smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCNC(=O)CN1CCOC[C@H](C[NH+](C)C)C1 ZINC001529152355 922876225 /nfs/dbraw/zinc/87/62/25/922876225.db2.gz SKZXBCYOAYXNRV-GFCCVEGCSA-N 1 0 255.362 -0.201 50 30 CBEARO C[N@H+](CCO)C[C@@H]1CN(c2cc(C#N)ccn2)C[C@@H]1CO ZINC000091551638 180189764 /nfs/dbraw/zinc/18/97/64/180189764.db2.gz JIXFTOSOMOAUAT-ZIAGYGMSSA-N 1 0 290.367 -0.078 50 30 CBEARO Cn1c(=O)sc(/C=N/NC(N)=S)c1-[n+]1ccccc1 ZINC000000206759 351299150 /nfs/dbraw/zinc/29/91/50/351299150.db2.gz PZJCXCXWDKZBGV-NTUHNPAUSA-O 1 0 294.385 -0.109 50 30 CBEARO N#Cc1nn(CC(=O)[n+]2ccccc2)c(N)c1C#N ZINC000000491439 351301079 /nfs/dbraw/zinc/30/10/79/351301079.db2.gz ADWABAOHRSWBFQ-UHFFFAOYSA-N 1 0 253.245 -0.163 50 30 CBEARO C[C@]1(C(=O)C[n+]2cccc(C(N)=O)c2)CCC(=O)O1 ZINC000001820262 351306442 /nfs/dbraw/zinc/30/64/42/351306442.db2.gz XVEWSXZBEWVQBW-CYBMUJFWSA-O 1 0 263.273 -0.262 50 30 CBEARO CNC(NCc1cccc(S(N)(=O)=O)c1)=[NH+]C ZINC000065520021 351591247 /nfs/dbraw/zinc/59/12/47/351591247.db2.gz RUZUXWTUCQECOO-UHFFFAOYSA-N 1 0 256.331 -0.371 50 30 CBEARO CNC(NCCCN(C(C)C)S(C)(=O)=O)=[NH+]C ZINC000065491733 351592028 /nfs/dbraw/zinc/59/20/28/351592028.db2.gz KIPXULLCTWAXJH-UHFFFAOYSA-N 1 0 264.395 -0.159 50 30 CBEARO CN(C)[C@H](CNC(=[NH2+])N1CCOCC1)c1cnn(C)c1 ZINC000252489122 352377141 /nfs/dbraw/zinc/37/71/41/352377141.db2.gz JFYYEEJCNQDYOC-GFCCVEGCSA-N 1 0 280.376 -0.330 50 30 CBEARO Cn1nncc1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000328591621 352784289 /nfs/dbraw/zinc/78/42/89/352784289.db2.gz ALPYFTIDEHDWEW-JTQLQIEISA-N 1 0 267.333 -0.034 50 30 CBEARO CN(CCC#N)C(=O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000071878878 372766926 /nfs/dbraw/zinc/76/69/26/372766926.db2.gz DGTNZGFTAPYCRQ-LBPRGKRZSA-N 1 0 268.361 -0.379 50 30 CBEARO C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000253396559 372899353 /nfs/dbraw/zinc/89/93/53/372899353.db2.gz JTKCHUPNXHKDPE-UTUOFQBUSA-N 1 0 286.401 -0.184 50 30 CBEARO C[C@@]1(C(=O)C[n+]2cccc(C(N)=O)c2)CCC(=O)O1 ZINC000001820261 351307108 /nfs/dbraw/zinc/30/71/08/351307108.db2.gz XVEWSXZBEWVQBW-ZDUSSCGKSA-O 1 0 263.273 -0.262 50 30 CBEARO CNC(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)=[NH+]C ZINC000069870476 351633790 /nfs/dbraw/zinc/63/37/90/351633790.db2.gz DULGUQAFMJSEKH-VXGBXAGGSA-N 1 0 270.377 -0.482 50 30 CBEARO C[C@H](O)C[N@@H+]1CCN(CC(=O)N(C)CCC#N)C[C@@H]1C ZINC000229544246 220236967 /nfs/dbraw/zinc/23/69/67/220236967.db2.gz YDSRRHZQXVCLPA-STQMWFEESA-N 1 0 282.388 -0.255 50 30 CBEARO Cn1c2ncn(CCNC3=[NH+]CCC3)c2c(=O)n(C)c1=O ZINC000005687309 170128854 /nfs/dbraw/zinc/12/88/54/170128854.db2.gz AOHYNSFTDJGINE-UHFFFAOYSA-N 1 0 290.327 -0.784 50 30 CBEARO C#CC(C)(C)NC(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000055393747 518238588 /nfs/dbraw/zinc/23/85/88/518238588.db2.gz BBUACCGBLKBESQ-JTQLQIEISA-N 1 0 251.330 -0.288 50 30 CBEARO O=C(C[N+]12CN3CN(CN(C3)C1)C2)c1cccc(O)c1O ZINC000068755408 527188697 /nfs/dbraw/zinc/18/86/97/527188697.db2.gz MMIYXKQVSFZUMU-UHFFFAOYSA-O 1 0 291.331 -0.211 50 30 CBEARO N#Cc1cnc(NC2CC[NH+](CCO)CC2)nc1N ZINC000828759863 790895998 /nfs/dbraw/zinc/89/59/98/790895998.db2.gz WPDATIWCRBUJNI-UHFFFAOYSA-N 1 0 262.317 -0.201 50 30 CBEARO CN(C)/C=[NH+]/CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000004171081 351316729 /nfs/dbraw/zinc/31/67/29/351316729.db2.gz KEJISEWIWSSGMU-NTUHNPAUSA-N 1 0 278.316 -0.976 50 30 CBEARO Cc1ccc(S(=O)(=O)N2CC(N=NC(N)=[NH2+])C2)cc1 ZINC000015937166 351343091 /nfs/dbraw/zinc/34/30/91/351343091.db2.gz MCFNXOVUZUSJNQ-UHFFFAOYSA-N 