc1 ZINC000105898303 204178086 /nfs/dbraw/zinc/17/80/86/204178086.db2.gz ULQNUSZNAKMINR-CQSZACIVSA-N -1 3 343.387 0.880 10 0 ECAEHM COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc2n[n-]nc2c1 ZINC000127088516 205084575 /nfs/dbraw/zinc/08/45/75/205084575.db2.gz BHHLRUINAUIQPC-NSHDSACASA-N -1 3 327.348 0.961 10 0 ECAEHM COCCC1(C(=O)N2CCO[C@@H](CN(C)CC(=O)[O-])C2)CCC1 ZINC000262971404 292288536 /nfs/dbraw/zinc/28/85/36/292288536.db2.gz XQELPBKTINYMKV-ZDUSSCGKSA-N -1 3 328.409 0.437 10 0 ECAEHM CN(CC(=O)[O-])C[C@H]1CN(C(=O)CSC(F)(F)F)CCO1 ZINC000262950087 436946642 /nfs/dbraw/zinc/94/66/42/436946642.db2.gz ONEOPXFJBNELHL-QMMMGPOBSA-N -1 3 330.328 0.483 10 0 ECAEHM C[C@@H](O)CN1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C[C@H]1C ZINC000173233882 437043056 /nfs/dbraw/zinc/04/30/56/437043056.db2.gz FXKWDEIRAFLWHQ-VXGBXAGGSA-N -1 3 330.388 0.450 10 0 ECAEHM Cc1cc(=O)[n-]c([C@H](C)N2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000192574693 437683057 /nfs/dbraw/zinc/68/30/57/437683057.db2.gz QLHFLAPWBOVRGB-LBPRGKRZSA-N -1 3 340.391 0.812 10 0 ECAEHM NS(=O)(=O)c1cccc(-c2ccnc(CO)c2)c1-c1nnn[n-]1 ZINC000584596444 439603274 /nfs/dbraw/zinc/60/32/74/439603274.db2.gz DOSDOLFANUSZOE-UHFFFAOYSA-N -1 3 332.345 0.068 10 0 ECAEHM O=C(C1CCCC1)N1CCC[C@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000329455799 320773280 /nfs/dbraw/zinc/77/32/80/320773280.db2.gz PZCNJBITVUZZLP-QWHCGFSZSA-N -1 3 348.403 0.771 10 0 ECAEHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000668378273 547640325 /nfs/dbraw/zinc/64/03/25/547640325.db2.gz NXTFIYGSTIVWTP-HUUCEWRRSA-N -1 3 330.388 0.940 10 0 ECAEHM N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000005273983 571688599 /nfs/dbraw/zinc/68/85/99/571688599.db2.gz JAQGKXUEKGKTKX-HZPDHXFCSA-N -1 3 344.367 0.780 10 0 endogenous,in-man ECAEHM Cc1ccc([O-])c(CNC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)n1 ZINC000886094709 590795027 /nfs/dbraw/zinc/79/50/27/590795027.db2.gz CCYFTCSHSHHWBG-IRXDYDNUSA-N -1 3 331.420 0.991 10 0 ECAEHM Cc1nc(-c2cnccn2)nc(N2CCN(CC(=O)[O-])CC2)c1C ZINC000070456648 203077012 /nfs/dbraw/zinc/07/70/12/203077012.db2.gz CJDLKHMOUACUKY-UHFFFAOYSA-N -1 3 328.376 0.757 10 0 ECAEHM CN(CC(=O)[O-])C[C@H]1CN(C(=O)[C@H]2COc3ccccc3C2)CCO1 ZINC000262867896 245222578 /nfs/dbraw/zinc/22/25/78/245222578.db2.gz CHSCGAHRXOIQCR-CABCVRRESA-N -1 3 348.399 0.482 10 0 ECAEHM CN(CC(=O)[O-])C[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)CCO1 ZINC000262931163 245256634 /nfs/dbraw/zinc/25/66/34/245256634.db2.gz MBKQSTHAIQPXMN-QGZVFWFLSA-N -1 3 346.427 0.962 10 0 ECAEHM CC[N@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2cnc(C)s2)C1 ZINC000262447947 165350060 /nfs/dbraw/zinc/35/00/60/165350060.db2.gz DFQASPHHGPSCFY-UHFFFAOYSA-N -1 3 333.435 0.667 10 0 ECAEHM CC[N@@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2cnc(C)s2)C1 ZINC000262447947 165350063 /nfs/dbraw/zinc/35/00/63/165350063.db2.gz DFQASPHHGPSCFY-UHFFFAOYSA-N -1 3 333.435 0.667 10 0 ECAEHM C[C@H](C(=O)Nc1nccs1)N1CCO[C@@H](CN(C)CC(=O)[O-])C1 ZINC000262895961 165398367 /nfs/dbraw/zinc/39/83/67/165398367.db2.gz PBUGFJDGWPTQOK-MNOVXSKESA-N -1 3 342.421 0.187 10 0 ECAEHM C/C=C/C[C@H](NC(=O)C(C)S(=O)(=O)C1CCOCC1)C(=O)[O-] ZINC000263232651 165427005 /nfs/dbraw/zinc/42/70/05/165427005.db2.gz BYRGNECFYAHKRB-YGEYTSGZSA-N -1 3 333.406 0.504 10 0 ECAEHM C[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)c1ccc(F)c(Cl)c1 ZINC000073050352 436068031 /nfs/dbraw/zinc/06/80/31/436068031.db2.gz ORAIAJDWGQHKSD-RXMQYKEDSA-N -1 3 326.715 0.929 10 0 ECAEHM Cc1cc(S(=O)(=O)N2CC[C@]3(C2)NC(=O)[N-]C3=O)c(C)s1 ZINC000084796563 436385556 /nfs/dbraw/zinc/38/55/56/436385556.db2.gz WXSINPFMVNDZFK-GFCCVEGCSA-N -1 3 329.403 0.338 10 0 ECAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N[C@@H]1CCCC[C@H]1CO ZINC000151069894 436694752 /nfs/dbraw/zinc/69/47/52/436694752.db2.gz YHFYKRSDVJDLCF-SWLSCSKDSA-N -1 3 345.399 0.747 10 0 ECAEHM CN(CC(=O)[O-])C[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)CCO1 ZINC000262933320 436944474 /nfs/dbraw/zinc/94/44/74/436944474.db2.gz MJTDWDWJJVUYTH-LBPRGKRZSA-N -1 3 336.344 0.273 10 0 ECAEHM COc1ccc(C(=O)N2CCO[C@H](CN(C)CC(=O)[O-])C2)c(C)c1 ZINC000262968223 436946352 /nfs/dbraw/zinc/94/63/52/436946352.db2.gz RGSRCJNXTJCJOI-CQSZACIVSA-N -1 3 336.388 0.861 10 0 ECAEHM COc1cccc(CC(=O)N2CCO[C@@H](CN(C)CC(=O)[O-])C2)c1 ZINC000263019043 436949808 /nfs/dbraw/zinc/94/98/08/436949808.db2.gz ZUPAQKDNQQGJPZ-HNNXBMFYSA-N -1 3 336.388 0.482 10 0 ECAEHM Cc1ccc2[nH]nc(C(=O)N3CCO[C@H](CN(C)CC(=O)[O-])C3)c2c1 ZINC000328602584 437237597 /nfs/dbraw/zinc/23/75/97/437237597.db2.gz CEHRFVKUANYKHA-GFCCVEGCSA-N -1 3 346.387 0.729 10 0 ECAEHM COC[C@@]1(C(=O)[O-])CCCN1CCN1C(=O)c2ccccc2C1=O ZINC000643880560 440371971 /nfs/dbraw/zinc/37/19/71/440371971.db2.gz SAUGHZHIYNBXDF-QGZVFWFLSA-N -1 3 332.356 0.848 10 0 ECAEHM CN(C)c1nc([C@H]2CCN(C(=O)Cc3ccnn3C)C2)cc(=O)[n-]1 ZINC000888094805 586348793 /nfs/dbraw/zinc/34/87/93/586348793.db2.gz COSKFQQSIRMPJA-NSHDSACASA-N -1 3 