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ZINC000330878244 220364828 /nfs/dbraw/zinc/36/48/28/220364828.db2.gz AABCDLNJKJLONI-UHFFFAOYSA-N 0 0 253.302 -0.003 50 30 CBEARN C=CCNC(=O)Cn1nnc2c(C)nn(CC)c2c1=O ZINC000096182358 256795036 /nfs/dbraw/zinc/79/50/36/256795036.db2.gz FIDZVFGFSYIOBQ-UHFFFAOYSA-N 0 0 276.300 -0.381 50 30 CBEARN O=C(ON1C(=O)CCC1=O)ON1C(=O)CCC1=O ZINC000000039222 304288524 /nfs/dbraw/zinc/28/85/24/304288524.db2.gz PFYXSUNOLOJMDX-UHFFFAOYSA-N 0 0 256.170 -0.732 50 30 CBEARN C=CCn1c(=O)n(CCC#N)c(=O)n(CCC#N)c1=O ZINC000002820000 169834327 /nfs/dbraw/zinc/83/43/27/169834327.db2.gz ZYXSWFOMIGSKSD-UHFFFAOYSA-N 0 0 275.268 -0.815 50 30 CBEARN C=CCNC(=S)NNC(=S)N1CCOCC1 ZINC000004547801 169982233 /nfs/dbraw/zinc/98/22/33/169982233.db2.gz HMEWUNQARPADSV-UHFFFAOYSA-N 0 0 260.388 -0.242 50 30 CBEARN COCCn1c(N=NC(C)C)nc2c1c(=O)[nH]c(=O)n2C ZINC000004786315 170017139 /nfs/dbraw/zinc/01/71/39/170017139.db2.gz MEZZHEYKPHVHHL-UHFFFAOYSA-N 0 0 294.315 -0.123 50 30 CBEARN N#Cc1cc([N+](=O)[O-])ccc1N1C[C@H](O)C[C@@H]1C(N)=O ZINC000005699321 170130423 /nfs/dbraw/zinc/13/04/23/170130423.db2.gz VVFWISDVTUBABS-MWLCHTKSSA-N 0 0 276.252 -0.109 50 30 CBEARN N#Cc1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000007216355 170272587 /nfs/dbraw/zinc/27/25/87/170272587.db2.gz JCEHCECLTHONLO-UHFFFAOYSA-N 0 0 265.294 -0.321 50 30 CBEARN C=CCOC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000008393428 170334782 /nfs/dbraw/zinc/33/47/82/170334782.db2.gz HJCWRFKGOUHCMV-UHFFFAOYSA-N 0 0 278.268 -0.837 50 30 CBEARN COCCOCCCNc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000009724989 170385156 /nfs/dbraw/zinc/38/51/56/170385156.db2.gz NGVVOMWHLZTEJE-UHFFFAOYSA-N 0 0 296.327 -0.579 50 30 CBEARN C#CCNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000040493764 174293493 /nfs/dbraw/zinc/29/34/93/174293493.db2.gz VTNBCWYEEADZAC-GFCCVEGCSA-N 0 0 270.292 -0.144 50 30 CBEARN C=C(C)C(C)(C)C(=O)N1CCN2C(=O)CNC(=O)[C@H]2C1 ZINC000065491144 419462002 /nfs/dbraw/zinc/46/20/02/419462002.db2.gz AFWHLYTWBBOMCA-SNVBAGLBSA-N 0 0 279.340 -0.242 50 30 CBEARN C=C[C@H](C)[C@@H](NCc1nc(N)nc(N(C)C)n1)C(=O)OC ZINC000583650792 420473967 /nfs/dbraw/zinc/47/39/67/420473967.db2.gz BGLYLTDGZVTAGG-WCBMZHEXSA-N 0 0 294.359 -0.027 50 30 CBEARN CN1c2ccccc2[C@@]2(C1=O)[C@]1(C#N)C(N)=NC(=O)[C@@]12C#N ZINC000035325268 260151380 /nfs/dbraw/zinc/15/13/80/260151380.db2.gz JZGSTRWUQIDVJV-QLFBSQMISA-N 0 0 291.270 -0.168 50 30 CBEARN C=CCN1C(=O)N[C@@]2(O)C(=O)c3ccccc3[C@]12O ZINC000000052880 275745001 /nfs/dbraw/zinc/74/50/01/275745001.db2.gz NQIRCSRKAXWQMR-CHWSQXEVSA-N 0 0 260.249 -0.072 50 30 CBEARN CCN1C(=O)N(C[C@@H]2CO2)[C@H]2[C@@H]1N(C)C(=O)N2C ZINC000004536319 279249405 /nfs/dbraw/zinc/24/94/05/279249405.db2.gz KSCIZIUSEJNNPB-HLTSFMKQSA-N 0 0 254.290 -0.208 50 30 CBEARN CC1=CC(=O)C(=CN2C(=O)CNC2=S)C(=O)O1 ZINC000005757605 281669793 /nfs/dbraw/zinc/66/97/93/281669793.db2.gz RYGVFJQMSITXMC-XQRVVYSFSA-N 0 0 252.251 -0.383 50 30 CBEARN CN1C(=O)N(C)[C@@H](O[N+](=O)[O-])[C@@](C)([N+](=O)[O-])C1=O ZINC000002235842 289843201 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C=CCN1C[C@@H](C(=O)NCC(=O)N2CCCC2)CC1=O