1 0 281.341 -0.371 50 30 CBEARO CN(CCC#N)C(=O)C[NH2+]C[C@H]1CN(C)CCO1 ZINC000072267985 351645669 /nfs/dbraw/zinc/64/56/69/351645669.db2.gz OJADLONBHNZWFF-NSHDSACASA-N 1 0 254.334 -0.721 50 30 CBEARO CC(C)[C@](C)(C#N)NC(=O)C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000069569170 351630653 /nfs/dbraw/zinc/63/06/53/351630653.db2.gz FWOLAXMOMBFDLL-OCCSQVGLSA-N 1 0 282.388 -0.039 50 30 CBEARO CN1CCO[C@H](C[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000069843179 351631613 /nfs/dbraw/zinc/63/16/13/351631613.db2.gz GMMNOCPSPFCBTQ-TZMCWYRMSA-N 1 0 280.372 -0.285 50 30 CBEARO CN(C)[C@@H](CNC(=[NH2+])N1CCOCC1)c1cnn(C)c1 ZINC000252489123 352377711 /nfs/dbraw/zinc/37/77/11/352377711.db2.gz JFYYEEJCNQDYOC-LBPRGKRZSA-N 1 0 280.376 -0.330 50 30 CBEARO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)N(C)CCC#N ZINC000075133359 296133934 /nfs/dbraw/zinc/13/39/34/296133934.db2.gz FYGOBQVZPGQLKH-NEPJUHHUSA-N 1 0 268.361 -0.333 50 30 CBEARO C[NH+](C)C[C@]1(CO)CCCN(c2ncc(C#N)c(N)n2)C1 ZINC000670455647 544793134 /nfs/dbraw/zinc/79/31/34/544793134.db2.gz OWVFTXCGRADPIZ-CQSZACIVSA-N 1 0 290.371 -0.099 50 30 CBEARO C=CCNC(=O)CN1CCOC[C@@H](C[NH+](C)C)C1 ZINC001529152366 922876950 /nfs/dbraw/zinc/87/69/50/922876950.db2.gz SKZXBCYOAYXNRV-LBPRGKRZSA-N 1 0 255.362 -0.201 50 30 CBEARO CN(C)c1cc[n+](OC(=O)N2CCOCC2)cc1 ZINC000003149988 351311626 /nfs/dbraw/zinc/31/16/26/351311626.db2.gz LDKRVZWJEBWBAN-UHFFFAOYSA-N 1 0 252.294 -0.079 50 30 CBEARO C=CC(C)(C)OC[C@@H](O)C[NH+]1CCN(CCO)CC1 ZINC000022916904 351356421 /nfs/dbraw/zinc/35/64/21/351356421.db2.gz OJKGRVZCBHVJJK-ZDUSSCGKSA-N 1 0 272.389 -0.062 50 30 CBEARO CC[NH+](CC)CC#CCNC(=O)CN(C)S(C)(=O)=O ZINC000075164406 351666264 /nfs/dbraw/zinc/66/62/64/351666264.db2.gz FBUHAJVAHNNYNE-UHFFFAOYSA-N 1 0 289.401 -0.661 50 30 CBEARO Cn1cc(C#N)cc1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000089901197 351735045 /nfs/dbraw/zinc/73/50/45/351735045.db2.gz ALFOPWIHUZHVQJ-ZDUSSCGKSA-N 1 0 264.329 -0.061 50 30 CBEARO C[NH+]=C(NCCN1CCOCC1)NCC(=O)NC(C)(C)C ZINC000095350920 351770169 /nfs/dbraw/zinc/77/01/69/351770169.db2.gz MRJRMMYRDFDCPQ-UHFFFAOYSA-N 1 0 299.419 -0.602 50 30 CBEARO CCCCCCCC[NH2+]C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC000232311693 352279363 /nfs/dbraw/zinc/27/93/63/352279363.db2.gz ZRRNJJURLBXWLL-CRWXNKLISA-N 1 0 293.404 -0.628 50 30 CBEARO N#Cc1c[nH]c(C(=O)NCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000426387111 354242144 /nfs/dbraw/zinc/24/21/44/354242144.db2.gz ONYNLYVCVUWOCT-LLVKDONJSA-N 1 0 289.339 -0.187 50 30 CBEARO CCCCCCCC[NH2+]C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC000232311690 189816937 /nfs/dbraw/zinc/81/69/37/189816937.db2.gz ZRRNJJURLBXWLL-XDQVBPFNSA-N 1 0 293.404 -0.628 50 30 CBEARO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N(C)CCC#N)C[C@@H]1C ZINC000071864337 372765042 /nfs/dbraw/zinc/76/50/42/372765042.db2.gz YDSRRHZQXVCLPA-QWHCGFSZSA-N 1 0 282.388 -0.255 50 30 CBEARO C[NH+](C)[C@H]1CCN(c2ncc(C#N)c(N)n2)C[C@@H]1O ZINC000670452605 544792910 /nfs/dbraw/zinc/79/29/10/544792910.db2.gz BEPXCXHSWRWXCT-UWVGGRQHSA-N 1 0 262.317 -0.738 50 30 CBEARO C[N@H+](CCO)C[C@@H]1CN(c2cccc(C#N)n2)C[C@@H]1CO ZINC000091746033 180245384 /nfs/dbraw/zinc/24/53/84/180245384.db2.gz FJKKVFNGNZNJCL-CHWSQXEVSA-N 1 0 290.367 -0.078 50 30 CBEARO C=CCNC(=O)CN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000106867992 186143678 /nfs/dbraw/zinc/14/36/78/186143678.db2.gz GRLQATNACOUSSY-NEPJUHHUSA-N 1 0 255.362 -0.325 50 30 CBEARO C[N@H+](CCC[NH3+])CCCn1cc(C#N)c(=O)[n-]c1=O