330.392 0.540 10 0 ECAEHM Cc1cc(CC(=O)N2CC[C@@H](c3cc(=O)[n-]c(N(C)C)n3)C2)n(C)n1 ZINC000888095355 586349480 /nfs/dbraw/zinc/34/94/80/586349480.db2.gz YXOAZGJSIFNSII-GFCCVEGCSA-N -1 3 344.419 0.849 10 0 ECAEHM [NH3+][C@H](CCCC[N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000005274010 201362123 /nfs/dbraw/zinc/36/21/23/201362123.db2.gz MUYCUFZXUZRHSL-RKDXNWHRSA-N -1 3 339.314 0.238 10 0 ECAEHM CN(CC(=O)[O-])C[C@@H]1CN(CCc2nc3ccccc3n2C)CCO1 ZINC000262854582 245215727 /nfs/dbraw/zinc/21/57/27/245215727.db2.gz KMGLBJVHSLGRCD-CQSZACIVSA-N -1 3 346.431 0.833 10 0 ECAEHM Cc1ccc(CC(=O)N2CCO[C@H](CN(C)CC(=O)[O-])C2)s1 ZINC000262922918 245253532 /nfs/dbraw/zinc/25/35/32/245253532.db2.gz LEBSVECWRFHBLF-GFCCVEGCSA-N -1 3 326.418 0.843 10 0 ECAEHM CN(CC(=O)[O-])C[C@H]1CN(C(=O)c2cc(F)cc(F)c2)CCO1 ZINC000262865000 165397049 /nfs/dbraw/zinc/39/70/49/165397049.db2.gz BUUFRPGUVLYUCB-ZDUSSCGKSA-N -1 3 328.315 0.822 10 0 ECAEHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@H](C)CO ZINC000118969238 436663799 /nfs/dbraw/zinc/66/37/99/436663799.db2.gz QQKTZJKJRDJIAC-VIFPVBQESA-N -1 3 343.339 0.691 10 0 ECAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCN2CCCC[C@H]2C1 ZINC000171451607 436978834 /nfs/dbraw/zinc/97/88/34/436978834.db2.gz AFVOVBDYNZDWDA-AWEZNQCLSA-N -1 3 343.431 0.879 10 0 ECAEHM Cc1ccn2cc(C(=O)N3CCO[C@H](CN(C)CC(=O)[O-])C3)nc2c1 ZINC000262935640 436944202 /nfs/dbraw/zinc/94/42/02/436944202.db2.gz MTUPFHWIQLQEKM-CYBMUJFWSA-N -1 3 346.387 0.500 10 0 ECAEHM COc1ccc(C(=O)N2CCO[C@@H](CN(C)CC(=O)[O-])C2)cc1F ZINC000262934580 436944282 /nfs/dbraw/zinc/94/42/82/436944282.db2.gz MPUZQAIFZDSXKE-LBPRGKRZSA-N -1 3 340.351 0.692 10 0 ECAEHM CC(C)CCO[C@@H](C)C(=O)N1CCO[C@H](CN(C)CC(=O)[O-])C1 ZINC000263011853 436947911 /nfs/dbraw/zinc/94/79/11/436947911.db2.gz YTEVGAOJLMUTHF-UONOGXRCSA-N -1 3 330.425 0.681 10 0 ECAEHM 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ECAEHM CN1CCN(C(=O)[C@@H]2C[C@H](C(=O)[O-])CN(Cc3ccccn3)C2)CC1 ZINC000071422314 436005989 /nfs/dbraw/zinc/00/59/89/436005989.db2.gz GYNPEPVIXOCYTF-CABCVRRESA-N -1 3 346.431 0.378 10 0 ECAEHM CN(C)S(=O)(=O)[N-]c1ccc(I)cn1 ZINC000083446445 436373455 /nfs/dbraw/zinc/37/34/55/436373455.db2.gz WEHYTOGKMIJXIT-UHFFFAOYSA-N -1 3 327.147 0.905 10 0 ECAEHM C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000329022566 320748600 /nfs/dbraw/zinc/74/86/00/320748600.db2.gz MQCAHYCBTRQOSA-JHJVBQTASA-N -1 3 343.387 0.757 10 0 ECAEHM COCCn1cc2c(n1)[C@H]([N-]S(=O)(=O)c1cnnn1C)CCC2 ZINC000330124974 