ZINC000952961066 790934747 /nfs/dbraw/zinc/93/47/47/790934747.db2.gz FXMAXFKAGBCEMS-NSHDSACASA-N 0 0 279.340 -0.241 50 30 CBEARN CCOC(=O)[C@@](C)(O)CNS(=O)(=O)CCCC#N ZINC000095941951 185035694 /nfs/dbraw/zinc/03/56/94/185035694.db2.gz CCJHPJXJBWAHEZ-JTQLQIEISA-N 0 0 278.330 -0.476 50 30 CBEARN CCC[C@@](C)(NCC(=N)NOC(=O)COC)C(=O)OC ZINC000095945355 185038073 /nfs/dbraw/zinc/03/80/73/185038073.db2.gz ZUHIAYJLAZANHA-GFCCVEGCSA-N 0 0 289.332 -0.230 50 30 CBEARN CN(C)c1nc(N2CCOCC2)c(C#N)c(=O)o1 ZINC000001400763 282314354 /nfs/dbraw/zinc/31/43/54/282314354.db2.gz XDUPAXPHYCKDON-UHFFFAOYSA-N 0 0 250.258 -0.191 50 30 CBEARN CN(C)/C=N/C(=O)c1cnn([C@@H]2CCS(=O)(=O)C2)c1 ZINC000100334182 185712659 /nfs/dbraw/zinc/71/26/59/185712659.db2.gz RRCIFBBZHAGPAN-ZDIKFAODSA-N 0 0 284.341 -0.027 50 30 CBEARN COC(=O)C(C#N)=NNc1ccc(S(N)(=O)=O)cc1 ZINC000012403995 351334049 /nfs/dbraw/zinc/33/40/49/351334049.db2.gz LEWBHLIKQGJAPH-ZROIWOOFSA-N 0 0 282.281 -0.202 50 30 CBEARN COC(=O)C(C#N)=NNc1ccc(S(N)(=O)=O)cc1 ZINC000000358182 351300474 /nfs/dbraw/zinc/30/04/74/351300474.db2.gz LEWBHLIKQGJAPH-NTEUORMPSA-N 0 0 282.281 -0.202 50 30 CBEARN NC(=O)COc1ccc(/C=N/NC(N)=S)cc1 ZINC000000564316 351301659 /nfs/dbraw/zinc/30/16/59/351301659.db2.gz KBSCJUZOUXOAKM-WLRTZDKTSA-N 0 0 252.299 -0.282 50 30 CBEARN O=C1N/C(=N\c2cccc(O)c2)SC1(CO)CO ZINC000001312113 351302629 /nfs/dbraw/zinc/30/26/29/351302629.db2.gz IQQOUTSCORFYBZ-UHFFFAOYSA-N 0 0 268.294 -0.034 50 30 CBEARN N#Cc1ncn(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1 ZINC000012870286 351335019 /nfs/dbraw/zinc/33/50/19/351335019.db2.gz QIDIFTQMQPFNGX-UHFFFAOYSA-N 0 0 283.251 -0.042 50 30 CBEARN C=CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000001648247 351305022 /nfs/dbraw/zinc/30/50/22/351305022.db2.gz CUNHAYVBWYPKEL-UHFFFAOYSA-N 0 0 250.258 -0.465 50 30 CBEARN CS(=O)(=O)CCOC(=O)ON1C(=O)CCC1=O ZINC000001649497 351305042 /nfs/dbraw/zinc/30/50/42/351305042.db2.gz KSMLVLJMKBLJJL-UHFFFAOYSA-N 0 0 265.243 -0.752 50 30 CBEARN C=C(C)Cn1c(NCCCO)nc2c1c(=O)[nH]c(=O)n2C ZINC000001839752 351307181 /nfs/dbraw/zinc/30/71/81/351307181.db2.gz LZBAVAFMAZMNNR-UHFFFAOYSA-N 0 0 293.327 -0.206 50 30 CBEARN C=CCNC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O ZINC000012765402 351335156 /nfs/dbraw/zinc/33/51/56/351335156.db2.gz FACCVQQZNAEEHE-UHFFFAOYSA-N 0 0 299.352 -0.599 50 30 CBEARN N#Cc1cc([N+](=O)[O-])ccc1N1C[C@@H](O)C[C@H]1C(N)=O ZINC000013132112 351335266 /nfs/dbraw/zinc/33/52/66/351335266.db2.gz VVFWISDVTUBABS-ONGXEEELSA-N 0 0 276.252 -0.109 50 30 CBEARN COc1nc(OCC#N)nc(N2CCOCC2)n1 ZINC000002601340 351310413 /nfs/dbraw/zinc/31/04/13/351310413.db2.gz UEOOSGBDGXDDBQ-UHFFFAOYSA-N 0 0 251.246 -0.381 50 30 CBEARN C#CCOc1nc(OCC#C)nc(N2CCOCC2)n1 ZINC000003156756 351312775 /nfs/dbraw/zinc/31/27/75/351312775.db2.gz BVLADGMWHJMFLF-UHFFFAOYSA-N 0 0 274.280 -0.268 50 30 CBEARN Cn1c(NC[C@@H]2CCCO2)c(C#N)c(=O)n(C)c1=O ZINC000010213143 351328720 /nfs/dbraw/zinc/32/87/20/351328720.db2.gz XPKMNDVCRDKOMR-QMMMGPOBSA-N 0 0 264.285 -0.453 50 30 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