ZINC000039929739 351414346 /nfs/dbraw/zinc/41/43/46/351414346.db2.gz VKPAPKVJWAXCHS-UHFFFAOYSA-N 1 0 265.317 -0.509 50 30 CBEARO C=CCOC(=O)N1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC000072173656 372765606 /nfs/dbraw/zinc/76/56/06/372765606.db2.gz OFWAGLJPIYJYMD-LBPRGKRZSA-N 1 0 256.302 0.000 50 30 CBEARO C[NH+](C)CCCNC(=O)/C(=N/[O-])c1csc(N)[nH+]1 ZINC000007367656 170279223 /nfs/dbraw/zinc/27/92/23/170279223.db2.gz JEBOTCKLQJOKBE-RIYZIHGNSA-N 1 0 271.346 -0.029 50 30 CBEARO C#CCN1CCN(C(=O)[C@@H]([NH3+])CCSC)CC1 ZINC000040468546 174276680 /nfs/dbraw/zinc/27/66/80/174276680.db2.gz UKEXDIDSZCJRDC-NSHDSACASA-N 1 0 255.387 -0.156 50 30 CBEARO CCCCCCCC[NH2+]C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO ZINC000043422679 175038803 /nfs/dbraw/zinc/03/88/03/175038803.db2.gz ZRRNJJURLBXWLL-RFQIPJPRSA-N 1 0 293.404 -0.628 50 30 CBEARO N#Cc1cnc(N2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)nc1N ZINC000670467835 544792917 /nfs/dbraw/zinc/79/29/17/544792917.db2.gz KGTFDBPIQWHICT-RYUDHWBXSA-N 1 0 288.355 -0.204 50 30 CBEARO C[NH+](C)C[C@@]1(CO)CCCN(c2ncc(C#N)c(N)n2)C1 ZINC000670455646 544793108 /nfs/dbraw/zinc/79/31/08/544793108.db2.gz OWVFTXCGRADPIZ-AWEZNQCLSA-N 1 0 290.371 -0.099 50 30 CBEARO CN(C)C(ON1C(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)=[N+](C)C ZINC000003096517 282017157 /nfs/dbraw/zinc/01/71/57/282017157.db2.gz GPBNVFDFVXCHMV-LMLFDSFASA-N 1 0 278.332 -0.085 50 30 CBEARO CC1(C)C(N=NC2NC(=[NH2+])N(O)C2(C)C)=NC(=N)N1O ZINC000198755558 570381932 /nfs/dbraw/zinc/38/19/32/570381932.db2.gz UCHBERJWHZABGS-UHFFFAOYSA-N 1 0 282.308 -0.705 50 30 CBEARO COC[C@@H](C)NC(=O)C[n+]1cccc(C(N)=O)c1 ZINC000013135257 351334950 /nfs/dbraw/zinc/33/49/50/351334950.db2.gz XHJOOBMQRLTRGX-SECBINFHSA-O 1 0 252.294 -0.776 50 30 CBEARO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000069569168 351630981 /nfs/dbraw/zinc/63/09/81/351630981.db2.gz FWOLAXMOMBFDLL-TZMCWYRMSA-N 1 0 282.388 -0.039 50 30 CBEARO CNC(NCCCn1nc2n(c1=O)CCCC2)=[NH+]C ZINC000169973667 188666972 /nfs/dbraw/zinc/66/69/72/188666972.db2.gz KFTHGBBLXMTQDE-UHFFFAOYSA-N 1 0 266.349 -0.434 50 30 CBEARO NC(=[NH2+])NC(=[NH2+])Nc1ccc(S(=O)(=O)[O-])cc1 ZINC000006023297 170169287 /nfs/dbraw/zinc/16/92/87/170169287.db2.gz MURZSIQUBHOHPQ-UHFFFAOYSA-N 1 0 257.275 -0.637 50 30 in-vitro CBEARO N#Cc1cnc(N[C@H]2COC[C@@H]2[NH+]2CCCC2)nc1N ZINC000584891738 544605297 /nfs/dbraw/zinc/60/52/97/544605297.db2.gz USCNBOCQKWVCKS-QWRGUYRKSA-N 1 0 274.328 -0.373 50 30 CBEARO CN(C[C@H]1CCC[N@H+](CCO)C1)c1ncc(C#N)c(N)n1 ZINC000670447252 544791685 /nfs/dbraw/zinc/79/16/85/544791685.db2.gz VNIGRSOFMRVQCO-LLVKDONJSA-N 1 0 290.371 -0.099 50 30 CBEARO C#CC[NH2+]CC(=O)NCCN1CCOC(C)(C)C1 ZINC000888096567 584483077 /nfs/dbraw/zinc/48/30/77/584483077.db2.gz KFCVRZQQIADGHB-UHFFFAOYSA-N 1 0 253.346 -0.564 50 30 CBEARO N#C[C@H]1C[NH2+]C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000725374176 790819801 /nfs/dbraw/zinc/81/98/01/790819801.db2.gz ISUDDDVAQMZUJR-GZMMTYOYSA-N 1 0 296.308 -0.015 50 30 CBEARO CNC(=O)C1C(=O)[N+](N=Cc2ccc(F)cc2)=NN1C ZINC000033436115 351383540 /nfs/dbraw/zinc/38/35/40/351383540.db2.gz KAEBNUKGXHXWMD-VIZOYTHASA-O 1 0 278.267 -0.206 50 30 CBEARO COCCNC(NCCc1nc(C)no1)=[NH+]CCOC ZINC000095405068 351771355 /nfs/dbraw/zinc/77/13/55/351771355.db2.gz KUAHAGYNSVTRKS-UHFFFAOYSA-N 1 0 285.348 -0.251 50 30 CBEARO CCCCCCCC[NH2+]C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC000165779093 188633129 /nfs/dbraw/zinc/63/31/29/188633129.db2.gz ZRRNJJURLBXWLL-XUXIUFHCSA-N 