320805835 /nfs/dbraw/zinc/80/58/35/320805835.db2.gz CNPWAIYXXAPYAV-LLVKDONJSA-N -1 3 340.409 0.014 10 0 ECAEHM CC(C)c1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cnnn1C ZINC000330171326 320808336 /nfs/dbraw/zinc/80/83/36/320808336.db2.gz XIPULAPGPBNTGN-VIFPVBQESA-N -1 3 325.398 0.343 10 0 ECAEHM O=S(=O)([N-][C@H]1CCOC[C@H]1O)c1ccc(Br)s1 ZINC000625597252 547164340 /nfs/dbraw/zinc/16/43/40/547164340.db2.gz NMZGZUAVRWRGDF-NKWVEPMBSA-N -1 3 342.236 0.939 10 0 ECAEHM CC[N-]S(=O)(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000725272442 549730188 /nfs/dbraw/zinc/73/01/88/549730188.db2.gz FNSYAWIBBQJMDV-UHFFFAOYSA-N -1 3 330.410 0.932 10 0 ECAEHM N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000002384973 571682538 /nfs/dbraw/zinc/68/25/38/571682538.db2.gz FBTYOQIYBULKEH-ZFWWWQNUSA-N -1 3 341.371 0.573 10 0 endogenous,in-man ECAEHM N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000002384973 571682541 /nfs/dbraw/zinc/68/25/41/571682541.db2.gz FBTYOQIYBULKEH-ZFWWWQNUSA-N -1 3 341.371 0.573 10 0 endogenous,in-man ECAEHM COc1cccc([O-])c1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000908105243 609644322 /nfs/dbraw/zinc/64/43/22/609644322.db2.gz DFXJUJNPCFXVJF-QLJPJBMISA-N -1 3 344.371 0.836 10 0 ECAEHM C[C@H]1OCCC[C@H]1C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000189642584 237100542 /nfs/dbraw/zinc/10/05/42/237100542.db2.gz QPLQWIYXBVPNJF-GHMZBOCLSA-N -1 3 332.447 0.958 10 0 ECAEHM CC(=O)N1CCC2(C[C@H](C(=O)[O-])N(Cc3cccnc3N)C2)CC1 ZINC000072432845 216227005 /nfs/dbraw/zinc/22/70/05/216227005.db2.gz MKUVMBMHLJUINX-CQSZACIVSA-N -1 3 332.404 0.951 10 0 ECAEHM COc1cccc2c1OCCCN(C(=O)CC[C@@H]1NC(=O)[N-]C1=O)C2 ZINC000091644372 218037550 /nfs/dbraw/zinc/03/75/50/218037550.db2.gz WDWZDJMJIJHAMX-LBPRGKRZSA-N -1 3 347.371 0.795 10 0 ECAEHM Cc1nc2c(c(N3CCO[C@@H](CN(C)CC(=O)[O-])C3)n1)CCCC2 ZINC000262103949 165290893 /nfs/dbraw/zinc/29/08/93/165290893.db2.gz JFKOGIAUNPCEDC-ZDUSSCGKSA-N -1 3 334.420 0.885 10 0 ECAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC(C)C)CN(C)C)co1 ZINC000123070597 222208799 /nfs/dbraw/zinc/20/87/99/222208799.db2.gz WBTFOSWHGCVHKV-GFCCVEGCSA-N -1 3 331.438 0.894 10 0 ECAEHM CC(C)C[C@@H]1C[C@H]1NC(=O)N1CCO[C@H](CN(C)CC(=O)[O-])C1 ZINC000263393403 279061101 /nfs/dbraw/zinc/06/11/01/279061101.db2.gz QTOHMTUABMQVCF-MGPQQGTHSA-N -1 3 327.425 0.848 10 0 ECAEHM COC(=O)[C@@H]1[C@@H]([N-]S(=O)(=O)c2cccs2)CCN1C(C)=O ZINC000008297865 436026795 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