1 0 293.404 -0.628 50 30 CBEARO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)N(C)CCC#N ZINC000075133357 372769730 /nfs/dbraw/zinc/76/97/30/372769730.db2.gz FYGOBQVZPGQLKH-RYUDHWBXSA-N 1 0 268.361 -0.333 50 30 CBEARO Cc1cc(C)nc(NC(=[NH2+])N2CCN(C=O)CC2)n1 ZINC000006281448 170188422 /nfs/dbraw/zinc/18/84/22/170188422.db2.gz HHTGXXWQBBWXPJ-UHFFFAOYSA-N 1 0 262.317 -0.186 50 30 CBEARO CCOc1cc(C=NNC(N)=[NH2+])ccc1OCC(N)=O ZINC000254557465 656123768 /nfs/dbraw/zinc/12/37/68/656123768.db2.gz ZUHWMAVBMFVRNU-UHFFFAOYSA-N 1 0 279.300 -0.234 50 30 CBEARO CCOC(=O)C(C#N)=NOC(N(C)C)=[N+]1CCOCC1 ZINC000100069300 185704565 /nfs/dbraw/zinc/70/45/65/185704565.db2.gz ADROLXVDPJSKRZ-UVTDQMKNSA-N 1 0 283.308 -0.594 50 30 CBEARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1n[nH]cc1C#N ZINC000012324051 351332637 /nfs/dbraw/zinc/33/26/37/351332637.db2.gz SIMGDGXWRJLZDS-JTQLQIEISA-N 1 0 290.327 -0.180 50 30 CBEARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1n[nH]cc1C#N ZINC000012324050 351332903 /nfs/dbraw/zinc/33/29/03/351332903.db2.gz SIMGDGXWRJLZDS-SNVBAGLBSA-N 1 0 290.327 -0.180 50 30 CBEARO [NH2+]=C(NCC(=O)N1CCCC1)NC[C@@H]1CCCO1 ZINC000058166009 351556628 /nfs/dbraw/zinc/55/66/28/351556628.db2.gz LYMQELNOFRPTNK-JTQLQIEISA-N 1 0 254.334 -0.308 50 30 CBEARO Cc1nc2n(n1)C[C@H]([NH2+]CC(=O)N(C)CCC#N)CC2 ZINC000072268062 351645944 /nfs/dbraw/zinc/64/59/44/351645944.db2.gz OXPFPTBQNHTAFF-LLVKDONJSA-N 1 0 276.344 -0.137 50 30 CBEARO C[NH+](C)C[C@H]1CN(CC(=O)NCCC#N)CCO1 ZINC000069819015 351631746 /nfs/dbraw/zinc/63/17/46/351631746.db2.gz AQWBRJOWOWVDFE-NSHDSACASA-N 1 0 254.334 -0.721 50 30 CBEARO C[C@@H]1C[N@H+](C)CCN1CCC(=O)N(CC#N)CC#N ZINC000089939214 351735150 /nfs/dbraw/zinc/73/51/50/351735150.db2.gz GNMQBFQMROHXBT-GFCCVEGCSA-N 1 0 263.345 -0.112 50 30 CBEARO O=C(NCC[NH2+]CCO)c1ccc(C=NO)nc1 ZINC000254380250 352383432 /nfs/dbraw/zinc/38/34/32/352383432.db2.gz IHWJAJROHQDHOV-UHFFFAOYSA-N 1 0 252.274 -0.799 50 30 CBEARO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N(C)CCC#N)C[C@H]1C ZINC000071864335 372767104 /nfs/dbraw/zinc/76/71/04/372767104.db2.gz YDSRRHZQXVCLPA-CHWSQXEVSA-N 1 0 282.388 -0.255 50 30 CBEARO CN(C[C@@H]1CCC[N@H+](CCO)C1)c1ncc(C#N)c(N)n1 ZINC000670447256 544790449 /nfs/dbraw/zinc/79/04/49/544790449.db2.gz VNIGRSOFMRVQCO-NSHDSACASA-N 1 0 290.371 -0.099 50 30 CBEARO N#C[C@H]1C[NH2+]C[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000725376522 790820099 /nfs/dbraw/zinc/82/00/99/790820099.db2.gz XNKPCYHHSXKCKG-DTWKUNHWSA-N 1 0 296.308 -0.015 50 30 CBEARO C=CC(C)(C)OC[C@H](O)C[NH+]1CCN(CCO)CC1 ZINC000022916900 351357102 /nfs/dbraw/zinc/35/71/02/351357102.db2.gz OJKGRVZCBHVJJK-CYBMUJFWSA-N 1 0 272.389 -0.062 50 30 CBEARO CNC(NCc1ccc(CS(N)(=O)=O)cc1)=[NH+]C ZINC000065520028 351591172 /nfs/dbraw/zinc/59/11/72/351591172.db2.gz WVJXIQBVQJDTQA-UHFFFAOYSA-N 1 0 270.358 -0.230 50 30 CBEARO CNC(NCc1ccc(S(N)(=O)=O)cc1)=[NH+]C ZINC000065520025 351592047 /nfs/dbraw/zinc/59/20/47/351592047.db2.gz AEOKYLUMINROSD-UHFFFAOYSA-N 1 0 256.331 -0.371 50 30 CBEARO CNC(NC[C@H]([C@H]1CCOC1)N1CCOCC1)=[NH+]C ZINC000069870480 351632947 /nfs/dbraw/zinc/63/29/47/351632947.db2.gz DULGUQAFMJSEKH-NWDGAFQWSA-N 1 0 270.377 -0.482 50 30 CBEARO C[NH+](C)C[C@@H]1CN(CCC(=O)N(CC#N)CC#N)CCO1 ZINC000071878810 351643977 /nfs/dbraw/zinc/64/39/77/351643977.db2.gz JFCGBBJQKKMCRX-CYBMUJFWSA-N 1 0 293.371 -0.485 50 30 CBEARO C[NH+](C)C[C@@H]1CN(CC(=O)NCCC#N)CCO1 ZINC000069819014 351631923 /nfs/dbraw/zinc/63/19/23/351631923.db2.gz AQWBRJOWOWVDFE-LLVKDONJSA-N 1 0 254.334 -0.721 50 30 CBEARO CN1CCO[C@H](C[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000069843181 351632144 /nfs/dbraw/zinc/63/21/44/351632144.db2.gz GMMNOCPSPFCBTQ-OCCSQVGLSA-N 1 0 280.372 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C=CCn1c(N2CC[NH2+]CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000041073 351298210 /nfs/dbraw/zinc/29/82/10/351298210.db2.gz SCCRPHAIKDDHQH-UHFFFAOYSA-N 1 0 290.327 -0.981 50 30 CBEARO C=CCNC(NCCN1CCN(C(C)=O)CC1)=[NH+]CC ZINC000075127809 351665532 /nfs/dbraw/zinc/66/55/32/351665532.db2.gz MJAQQSFOESYQJL-UHFFFAOYSA-N 1 0 281.404 -0.108 50 30 CBEARO C=CCC[C@@H](O)C[NH+]1CCN(CC(=O)NCCOC)CC1 ZINC000095966176 351772223 /nfs/dbraw/zinc/77/22/23/351772223.db2.gz MAIBDOGKDXUIAB-CQSZACIVSA-N 1 0 299.415 -0.306 50 30 CBEARO CNC(NCc1cccc(S(=O)(=O)NC)c1)=[NH+]C ZINC000170610577 351998747 /nfs/dbraw/zinc/99/87/47/351998747.db2.gz CDOCMZSRZKACIW-UHFFFAOYSA-N 1 0 270.358 -0.111 50 30 CBEARO C=CCNC(=O)CN1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247075456 352342377 /nfs/dbraw/zinc/34/23/77/352342377.db2.gz GRLQATNACOUSSY-RYUDHWBXSA-N 1 0 255.362 -0.325 50 30 CBEARO C[C@@H](C#N)CN(C)S(=O)(=O)N1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000253396550 352382690 /nfs/dbraw/zinc/38/26/90/352382690.db2.gz JTKCHUPNXHKDPE-SDDRHHMPSA-N 1 0 286.401 -0.184 50 30 CBEARO Cn1nncc1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000328591622 352784058 /nfs/dbraw/zinc/78/40/58/352784058.db2.gz ALPYFTIDEHDWEW-SNVBAGLBSA-N 1 0 267.333 -0.034 50 30 CBEARO N#Cc1c[nH]c(C(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000426387112 354242226 /nfs/dbraw/zinc/24/22/26/354242226.db2.gz ONYNLYVCVUWOCT-NSHDSACASA-N 1 0 289.339 -0.187 50 30 CBEARO CNC(=S)N/N=C1\C2CN3CC1(C)C[N@H+](C2)CC3 ZINC000095483279 372776387 /nfs/dbraw/zinc/77/63/87/372776387.db2.gz LMMIYAJYNSMGTD-GXDHUFHOSA-N 1 0 267.402 -0.296 50 30 CBEARO N#Cc1cnc(N2CC[NH+](CCCCO)CC2)nc1N ZINC000670450070 544792830 /nfs/dbraw/zinc/79/28/30/544792830.db2.gz XGERWNMZFCCLFI-UHFFFAOYSA-N 1 0 276.344 -0.345 50 30 CBEARO C#CC(C)(C)NC(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000055393746 518239075 /nfs/dbraw/zinc/23/90/75/518239075.db2.gz BBUACCGBLKBESQ-SNVBAGLBSA-N 1 0 251.330 -0.288 50 30 CBEARO COC[C@H](C)NC(=O)C[n+]1cccc(C(N)=O)c1 ZINC000013135258 351335132 /nfs/dbraw/zinc/33/51/32/351335132.db2.gz XHJOOBMQRLTRGX-VIFPVBQESA-O 1 0 252.294 -0.776 50 30 CBEARO CC[NH+](CC)CCNC(=O)C(=O)Nc1n[nH]cc1C#N ZINC000012323756 351332898 /nfs/dbraw/zinc/33/28/98/351332898.db2.gz XHYXQQKPURIEFH-UHFFFAOYSA-N 1 0 278.316 -0.322 50 30 CBEARO CNC(=O)C1C(=O)[N+](N=Cc2ccc(C)cc2)=NN1C ZINC000033431757 351383062 /nfs/dbraw/zinc/38/30/62/351383062.db2.gz HSGHHZWHDMTMNC-OVCLIPMQSA-O 1 0 274.304 -0.037 50 30 CBEARO N/C(=N\O)c1ccccc1N1CC[NH+](CCO)CC1 ZINC000036231495 351389270 /nfs/dbraw/zinc/38/92/70/351389270.db2.gz IYBFOPXRKURXFV-UHFFFAOYSA-N 1 0 264.329 -0.105 50 30 CBEARO Cc1cc(C)nc(NC(=[NH2+])NCCN2CCOCC2)n1 ZINC000019927268 351353537 /nfs/dbraw/zinc/35/35/37/351353537.db2.gz NFGPWRSTEZSDFC-UHFFFAOYSA-N 1 0 278.360 -0.039 50 30 CBEARO C#CC[NH+]1CCC(C(=O)NCCN2CCOCC2)CC1 ZINC000057137004 351552868 /nfs/dbraw/zinc/55/28/68/351552868.db2.gz LYXPWLBUVDMLRA-UHFFFAOYSA-N 1 0 279.384 -0.220 50 30 CBEARO C[N@@H+]1C[C@H](NC(=O)c2ccc(C#N)nc2)C[C@H]1CO ZINC000065525809 351592099 /nfs/dbraw/zinc/59/20/99/351592099.db2.gz RMHSMZBWHZZZGT-NEPJUHHUSA-N 1 0 260.297 -0.252 50 30 CBEARO [NH2+]=C(NCC(=O)N1CCCC1)NC[C@H]1CCCO1 ZINC000058166010 351556654 /nfs/dbraw/zinc/55/66/54/351556654.db2.gz LYMQELNOFRPTNK-SNVBAGLBSA-N 1 0 254.334 -0.308 50 30 CBEARO CCS(=O)(=O)N(C)CCCNC(NC)=[NH+]C ZINC000075581900 351668924 /nfs/dbraw/zinc/66/89/24/351668924.db2.gz LYEDETLFYXULNX-UHFFFAOYSA-N 1 0 250.368 -0.547 50 30 CBEARO Cn1cc(C#N)cc1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000089901195 351735322 /nfs/dbraw/zinc/73/53/22/351735322.db2.gz ALFOPWIHUZHVQJ-CYBMUJFWSA-N 1 0 264.329 -0.061 50 30 CBEARO CCOC(=O)/C(C#N)=N/OC(N(C)C)=[N+]1CCOCC1 ZINC000098071660 351779814 /nfs/dbraw/zinc/77/98/14/351779814.db2.gz ADROLXVDPJSKRZ-GXDHUFHOSA-N 1 0 283.308 -0.594 50 30 CBEARO CN(CCC#N)S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000072277706 372767251 /nfs/dbraw/zinc/76/72/51/372767251.db2.gz JZCGFUCKFMZTIX-LLVKDONJSA-N 1 0 272.374 -0.143 50 30 CBEARO Nc1ccc[n+](CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000409415869 220551364 /nfs/dbraw/zinc/55/13/64/220551364.db2.gz NSDIUYYTWGYIQI-UHFFFAOYSA-N 1 0 273.272 -0.010 50 30 CBEARO CN(CCC#N)S(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000257365425 567927625 /nfs/dbraw/zinc/92/76/25/567927625.db2.gz JZCGFUCKFMZTIX-NSHDSACASA-N 1 0 272.374 -0.143 50 30 CBEARO N#C[C@@H]1C[NH2+]C[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000725376521 790819780 /nfs/dbraw/zinc/81/97/80/790819780.db2.gz XNKPCYHHSXKCKG-BDAKNGLRSA-N 1 0 296.308 -0.015 50 30 CBEARO N#C[C@H]1C[NH2+]C[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000725376523 790820064 /nfs/dbraw/zinc/82/00/64/790820064.db2.gz XNKPCYHHSXKCKG-IUCAKERBSA-N 1 0 296.308 -0.015 50 30 CBEARO O=C(C[n+]1cccc(/C=N/O)c1)N1CCOCC1 ZINC000001951129 351306901 /nfs/dbraw/zinc/30/69/01/351306901.db2.gz JWVHMVLLWMTFRN-MDWZMJQESA-O 1 0 250.278 -0.359 50 30 CBEARO C#CCOc1nc(OCC#C)nc(N2CC[NH2+]CC2)n1 ZINC000015080260 351340593 /nfs/dbraw/zinc/34/05/93/351340593.db2.gz AKVDWQYRPBAXHN-UHFFFAOYSA-N 1 0 273.296 -0.695 50 30 CBEARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccccc1C#N ZINC000067726121 351610800 /nfs/dbraw/zinc/61/08/00/351610800.db2.gz JAWBSAHZRAJFNT-JQWIXIFHSA-N 1 0 272.308 -0.154 50 30 CBEARO CNC(=[NH2+])NCCNS(=O)(=O)Cc1ccccc1 ZINC000058329453 351558483 /nfs/dbraw/zinc/55/84/83/351558483.db2.gz BZBDHEPTUZCXRS-UHFFFAOYSA-N 1 0 270.358 -0.360 50 30 CBEARO CN1CCO[C@@H](C[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000069843185 351632927 /nfs/dbraw/zinc/63/29/27/351632927.db2.gz GMMNOCPSPFCBTQ-JSGCOSHPSA-N 1 0 280.372 -0.285 50 30 CBEARO CN1CCO[C@@H](C[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000069843183 351633050 /nfs/dbraw/zinc/63/30/50/351633050.db2.gz GMMNOCPSPFCBTQ-GXTWGEPZSA-N 1 0 280.372 -0.285 50 30 CBEARO Cc1nc2n(n1)C[C@@H]([NH2+]CC(=O)N(C)CCC#N)CC2 ZINC000072268063 351645256 /nfs/dbraw/zinc/64/52/56/351645256.db2.gz OXPFPTBQNHTAFF-NSHDSACASA-N 1 0 276.344 -0.137 50 30 CBEARO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+]C[C@H]1CN(C)CCO1 ZINC000069569172 351630723 /nfs/dbraw/zinc/63/07/23/351630723.db2.gz FWOLAXMOMBFDLL-GXTWGEPZSA-N 1 0 282.388 -0.039 50 30 CBEARO Cc1cc(CNC(=[NH2+])N2CCOCC2)nc(N(C)C)n1 ZINC000190134410 352177130 /nfs/dbraw/zinc/17/71/30/352177130.db2.gz YSBYBMIESUTFEG-UHFFFAOYSA-N 1 0 278.360 -0.002 50 30 CBEARO CN(C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc(C#N)nc1 ZINC000195575287 352227941 /nfs/dbraw/zinc/22/79/41/352227941.db2.gz KLIMBLJYAXEKPD-OAHLLOKOSA-N 1 0 289.383 -0.002 50 30 CBEARO C#CCOCCOCCOCCOCCOCC[NH3+] ZINC000214946160 352230439 /nfs/dbraw/zinc/23/04/39/352230439.db2.gz BLBTXXAWMPTQOK-UHFFFAOYSA-N 1 0 275.345 -0.339 50 30 CBEARO CN(CCC#N)C(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000071878876 372765400 /nfs/dbraw/zinc/76/54/00/372765400.db2.gz DGTNZGFTAPYCRQ-GFCCVEGCSA-N 1 0 268.361 -0.379 50 30 CBEARO C#CC[NH+]1CCC(C(=O)NCCNC(=O)C2CC2)CC1 ZINC000049376042 372762215 /nfs/dbraw/zinc/76/22/15/372762215.db2.gz GISUNEDFBDONOQ-UHFFFAOYSA-N 1 0 277.368 -0.026 50 30 CBEARO C=CCNC(=O)[C@@H](C)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000229536716 220236993 /nfs/dbraw/zinc/23/69/93/220236993.db2.gz KGFNWSPJZDMYSH-NEPJUHHUSA-N 1 0 255.362 -0.061 50 30 CBEARO C[NH2+]CCCNC(=O)/C(=N/[O-])c1csc(N)[nH+]1 ZINC000007367654 170279495 /nfs/dbraw/zinc/27/94/95/170279495.db2.gz ASRYFOFVVBSTAS-VGOFMYFVSA-N 1 0 257.319 -0.371 50 30 CBEARO CCCCCCCC[NH2+]C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000043422681 175039070 /nfs/dbraw/zinc/03/90/70/175039070.db2.gz ZRRNJJURLBXWLL-REWJHTLYSA-N 1 0 293.404 -0.628 50 30 in-vitro CBEARO CN(C)C(ON1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O)=[N+](C)C ZINC000003096516 289036512 /nfs/dbraw/zinc/03/65/12/289036512.db2.gz GPBNVFDFVXCHMV-VLEAKVRGSA-N 1 0 278.332 -0.085 50 30 CBEARO CN(C)C(=[N+]1[N-][N+](=O)c2ncccc21)N1CCOCC1 ZINC000526058543 328820115 /nfs/dbraw/zinc/82/01/15/328820115.db2.gz JBBJACDCKZHHAO-UHFFFAOYSA-N 1 0 278.316 -0.913 50 30 CBEARO C=C(C)CN1CCN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)CC1 ZINC001506420639 921577816 /nfs/dbraw/zinc/57/78/16/921577816.db2.gz NZVNNRCZSKBNQS-LBPRGKRZSA-N 1 0 297.403 -0.518 50 30 CBEARO C=CCN1C(=O)C(=CNCCC[NH+](C)C)C(=O)NC1=S ZINC000002365458 351307708 /nfs/dbraw/zinc/30/77/08/351307708.db2.gz OVGKGWAVIOJURL-MDZDMXLPSA-N 1 0 296.396 -0.159 50 30 CBEARO Cn1c(NC2CC[NH+](C)CC2)c(C#N)c(=O)n(C)c1=O ZINC000054368373 351534550 /nfs/dbraw/zinc/53/45/50/351534550.db2.gz AKQFVKPABFKZDD-UHFFFAOYSA-N 1 0 277.328 -0.538 50 30 CBEARO C[NH+](C)C[C@H]1CN(CCC(=O)N(CC#N)CC#N)CCO1 ZINC000071878811 351644116 /nfs/dbraw/zinc/64/41/16/351644116.db2.gz JFCGBBJQKKMCRX-ZDUSSCGKSA-N 1 0 293.371 -0.485 50 30 CBEARO C=CCC[C@H](O)C[NH+]1CCN(CC(=O)NCCOC)CC1 ZINC000095966177 351772149 /nfs/dbraw/zinc/77/21/49/351772149.db2.gz MAIBDOGKDXUIAB-AWEZNQCLSA-N 1 0 299.415 -0.306 50 30 CBEARO Cn1cc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc1C#N ZINC000584885812 355041518 /nfs/dbraw/zinc/04/15/18/355041518.db2.gz UVSRGZWTKQSTMF-TXEJJXNPSA-N 1 0 272.308 -0.057 50 30 CBEARO C=CCNC(=O)CN1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000071864197 372765657 /nfs/dbraw/zinc/76/56/57/372765657.db2.gz GRLQATNACOUSSY-NWDGAFQWSA-N 1 0 255.362 -0.325 50 30 CBEARO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)N(C)CCC#N ZINC000075133353 372770147 /nfs/dbraw/zinc/77/01/47/372770147.db2.gz FYGOBQVZPGQLKH-VXGBXAGGSA-N 1 0 268.361 -0.333 50 30 CBEARO N#C[C@@H]1C[NH2+]C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000725374179 790819655 /nfs/dbraw/zinc/81/96/55/790819655.db2.gz ISUDDDVAQMZUJR-KCJUWKMLSA-N 1 0 296.308 -0.015 50 30 CBEARO N#C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000725376524 790820157 /nfs/dbraw/zinc/82/01/57/790820157.db2.gz XNKPCYHHSXKCKG-RKDXNWHRSA-N 1 0 296.308 -0.015 50 30 CBEARO N#Cc1c[nH]nc1NC(=O)C(=O)NCC[NH+]1CCCCC1 ZINC000012324045 351333015 /nfs/dbraw/zinc/33/30/15/351333015.db2.gz BQABVSGGJMHYMP-UHFFFAOYSA-N 1 0 290.327 -0.178 50 30 CBEARO C=CCNC(=O)[C@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000069847489 351633499 /nfs/dbraw/zinc/63/34/99/351633499.db2.gz KGFNWSPJZDMYSH-NWDGAFQWSA-N 1 0 255.362 -0.061 50 30 CBEARO CC(C)[C@](C)(C#N)NC(=O)C[NH2+]C[C@H]1CN(C)CCO1 ZINC000069569173 351630524 /nfs/dbraw/zinc/63/05/24/351630524.db2.gz FWOLAXMOMBFDLL-JSGCOSHPSA-N 1 0 282.388 -0.039 50 30 CBEARO CC[NH+]=C(NCCOC)NCCC(=O)NCCOC ZINC000069738828 351631730 /nfs/dbraw/zinc/63/17/30/351631730.db2.gz WGSOICUSIVEBOP-UHFFFAOYSA-N 1 0 274.365 -0.659 50 30 CBEARO CC(C)[C@@](C)([NH3+])CNc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000075612225 351668643 /nfs/dbraw/zinc/66/86/43/351668643.db2.gz DTGBCEOUWVIJMV-ZDUSSCGKSA-N 1 0 279.344 -0.259 50 30 CBEARO CN(C[C@H](O)CN1CC[NH+](C)CC1)c1ccc(C#N)nc1 ZINC000195575289 352227572 /nfs/dbraw/zinc/22/75/72/352227572.db2.gz KLIMBLJYAXEKPD-HNNXBMFYSA-N 1 0 289.383 -0.002 50 30 CBEARO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[NH2+][C@H](C)C1 ZINC000585137280 355046844 /nfs/dbraw/zinc/04/68/44/355046844.db2.gz QIFVIRGDEPVAQE-ZJUUUORDSA-N 1 0 260.363 -0.241 50 30 CBEARO C=CCNC(=O)[C@H](C)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000229536728 220237091 /nfs/dbraw/zinc/23/70/91/220237091.db2.gz KGFNWSPJZDMYSH-RYUDHWBXSA-N 1 0 255.362 -0.061 50 30 CBEARO COC(=O)c1cc(NC(=N)NC(N)=[NH2+])cc(C(=O)OC)c1 ZINC000018169298 351347740 /nfs/dbraw/zinc/34/77/40/351347740.db2.gz BPJJZRHMSVZFBN-UHFFFAOYSA-N 1 0 293.283 -0.521 50 30 CBEARO O=C(C[N+]12CN3CN(CN(C3)C1)C2)c1ccc(O)c(O)c1 ZINC000019319459 351348982 /nfs/dbraw/zinc/34/89/82/351348982.db2.gz JROCXKDUHUBRIB-UHFFFAOYSA-O 1 0 291.331 -0.211 50 30 CBEARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccccc1C#N ZINC000067841887 351612151 /nfs/dbraw/zinc/61/21/51/351612151.db2.gz JAWBSAHZRAJFNT-PWSUYJOCSA-N 1 0 272.308 -0.154 50 30 CBEARO COCCNC(=[NH2+])NCC(C)(C)N1CCOCC1 ZINC000058392868 351558386 /nfs/dbraw/zinc/55/83/86/351558386.db2.gz KVBNPOUYYQQGLE-UHFFFAOYSA-N 1 0 258.366 -0.352 50 30 CBEARO C=CCNC(=O)[C@@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000069847491 351633399 /nfs/dbraw/zinc/63/33/99/351633399.db2.gz KGFNWSPJZDMYSH-VXGBXAGGSA-N 1 0 255.362 -0.061 50 30 CBEARO CN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000072267984 351645591 /nfs/dbraw/zinc/64/55/91/351645591.db2.gz OJADLONBHNZWFF-LLVKDONJSA-N 1 0 254.334 -0.721 50 30 CBEARO C[C@H]1C[N@H+](C)CCN1CCC(=O)N(CC#N)CC#N ZINC000089939217 351734808 /nfs/dbraw/zinc/73/48/08/351734808.db2.gz GNMQBFQMROHXBT-LBPRGKRZSA-N 1 0 263.345 -0.112 50 30 CBEARO C[C@H](O)C[N@@H+]1CCN(CC(=O)N(C)CCC#N)C[C@H]1C ZINC000106868068 351793944 /nfs/dbraw/zinc/79/39/44/351793944.db2.gz YDSRRHZQXVCLPA-OLZOCXBDSA-N 1 0 282.388 -0.255 50 30 CBEARO NC(=O)c1cc[n+](COC[n+]2ccccc2/C=N/[O-])cc1 ZINC000000005077 169504441 /nfs/dbraw/zinc/50/44/41/169504441.db2.gz FJZDLOMCEPUCII-UHFFFAOYSA-P 1 0 288.307 -0.200 50 30 in-vitro CBEARO N#Cc1nccnc1N1C[C@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000670454795 544793090 /nfs/dbraw/zinc/79/30/90/544793090.db2.gz AOFKDHCBLLGVNG-RYUDHWBXSA-N 1 0 259.313 -0.006 50 30 CBEARO C[NH+](C)CCCNC(=O)C(=O)Nc1n[nH]cc1C#N ZINC000012324059 276784651 /nfs/dbraw/zinc/78/46/51/276784651.db2.gz YDYOSQOYABFUOY-UHFFFAOYSA-N 1 0 264.289 -0.712 50 30 CBEARO CC(C)(C)NC(=O)NC(=O)C[n+]1cccc(C(N)=O)c1 ZINC000007717080 277170643 /nfs/dbraw/zinc/17/06/43/277170643.db2.gz ACZJUIFLXNIEAC-UHFFFAOYSA-O 1 0 279.320 -0.303 50 30 CBEARO N#Cc1ccc(S(=O)(=O)NC2C[NH2+]C2)c(F)c1 ZINC000237715678 518196686 /nfs/dbraw/zinc/19/66/86/518196686.db2.gz PPTZZTVJXSVMMU-UHFFFAOYSA-N 1 0 255.274 -0.053 50 30 CBEARO C=CCn1c(NCC[NH+](C)C)nc2c1c(=O)[nH]c(=O)n2C ZINC000000079570 527331807 /nfs/dbraw/zinc/33/18/07/527331807.db2.gz VUKRSYBPQZQHKJ-UHFFFAOYSA-N 1 0 292.343 -0.417 50 30 CBEARO